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 1p7z_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRSIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.279 176.300 -0.035 0.000 2.045 27 D CA 0.000 53.982 54.000 -0.029 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 28 S N 0.123 115.799 115.700 -0.040 0.000 2.855 28 S HA 0.362 4.876 4.470 0.073 0.000 0.249 28 S C 1.336 175.899 174.600 -0.061 0.000 1.033 28 S CA -0.274 57.899 58.200 -0.045 0.000 1.038 28 S CB -0.171 63.010 63.200 -0.032 0.000 0.960 28 S HN 0.121 nan 8.310 nan 0.000 0.548 29 L N 1.029 122.208 121.223 -0.073 0.000 2.095 29 L HA 0.278 4.662 4.340 0.073 0.000 0.204 29 L C 1.602 178.390 176.870 -0.136 0.000 1.080 29 L CA 0.613 55.403 54.840 -0.084 0.000 0.759 29 L CB -0.924 41.095 42.059 -0.066 0.000 0.914 29 L HN 0.400 nan 8.230 nan 0.000 0.439 30 A N 1.350 124.033 122.820 -0.228 0.000 2.498 30 A HA 0.260 4.624 4.320 0.073 0.000 0.239 30 A C -1.996 175.432 177.584 -0.260 0.000 1.068 30 A CA -0.936 50.834 52.037 -0.445 0.000 0.766 30 A CB -0.733 17.759 19.000 -0.846 0.000 1.003 30 A HN 0.058 nan 8.150 nan 0.000 0.497 31 P HA 0.083 nan 4.420 nan 0.000 0.269 31 P C 0.271 177.564 177.300 -0.012 0.000 1.209 31 P CA 0.013 63.085 63.100 -0.047 0.000 0.776 31 P CB 0.724 32.437 31.700 0.021 0.000 0.876 32 E N 1.732 121.932 120.200 -0.000 0.000 2.153 32 E HA -0.205 4.189 4.350 0.073 0.000 0.194 32 E C 1.175 177.800 176.600 0.041 0.000 0.988 32 E CA 1.590 57.999 56.400 0.015 0.000 0.811 32 E CB -0.507 29.196 29.700 0.006 0.000 0.746 32 E HN 0.525 nan 8.360 nan 0.000 0.466 33 D N -1.310 119.118 120.400 0.047 0.000 2.378 33 D HA 0.002 4.686 4.640 0.073 0.000 0.227 33 D C 1.226 177.574 176.300 0.079 0.000 1.012 33 D CA 0.874 54.905 54.000 0.051 0.000 0.905 33 D CB -0.477 40.346 40.800 0.038 0.000 0.895 33 D HN 0.227 nan 8.370 nan 0.000 0.532 34 G N 0.450 109.339 108.800 0.149 0.000 2.168 34 G HA2 -0.356 3.648 3.960 0.073 0.000 0.257 34 G HA3 -0.356 3.648 3.960 0.073 0.000 0.257 34 G C 0.955 175.930 174.900 0.124 0.000 0.997 34 G CA 0.914 46.140 45.100 0.209 0.000 0.708 34 G HN 0.728 nan 8.290 nan 0.000 0.520 35 S N 0.352 116.141 115.700 0.148 0.000 2.607 35 S HA -0.003 4.511 4.470 0.073 0.000 0.224 35 S C 1.881 176.539 174.600 0.097 0.000 0.969 35 S CA 1.020 59.266 58.200 0.076 0.000 0.927 35 S CB -0.492 62.744 63.200 0.060 0.000 0.772 35 S HN 0.914 nan 8.310 nan 0.000 0.533 36 H N 0.835 119.911 119.070 0.011 0.000 2.502 36 H HA 0.274 4.874 4.556 0.073 0.000 0.283 36 H C 0.836 176.176 175.328 0.019 0.000 1.015 36 H CA 0.235 56.290 56.048 0.012 0.000 1.298 36 H CB -0.309 29.460 29.762 0.011 0.000 1.411 36 H HN 0.364 nan 8.280 nan 0.000 0.556 37 R N 2.505 122.694 120.500 -0.518 0.000 2.294 37 R HA 0.339 4.723 4.340 0.073 0.000 0.319 37 R C -2.589 173.617 176.300 -0.157 0.000 0.984 37 R CA -1.990 53.885 56.100 -0.375 0.000 0.861 37 R CB 1.048 31.039 30.300 -0.515 0.000 1.104 37 R HN 0.104 nan 8.270 nan 0.000 0.451 38 P HA 0.153 nan 4.420 nan 0.000 0.275 38 P C -1.018 176.271 177.300 -0.019 0.000 1.227 38 P CA -0.454 62.633 63.100 -0.021 0.000 0.781 38 P CB 1.232 32.944 31.700 0.022 0.000 0.906 39 A N 2.951 125.765 122.820 -0.010 0.000 2.565 39 A HA 0.323 4.687 4.320 0.073 0.000 0.237 39 A C 1.012 178.603 177.584 0.011 0.000 1.053 39 A CA 0.207 52.241 52.037 -0.004 0.000 0.755 39 A CB -0.528 18.473 19.000 0.001 0.000 0.980 39 A HN 0.597 nan 8.150 nan 0.000 0.506 40 A N 3.414 126.240 122.820 0.010 0.000 3.077 40 A HA 0.488 4.852 4.320 0.073 0.000 0.255 40 A C 0.412 178.011 177.584 0.024 0.000 1.728 40 A CA 0.292 52.342 52.037 0.021 0.000 1.383 40 A CB -0.916 18.094 19.000 0.017 0.000 1.097 40 A HN 0.922 nan 8.150 nan 0.000 0.634 41 E N -0.741 119.476 120.200 0.027 0.000 2.401 41 E HA 0.429 4.823 4.350 0.073 0.000 0.280 41 E C -3.306 173.312 176.600 0.029 0.000 1.039 41 E CA -2.467 53.950 56.400 0.028 0.000 0.814 41 E CB 0.493 30.205 29.700 0.020 0.000 1.275 41 E HN 0.038 nan 8.360 nan 0.000 0.448 42 P HA 0.057 nan 4.420 nan 0.000 0.262 42 P C -0.809 176.492 177.300 0.001 0.000 1.199 42 P CA 0.480 63.589 63.100 0.015 0.000 0.763 42 P CB 0.365 32.064 31.700 -0.002 0.000 0.790 43 T N 1.470 116.020 114.554 -0.007 0.000 2.909 43 T HA 0.629 5.023 4.350 0.073 0.000 0.299 43 T C -2.945 171.714 174.700 -0.069 0.000 1.073 43 T CA -2.727 59.360 62.100 -0.021 0.000 0.999 43 T CB 1.744 70.609 68.868 -0.006 0.000 1.098 43 T HN 0.042 nan 8.240 nan 0.000 0.477 44 P HA 0.332 nan 4.420 nan 0.000 0.272 44 P C -2.769 174.388 177.300 -0.238 0.000 1.240 44 P CA -1.596 61.326 63.100 -0.298 0.000 0.791 44 P CB -0.991 30.564 31.700 -0.241 0.000 0.978 45 P HA 0.059 nan 4.420 nan 0.000 0.261 45 P C 1.049 178.306 177.300 -0.073 0.000 1.183 45 P CA 1.461 64.470 63.100 -0.151 0.000 0.761 45 P CB -0.378 31.241 31.700 -0.134 0.000 0.785 46 G N 2.978 111.762 108.800 -0.025 0.000 2.195 46 G HA2 -0.319 3.685 3.960 0.073 0.000 0.246 46 G HA3 -0.319 3.685 3.960 0.073 0.000 0.246 46 G C 1.104 176.002 174.900 -0.004 0.000 0.984 46 G CA 0.354 45.451 45.100 -0.005 0.000 0.633 46 G HN 0.655 nan 8.290 nan 0.000 0.525 47 A N -0.962 121.850 122.820 -0.014 0.000 1.930 47 A HA 0.437 4.801 4.320 0.073 0.000 0.215 47 A C 1.329 178.914 177.584 0.002 0.000 1.176 47 A CA 1.935 53.968 52.037 -0.007 0.000 0.632 47 A CB -0.000 18.990 19.000 -0.016 0.000 0.819 47 A HN 0.519 nan 8.150 nan 0.000 0.445 48 Q N -0.874 118.931 119.800 0.009 0.000 2.456 48 Q HA 0.439 4.823 4.340 0.073 0.000 0.283 48 Q C -2.981 173.035 176.000 0.027 0.000 1.084 48 Q CA -2.189 53.623 55.803 0.016 0.000 0.801 48 Q CB 0.938 29.689 28.738 0.020 0.000 1.434 48 Q HN 0.073 nan 8.270 nan 0.000 0.419 49 P HA 0.027 nan 4.420 nan 0.000 0.268 49 P C -0.159 177.174 177.300 0.056 0.000 1.204 49 P CA 0.069 63.186 63.100 0.028 0.000 0.768 49 P CB 0.198 31.912 31.700 0.024 0.000 0.842 50 T N -0.018 114.571 114.554 0.058 0.000 2.802 50 T HA 0.534 4.928 4.350 0.073 0.000 0.305 50 T C 0.108 174.903 174.700 0.159 0.000 1.053 50 T CA -0.395 61.793 62.100 0.145 0.000 1.058 50 T CB 0.499 69.395 68.868 0.047 0.000 0.988 50 T HN 0.584 nan 8.240 nan 0.000 0.539 51 A N 1.772 124.785 122.820 0.321 0.000 2.593 51 A HA 0.790 5.154 4.320 0.073 0.000 0.290 51 A C -3.036 174.818 177.584 0.450 0.000 1.126 51 A CA -2.092 50.110 52.037 0.274 0.000 0.695 51 A CB 0.587 19.695 19.000 0.181 0.000 1.290 51 A HN 0.656 nan 8.150 nan 0.000 0.414 52 P HA 0.132 nan 4.420 nan 0.000 0.264 52 P C 1.186 178.639 177.300 0.255 0.000 1.183 52 P CA 0.930 64.246 63.100 0.359 0.000 0.763 52 P CB 0.584 32.415 31.700 0.218 0.000 0.807 53 G N 2.309 111.213 108.800 0.174 0.000 2.469 53 G HA2 -0.289 3.715 3.960 0.073 0.000 0.220 53 G HA3 -0.289 3.715 3.960 0.073 0.000 0.220 53 G C 1.500 176.411 174.900 0.018 0.000 1.136 53 G CA 1.119 46.232 45.100 0.021 0.000 0.759 53 G HN 0.589 nan 8.290 nan 0.000 0.562 54 S N -0.267 115.449 115.700 0.028 0.000 2.522 54 S HA 0.200 4.714 4.470 0.073 0.000 0.227 54 S C 2.125 176.742 174.600 0.028 0.000 0.986 54 S CA 0.466 58.669 58.200 0.006 0.000 0.929 54 S CB -0.107 63.087 63.200 -0.010 0.000 0.769 54 S HN 0.315 nan 8.310 nan 0.000 0.529 55 L N -0.203 121.054 121.223 0.056 0.000 2.357 55 L HA 0.315 4.699 4.340 0.073 0.000 0.211 55 L C 2.587 179.488 176.870 0.053 0.000 1.075 55 L CA 0.596 55.469 54.840 0.055 0.000 0.830 55 L CB -0.314 41.787 42.059 0.070 0.000 0.996 55 L HN 0.230 nan 8.230 nan 0.000 0.467 56 K N 1.624 122.066 120.400 0.070 0.000 2.103 56 K HA 0.032 4.396 4.320 0.073 0.000 0.204 56 K C 0.674 177.301 176.600 0.045 0.000 1.052 56 K CA 1.296 57.624 56.287 0.068 0.000 0.945 56 K CB 0.119 32.674 32.500 0.092 0.000 0.722 56 K HN 0.150 nan 8.250 nan 0.000 0.443 57 A N 0.815 123.653 122.820 0.030 0.000 3.266 57 A HA 0.345 4.709 4.320 0.073 0.000 0.310 57 A C -2.209 175.378 177.584 0.004 0.000 1.066 57 A CA -0.993 51.057 52.037 0.023 0.000 0.839 57 A CB 0.728 19.744 19.000 0.026 0.000 1.192 57 A HN 0.155 nan 8.150 nan 0.000 0.496 58 P HA -0.113 nan 4.420 nan 0.000 0.223 58 P C 0.178 177.471 177.300 -0.011 0.000 1.151 58 P CA 1.089 64.187 63.100 -0.003 0.000 0.787 58 P CB 0.358 32.061 31.700 0.005 0.000 0.788 59 D N -0.601 119.797 120.400 -0.004 0.000 2.347 59 D HA 0.003 4.687 4.640 0.073 0.000 0.213 59 D C 0.433 176.720 176.300 -0.021 0.000 0.985 59 D CA 0.630 54.625 54.000 -0.009 0.000 0.879 59 D CB -0.401 40.401 40.800 0.003 0.000 0.919 59 D HN 0.147 nan 8.370 nan 0.000 0.526 60 T N 2.831 117.370 114.554 -0.026 0.000 2.834 60 T HA 0.231 4.625 4.350 0.073 0.000 0.298 60 T C 0.614 175.270 174.700 -0.073 0.000 0.966 60 T CA -0.242 61.828 62.100 -0.050 0.000 1.141 60 T CB 1.125 69.958 68.868 -0.059 0.000 0.905 60 T HN 0.124 nan 8.240 nan 0.000 0.535 61 R N 1.931 122.379 120.500 -0.086 0.000 2.799 61 R HA 0.618 5.002 4.340 0.073 0.000 0.270 61 R C -1.361 174.878 176.300 -0.101 0.000 1.010 61 R CA -0.979 55.066 56.100 -0.093 0.000 0.916 61 R CB 1.138 31.391 30.300 -0.078 0.000 1.228 61 R HN 0.727 nan 8.270 nan 0.000 0.469 62 N N -1.741 116.905 118.700 -0.091 0.000 2.934 62 N HA 0.108 4.892 4.740 0.073 0.000 0.253 62 N C 0.065 175.533 175.510 -0.070 0.000 1.466 62 N CA -0.667 52.342 53.050 -0.070 0.000 0.858 62 N CB 0.800 39.277 38.487 -0.016 0.000 1.459 62 N HN 0.713 nan 8.380 nan 0.000 0.532 63 E N -0.312 119.859 120.200 -0.048 0.000 2.118 63 E HA -0.274 4.120 4.350 0.073 0.000 0.195 63 E C 1.010 177.544 176.600 -0.109 0.000 0.992 63 E CA 1.445 57.812 56.400 -0.054 0.000 0.804 63 E CB 0.100 29.794 29.700 -0.011 0.000 0.741 63 E HN 0.499 nan 8.360 nan 0.000 0.458 64 K N 0.754 121.056 120.400 -0.164 0.000 2.031 64 K HA -0.076 4.288 4.320 0.073 0.000 0.205 64 K C 2.130 178.583 176.600 -0.245 0.000 1.049 64 K CA 1.117 57.215 56.287 -0.316 0.000 0.939 64 K CB -0.453 31.683 32.500 -0.606 0.000 0.717 64 K HN 0.162 nan 8.250 nan 0.000 0.438 65 L N 1.004 122.101 121.223 -0.211 0.000 2.079 65 L HA -0.228 4.156 4.340 0.073 0.000 0.210 65 L C 1.832 178.602 176.870 -0.166 0.000 1.081 65 L CA 1.333 56.029 54.840 -0.241 0.000 0.752 65 L CB -0.649 41.260 42.059 -0.251 0.000 0.896 65 L HN 0.259 nan 8.230 nan 0.000 0.433 66 N N -0.346 118.278 118.700 -0.127 0.000 2.188 66 N HA -0.141 4.643 4.740 0.073 0.000 0.184 66 N C 2.050 177.507 175.510 -0.088 0.000 1.018 66 N CA 1.640 54.634 53.050 -0.093 0.000 0.858 66 N CB -0.424 38.020 38.487 -0.071 0.000 0.989 66 N HN 0.369 nan 8.380 nan 0.000 0.426 67 S N 0.293 115.931 115.700 -0.103 0.000 2.515 67 S HA 0.083 4.597 4.470 0.073 0.000 0.231 67 S C 1.794 176.338 174.600 -0.094 0.000 0.987 67 S CA 0.215 58.361 58.200 -0.089 0.000 0.936 67 S CB -0.431 62.716 63.200 -0.089 0.000 0.766 67 S HN 0.215 nan 8.310 nan 0.000 0.528 68 L N 0.780 121.934 121.223 -0.116 0.000 2.478 68 L HA 0.107 4.491 4.340 0.073 0.000 0.223 68 L C 2.718 179.545 176.870 -0.073 0.000 1.140 68 L CA 0.775 55.553 54.840 -0.102 0.000 0.842 68 L CB -0.420 41.561 42.059 -0.129 0.000 0.953 68 L HN 0.308 nan 8.230 nan 0.000 0.452 69 E N 1.201 121.361 120.200 -0.067 0.000 2.118 69 E HA -0.268 4.126 4.350 0.073 0.000 0.195 69 E C 1.610 178.190 176.600 -0.033 0.000 0.992 69 E CA 1.713 58.085 56.400 -0.046 0.000 0.804 69 E CB -0.073 29.601 29.700 -0.042 0.000 0.741 69 E HN 0.591 nan 8.360 nan 0.000 0.458 70 D N -0.611 119.769 120.400 -0.033 0.000 2.309 70 D HA -0.134 4.550 4.640 0.073 0.000 0.212 70 D C 1.626 177.913 176.300 -0.023 0.000 0.968 70 D CA 1.360 55.344 54.000 -0.025 0.000 0.882 70 D CB -0.340 40.445 40.800 -0.025 0.000 0.918 70 D HN 0.305 nan 8.370 nan 0.000 0.503 71 V N -3.427 116.472 119.914 -0.025 0.000 3.643 71 V HA 0.324 4.488 4.120 0.073 0.000 0.280 71 V C 0.728 176.815 176.094 -0.012 0.000 1.351 71 V CA -0.683 61.607 62.300 -0.017 0.000 1.073 71 V CB -0.582 31.232 31.823 -0.015 0.000 0.863 71 V HN -0.152 nan 8.190 nan 0.000 0.436 72 R N 2.063 122.554 120.500 -0.015 0.000 2.491 72 R HA 0.484 4.868 4.340 0.073 0.000 0.283 72 R C -0.451 175.846 176.300 -0.005 0.000 1.072 72 R CA 0.039 56.137 56.100 -0.003 0.000 1.048 72 R CB 0.610 30.909 30.300 -0.001 0.000 0.983 72 R HN 0.431 nan 8.270 nan 0.000 0.450 73 K N 1.204 121.603 120.400 -0.002 0.000 2.292 73 K HA 0.310 4.674 4.320 0.073 0.000 0.257 73 K C 0.228 176.831 176.600 0.005 0.000 0.940 73 K CA -0.585 55.687 56.287 -0.025 0.000 0.811 73 K CB 2.299 34.770 32.500 -0.048 0.000 1.120 73 K HN 0.706 nan 8.250 nan 0.000 0.428 74 G N 0.346 109.156 108.800 0.016 0.000 2.504 74 G HA2 0.232 4.236 3.960 0.073 0.000 0.257 74 G HA3 0.232 4.236 3.960 0.073 0.000 0.257 74 G C 0.566 175.534 174.900 0.114 0.000 1.451 74 G CA 0.295 45.457 45.100 0.104 0.000 1.059 74 G HN 0.666 nan 8.290 nan 0.000 0.550 75 S N -2.817 113.039 115.700 0.260 0.000 2.707 75 S HA 0.083 4.597 4.470 0.073 0.000 0.224 75 S C 0.216 174.995 174.600 0.300 0.000 0.931 75 S CA -0.058 58.303 58.200 0.269 0.000 1.243 75 S CB -0.104 63.176 63.200 0.133 0.000 0.949 75 S HN 0.501 nan 8.310 nan 0.000 0.384 76 E N 2.938 123.243 120.200 0.174 0.000 2.452 76 E HA 0.262 4.656 4.350 0.073 0.000 0.261 76 E C -0.164 176.390 176.600 -0.077 0.000 0.987 76 E CA 0.370 56.805 56.400 0.058 0.000 0.926 76 E CB 0.054 29.773 29.700 0.031 0.000 0.934 76 E HN 0.405 nan 8.360 nan 0.000 0.452 77 N N 0.561 119.208 118.700 -0.088 0.000 2.863 77 N HA -0.224 4.560 4.740 0.073 0.000 0.245 77 N C -1.094 174.265 175.510 -0.251 0.000 1.001 77 N CA 1.185 54.125 53.050 -0.183 0.000 0.901 77 N CB -1.301 37.033 38.487 -0.255 0.000 1.124 77 N HN 0.375 nan 8.380 nan 0.000 0.582 78 Y N 0.584 120.890 120.300 0.009 0.000 2.419 78 Y HA 0.624 5.219 4.550 0.075 0.000 0.328 78 Y C 0.967 176.869 175.900 0.005 0.000 1.162 78 Y CA -0.491 57.614 58.100 0.007 0.000 1.174 78 Y CB 1.007 39.472 38.460 0.008 0.000 1.228 78 Y HN 0.115 nan 8.280 nan 0.000 0.473 79 A N 2.437 125.371 122.820 0.189 0.000 2.407 79 A HA 0.392 4.756 4.320 0.073 0.000 0.248 79 A C -0.734 176.902 177.584 0.086 0.000 1.082 79 A CA -0.521 51.577 52.037 0.103 0.000 0.785 79 A CB 0.080 19.126 19.000 0.075 0.000 1.020 79 A HN 0.725 nan 8.150 nan 0.000 0.489 80 L N 2.720 123.973 121.223 0.049 0.000 2.410 80 L HA 0.513 4.897 4.340 0.073 0.000 0.273 80 L C 0.638 177.516 176.870 0.014 0.000 1.144 80 L CA 1.179 56.034 54.840 0.024 0.000 0.863 80 L CB 0.395 42.461 42.059 0.010 0.000 1.140 80 L HN 0.940 nan 8.230 nan 0.000 0.463 81 T N 0.313 114.869 114.554 0.004 0.000 2.838 81 T HA 0.674 5.068 4.350 0.073 0.000 0.292 81 T C 0.157 174.856 174.700 -0.001 0.000 1.113 81 T CA -0.183 61.921 62.100 0.007 0.000 1.008 81 T CB 1.031 69.907 68.868 0.013 0.000 1.259 81 T HN 0.754 nan 8.240 nan 0.000 0.520 82 T N 0.140 114.706 114.554 0.020 0.000 2.732 82 T HA 0.278 4.672 4.350 0.073 0.000 0.287 82 T C 1.054 175.766 174.700 0.020 0.000 0.993 82 T CA -0.602 61.516 62.100 0.029 0.000 0.966 82 T CB -0.026 68.899 68.868 0.095 0.000 1.047 82 T HN 0.564 nan 8.240 nan 0.000 0.527 83 N N 0.497 119.209 118.700 0.021 0.000 2.453 83 N HA -0.068 4.716 4.740 0.073 0.000 0.183 83 N C 1.528 177.054 175.510 0.028 0.000 1.041 83 N CA 0.616 53.673 53.050 0.012 0.000 0.900 83 N CB -0.172 38.329 38.487 0.024 0.000 0.961 83 N HN 0.556 nan 8.380 nan 0.000 0.443 84 Q N -0.576 119.254 119.800 0.048 0.000 2.360 84 Q HA 0.208 4.592 4.340 0.073 0.000 0.202 84 Q C 0.729 176.751 176.000 0.036 0.000 0.915 84 Q CA 0.155 55.984 55.803 0.042 0.000 0.943 84 Q CB 0.451 29.221 28.738 0.053 0.000 1.064 84 Q HN 0.361 nan 8.270 nan 0.000 0.511 85 G N 0.704 109.524 108.800 0.033 0.000 2.137 85 G HA2 -0.232 3.772 3.960 0.073 0.000 0.237 85 G HA3 -0.232 3.772 3.960 0.073 0.000 0.237 85 G C 0.031 174.957 174.900 0.043 0.000 1.002 85 G CA 0.125 45.240 45.100 0.026 0.000 0.702 85 G HN 0.215 nan 8.290 nan 0.000 0.515 86 V N 1.289 121.244 119.914 0.069 0.000 2.498 86 V HA 0.378 4.542 4.120 0.073 0.000 0.279 86 V C 1.318 177.451 176.094 0.064 0.000 1.048 86 V CA -0.579 61.774 62.300 0.088 0.000 0.967 86 V CB 1.128 33.050 31.823 0.165 0.000 0.988 86 V HN 0.433 nan 8.190 nan 0.000 0.473 87 R N 4.258 124.789 120.500 0.052 0.000 2.590 87 R HA 0.406 4.790 4.340 0.073 0.000 0.274 87 R C -0.549 175.765 176.300 0.023 0.000 1.061 87 R CA -0.142 55.979 56.100 0.035 0.000 1.081 87 R CB 0.587 30.907 30.300 0.034 0.000 0.984 87 R HN 0.568 nan 8.270 nan 0.000 0.448 88 I N 1.761 122.333 120.570 0.003 0.000 2.359 88 I HA 0.142 4.356 4.170 0.073 0.000 0.294 88 I C 0.882 176.988 176.117 -0.018 0.000 0.987 88 I CA -0.020 61.266 61.300 -0.023 0.000 1.225 88 I CB 1.899 39.874 38.000 -0.042 0.000 1.366 88 I HN 0.779 nan 8.210 nan 0.000 0.466 89 A N 3.953 126.759 122.820 -0.023 0.000 1.956 89 A HA 0.037 4.401 4.320 0.073 0.000 0.212 89 A C 0.611 178.180 177.584 -0.024 0.000 1.188 89 A CA 0.788 52.815 52.037 -0.016 0.000 0.675 89 A CB 0.084 19.078 19.000 -0.010 0.000 0.845 89 A HN 0.676 nan 8.150 nan 0.000 0.455 90 D N -0.528 119.849 120.400 -0.037 0.000 2.469 90 D HA 0.343 5.027 4.640 0.073 0.000 0.251 90 D C -1.212 175.057 176.300 -0.051 0.000 1.173 90 D CA -0.349 53.627 54.000 -0.039 0.000 0.882 90 D CB 1.303 42.081 40.800 -0.037 0.000 1.129 90 D HN 0.049 nan 8.370 nan 0.000 0.549 91 D N 1.941 122.314 120.400 -0.046 0.000 2.358 91 D HA 0.034 4.718 4.640 0.073 0.000 0.224 91 D C 0.735 177.004 176.300 -0.052 0.000 1.123 91 D CA 0.327 54.296 54.000 -0.053 0.000 0.833 91 D CB 0.539 41.313 40.800 -0.044 0.000 0.946 91 D HN 0.239 nan 8.370 nan 0.000 0.505 92 Q N -0.611 119.160 119.800 -0.048 0.000 2.317 92 Q HA 0.256 4.640 4.340 0.073 0.000 0.220 92 Q C -0.122 175.849 176.000 -0.049 0.000 0.873 92 Q CA 0.252 56.027 55.803 -0.046 0.000 0.936 92 Q CB 0.712 29.427 28.738 -0.037 0.000 1.105 92 Q HN 0.192 nan 8.270 nan 0.000 0.520 93 N N 0.019 118.689 118.700 -0.051 0.000 2.242 93 N HA 0.314 5.098 4.740 0.073 0.000 0.292 93 N C -1.000 174.477 175.510 -0.056 0.000 1.125 93 N CA -0.263 52.758 53.050 -0.049 0.000 0.783 93 N CB 2.111 40.575 38.487 -0.039 0.000 1.558 93 N HN -0.182 nan 8.380 nan 0.000 0.472 94 S N 0.774 116.444 115.700 -0.050 0.000 2.601 94 S HA 0.295 4.809 4.470 0.073 0.000 0.271 94 S C 0.140 174.715 174.600 -0.041 0.000 1.305 94 S CA -0.585 57.585 58.200 -0.050 0.000 1.022 94 S CB 0.812 63.988 63.200 -0.039 0.000 0.940 94 S HN 0.381 nan 8.310 nan 0.000 0.525 95 L N 3.601 124.799 121.223 -0.040 0.000 2.360 95 L HA 0.409 4.793 4.340 0.073 0.000 0.276 95 L C 0.124 176.987 176.870 -0.012 0.000 1.121 95 L CA 0.509 55.334 54.840 -0.024 0.000 0.845 95 L CB -0.106 41.943 42.059 -0.017 0.000 1.143 95 L HN 0.746 nan 8.230 nan 0.000 0.452 96 R N 4.037 124.532 120.500 -0.009 0.000 2.799 96 R HA 0.849 5.232 4.340 0.073 0.000 0.270 96 R C -1.160 175.140 176.300 -0.001 0.000 1.010 96 R CA -0.852 55.245 56.100 -0.004 0.000 0.916 96 R CB 1.075 31.370 30.300 -0.008 0.000 1.228 96 R HN 0.573 nan 8.270 nan 0.000 0.469 97 A N 1.257 124.078 122.820 0.001 0.000 2.807 97 A HA 0.583 4.947 4.320 0.073 0.000 0.307 97 A C 0.597 178.182 177.584 0.000 0.000 1.532 97 A CA 0.320 52.359 52.037 0.003 0.000 1.215 97 A CB -0.973 18.030 19.000 0.005 0.000 1.127 97 A HN 1.222 nan 8.150 nan 0.000 0.543 98 G N 1.115 109.915 108.800 -0.001 0.000 2.705 98 G HA2 0.017 4.021 3.960 0.073 0.000 0.686 98 G HA3 0.017 4.021 3.960 0.073 0.000 0.686 98 G C 0.667 175.564 174.900 -0.005 0.000 1.285 98 G CA 0.037 45.136 45.100 -0.002 0.000 0.800 98 G HN 1.735 nan 8.290 nan 0.000 0.611 99 S N -0.080 115.616 115.700 -0.006 0.000 2.474 99 S HA -0.015 4.499 4.470 0.073 0.000 0.235 99 S C 1.600 176.195 174.600 -0.009 0.000 0.997 99 S CA 1.436 59.631 58.200 -0.009 0.000 0.949 99 S CB 0.101 63.296 63.200 -0.009 0.000 0.766 99 S HN 0.740 nan 8.310 nan 0.000 0.517 100 R N 0.912 121.408 120.500 -0.007 0.000 2.546 100 R HA 0.331 4.715 4.340 0.073 0.000 0.320 100 R C 0.934 177.231 176.300 -0.006 0.000 1.021 100 R CA 0.034 56.130 56.100 -0.007 0.000 1.088 100 R CB 0.749 31.045 30.300 -0.006 0.000 1.278 100 R HN 0.443 nan 8.270 nan 0.000 0.557 101 G N 1.681 110.478 108.800 -0.005 0.000 2.532 101 G HA2 0.343 4.347 3.960 0.073 0.000 0.291 101 G HA3 0.343 4.347 3.960 0.073 0.000 0.291 101 G C -2.376 172.521 174.900 -0.004 0.000 1.349 101 G CA -1.072 44.026 45.100 -0.003 0.000 1.038 101 G HN -0.097 nan 8.290 nan 0.000 0.518 102 P HA 0.198 nan 4.420 nan 0.000 0.275 102 P C -0.091 177.209 177.300 -0.000 0.000 1.227 102 P CA -0.031 63.069 63.100 -0.000 0.000 0.781 102 P CB 0.719 32.420 31.700 0.002 0.000 0.906 103 T N 3.162 117.715 114.554 -0.002 0.000 2.930 103 T HA 0.220 4.614 4.350 0.073 0.000 0.306 103 T C 0.566 175.269 174.700 0.006 0.000 1.045 103 T CA -0.040 62.059 62.100 -0.002 0.000 1.134 103 T CB -0.010 68.855 68.868 -0.005 0.000 0.961 103 T HN 0.192 nan 8.240 nan 0.000 0.545 104 L N 3.339 124.567 121.223 0.009 0.000 2.357 104 L HA 0.335 4.719 4.340 0.073 0.000 0.273 104 L C 1.403 178.289 176.870 0.028 0.000 1.080 104 L CA -0.807 54.044 54.840 0.019 0.000 0.803 104 L CB 0.789 42.862 42.059 0.023 0.000 1.174 104 L HN 0.500 nan 8.230 nan 0.000 0.443 105 L N 1.920 123.164 121.223 0.034 0.000 2.201 105 L HA -0.170 4.214 4.340 0.073 0.000 0.212 105 L C 2.315 179.225 176.870 0.066 0.000 1.105 105 L CA 1.578 56.444 54.840 0.043 0.000 0.775 105 L CB -0.563 41.519 42.059 0.038 0.000 0.913 105 L HN 0.793 nan 8.230 nan 0.000 0.440 106 E N -1.606 118.637 120.200 0.073 0.000 2.516 106 E HA -0.173 4.221 4.350 0.073 0.000 0.199 106 E C 0.229 176.933 176.600 0.172 0.000 1.069 106 E CA 0.220 56.689 56.400 0.116 0.000 0.876 106 E CB -0.483 29.277 29.700 0.100 0.000 0.843 106 E HN 0.351 nan 8.360 nan 0.000 0.530 107 D N 1.224 121.680 120.400 0.094 0.000 2.441 107 D HA -0.053 4.631 4.640 0.073 0.000 0.243 107 D C 0.384 176.700 176.300 0.028 0.000 1.257 107 D CA -0.397 53.616 54.000 0.022 0.000 1.027 107 D CB -0.100 40.683 40.800 -0.029 0.000 1.084 107 D HN 0.300 nan 8.370 nan 0.000 0.514 108 F N 2.114 122.071 119.950 0.013 0.000 2.456 108 F HA 0.126 4.695 4.527 0.070 0.000 0.298 108 F C 1.600 177.411 175.800 0.019 0.000 1.104 108 F CA 0.044 58.055 58.000 0.018 0.000 1.435 108 F CB -0.576 38.434 39.000 0.016 0.000 1.078 108 F HN 0.185 nan 8.300 nan 0.000 0.546 109 I N 0.370 120.510 120.570 -0.717 0.000 2.233 109 I HA -0.177 4.037 4.170 0.073 0.000 0.243 109 I C 2.459 178.460 176.117 -0.193 0.000 1.093 109 I CA 0.998 62.008 61.300 -0.485 0.000 1.380 109 I CB -0.468 37.198 38.000 -0.558 0.000 1.067 109 I HN 0.282 nan 8.210 nan 0.000 0.413 110 L N 1.134 122.261 121.223 -0.160 0.000 2.017 110 L HA -0.185 4.199 4.340 0.073 0.000 0.208 110 L C 2.646 179.505 176.870 -0.020 0.000 1.073 110 L CA 1.846 56.639 54.840 -0.078 0.000 0.745 110 L CB -0.534 41.487 42.059 -0.063 0.000 0.894 110 L HN 0.040 nan 8.230 nan 0.000 0.432 111 R N -0.563 119.944 120.500 0.012 0.000 2.096 111 R HA -0.175 4.209 4.340 0.073 0.000 0.235 111 R C 2.316 178.670 176.300 0.089 0.000 1.127 111 R CA 1.530 57.666 56.100 0.061 0.000 0.968 111 R CB -0.389 29.960 30.300 0.082 0.000 0.861 111 R HN 0.589 nan 8.270 nan 0.000 0.440 112 E N 1.177 121.432 120.200 0.091 0.000 2.051 112 E HA -0.244 4.150 4.350 0.073 0.000 0.192 112 E C 1.937 178.608 176.600 0.119 0.000 0.991 112 E CA 1.297 57.767 56.400 0.116 0.000 0.799 112 E CB 0.107 29.876 29.700 0.115 0.000 0.748 112 E HN 0.152 nan 8.360 nan 0.000 0.449 113 K N 0.219 120.658 120.400 0.066 0.000 2.026 113 K HA -0.140 4.224 4.320 0.073 0.000 0.208 113 K C 2.143 178.814 176.600 0.119 0.000 1.048 113 K CA 1.385 57.711 56.287 0.064 0.000 0.929 113 K CB -0.034 32.462 32.500 -0.008 0.000 0.713 113 K HN 0.144 nan 8.250 nan 0.000 0.439 114 I N 1.271 121.893 120.570 0.087 0.000 2.353 114 I HA -0.175 4.039 4.170 0.073 0.000 0.248 114 I C 2.151 178.390 176.117 0.204 0.000 1.119 114 I CA 1.302 62.675 61.300 0.121 0.000 1.417 114 I CB -1.424 36.608 38.000 0.054 0.000 1.078 114 I HN 0.238 nan 8.210 nan 0.000 0.421 115 T N -0.265 114.401 114.554 0.187 0.000 2.708 115 T HA -0.220 4.174 4.350 0.073 0.000 0.266 115 T C 1.966 176.842 174.700 0.294 0.000 1.037 115 T CA 1.420 63.663 62.100 0.239 0.000 1.146 115 T CB -0.412 68.585 68.868 0.216 0.000 0.865 115 T HN 0.351 nan 8.240 nan 0.000 0.435 116 H N -0.115 119.063 119.070 0.180 0.000 2.353 116 H HA -0.060 4.536 4.556 0.067 0.000 0.300 116 H C 2.196 177.601 175.328 0.129 0.000 1.090 116 H CA 1.539 57.676 56.048 0.148 0.000 1.327 116 H CB -0.388 29.434 29.762 0.099 0.000 1.383 116 H HN 0.424 nan 8.280 nan 0.000 0.508 117 F N 2.015 122.048 119.950 0.138 0.000 2.102 117 F HA -0.192 4.302 4.527 -0.055 0.000 0.298 117 F C 2.039 177.805 175.800 -0.057 0.000 1.105 117 F CA 1.697 59.722 58.000 0.041 0.000 1.239 117 F CB -0.303 38.709 39.000 0.020 0.000 0.991 117 F HN 0.045 nan 8.300 nan 0.000 0.474 118 D N -0.826 119.558 120.400 -0.026 0.000 2.182 118 D HA -0.183 4.501 4.640 0.073 0.000 0.201 118 D C 1.302 177.259 176.300 -0.571 0.000 0.986 118 D CA 1.359 55.169 54.000 -0.318 0.000 0.847 118 D CB -0.506 40.107 40.800 -0.311 0.000 0.942 118 D HN 0.504 nan 8.370 nan 0.000 0.467 119 H N 0.123 119.086 119.070 -0.179 0.000 2.550 119 H HA 0.212 4.847 4.556 0.131 0.000 0.304 119 H C 0.951 176.114 175.328 -0.274 0.000 1.086 119 H CA -0.010 55.917 56.048 -0.200 0.000 1.089 119 H CB 0.367 30.024 29.762 -0.175 0.000 1.528 119 H HN 0.316 nan 8.280 nan 0.000 0.539 120 E N 0.555 120.591 120.200 -0.273 0.000 2.158 120 E HA -0.013 4.381 4.350 0.073 0.000 0.191 120 E C 0.578 177.031 176.600 -0.246 0.000 0.982 120 E CA 0.337 56.550 56.400 -0.312 0.000 0.823 120 E CB 0.529 30.019 29.700 -0.351 0.000 0.766 120 E HN 0.207 nan 8.360 nan 0.000 0.468 121 R N 1.258 121.666 120.500 -0.153 0.000 2.500 121 R HA 0.399 4.783 4.340 0.073 0.000 0.275 121 R C 0.457 176.790 176.300 0.055 0.000 1.051 121 R CA -0.259 55.825 56.100 -0.027 0.000 1.088 121 R CB 0.820 31.092 30.300 -0.046 0.000 1.063 121 R HN 0.136 nan 8.270 nan 0.000 0.511 122 I N -1.562 119.094 120.570 0.143 0.000 2.892 122 I HA 0.543 4.757 4.170 0.073 0.000 0.306 122 I C -2.375 173.793 176.117 0.085 0.000 1.078 122 I CA -3.001 58.372 61.300 0.121 0.000 1.032 122 I CB 1.994 40.091 38.000 0.162 0.000 1.229 122 I HN 0.236 nan 8.210 nan 0.000 0.435 123 P HA 0.074 nan 4.420 nan 0.000 0.264 123 P C -0.787 176.535 177.300 0.037 0.000 1.193 123 P CA 0.065 63.184 63.100 0.032 0.000 0.763 123 P CB 0.389 32.098 31.700 0.015 0.000 0.810 124 E N 2.901 123.125 120.200 0.040 0.000 2.391 124 E HA 0.183 4.577 4.350 0.073 0.000 0.255 124 E C -0.424 176.196 176.600 0.033 0.000 1.187 124 E CA -0.840 55.590 56.400 0.050 0.000 0.941 124 E CB 0.591 30.324 29.700 0.056 0.000 1.010 124 E HN 0.257 nan 8.360 nan 0.000 0.458 125 R N 0.667 121.192 120.500 0.042 0.000 2.679 125 R HA 0.013 4.397 4.340 0.073 0.000 0.268 125 R C 1.356 177.678 176.300 0.036 0.000 1.044 125 R CA -0.420 55.698 56.100 0.031 0.000 1.105 125 R CB 0.257 30.591 30.300 0.057 0.000 0.989 125 R HN 0.573 nan 8.270 nan 0.000 0.447 126 I N 1.500 122.081 120.570 0.018 0.000 2.194 126 I HA -0.164 4.050 4.170 0.073 0.000 0.246 126 I C 1.209 177.365 176.117 0.065 0.000 1.093 126 I CA 1.662 62.982 61.300 0.033 0.000 1.355 126 I CB -1.012 37.006 38.000 0.030 0.000 1.046 126 I HN 0.413 nan 8.210 nan 0.000 0.413 127 V N -3.541 116.445 119.914 0.119 0.000 3.007 127 V HA 0.508 4.672 4.120 0.073 0.000 0.311 127 V C 0.333 176.598 176.094 0.284 0.000 1.120 127 V CA -0.848 61.562 62.300 0.183 0.000 0.980 127 V CB 1.870 33.884 31.823 0.318 0.000 1.033 127 V HN 0.430 nan 8.190 nan 0.000 0.429 128 H N 0.695 119.824 119.070 0.099 0.000 2.862 128 H HA -0.226 4.374 4.556 0.073 0.000 0.290 128 H C 1.552 176.924 175.328 0.073 0.000 1.211 128 H CA 0.785 56.888 56.048 0.090 0.000 1.140 128 H CB -1.185 28.622 29.762 0.077 0.000 1.341 128 H HN 1.199 nan 8.280 nan 0.000 0.392 129 A N 0.786 123.691 122.820 0.141 0.000 1.972 129 A HA -0.125 4.239 4.320 0.073 0.000 0.219 129 A C 1.743 179.412 177.584 0.141 0.000 1.169 129 A CA 1.379 53.488 52.037 0.119 0.000 0.635 129 A CB -0.095 18.954 19.000 0.081 0.000 0.810 129 A HN 0.251 nan 8.150 nan 0.000 0.446 130 R N 0.418 121.001 120.500 0.139 0.000 2.220 130 R HA 0.497 4.881 4.340 0.073 0.000 0.340 130 R C -0.135 176.287 176.300 0.203 0.000 1.076 130 R CA 0.627 56.828 56.100 0.168 0.000 0.920 130 R CB -0.016 30.368 30.300 0.140 0.000 1.062 130 R HN 0.325 nan 8.270 nan 0.000 0.469 131 G N 0.896 109.837 108.800 0.235 0.000 2.704 131 G HA2 0.520 4.524 3.960 0.073 0.000 0.293 131 G HA3 0.520 4.524 3.960 0.073 0.000 0.293 131 G C -1.558 173.486 174.900 0.240 0.000 1.421 131 G CA -0.591 44.616 45.100 0.179 0.000 0.870 131 G HN 0.473 nan 8.290 nan 0.000 0.492 132 S N -0.909 114.884 115.700 0.155 0.000 2.521 132 S HA 0.880 5.394 4.470 0.073 0.000 0.295 132 S C -0.039 174.565 174.600 0.008 0.000 1.098 132 S CA -0.231 58.111 58.200 0.237 0.000 0.999 132 S CB 1.736 65.188 63.200 0.420 0.000 1.034 132 S HN 1.419 nan 8.310 nan 0.000 0.483 133 A N 1.588 124.366 122.820 -0.069 0.000 2.485 133 A HA 1.044 5.408 4.320 0.073 0.000 0.292 133 A C -0.936 176.431 177.584 -0.361 0.000 1.147 133 A CA -0.785 51.000 52.037 -0.420 0.000 0.750 133 A CB 1.577 20.146 19.000 -0.718 0.000 1.331 133 A HN 1.381 nan 8.150 nan 0.000 0.419 134 A N 0.132 122.579 122.820 -0.621 0.000 2.604 134 A HA 0.674 5.037 4.320 0.073 0.000 0.295 134 A C -1.101 176.279 177.584 -0.340 0.000 1.067 134 A CA -0.666 51.183 52.037 -0.314 0.000 0.683 134 A CB 0.630 19.551 19.000 -0.131 0.000 1.281 134 A HN 0.875 nan 8.150 nan 0.000 0.407 135 H N -0.164 118.907 119.070 0.002 0.000 2.505 135 H HA 0.658 5.258 4.556 0.073 0.000 0.351 135 H C 0.677 176.005 175.328 0.000 0.000 1.151 135 H CA 0.995 57.109 56.048 0.111 0.000 1.339 135 H CB 1.773 31.606 29.762 0.119 0.000 1.483 135 H HN 1.154 nan 8.280 nan 0.000 0.558 136 G N 0.596 109.499 108.800 0.171 0.000 2.500 136 G HA2 0.366 4.370 3.960 0.073 0.000 0.299 136 G HA3 0.366 4.370 3.960 0.073 0.000 0.299 136 G C -2.054 172.992 174.900 0.243 0.000 1.242 136 G CA -0.685 44.482 45.100 0.113 0.000 0.859 136 G HN 0.641 nan 8.290 nan 0.000 0.481 137 Y N -1.900 118.444 120.300 0.073 0.000 2.609 137 Y HA 0.827 5.421 4.550 0.073 0.000 0.336 137 Y C -1.753 174.291 175.900 0.241 0.000 1.129 137 Y CA -1.860 56.330 58.100 0.150 0.000 1.040 137 Y CB 1.928 40.449 38.460 0.102 0.000 1.310 137 Y HN 0.772 nan 8.280 nan 0.000 0.460 138 F N 2.202 122.305 119.950 0.255 0.000 2.546 138 F HA 0.682 5.253 4.527 0.073 0.000 0.320 138 F C -1.149 174.848 175.800 0.329 0.000 1.076 138 F CA -0.599 57.558 58.000 0.263 0.000 0.928 138 F CB 2.321 41.622 39.000 0.502 0.000 1.189 138 F HN 0.770 nan 8.300 nan 0.000 0.465 139 Q N 6.901 126.156 119.800 -0.908 0.000 2.268 139 Q HA 0.442 4.826 4.340 0.073 0.000 0.266 139 Q C -2.874 172.449 176.000 -1.128 0.000 1.006 139 Q CA -2.440 52.965 55.803 -0.664 0.000 0.824 139 Q CB 2.960 31.604 28.738 -0.156 0.000 1.306 139 Q HN 0.324 nan 8.270 nan 0.000 0.424 140 P HA 0.044 nan 4.420 nan 0.000 0.275 140 P C -0.464 176.686 177.300 -0.250 0.000 1.228 140 P CA 0.185 63.030 63.100 -0.424 0.000 0.786 140 P CB 0.503 32.144 31.700 -0.099 0.000 0.927 141 Y N 1.112 121.349 120.300 -0.104 0.000 2.314 141 Y HA -0.077 4.517 4.550 0.074 0.000 0.293 141 Y C 1.510 177.383 175.900 -0.045 0.000 1.129 141 Y CA 0.556 58.618 58.100 -0.064 0.000 1.201 141 Y CB 0.195 38.626 38.460 -0.047 0.000 0.999 141 Y HN 0.367 nan 8.280 nan 0.000 0.541 142 K N -1.161 119.298 120.400 0.099 0.000 2.578 142 K HA 0.370 4.733 4.320 0.073 0.000 0.287 142 K C -0.995 175.611 176.600 0.011 0.000 1.010 142 K CA -0.938 55.379 56.287 0.051 0.000 0.889 142 K CB 1.467 34.000 32.500 0.054 0.000 1.514 142 K HN -0.249 nan 8.250 nan 0.000 0.424 143 S N 0.893 116.597 115.700 0.005 0.000 2.533 143 S HA 0.166 4.680 4.470 0.073 0.000 0.282 143 S C 0.428 175.019 174.600 -0.016 0.000 1.304 143 S CA -0.635 57.559 58.200 -0.010 0.000 1.063 143 S CB -0.186 63.011 63.200 -0.004 0.000 0.881 143 S HN 0.551 nan 8.310 nan 0.000 0.493 144 L N 4.746 125.949 121.223 -0.033 0.000 2.818 144 L HA 0.123 4.506 4.340 0.073 0.000 0.243 144 L C 2.036 178.891 176.870 -0.024 0.000 1.185 144 L CA -0.001 54.826 54.840 -0.021 0.000 0.988 144 L CB -0.213 41.838 42.059 -0.013 0.000 1.292 144 L HN 0.856 nan 8.230 nan 0.000 0.519 145 S N -1.666 114.017 115.700 -0.028 0.000 2.465 145 S HA -0.189 4.325 4.470 0.073 0.000 0.241 145 S C 1.245 175.829 174.600 -0.027 0.000 1.000 145 S CA 1.096 59.278 58.200 -0.030 0.000 0.964 145 S CB -0.195 62.991 63.200 -0.023 0.000 0.763 145 S HN 0.407 nan 8.310 nan 0.000 0.512 146 D N 2.137 122.526 120.400 -0.019 0.000 2.178 146 D HA 0.004 4.688 4.640 0.073 0.000 0.202 146 D C 1.887 178.170 176.300 -0.029 0.000 0.974 146 D CA 1.435 55.423 54.000 -0.020 0.000 0.841 146 D CB -0.213 40.581 40.800 -0.011 0.000 0.953 146 D HN 0.781 nan 8.370 nan 0.000 0.478 147 I N -3.549 117.006 120.570 -0.026 0.000 4.035 147 I HA 0.199 4.413 4.170 0.073 0.000 0.321 147 I C 0.467 176.543 176.117 -0.068 0.000 1.289 147 I CA 0.109 61.385 61.300 -0.041 0.000 1.236 147 I CB 1.035 39.029 38.000 -0.008 0.000 1.076 147 I HN -0.245 nan 8.210 nan 0.000 0.418 148 T N 1.619 116.137 114.554 -0.061 0.000 2.956 148 T HA 0.332 4.726 4.350 0.073 0.000 0.312 148 T C -0.089 174.562 174.700 -0.082 0.000 1.151 148 T CA -0.744 61.302 62.100 -0.089 0.000 1.024 148 T CB 1.776 70.584 68.868 -0.101 0.000 1.140 148 T HN 0.428 nan 8.240 nan 0.000 0.473 149 K N 2.466 122.816 120.400 -0.085 0.000 2.469 149 K HA 0.582 4.946 4.320 0.073 0.000 0.201 149 K C 0.663 177.230 176.600 -0.054 0.000 1.028 149 K CA -0.415 55.835 56.287 -0.062 0.000 1.170 149 K CB 0.251 32.718 32.500 -0.055 0.000 0.874 149 K HN 0.477 nan 8.250 nan 0.000 0.507 150 A N 2.004 124.774 122.820 -0.082 0.000 2.515 150 A HA -0.037 4.327 4.320 0.073 0.000 0.263 150 A C 0.568 178.130 177.584 -0.036 0.000 1.096 150 A CA -0.051 51.957 52.037 -0.049 0.000 0.769 150 A CB 0.062 19.006 19.000 -0.094 0.000 1.040 150 A HN 0.453 nan 8.150 nan 0.000 0.505 151 D N 2.301 122.746 120.400 0.076 0.000 2.133 151 D HA -0.259 4.425 4.640 0.073 0.000 0.195 151 D C 1.376 177.758 176.300 0.137 0.000 0.997 151 D CA 2.423 56.481 54.000 0.096 0.000 0.840 151 D CB -0.249 40.626 40.800 0.125 0.000 0.947 151 D HN 0.754 nan 8.370 nan 0.000 0.452 152 F N -0.735 119.235 119.950 0.034 0.000 2.546 152 F HA 0.130 4.701 4.527 0.074 0.000 0.298 152 F C 1.097 176.976 175.800 0.132 0.000 1.120 152 F CA 0.402 58.458 58.000 0.093 0.000 1.456 152 F CB -0.204 38.845 39.000 0.082 0.000 1.088 152 F HN -0.056 nan 8.300 nan 0.000 0.572 153 L N 0.858 121.751 121.223 -0.551 0.000 2.857 153 L HA 0.194 4.578 4.340 0.073 0.000 0.249 153 L C 1.790 178.566 176.870 -0.157 0.000 1.172 153 L CA 0.283 54.881 54.840 -0.404 0.000 0.980 153 L CB -0.036 41.686 42.059 -0.562 0.000 1.299 153 L HN 0.311 nan 8.230 nan 0.000 0.535 154 S N -2.322 113.331 115.700 -0.079 0.000 2.593 154 S HA 0.070 4.584 4.470 0.073 0.000 0.217 154 S C 0.264 174.861 174.600 -0.005 0.000 0.966 154 S CA -0.223 57.957 58.200 -0.033 0.000 0.914 154 S CB 0.043 63.237 63.200 -0.010 0.000 0.776 154 S HN 0.360 nan 8.310 nan 0.000 0.523 155 D N 0.459 120.863 120.400 0.008 0.000 2.795 155 D HA 0.246 4.930 4.640 0.073 0.000 0.206 155 D C -2.610 173.704 176.300 0.023 0.000 1.278 155 D CA -1.441 52.571 54.000 0.020 0.000 0.839 155 D CB 2.003 42.823 40.800 0.033 0.000 1.700 155 D HN -0.159 nan 8.370 nan 0.000 0.549 156 P HA -0.088 nan 4.420 nan 0.000 0.219 156 P C 0.706 178.022 177.300 0.027 0.000 1.146 156 P CA 0.775 63.887 63.100 0.020 0.000 0.808 156 P CB 0.475 32.196 31.700 0.036 0.000 0.779 157 N N -0.318 118.403 118.700 0.034 0.000 2.446 157 N HA -0.037 4.747 4.740 0.073 0.000 0.179 157 N C 0.815 176.356 175.510 0.053 0.000 1.054 157 N CA 0.463 53.536 53.050 0.038 0.000 0.905 157 N CB -0.168 38.339 38.487 0.033 0.000 0.973 157 N HN 0.276 nan 8.380 nan 0.000 0.448 158 K N 1.607 122.049 120.400 0.070 0.000 2.349 158 K HA 0.148 4.512 4.320 0.073 0.000 0.289 158 K C -0.378 176.314 176.600 0.154 0.000 1.064 158 K CA -0.314 56.038 56.287 0.109 0.000 0.947 158 K CB 0.252 32.828 32.500 0.126 0.000 1.007 158 K HN 0.043 nan 8.250 nan 0.000 0.478 159 I N 1.603 122.267 120.570 0.156 0.000 2.412 159 I HA 0.328 4.542 4.170 0.073 0.000 0.296 159 I C -0.890 175.397 176.117 0.285 0.000 0.987 159 I CA 0.159 61.588 61.300 0.216 0.000 1.180 159 I CB 2.202 40.290 38.000 0.145 0.000 1.340 159 I HN 0.343 nan 8.210 nan 0.000 0.455 160 T N 7.879 122.690 114.554 0.427 0.000 2.791 160 T HA 0.487 4.881 4.350 0.073 0.000 0.288 160 T C -2.606 172.364 174.700 0.450 0.000 0.999 160 T CA -1.115 61.260 62.100 0.459 0.000 0.952 160 T CB 1.221 70.463 68.868 0.622 0.000 0.938 160 T HN 0.470 nan 8.240 nan 0.000 0.444 161 P HA 0.222 nan 4.420 nan 0.000 0.266 161 P C -0.520 177.037 177.300 0.430 0.000 1.195 161 P CA -0.350 62.946 63.100 0.326 0.000 0.768 161 P CB 0.482 32.279 31.700 0.162 0.000 0.838 162 V N 0.105 120.212 119.914 0.321 0.000 3.102 162 V HA 0.748 4.912 4.120 0.073 0.000 0.312 162 V C -1.400 174.860 176.094 0.277 0.000 1.135 162 V CA -0.980 61.420 62.300 0.167 0.000 1.022 162 V CB 2.322 34.023 31.823 -0.203 0.000 1.056 162 V HN 0.316 nan 8.190 nan 0.000 0.436 163 F N 1.861 121.798 119.950 -0.022 0.000 2.562 163 F HA 0.838 5.408 4.527 0.073 0.000 0.319 163 F C -0.933 174.776 175.800 -0.151 0.000 1.154 163 F CA -0.654 57.275 58.000 -0.118 0.000 0.931 163 F CB 1.901 40.842 39.000 -0.098 0.000 1.198 163 F HN 0.531 nan 8.300 nan 0.000 0.444 164 V N 6.450 125.933 119.914 -0.718 0.000 2.604 164 V HA 0.587 4.751 4.120 0.073 0.000 0.305 164 V C -0.723 174.741 176.094 -1.051 0.000 1.043 164 V CA -0.874 60.941 62.300 -0.808 0.000 0.888 164 V CB 2.053 33.334 31.823 -0.903 0.000 0.995 164 V HN 0.715 nan 8.190 nan 0.000 0.429 165 R N 3.321 123.191 120.500 -1.051 0.000 2.439 165 R HA 0.618 5.002 4.340 0.073 0.000 0.310 165 R C -1.708 173.983 176.300 -1.015 0.000 0.955 165 R CA -0.427 55.146 56.100 -0.878 0.000 0.853 165 R CB 1.134 31.108 30.300 -0.543 0.000 1.171 165 R HN 0.563 nan 8.270 nan 0.000 0.449 166 F N 2.211 121.767 119.950 -0.658 0.000 2.422 166 F HA 0.513 5.083 4.527 0.073 0.000 0.333 166 F C 0.526 175.982 175.800 -0.573 0.000 1.095 166 F CA -0.138 57.352 58.000 -0.850 0.000 1.038 166 F CB 2.098 40.051 39.000 -1.746 0.000 1.156 166 F HN 0.606 nan 8.300 nan 0.000 0.483 167 S N -0.705 114.936 115.700 -0.098 0.000 2.643 167 S HA 0.682 5.195 4.470 0.073 0.000 0.270 167 S C -0.610 174.138 174.600 0.246 0.000 1.166 167 S CA -0.862 57.417 58.200 0.132 0.000 0.815 167 S CB 1.417 64.731 63.200 0.191 0.000 1.139 167 S HN 0.696 nan 8.310 nan 0.000 0.472 168 T N -1.669 113.012 114.554 0.210 0.000 2.888 168 T HA 0.712 5.106 4.350 0.073 0.000 0.283 168 T C 0.827 175.475 174.700 -0.086 0.000 1.013 168 T CA -0.249 61.934 62.100 0.140 0.000 0.938 168 T CB 0.558 69.512 68.868 0.143 0.000 1.298 168 T HN 0.553 nan 8.240 nan 0.000 0.580 169 V N 0.109 119.936 119.914 -0.146 0.000 2.735 169 V HA 0.068 4.232 4.120 0.073 0.000 0.234 169 V C 2.823 178.824 176.094 -0.155 0.000 1.121 169 V CA 0.525 62.612 62.300 -0.354 0.000 1.160 169 V CB -0.477 31.263 31.823 -0.138 0.000 0.908 169 V HN 0.884 nan 8.190 nan 0.000 0.495 170 Q N 1.081 120.831 119.800 -0.083 0.000 2.020 170 Q HA 0.016 4.400 4.340 0.073 0.000 0.198 170 Q C 1.351 177.320 176.000 -0.052 0.000 0.974 170 Q CA 1.511 57.267 55.803 -0.079 0.000 0.829 170 Q CB -0.637 28.038 28.738 -0.105 0.000 0.894 170 Q HN 0.580 nan 8.270 nan 0.000 0.433 171 G N -0.061 108.722 108.800 -0.029 0.000 2.690 171 G HA2 0.296 4.300 3.960 0.073 0.000 0.239 171 G HA3 0.296 4.300 3.960 0.073 0.000 0.239 171 G C 0.222 175.122 174.900 0.000 0.000 1.233 171 G CA 0.120 45.210 45.100 -0.017 0.000 0.847 171 G HN 0.384 nan 8.290 nan 0.000 0.588 172 G N -1.128 107.669 108.800 -0.005 0.000 2.621 172 G HA2 0.498 4.502 3.960 0.073 0.000 0.271 172 G HA3 0.498 4.502 3.960 0.073 0.000 0.271 172 G C 1.327 176.250 174.900 0.038 0.000 1.236 172 G CA 0.433 45.540 45.100 0.011 0.000 0.958 172 G HN 1.096 nan 8.290 nan 0.000 0.512 173 A N -0.904 121.949 122.820 0.055 0.000 2.019 173 A HA 0.114 4.478 4.320 0.073 0.000 0.219 173 A C 2.238 179.856 177.584 0.058 0.000 1.164 173 A CA 2.025 54.114 52.037 0.087 0.000 0.644 173 A CB -0.448 18.617 19.000 0.108 0.000 0.805 173 A HN 1.091 nan 8.150 nan 0.000 0.449 174 G N -0.260 108.555 108.800 0.025 0.000 3.189 174 G HA2 0.319 4.323 3.960 0.073 0.000 0.225 174 G HA3 0.319 4.323 3.960 0.073 0.000 0.225 174 G C 0.726 175.624 174.900 -0.004 0.000 1.159 174 G CA 0.660 45.760 45.100 0.000 0.000 0.763 174 G HN 0.660 nan 8.290 nan 0.000 0.549 175 S N -0.199 115.507 115.700 0.010 0.000 2.655 175 S HA 0.722 5.236 4.470 0.073 0.000 0.265 175 S C 0.435 175.045 174.600 0.016 0.000 1.240 175 S CA -0.129 58.073 58.200 0.003 0.000 0.986 175 S CB 1.580 64.782 63.200 0.004 0.000 0.985 175 S HN 0.539 nan 8.310 nan 0.000 0.562 176 A N 0.327 123.151 122.820 0.006 0.000 2.340 176 A HA 0.380 4.744 4.320 0.073 0.000 0.268 176 A C 0.695 178.293 177.584 0.024 0.000 1.100 176 A CA -0.587 51.450 52.037 0.000 0.000 0.803 176 A CB -0.123 18.858 19.000 -0.031 0.000 1.043 176 A HN 0.864 nan 8.150 nan 0.000 0.488 177 D N 0.863 121.270 120.400 0.011 0.000 2.103 177 D HA -0.087 4.597 4.640 0.073 0.000 0.199 177 D C 1.605 177.867 176.300 -0.063 0.000 0.978 177 D CA 2.293 56.307 54.000 0.024 0.000 0.829 177 D CB -0.233 40.548 40.800 -0.033 0.000 0.981 177 D HN 0.692 nan 8.370 nan 0.000 0.464 178 T N -0.119 114.322 114.554 -0.188 0.000 3.327 178 T HA 0.303 4.697 4.350 0.073 0.000 0.241 178 T C 0.793 175.464 174.700 -0.048 0.000 0.907 178 T CA -0.594 61.390 62.100 -0.194 0.000 0.931 178 T CB -0.926 67.743 68.868 -0.331 0.000 1.112 178 T HN -0.092 nan 8.240 nan 0.000 0.589 179 V N -1.208 118.732 119.914 0.044 0.000 3.319 179 V HA 0.462 4.626 4.120 0.073 0.000 0.303 179 V C 0.742 176.969 176.094 0.221 0.000 1.094 179 V CA -1.502 60.872 62.300 0.124 0.000 1.106 179 V CB 0.396 32.286 31.823 0.112 0.000 1.099 179 V HN 0.587 nan 8.190 nan 0.000 0.476 180 R N 1.383 122.075 120.500 0.321 0.000 2.248 180 R HA 0.568 4.952 4.340 0.073 0.000 0.328 180 R C -0.296 176.107 176.300 0.171 0.000 1.067 180 R CA 0.492 56.758 56.100 0.276 0.000 0.924 180 R CB 0.411 30.831 30.300 0.201 0.000 1.013 180 R HN 1.105 nan 8.270 nan 0.000 0.454 181 S N 4.724 120.534 115.700 0.184 0.000 2.567 181 S HA 0.352 4.866 4.470 0.073 0.000 0.270 181 S C -0.723 174.005 174.600 0.214 0.000 1.152 181 S CA -0.963 57.336 58.200 0.164 0.000 0.835 181 S CB 0.827 64.111 63.200 0.139 0.000 1.115 181 S HN 0.442 nan 8.310 nan 0.000 0.459 182 I N 2.991 123.704 120.570 0.237 0.000 2.836 182 I HA 0.378 4.592 4.170 0.073 0.000 0.285 182 I C 0.609 176.881 176.117 0.258 0.000 1.174 182 I CA -0.027 61.425 61.300 0.252 0.000 1.405 182 I CB 0.271 38.446 38.000 0.291 0.000 1.385 182 I HN 0.596 nan 8.210 nan 0.000 0.594 183 R N 3.014 123.687 120.500 0.289 0.000 2.637 183 R HA 0.541 4.925 4.340 0.073 0.000 0.291 183 R C -0.071 176.437 176.300 0.346 0.000 0.963 183 R CA -0.736 55.552 56.100 0.313 0.000 0.901 183 R CB 1.579 32.083 30.300 0.339 0.000 1.160 183 R HN 0.801 nan 8.270 nan 0.000 0.457 184 G N 0.931 109.954 108.800 0.371 0.000 2.448 184 G HA2 0.473 4.476 3.960 0.073 0.000 0.285 184 G HA3 0.473 4.476 3.960 0.073 0.000 0.285 184 G C -1.252 173.742 174.900 0.157 0.000 1.176 184 G CA -0.047 45.237 45.100 0.306 0.000 0.852 184 G HN 0.360 nan 8.290 nan 0.000 0.530 185 F N 1.515 121.377 119.950 -0.148 0.000 3.034 185 F HA 0.633 5.204 4.527 0.073 0.000 0.371 185 F C -0.255 175.252 175.800 -0.490 0.000 1.233 185 F CA -1.752 56.051 58.000 -0.329 0.000 1.134 185 F CB 0.985 39.909 39.000 -0.126 0.000 1.495 185 F HN 0.680 nan 8.300 nan 0.000 0.563 186 A N 3.270 125.814 122.820 -0.460 0.000 2.318 186 A HA 0.829 5.193 4.320 0.073 0.000 0.324 186 A C -0.691 176.445 177.584 -0.748 0.000 1.170 186 A CA -0.483 51.124 52.037 -0.717 0.000 0.810 186 A CB 1.026 19.219 19.000 -1.345 0.000 1.198 186 A HN 0.540 nan 8.150 nan 0.000 0.484 187 T N 2.126 116.394 114.554 -0.476 0.000 2.840 187 T HA 0.411 4.805 4.350 0.073 0.000 0.287 187 T C -0.481 174.011 174.700 -0.345 0.000 0.991 187 T CA -0.492 61.338 62.100 -0.450 0.000 0.964 187 T CB 1.121 69.647 68.868 -0.571 0.000 0.954 187 T HN 0.644 nan 8.240 nan 0.000 0.438 188 K N 3.413 123.685 120.400 -0.213 0.000 2.293 188 K HA 0.488 4.852 4.320 0.073 0.000 0.267 188 K C -1.336 174.902 176.600 -0.604 0.000 1.010 188 K CA -0.630 55.444 56.287 -0.355 0.000 0.875 188 K CB 0.438 32.688 32.500 -0.417 0.000 1.106 188 K HN 0.408 nan 8.250 nan 0.000 0.450 189 F N 4.444 124.096 119.950 -0.497 0.000 2.361 189 F HA 0.248 4.820 4.527 0.074 0.000 0.364 189 F C -0.499 175.077 175.800 -0.373 0.000 1.120 189 F CA -0.637 57.133 58.000 -0.383 0.000 1.102 189 F CB 0.708 39.406 39.000 -0.503 0.000 1.183 189 F HN 0.452 nan 8.300 nan 0.000 0.476 190 Y N 1.847 122.202 120.300 0.092 0.000 2.714 190 Y HA 0.224 4.817 4.550 0.072 0.000 0.333 190 Y C 1.036 176.991 175.900 0.091 0.000 1.220 190 Y CA -0.898 57.237 58.100 0.059 0.000 1.513 190 Y CB -0.246 38.240 38.460 0.043 0.000 1.435 190 Y HN 0.533 nan 8.280 nan 0.000 0.489 191 T N -2.496 112.148 114.554 0.150 0.000 2.847 191 T HA 0.192 4.586 4.350 0.073 0.000 0.279 191 T C 0.886 175.673 174.700 0.144 0.000 0.984 191 T CA -0.734 61.457 62.100 0.153 0.000 0.988 191 T CB 1.087 70.010 68.868 0.092 0.000 1.040 191 T HN 0.634 nan 8.240 nan 0.000 0.528 192 E N -0.148 120.141 120.200 0.148 0.000 2.502 192 E HA 0.025 4.419 4.350 0.073 0.000 0.194 192 E C 0.842 177.502 176.600 0.101 0.000 1.062 192 E CA 0.409 56.881 56.400 0.119 0.000 0.867 192 E CB 0.155 29.922 29.700 0.112 0.000 0.888 192 E HN 0.730 nan 8.360 nan 0.000 0.510 193 E N 0.361 120.620 120.200 0.099 0.000 2.734 193 E HA 0.265 4.659 4.350 0.073 0.000 0.211 193 E C 0.147 176.783 176.600 0.061 0.000 0.991 193 E CA -0.280 56.170 56.400 0.084 0.000 1.065 193 E CB 1.429 31.183 29.700 0.089 0.000 1.047 193 E HN 0.178 nan 8.360 nan 0.000 0.470 194 G N 1.210 110.040 108.800 0.050 0.000 2.362 194 G HA2 -0.073 3.931 3.960 0.073 0.000 0.656 194 G HA3 -0.073 3.931 3.960 0.073 0.000 0.656 194 G C -0.982 173.910 174.900 -0.015 0.000 1.376 194 G CA -1.104 44.000 45.100 0.006 0.000 0.971 194 G HN 0.013 nan 8.290 nan 0.000 0.636 195 I N 0.826 121.351 120.570 -0.075 0.000 2.496 195 I HA 0.385 4.599 4.170 0.073 0.000 0.285 195 I C -0.002 176.099 176.117 -0.027 0.000 1.080 195 I CA 0.001 61.227 61.300 -0.123 0.000 1.404 195 I CB 0.901 38.756 38.000 -0.242 0.000 1.403 195 I HN 0.469 nan 8.210 nan 0.000 0.539 196 F N 6.782 126.612 119.950 -0.200 0.000 2.427 196 F HA 0.449 5.020 4.527 0.074 0.000 0.348 196 F C -0.627 175.137 175.800 -0.060 0.000 1.125 196 F CA -1.297 56.589 58.000 -0.190 0.000 0.989 196 F CB 0.774 39.519 39.000 -0.426 0.000 1.165 196 F HN 0.332 nan 8.300 nan 0.000 0.442 197 D N 6.851 127.130 120.400 -0.202 0.000 2.280 197 D HA 0.253 4.937 4.640 0.073 0.000 0.236 197 D C -0.623 175.278 176.300 -0.665 0.000 1.082 197 D CA 0.054 53.855 54.000 -0.331 0.000 0.834 197 D CB 2.299 43.078 40.800 -0.036 0.000 1.100 197 D HN 0.647 nan 8.370 nan 0.000 0.486 198 L N 3.399 124.177 121.223 -0.741 0.000 2.297 198 L HA 0.260 4.644 4.340 0.073 0.000 0.277 198 L C -0.926 175.745 176.870 -0.331 0.000 1.040 198 L CA -0.639 53.809 54.840 -0.653 0.000 0.867 198 L CB 0.689 42.391 42.059 -0.596 0.000 1.244 198 L HN 0.051 nan 8.230 nan 0.000 0.433 199 V N 4.962 124.733 119.914 -0.239 0.000 2.270 199 V HA 0.505 4.669 4.120 0.073 0.000 0.263 199 V C 0.812 176.836 176.094 -0.116 0.000 1.066 199 V CA -0.266 61.906 62.300 -0.214 0.000 0.857 199 V CB 0.463 32.143 31.823 -0.238 0.000 1.099 199 V HN 0.793 nan 8.190 nan 0.000 0.476 200 G N 3.426 112.167 108.800 -0.099 0.000 3.108 200 G HA2 0.664 4.668 3.960 0.073 0.000 0.268 200 G HA3 0.664 4.668 3.960 0.073 0.000 0.268 200 G C -0.931 174.011 174.900 0.070 0.000 1.361 200 G CA -0.622 44.473 45.100 -0.009 0.000 1.047 200 G HN 0.478 nan 8.290 nan 0.000 0.540 201 N N -0.987 117.803 118.700 0.148 0.000 2.966 201 N HA 0.263 5.046 4.740 0.073 0.000 0.314 201 N C 0.291 175.994 175.510 0.323 0.000 1.397 201 N CA -0.737 52.461 53.050 0.247 0.000 0.776 201 N CB 1.316 39.947 38.487 0.240 0.000 1.576 201 N HN 0.524 nan 8.380 nan 0.000 0.592 202 N N -1.367 117.543 118.700 0.349 0.000 2.268 202 N HA 0.010 4.794 4.740 0.073 0.000 0.204 202 N C -0.653 175.140 175.510 0.472 0.000 1.124 202 N CA -0.095 53.208 53.050 0.422 0.000 0.838 202 N CB -0.136 38.575 38.487 0.372 0.000 0.994 202 N HN 0.532 nan 8.380 nan 0.000 0.489 203 T N -3.531 111.145 114.554 0.204 0.000 2.900 203 T HA 0.424 4.818 4.350 0.073 0.000 0.295 203 T C -2.489 171.691 174.700 -0.867 0.000 1.044 203 T CA -1.592 60.240 62.100 -0.447 0.000 0.995 203 T CB 2.993 71.466 68.868 -0.659 0.000 1.072 203 T HN -0.277 nan 8.240 nan 0.000 0.473 204 P HA 0.096 nan 4.420 nan 0.000 0.230 204 P C 0.646 177.395 177.300 -0.918 0.000 1.158 204 P CA 0.419 62.572 63.100 -1.579 0.000 0.769 204 P CB -0.044 30.710 31.700 -1.577 0.000 0.807 205 I N -4.907 115.103 120.570 -0.933 0.000 3.239 205 I HA 0.525 4.739 4.170 0.073 0.000 0.314 205 I C -0.883 174.960 176.117 -0.456 0.000 1.126 205 I CA -1.982 58.933 61.300 -0.642 0.000 0.973 205 I CB 1.176 38.735 38.000 -0.734 0.000 1.252 205 I HN -0.251 nan 8.210 nan 0.000 0.463 206 F N 0.344 120.017 119.950 -0.460 0.000 2.518 206 F HA 0.480 5.051 4.527 0.073 0.000 0.338 206 F C 0.543 176.116 175.800 -0.377 0.000 1.065 206 F CA -0.686 57.095 58.000 -0.364 0.000 1.012 206 F CB 1.770 40.670 39.000 -0.165 0.000 1.297 206 F HN 0.376 nan 8.300 nan 0.000 0.489 207 F N 1.892 121.145 119.950 -1.161 0.000 2.293 207 F HA 0.064 4.635 4.527 0.073 0.000 0.297 207 F C 0.667 176.208 175.800 -0.431 0.000 1.089 207 F CA 0.678 58.170 58.000 -0.845 0.000 1.377 207 F CB -0.043 38.048 39.000 -1.515 0.000 1.051 207 F HN 0.115 nan 8.300 nan 0.000 0.511 208 I N -3.103 117.455 120.570 -0.021 0.000 2.957 208 I HA 0.370 4.584 4.170 0.073 0.000 0.310 208 I C 0.420 176.672 176.117 0.224 0.000 1.063 208 I CA -0.826 60.559 61.300 0.141 0.000 1.033 208 I CB 1.839 39.971 38.000 0.219 0.000 1.230 208 I HN -0.125 nan 8.210 nan 0.000 0.447 209 Q N 0.439 120.374 119.800 0.226 0.000 2.259 209 Q HA 0.112 4.496 4.340 0.073 0.000 0.201 209 Q C -0.234 175.930 176.000 0.274 0.000 0.938 209 Q CA 0.715 56.692 55.803 0.289 0.000 0.872 209 Q CB 0.382 29.355 28.738 0.390 0.000 0.971 209 Q HN 0.665 nan 8.270 nan 0.000 0.494 210 D N -1.278 119.255 120.400 0.223 0.000 2.481 210 D HA 0.317 5.000 4.640 0.073 0.000 0.244 210 D C 0.014 176.433 176.300 0.199 0.000 1.057 210 D CA -0.211 53.893 54.000 0.173 0.000 0.848 210 D CB 1.840 42.714 40.800 0.123 0.000 1.388 210 D HN 0.035 nan 8.370 nan 0.000 0.475 211 A N 3.190 126.099 122.820 0.147 0.000 1.978 211 A HA -0.239 4.125 4.320 0.073 0.000 0.220 211 A C 1.825 179.521 177.584 0.186 0.000 1.170 211 A CA 1.780 53.897 52.037 0.133 0.000 0.636 211 A CB -0.834 18.192 19.000 0.043 0.000 0.810 211 A HN 0.824 nan 8.150 nan 0.000 0.448 212 H N 0.069 119.192 119.070 0.088 0.000 2.460 212 H HA -0.049 4.551 4.556 0.074 0.000 0.297 212 H C 1.552 176.953 175.328 0.122 0.000 1.103 212 H CA 1.942 58.037 56.048 0.078 0.000 1.292 212 H CB 0.090 29.876 29.762 0.041 0.000 1.376 212 H HN 0.390 nan 8.280 nan 0.000 0.531 213 K N -0.602 119.927 120.400 0.216 0.000 2.404 213 K HA -0.042 4.322 4.320 0.073 0.000 0.194 213 K C 1.470 178.206 176.600 0.227 0.000 1.023 213 K CA 0.011 56.426 56.287 0.213 0.000 1.094 213 K CB 0.049 32.729 32.500 0.299 0.000 0.841 213 K HN 0.302 nan 8.250 nan 0.000 0.523 214 F N 3.215 123.215 119.950 0.084 0.000 2.065 214 F HA -0.170 4.400 4.527 0.072 0.000 0.298 214 F C -0.944 174.868 175.800 0.019 0.000 1.112 214 F CA 1.505 59.574 58.000 0.115 0.000 1.212 214 F CB -0.520 38.536 39.000 0.094 0.000 0.975 214 F HN 0.026 nan 8.300 nan 0.000 0.476 215 P HA -0.143 nan 4.420 nan 0.000 0.218 215 P C 0.939 177.937 177.300 -0.504 0.000 1.148 215 P CA 1.730 64.600 63.100 -0.384 0.000 0.822 215 P CB -0.099 31.396 31.700 -0.341 0.000 0.784 216 D N -1.190 119.052 120.400 -0.263 0.000 2.077 216 D HA -0.140 4.544 4.640 0.073 0.000 0.196 216 D C 1.847 177.864 176.300 -0.472 0.000 0.986 216 D CA 0.984 54.866 54.000 -0.196 0.000 0.829 216 D CB -0.919 39.939 40.800 0.096 0.000 0.983 216 D HN 0.126 nan 8.370 nan 0.000 0.453 217 F N 2.016 121.529 119.950 -0.729 0.000 2.069 217 F HA -0.261 4.310 4.527 0.073 0.000 0.298 217 F C 2.303 177.711 175.800 -0.655 0.000 1.113 217 F CA 1.314 58.692 58.000 -1.037 0.000 1.214 217 F CB -0.252 38.381 39.000 -0.612 0.000 0.978 217 F HN -0.242 nan 8.300 nan 0.000 0.474 218 V N 0.338 119.865 119.914 -0.646 0.000 2.295 218 V HA -0.353 3.811 4.120 0.073 0.000 0.246 218 V C 2.293 178.178 176.094 -0.347 0.000 1.049 218 V CA 2.473 64.426 62.300 -0.579 0.000 1.024 218 V CB -1.115 30.376 31.823 -0.554 0.000 0.648 218 V HN 0.480 nan 8.190 nan 0.000 0.447 219 H N -0.119 118.734 119.070 -0.361 0.000 2.353 219 H HA -0.182 4.418 4.556 0.073 0.000 0.298 219 H C 2.325 177.506 175.328 -0.245 0.000 1.103 219 H CA 1.149 57.058 56.048 -0.232 0.000 1.293 219 H CB -0.025 29.650 29.762 -0.144 0.000 1.372 219 H HN 0.490 nan 8.280 nan 0.000 0.501 220 A N 0.405 123.068 122.820 -0.262 0.000 1.972 220 A HA -0.105 4.259 4.320 0.073 0.000 0.219 220 A C 2.516 179.938 177.584 -0.270 0.000 1.169 220 A CA 1.336 53.212 52.037 -0.269 0.000 0.635 220 A CB -0.615 18.129 19.000 -0.426 0.000 0.810 220 A HN 0.304 nan 8.150 nan 0.000 0.446 221 V N -0.231 119.394 119.914 -0.482 0.000 2.649 221 V HA -0.008 4.156 4.120 0.073 0.000 0.248 221 V C 0.963 176.997 176.094 -0.100 0.000 1.054 221 V CA 0.838 62.907 62.300 -0.386 0.000 1.073 221 V CB -0.431 30.966 31.823 -0.709 0.000 0.699 221 V HN 0.352 nan 8.190 nan 0.000 0.463 222 K N 1.007 121.334 120.400 -0.123 0.000 2.156 222 K HA 0.200 4.564 4.320 0.073 0.000 0.242 222 K C -2.291 174.267 176.600 -0.071 0.000 1.033 222 K CA -1.555 54.678 56.287 -0.091 0.000 0.878 222 K CB -0.631 31.805 32.500 -0.106 0.000 1.057 222 K HN 0.166 nan 8.250 nan 0.000 0.505 223 P HA 0.009 nan 4.420 nan 0.000 0.267 223 P C -0.644 176.593 177.300 -0.104 0.000 1.205 223 P CA 0.315 63.284 63.100 -0.219 0.000 0.765 223 P CB 0.277 31.846 31.700 -0.219 0.000 0.828 224 E N 6.094 126.280 120.200 -0.024 0.000 2.442 224 E HA -0.046 4.348 4.350 0.073 0.000 0.262 224 E C -1.195 175.455 176.600 0.084 0.000 1.004 224 E CA -1.141 55.341 56.400 0.137 0.000 0.928 224 E CB 0.058 29.959 29.700 0.335 0.000 0.937 224 E HN 0.440 nan 8.360 nan 0.000 0.446 225 P HA -0.217 nan 4.420 nan 0.000 0.221 225 P C 1.005 178.361 177.300 0.092 0.000 1.150 225 P CA 1.449 64.576 63.100 0.046 0.000 0.800 225 P CB 0.019 31.727 31.700 0.013 0.000 0.787 226 H N -0.911 118.201 119.070 0.070 0.000 2.333 226 H HA -0.068 4.532 4.556 0.074 0.000 0.302 226 H C 1.671 177.101 175.328 0.170 0.000 1.075 226 H CA 1.407 57.486 56.048 0.052 0.000 1.348 226 H CB -1.345 28.384 29.762 -0.056 0.000 1.393 226 H HN 0.293 nan 8.280 nan 0.000 0.509 227 W N 0.560 121.445 121.300 -0.691 0.000 3.058 227 W HA 0.664 5.368 4.660 0.073 0.000 0.306 227 W C 0.529 176.871 176.519 -0.295 0.000 1.188 227 W CA -0.658 56.440 57.345 -0.411 0.000 1.651 227 W CB -0.675 28.528 29.460 -0.429 0.000 1.051 227 W HN 0.440 nan 8.180 nan 0.000 0.592 228 A N 1.219 123.988 122.820 -0.085 0.000 2.734 228 A HA -0.142 4.222 4.320 0.073 0.000 0.296 228 A C -0.428 176.911 177.584 -0.408 0.000 1.474 228 A CA 1.338 53.256 52.037 -0.198 0.000 0.735 228 A CB -2.433 16.483 19.000 -0.140 0.000 1.062 228 A HN 0.453 nan 8.150 nan 0.000 0.463 229 I N 0.445 120.617 120.570 -0.663 0.000 2.686 229 I HA 0.564 4.778 4.170 0.073 0.000 0.295 229 I C -2.482 173.296 176.117 -0.564 0.000 1.114 229 I CA -2.379 58.428 61.300 -0.821 0.000 1.038 229 I CB 2.989 39.990 38.000 -1.665 0.000 1.238 229 I HN 0.216 nan 8.210 nan 0.000 0.420 230 P HA 0.286 nan 4.420 nan 0.000 0.292 230 P C -1.557 175.566 177.300 -0.295 0.000 1.300 230 P CA -0.862 61.998 63.100 -0.400 0.000 0.900 230 P CB 1.603 33.146 31.700 -0.262 0.000 1.139 231 Q N 0.950 120.623 119.800 -0.213 0.000 2.296 231 Q HA 0.445 4.829 4.340 0.073 0.000 0.262 231 Q C 1.239 177.186 176.000 -0.088 0.000 0.981 231 Q CA 1.263 56.979 55.803 -0.145 0.000 0.905 231 Q CB -0.640 28.028 28.738 -0.118 0.000 1.186 231 Q HN 0.828 nan 8.270 nan 0.000 0.399 232 G N 3.286 112.040 108.800 -0.075 0.000 2.166 232 G HA2 -0.310 3.694 3.960 0.073 0.000 0.260 232 G HA3 -0.310 3.694 3.960 0.073 0.000 0.260 232 G C -0.248 174.645 174.900 -0.012 0.000 0.986 232 G CA 0.669 45.747 45.100 -0.036 0.000 0.683 232 G HN 0.567 nan 8.290 nan 0.000 0.527 233 Q N -0.789 119.000 119.800 -0.019 0.000 2.377 233 Q HA 0.625 5.009 4.340 0.073 0.000 0.271 233 Q C 1.012 177.014 176.000 0.003 0.000 1.077 233 Q CA -0.150 55.671 55.803 0.029 0.000 0.820 233 Q CB 1.811 30.609 28.738 0.101 0.000 1.347 233 Q HN 0.419 nan 8.270 nan 0.000 0.444 234 S N -0.597 115.016 115.700 -0.146 0.000 2.556 234 S HA 0.180 4.694 4.470 0.073 0.000 0.216 234 S C 0.931 175.451 174.600 -0.133 0.000 0.970 234 S CA -0.025 57.839 58.200 -0.559 0.000 0.912 234 S CB 0.319 62.742 63.200 -1.295 0.000 0.790 234 S HN 0.600 nan 8.310 nan 0.000 0.504 235 A N 2.290 125.240 122.820 0.216 0.000 3.051 235 A HA 0.489 4.853 4.320 0.073 0.000 0.257 235 A C 0.136 177.954 177.584 0.391 0.000 1.785 235 A CA -0.478 51.769 52.037 0.350 0.000 1.420 235 A CB -1.392 17.736 19.000 0.213 0.000 1.063 235 A HN 0.918 nan 8.150 nan 0.000 0.630 236 H N -3.926 115.332 119.070 0.314 0.000 3.014 236 H HA 0.503 5.103 4.556 0.074 0.000 0.337 236 H C -0.199 175.324 175.328 0.325 0.000 1.320 236 H CA -0.717 55.480 56.048 0.248 0.000 1.128 236 H CB 0.264 30.129 29.762 0.171 0.000 1.862 236 H HN 0.062 nan 8.280 nan 0.000 0.536 237 D N 0.284 120.853 120.400 0.281 0.000 2.116 237 D HA -0.228 4.456 4.640 0.073 0.000 0.193 237 D C 2.121 178.482 176.300 0.101 0.000 0.998 237 D CA 3.240 57.345 54.000 0.175 0.000 0.836 237 D CB -0.358 40.522 40.800 0.134 0.000 0.951 237 D HN 0.794 nan 8.370 nan 0.000 0.449 238 T N -1.637 112.972 114.554 0.092 0.000 2.788 238 T HA -0.210 4.184 4.350 0.073 0.000 0.268 238 T C 1.899 176.549 174.700 -0.083 0.000 1.044 238 T CA 0.776 62.899 62.100 0.039 0.000 1.139 238 T CB -0.726 68.210 68.868 0.112 0.000 0.867 238 T HN 0.171 nan 8.240 nan 0.000 0.454 239 F N 0.847 120.503 119.950 -0.490 0.000 2.051 239 F HA 0.068 4.639 4.527 0.073 0.000 0.296 239 F C 1.964 177.484 175.800 -0.467 0.000 1.122 239 F CA 0.848 58.467 58.000 -0.636 0.000 1.201 239 F CB -0.651 37.762 39.000 -0.979 0.000 0.978 239 F HN 0.147 nan 8.300 nan 0.000 0.472 240 W N 0.713 121.946 121.300 -0.111 0.000 2.374 240 W HA -0.138 4.566 4.660 0.073 0.000 0.288 240 W C 2.345 178.781 176.519 -0.139 0.000 1.218 240 W CA 1.086 58.348 57.345 -0.140 0.000 1.245 240 W CB -0.680 28.782 29.460 0.002 0.000 1.126 240 W HN 0.106 nan 8.180 nan 0.000 0.545 241 D N -0.494 119.946 120.400 0.066 0.000 2.087 241 D HA -0.311 4.373 4.640 0.073 0.000 0.192 241 D C 1.893 178.189 176.300 -0.007 0.000 0.993 241 D CA 1.659 55.679 54.000 0.033 0.000 0.828 241 D CB -0.654 40.173 40.800 0.046 0.000 0.968 241 D HN 0.196 nan 8.370 nan 0.000 0.448 242 Y N 0.343 120.537 120.300 -0.177 0.000 2.128 242 Y HA -0.204 4.390 4.550 0.074 0.000 0.284 242 Y C 2.286 178.058 175.900 -0.213 0.000 1.154 242 Y CA 1.562 59.548 58.100 -0.191 0.000 1.149 242 Y CB -0.417 37.896 38.460 -0.245 0.000 0.976 242 Y HN -0.090 nan 8.280 nan 0.000 0.505 243 V N 0.030 119.823 119.914 -0.202 0.000 2.287 243 V HA -0.342 3.822 4.120 0.073 0.000 0.248 243 V C 2.643 178.684 176.094 -0.088 0.000 1.053 243 V CA 2.237 64.415 62.300 -0.203 0.000 1.027 243 V CB -1.251 30.328 31.823 -0.406 0.000 0.646 243 V HN 0.662 nan 8.190 nan 0.000 0.447 244 S N -0.169 115.521 115.700 -0.017 0.000 2.419 244 S HA -0.111 4.403 4.470 0.073 0.000 0.233 244 S C 1.718 176.287 174.600 -0.051 0.000 1.016 244 S CA 1.551 59.761 58.200 0.018 0.000 0.974 244 S CB -0.494 62.744 63.200 0.063 0.000 0.786 244 S HN 0.561 nan 8.310 nan 0.000 0.492 245 L N 0.006 121.151 121.223 -0.130 0.000 2.607 245 L HA 0.327 4.711 4.340 0.073 0.000 0.228 245 L C 0.450 177.158 176.870 -0.271 0.000 1.123 245 L CA 0.100 54.837 54.840 -0.171 0.000 0.890 245 L CB 0.046 41.999 42.059 -0.178 0.000 1.103 245 L HN 0.270 nan 8.230 nan 0.000 0.468 246 Q N 0.091 119.694 119.800 -0.330 0.000 3.255 246 Q HA 0.223 4.607 4.340 0.073 0.000 0.231 246 Q C -1.964 173.828 176.000 -0.347 0.000 0.935 246 Q CA -1.414 54.151 55.803 -0.396 0.000 0.714 246 Q CB 1.602 30.008 28.738 -0.554 0.000 1.345 246 Q HN -0.042 nan 8.270 nan 0.000 0.463 247 P HA -0.247 nan 4.420 nan 0.000 0.218 247 P C 1.031 178.022 177.300 -0.515 0.000 1.146 247 P CA 1.313 64.153 63.100 -0.434 0.000 0.813 247 P CB 0.241 31.618 31.700 -0.538 0.000 0.778 248 E N 0.539 120.304 120.200 -0.724 0.000 2.267 248 E HA -0.185 4.208 4.350 0.073 0.000 0.197 248 E C 1.422 177.978 176.600 -0.073 0.000 0.998 248 E CA 1.853 58.085 56.400 -0.279 0.000 0.830 248 E CB -1.245 28.369 29.700 -0.143 0.000 0.751 248 E HN 0.314 nan 8.360 nan 0.000 0.491 249 T N -0.795 113.727 114.554 -0.054 0.000 3.055 249 T HA 0.055 4.449 4.350 0.073 0.000 0.265 249 T C 1.958 176.737 174.700 0.131 0.000 1.111 249 T CA 0.292 62.430 62.100 0.064 0.000 1.118 249 T CB -0.314 68.626 68.868 0.120 0.000 0.909 249 T HN 0.144 nan 8.240 nan 0.000 0.501 250 L N 0.159 121.459 121.223 0.128 0.000 2.079 250 L HA -0.114 4.270 4.340 0.073 0.000 0.210 250 L C 2.839 179.888 176.870 0.299 0.000 1.081 250 L CA 1.914 56.902 54.840 0.246 0.000 0.752 250 L CB -0.836 41.372 42.059 0.249 0.000 0.896 250 L HN 0.472 nan 8.230 nan 0.000 0.433 251 H N 0.001 119.126 119.070 0.092 0.000 2.293 251 H HA -0.196 4.405 4.556 0.074 0.000 0.300 251 H C 2.204 177.540 175.328 0.013 0.000 1.082 251 H CA 1.760 57.859 56.048 0.085 0.000 1.308 251 H CB 0.221 29.994 29.762 0.018 0.000 1.375 251 H HN 0.358 nan 8.280 nan 0.000 0.495 252 N N -0.155 118.397 118.700 -0.248 0.000 2.309 252 N HA -0.124 4.660 4.740 0.073 0.000 0.182 252 N C 1.924 177.300 175.510 -0.224 0.000 1.018 252 N CA 0.687 53.379 53.050 -0.596 0.000 0.876 252 N CB 0.294 37.975 38.487 -1.343 0.000 0.972 252 N HN 0.120 nan 8.380 nan 0.000 0.434 253 V N 1.692 121.687 119.914 0.135 0.000 2.343 253 V HA -0.261 3.903 4.120 0.073 0.000 0.247 253 V C 2.520 178.791 176.094 0.295 0.000 1.051 253 V CA 1.249 63.768 62.300 0.365 0.000 1.036 253 V CB -0.384 31.711 31.823 0.453 0.000 0.654 253 V HN 0.399 nan 8.190 nan 0.000 0.451 254 M N -1.524 118.289 119.600 0.355 0.000 2.082 254 M HA -0.245 4.279 4.480 0.073 0.000 0.258 254 M C 2.055 178.444 176.300 0.147 0.000 1.069 254 M CA 2.011 57.536 55.300 0.375 0.000 1.102 254 M CB -1.298 31.544 32.600 0.404 0.000 1.336 254 M HN 0.475 nan 8.290 nan 0.000 0.404 255 W N 0.281 121.401 121.300 -0.300 0.000 2.355 255 W HA -0.119 4.585 4.660 0.073 0.000 0.309 255 W C 2.788 179.276 176.519 -0.052 0.000 1.206 255 W CA 2.034 59.162 57.345 -0.361 0.000 1.284 255 W CB -0.943 28.199 29.460 -0.530 0.000 1.145 255 W HN 0.310 nan 8.180 nan 0.000 0.502 256 A N -0.802 122.135 122.820 0.195 0.000 1.933 256 A HA -0.188 4.176 4.320 0.073 0.000 0.218 256 A C 1.914 179.579 177.584 0.135 0.000 1.175 256 A CA 1.677 53.827 52.037 0.189 0.000 0.628 256 A CB -0.574 18.578 19.000 0.253 0.000 0.814 256 A HN 0.113 nan 8.150 nan 0.000 0.444 257 M N 0.599 120.243 119.600 0.074 0.000 2.492 257 M HA 0.029 4.553 4.480 0.073 0.000 0.262 257 M C 1.415 177.778 176.300 0.105 0.000 1.090 257 M CA 0.717 55.995 55.300 -0.036 0.000 1.110 257 M CB -1.305 31.038 32.600 -0.427 0.000 1.407 257 M HN 0.548 nan 8.290 nan 0.000 0.470 258 S N 0.035 115.853 115.700 0.198 0.000 2.661 258 S HA 0.122 4.636 4.470 0.073 0.000 0.265 258 S C 0.760 175.496 174.600 0.226 0.000 1.225 258 S CA -0.506 57.838 58.200 0.239 0.000 0.986 258 S CB 0.957 64.328 63.200 0.285 0.000 1.008 258 S HN 0.182 nan 8.310 nan 0.000 0.565 259 D N 0.221 120.768 120.400 0.246 0.000 2.350 259 D HA -0.003 4.681 4.640 0.073 0.000 0.216 259 D C 1.885 178.330 176.300 0.243 0.000 0.968 259 D CA 0.410 54.575 54.000 0.275 0.000 0.894 259 D CB -0.178 40.851 40.800 0.382 0.000 0.909 259 D HN 0.368 nan 8.370 nan 0.000 0.520 260 R N 0.340 120.976 120.500 0.227 0.000 2.127 260 R HA -0.064 4.320 4.340 0.073 0.000 0.238 260 R C 2.125 178.589 176.300 0.273 0.000 1.134 260 R CA 1.035 57.296 56.100 0.269 0.000 0.975 260 R CB -0.936 29.583 30.300 0.364 0.000 0.865 260 R HN 0.209 nan 8.270 nan 0.000 0.447 261 G N 1.186 110.137 108.800 0.252 0.000 2.625 261 G HA2 -0.052 3.952 3.960 0.073 0.000 0.214 261 G HA3 -0.052 3.952 3.960 0.073 0.000 0.214 261 G C 0.975 176.026 174.900 0.253 0.000 1.132 261 G CA 0.241 45.484 45.100 0.239 0.000 0.782 261 G HN 0.429 nan 8.290 nan 0.000 0.538 262 I N -2.177 118.549 120.570 0.259 0.000 2.926 262 I HA 0.344 4.558 4.170 0.073 0.000 0.295 262 I C -2.883 173.387 176.117 0.255 0.000 1.463 262 I CA -2.598 58.857 61.300 0.258 0.000 0.892 262 I CB 1.789 39.942 38.000 0.254 0.000 1.874 262 I HN -0.275 nan 8.210 nan 0.000 0.620 263 P HA 0.065 nan 4.420 nan 0.000 0.269 263 P C 0.611 178.043 177.300 0.219 0.000 1.209 263 P CA -0.113 63.095 63.100 0.179 0.000 0.776 263 P CB 1.166 32.909 31.700 0.071 0.000 0.876 264 R N 2.071 122.682 120.500 0.186 0.000 2.115 264 R HA 0.010 4.394 4.340 0.073 0.000 0.230 264 R C 0.439 176.863 176.300 0.207 0.000 1.111 264 R CA 1.502 57.757 56.100 0.259 0.000 0.976 264 R CB -0.250 30.181 30.300 0.219 0.000 0.870 264 R HN 0.556 nan 8.270 nan 0.000 0.445 265 S N -2.793 112.827 115.700 -0.133 0.000 2.567 265 S HA 0.198 4.712 4.470 0.073 0.000 0.270 265 S C -0.274 174.001 174.600 -0.542 0.000 1.152 265 S CA -0.910 57.040 58.200 -0.416 0.000 0.835 265 S CB 0.148 63.257 63.200 -0.152 0.000 1.115 265 S HN 0.107 nan 8.310 nan 0.000 0.459 266 Y N 1.990 121.929 120.300 -0.601 0.000 2.403 266 Y HA 0.083 4.677 4.550 0.073 0.000 0.291 266 Y C 2.406 177.968 175.900 -0.562 0.000 1.143 266 Y CA 1.144 58.772 58.100 -0.787 0.000 1.257 266 Y CB -0.341 37.289 38.460 -1.383 0.000 0.984 266 Y HN 0.579 nan 8.280 nan 0.000 0.550 267 R N -0.543 119.824 120.500 -0.222 0.000 2.235 267 R HA -0.039 4.345 4.340 0.073 0.000 0.213 267 R C 1.031 177.287 176.300 -0.074 0.000 1.059 267 R CA 1.485 57.498 56.100 -0.145 0.000 0.997 267 R CB -0.370 29.835 30.300 -0.159 0.000 0.884 267 R HN 0.315 nan 8.270 nan 0.000 0.462 268 T N -1.678 112.849 114.554 -0.045 0.000 3.313 268 T HA 0.364 4.758 4.350 0.073 0.000 0.263 268 T C 0.109 174.851 174.700 0.070 0.000 0.983 268 T CA -0.676 61.429 62.100 0.010 0.000 0.963 268 T CB -0.092 68.767 68.868 -0.014 0.000 1.141 268 T HN 0.082 nan 8.240 nan 0.000 0.526 269 M N -0.943 118.740 119.600 0.138 0.000 2.518 269 M HA 0.719 5.243 4.480 0.073 0.000 0.300 269 M C -1.126 175.350 176.300 0.292 0.000 1.175 269 M CA -0.743 54.676 55.300 0.198 0.000 0.890 269 M CB 2.410 35.113 32.600 0.171 0.000 1.710 269 M HN -0.108 nan 8.290 nan 0.000 0.453 270 E N 0.756 121.126 120.200 0.284 0.000 2.351 270 E HA 0.703 5.097 4.350 0.073 0.000 0.255 270 E C -0.255 176.423 176.600 0.130 0.000 1.188 270 E CA -0.450 56.060 56.400 0.183 0.000 0.940 270 E CB 1.489 31.239 29.700 0.085 0.000 1.094 270 E HN 0.878 nan 8.360 nan 0.000 0.474 271 G N 0.392 109.062 108.800 -0.216 0.000 2.667 271 G HA2 0.603 4.607 3.960 0.073 0.000 0.298 271 G HA3 0.603 4.607 3.960 0.073 0.000 0.298 271 G C -1.629 172.866 174.900 -0.674 0.000 1.377 271 G CA -0.503 44.492 45.100 -0.175 0.000 0.964 271 G HN 0.265 nan 8.290 nan 0.000 0.493 272 F N -0.114 119.791 119.950 -0.076 0.000 2.591 272 F HA 0.525 5.096 4.527 0.073 0.000 0.309 272 F C 1.086 176.809 175.800 -0.127 0.000 1.098 272 F CA -0.465 57.413 58.000 -0.202 0.000 0.937 272 F CB 2.598 41.429 39.000 -0.282 0.000 1.250 272 F HN 0.614 nan 8.300 nan 0.000 0.447 273 G N 0.822 109.694 108.800 0.120 0.000 2.712 273 G HA2 0.111 4.115 3.960 0.073 0.000 0.212 273 G HA3 0.111 4.115 3.960 0.073 0.000 0.212 273 G C 1.265 176.255 174.900 0.149 0.000 1.142 273 G CA 0.776 46.000 45.100 0.206 0.000 0.789 273 G HN 0.803 nan 8.290 nan 0.000 0.535 274 I N -0.977 119.601 120.570 0.014 0.000 4.352 274 I HA -0.332 3.882 4.170 0.073 0.000 0.074 274 I C 0.609 176.613 176.117 -0.188 0.000 0.580 274 I CA 1.637 62.822 61.300 -0.191 0.000 1.060 274 I CB -1.047 36.736 38.000 -0.362 0.000 0.947 274 I HN 0.267 nan 8.210 nan 0.000 0.174 275 H N 1.839 120.933 119.070 0.040 0.000 2.615 275 H HA 0.272 4.872 4.556 0.073 0.000 0.363 275 H C 0.131 175.395 175.328 -0.107 0.000 1.148 275 H CA 0.326 56.299 56.048 -0.125 0.000 1.401 275 H CB 0.532 30.058 29.762 -0.394 0.000 1.461 275 H HN 0.122 nan 8.280 nan 0.000 0.588 276 T N 4.165 118.687 114.554 -0.054 0.000 2.779 276 T HA 0.206 4.600 4.350 0.073 0.000 0.296 276 T C 0.301 174.936 174.700 -0.108 0.000 0.938 276 T CA 0.064 62.119 62.100 -0.074 0.000 1.119 276 T CB -0.223 68.542 68.868 -0.171 0.000 0.891 276 T HN 0.240 nan 8.240 nan 0.000 0.526 277 F N 1.435 121.349 119.950 -0.060 0.000 2.544 277 F HA 0.661 5.232 4.527 0.073 0.000 0.378 277 F C 1.100 176.865 175.800 -0.059 0.000 1.112 277 F CA -1.317 56.676 58.000 -0.011 0.000 1.115 277 F CB 1.289 40.286 39.000 -0.004 0.000 1.436 277 F HN 0.174 nan 8.300 nan 0.000 0.496 278 R N 0.501 121.076 120.500 0.125 0.000 2.750 278 R HA 0.632 5.016 4.340 0.073 0.000 0.281 278 R C -1.678 174.511 176.300 -0.184 0.000 0.972 278 R CA -0.882 55.158 56.100 -0.100 0.000 0.912 278 R CB 2.095 32.279 30.300 -0.194 0.000 1.187 278 R HN 0.434 nan 8.270 nan 0.000 0.464 279 L N 3.572 124.634 121.223 -0.269 0.000 2.317 279 L HA 0.542 4.926 4.340 0.073 0.000 0.281 279 L C -0.542 176.168 176.870 -0.266 0.000 1.024 279 L CA -0.920 53.766 54.840 -0.257 0.000 0.810 279 L CB 1.457 43.362 42.059 -0.257 0.000 1.240 279 L HN 0.377 nan 8.230 nan 0.000 0.427 280 I N 2.863 123.299 120.570 -0.224 0.000 2.439 280 I HA 0.254 4.468 4.170 0.073 0.000 0.285 280 I C -0.290 175.736 176.117 -0.153 0.000 1.021 280 I CA -0.748 60.423 61.300 -0.215 0.000 1.091 280 I CB 1.267 39.140 38.000 -0.211 0.000 1.242 280 I HN 0.612 nan 8.210 nan 0.000 0.439 281 N N 4.888 123.510 118.700 -0.130 0.000 2.405 281 N HA 0.362 5.146 4.740 0.073 0.000 0.269 281 N C 0.943 176.408 175.510 -0.074 0.000 1.249 281 N CA -0.295 52.701 53.050 -0.091 0.000 0.974 281 N CB 0.662 39.104 38.487 -0.075 0.000 1.204 281 N HN 0.522 nan 8.380 nan 0.000 0.565 282 A N -0.445 122.342 122.820 -0.056 0.000 2.024 282 A HA -0.149 4.215 4.320 0.073 0.000 0.220 282 A C 1.456 179.017 177.584 -0.038 0.000 1.164 282 A CA 1.460 53.471 52.037 -0.043 0.000 0.643 282 A CB -0.735 18.246 19.000 -0.032 0.000 0.806 282 A HN 0.748 nan 8.150 nan 0.000 0.451 283 E N -1.593 118.585 120.200 -0.037 0.000 2.481 283 E HA 0.295 4.689 4.350 0.073 0.000 0.195 283 E C 1.248 177.834 176.600 -0.023 0.000 1.047 283 E CA 0.765 57.148 56.400 -0.028 0.000 0.867 283 E CB -0.076 29.608 29.700 -0.025 0.000 0.858 283 E HN 0.756 nan 8.360 nan 0.000 0.513 284 G N 1.124 109.905 108.800 -0.031 0.000 2.157 284 G HA2 -0.341 3.663 3.960 0.073 0.000 0.239 284 G HA3 -0.341 3.663 3.960 0.073 0.000 0.239 284 G C 0.267 175.174 174.900 0.012 0.000 0.982 284 G CA 0.222 45.321 45.100 -0.002 0.000 0.650 284 G HN 0.270 nan 8.290 nan 0.000 0.527 285 K N 0.802 121.171 120.400 -0.052 0.000 2.322 285 K HA 0.670 5.034 4.320 0.073 0.000 0.283 285 K C 0.537 176.994 176.600 -0.237 0.000 1.042 285 K CA 0.179 56.408 56.287 -0.096 0.000 0.958 285 K CB 0.627 33.077 32.500 -0.084 0.000 0.984 285 K HN 0.598 nan 8.250 nan 0.000 0.473 286 A N 3.432 126.009 122.820 -0.406 0.000 2.301 286 A HA 0.427 4.791 4.320 0.073 0.000 0.312 286 A C -0.794 176.478 177.584 -0.519 0.000 1.182 286 A CA -0.531 51.115 52.037 -0.653 0.000 0.826 286 A CB 1.126 19.330 19.000 -1.326 0.000 1.134 286 A HN 0.734 nan 8.150 nan 0.000 0.501 287 T N 2.406 116.689 114.554 -0.451 0.000 2.848 287 T HA 0.518 4.912 4.350 0.073 0.000 0.285 287 T C -0.635 173.853 174.700 -0.353 0.000 0.995 287 T CA -0.123 61.762 62.100 -0.358 0.000 0.970 287 T CB 0.427 69.173 68.868 -0.203 0.000 0.976 287 T HN 0.338 nan 8.240 nan 0.000 0.441 288 F N 2.259 122.107 119.950 -0.169 0.000 2.529 288 F HA 0.477 5.048 4.527 0.073 0.000 0.365 288 F C 0.593 176.268 175.800 -0.209 0.000 1.102 288 F CA -0.366 57.529 58.000 -0.174 0.000 1.271 288 F CB 0.587 39.502 39.000 -0.142 0.000 1.120 288 F HN 0.197 nan 8.300 nan 0.000 0.579 289 V N 4.978 124.846 119.914 -0.077 0.000 2.841 289 V HA 0.611 4.775 4.120 0.073 0.000 0.310 289 V C -0.969 174.914 176.094 -0.351 0.000 1.090 289 V CA -0.817 61.296 62.300 -0.310 0.000 0.930 289 V CB 2.163 33.571 31.823 -0.691 0.000 1.014 289 V HN 0.762 nan 8.190 nan 0.000 0.425 290 R N 4.592 124.936 120.500 -0.262 0.000 2.494 290 R HA 0.542 4.926 4.340 0.073 0.000 0.305 290 R C -1.622 174.625 176.300 -0.089 0.000 0.959 290 R CA -0.439 55.567 56.100 -0.156 0.000 0.864 290 R CB 1.896 32.215 30.300 0.033 0.000 1.159 290 R HN 0.611 nan 8.270 nan 0.000 0.446 291 F N 2.577 122.590 119.950 0.105 0.000 2.396 291 F HA 0.335 4.906 4.527 0.074 0.000 0.343 291 F C 0.970 176.717 175.800 -0.090 0.000 1.104 291 F CA -0.020 58.003 58.000 0.039 0.000 1.161 291 F CB 0.834 39.750 39.000 -0.139 0.000 1.146 291 F HN 0.222 nan 8.300 nan 0.000 0.522 292 H N 1.250 120.326 119.070 0.010 0.000 2.717 292 H HA 0.258 4.858 4.556 0.074 0.000 0.366 292 H C -1.547 173.538 175.328 -0.405 0.000 1.132 292 H CA -1.028 54.916 56.048 -0.173 0.000 1.180 292 H CB 1.916 31.674 29.762 -0.006 0.000 1.678 292 H HN 0.672 nan 8.280 nan 0.000 0.537 293 W N 2.304 123.507 121.300 -0.162 0.000 2.600 293 W HA 0.341 5.045 4.660 0.074 0.000 0.325 293 W C -0.131 176.415 176.519 0.045 0.000 1.034 293 W CA -0.775 56.510 57.345 -0.099 0.000 1.226 293 W CB 1.865 31.080 29.460 -0.408 0.000 1.379 293 W HN 0.283 nan 8.180 nan 0.000 0.466 294 K N 5.395 126.072 120.400 0.463 0.000 2.274 294 K HA 0.436 4.800 4.320 0.073 0.000 0.262 294 K C -2.536 174.311 176.600 0.412 0.000 0.961 294 K CA -1.966 54.534 56.287 0.355 0.000 0.833 294 K CB 1.778 34.436 32.500 0.263 0.000 1.102 294 K HN 0.032 nan 8.250 nan 0.000 0.436 295 P HA 0.096 nan 4.420 nan 0.000 0.281 295 P C 0.259 177.592 177.300 0.054 0.000 1.286 295 P CA -0.181 63.015 63.100 0.159 0.000 0.772 295 P CB 0.776 32.575 31.700 0.164 0.000 0.862 296 L N 2.662 123.865 121.223 -0.033 0.000 2.465 296 L HA -0.060 4.324 4.340 0.073 0.000 0.224 296 L C 2.216 179.076 176.870 -0.018 0.000 1.145 296 L CA 0.990 55.833 54.840 0.005 0.000 0.834 296 L CB -0.508 41.559 42.059 0.014 0.000 0.944 296 L HN 0.331 nan 8.230 nan 0.000 0.451 297 A N -0.085 122.698 122.820 -0.062 0.000 2.208 297 A HA 0.395 4.759 4.320 0.073 0.000 0.209 297 A C 1.260 178.845 177.584 0.002 0.000 1.161 297 A CA 0.715 52.728 52.037 -0.040 0.000 0.782 297 A CB -0.349 18.608 19.000 -0.072 0.000 0.816 297 A HN 0.437 nan 8.150 nan 0.000 0.477 298 G N -0.649 108.168 108.800 0.028 0.000 2.707 298 G HA2 -0.120 3.883 3.960 0.073 0.000 0.686 298 G HA3 -0.120 3.883 3.960 0.073 0.000 0.686 298 G C -0.676 174.258 174.900 0.057 0.000 1.315 298 G CA -0.451 44.685 45.100 0.060 0.000 0.832 298 G HN 0.459 nan 8.290 nan 0.000 0.573 299 K N 0.246 120.688 120.400 0.070 0.000 2.234 299 K HA 0.680 5.044 4.320 0.073 0.000 0.282 299 K C 0.310 176.919 176.600 0.014 0.000 1.039 299 K CA 0.339 56.653 56.287 0.045 0.000 0.928 299 K CB 1.580 34.096 32.500 0.026 0.000 1.039 299 K HN 1.472 nan 8.250 nan 0.000 0.470 300 A N 1.830 124.646 122.820 -0.007 0.000 2.566 300 A HA 0.608 4.971 4.320 0.073 0.000 0.297 300 A C -1.153 176.487 177.584 0.094 0.000 1.059 300 A CA -0.693 51.314 52.037 -0.051 0.000 0.691 300 A CB 1.776 20.538 19.000 -0.397 0.000 1.282 300 A HN 0.512 nan 8.150 nan 0.000 0.401 301 S N 0.175 116.082 115.700 0.346 0.000 2.627 301 S HA 0.748 5.262 4.470 0.073 0.000 0.283 301 S C -0.251 174.663 174.600 0.523 0.000 1.127 301 S CA -0.616 57.822 58.200 0.398 0.000 0.863 301 S CB 1.220 64.647 63.200 0.379 0.000 1.121 301 S HN 0.667 nan 8.310 nan 0.000 0.479 302 L N 1.284 122.701 121.223 0.323 0.000 2.490 302 L HA 0.568 4.952 4.340 0.073 0.000 0.245 302 L C 0.039 177.016 176.870 0.180 0.000 1.185 302 L CA -0.819 54.129 54.840 0.181 0.000 0.813 302 L CB 0.153 42.227 42.059 0.025 0.000 1.233 302 L HN 0.495 nan 8.230 nan 0.000 0.489 303 V N -3.109 116.810 119.914 0.008 0.000 2.850 303 V HA 0.176 4.340 4.120 0.073 0.000 0.315 303 V C 0.724 176.764 176.094 -0.089 0.000 1.064 303 V CA -0.799 61.475 62.300 -0.044 0.000 0.979 303 V CB 1.556 33.334 31.823 -0.075 0.000 1.039 303 V HN 0.940 nan 8.190 nan 0.000 0.452 304 W N 1.916 123.089 121.300 -0.212 0.000 2.317 304 W HA -0.261 4.443 4.660 0.073 0.000 0.318 304 W C 1.813 178.184 176.519 -0.245 0.000 1.227 304 W CA 2.683 59.903 57.345 -0.209 0.000 1.269 304 W CB -0.127 29.206 29.460 -0.212 0.000 1.155 304 W HN 1.004 nan 8.180 nan 0.000 0.484 305 D N 0.093 120.184 120.400 -0.514 0.000 2.123 305 D HA -0.290 4.394 4.640 0.073 0.000 0.196 305 D C 2.173 178.104 176.300 -0.615 0.000 0.992 305 D CA 2.162 55.846 54.000 -0.525 0.000 0.833 305 D CB -0.503 40.263 40.800 -0.058 0.000 0.954 305 D HN 0.377 nan 8.370 nan 0.000 0.455 306 E N -0.449 119.244 120.200 -0.845 0.000 2.072 306 E HA -0.178 4.216 4.350 0.073 0.000 0.191 306 E C 2.005 178.240 176.600 -0.608 0.000 0.985 306 E CA 0.964 56.812 56.400 -0.921 0.000 0.801 306 E CB -0.188 28.878 29.700 -1.058 0.000 0.750 306 E HN 0.311 nan 8.360 nan 0.000 0.452 307 A N 1.214 123.695 122.820 -0.564 0.000 1.877 307 A HA -0.256 4.108 4.320 0.073 0.000 0.216 307 A C 2.179 179.410 177.584 -0.589 0.000 1.186 307 A CA 1.791 53.539 52.037 -0.482 0.000 0.620 307 A CB -0.699 18.120 19.000 -0.301 0.000 0.822 307 A HN 0.432 nan 8.150 nan 0.000 0.443 308 Q N -0.308 118.938 119.800 -0.924 0.000 2.079 308 Q HA -0.175 4.208 4.340 0.073 0.000 0.200 308 Q C 1.955 177.678 176.000 -0.462 0.000 0.974 308 Q CA 1.716 57.033 55.803 -0.811 0.000 0.840 308 Q CB -0.112 27.920 28.738 -1.176 0.000 0.898 308 Q HN 0.675 nan 8.270 nan 0.000 0.430 309 K N -0.010 120.136 120.400 -0.423 0.000 2.147 309 K HA -0.145 4.219 4.320 0.073 0.000 0.205 309 K C 1.968 178.419 176.600 -0.249 0.000 1.049 309 K CA 0.760 56.889 56.287 -0.264 0.000 0.936 309 K CB -0.048 32.338 32.500 -0.191 0.000 0.722 309 K HN 0.162 nan 8.250 nan 0.000 0.446 310 L N 1.415 122.444 121.223 -0.324 0.000 2.217 310 L HA -0.115 4.269 4.340 0.073 0.000 0.211 310 L C 2.341 179.067 176.870 -0.240 0.000 1.107 310 L CA 1.817 56.462 54.840 -0.324 0.000 0.783 310 L CB -0.926 40.835 42.059 -0.497 0.000 0.919 310 L HN 0.306 nan 8.230 nan 0.000 0.442 311 T N -4.567 109.849 114.554 -0.230 0.000 2.881 311 T HA -0.083 4.311 4.350 0.073 0.000 0.270 311 T C 1.859 176.490 174.700 -0.114 0.000 1.068 311 T CA 1.041 63.049 62.100 -0.153 0.000 1.131 311 T CB -0.827 67.962 68.868 -0.131 0.000 0.871 311 T HN 0.347 nan 8.240 nan 0.000 0.479 312 G N 1.252 109.979 108.800 -0.122 0.000 2.437 312 G HA2 0.000 4.004 3.960 0.073 0.000 0.212 312 G HA3 0.000 4.004 3.960 0.073 0.000 0.212 312 G C 1.917 176.770 174.900 -0.077 0.000 1.174 312 G CA -0.219 44.827 45.100 -0.090 0.000 0.811 312 G HN 0.318 nan 8.290 nan 0.000 0.537 313 R N 0.340 120.785 120.500 -0.091 0.000 2.090 313 R HA 0.048 4.432 4.340 0.073 0.000 0.228 313 R C -0.096 176.178 176.300 -0.044 0.000 1.110 313 R CA 0.901 56.961 56.100 -0.066 0.000 0.973 313 R CB -0.311 29.943 30.300 -0.076 0.000 0.869 313 R HN 0.361 nan 8.270 nan 0.000 0.440 314 D N -0.174 120.196 120.400 -0.050 0.000 2.381 314 D HA 0.153 4.837 4.640 0.073 0.000 0.245 314 D C -2.093 174.210 176.300 0.006 0.000 1.297 314 D CA -1.892 52.113 54.000 0.009 0.000 0.931 314 D CB 1.295 42.154 40.800 0.098 0.000 1.334 314 D HN -0.151 nan 8.370 nan 0.000 0.535 315 P HA -0.019 nan 4.420 nan 0.000 0.228 315 P C 0.060 177.364 177.300 0.007 0.000 1.151 315 P CA 0.745 63.831 63.100 -0.022 0.000 0.770 315 P CB 0.495 32.178 31.700 -0.028 0.000 0.786 316 D N -1.796 118.622 120.400 0.029 0.000 2.402 316 D HA 0.073 4.757 4.640 0.073 0.000 0.216 316 D C 1.255 177.594 176.300 0.065 0.000 1.128 316 D CA -0.448 53.576 54.000 0.040 0.000 0.833 316 D CB -0.475 40.326 40.800 0.002 0.000 0.971 316 D HN 0.084 nan 8.370 nan 0.000 0.503 317 F N 1.609 121.507 119.950 -0.086 0.000 2.091 317 F HA -0.266 4.305 4.527 0.073 0.000 0.299 317 F C 2.053 177.830 175.800 -0.037 0.000 1.103 317 F CA 1.973 59.919 58.000 -0.091 0.000 1.228 317 F CB -0.039 38.860 39.000 -0.168 0.000 0.984 317 F HN 0.107 nan 8.300 nan 0.000 0.477 318 H N -1.265 117.749 119.070 -0.094 0.000 2.395 318 H HA -0.082 4.518 4.556 0.073 0.000 0.299 318 H C 2.396 177.647 175.328 -0.129 0.000 1.070 318 H CA 0.876 56.731 56.048 -0.323 0.000 1.356 318 H CB -0.119 29.262 29.762 -0.634 0.000 1.401 318 H HN 0.201 nan 8.280 nan 0.000 0.524 319 R N 1.321 121.935 120.500 0.191 0.000 2.073 319 R HA -0.137 4.247 4.340 0.073 0.000 0.234 319 R C 2.441 178.858 176.300 0.196 0.000 1.134 319 R CA 1.378 57.641 56.100 0.271 0.000 0.952 319 R CB -0.058 30.383 30.300 0.235 0.000 0.850 319 R HN 0.182 nan 8.270 nan 0.000 0.433 320 R N 0.349 120.889 120.500 0.066 0.000 2.083 320 R HA -0.173 4.211 4.340 0.073 0.000 0.237 320 R C 2.250 178.558 176.300 0.014 0.000 1.137 320 R CA 1.855 57.971 56.100 0.027 0.000 0.951 320 R CB -0.286 29.979 30.300 -0.059 0.000 0.851 320 R HN 0.281 nan 8.270 nan 0.000 0.434 321 E N 0.736 120.840 120.200 -0.161 0.000 2.085 321 E HA -0.214 4.180 4.350 0.073 0.000 0.194 321 E C 2.011 178.593 176.600 -0.030 0.000 0.994 321 E CA 1.238 57.522 56.400 -0.194 0.000 0.801 321 E CB -0.158 29.267 29.700 -0.458 0.000 0.743 321 E HN 0.275 nan 8.360 nan 0.000 0.453 322 L N 0.855 122.104 121.223 0.043 0.000 1.994 322 L HA -0.162 4.222 4.340 0.073 0.000 0.208 322 L C 2.319 179.294 176.870 0.175 0.000 1.071 322 L CA 1.985 56.894 54.840 0.116 0.000 0.745 322 L CB -0.981 41.210 42.059 0.221 0.000 0.892 322 L HN 0.310 nan 8.230 nan 0.000 0.431 323 W N 0.889 122.231 121.300 0.069 0.000 2.335 323 W HA -0.231 4.474 4.660 0.074 0.000 0.311 323 W C 2.260 178.813 176.519 0.057 0.000 1.213 323 W CA 2.305 59.699 57.345 0.082 0.000 1.274 323 W CB -0.149 29.362 29.460 0.084 0.000 1.148 323 W HN 0.364 nan 8.180 nan 0.000 0.498 324 E N -0.152 120.222 120.200 0.290 0.000 2.152 324 E HA -0.121 4.273 4.350 0.073 0.000 0.192 324 E C 2.354 178.992 176.600 0.063 0.000 0.983 324 E CA 0.987 57.485 56.400 0.163 0.000 0.818 324 E CB -0.345 29.409 29.700 0.090 0.000 0.758 324 E HN 0.183 nan 8.360 nan 0.000 0.467 325 A N 1.318 124.172 122.820 0.056 0.000 1.877 325 A HA -0.189 4.175 4.320 0.073 0.000 0.216 325 A C 2.160 179.771 177.584 0.046 0.000 1.186 325 A CA 1.147 53.209 52.037 0.041 0.000 0.620 325 A CB -0.588 18.433 19.000 0.036 0.000 0.822 325 A HN 0.139 nan 8.150 nan 0.000 0.443 326 I N -0.440 120.177 120.570 0.079 0.000 2.286 326 I HA -0.241 3.973 4.170 0.073 0.000 0.248 326 I C 2.490 178.680 176.117 0.122 0.000 1.115 326 I CA 1.427 62.827 61.300 0.166 0.000 1.392 326 I CB -0.328 37.697 38.000 0.042 0.000 1.065 326 I HN 0.418 nan 8.210 nan 0.000 0.418 327 E N 0.720 120.935 120.200 0.025 0.000 2.150 327 E HA -0.158 4.235 4.350 0.073 0.000 0.193 327 E C 2.192 178.804 176.600 0.020 0.000 0.985 327 E CA 1.197 57.619 56.400 0.037 0.000 0.814 327 E CB -0.091 29.662 29.700 0.088 0.000 0.752 327 E HN 0.500 nan 8.360 nan 0.000 0.466 328 A N 0.165 122.973 122.820 -0.019 0.000 2.206 328 A HA 0.176 4.540 4.320 0.073 0.000 0.211 328 A C 1.759 179.271 177.584 -0.120 0.000 1.158 328 A CA 1.000 52.997 52.037 -0.066 0.000 0.761 328 A CB -0.214 18.723 19.000 -0.106 0.000 0.801 328 A HN 0.343 nan 8.150 nan 0.000 0.473 329 G N -0.507 108.155 108.800 -0.230 0.000 2.159 329 G HA2 -0.203 3.801 3.960 0.073 0.000 0.256 329 G HA3 -0.203 3.801 3.960 0.073 0.000 0.256 329 G C -0.201 174.236 174.900 -0.772 0.000 0.977 329 G CA 0.253 44.938 45.100 -0.692 0.000 0.652 329 G HN 0.483 nan 8.290 nan 0.000 0.531 330 D N 0.928 121.115 120.400 -0.355 0.000 2.896 330 D HA 0.274 4.958 4.640 0.073 0.000 0.240 330 D C 0.703 176.937 176.300 -0.110 0.000 1.193 330 D CA -0.213 53.667 54.000 -0.201 0.000 0.983 330 D CB -0.626 40.155 40.800 -0.032 0.000 1.074 330 D HN 0.425 nan 8.370 nan 0.000 0.496 331 F N 1.443 121.390 119.950 -0.004 0.000 2.590 331 F HA 0.083 4.654 4.527 0.073 0.000 0.389 331 F C -1.421 174.341 175.800 -0.063 0.000 1.049 331 F CA -1.895 56.093 58.000 -0.020 0.000 1.199 331 F CB -0.116 38.885 39.000 0.001 0.000 1.058 331 F HN -0.096 nan 8.300 nan 0.000 0.556 332 P HA -0.005 nan 4.420 nan 0.000 0.261 332 P C -1.028 176.174 177.300 -0.165 0.000 1.183 332 P CA 0.435 63.487 63.100 -0.081 0.000 0.761 332 P CB 0.437 32.152 31.700 0.026 0.000 0.785 333 E N 2.561 122.533 120.200 -0.381 0.000 2.248 333 E HA 0.468 4.862 4.350 0.073 0.000 0.267 333 E C -1.077 175.256 176.600 -0.445 0.000 0.877 333 E CA -0.608 55.641 56.400 -0.253 0.000 0.759 333 E CB 1.649 31.313 29.700 -0.060 0.000 1.182 333 E HN 0.377 nan 8.360 nan 0.000 0.418 334 Y N 0.233 120.616 120.300 0.139 0.000 2.457 334 Y HA 0.239 4.833 4.550 0.073 0.000 0.343 334 Y C -0.273 175.863 175.900 0.392 0.000 0.994 334 Y CA -0.993 57.265 58.100 0.263 0.000 1.031 334 Y CB 2.061 40.673 38.460 0.252 0.000 1.246 334 Y HN 0.481 nan 8.280 nan 0.000 0.449 335 E N 3.116 123.646 120.200 0.550 0.000 2.156 335 E HA 0.421 4.815 4.350 0.073 0.000 0.279 335 E C -1.484 175.385 176.600 0.448 0.000 0.965 335 E CA -0.951 55.719 56.400 0.450 0.000 0.789 335 E CB 1.151 31.058 29.700 0.344 0.000 1.098 335 E HN 0.653 nan 8.360 nan 0.000 0.397 336 L N 4.209 125.628 121.223 0.326 0.000 2.380 336 L HA 0.509 4.893 4.340 0.073 0.000 0.273 336 L C -0.106 176.699 176.870 -0.109 0.000 1.138 336 L CA 0.575 55.332 54.840 -0.138 0.000 0.832 336 L CB 1.064 42.967 42.059 -0.260 0.000 1.124 336 L HN 0.590 nan 8.230 nan 0.000 0.454 337 G N 4.394 113.136 108.800 -0.096 0.000 2.620 337 G HA2 0.561 4.565 3.960 0.073 0.000 0.301 337 G HA3 0.561 4.565 3.960 0.073 0.000 0.301 337 G C -1.593 173.424 174.900 0.195 0.000 1.347 337 G CA -0.514 44.571 45.100 -0.026 0.000 0.971 337 G HN 0.481 nan 8.290 nan 0.000 0.488 338 F N 0.236 120.196 119.950 0.016 0.000 2.482 338 F HA 0.419 4.990 4.527 0.073 0.000 0.331 338 F C 0.374 176.152 175.800 -0.036 0.000 1.115 338 F CA -0.993 57.011 58.000 0.007 0.000 0.955 338 F CB 2.597 41.589 39.000 -0.014 0.000 1.136 338 F HN 0.119 nan 8.300 nan 0.000 0.452 339 Q N 4.282 124.182 119.800 0.166 0.000 2.340 339 Q HA 0.512 4.896 4.340 0.073 0.000 0.259 339 Q C -1.164 174.869 176.000 0.055 0.000 0.964 339 Q CA -0.510 55.340 55.803 0.078 0.000 0.900 339 Q CB 2.157 30.948 28.738 0.089 0.000 1.228 339 Q HN 0.547 nan 8.270 nan 0.000 0.449 340 L N 4.278 125.541 121.223 0.065 0.000 2.333 340 L HA 0.562 4.946 4.340 0.073 0.000 0.280 340 L C -0.874 176.039 176.870 0.071 0.000 1.004 340 L CA -0.752 54.115 54.840 0.045 0.000 0.820 340 L CB 1.223 43.316 42.059 0.056 0.000 1.247 340 L HN 0.495 nan 8.230 nan 0.000 0.416 341 I N 4.829 125.454 120.570 0.092 0.000 2.418 341 I HA 0.423 4.637 4.170 0.073 0.000 0.287 341 I C -2.247 173.968 176.117 0.163 0.000 1.008 341 I CA -1.910 59.484 61.300 0.157 0.000 1.104 341 I CB 1.752 39.861 38.000 0.181 0.000 1.264 341 I HN 0.307 nan 8.210 nan 0.000 0.438 342 P HA 0.052 nan 4.420 nan 0.000 0.269 342 P C 0.689 178.035 177.300 0.077 0.000 1.215 342 P CA -0.154 62.968 63.100 0.037 0.000 0.780 342 P CB 0.844 32.564 31.700 0.034 0.000 0.898 343 E N 2.088 122.234 120.200 -0.090 0.000 2.085 343 E HA -0.247 4.147 4.350 0.073 0.000 0.194 343 E C 1.413 178.083 176.600 0.116 0.000 0.994 343 E CA 1.069 57.409 56.400 -0.101 0.000 0.801 343 E CB 0.004 29.569 29.700 -0.226 0.000 0.743 343 E HN 0.500 nan 8.360 nan 0.000 0.453 344 E N 0.342 120.586 120.200 0.074 0.000 2.515 344 E HA -0.170 4.224 4.350 0.073 0.000 0.201 344 E C 0.236 176.900 176.600 0.107 0.000 1.071 344 E CA 0.776 57.234 56.400 0.097 0.000 0.880 344 E CB 0.030 29.769 29.700 0.064 0.000 0.828 344 E HN 0.235 nan 8.360 nan 0.000 0.540 345 D N 1.165 121.640 120.400 0.125 0.000 2.368 345 D HA 0.002 4.686 4.640 0.073 0.000 0.218 345 D C 1.330 177.699 176.300 0.115 0.000 1.112 345 D CA 0.017 54.086 54.000 0.114 0.000 0.834 345 D CB 0.195 41.084 40.800 0.149 0.000 0.953 345 D HN 0.416 nan 8.370 nan 0.000 0.505 346 E N -0.065 120.145 120.200 0.018 0.000 2.097 346 E HA -0.192 4.202 4.350 0.073 0.000 0.196 346 E C 0.337 176.622 176.600 -0.525 0.000 1.000 346 E CA 1.070 57.261 56.400 -0.349 0.000 0.804 346 E CB 0.009 29.349 29.700 -0.600 0.000 0.740 346 E HN 0.253 nan 8.360 nan 0.000 0.454 347 F N -0.234 119.744 119.950 0.047 0.000 2.730 347 F HA 0.285 4.856 4.527 0.073 0.000 0.295 347 F C 1.195 176.959 175.800 -0.059 0.000 1.143 347 F CA -0.215 57.785 58.000 -0.001 0.000 1.367 347 F CB 0.570 39.569 39.000 -0.001 0.000 0.970 347 F HN -0.177 nan 8.300 nan 0.000 0.514 348 K N -0.183 120.195 120.400 -0.036 0.000 2.374 348 K HA 0.168 4.532 4.320 0.073 0.000 0.196 348 K C -0.181 176.068 176.600 -0.585 0.000 1.023 348 K CA 0.091 56.194 56.287 -0.306 0.000 1.103 348 K CB 0.323 32.577 32.500 -0.411 0.000 0.848 348 K HN 0.115 nan 8.250 nan 0.000 0.528 349 F N 0.340 120.135 119.950 -0.258 0.000 2.450 349 F HA 0.137 4.708 4.527 0.074 0.000 0.328 349 F C 1.287 176.910 175.800 -0.295 0.000 1.068 349 F CA -0.889 56.860 58.000 -0.419 0.000 1.007 349 F CB 0.725 39.053 39.000 -1.120 0.000 1.251 349 F HN -0.167 nan 8.300 nan 0.000 0.492 350 D N 0.430 120.856 120.400 0.044 0.000 2.371 350 D HA -0.023 4.661 4.640 0.073 0.000 0.221 350 D C -0.247 176.176 176.300 0.205 0.000 0.986 350 D CA 1.042 55.134 54.000 0.154 0.000 0.899 350 D CB -0.265 40.708 40.800 0.289 0.000 0.902 350 D HN 0.270 nan 8.370 nan 0.000 0.530 351 F N -1.396 118.648 119.950 0.156 0.000 2.620 351 F HA 0.481 5.052 4.527 0.073 0.000 0.320 351 F C -0.202 175.591 175.800 -0.012 0.000 1.069 351 F CA -1.618 56.397 58.000 0.024 0.000 0.953 351 F CB 0.903 39.882 39.000 -0.034 0.000 1.322 351 F HN -0.414 nan 8.300 nan 0.000 0.479 352 D N 1.475 121.886 120.400 0.020 0.000 2.308 352 D HA 0.223 4.906 4.640 0.073 0.000 0.251 352 D C 0.865 177.080 176.300 -0.141 0.000 1.127 352 D CA -0.080 53.864 54.000 -0.093 0.000 0.876 352 D CB 1.531 42.293 40.800 -0.063 0.000 1.176 352 D HN 0.745 nan 8.370 nan 0.000 0.446 353 L N 3.369 124.437 121.223 -0.258 0.000 2.291 353 L HA -0.062 4.322 4.340 0.073 0.000 0.214 353 L C 2.016 178.731 176.870 -0.258 0.000 1.120 353 L CA 0.483 55.145 54.840 -0.297 0.000 0.799 353 L CB -0.088 41.651 42.059 -0.533 0.000 0.925 353 L HN 0.412 nan 8.230 nan 0.000 0.446 354 L N -0.783 120.316 121.223 -0.207 0.000 2.599 354 L HA 0.047 4.431 4.340 0.073 0.000 0.230 354 L C 0.417 177.199 176.870 -0.147 0.000 1.141 354 L CA 0.016 54.806 54.840 -0.084 0.000 0.877 354 L CB -0.358 41.766 42.059 0.108 0.000 1.009 354 L HN 0.133 nan 8.230 nan 0.000 0.447 355 D N 1.939 122.013 120.400 -0.542 0.000 2.339 355 D HA 0.115 4.799 4.640 0.073 0.000 0.241 355 D C -1.589 174.495 176.300 -0.361 0.000 1.183 355 D CA -2.262 51.212 54.000 -0.876 0.000 0.859 355 D CB 1.542 41.591 40.800 -1.251 0.000 1.067 355 D HN -0.060 nan 8.370 nan 0.000 0.484 356 P HA -0.023 nan 4.420 nan 0.000 0.245 356 P C 0.825 178.025 177.300 -0.166 0.000 1.212 356 P CA 0.521 63.545 63.100 -0.126 0.000 0.774 356 P CB -0.018 31.682 31.700 -0.000 0.000 0.999 357 T N -4.349 110.100 114.554 -0.174 0.000 3.107 357 T HA 0.151 4.545 4.350 0.073 0.000 0.249 357 T C 0.725 175.329 174.700 -0.161 0.000 1.096 357 T CA -0.071 61.934 62.100 -0.157 0.000 1.012 357 T CB -0.155 68.675 68.868 -0.064 0.000 0.977 357 T HN -0.117 nan 8.240 nan 0.000 0.527 358 K N 2.074 122.298 120.400 -0.293 0.000 2.221 358 K HA 0.578 4.942 4.320 0.073 0.000 0.258 358 K C -0.414 176.017 176.600 -0.282 0.000 0.944 358 K CA -0.831 55.182 56.287 -0.457 0.000 0.823 358 K CB 2.288 34.382 32.500 -0.677 0.000 1.113 358 K HN 0.279 nan 8.250 nan 0.000 0.431 359 L N -0.468 120.719 121.223 -0.060 0.000 2.358 359 L HA 0.649 5.033 4.340 0.073 0.000 0.268 359 L C -0.057 176.668 176.870 -0.241 0.000 1.032 359 L CA -0.479 54.281 54.840 -0.133 0.000 0.805 359 L CB 0.360 42.393 42.059 -0.043 0.000 1.253 359 L HN 0.462 nan 8.230 nan 0.000 0.452 360 I N 1.444 121.952 120.570 -0.103 0.000 2.337 360 I HA 0.365 4.579 4.170 0.073 0.000 0.285 360 I C -2.144 174.013 176.117 0.067 0.000 1.041 360 I CA -1.699 59.602 61.300 0.001 0.000 1.199 360 I CB 1.019 39.033 38.000 0.023 0.000 1.370 360 I HN 0.442 nan 8.210 nan 0.000 0.470 361 P HA -0.008 nan 4.420 nan 0.000 0.264 361 P C 0.406 177.784 177.300 0.130 0.000 1.183 361 P CA 0.222 63.380 63.100 0.097 0.000 0.763 361 P CB 0.676 32.425 31.700 0.082 0.000 0.807 362 E N 1.591 121.869 120.200 0.131 0.000 2.274 362 E HA -0.170 4.224 4.350 0.073 0.000 0.194 362 E C 1.404 178.064 176.600 0.099 0.000 0.996 362 E CA 0.708 57.175 56.400 0.112 0.000 0.840 362 E CB 0.017 29.784 29.700 0.112 0.000 0.772 362 E HN 0.512 nan 8.360 nan 0.000 0.491 363 E N 0.395 120.655 120.200 0.099 0.000 2.204 363 E HA -0.138 4.256 4.350 0.073 0.000 0.194 363 E C 2.076 178.742 176.600 0.110 0.000 0.989 363 E CA 0.720 57.173 56.400 0.089 0.000 0.824 363 E CB 0.096 29.841 29.700 0.075 0.000 0.756 363 E HN 0.366 nan 8.360 nan 0.000 0.477 364 L N -0.183 121.131 121.223 0.152 0.000 2.168 364 L HA 0.034 4.418 4.340 0.073 0.000 0.203 364 L C 0.722 177.715 176.870 0.204 0.000 1.078 364 L CA 0.518 55.482 54.840 0.207 0.000 0.780 364 L CB 0.366 42.631 42.059 0.343 0.000 0.939 364 L HN -0.187 nan 8.230 nan 0.000 0.451 365 V N 1.315 121.336 119.914 0.178 0.000 2.385 365 V HA 0.294 4.458 4.120 0.073 0.000 0.277 365 V C -2.357 173.790 176.094 0.088 0.000 1.012 365 V CA -1.508 60.877 62.300 0.142 0.000 0.832 365 V CB 1.199 33.106 31.823 0.139 0.000 1.028 365 V HN -0.024 nan 8.190 nan 0.000 0.436 366 P HA 0.115 nan 4.420 nan 0.000 0.269 366 P C -0.238 177.062 177.300 0.001 0.000 1.215 366 P CA 0.104 63.227 63.100 0.037 0.000 0.780 366 P CB 1.053 32.778 31.700 0.042 0.000 0.898 367 V N 3.224 123.108 119.914 -0.050 0.000 2.408 367 V HA 0.102 4.266 4.120 0.073 0.000 0.267 367 V C 0.876 176.958 176.094 -0.022 0.000 1.047 367 V CA -0.022 62.212 62.300 -0.110 0.000 0.937 367 V CB 0.128 31.796 31.823 -0.258 0.000 0.999 367 V HN 0.553 nan 8.190 nan 0.000 0.472 368 Q N 6.542 126.349 119.800 0.011 0.000 2.279 368 Q HA 0.316 4.700 4.340 0.073 0.000 0.256 368 Q C 0.421 176.417 176.000 -0.006 0.000 0.937 368 Q CA -0.778 55.037 55.803 0.020 0.000 0.933 368 Q CB 0.759 29.522 28.738 0.041 0.000 1.189 368 Q HN 0.819 nan 8.270 nan 0.000 0.417 369 R N 2.663 123.186 120.500 0.038 0.000 2.489 369 R HA 0.085 4.469 4.340 0.073 0.000 0.287 369 R C -0.643 175.697 176.300 0.066 0.000 1.053 369 R CA -0.206 55.958 56.100 0.107 0.000 1.036 369 R CB 0.723 31.158 30.300 0.225 0.000 0.966 369 R HN 0.534 nan 8.270 nan 0.000 0.432 370 V N 2.174 122.031 119.914 -0.095 0.000 3.151 370 V HA 0.320 4.484 4.120 0.073 0.000 0.241 370 V C 0.939 176.807 176.094 -0.376 0.000 1.173 370 V CA 1.153 63.279 62.300 -0.289 0.000 1.154 370 V CB 0.609 31.980 31.823 -0.754 0.000 0.898 370 V HN 1.067 nan 8.190 nan 0.000 0.473 371 G N -0.398 108.049 108.800 -0.589 0.000 2.428 371 G HA2 0.466 4.470 3.960 0.073 0.000 0.304 371 G HA3 0.466 4.470 3.960 0.073 0.000 0.304 371 G C -1.823 172.704 174.900 -0.622 0.000 1.303 371 G CA -0.560 43.883 45.100 -1.096 0.000 0.825 371 G HN 0.043 nan 8.290 nan 0.000 0.484 372 K N -0.424 119.629 120.400 -0.577 0.000 2.316 372 K HA 0.749 5.113 4.320 0.073 0.000 0.251 372 K C -0.933 175.697 176.600 0.050 0.000 0.934 372 K CA -0.787 55.460 56.287 -0.068 0.000 0.802 372 K CB 2.038 34.541 32.500 0.005 0.000 1.171 372 K HN 0.569 nan 8.250 nan 0.000 0.426 373 M N 4.603 124.362 119.600 0.264 0.000 2.253 373 M HA 0.400 4.924 4.480 0.073 0.000 0.314 373 M C -1.805 174.486 176.300 -0.015 0.000 1.019 373 M CA -0.797 54.614 55.300 0.186 0.000 0.932 373 M CB 1.705 34.471 32.600 0.275 0.000 1.606 373 M HN 0.349 nan 8.290 nan 0.000 0.430 374 V N 5.499 125.240 119.914 -0.288 0.000 2.540 374 V HA 0.473 4.637 4.120 0.073 0.000 0.302 374 V C -0.969 175.003 176.094 -0.203 0.000 1.035 374 V CA -0.848 61.303 62.300 -0.247 0.000 0.873 374 V CB 1.850 33.420 31.823 -0.421 0.000 0.992 374 V HN 0.663 nan 8.190 nan 0.000 0.428 375 L N 5.758 126.939 121.223 -0.070 0.000 2.264 375 L HA 0.481 4.865 4.340 0.073 0.000 0.287 375 L C 0.682 177.453 176.870 -0.165 0.000 1.039 375 L CA 0.110 54.912 54.840 -0.064 0.000 0.829 375 L CB 0.883 42.963 42.059 0.034 0.000 1.211 375 L HN 0.873 nan 8.230 nan 0.000 0.427 376 N N 2.185 120.694 118.700 -0.319 0.000 2.197 376 N HA 0.148 4.932 4.740 0.073 0.000 0.228 376 N C 0.067 175.379 175.510 -0.329 0.000 1.212 376 N CA -0.230 52.374 53.050 -0.742 0.000 0.883 376 N CB 0.708 38.422 38.487 -1.289 0.000 1.107 376 N HN 0.362 nan 8.380 nan 0.000 0.519 377 R N 0.413 120.830 120.500 -0.138 0.000 2.515 377 R HA 0.291 4.675 4.340 0.073 0.000 0.278 377 R C -1.146 175.098 176.300 -0.093 0.000 1.107 377 R CA -0.554 55.485 56.100 -0.101 0.000 0.945 377 R CB 1.259 31.507 30.300 -0.086 0.000 1.219 377 R HN 0.072 nan 8.270 nan 0.000 0.434 378 N N 3.176 121.697 118.700 -0.298 0.000 2.399 378 N HA 0.229 5.012 4.740 0.073 0.000 0.250 378 N C -2.249 173.204 175.510 -0.095 0.000 1.272 378 N CA -1.072 51.679 53.050 -0.498 0.000 0.928 378 N CB 0.378 37.910 38.487 -1.592 0.000 1.158 378 N HN 0.301 nan 8.380 nan 0.000 0.463 379 P HA 0.146 nan 4.420 nan 0.000 0.277 379 P C 0.176 177.659 177.300 0.307 0.000 1.276 379 P CA -0.134 63.173 63.100 0.345 0.000 0.788 379 P CB 0.919 32.872 31.700 0.422 0.000 1.114 380 D N -1.360 119.197 120.400 0.262 0.000 2.269 380 D HA -0.012 4.672 4.640 0.073 0.000 0.220 380 D C 0.362 176.837 176.300 0.291 0.000 0.962 380 D CA 1.321 55.468 54.000 0.244 0.000 0.884 380 D CB 0.165 41.049 40.800 0.141 0.000 1.023 380 D HN 0.364 nan 8.370 nan 0.000 0.484 381 N N -0.069 118.798 118.700 0.278 0.000 2.461 381 N HA 0.003 4.787 4.740 0.073 0.000 0.284 381 N C 0.075 175.796 175.510 0.351 0.000 1.049 381 N CA -0.344 52.880 53.050 0.290 0.000 0.889 381 N CB 1.522 40.147 38.487 0.230 0.000 1.365 381 N HN -0.144 nan 8.380 nan 0.000 0.499 382 F N 4.518 124.617 119.950 0.248 0.000 2.095 382 F HA -0.182 4.388 4.527 0.071 0.000 0.298 382 F C 1.629 177.563 175.800 0.224 0.000 1.104 382 F CA 1.518 59.666 58.000 0.248 0.000 1.232 382 F CB -0.105 39.011 39.000 0.194 0.000 0.987 382 F HN 0.594 nan 8.300 nan 0.000 0.475 383 F N 0.929 121.127 119.950 0.413 0.000 2.075 383 F HA -0.151 4.427 4.527 0.086 0.000 0.297 383 F C 2.344 178.206 175.800 0.103 0.000 1.113 383 F CA 1.861 60.019 58.000 0.263 0.000 1.218 383 F CB -0.993 38.131 39.000 0.207 0.000 0.984 383 F HN 0.000 nan 8.300 nan 0.000 0.472 384 A N -0.302 122.679 122.820 0.269 0.000 1.902 384 A HA -0.187 4.177 4.320 0.073 0.000 0.217 384 A C 2.058 179.585 177.584 -0.095 0.000 1.181 384 A CA 2.119 54.212 52.037 0.093 0.000 0.623 384 A CB -0.708 18.395 19.000 0.172 0.000 0.818 384 A HN 0.617 nan 8.150 nan 0.000 0.443 385 E N -1.480 118.680 120.200 -0.066 0.000 2.162 385 E HA -0.050 4.344 4.350 0.073 0.000 0.193 385 E C 1.974 178.495 176.600 -0.131 0.000 0.953 385 E CA 0.404 56.706 56.400 -0.164 0.000 0.849 385 E CB -0.104 29.556 29.700 -0.066 0.000 0.810 385 E HN 0.563 nan 8.360 nan 0.000 0.470 386 N N 1.313 119.922 118.700 -0.153 0.000 2.176 386 N HA -0.157 4.627 4.740 0.073 0.000 0.187 386 N C 1.833 177.161 175.510 -0.303 0.000 1.043 386 N CA 1.327 54.214 53.050 -0.272 0.000 0.851 386 N CB 0.066 37.983 38.487 -0.952 0.000 1.018 386 N HN -0.070 nan 8.380 nan 0.000 0.436 387 E N 0.874 120.837 120.200 -0.395 0.000 2.118 387 E HA -0.103 4.291 4.350 0.073 0.000 0.195 387 E C 1.682 178.090 176.600 -0.320 0.000 0.992 387 E CA 1.462 57.701 56.400 -0.269 0.000 0.804 387 E CB -0.161 29.402 29.700 -0.227 0.000 0.741 387 E HN 0.489 nan 8.360 nan 0.000 0.458 388 Q N -0.331 119.210 119.800 -0.432 0.000 2.444 388 Q HA 0.218 4.602 4.340 0.073 0.000 0.206 388 Q C -0.003 175.874 176.000 -0.205 0.000 0.948 388 Q CA 0.236 55.841 55.803 -0.330 0.000 0.946 388 Q CB 0.399 28.925 28.738 -0.353 0.000 1.027 388 Q HN 0.207 nan 8.270 nan 0.000 0.513 389 A N 1.150 123.865 122.820 -0.175 0.000 2.477 389 A HA 0.464 4.828 4.320 0.073 0.000 0.246 389 A C -0.149 177.326 177.584 -0.181 0.000 1.078 389 A CA 0.140 52.056 52.037 -0.201 0.000 0.770 389 A CB 0.277 19.227 19.000 -0.084 0.000 1.011 389 A HN 0.263 nan 8.150 nan 0.000 0.494 390 A N 2.596 125.244 122.820 -0.288 0.000 2.363 390 A HA 0.683 5.047 4.320 0.073 0.000 0.296 390 A C -0.740 176.727 177.584 -0.195 0.000 1.237 390 A CA -0.420 51.520 52.037 -0.163 0.000 0.773 390 A CB 0.189 19.114 19.000 -0.124 0.000 1.153 390 A HN 0.628 nan 8.150 nan 0.000 0.473 391 F N 1.452 121.390 119.950 -0.021 0.000 2.432 391 F HA 0.662 5.233 4.527 0.073 0.000 0.329 391 F C 0.496 176.228 175.800 -0.113 0.000 1.076 391 F CA -0.085 57.882 58.000 -0.056 0.000 1.018 391 F CB 1.663 40.593 39.000 -0.118 0.000 1.201 391 F HN 0.666 nan 8.300 nan 0.000 0.489 392 H N 3.217 122.113 119.070 -0.290 0.000 3.128 392 H HA 0.264 4.864 4.556 0.074 0.000 0.336 392 H C -2.436 172.529 175.328 -0.604 0.000 1.026 392 H CA -2.676 52.942 56.048 -0.716 0.000 1.376 392 H CB 2.500 31.703 29.762 -0.931 0.000 1.882 392 H HN 0.174 nan 8.280 nan 0.000 0.479 393 P HA -0.025 nan 4.420 nan 0.000 0.225 393 P C 1.123 178.369 177.300 -0.090 0.000 1.148 393 P CA 1.283 64.266 63.100 -0.195 0.000 0.779 393 P CB 0.103 31.723 31.700 -0.133 0.000 0.780 394 G N -1.315 107.139 108.800 -0.577 0.000 2.712 394 G HA2 -0.111 3.893 3.960 0.073 0.000 0.212 394 G HA3 -0.111 3.893 3.960 0.073 0.000 0.212 394 G C 0.334 175.135 174.900 -0.164 0.000 1.142 394 G CA -0.047 44.777 45.100 -0.460 0.000 0.789 394 G HN 0.418 nan 8.290 nan 0.000 0.535 395 H N 0.782 119.722 119.070 -0.217 0.000 3.118 395 H HA 0.377 4.977 4.556 0.073 0.000 0.266 395 H C 0.423 175.783 175.328 0.054 0.000 1.465 395 H CA -0.738 55.259 56.048 -0.086 0.000 1.460 395 H CB 0.059 29.779 29.762 -0.069 0.000 1.661 395 H HN 0.349 nan 8.280 nan 0.000 0.516 396 I N -0.173 120.446 120.570 0.082 0.000 3.133 396 I HA 0.708 4.922 4.170 0.073 0.000 0.311 396 I C -0.181 175.876 176.117 -0.099 0.000 1.072 396 I CA -1.462 59.812 61.300 -0.043 0.000 1.015 396 I CB 1.958 39.831 38.000 -0.212 0.000 1.233 396 I HN 0.168 nan 8.210 nan 0.000 0.473 397 V N -1.851 117.989 119.914 -0.124 0.000 3.141 397 V HA 0.687 4.851 4.120 0.073 0.000 0.312 397 V C -2.850 173.308 176.094 0.106 0.000 1.157 397 V CA -2.594 59.705 62.300 -0.001 0.000 1.041 397 V CB 1.069 32.875 31.823 -0.027 0.000 1.071 397 V HN 0.643 nan 8.190 nan 0.000 0.441 398 P HA 0.366 nan 4.420 nan 0.000 0.262 398 P C 0.854 178.144 177.300 -0.018 0.000 1.182 398 P CA 1.915 65.073 63.100 0.098 0.000 0.761 398 P CB 0.577 32.321 31.700 0.074 0.000 0.795 399 G N 1.712 110.455 108.800 -0.095 0.000 2.211 399 G HA2 -0.145 3.859 3.960 0.073 0.000 0.201 399 G HA3 -0.145 3.859 3.960 0.073 0.000 0.201 399 G C -0.318 174.487 174.900 -0.158 0.000 0.997 399 G CA -0.447 44.580 45.100 -0.122 0.000 0.652 399 G HN 0.451 nan 8.290 nan 0.000 0.500 400 L N 0.017 121.150 121.223 -0.150 0.000 2.333 400 L HA 0.922 5.306 4.340 0.073 0.000 0.263 400 L C -0.755 176.036 176.870 -0.132 0.000 1.014 400 L CA -1.083 53.649 54.840 -0.180 0.000 0.820 400 L CB 2.250 44.130 42.059 -0.298 0.000 1.352 400 L HN 0.070 nan 8.230 nan 0.000 0.421 401 D N -0.473 119.840 120.400 -0.145 0.000 2.639 401 D HA 0.466 5.150 4.640 0.073 0.000 0.271 401 D C -1.236 175.005 176.300 -0.098 0.000 1.254 401 D CA -0.344 53.543 54.000 -0.188 0.000 0.810 401 D CB 2.033 42.789 40.800 -0.074 0.000 1.351 401 D HN 0.130 nan 8.370 nan 0.000 0.427 402 F N -0.167 119.908 119.950 0.208 0.000 2.291 402 F HA 0.513 5.084 4.527 0.073 0.000 0.305 402 F C 1.494 177.318 175.800 0.039 0.000 1.171 402 F CA -0.291 57.767 58.000 0.097 0.000 1.090 402 F CB 1.035 40.063 39.000 0.045 0.000 1.436 402 F HN 0.182 nan 8.300 nan 0.000 0.509 403 T N -3.177 111.471 114.554 0.156 0.000 2.864 403 T HA 0.297 4.691 4.350 0.073 0.000 0.289 403 T C 0.029 174.757 174.700 0.046 0.000 1.082 403 T CA -1.012 61.157 62.100 0.115 0.000 1.009 403 T CB 1.251 70.160 68.868 0.068 0.000 1.234 403 T HN 0.352 nan 8.240 nan 0.000 0.526 404 N N 1.093 119.829 118.700 0.059 0.000 2.571 404 N HA 0.010 4.794 4.740 0.073 0.000 0.189 404 N C 0.192 175.710 175.510 0.013 0.000 1.154 404 N CA 0.209 53.278 53.050 0.032 0.000 0.907 404 N CB -0.527 37.995 38.487 0.059 0.000 0.977 404 N HN 0.705 nan 8.380 nan 0.000 0.449 405 D N 2.143 122.537 120.400 -0.010 0.000 2.793 405 D HA -0.100 4.584 4.640 0.073 0.000 0.230 405 D C -1.338 174.956 176.300 -0.010 0.000 1.139 405 D CA -0.766 53.248 54.000 0.024 0.000 0.838 405 D CB 1.184 41.941 40.800 -0.071 0.000 1.149 405 D HN 0.170 nan 8.370 nan 0.000 0.526 406 P HA -0.100 nan 4.420 nan 0.000 0.233 406 P C 1.526 178.842 177.300 0.027 0.000 1.167 406 P CA 0.097 63.213 63.100 0.027 0.000 0.770 406 P CB 0.446 32.155 31.700 0.014 0.000 0.837 407 L N -0.191 121.069 121.223 0.062 0.000 2.084 407 L HA 0.007 4.391 4.340 0.073 0.000 0.202 407 L C 2.400 179.210 176.870 -0.100 0.000 1.074 407 L CA 1.267 56.145 54.840 0.065 0.000 0.757 407 L CB -1.661 40.529 42.059 0.219 0.000 0.918 407 L HN -0.174 nan 8.230 nan 0.000 0.444 408 L N -0.321 120.670 121.223 -0.388 0.000 2.013 408 L HA -0.259 4.125 4.340 0.073 0.000 0.212 408 L C 2.499 179.139 176.870 -0.384 0.000 1.073 408 L CA 1.862 56.260 54.840 -0.736 0.000 0.753 408 L CB -1.008 40.349 42.059 -1.171 0.000 0.890 408 L HN 0.404 nan 8.230 nan 0.000 0.432 409 Q N -0.284 119.347 119.800 -0.280 0.000 2.077 409 Q HA -0.185 4.199 4.340 0.073 0.000 0.206 409 Q C 2.100 178.029 176.000 -0.120 0.000 0.989 409 Q CA 1.945 57.629 55.803 -0.198 0.000 0.853 409 Q CB -0.884 27.783 28.738 -0.118 0.000 0.907 409 Q HN 0.708 nan 8.270 nan 0.000 0.418 410 G N 0.377 109.137 108.800 -0.066 0.000 2.430 410 G HA2 -0.198 3.806 3.960 0.073 0.000 0.216 410 G HA3 -0.198 3.806 3.960 0.073 0.000 0.216 410 G C 1.501 176.424 174.900 0.038 0.000 1.146 410 G CA 0.184 45.287 45.100 0.005 0.000 0.793 410 G HN 0.249 nan 8.290 nan 0.000 0.537 411 R N -0.014 120.469 120.500 -0.028 0.000 2.117 411 R HA -0.030 4.354 4.340 0.073 0.000 0.243 411 R C 2.475 178.873 176.300 0.164 0.000 1.143 411 R CA 1.042 57.185 56.100 0.072 0.000 0.968 411 R CB -0.525 29.816 30.300 0.067 0.000 0.863 411 R HN 0.347 nan 8.270 nan 0.000 0.444 412 L N -0.452 120.787 121.223 0.027 0.000 2.187 412 L HA -0.200 4.184 4.340 0.073 0.000 0.213 412 L C 2.257 179.250 176.870 0.204 0.000 1.100 412 L CA 1.093 55.963 54.840 0.049 0.000 0.765 412 L CB -0.428 41.474 42.059 -0.260 0.000 0.904 412 L HN 0.168 nan 8.230 nan 0.000 0.437 413 F N -0.116 119.850 119.950 0.028 0.000 2.219 413 F HA -0.124 4.448 4.527 0.074 0.000 0.294 413 F C 2.750 178.545 175.800 -0.008 0.000 1.086 413 F CA 1.364 59.376 58.000 0.020 0.000 1.330 413 F CB -0.229 38.768 39.000 -0.005 0.000 1.047 413 F HN -0.076 nan 8.300 nan 0.000 0.495 414 S N -0.492 115.176 115.700 -0.054 0.000 2.356 414 S HA -0.239 4.275 4.470 0.073 0.000 0.223 414 S C 2.085 176.439 174.600 -0.411 0.000 1.032 414 S CA 1.755 59.813 58.200 -0.238 0.000 1.005 414 S CB -0.805 62.316 63.200 -0.132 0.000 0.867 414 S HN 0.553 nan 8.310 nan 0.000 0.449 415 Y N 1.567 121.499 120.300 -0.613 0.000 2.242 415 Y HA -0.085 4.509 4.550 0.073 0.000 0.291 415 Y C 2.980 178.422 175.900 -0.764 0.000 1.137 415 Y CA 1.426 59.052 58.100 -0.790 0.000 1.181 415 Y CB -0.906 36.888 38.460 -1.111 0.000 0.989 415 Y HN 0.267 nan 8.280 nan 0.000 0.527 416 T N -0.452 113.751 114.554 -0.586 0.000 2.674 416 T HA -0.235 4.159 4.350 0.073 0.000 0.265 416 T C 1.440 175.951 174.700 -0.315 0.000 1.039 416 T CA 1.768 63.690 62.100 -0.296 0.000 1.150 416 T CB -0.511 68.289 68.868 -0.113 0.000 0.864 416 T HN 0.359 nan 8.240 nan 0.000 0.427 417 D N 0.423 120.559 120.400 -0.441 0.000 2.104 417 D HA -0.118 4.566 4.640 0.073 0.000 0.194 417 D C 2.320 178.460 176.300 -0.268 0.000 0.994 417 D CA 1.625 55.390 54.000 -0.391 0.000 0.830 417 D CB -0.505 39.903 40.800 -0.653 0.000 0.959 417 D HN 0.263 nan 8.370 nan 0.000 0.452 418 T N -1.035 113.345 114.554 -0.290 0.000 2.833 418 T HA -0.151 4.243 4.350 0.073 0.000 0.269 418 T C 1.856 176.425 174.700 -0.219 0.000 1.054 418 T CA 1.452 63.420 62.100 -0.220 0.000 1.135 418 T CB -0.216 68.511 68.868 -0.236 0.000 0.869 418 T HN 0.224 nan 8.240 nan 0.000 0.466 419 Q N -0.024 119.586 119.800 -0.317 0.000 2.226 419 Q HA -0.025 4.359 4.340 0.073 0.000 0.204 419 Q C 2.142 178.002 176.000 -0.234 0.000 0.975 419 Q CA 0.991 56.552 55.803 -0.403 0.000 0.866 419 Q CB -0.100 28.120 28.738 -0.863 0.000 0.915 419 Q HN 0.468 nan 8.270 nan 0.000 0.440 420 I N 0.367 120.865 120.570 -0.120 0.000 2.454 420 I HA -0.210 4.004 4.170 0.073 0.000 0.254 420 I C 2.235 178.354 176.117 0.004 0.000 1.156 420 I CA 1.546 62.852 61.300 0.009 0.000 1.433 420 I CB -1.205 36.807 38.000 0.021 0.000 1.082 420 I HN 0.216 nan 8.210 nan 0.000 0.432 421 S N -0.050 115.631 115.700 -0.031 0.000 2.502 421 S HA 0.012 4.526 4.470 0.073 0.000 0.228 421 S C 2.109 176.699 174.600 -0.015 0.000 1.061 421 S CA -0.132 58.062 58.200 -0.010 0.000 0.935 421 S CB -0.185 63.009 63.200 -0.011 0.000 0.809 421 S HN 0.253 nan 8.310 nan 0.000 0.510 422 R N 1.155 121.627 120.500 -0.046 0.000 2.083 422 R HA 0.114 4.498 4.340 0.073 0.000 0.237 422 R C 1.264 177.549 176.300 -0.026 0.000 1.137 422 R CA 1.606 57.682 56.100 -0.041 0.000 0.951 422 R CB -0.355 29.900 30.300 -0.075 0.000 0.851 422 R HN 0.458 nan 8.270 nan 0.000 0.434 423 L N -0.463 120.741 121.223 -0.031 0.000 2.741 423 L HA 0.325 4.709 4.340 0.073 0.000 0.237 423 L C 0.864 177.765 176.870 0.051 0.000 1.178 423 L CA 0.239 55.083 54.840 0.007 0.000 0.973 423 L CB 0.900 42.971 42.059 0.020 0.000 1.255 423 L HN 0.584 nan 8.230 nan 0.000 0.498 424 G N 0.050 108.876 108.800 0.044 0.000 2.168 424 G HA2 -0.148 3.856 3.960 0.073 0.000 0.263 424 G HA3 -0.148 3.856 3.960 0.073 0.000 0.263 424 G C 0.461 175.408 174.900 0.079 0.000 0.977 424 G CA 0.129 45.261 45.100 0.054 0.000 0.659 424 G HN 0.791 nan 8.290 nan 0.000 0.533 425 G N -1.842 107.028 108.800 0.116 0.000 2.341 425 G HA2 0.612 4.616 3.960 0.073 0.000 0.293 425 G HA3 0.612 4.616 3.960 0.073 0.000 0.293 425 G C -2.276 172.761 174.900 0.227 0.000 1.298 425 G CA 0.354 45.535 45.100 0.134 0.000 0.868 425 G HN 0.420 nan 8.290 nan 0.000 0.540 426 P HA 0.134 nan 4.420 nan 0.000 0.255 426 P C 0.226 177.536 177.300 0.018 0.000 1.248 426 P CA 0.306 63.517 63.100 0.184 0.000 0.807 426 P CB 0.260 32.032 31.700 0.120 0.000 1.150 427 N N 0.404 119.107 118.700 0.005 0.000 2.327 427 N HA 0.070 4.854 4.740 0.073 0.000 0.231 427 N C 0.998 176.333 175.510 -0.292 0.000 1.130 427 N CA -0.174 52.781 53.050 -0.160 0.000 0.845 427 N CB -0.501 37.937 38.487 -0.083 0.000 1.073 427 N HN 0.258 nan 8.380 nan 0.000 0.496 428 F N 0.746 120.698 119.950 0.002 0.000 2.365 428 F HA -0.048 4.522 4.527 0.072 0.000 0.300 428 F C 2.229 177.989 175.800 -0.066 0.000 1.090 428 F CA 0.698 58.671 58.000 -0.044 0.000 1.408 428 F CB -0.761 38.227 39.000 -0.020 0.000 1.060 428 F HN 0.152 nan 8.300 nan 0.000 0.534 429 H N 0.568 119.159 119.070 -0.798 0.000 2.545 429 H HA 0.043 4.643 4.556 0.074 0.000 0.282 429 H C 0.763 175.919 175.328 -0.288 0.000 1.020 429 H CA 1.372 57.138 56.048 -0.470 0.000 1.243 429 H CB -0.753 28.627 29.762 -0.637 0.000 1.377 429 H HN 0.543 nan 8.280 nan 0.000 0.581 430 E N 0.853 120.624 120.200 -0.716 0.000 2.474 430 E HA 0.193 4.587 4.350 0.073 0.000 0.194 430 E C 0.307 176.786 176.600 -0.202 0.000 1.041 430 E CA -0.286 55.851 56.400 -0.437 0.000 0.874 430 E CB 0.585 30.042 29.700 -0.404 0.000 0.914 430 E HN 0.415 nan 8.360 nan 0.000 0.498 431 I N 2.704 123.178 120.570 -0.161 0.000 2.598 431 I HA -0.035 4.179 4.170 0.073 0.000 0.284 431 I C -1.558 174.497 176.117 -0.104 0.000 1.140 431 I CA -1.572 59.666 61.300 -0.103 0.000 1.420 431 I CB 0.646 38.598 38.000 -0.080 0.000 1.387 431 I HN -0.193 nan 8.210 nan 0.000 0.553 432 P HA -0.272 nan 4.420 nan 0.000 0.217 432 P C 1.715 178.941 177.300 -0.124 0.000 1.162 432 P CA 1.411 64.455 63.100 -0.093 0.000 0.901 432 P CB 0.161 31.817 31.700 -0.072 0.000 0.793 433 I N -0.914 119.551 120.570 -0.174 0.000 2.361 433 I HA -0.185 4.029 4.170 0.073 0.000 0.251 433 I C 1.395 177.412 176.117 -0.167 0.000 1.133 433 I CA 1.680 62.821 61.300 -0.266 0.000 1.413 433 I CB -0.675 37.047 38.000 -0.463 0.000 1.073 433 I HN -0.104 nan 8.210 nan 0.000 0.424 434 N N 0.689 119.314 118.700 -0.125 0.000 2.446 434 N HA -0.000 4.784 4.740 0.073 0.000 0.179 434 N C 0.433 175.938 175.510 -0.008 0.000 1.054 434 N CA 0.271 53.279 53.050 -0.069 0.000 0.905 434 N CB -0.205 38.271 38.487 -0.019 0.000 0.973 434 N HN 0.373 nan 8.380 nan 0.000 0.448 435 R N 1.703 122.194 120.500 -0.015 0.000 2.570 435 R HA 0.105 4.489 4.340 0.073 0.000 0.277 435 R C -2.136 174.216 176.300 0.086 0.000 1.039 435 R CA -1.067 55.031 56.100 -0.004 0.000 1.065 435 R CB -0.112 30.174 30.300 -0.023 0.000 0.964 435 R HN 0.077 nan 8.270 nan 0.000 0.428 436 P HA -0.019 nan 4.420 nan 0.000 0.270 436 P C 0.447 177.814 177.300 0.112 0.000 1.223 436 P CA 0.011 63.178 63.100 0.112 0.000 0.785 436 P CB 0.649 32.377 31.700 0.047 0.000 0.923 437 T N -2.842 111.789 114.554 0.128 0.000 3.037 437 T HA 0.068 4.462 4.350 0.073 0.000 0.252 437 T C 0.980 175.722 174.700 0.071 0.000 1.073 437 T CA 0.070 62.207 62.100 0.062 0.000 1.091 437 T CB -0.942 67.950 68.868 0.040 0.000 0.935 437 T HN 0.610 nan 8.240 nan 0.000 0.488 438 C N 1.631 120.987 119.300 0.093 0.000 2.403 438 C HA 0.765 5.269 4.460 0.073 0.000 0.361 438 C C -2.479 172.567 174.990 0.093 0.000 1.274 438 C CA -2.489 56.582 59.018 0.088 0.000 2.433 438 C CB 0.081 27.877 27.740 0.093 0.000 2.323 438 C HN 0.174 nan 8.230 nan 0.000 0.614 439 P HA 0.311 nan 4.420 nan 0.000 0.268 439 P C -1.219 176.142 177.300 0.101 0.000 1.205 439 P CA 0.421 63.577 63.100 0.095 0.000 0.771 439 P CB -0.019 31.787 31.700 0.176 0.000 0.858 440 Y N 0.373 120.551 120.300 -0.203 0.000 2.386 440 Y HA 0.677 5.271 4.550 0.073 0.000 0.334 440 Y C -1.436 174.173 175.900 -0.485 0.000 1.002 440 Y CA -0.978 57.001 58.100 -0.202 0.000 1.068 440 Y CB 1.402 39.767 38.460 -0.159 0.000 1.203 440 Y HN 0.417 nan 8.280 nan 0.000 0.443 441 H N 3.817 122.774 119.070 -0.188 0.000 2.966 441 H HA 0.517 5.118 4.556 0.074 0.000 0.347 441 H C -1.141 174.063 175.328 -0.206 0.000 1.048 441 H CA -0.742 55.121 56.048 -0.308 0.000 1.295 441 H CB 1.590 31.206 29.762 -0.242 0.000 1.744 441 H HN 0.898 nan 8.280 nan 0.000 0.513 442 N N 0.528 119.119 118.700 -0.181 0.000 3.449 442 N HA 0.215 4.999 4.740 0.073 0.000 0.312 442 N C -1.077 174.198 175.510 -0.392 0.000 1.582 442 N CA -0.907 52.012 53.050 -0.218 0.000 0.850 442 N CB 0.750 39.255 38.487 0.030 0.000 1.822 442 N HN 0.275 nan 8.380 nan 0.000 0.577 443 F N -0.286 119.707 119.950 0.071 0.000 2.639 443 F HA 0.364 4.935 4.527 0.073 0.000 0.302 443 F C 0.335 176.179 175.800 0.073 0.000 1.097 443 F CA -0.372 57.666 58.000 0.063 0.000 1.294 443 F CB 0.178 39.211 39.000 0.056 0.000 1.027 443 F HN 0.130 nan 8.300 nan 0.000 0.550 444 Q N 1.435 121.346 119.800 0.186 0.000 2.352 444 Q HA 0.444 4.828 4.340 0.073 0.000 0.260 444 Q C 0.067 176.145 176.000 0.129 0.000 0.976 444 Q CA -0.099 55.792 55.803 0.147 0.000 0.881 444 Q CB 1.117 29.919 28.738 0.107 0.000 1.235 444 Q HN 0.084 nan 8.270 nan 0.000 0.419 445 R N 1.290 121.859 120.500 0.115 0.000 2.817 445 R HA 0.356 4.740 4.340 0.073 0.000 0.268 445 R C -0.811 175.537 176.300 0.081 0.000 1.027 445 R CA -0.660 55.498 56.100 0.097 0.000 0.928 445 R CB 1.152 31.512 30.300 0.099 0.000 1.228 445 R HN 0.725 nan 8.270 nan 0.000 0.469 446 D N -0.386 120.052 120.400 0.064 0.000 3.605 446 D HA -0.107 4.577 4.640 0.073 0.000 0.258 446 D C 0.251 176.584 176.300 0.056 0.000 1.916 446 D CA 2.024 56.055 54.000 0.052 0.000 1.155 446 D CB -0.891 39.940 40.800 0.051 0.000 0.854 446 D HN 0.890 nan 8.370 nan 0.000 1.047 447 G N -1.633 107.198 108.800 0.052 0.000 2.675 447 G HA2 0.261 4.265 3.960 0.073 0.000 0.686 447 G HA3 0.261 4.265 3.960 0.073 0.000 0.686 447 G C -0.281 174.653 174.900 0.057 0.000 1.215 447 G CA -0.053 45.083 45.100 0.059 0.000 0.777 447 G HN 0.815 nan 8.290 nan 0.000 0.638 448 M N 1.275 120.916 119.600 0.067 0.000 2.245 448 M HA 0.425 4.949 4.480 0.073 0.000 0.335 448 M C 1.109 177.486 176.300 0.128 0.000 1.155 448 M CA 1.305 56.654 55.300 0.081 0.000 1.055 448 M CB -0.542 32.109 32.600 0.085 0.000 1.670 448 M HN 1.563 nan 8.290 nan 0.000 0.447 449 H N 0.841 119.916 119.070 0.008 0.000 2.677 449 H HA -0.185 4.413 4.556 0.071 0.000 0.321 449 H C -0.713 174.604 175.328 -0.018 0.000 1.171 449 H CA 0.898 56.945 56.048 -0.002 0.000 1.139 449 H CB -0.704 29.058 29.762 0.001 0.000 1.515 449 H HN 0.616 nan 8.280 nan 0.000 0.423 450 R N 1.426 121.919 120.500 -0.011 0.000 2.296 450 R HA 0.092 4.476 4.340 0.073 0.000 0.323 450 R C 0.954 177.229 176.300 -0.042 0.000 1.067 450 R CA -0.045 56.050 56.100 -0.008 0.000 0.946 450 R CB 0.285 30.587 30.300 0.002 0.000 0.991 450 R HN 0.360 nan 8.270 nan 0.000 0.448 451 M N 2.560 122.152 119.600 -0.014 0.000 2.412 451 M HA 0.217 4.741 4.480 0.073 0.000 0.263 451 M C 1.031 177.319 176.300 -0.019 0.000 1.122 451 M CA 0.957 56.247 55.300 -0.017 0.000 1.179 451 M CB -0.849 31.753 32.600 0.004 0.000 1.335 451 M HN 0.690 nan 8.290 nan 0.000 0.465 452 G N 1.795 110.591 108.800 -0.007 0.000 2.398 452 G HA2 0.397 4.401 3.960 0.073 0.000 0.246 452 G HA3 0.397 4.401 3.960 0.073 0.000 0.246 452 G C -0.366 174.527 174.900 -0.012 0.000 1.289 452 G CA -0.400 44.695 45.100 -0.009 0.000 0.869 452 G HN 0.334 nan 8.290 nan 0.000 0.543 453 I N 2.621 123.177 120.570 -0.022 0.000 2.347 453 I HA 0.107 4.321 4.170 0.073 0.000 0.283 453 I C -0.279 175.827 176.117 -0.019 0.000 1.058 453 I CA -0.552 60.738 61.300 -0.016 0.000 1.202 453 I CB 0.883 38.873 38.000 -0.017 0.000 1.386 453 I HN 0.360 nan 8.210 nan 0.000 0.475 454 D N 4.562 124.956 120.400 -0.011 0.000 2.390 454 D HA 0.048 4.732 4.640 0.073 0.000 0.249 454 D C 1.211 177.510 176.300 -0.001 0.000 1.144 454 D CA 0.359 54.351 54.000 -0.013 0.000 0.880 454 D CB 1.817 42.618 40.800 0.001 0.000 1.182 454 D HN 0.558 nan 8.370 nan 0.000 0.451 455 T N -0.854 113.696 114.554 -0.008 0.000 3.023 455 T HA -0.056 4.338 4.350 0.073 0.000 0.253 455 T C 0.842 175.547 174.700 0.008 0.000 1.038 455 T CA -0.530 61.569 62.100 -0.002 0.000 0.962 455 T CB 0.206 69.067 68.868 -0.013 0.000 1.018 455 T HN 0.124 nan 8.240 nan 0.000 0.521 456 N N 3.479 122.184 118.700 0.008 0.000 2.359 456 N HA 0.083 4.867 4.740 0.073 0.000 0.261 456 N C -1.662 173.882 175.510 0.057 0.000 1.267 456 N CA -1.472 51.595 53.050 0.028 0.000 0.864 456 N CB 1.399 39.900 38.487 0.024 0.000 1.063 456 N HN 0.068 nan 8.380 nan 0.000 0.474 457 P HA -0.034 nan 4.420 nan 0.000 0.219 457 P C -0.562 176.798 177.300 0.101 0.000 1.146 457 P CA 1.013 64.156 63.100 0.073 0.000 0.808 457 P CB 0.222 31.960 31.700 0.064 0.000 0.779 458 A N 0.463 123.336 122.820 0.088 0.000 2.325 458 A HA 0.465 4.829 4.320 0.073 0.000 0.333 458 A C 0.356 178.056 177.584 0.194 0.000 1.155 458 A CA -0.686 51.372 52.037 0.035 0.000 0.814 458 A CB 0.284 19.108 19.000 -0.293 0.000 1.206 458 A HN 0.250 nan 8.150 nan 0.000 0.482 459 N N -0.170 118.691 118.700 0.269 0.000 2.351 459 N HA 0.367 5.151 4.740 0.073 0.000 0.254 459 N C -0.879 174.818 175.510 0.311 0.000 1.241 459 N CA -0.356 52.925 53.050 0.384 0.000 0.883 459 N CB 0.337 38.990 38.487 0.277 0.000 1.202 459 N HN 0.688 nan 8.380 nan 0.000 0.512 460 Y N -1.053 119.156 120.300 -0.153 0.000 2.609 460 Y HA 0.679 5.273 4.550 0.073 0.000 0.336 460 Y C -1.563 173.765 175.900 -0.953 0.000 1.129 460 Y CA -1.368 56.443 58.100 -0.481 0.000 1.040 460 Y CB 1.061 39.397 38.460 -0.206 0.000 1.310 460 Y HN 0.066 nan 8.280 nan 0.000 0.460 461 E N 0.938 120.688 120.200 -0.751 0.000 2.331 461 E HA 0.652 5.046 4.350 0.073 0.000 0.275 461 E C -3.213 173.279 176.600 -0.180 0.000 0.895 461 E CA -1.987 54.057 56.400 -0.593 0.000 0.753 461 E CB 1.830 31.114 29.700 -0.694 0.000 1.216 461 E HN 0.559 nan 8.360 nan 0.000 0.434 462 P HA 0.329 nan 4.420 nan 0.000 0.278 462 P C -1.306 175.959 177.300 -0.059 0.000 1.238 462 P CA -0.526 62.509 63.100 -0.109 0.000 0.794 462 P CB 0.615 32.283 31.700 -0.052 0.000 0.955 463 N N -1.478 117.114 118.700 -0.181 0.000 2.229 463 N HA 0.355 5.139 4.740 0.073 0.000 0.298 463 N C 0.351 175.820 175.510 -0.068 0.000 1.114 463 N CA -0.768 52.181 53.050 -0.168 0.000 0.776 463 N CB 1.511 39.609 38.487 -0.649 0.000 1.501 463 N HN 0.189 nan 8.380 nan 0.000 0.474 464 S N 0.920 116.627 115.700 0.012 0.000 2.483 464 S HA -0.030 4.484 4.470 0.073 0.000 0.221 464 S C 1.637 176.252 174.600 0.025 0.000 1.030 464 S CA 0.106 58.314 58.200 0.012 0.000 0.925 464 S CB -0.815 62.403 63.200 0.030 0.000 0.795 464 S HN 0.722 nan 8.310 nan 0.000 0.511 465 I N -0.247 120.347 120.570 0.041 0.000 2.567 465 I HA 0.111 4.325 4.170 0.073 0.000 0.257 465 I C 1.344 177.492 176.117 0.051 0.000 1.184 465 I CA 1.577 62.910 61.300 0.054 0.000 1.451 465 I CB -0.406 37.647 38.000 0.087 0.000 1.089 465 I HN 0.209 nan 8.210 nan 0.000 0.441 466 N N 1.087 119.813 118.700 0.045 0.000 2.291 466 N HA 0.041 4.825 4.740 0.073 0.000 0.244 466 N C -0.122 175.493 175.510 0.175 0.000 1.216 466 N CA -0.062 53.053 53.050 0.108 0.000 0.879 466 N CB -0.024 38.540 38.487 0.127 0.000 1.167 466 N HN 0.244 nan 8.380 nan 0.000 0.515 467 D N 0.789 121.243 120.400 0.091 0.000 2.708 467 D HA -0.261 4.423 4.640 0.073 0.000 0.236 467 D C -0.104 176.110 176.300 -0.144 0.000 1.146 467 D CA 1.073 55.095 54.000 0.037 0.000 0.662 467 D CB -1.406 39.483 40.800 0.148 0.000 1.059 467 D HN 0.475 nan 8.370 nan 0.000 0.428 468 N N -1.602 117.033 118.700 -0.108 0.000 2.753 468 N HA -0.246 4.538 4.740 0.073 0.000 0.251 468 N C -0.828 174.614 175.510 -0.113 0.000 1.097 468 N CA 1.416 54.373 53.050 -0.154 0.000 0.786 468 N CB -1.278 37.072 38.487 -0.228 0.000 1.137 468 N HN 0.553 nan 8.380 nan 0.000 0.566 469 W N 0.882 122.227 121.300 0.075 0.000 2.381 469 W HA 0.452 5.156 4.660 0.073 0.000 0.329 469 W C -1.627 174.918 176.519 0.044 0.000 1.157 469 W CA -1.666 55.707 57.345 0.047 0.000 1.240 469 W CB 0.517 29.955 29.460 -0.037 0.000 1.199 469 W HN -0.035 nan 8.180 nan 0.000 0.579 470 P HA 0.156 nan 4.420 nan 0.000 0.271 470 P C -0.664 176.775 177.300 0.231 0.000 1.218 470 P CA -0.067 63.166 63.100 0.221 0.000 0.780 470 P CB 0.913 32.603 31.700 -0.017 0.000 0.901 471 R N 1.191 121.804 120.500 0.188 0.000 2.540 471 R HA 0.294 4.677 4.340 0.073 0.000 0.287 471 R C 0.415 176.745 176.300 0.049 0.000 0.980 471 R CA -0.770 55.320 56.100 -0.017 0.000 0.966 471 R CB 1.057 31.135 30.300 -0.370 0.000 1.106 471 R HN 0.498 nan 8.270 nan 0.000 0.480 472 E N 0.584 120.801 120.200 0.029 0.000 2.438 472 E HA 0.016 4.410 4.350 0.073 0.000 0.261 472 E C -0.574 176.045 176.600 0.033 0.000 1.103 472 E CA 0.733 57.160 56.400 0.047 0.000 0.959 472 E CB 0.671 30.389 29.700 0.030 0.000 0.958 472 E HN 0.371 nan 8.360 nan 0.000 0.447 473 T N 3.396 117.981 114.554 0.051 0.000 2.879 473 T HA 0.326 4.720 4.350 0.073 0.000 0.290 473 T C -2.490 172.233 174.700 0.039 0.000 0.993 473 T CA -1.550 60.578 62.100 0.047 0.000 0.975 473 T CB 1.490 70.398 68.868 0.067 0.000 0.981 473 T HN 0.235 nan 8.240 nan 0.000 0.439 474 P HA 0.205 nan 4.420 nan 0.000 0.267 474 P C -2.443 174.865 177.300 0.013 0.000 1.200 474 P CA -1.139 61.969 63.100 0.014 0.000 0.772 474 P CB -0.429 31.274 31.700 0.004 0.000 0.855 475 P HA 0.224 nan 4.420 nan 0.000 0.268 475 P C 0.081 177.371 177.300 -0.017 0.000 1.208 475 P CA 0.492 63.580 63.100 -0.020 0.000 0.777 475 P CB 0.522 32.191 31.700 -0.052 0.000 0.875 476 G N 1.020 109.809 108.800 -0.019 0.000 2.495 476 G HA2 0.400 4.404 3.960 0.073 0.000 0.294 476 G HA3 0.400 4.404 3.960 0.073 0.000 0.294 476 G C -2.649 172.240 174.900 -0.017 0.000 1.397 476 G CA -0.801 44.290 45.100 -0.014 0.000 0.790 476 G HN 0.084 nan 8.290 nan 0.000 0.486 477 P HA 0.073 nan 4.420 nan 0.000 0.218 477 P C 0.114 177.409 177.300 -0.008 0.000 1.149 477 P CA 1.216 64.307 63.100 -0.016 0.000 0.817 477 P CB 0.155 31.849 31.700 -0.012 0.000 0.785 478 K N -1.878 118.524 120.400 0.004 0.000 2.525 478 K HA 0.355 4.719 4.320 0.073 0.000 0.254 478 K C -0.398 176.217 176.600 0.026 0.000 0.934 478 K CA -0.839 55.457 56.287 0.015 0.000 0.802 478 K CB 1.770 34.280 32.500 0.016 0.000 1.295 478 K HN -0.321 nan 8.250 nan 0.000 0.433 479 R N -0.342 120.181 120.500 0.037 0.000 3.641 479 R HA -0.137 4.247 4.340 0.073 0.000 0.286 479 R C 0.165 176.493 176.300 0.047 0.000 1.153 479 R CA 1.268 57.397 56.100 0.048 0.000 0.775 479 R CB -2.326 28.001 30.300 0.046 0.000 1.215 479 R HN 1.035 nan 8.270 nan 0.000 0.474 480 G N -0.990 107.834 108.800 0.039 0.000 2.488 480 G HA2 0.620 4.624 3.960 0.073 0.000 0.318 480 G HA3 0.620 4.624 3.960 0.073 0.000 0.318 480 G C 0.337 175.271 174.900 0.056 0.000 1.188 480 G CA 0.048 45.170 45.100 0.037 0.000 0.944 480 G HN 0.260 nan 8.290 nan 0.000 0.495 481 G N -1.234 107.602 108.800 0.060 0.000 2.594 481 G HA2 0.395 4.399 3.960 0.073 0.000 0.243 481 G HA3 0.395 4.399 3.960 0.073 0.000 0.243 481 G C -0.597 174.370 174.900 0.112 0.000 1.229 481 G CA -0.506 44.651 45.100 0.095 0.000 0.843 481 G HN 0.481 nan 8.290 nan 0.000 0.578 482 F N 0.492 120.450 119.950 0.013 0.000 2.456 482 F HA 0.421 4.993 4.527 0.074 0.000 0.358 482 F C 0.506 176.312 175.800 0.010 0.000 1.095 482 F CA -0.280 57.721 58.000 0.002 0.000 1.216 482 F CB 0.913 39.912 39.000 -0.002 0.000 1.125 482 F HN 0.457 nan 8.300 nan 0.000 0.549 483 E N 4.129 124.049 120.200 -0.467 0.000 2.275 483 E HA 0.326 4.720 4.350 0.073 0.000 0.270 483 E C -1.236 175.051 176.600 -0.522 0.000 0.882 483 E CA -0.787 55.453 56.400 -0.266 0.000 0.758 483 E CB 1.680 31.290 29.700 -0.150 0.000 1.195 483 E HN 0.652 nan 8.360 nan 0.000 0.419 484 S N 2.167 117.771 115.700 -0.160 0.000 2.603 484 S HA 0.060 4.574 4.470 0.073 0.000 0.268 484 S C -0.633 173.930 174.600 -0.061 0.000 1.317 484 S CA -0.446 57.706 58.200 -0.079 0.000 1.012 484 S CB 0.261 63.566 63.200 0.175 0.000 0.926 484 S HN 0.492 nan 8.310 nan 0.000 0.539 485 Y N 2.068 122.287 120.300 -0.134 0.000 2.544 485 Y HA 0.025 4.619 4.550 0.073 0.000 0.330 485 Y C 0.839 176.712 175.900 -0.046 0.000 1.136 485 Y CA 0.007 58.044 58.100 -0.106 0.000 1.417 485 Y CB 0.114 38.511 38.460 -0.105 0.000 1.229 485 Y HN 0.576 nan 8.280 nan 0.000 0.532 486 Q N 5.346 124.803 119.800 -0.572 0.000 3.141 486 Q HA -0.025 4.359 4.340 0.073 0.000 0.304 486 Q C -0.089 175.608 176.000 -0.505 0.000 1.305 486 Q CA 0.049 55.598 55.803 -0.424 0.000 0.929 486 Q CB -0.294 28.266 28.738 -0.296 0.000 1.701 486 Q HN 0.671 nan 8.270 nan 0.000 0.483 487 E N 1.539 121.504 120.200 -0.391 0.000 2.413 487 E HA -0.017 4.377 4.350 0.073 0.000 0.263 487 E C -0.110 176.448 176.600 -0.071 0.000 1.015 487 E CA -0.507 55.797 56.400 -0.160 0.000 0.916 487 E CB 0.647 30.401 29.700 0.091 0.000 0.947 487 E HN 0.163 nan 8.360 nan 0.000 0.440 488 R N 3.154 123.638 120.500 -0.027 0.000 2.298 488 R HA 0.226 4.610 4.340 0.073 0.000 0.310 488 R C -1.578 174.740 176.300 0.030 0.000 1.068 488 R CA -0.311 55.787 56.100 -0.003 0.000 0.957 488 R CB 0.861 31.167 30.300 0.010 0.000 1.003 488 R HN 0.263 nan 8.270 nan 0.000 0.454 489 V N 4.591 124.516 119.914 0.019 0.000 2.513 489 V HA 0.485 4.649 4.120 0.073 0.000 0.299 489 V C -0.420 175.686 176.094 0.019 0.000 1.035 489 V CA -0.606 61.711 62.300 0.028 0.000 0.889 489 V CB 1.531 33.367 31.823 0.022 0.000 0.988 489 V HN 0.908 nan 8.190 nan 0.000 0.440 490 E N 2.393 122.606 120.200 0.022 0.000 2.349 490 E HA 0.604 4.998 4.350 0.073 0.000 0.290 490 E C -0.538 176.066 176.600 0.007 0.000 0.901 490 E CA -0.094 56.313 56.400 0.012 0.000 0.800 490 E CB 1.815 31.522 29.700 0.012 0.000 1.303 490 E HN 1.014 nan 8.360 nan 0.000 0.397 491 G N 2.694 111.494 108.800 -0.000 0.000 2.320 491 G HA2 0.095 4.099 3.960 0.073 0.000 0.297 491 G HA3 0.095 4.099 3.960 0.073 0.000 0.297 491 G C -1.433 173.460 174.900 -0.011 0.000 1.344 491 G CA -0.961 44.135 45.100 -0.007 0.000 0.851 491 G HN 0.388 nan 8.290 nan 0.000 0.567 492 N N 0.090 118.780 118.700 -0.016 0.000 2.463 492 N HA 0.334 5.118 4.740 0.073 0.000 0.270 492 N C -0.123 175.374 175.510 -0.022 0.000 1.205 492 N CA -0.238 52.802 53.050 -0.018 0.000 0.974 492 N CB 0.908 39.384 38.487 -0.019 0.000 1.197 492 N HN 0.452 nan 8.380 nan 0.000 0.504 493 K N 1.007 121.394 120.400 -0.023 0.000 2.294 493 K HA 0.180 4.544 4.320 0.073 0.000 0.288 493 K C -0.416 176.163 176.600 -0.035 0.000 1.072 493 K CA -0.167 56.103 56.287 -0.028 0.000 0.960 493 K CB -0.164 32.321 32.500 -0.025 0.000 1.043 493 K HN 0.342 nan 8.250 nan 0.000 0.455 494 V N 0.183 120.072 119.914 -0.043 0.000 2.962 494 V HA 0.490 4.654 4.120 0.073 0.000 0.313 494 V C -0.429 175.625 176.094 -0.068 0.000 1.099 494 V CA -1.349 60.921 62.300 -0.051 0.000 0.971 494 V CB 2.046 33.840 31.823 -0.049 0.000 1.028 494 V HN 0.582 nan 8.190 nan 0.000 0.430 495 R N 2.300 122.755 120.500 -0.075 0.000 2.522 495 R HA 0.573 4.956 4.340 0.073 0.000 0.290 495 R C -0.459 175.788 176.300 -0.089 0.000 1.216 495 R CA -0.106 55.935 56.100 -0.099 0.000 1.250 495 R CB 0.669 30.897 30.300 -0.120 0.000 1.143 495 R HN 0.930 nan 8.270 nan 0.000 0.553 496 E N 1.843 121.987 120.200 -0.093 0.000 2.343 496 E HA 0.246 4.640 4.350 0.073 0.000 0.278 496 E C -1.250 175.277 176.600 -0.122 0.000 0.910 496 E CA -1.052 55.295 56.400 -0.089 0.000 0.757 496 E CB 1.740 31.397 29.700 -0.072 0.000 1.218 496 E HN 0.106 nan 8.360 nan 0.000 0.435 497 R N 1.487 121.919 120.500 -0.112 0.000 2.390 497 R HA 0.225 4.609 4.340 0.073 0.000 0.291 497 R C -0.576 175.608 176.300 -0.193 0.000 1.070 497 R CA 0.102 56.100 56.100 -0.171 0.000 1.014 497 R CB 1.191 31.448 30.300 -0.073 0.000 1.007 497 R HN 0.362 nan 8.270 nan 0.000 0.466 498 S N 4.884 120.358 115.700 -0.376 0.000 2.549 498 S HA 0.152 4.666 4.470 0.073 0.000 0.283 498 S C -1.554 173.017 174.600 -0.048 0.000 1.320 498 S CA -1.337 56.726 58.200 -0.228 0.000 1.058 498 S CB 0.716 63.711 63.200 -0.341 0.000 0.882 498 S HN 0.532 nan 8.310 nan 0.000 0.498 499 P HA -0.103 nan 4.420 nan 0.000 0.218 499 P C 1.619 178.971 177.300 0.087 0.000 1.149 499 P CA 1.183 64.307 63.100 0.039 0.000 0.817 499 P CB -0.192 31.520 31.700 0.020 0.000 0.785 500 S N -1.602 114.186 115.700 0.146 0.000 2.440 500 S HA -0.159 4.355 4.470 0.073 0.000 0.238 500 S C 1.551 176.315 174.600 0.274 0.000 1.010 500 S CA 1.047 59.368 58.200 0.203 0.000 0.972 500 S CB -1.482 61.873 63.200 0.258 0.000 0.774 500 S HN -0.041 nan 8.310 nan 0.000 0.501 501 F N 2.154 122.100 119.950 -0.008 0.000 2.789 501 F HA 0.381 4.951 4.527 0.073 0.000 0.300 501 F C 2.053 177.799 175.800 -0.091 0.000 1.132 501 F CA -0.671 57.321 58.000 -0.014 0.000 1.404 501 F CB -0.761 38.259 39.000 0.033 0.000 1.114 501 F HN 0.350 nan 8.300 nan 0.000 0.584 502 G N 0.679 109.495 108.800 0.025 0.000 3.392 502 G HA2 0.054 4.058 3.960 0.073 0.000 0.247 502 G HA3 0.054 4.058 3.960 0.073 0.000 0.247 502 G C 0.024 174.531 174.900 -0.656 0.000 1.161 502 G CA 0.158 45.096 45.100 -0.269 0.000 1.739 502 G HN 0.072 nan 8.290 nan 0.000 0.619 503 E N 0.046 119.784 120.200 -0.770 0.000 2.263 503 E HA 0.329 4.723 4.350 0.073 0.000 0.268 503 E C -0.899 175.285 176.600 -0.693 0.000 0.884 503 E CA -0.770 55.247 56.400 -0.639 0.000 0.766 503 E CB 1.521 31.085 29.700 -0.227 0.000 1.196 503 E HN 0.209 nan 8.360 nan 0.000 0.416 504 Y N 2.558 122.654 120.300 -0.340 0.000 2.471 504 Y HA 0.199 4.793 4.550 0.073 0.000 0.249 504 Y C 0.646 176.278 175.900 -0.446 0.000 1.116 504 Y CA -0.128 57.681 58.100 -0.486 0.000 1.240 504 Y CB 0.427 38.428 38.460 -0.765 0.000 1.251 504 Y HN 0.422 nan 8.280 nan 0.000 0.527 505 Y N -1.357 119.032 120.300 0.149 0.000 2.444 505 Y HA 0.123 4.717 4.550 0.073 0.000 0.252 505 Y C 2.317 178.274 175.900 0.096 0.000 1.091 505 Y CA 0.107 58.283 58.100 0.128 0.000 1.276 505 Y CB -0.199 38.343 38.460 0.135 0.000 1.170 505 Y HN 0.060 nan 8.280 nan 0.000 0.517 506 S N -1.040 114.786 115.700 0.211 0.000 2.406 506 S HA -0.160 4.354 4.470 0.073 0.000 0.228 506 S C 1.404 176.066 174.600 0.104 0.000 1.020 506 S CA 1.360 59.661 58.200 0.169 0.000 0.965 506 S CB -0.491 62.813 63.200 0.173 0.000 0.798 506 S HN 0.417 nan 8.310 nan 0.000 0.488 507 H N 2.907 121.890 119.070 -0.146 0.000 2.363 507 H HA 0.178 4.778 4.556 0.073 0.000 0.301 507 H C -0.740 174.343 175.328 -0.408 0.000 1.074 507 H CA 1.392 57.197 56.048 -0.406 0.000 1.354 507 H CB -1.567 27.767 29.762 -0.714 0.000 1.397 507 H HN 0.389 nan 8.280 nan 0.000 0.516 508 P HA -0.163 nan 4.420 nan 0.000 0.216 508 P C 1.427 178.896 177.300 0.283 0.000 1.150 508 P CA 1.630 64.849 63.100 0.197 0.000 0.837 508 P CB 0.108 31.968 31.700 0.267 0.000 0.786 509 R N -0.415 120.203 120.500 0.196 0.000 2.073 509 R HA -0.081 4.303 4.340 0.073 0.000 0.229 509 R C 2.182 178.599 176.300 0.195 0.000 1.120 509 R CA 0.905 57.127 56.100 0.203 0.000 0.967 509 R CB -0.991 29.393 30.300 0.140 0.000 0.862 509 R HN 0.058 nan 8.270 nan 0.000 0.436 510 L N 0.444 121.729 121.223 0.102 0.000 2.046 510 L HA -0.113 4.271 4.340 0.073 0.000 0.208 510 L C 1.966 178.897 176.870 0.102 0.000 1.077 510 L CA 1.707 56.575 54.840 0.048 0.000 0.747 510 L CB -0.652 41.361 42.059 -0.077 0.000 0.896 510 L HN 0.232 nan 8.230 nan 0.000 0.432 511 F N -0.722 119.257 119.950 0.049 0.000 2.075 511 F HA -0.282 4.290 4.527 0.073 0.000 0.297 511 F C 2.347 178.155 175.800 0.014 0.000 1.113 511 F CA 2.203 60.223 58.000 0.033 0.000 1.218 511 F CB -0.691 38.379 39.000 0.116 0.000 0.984 511 F HN 0.362 nan 8.300 nan 0.000 0.472 512 W N 1.445 122.720 121.300 -0.042 0.000 2.321 512 W HA -0.266 4.438 4.660 0.073 0.000 0.306 512 W C 1.691 178.086 176.519 -0.206 0.000 1.217 512 W CA 1.947 59.212 57.345 -0.133 0.000 1.257 512 W CB -0.671 28.803 29.460 0.023 0.000 1.145 512 W HN 0.122 nan 8.180 nan 0.000 0.509 513 L N 0.910 122.076 121.223 -0.094 0.000 2.395 513 L HA -0.117 4.267 4.340 0.073 0.000 0.218 513 L C 2.349 179.047 176.870 -0.286 0.000 1.130 513 L CA 0.918 55.639 54.840 -0.199 0.000 0.826 513 L CB -0.657 41.394 42.059 -0.013 0.000 0.941 513 L HN -0.172 nan 8.230 nan 0.000 0.451 514 S N -1.326 114.183 115.700 -0.317 0.000 2.527 514 S HA 0.036 4.550 4.470 0.073 0.000 0.222 514 S C 0.754 175.080 174.600 -0.457 0.000 0.985 514 S CA 0.186 58.194 58.200 -0.321 0.000 0.921 514 S CB -0.020 63.020 63.200 -0.266 0.000 0.772 514 S HN 0.311 nan 8.310 nan 0.000 0.529 515 Q N 2.306 121.724 119.800 -0.638 0.000 2.299 515 Q HA 0.273 4.657 4.340 0.073 0.000 0.246 515 Q C 0.622 176.234 176.000 -0.646 0.000 0.935 515 Q CA -0.098 55.287 55.803 -0.698 0.000 0.887 515 Q CB 0.369 28.606 28.738 -0.835 0.000 1.223 515 Q HN 0.431 nan 8.270 nan 0.000 0.439 516 T N -1.508 112.631 114.554 -0.692 0.000 2.748 516 T HA 0.122 4.516 4.350 0.073 0.000 0.304 516 T C -1.735 172.518 174.700 -0.744 0.000 1.041 516 T CA -1.228 60.435 62.100 -0.728 0.000 1.033 516 T CB 0.218 68.410 68.868 -1.127 0.000 0.995 516 T HN 0.229 nan 8.240 nan 0.000 0.536 517 P HA -0.035 nan 4.420 nan 0.000 0.215 517 P C 1.500 178.592 177.300 -0.347 0.000 1.157 517 P CA 1.134 64.020 63.100 -0.358 0.000 0.868 517 P CB -0.258 31.348 31.700 -0.157 0.000 0.788 518 F N 0.109 119.855 119.950 -0.340 0.000 2.186 518 F HA -0.006 4.565 4.527 0.073 0.000 0.299 518 F C 1.851 177.273 175.800 -0.630 0.000 1.090 518 F CA 0.990 58.713 58.000 -0.461 0.000 1.307 518 F CB -1.563 37.167 39.000 -0.451 0.000 1.019 518 F HN -0.100 nan 8.300 nan 0.000 0.489 519 E N 0.487 120.081 120.200 -1.010 0.000 2.110 519 E HA -0.217 4.177 4.350 0.073 0.000 0.193 519 E C 2.244 178.622 176.600 -0.370 0.000 0.988 519 E CA 1.477 57.520 56.400 -0.596 0.000 0.804 519 E CB -0.254 29.047 29.700 -0.665 0.000 0.745 519 E HN 0.640 nan 8.360 nan 0.000 0.458 520 Q N 0.174 119.672 119.800 -0.505 0.000 2.084 520 Q HA -0.204 4.180 4.340 0.073 0.000 0.202 520 Q C 2.258 178.241 176.000 -0.028 0.000 0.978 520 Q CA 1.374 56.895 55.803 -0.471 0.000 0.844 520 Q CB -0.146 28.073 28.738 -0.864 0.000 0.898 520 Q HN 0.022 nan 8.270 nan 0.000 0.426 521 R N 0.363 120.836 120.500 -0.046 0.000 2.081 521 R HA -0.161 4.223 4.340 0.073 0.000 0.235 521 R C 1.660 178.113 176.300 0.254 0.000 1.131 521 R CA 1.883 58.050 56.100 0.111 0.000 0.960 521 R CB -0.404 29.938 30.300 0.070 0.000 0.856 521 R HN 0.461 nan 8.270 nan 0.000 0.436 522 H N -0.697 118.463 119.070 0.150 0.000 2.387 522 H HA -0.044 4.556 4.556 0.074 0.000 0.299 522 H C 2.041 177.481 175.328 0.188 0.000 1.090 522 H CA 1.258 57.411 56.048 0.175 0.000 1.332 522 H CB -0.024 29.851 29.762 0.187 0.000 1.386 522 H HN 0.188 nan 8.280 nan 0.000 0.516 523 I N 0.174 120.955 120.570 0.352 0.000 2.179 523 I HA -0.270 3.944 4.170 0.073 0.000 0.242 523 I C 2.322 178.727 176.117 0.480 0.000 1.088 523 I CA 0.857 62.404 61.300 0.412 0.000 1.357 523 I CB -0.174 38.161 38.000 0.559 0.000 1.051 523 I HN 0.076 nan 8.210 nan 0.000 0.409 524 V N 0.894 121.077 119.914 0.448 0.000 2.287 524 V HA -0.336 3.828 4.120 0.073 0.000 0.248 524 V C 2.060 178.327 176.094 0.289 0.000 1.053 524 V CA 2.203 64.716 62.300 0.355 0.000 1.027 524 V CB -0.707 31.283 31.823 0.278 0.000 0.646 524 V HN 0.425 nan 8.190 nan 0.000 0.447 525 D N 0.395 120.946 120.400 0.252 0.000 2.144 525 D HA -0.093 4.591 4.640 0.073 0.000 0.199 525 D C 2.176 178.543 176.300 0.113 0.000 0.984 525 D CA 1.501 55.614 54.000 0.188 0.000 0.834 525 D CB -0.671 40.250 40.800 0.202 0.000 0.955 525 D HN 0.472 nan 8.370 nan 0.000 0.465 526 G N 0.227 109.076 108.800 0.081 0.000 2.459 526 G HA2 -0.275 3.729 3.960 0.073 0.000 0.217 526 G HA3 -0.275 3.729 3.960 0.073 0.000 0.217 526 G C 1.469 176.345 174.900 -0.041 0.000 1.183 526 G CA 0.329 45.383 45.100 -0.078 0.000 0.776 526 G HN 0.160 nan 8.290 nan 0.000 0.552 527 F N 1.855 121.839 119.950 0.055 0.000 2.095 527 F HA -0.116 4.455 4.527 0.074 0.000 0.298 527 F C 3.214 178.926 175.800 -0.147 0.000 1.104 527 F CA 1.699 59.665 58.000 -0.056 0.000 1.232 527 F CB -0.512 38.474 39.000 -0.024 0.000 0.987 527 F HN 0.099 nan 8.300 nan 0.000 0.475 528 S N -0.013 115.774 115.700 0.144 0.000 2.353 528 S HA -0.244 4.270 4.470 0.073 0.000 0.222 528 S C 1.892 176.499 174.600 0.013 0.000 1.035 528 S CA 1.515 59.750 58.200 0.059 0.000 1.025 528 S CB -0.954 62.305 63.200 0.098 0.000 0.902 528 S HN 0.414 nan 8.310 nan 0.000 0.440 529 F N 2.581 122.481 119.950 -0.084 0.000 2.075 529 F HA -0.127 4.444 4.527 0.073 0.000 0.297 529 F C 2.387 178.113 175.800 -0.123 0.000 1.113 529 F CA 1.581 59.520 58.000 -0.102 0.000 1.218 529 F CB -0.298 38.576 39.000 -0.210 0.000 0.984 529 F HN 0.139 nan 8.300 nan 0.000 0.472 530 E N 0.131 120.251 120.200 -0.132 0.000 2.077 530 E HA -0.200 4.194 4.350 0.073 0.000 0.193 530 E C 2.163 178.523 176.600 -0.400 0.000 0.989 530 E CA 1.069 57.344 56.400 -0.208 0.000 0.800 530 E CB -0.417 29.336 29.700 0.088 0.000 0.746 530 E HN 0.337 nan 8.360 nan 0.000 0.452 531 L N 1.076 122.007 121.223 -0.486 0.000 2.201 531 L HA -0.078 4.306 4.340 0.073 0.000 0.212 531 L C 2.286 178.986 176.870 -0.283 0.000 1.105 531 L CA 1.323 55.878 54.840 -0.475 0.000 0.775 531 L CB -0.851 40.959 42.059 -0.415 0.000 0.913 531 L HN -0.041 nan 8.230 nan 0.000 0.440 532 S N -0.575 114.971 115.700 -0.257 0.000 2.419 532 S HA -0.115 4.399 4.470 0.073 0.000 0.233 532 S C 1.616 176.098 174.600 -0.196 0.000 1.016 532 S CA 0.894 58.974 58.200 -0.200 0.000 0.974 532 S CB -0.071 63.008 63.200 -0.201 0.000 0.786 532 S HN 0.354 nan 8.310 nan 0.000 0.492 533 K N 1.224 121.473 120.400 -0.252 0.000 2.444 533 K HA 0.223 4.586 4.320 0.073 0.000 0.193 533 K C -0.049 176.535 176.600 -0.025 0.000 1.024 533 K CA 0.059 56.261 56.287 -0.142 0.000 1.077 533 K CB -0.172 32.224 32.500 -0.173 0.000 0.833 533 K HN 0.197 nan 8.250 nan 0.000 0.517 534 V N 2.225 122.102 119.914 -0.061 0.000 2.427 534 V HA -0.004 4.160 4.120 0.073 0.000 0.268 534 V C 1.752 177.831 176.094 -0.025 0.000 1.046 534 V CA -0.095 62.199 62.300 -0.010 0.000 0.970 534 V CB 1.282 33.066 31.823 -0.064 0.000 1.001 534 V HN -0.108 nan 8.190 nan 0.000 0.476 535 V N 5.334 125.256 119.914 0.013 0.000 2.515 535 V HA -0.082 4.082 4.120 0.073 0.000 0.250 535 V C 1.299 177.378 176.094 -0.025 0.000 1.058 535 V CA 1.424 63.727 62.300 0.005 0.000 1.064 535 V CB -0.536 31.306 31.823 0.031 0.000 0.675 535 V HN 0.761 nan 8.190 nan 0.000 0.461 536 R N 0.737 121.193 120.500 -0.074 0.000 2.205 536 R HA 0.224 4.608 4.340 0.073 0.000 0.342 536 R C -1.760 174.427 176.300 -0.189 0.000 1.058 536 R CA -1.638 54.390 56.100 -0.120 0.000 0.904 536 R CB 0.649 30.811 30.300 -0.231 0.000 1.089 536 R HN 0.226 nan 8.270 nan 0.000 0.471 537 P HA -0.238 nan 4.420 nan 0.000 0.217 537 P C 0.831 178.121 177.300 -0.017 0.000 1.148 537 P CA 1.305 64.387 63.100 -0.030 0.000 0.828 537 P CB -0.045 31.666 31.700 0.019 0.000 0.783 538 Y N -1.209 119.092 120.300 0.001 0.000 2.274 538 Y HA -0.108 4.486 4.550 0.073 0.000 0.290 538 Y C 1.990 177.896 175.900 0.011 0.000 1.145 538 Y CA 0.834 58.936 58.100 0.003 0.000 1.203 538 Y CB -1.760 36.702 38.460 0.004 0.000 0.984 538 Y HN -0.109 nan 8.280 nan 0.000 0.533 539 I N 0.845 121.055 120.570 -0.600 0.000 2.252 539 I HA -0.227 3.987 4.170 0.073 0.000 0.245 539 I C 2.538 178.579 176.117 -0.127 0.000 1.102 539 I CA 1.323 62.411 61.300 -0.353 0.000 1.385 539 I CB -0.386 37.394 38.000 -0.368 0.000 1.064 539 I HN 0.160 nan 8.210 nan 0.000 0.414 540 R N 0.845 121.262 120.500 -0.139 0.000 2.083 540 R HA -0.205 4.179 4.340 0.073 0.000 0.237 540 R C 2.168 178.429 176.300 -0.065 0.000 1.137 540 R CA 1.650 57.681 56.100 -0.116 0.000 0.951 540 R CB -0.476 29.754 30.300 -0.118 0.000 0.851 540 R HN 0.416 nan 8.270 nan 0.000 0.434 541 E N 0.404 120.587 120.200 -0.028 0.000 2.085 541 E HA -0.188 4.206 4.350 0.073 0.000 0.194 541 E C 2.129 178.741 176.600 0.019 0.000 0.994 541 E CA 1.250 57.652 56.400 0.004 0.000 0.801 541 E CB -0.019 29.706 29.700 0.042 0.000 0.743 541 E HN 0.284 nan 8.360 nan 0.000 0.453 542 R N 0.130 120.657 120.500 0.045 0.000 2.115 542 R HA -0.076 4.308 4.340 0.073 0.000 0.230 542 R C 2.347 178.674 176.300 0.045 0.000 1.111 542 R CA 0.885 57.020 56.100 0.059 0.000 0.976 542 R CB -0.154 30.201 30.300 0.092 0.000 0.870 542 R HN 0.070 nan 8.270 nan 0.000 0.445 543 V N 0.316 120.253 119.914 0.037 0.000 2.323 543 V HA -0.180 3.984 4.120 0.073 0.000 0.244 543 V C 2.298 178.378 176.094 -0.022 0.000 1.041 543 V CA 1.378 63.712 62.300 0.056 0.000 1.025 543 V CB -0.216 31.668 31.823 0.101 0.000 0.656 543 V HN 0.097 nan 8.190 nan 0.000 0.451 544 V N 0.597 120.473 119.914 -0.062 0.000 2.332 544 V HA -0.329 3.835 4.120 0.073 0.000 0.248 544 V C 2.341 178.397 176.094 -0.062 0.000 1.055 544 V CA 2.504 64.744 62.300 -0.100 0.000 1.038 544 V CB -0.695 31.074 31.823 -0.091 0.000 0.651 544 V HN 0.665 nan 8.190 nan 0.000 0.450 545 D N -0.584 119.810 120.400 -0.009 0.000 2.104 545 D HA -0.209 4.475 4.640 0.073 0.000 0.194 545 D C 2.268 178.634 176.300 0.110 0.000 0.994 545 D CA 1.353 55.378 54.000 0.042 0.000 0.830 545 D CB -0.069 40.773 40.800 0.069 0.000 0.959 545 D HN 0.388 nan 8.370 nan 0.000 0.452 546 Q N -0.274 119.568 119.800 0.069 0.000 2.170 546 Q HA -0.089 4.295 4.340 0.073 0.000 0.203 546 Q C 2.586 178.610 176.000 0.040 0.000 0.976 546 Q CA 0.583 56.433 55.803 0.079 0.000 0.858 546 Q CB -0.204 28.608 28.738 0.124 0.000 0.907 546 Q HN 0.461 nan 8.270 nan 0.000 0.433 547 L N 0.180 121.365 121.223 -0.063 0.000 2.083 547 L HA -0.127 4.257 4.340 0.073 0.000 0.209 547 L C 2.401 179.160 176.870 -0.185 0.000 1.083 547 L CA 0.945 55.672 54.840 -0.189 0.000 0.752 547 L CB -0.657 41.186 42.059 -0.359 0.000 0.899 547 L HN 0.112 nan 8.230 nan 0.000 0.433 548 A N -0.703 122.031 122.820 -0.143 0.000 2.070 548 A HA -0.212 4.152 4.320 0.073 0.000 0.220 548 A C 1.672 179.083 177.584 -0.288 0.000 1.159 548 A CA 1.358 53.275 52.037 -0.200 0.000 0.656 548 A CB -0.738 18.152 19.000 -0.183 0.000 0.800 548 A HN 0.469 nan 8.150 nan 0.000 0.453 549 H N -1.429 117.427 119.070 -0.358 0.000 2.539 549 H HA 0.323 4.923 4.556 0.073 0.000 0.267 549 H C 1.450 176.506 175.328 -0.453 0.000 0.982 549 H CA 0.657 56.362 56.048 -0.572 0.000 1.146 549 H CB 0.088 29.079 29.762 -1.284 0.000 1.382 549 H HN 0.502 nan 8.280 nan 0.000 0.577 550 I N -1.265 119.211 120.570 -0.157 0.000 3.136 550 I HA 0.111 4.325 4.170 0.073 0.000 0.262 550 I C -0.203 175.842 176.117 -0.120 0.000 1.132 550 I CA 0.330 61.601 61.300 -0.047 0.000 1.450 550 I CB 0.794 38.792 38.000 -0.003 0.000 1.315 550 I HN 0.075 nan 8.210 nan 0.000 0.460 551 D N -0.259 119.996 120.400 -0.242 0.000 2.871 551 D HA 0.147 4.831 4.640 0.073 0.000 0.209 551 D C 0.213 176.340 176.300 -0.288 0.000 1.292 551 D CA -0.369 53.466 54.000 -0.276 0.000 0.869 551 D CB 1.489 41.984 40.800 -0.509 0.000 1.663 551 D HN -0.086 nan 8.370 nan 0.000 0.557 552 L N 3.065 124.178 121.223 -0.183 0.000 2.141 552 L HA -0.048 4.336 4.340 0.073 0.000 0.209 552 L C 1.268 178.054 176.870 -0.139 0.000 1.094 552 L CA 1.937 56.684 54.840 -0.155 0.000 0.763 552 L CB -0.731 41.264 42.059 -0.106 0.000 0.908 552 L HN 0.598 nan 8.230 nan 0.000 0.437 553 T N 0.784 115.277 114.554 -0.102 0.000 2.746 553 T HA -0.197 4.197 4.350 0.073 0.000 0.267 553 T C 1.848 176.480 174.700 -0.114 0.000 1.039 553 T CA 1.541 63.621 62.100 -0.032 0.000 1.142 553 T CB -0.327 68.607 68.868 0.110 0.000 0.866 553 T HN 0.292 nan 8.240 nan 0.000 0.444 554 L N 1.703 122.696 121.223 -0.383 0.000 2.017 554 L HA 0.092 4.476 4.340 0.073 0.000 0.208 554 L C 2.594 179.237 176.870 -0.378 0.000 1.073 554 L CA 2.013 56.483 54.840 -0.617 0.000 0.745 554 L CB -1.136 40.113 42.059 -1.350 0.000 0.894 554 L HN 0.209 nan 8.230 nan 0.000 0.432 555 A N -1.158 121.458 122.820 -0.339 0.000 1.933 555 A HA -0.222 4.142 4.320 0.073 0.000 0.218 555 A C 2.208 179.694 177.584 -0.163 0.000 1.175 555 A CA 1.745 53.631 52.037 -0.252 0.000 0.628 555 A CB -0.557 18.310 19.000 -0.222 0.000 0.814 555 A HN 0.691 nan 8.150 nan 0.000 0.444 556 Q N -0.824 118.900 119.800 -0.127 0.000 2.079 556 Q HA -0.069 4.315 4.340 0.073 0.000 0.200 556 Q C 2.459 178.430 176.000 -0.047 0.000 0.974 556 Q CA 1.239 56.998 55.803 -0.074 0.000 0.840 556 Q CB -0.327 28.380 28.738 -0.052 0.000 0.898 556 Q HN 0.680 nan 8.270 nan 0.000 0.430 557 A N 0.370 123.168 122.820 -0.036 0.000 1.898 557 A HA -0.116 4.248 4.320 0.073 0.000 0.216 557 A C 2.313 179.898 177.584 0.002 0.000 1.181 557 A CA 1.189 53.232 52.037 0.010 0.000 0.620 557 A CB -0.561 18.475 19.000 0.061 0.000 0.819 557 A HN 0.191 nan 8.150 nan 0.000 0.442 558 V N -0.121 119.769 119.914 -0.041 0.000 2.307 558 V HA -0.214 3.950 4.120 0.073 0.000 0.245 558 V C 3.074 179.140 176.094 -0.048 0.000 1.045 558 V CA 1.819 64.094 62.300 -0.041 0.000 1.024 558 V CB -1.328 30.420 31.823 -0.125 0.000 0.651 558 V HN 0.601 nan 8.190 nan 0.000 0.449 559 A N 0.099 122.878 122.820 -0.069 0.000 1.917 559 A HA -0.343 4.021 4.320 0.073 0.000 0.219 559 A C 2.325 179.891 177.584 -0.029 0.000 1.182 559 A CA 2.572 54.577 52.037 -0.055 0.000 0.633 559 A CB -0.581 18.383 19.000 -0.060 0.000 0.819 559 A HN 0.563 nan 8.150 nan 0.000 0.448 560 K N -0.605 119.784 120.400 -0.018 0.000 2.097 560 K HA -0.158 4.206 4.320 0.073 0.000 0.206 560 K C 1.489 178.094 176.600 0.009 0.000 1.049 560 K CA 1.512 57.798 56.287 -0.001 0.000 0.933 560 K CB -0.167 32.338 32.500 0.008 0.000 0.717 560 K HN 0.421 nan 8.250 nan 0.000 0.442 561 N N 0.573 119.282 118.700 0.014 0.000 2.396 561 N HA -0.074 4.710 4.740 0.073 0.000 0.180 561 N C 1.114 176.629 175.510 0.009 0.000 1.028 561 N CA 0.826 53.891 53.050 0.026 0.000 0.893 561 N CB 0.130 38.645 38.487 0.046 0.000 0.967 561 N HN 0.260 nan 8.380 nan 0.000 0.440 562 L N -0.716 120.500 121.223 -0.011 0.000 2.628 562 L HA 0.254 4.638 4.340 0.073 0.000 0.229 562 L C 0.898 177.757 176.870 -0.017 0.000 1.137 562 L CA -0.119 54.706 54.840 -0.024 0.000 0.909 562 L CB -0.133 41.897 42.059 -0.048 0.000 1.137 562 L HN 0.070 nan 8.230 nan 0.000 0.470 563 G N 1.573 110.368 108.800 -0.008 0.000 2.249 563 G HA2 -0.294 3.710 3.960 0.073 0.000 0.273 563 G HA3 -0.294 3.710 3.960 0.073 0.000 0.273 563 G C 0.023 174.917 174.900 -0.010 0.000 1.036 563 G CA 0.204 45.301 45.100 -0.005 0.000 0.824 563 G HN 0.340 nan 8.290 nan 0.000 0.504 564 I N -0.316 120.244 120.570 -0.017 0.000 2.460 564 I HA 0.450 4.664 4.170 0.073 0.000 0.298 564 I C 0.272 176.376 176.117 -0.021 0.000 0.989 564 I CA -0.725 60.564 61.300 -0.019 0.000 1.173 564 I CB 1.718 39.701 38.000 -0.028 0.000 1.338 564 I HN 0.072 nan 8.210 nan 0.000 0.456 565 E N 5.686 125.876 120.200 -0.018 0.000 2.158 565 E HA 0.452 4.846 4.350 0.073 0.000 0.271 565 E C -1.069 175.516 176.600 -0.025 0.000 0.911 565 E CA -0.687 55.701 56.400 -0.020 0.000 0.767 565 E CB 1.847 31.539 29.700 -0.014 0.000 1.120 565 E HN 0.396 nan 8.360 nan 0.000 0.405 566 L N 2.549 123.752 121.223 -0.034 0.000 2.461 566 L HA 0.151 4.535 4.340 0.073 0.000 0.272 566 L C 1.108 177.957 176.870 -0.034 0.000 1.197 566 L CA -0.224 54.591 54.840 -0.041 0.000 0.836 566 L CB 0.118 42.143 42.059 -0.056 0.000 1.105 566 L HN 0.622 nan 8.230 nan 0.000 0.477 567 T N -2.498 112.035 114.554 -0.034 0.000 2.849 567 T HA 0.096 4.490 4.350 0.073 0.000 0.284 567 T C 0.628 175.305 174.700 -0.038 0.000 1.004 567 T CA -0.612 61.470 62.100 -0.030 0.000 1.021 567 T CB 1.227 70.080 68.868 -0.025 0.000 1.013 567 T HN 0.574 nan 8.240 nan 0.000 0.527 568 D N 0.310 120.691 120.400 -0.032 0.000 2.117 568 D HA -0.068 4.616 4.640 0.073 0.000 0.197 568 D C 1.621 177.894 176.300 -0.043 0.000 0.987 568 D CA 1.249 55.229 54.000 -0.034 0.000 0.829 568 D CB -0.099 40.686 40.800 -0.025 0.000 0.961 568 D HN 0.605 nan 8.370 nan 0.000 0.460 569 D N 0.140 120.516 120.400 -0.041 0.000 2.104 569 D HA -0.160 4.524 4.640 0.073 0.000 0.194 569 D C 2.059 178.310 176.300 -0.081 0.000 0.994 569 D CA 0.906 54.876 54.000 -0.050 0.000 0.830 569 D CB -0.269 40.510 40.800 -0.035 0.000 0.959 569 D HN 0.347 nan 8.370 nan 0.000 0.452 570 Q N -0.475 119.276 119.800 -0.081 0.000 2.084 570 Q HA -0.114 4.269 4.340 0.073 0.000 0.202 570 Q C 2.030 177.952 176.000 -0.130 0.000 0.978 570 Q CA 0.551 56.283 55.803 -0.119 0.000 0.844 570 Q CB -0.037 28.647 28.738 -0.090 0.000 0.898 570 Q HN 0.181 nan 8.270 nan 0.000 0.426 571 L N 0.818 121.985 121.223 -0.093 0.000 2.191 571 L HA -0.162 4.222 4.340 0.073 0.000 0.212 571 L C 0.945 177.763 176.870 -0.088 0.000 1.103 571 L CA 1.719 56.508 54.840 -0.084 0.000 0.769 571 L CB -0.550 41.474 42.059 -0.059 0.000 0.908 571 L HN 0.252 nan 8.230 nan 0.000 0.438 572 N N -1.391 117.256 118.700 -0.089 0.000 2.230 572 N HA 0.169 4.953 4.740 0.073 0.000 0.202 572 N C 0.199 175.645 175.510 -0.107 0.000 1.119 572 N CA -0.249 52.752 53.050 -0.081 0.000 0.851 572 N CB 0.469 38.921 38.487 -0.058 0.000 0.990 572 N HN 0.202 nan 8.380 nan 0.000 0.497 573 I N 1.910 122.381 120.570 -0.166 0.000 2.683 573 I HA -0.078 4.136 4.170 0.073 0.000 0.286 573 I C 0.453 176.474 176.117 -0.160 0.000 1.175 573 I CA 0.328 61.494 61.300 -0.224 0.000 1.429 573 I CB 0.384 38.115 38.000 -0.450 0.000 1.371 573 I HN 0.086 nan 8.210 nan 0.000 0.569 574 T N 7.651 122.139 114.554 -0.109 0.000 2.870 574 T HA 0.184 4.578 4.350 0.073 0.000 0.300 574 T C -2.104 172.557 174.700 -0.066 0.000 0.989 574 T CA -1.022 61.039 62.100 -0.064 0.000 1.139 574 T CB 0.127 68.980 68.868 -0.025 0.000 0.920 574 T HN 0.368 nan 8.240 nan 0.000 0.537 575 P HA 0.224 nan 4.420 nan 0.000 0.269 575 P C -2.315 174.997 177.300 0.020 0.000 1.209 575 P CA -1.426 61.658 63.100 -0.028 0.000 0.776 575 P CB -0.512 31.179 31.700 -0.014 0.000 0.876 576 P HA 0.178 nan 4.420 nan 0.000 0.270 576 P C -2.415 174.937 177.300 0.087 0.000 1.223 576 P CA -1.179 61.988 63.100 0.111 0.000 0.785 576 P CB -1.010 30.804 31.700 0.190 0.000 0.923 577 P HA 0.061 nan 4.420 nan 0.000 0.270 577 P C -0.255 177.092 177.300 0.079 0.000 1.223 577 P CA 0.094 63.240 63.100 0.076 0.000 0.785 577 P CB 0.116 31.864 31.700 0.079 0.000 0.923 578 D N -0.108 120.331 120.400 0.065 0.000 2.372 578 D HA 0.094 4.778 4.640 0.073 0.000 0.243 578 D C -0.475 175.869 176.300 0.074 0.000 1.297 578 D CA -0.301 53.733 54.000 0.058 0.000 0.958 578 D CB -0.123 40.705 40.800 0.046 0.000 1.114 578 D HN 0.012 nan 8.370 nan 0.000 0.496 579 V N 1.242 121.192 119.914 0.060 0.000 2.294 579 V HA 0.196 4.360 4.120 0.073 0.000 0.272 579 V C -0.210 175.977 176.094 0.155 0.000 1.027 579 V CA -0.816 61.549 62.300 0.108 0.000 0.823 579 V CB -0.696 31.111 31.823 -0.028 0.000 1.030 579 V HN 0.706 nan 8.190 nan 0.000 0.457 580 N N 4.084 122.887 118.700 0.172 0.000 2.740 580 N HA -0.213 4.571 4.740 0.073 0.000 0.248 580 N C 1.181 176.745 175.510 0.089 0.000 1.062 580 N CA 1.186 54.316 53.050 0.134 0.000 0.704 580 N CB -0.973 37.626 38.487 0.185 0.000 0.968 580 N HN 1.291 nan 8.380 nan 0.000 0.547 581 G N -2.054 106.788 108.800 0.070 0.000 2.179 581 G HA2 -0.335 3.669 3.960 0.073 0.000 0.260 581 G HA3 -0.335 3.669 3.960 0.073 0.000 0.260 581 G C 0.116 175.043 174.900 0.046 0.000 0.977 581 G CA 0.440 45.571 45.100 0.050 0.000 0.641 581 G HN 0.410 nan 8.290 nan 0.000 0.533 582 L N -0.199 121.055 121.223 0.052 0.000 2.349 582 L HA 0.512 4.896 4.340 0.073 0.000 0.275 582 L C 1.276 178.160 176.870 0.024 0.000 1.115 582 L CA -0.192 54.669 54.840 0.036 0.000 0.820 582 L CB 1.340 43.421 42.059 0.038 0.000 1.135 582 L HN 0.060 nan 8.230 nan 0.000 0.445 583 K N 2.643 123.052 120.400 0.016 0.000 2.438 583 K HA 0.187 4.551 4.320 0.073 0.000 0.205 583 K C -0.721 175.876 176.600 -0.005 0.000 1.033 583 K CA -0.121 56.174 56.287 0.013 0.000 1.089 583 K CB 0.589 33.098 32.500 0.015 0.000 0.857 583 K HN 0.543 nan 8.250 nan 0.000 0.522 584 K N -0.266 120.127 120.400 -0.011 0.000 2.703 584 K HA 0.206 4.570 4.320 0.073 0.000 0.285 584 K C -2.319 174.269 176.600 -0.019 0.000 1.014 584 K CA -0.900 55.366 56.287 -0.035 0.000 0.858 584 K CB 1.465 33.929 32.500 -0.060 0.000 1.467 584 K HN -0.189 nan 8.250 nan 0.000 0.383 585 D N 2.479 122.863 120.400 -0.027 0.000 2.470 585 D HA 0.287 4.971 4.640 0.073 0.000 0.233 585 D C -2.179 174.113 176.300 -0.012 0.000 1.372 585 D CA -1.905 52.099 54.000 0.006 0.000 0.994 585 D CB 2.182 43.008 40.800 0.044 0.000 1.377 585 D HN 0.281 nan 8.370 nan 0.000 0.586 586 P HA -0.104 nan 4.420 nan 0.000 0.221 586 P C 1.258 178.560 177.300 0.004 0.000 1.145 586 P CA 0.839 63.920 63.100 -0.032 0.000 0.795 586 P CB 0.146 31.835 31.700 -0.017 0.000 0.775 587 S N -1.049 114.686 115.700 0.059 0.000 2.507 587 S HA -0.046 4.468 4.470 0.073 0.000 0.235 587 S C 1.702 176.400 174.600 0.163 0.000 0.988 587 S CA 0.716 58.989 58.200 0.120 0.000 0.944 587 S CB -1.398 61.901 63.200 0.164 0.000 0.762 587 S HN 0.144 nan 8.310 nan 0.000 0.526 588 L N 1.220 122.507 121.223 0.107 0.000 2.418 588 L HA 0.195 4.579 4.340 0.073 0.000 0.218 588 L C 1.542 178.335 176.870 -0.129 0.000 1.125 588 L CA 0.169 55.075 54.840 0.110 0.000 0.835 588 L CB -0.335 41.790 42.059 0.109 0.000 0.953 588 L HN 0.331 nan 8.230 nan 0.000 0.454 589 S N -0.420 115.173 115.700 -0.179 0.000 2.610 589 S HA 0.279 4.793 4.470 0.073 0.000 0.273 589 S C 1.044 175.525 174.600 -0.198 0.000 1.274 589 S CA -0.602 57.430 58.200 -0.281 0.000 1.023 589 S CB 1.384 64.416 63.200 -0.280 0.000 0.962 589 S HN 0.160 nan 8.310 nan 0.000 0.523 590 L N 2.668 123.695 121.223 -0.326 0.000 2.131 590 L HA 0.057 4.441 4.340 0.073 0.000 0.206 590 L C 0.911 177.535 176.870 -0.410 0.000 1.087 590 L CA 1.020 55.584 54.840 -0.459 0.000 0.767 590 L CB -0.243 41.259 42.059 -0.928 0.000 0.917 590 L HN 0.768 nan 8.230 nan 0.000 0.441 591 Y N -2.135 118.167 120.300 0.003 0.000 2.453 591 Y HA 0.334 4.928 4.550 0.073 0.000 0.247 591 Y C 2.157 178.075 175.900 0.029 0.000 1.124 591 Y CA -0.188 57.961 58.100 0.081 0.000 1.243 591 Y CB -0.562 37.994 38.460 0.160 0.000 1.213 591 Y HN -0.029 nan 8.280 nan 0.000 0.523 592 A N 0.795 123.637 122.820 0.037 0.000 1.917 592 A HA -0.127 4.237 4.320 0.073 0.000 0.219 592 A C 1.014 178.631 177.584 0.055 0.000 1.182 592 A CA 1.335 53.368 52.037 -0.007 0.000 0.633 592 A CB -0.860 18.084 19.000 -0.092 0.000 0.819 592 A HN 0.327 nan 8.150 nan 0.000 0.448 593 I N 1.118 121.730 120.570 0.070 0.000 2.412 593 I HA 0.226 4.440 4.170 0.073 0.000 0.279 593 I C -2.538 173.655 176.117 0.127 0.000 1.063 593 I CA -2.149 59.202 61.300 0.085 0.000 1.193 593 I CB 1.305 39.345 38.000 0.066 0.000 1.370 593 I HN -0.003 nan 8.210 nan 0.000 0.479 594 P HA -0.015 nan 4.420 nan 0.000 0.260 594 P C -0.448 176.943 177.300 0.151 0.000 1.172 594 P CA 0.267 63.486 63.100 0.198 0.000 0.760 594 P CB 0.346 32.160 31.700 0.190 0.000 0.773 595 D N 1.297 121.796 120.400 0.165 0.000 2.837 595 D HA 0.160 4.844 4.640 0.073 0.000 0.340 595 D C 0.353 176.720 176.300 0.111 0.000 1.451 595 D CA -0.567 53.505 54.000 0.120 0.000 0.798 595 D CB -0.359 40.505 40.800 0.107 0.000 1.169 595 D HN 0.276 nan 8.370 nan 0.000 0.449 596 G N 0.407 109.281 108.800 0.124 0.000 2.358 596 G HA2 0.359 4.363 3.960 0.073 0.000 0.273 596 G HA3 0.359 4.363 3.960 0.073 0.000 0.273 596 G C -0.609 174.329 174.900 0.063 0.000 1.215 596 G CA -0.331 44.830 45.100 0.102 0.000 0.910 596 G HN 0.196 nan 8.290 nan 0.000 0.467 597 D N 1.470 121.896 120.400 0.043 0.000 2.217 597 D HA 0.228 4.912 4.640 0.073 0.000 0.243 597 D C 1.179 177.485 176.300 0.011 0.000 1.054 597 D CA -0.722 53.290 54.000 0.020 0.000 0.838 597 D CB 2.040 42.846 40.800 0.009 0.000 1.162 597 D HN 0.264 nan 8.370 nan 0.000 0.472 598 V N 1.483 121.395 119.914 -0.003 0.000 3.471 598 V HA 0.234 4.398 4.120 0.073 0.000 0.258 598 V C 1.042 177.104 176.094 -0.053 0.000 1.192 598 V CA -0.001 62.289 62.300 -0.016 0.000 1.116 598 V CB -0.879 30.933 31.823 -0.019 0.000 0.792 598 V HN 0.467 nan 8.190 nan 0.000 0.459 599 K N 1.429 121.793 120.400 -0.060 0.000 2.472 599 K HA 0.375 4.739 4.320 0.073 0.000 0.280 599 K C 1.233 177.769 176.600 -0.107 0.000 1.028 599 K CA 1.208 57.434 56.287 -0.101 0.000 1.045 599 K CB 0.056 32.510 32.500 -0.076 0.000 0.902 599 K HN 0.733 nan 8.250 nan 0.000 0.478 600 G N 3.278 111.959 108.800 -0.198 0.000 2.213 600 G HA2 -0.209 3.795 3.960 0.073 0.000 0.236 600 G HA3 -0.209 3.795 3.960 0.073 0.000 0.236 600 G C 0.034 174.912 174.900 -0.037 0.000 0.991 600 G CA -0.279 44.768 45.100 -0.088 0.000 0.629 600 G HN 0.567 nan 8.290 nan 0.000 0.517 601 R N -0.029 120.430 120.500 -0.068 0.000 2.649 601 R HA 0.638 5.021 4.340 0.073 0.000 0.270 601 R C 0.179 176.488 176.300 0.015 0.000 1.105 601 R CA -0.053 56.053 56.100 0.009 0.000 1.193 601 R CB 0.803 31.112 30.300 0.016 0.000 1.120 601 R HN 0.336 nan 8.270 nan 0.000 0.561 602 V N 0.618 120.580 119.914 0.080 0.000 2.735 602 V HA 0.421 4.584 4.120 0.073 0.000 0.310 602 V C -0.255 175.893 176.094 0.089 0.000 1.061 602 V CA -0.933 61.435 62.300 0.112 0.000 0.913 602 V CB 2.328 34.248 31.823 0.161 0.000 1.005 602 V HN 0.372 nan 8.190 nan 0.000 0.428 603 V N 2.431 122.396 119.914 0.084 0.000 2.495 603 V HA 0.780 4.944 4.120 0.073 0.000 0.298 603 V C 0.367 176.512 176.094 0.086 0.000 1.031 603 V CA -0.612 61.731 62.300 0.072 0.000 0.871 603 V CB 1.829 33.681 31.823 0.048 0.000 0.988 603 V HN 1.060 nan 8.190 nan 0.000 0.432 604 A N 6.164 129.041 122.820 0.094 0.000 2.328 604 A HA 0.792 5.156 4.320 0.073 0.000 0.284 604 A C -0.423 177.167 177.584 0.010 0.000 1.160 604 A CA -0.296 51.784 52.037 0.072 0.000 0.818 604 A CB 0.109 19.182 19.000 0.122 0.000 1.087 604 A HN 0.771 nan 8.150 nan 0.000 0.504 605 I N 3.483 124.056 120.570 0.005 0.000 2.382 605 I HA 0.177 4.391 4.170 0.073 0.000 0.285 605 I C -1.096 175.027 176.117 0.010 0.000 1.007 605 I CA -0.740 60.566 61.300 0.009 0.000 1.142 605 I CB 1.488 39.508 38.000 0.034 0.000 1.289 605 I HN 0.349 nan 8.210 nan 0.000 0.453 606 L N 7.455 128.669 121.223 -0.015 0.000 2.295 606 L HA 0.386 4.770 4.340 0.073 0.000 0.288 606 L C 0.177 177.148 176.870 0.168 0.000 1.079 606 L CA 0.134 55.022 54.840 0.079 0.000 0.830 606 L CB 0.435 42.386 42.059 -0.180 0.000 1.200 606 L HN 0.428 nan 8.230 nan 0.000 0.438 607 L N 3.487 124.864 121.223 0.257 0.000 2.468 607 L HA 0.402 4.786 4.340 0.073 0.000 0.254 607 L C 0.302 177.381 176.870 0.348 0.000 1.171 607 L CA -0.518 54.441 54.840 0.199 0.000 0.809 607 L CB 0.798 42.892 42.059 0.059 0.000 1.155 607 L HN 0.765 nan 8.230 nan 0.000 0.473 608 N N -2.149 116.654 118.700 0.171 0.000 2.761 608 N HA 0.215 4.999 4.740 0.073 0.000 0.283 608 N C -0.341 175.173 175.510 0.005 0.000 1.377 608 N CA -0.701 52.499 53.050 0.249 0.000 0.791 608 N CB 0.557 39.169 38.487 0.209 0.000 1.540 608 N HN 0.516 nan 8.380 nan 0.000 0.539 609 D N -2.098 118.335 120.400 0.055 0.000 2.363 609 D HA -0.039 4.645 4.640 0.073 0.000 0.220 609 D C -0.050 176.213 176.300 -0.061 0.000 0.994 609 D CA 0.802 54.760 54.000 -0.071 0.000 0.890 609 D CB -0.056 40.767 40.800 0.038 0.000 0.906 609 D HN 0.736 nan 8.370 nan 0.000 0.530 610 E N 0.488 120.672 120.200 -0.026 0.000 4.090 610 E HA 0.203 4.597 4.350 0.073 0.000 0.235 610 E C -1.122 175.467 176.600 -0.018 0.000 1.187 610 E CA -0.526 55.859 56.400 -0.025 0.000 1.308 610 E CB 0.217 29.912 29.700 -0.009 0.000 1.222 610 E HN -0.107 nan 8.360 nan 0.000 0.414 611 V N 1.898 121.795 119.914 -0.029 0.000 2.843 611 V HA -0.060 4.104 4.120 0.073 0.000 0.305 611 V C 0.850 176.931 176.094 -0.021 0.000 1.120 611 V CA 0.621 62.911 62.300 -0.018 0.000 1.254 611 V CB 0.324 32.130 31.823 -0.028 0.000 0.901 611 V HN 0.501 nan 8.190 nan 0.000 0.503 612 R N 3.953 124.441 120.500 -0.020 0.000 2.357 612 R HA 0.096 4.480 4.340 0.073 0.000 0.330 612 R C 1.647 177.927 176.300 -0.033 0.000 1.102 612 R CA 0.764 56.847 56.100 -0.029 0.000 0.974 612 R CB 0.174 30.452 30.300 -0.037 0.000 1.002 612 R HN 0.974 nan 8.270 nan 0.000 0.463 613 S N 3.549 119.231 115.700 -0.030 0.000 2.380 613 S HA -0.304 4.209 4.470 0.073 0.000 0.229 613 S C 1.999 176.580 174.600 -0.032 0.000 1.043 613 S CA 1.257 59.440 58.200 -0.029 0.000 1.038 613 S CB -0.429 62.756 63.200 -0.026 0.000 0.872 613 S HN 0.692 nan 8.310 nan 0.000 0.456 614 A N 1.820 124.618 122.820 -0.036 0.000 1.978 614 A HA -0.127 4.237 4.320 0.073 0.000 0.220 614 A C 1.983 179.533 177.584 -0.057 0.000 1.170 614 A CA 1.773 53.785 52.037 -0.041 0.000 0.636 614 A CB -0.823 18.151 19.000 -0.042 0.000 0.810 614 A HN 0.585 nan 8.150 nan 0.000 0.448 615 D N -0.347 120.010 120.400 -0.071 0.000 2.103 615 D HA -0.073 4.611 4.640 0.073 0.000 0.199 615 D C 1.960 178.219 176.300 -0.068 0.000 0.978 615 D CA 0.600 54.536 54.000 -0.106 0.000 0.829 615 D CB -0.349 40.373 40.800 -0.129 0.000 0.981 615 D HN 0.350 nan 8.370 nan 0.000 0.464 616 L N 0.465 121.663 121.223 -0.041 0.000 2.042 616 L HA -0.178 4.205 4.340 0.073 0.000 0.210 616 L C 2.422 179.286 176.870 -0.011 0.000 1.076 616 L CA 0.897 55.727 54.840 -0.018 0.000 0.749 616 L CB -0.219 41.831 42.059 -0.015 0.000 0.893 616 L HN 0.084 nan 8.230 nan 0.000 0.432 617 L N -0.497 120.716 121.223 -0.016 0.000 2.093 617 L HA -0.153 4.231 4.340 0.073 0.000 0.208 617 L C 2.637 179.505 176.870 -0.004 0.000 1.085 617 L CA 1.573 56.408 54.840 -0.009 0.000 0.755 617 L CB -0.350 41.701 42.059 -0.013 0.000 0.904 617 L HN 0.224 nan 8.230 nan 0.000 0.435 618 A N -0.177 122.635 122.820 -0.014 0.000 1.877 618 A HA -0.199 4.165 4.320 0.073 0.000 0.216 618 A C 2.198 179.794 177.584 0.020 0.000 1.186 618 A CA 1.975 54.009 52.037 -0.005 0.000 0.620 618 A CB -0.839 18.143 19.000 -0.030 0.000 0.822 618 A HN 0.445 nan 8.150 nan 0.000 0.443 619 I N -0.158 120.426 120.570 0.022 0.000 2.163 619 I HA -0.290 3.924 4.170 0.073 0.000 0.243 619 I C 2.368 178.513 176.117 0.047 0.000 1.085 619 I CA 1.374 62.710 61.300 0.060 0.000 1.347 619 I CB -0.362 37.675 38.000 0.061 0.000 1.044 619 I HN 0.297 nan 8.210 nan 0.000 0.408 620 L N 0.389 121.631 121.223 0.031 0.000 2.109 620 L HA -0.179 4.205 4.340 0.073 0.000 0.207 620 L C 2.613 179.497 176.870 0.024 0.000 1.086 620 L CA 1.182 56.039 54.840 0.028 0.000 0.760 620 L CB -0.661 41.411 42.059 0.023 0.000 0.910 620 L HN 0.259 nan 8.230 nan 0.000 0.437 621 K N 0.987 121.399 120.400 0.019 0.000 2.026 621 K HA -0.185 4.179 4.320 0.073 0.000 0.208 621 K C 2.185 178.796 176.600 0.018 0.000 1.048 621 K CA 1.488 57.785 56.287 0.016 0.000 0.929 621 K CB -0.105 32.402 32.500 0.012 0.000 0.713 621 K HN 0.214 nan 8.250 nan 0.000 0.439 622 A N 1.543 124.379 122.820 0.026 0.000 1.902 622 A HA -0.112 4.252 4.320 0.073 0.000 0.217 622 A C 2.181 179.774 177.584 0.016 0.000 1.181 622 A CA 1.390 53.443 52.037 0.027 0.000 0.623 622 A CB -0.665 18.363 19.000 0.046 0.000 0.818 622 A HN 0.341 nan 8.150 nan 0.000 0.443 623 L N -0.492 120.742 121.223 0.019 0.000 1.989 623 L HA -0.233 4.151 4.340 0.073 0.000 0.211 623 L C 2.703 179.566 176.870 -0.012 0.000 1.071 623 L CA 2.093 56.935 54.840 0.003 0.000 0.749 623 L CB -0.558 41.510 42.059 0.015 0.000 0.890 623 L HN 0.496 nan 8.230 nan 0.000 0.431 624 K N 0.573 120.976 120.400 0.004 0.000 2.103 624 K HA -0.221 4.143 4.320 0.073 0.000 0.207 624 K C 2.061 178.657 176.600 -0.006 0.000 1.048 624 K CA 1.522 57.812 56.287 0.004 0.000 0.930 624 K CB -0.087 32.423 32.500 0.017 0.000 0.716 624 K HN 0.287 nan 8.250 nan 0.000 0.444 625 A N 1.276 124.094 122.820 -0.003 0.000 2.019 625 A HA -0.111 4.253 4.320 0.073 0.000 0.219 625 A C 1.673 179.248 177.584 -0.015 0.000 1.164 625 A CA 1.326 53.361 52.037 -0.005 0.000 0.644 625 A CB -0.134 18.867 19.000 0.001 0.000 0.805 625 A HN 0.205 nan 8.150 nan 0.000 0.449 626 K N -1.389 118.997 120.400 -0.024 0.000 2.374 626 K HA 0.177 4.541 4.320 0.073 0.000 0.196 626 K C 0.979 177.539 176.600 -0.066 0.000 1.023 626 K CA 0.675 56.940 56.287 -0.037 0.000 1.103 626 K CB 0.048 32.528 32.500 -0.034 0.000 0.848 626 K HN 0.727 nan 8.250 nan 0.000 0.528 627 G N 1.718 110.472 108.800 -0.078 0.000 2.176 627 G HA2 -0.226 3.778 3.960 0.073 0.000 0.252 627 G HA3 -0.226 3.778 3.960 0.073 0.000 0.252 627 G C 0.032 174.756 174.900 -0.293 0.000 1.024 627 G CA 0.170 45.191 45.100 -0.132 0.000 0.755 627 G HN 0.110 nan 8.290 nan 0.000 0.507 628 V N 0.739 120.507 119.914 -0.244 0.000 2.439 628 V HA 0.490 4.654 4.120 0.073 0.000 0.282 628 V C 0.777 176.700 176.094 -0.284 0.000 1.039 628 V CA -0.742 61.388 62.300 -0.285 0.000 0.913 628 V CB 1.111 32.865 31.823 -0.114 0.000 0.983 628 V HN 0.464 nan 8.190 nan 0.000 0.460 629 H N 1.833 120.913 119.070 0.017 0.000 2.508 629 H HA 0.775 5.375 4.556 0.074 0.000 0.358 629 H C 0.201 175.548 175.328 0.030 0.000 1.212 629 H CA 0.002 56.062 56.048 0.021 0.000 1.356 629 H CB 1.280 31.055 29.762 0.022 0.000 1.525 629 H HN 0.842 nan 8.280 nan 0.000 0.578 630 A N 1.006 123.928 122.820 0.169 0.000 2.469 630 A HA 0.609 4.973 4.320 0.073 0.000 0.299 630 A C -1.219 176.420 177.584 0.092 0.000 1.098 630 A CA -1.026 51.074 52.037 0.105 0.000 0.737 630 A CB 1.333 20.378 19.000 0.074 0.000 1.312 630 A HN 0.809 nan 8.150 nan 0.000 0.414 631 K N 1.659 122.106 120.400 0.079 0.000 2.601 631 K HA 0.618 4.982 4.320 0.073 0.000 0.249 631 K C -1.683 174.948 176.600 0.051 0.000 0.966 631 K CA -0.472 55.854 56.287 0.066 0.000 0.827 631 K CB 1.159 33.708 32.500 0.080 0.000 1.178 631 K HN 0.489 nan 8.250 nan 0.000 0.437 632 L N 3.878 125.122 121.223 0.036 0.000 2.313 632 L HA 0.329 4.713 4.340 0.073 0.000 0.282 632 L C -0.616 176.266 176.870 0.020 0.000 1.092 632 L CA -1.018 53.839 54.840 0.027 0.000 0.831 632 L CB 0.197 42.264 42.059 0.013 0.000 1.159 632 L HN 0.459 nan 8.230 nan 0.000 0.442 633 L N 4.270 125.509 121.223 0.027 0.000 2.334 633 L HA 0.583 4.967 4.340 0.073 0.000 0.276 633 L C -0.428 176.380 176.870 -0.103 0.000 1.014 633 L CA -0.275 54.542 54.840 -0.038 0.000 0.815 633 L CB 1.493 43.569 42.059 0.029 0.000 1.268 633 L HN 0.372 nan 8.230 nan 0.000 0.428 634 Y N -0.312 119.615 120.300 -0.622 0.000 2.974 634 Y HA 0.346 4.940 4.550 0.073 0.000 0.310 634 Y C 0.976 176.170 175.900 -1.178 0.000 1.526 634 Y CA -0.504 57.136 58.100 -0.767 0.000 1.087 634 Y CB 1.502 39.792 38.460 -0.283 0.000 1.404 634 Y HN 0.553 nan 8.280 nan 0.000 0.491 635 S N 0.394 115.185 115.700 -1.516 0.000 2.575 635 S HA 0.274 4.788 4.470 0.073 0.000 0.215 635 S C -0.045 174.287 174.600 -0.446 0.000 0.966 635 S CA 0.164 57.848 58.200 -0.861 0.000 0.911 635 S CB -0.176 62.650 63.200 -0.625 0.000 0.780 635 S HN 0.591 nan 8.310 nan 0.000 0.514 636 R N -1.213 119.117 120.500 -0.283 0.000 2.766 636 R HA 0.656 5.040 4.340 0.073 0.000 0.270 636 R C -0.739 175.559 176.300 -0.002 0.000 1.035 636 R CA -1.079 54.974 56.100 -0.078 0.000 0.911 636 R CB 0.430 30.731 30.300 0.002 0.000 1.243 636 R HN -0.101 nan 8.270 nan 0.000 0.460 637 M N 0.018 119.618 119.600 0.000 0.000 2.116 637 M HA 0.543 5.067 4.480 0.073 0.000 0.235 637 M C 1.007 177.322 176.300 0.026 0.000 1.193 637 M CA 0.871 56.175 55.300 0.007 0.000 0.959 637 M CB 0.458 33.056 32.600 -0.003 0.000 1.313 637 M HN 1.037 nan 8.290 nan 0.000 0.530 638 G N 0.644 109.450 108.800 0.010 0.000 2.601 638 G HA2 -0.117 3.887 3.960 0.073 0.000 0.224 638 G HA3 -0.117 3.887 3.960 0.073 0.000 0.224 638 G C -0.797 174.095 174.900 -0.013 0.000 1.171 638 G CA 0.106 45.208 45.100 0.003 0.000 1.009 638 G HN 0.979 nan 8.290 nan 0.000 0.589 639 E N -1.405 118.777 120.200 -0.030 0.000 2.433 639 E HA 0.678 5.072 4.350 0.073 0.000 0.278 639 E C -0.565 175.964 176.600 -0.118 0.000 0.976 639 E CA -0.621 55.741 56.400 -0.063 0.000 0.793 639 E CB 2.337 32.010 29.700 -0.045 0.000 1.311 639 E HN 1.683 nan 8.360 nan 0.000 0.460 640 V N -1.911 117.903 119.914 -0.167 0.000 3.074 640 V HA 0.738 4.902 4.120 0.073 0.000 0.314 640 V C -0.457 175.553 176.094 -0.140 0.000 1.117 640 V CA -0.734 61.432 62.300 -0.224 0.000 1.014 640 V CB 1.710 33.278 31.823 -0.424 0.000 1.057 640 V HN 0.760 nan 8.190 nan 0.000 0.438 641 T N 2.167 116.649 114.554 -0.119 0.000 2.779 641 T HA 0.779 5.173 4.350 0.073 0.000 0.280 641 T C 0.340 174.997 174.700 -0.072 0.000 0.987 641 T CA 0.316 62.369 62.100 -0.077 0.000 0.966 641 T CB 1.388 70.223 68.868 -0.055 0.000 0.933 641 T HN 1.323 nan 8.240 nan 0.000 0.442 642 A N 2.402 125.187 122.820 -0.058 0.000 2.262 642 A HA 0.346 4.710 4.320 0.073 0.000 0.273 642 A C 1.576 179.139 177.584 -0.036 0.000 1.202 642 A CA -0.095 51.914 52.037 -0.047 0.000 0.811 642 A CB -0.020 18.956 19.000 -0.039 0.000 1.159 642 A HN 0.892 nan 8.150 nan 0.000 0.505 643 D N -0.303 120.080 120.400 -0.029 0.000 2.117 643 D HA -0.176 4.508 4.640 0.073 0.000 0.197 643 D C 0.676 176.962 176.300 -0.022 0.000 0.987 643 D CA 1.528 55.514 54.000 -0.024 0.000 0.829 643 D CB -0.620 40.167 40.800 -0.021 0.000 0.961 643 D HN 0.576 nan 8.370 nan 0.000 0.460 644 D N -0.932 119.454 120.400 -0.022 0.000 2.323 644 D HA 0.185 4.869 4.640 0.073 0.000 0.239 644 D C 1.565 177.853 176.300 -0.019 0.000 1.129 644 D CA 0.421 54.410 54.000 -0.019 0.000 0.865 644 D CB -0.392 40.397 40.800 -0.019 0.000 0.913 644 D HN 0.426 nan 8.370 nan 0.000 0.517 645 G N -0.384 108.402 108.800 -0.022 0.000 2.143 645 G HA2 -0.278 3.726 3.960 0.073 0.000 0.249 645 G HA3 -0.278 3.726 3.960 0.073 0.000 0.249 645 G C 0.348 175.233 174.900 -0.025 0.000 0.981 645 G CA 0.337 45.424 45.100 -0.023 0.000 0.665 645 G HN 0.458 nan 8.290 nan 0.000 0.528 646 T N 0.868 115.406 114.554 -0.026 0.000 2.870 646 T HA 0.420 4.813 4.350 0.073 0.000 0.300 646 T C 0.699 175.379 174.700 -0.034 0.000 0.989 646 T CA -0.078 62.007 62.100 -0.026 0.000 1.139 646 T CB 2.150 71.004 68.868 -0.024 0.000 0.920 646 T HN 0.393 nan 8.240 nan 0.000 0.537 647 V N 5.365 125.260 119.914 -0.031 0.000 2.408 647 V HA 0.195 4.359 4.120 0.073 0.000 0.267 647 V C -0.201 175.869 176.094 -0.039 0.000 1.047 647 V CA -0.643 61.634 62.300 -0.038 0.000 0.937 647 V CB 0.656 32.461 31.823 -0.030 0.000 0.999 647 V HN 0.551 nan 8.190 nan 0.000 0.472 648 L N 9.417 130.607 121.223 -0.055 0.000 2.276 648 L HA 0.507 4.891 4.340 0.073 0.000 0.286 648 L C -2.152 174.683 176.870 -0.058 0.000 1.024 648 L CA -2.417 52.390 54.840 -0.055 0.000 0.826 648 L CB 1.506 43.521 42.059 -0.073 0.000 1.211 648 L HN 0.419 nan 8.230 nan 0.000 0.422 649 P HA 0.265 nan 4.420 nan 0.000 0.287 649 P C -0.282 177.004 177.300 -0.024 0.000 1.281 649 P CA -0.286 62.797 63.100 -0.029 0.000 0.781 649 P CB 0.903 32.594 31.700 -0.016 0.000 0.903 650 I N 2.691 123.248 120.570 -0.023 0.000 2.416 650 I HA 0.150 4.364 4.170 0.073 0.000 0.288 650 I C 1.650 177.764 176.117 -0.004 0.000 1.051 650 I CA -0.277 61.015 61.300 -0.012 0.000 1.375 650 I CB 1.135 39.135 38.000 0.000 0.000 1.407 650 I HN 0.370 nan 8.210 nan 0.000 0.516 651 A N 5.331 128.152 122.820 0.002 0.000 1.935 651 A HA 0.547 4.911 4.320 0.073 0.000 0.214 651 A C 1.016 178.605 177.584 0.007 0.000 1.178 651 A CA 1.259 53.302 52.037 0.009 0.000 0.640 651 A CB 0.031 19.045 19.000 0.023 0.000 0.825 651 A HN 0.827 nan 8.150 nan 0.000 0.447 652 A N -2.141 120.677 122.820 -0.003 0.000 2.536 652 A HA 0.597 4.961 4.320 0.073 0.000 0.293 652 A C -0.055 177.490 177.584 -0.065 0.000 1.119 652 A CA 0.146 52.178 52.037 -0.008 0.000 0.654 652 A CB -0.223 18.796 19.000 0.031 0.000 1.291 652 A HN 0.731 nan 8.150 nan 0.000 0.439 653 T N -1.976 112.536 114.554 -0.070 0.000 2.897 653 T HA 0.602 4.996 4.350 0.073 0.000 0.278 653 T C 0.904 175.559 174.700 -0.075 0.000 0.981 653 T CA -0.054 61.928 62.100 -0.198 0.000 0.973 653 T CB 0.223 69.003 68.868 -0.148 0.000 1.092 653 T HN 0.460 nan 8.240 nan 0.000 0.543 654 F N 0.447 120.427 119.950 0.050 0.000 2.095 654 F HA -0.015 4.556 4.527 0.073 0.000 0.298 654 F C 2.976 178.920 175.800 0.239 0.000 1.104 654 F CA 1.018 59.119 58.000 0.168 0.000 1.232 654 F CB -0.639 38.428 39.000 0.111 0.000 0.987 654 F HN 0.681 nan 8.300 nan 0.000 0.475 655 A N 0.129 123.119 122.820 0.284 0.000 2.067 655 A HA 0.087 4.451 4.320 0.073 0.000 0.217 655 A C 2.357 180.007 177.584 0.110 0.000 1.156 655 A CA 1.327 53.465 52.037 0.168 0.000 0.683 655 A CB -1.249 17.809 19.000 0.095 0.000 0.808 655 A HN 0.402 nan 8.150 nan 0.000 0.455 656 G N -1.123 107.734 108.800 0.095 0.000 2.494 656 G HA2 0.346 4.350 3.960 0.073 0.000 0.216 656 G HA3 0.346 4.350 3.960 0.073 0.000 0.216 656 G C 0.600 175.550 174.900 0.083 0.000 1.140 656 G CA 0.827 45.964 45.100 0.062 0.000 0.801 656 G HN 0.954 nan 8.290 nan 0.000 0.536 657 A N 1.250 124.155 122.820 0.142 0.000 3.030 657 A HA 0.691 5.055 4.320 0.073 0.000 0.335 657 A C -2.627 175.109 177.584 0.255 0.000 1.089 657 A CA -1.205 50.931 52.037 0.166 0.000 0.807 657 A CB 1.239 20.337 19.000 0.163 0.000 1.099 657 A HN 0.104 nan 8.150 nan 0.000 0.474 658 P HA 0.051 nan 4.420 nan 0.000 0.271 658 P C 1.338 178.455 177.300 -0.305 0.000 1.233 658 P CA 0.347 63.370 63.100 -0.128 0.000 0.789 658 P CB 0.779 32.408 31.700 -0.118 0.000 0.951 659 S N 0.525 115.687 115.700 -0.897 0.000 2.402 659 S HA -0.192 4.322 4.470 0.073 0.000 0.233 659 S C 1.851 176.335 174.600 -0.192 0.000 1.030 659 S CA 1.184 59.046 58.200 -0.562 0.000 1.003 659 S CB -1.219 61.608 63.200 -0.622 0.000 0.813 659 S HN 0.205 nan 8.310 nan 0.000 0.477 660 L N 2.597 123.705 121.223 -0.191 0.000 2.129 660 L HA -0.069 4.315 4.340 0.073 0.000 0.212 660 L C 2.834 179.567 176.870 -0.228 0.000 1.087 660 L CA 2.206 56.928 54.840 -0.196 0.000 0.757 660 L CB -1.576 40.353 42.059 -0.217 0.000 0.896 660 L HN 0.794 nan 8.230 nan 0.000 0.434 661 T N -4.220 110.276 114.554 -0.097 0.000 3.107 661 T HA 0.250 4.643 4.350 0.073 0.000 0.249 661 T C 0.388 175.203 174.700 0.191 0.000 1.096 661 T CA 0.388 62.531 62.100 0.072 0.000 1.012 661 T CB -0.462 68.508 68.868 0.169 0.000 0.977 661 T HN 0.066 nan 8.240 nan 0.000 0.527 662 V N -2.780 117.203 119.914 0.115 0.000 3.155 662 V HA 0.580 4.744 4.120 0.073 0.000 0.313 662 V C -0.257 175.890 176.094 0.088 0.000 1.162 662 V CA -0.971 61.412 62.300 0.139 0.000 1.048 662 V CB 2.115 34.030 31.823 0.154 0.000 1.092 662 V HN -0.004 nan 8.190 nan 0.000 0.447 663 D N 0.822 121.271 120.400 0.081 0.000 2.366 663 D HA 0.502 5.186 4.640 0.073 0.000 0.205 663 D C 0.556 176.846 176.300 -0.016 0.000 1.022 663 D CA 1.450 55.471 54.000 0.035 0.000 0.868 663 D CB 1.502 42.340 40.800 0.062 0.000 0.953 663 D HN 0.988 nan 8.370 nan 0.000 0.514 664 A N 0.115 122.942 122.820 0.011 0.000 2.601 664 A HA 0.543 4.907 4.320 0.073 0.000 0.291 664 A C -1.595 176.006 177.584 0.027 0.000 1.075 664 A CA -0.550 51.479 52.037 -0.013 0.000 0.671 664 A CB 1.557 20.533 19.000 -0.041 0.000 1.277 664 A HN -0.103 nan 8.150 nan 0.000 0.417 665 V N 1.064 120.985 119.914 0.012 0.000 2.531 665 V HA 0.580 4.744 4.120 0.073 0.000 0.301 665 V C -0.773 175.322 176.094 0.002 0.000 1.034 665 V CA -0.164 62.151 62.300 0.025 0.000 0.865 665 V CB 1.413 33.262 31.823 0.044 0.000 0.995 665 V HN 0.679 nan 8.190 nan 0.000 0.424 666 I N 4.456 125.034 120.570 0.014 0.000 2.498 666 I HA 0.565 4.779 4.170 0.073 0.000 0.290 666 I C -0.845 175.296 176.117 0.039 0.000 1.032 666 I CA -0.962 60.376 61.300 0.064 0.000 1.073 666 I CB 2.339 40.411 38.000 0.121 0.000 1.251 666 I HN 0.277 nan 8.210 nan 0.000 0.426 667 V N 7.288 127.243 119.914 0.068 0.000 2.326 667 V HA 0.351 4.515 4.120 0.073 0.000 0.281 667 V C -2.107 174.042 176.094 0.091 0.000 1.015 667 V CA -1.604 60.726 62.300 0.049 0.000 0.823 667 V CB 1.111 32.950 31.823 0.025 0.000 1.009 667 V HN 0.555 nan 8.190 nan 0.000 0.436 668 P HA 0.208 nan 4.420 nan 0.000 0.274 668 P C 0.278 177.595 177.300 0.027 0.000 1.256 668 P CA -0.173 62.935 63.100 0.014 0.000 0.795 668 P CB 1.178 32.880 31.700 0.003 0.000 1.038 669 C N -0.210 119.084 119.300 -0.010 0.000 2.672 669 C HA 0.766 5.270 4.460 0.073 0.000 0.317 669 C C 1.299 176.296 174.990 0.013 0.000 2.142 669 C CA 1.342 60.363 59.018 0.004 0.000 1.910 669 C CB -0.449 27.276 27.740 -0.025 0.000 1.919 669 C HN 0.940 nan 8.230 nan 0.000 0.515 670 G N 0.415 109.219 108.800 0.007 0.000 2.295 670 G HA2 -0.101 3.903 3.960 0.073 0.000 0.195 670 G HA3 -0.101 3.903 3.960 0.073 0.000 0.195 670 G C -0.494 174.416 174.900 0.017 0.000 1.269 670 G CA 0.096 45.201 45.100 0.008 0.000 1.170 670 G HN 1.073 nan 8.290 nan 0.000 0.511 671 N N 1.453 120.170 118.700 0.028 0.000 2.895 671 N HA 0.155 4.939 4.740 0.073 0.000 0.277 671 N C 1.566 177.108 175.510 0.053 0.000 1.185 671 N CA -0.590 52.480 53.050 0.033 0.000 1.106 671 N CB -0.222 38.288 38.487 0.037 0.000 1.422 671 N HN 0.401 nan 8.380 nan 0.000 0.521 672 I N 1.857 122.447 120.570 0.033 0.000 2.423 672 I HA -0.233 3.981 4.170 0.073 0.000 0.254 672 I C 2.381 178.497 176.117 -0.001 0.000 1.151 672 I CA 0.735 62.052 61.300 0.030 0.000 1.421 672 I CB -1.324 36.660 38.000 -0.026 0.000 1.079 672 I HN 0.481 nan 8.210 nan 0.000 0.431 673 A N 0.699 123.513 122.820 -0.009 0.000 2.024 673 A HA -0.284 4.080 4.320 0.073 0.000 0.220 673 A C 2.072 179.675 177.584 0.033 0.000 1.164 673 A CA 2.118 54.149 52.037 -0.011 0.000 0.643 673 A CB -0.680 18.316 19.000 -0.007 0.000 0.806 673 A HN 0.459 nan 8.150 nan 0.000 0.451 674 D N 0.287 120.735 120.400 0.080 0.000 2.178 674 D HA -0.128 4.556 4.640 0.073 0.000 0.201 674 D C 1.513 177.900 176.300 0.146 0.000 0.980 674 D CA 1.667 55.741 54.000 0.124 0.000 0.842 674 D CB -0.214 40.693 40.800 0.179 0.000 0.948 674 D HN 0.638 nan 8.370 nan 0.000 0.472 675 I N -4.047 116.630 120.570 0.179 0.000 4.154 675 I HA 0.496 4.710 4.170 0.073 0.000 0.334 675 I C 1.902 178.163 176.117 0.241 0.000 1.371 675 I CA -0.096 61.337 61.300 0.220 0.000 1.110 675 I CB 0.117 38.291 38.000 0.289 0.000 1.085 675 I HN -0.082 nan 8.210 nan 0.000 0.398 676 A N 1.735 124.596 122.820 0.068 0.000 1.948 676 A HA -0.189 4.175 4.320 0.073 0.000 0.220 676 A C 1.681 179.245 177.584 -0.035 0.000 1.177 676 A CA 2.157 54.088 52.037 -0.176 0.000 0.636 676 A CB -0.504 18.329 19.000 -0.277 0.000 0.815 676 A HN 0.532 nan 8.150 nan 0.000 0.449 677 D N -0.650 119.761 120.400 0.017 0.000 2.368 677 D HA 0.022 4.706 4.640 0.073 0.000 0.218 677 D C -0.024 176.311 176.300 0.059 0.000 1.112 677 D CA -0.178 53.839 54.000 0.028 0.000 0.834 677 D CB -0.173 40.632 40.800 0.009 0.000 0.953 677 D HN 0.321 nan 8.370 nan 0.000 0.505 678 N N 1.123 119.877 118.700 0.091 0.000 2.442 678 N HA 0.018 4.802 4.740 0.073 0.000 0.265 678 N C 1.354 176.908 175.510 0.073 0.000 1.138 678 N CA 0.068 53.168 53.050 0.082 0.000 0.956 678 N CB 1.515 40.063 38.487 0.102 0.000 1.067 678 N HN -0.009 nan 8.380 nan 0.000 0.474 679 G N 3.194 112.032 108.800 0.064 0.000 2.418 679 G HA2 -0.248 3.756 3.960 0.073 0.000 0.217 679 G HA3 -0.248 3.756 3.960 0.073 0.000 0.217 679 G C 0.967 175.918 174.900 0.085 0.000 1.158 679 G CA 0.549 45.688 45.100 0.065 0.000 0.771 679 G HN 0.677 nan 8.290 nan 0.000 0.545 680 D N 1.151 121.607 120.400 0.093 0.000 2.117 680 D HA -0.084 4.600 4.640 0.073 0.000 0.197 680 D C 2.862 179.178 176.300 0.027 0.000 0.987 680 D CA 1.225 55.310 54.000 0.143 0.000 0.829 680 D CB -0.289 40.653 40.800 0.238 0.000 0.961 680 D HN 0.326 nan 8.370 nan 0.000 0.460 681 A N 1.794 124.487 122.820 -0.210 0.000 1.865 681 A HA -0.209 4.155 4.320 0.073 0.000 0.217 681 A C 2.045 179.434 177.584 -0.326 0.000 1.191 681 A CA 1.363 53.034 52.037 -0.610 0.000 0.623 681 A CB -0.558 18.117 19.000 -0.541 0.000 0.826 681 A HN 0.150 nan 8.150 nan 0.000 0.444 682 N N -1.630 117.021 118.700 -0.082 0.000 2.120 682 N HA -0.186 4.598 4.740 0.073 0.000 0.188 682 N C 1.699 177.197 175.510 -0.020 0.000 1.024 682 N CA 1.769 54.815 53.050 -0.007 0.000 0.852 682 N CB -0.473 38.080 38.487 0.111 0.000 1.003 682 N HN 0.686 nan 8.380 nan 0.000 0.424 683 Y N 0.649 120.914 120.300 -0.057 0.000 2.224 683 Y HA -0.288 4.306 4.550 0.073 0.000 0.289 683 Y C 2.389 178.241 175.900 -0.081 0.000 1.146 683 Y CA 1.332 59.395 58.100 -0.061 0.000 1.182 683 Y CB -0.398 38.034 38.460 -0.047 0.000 0.983 683 Y HN 0.014 nan 8.280 nan 0.000 0.524 684 Y N -0.194 119.993 120.300 -0.188 0.000 2.069 684 Y HA -0.357 4.236 4.550 0.073 0.000 0.278 684 Y C 2.132 177.845 175.900 -0.311 0.000 1.175 684 Y CA 1.946 59.904 58.100 -0.236 0.000 1.134 684 Y CB -0.527 37.775 38.460 -0.262 0.000 0.965 684 Y HN 0.125 nan 8.280 nan 0.000 0.498 685 L N -0.641 120.518 121.223 -0.108 0.000 2.056 685 L HA -0.229 4.155 4.340 0.073 0.000 0.207 685 L C 2.341 179.102 176.870 -0.182 0.000 1.078 685 L CA 1.714 56.469 54.840 -0.142 0.000 0.749 685 L CB -1.413 40.527 42.059 -0.199 0.000 0.901 685 L HN 0.374 nan 8.230 nan 0.000 0.433 686 M N -0.882 118.556 119.600 -0.271 0.000 2.117 686 M HA -0.228 4.296 4.480 0.073 0.000 0.262 686 M C 2.168 178.242 176.300 -0.378 0.000 1.065 686 M CA 1.599 56.733 55.300 -0.277 0.000 1.114 686 M CB -0.370 32.056 32.600 -0.289 0.000 1.361 686 M HN 0.264 nan 8.290 nan 0.000 0.408 687 E N 0.604 120.405 120.200 -0.666 0.000 2.072 687 E HA -0.171 4.223 4.350 0.073 0.000 0.191 687 E C 1.982 178.251 176.600 -0.553 0.000 0.985 687 E CA 1.256 57.218 56.400 -0.729 0.000 0.801 687 E CB 0.036 29.247 29.700 -0.815 0.000 0.750 687 E HN 0.467 nan 8.360 nan 0.000 0.452 688 A N 0.240 122.856 122.820 -0.340 0.000 1.898 688 A HA -0.187 4.177 4.320 0.073 0.000 0.216 688 A C 2.027 179.523 177.584 -0.147 0.000 1.181 688 A CA 1.366 53.293 52.037 -0.184 0.000 0.620 688 A CB -0.886 18.060 19.000 -0.091 0.000 0.819 688 A HN 0.555 nan 8.150 nan 0.000 0.442 689 Y N 0.604 120.759 120.300 -0.241 0.000 2.114 689 Y HA -0.208 4.386 4.550 0.073 0.000 0.284 689 Y C 2.420 178.196 175.900 -0.207 0.000 1.143 689 Y CA 2.386 60.368 58.100 -0.197 0.000 1.135 689 Y CB -0.214 38.145 38.460 -0.169 0.000 0.980 689 Y HN 0.301 nan 8.280 nan 0.000 0.499 690 K N -0.585 119.712 120.400 -0.172 0.000 2.103 690 K HA -0.235 4.129 4.320 0.073 0.000 0.207 690 K C 1.065 177.534 176.600 -0.218 0.000 1.048 690 K CA 2.069 58.210 56.287 -0.244 0.000 0.930 690 K CB -0.474 31.831 32.500 -0.326 0.000 0.716 690 K HN 0.594 nan 8.250 nan 0.000 0.444 691 H N 0.345 119.302 119.070 -0.189 0.000 2.536 691 H HA 0.180 4.780 4.556 0.073 0.000 0.276 691 H C -0.054 175.115 175.328 -0.265 0.000 1.019 691 H CA 0.085 56.015 56.048 -0.197 0.000 1.159 691 H CB 0.086 29.729 29.762 -0.199 0.000 1.373 691 H HN 0.121 nan 8.280 nan 0.000 0.584 692 L N 0.405 121.488 121.223 -0.233 0.000 3.865 692 L HA -0.281 4.103 4.340 0.073 0.000 0.408 692 L C -0.426 176.191 176.870 -0.421 0.000 1.209 692 L CA 0.593 55.203 54.840 -0.384 0.000 0.940 692 L CB -1.612 40.199 42.059 -0.413 0.000 1.971 692 L HN 0.338 nan 8.230 nan 0.000 0.899 693 K N 0.926 121.147 120.400 -0.299 0.000 2.174 693 K HA 0.455 4.819 4.320 0.073 0.000 0.275 693 K C -2.121 174.345 176.600 -0.223 0.000 1.015 693 K CA -1.877 54.252 56.287 -0.263 0.000 0.933 693 K CB 0.615 33.019 32.500 -0.161 0.000 1.025 693 K HN -0.197 nan 8.250 nan 0.000 0.463 694 P HA -0.004 nan 4.420 nan 0.000 0.262 694 P C -0.701 176.531 177.300 -0.114 0.000 1.182 694 P CA 0.575 63.572 63.100 -0.172 0.000 0.761 694 P CB 0.333 31.933 31.700 -0.167 0.000 0.795 695 I N 2.026 122.542 120.570 -0.091 0.000 2.545 695 I HA 0.641 4.855 4.170 0.073 0.000 0.292 695 I C -0.243 175.824 176.117 -0.084 0.000 1.040 695 I CA -0.866 60.401 61.300 -0.055 0.000 1.068 695 I CB 2.241 40.238 38.000 -0.005 0.000 1.251 695 I HN 0.259 nan 8.210 nan 0.000 0.424 696 A N 7.421 130.200 122.820 -0.068 0.000 2.359 696 A HA 0.862 5.226 4.320 0.073 0.000 0.303 696 A C -1.194 176.479 177.584 0.149 0.000 1.066 696 A CA -0.420 51.549 52.037 -0.114 0.000 0.730 696 A CB 1.010 19.775 19.000 -0.392 0.000 1.211 696 A HN 0.646 nan 8.150 nan 0.000 0.439 697 L N 2.206 123.569 121.223 0.234 0.000 2.349 697 L HA 0.747 5.131 4.340 0.073 0.000 0.278 697 L C 0.288 177.371 176.870 0.355 0.000 0.996 697 L CA -0.566 54.439 54.840 0.275 0.000 0.825 697 L CB 1.977 44.144 42.059 0.179 0.000 1.243 697 L HN 0.785 nan 8.230 nan 0.000 0.412 698 A N 2.191 125.130 122.820 0.199 0.000 2.324 698 A HA 0.856 5.220 4.320 0.073 0.000 0.330 698 A C 0.676 178.260 177.584 0.001 0.000 1.165 698 A CA 0.276 52.312 52.037 -0.003 0.000 0.813 698 A CB 1.211 20.013 19.000 -0.330 0.000 1.197 698 A HN 0.977 nan 8.150 nan 0.000 0.484 699 G N 1.843 110.633 108.800 -0.017 0.000 2.660 699 G HA2 -0.367 3.637 3.960 0.073 0.000 0.321 699 G HA3 -0.367 3.637 3.960 0.073 0.000 0.321 699 G C 0.572 175.475 174.900 0.005 0.000 1.246 699 G CA 1.030 46.122 45.100 -0.014 0.000 1.000 699 G HN 0.711 nan 8.290 nan 0.000 0.550 700 D N 1.286 121.684 120.400 -0.004 0.000 2.264 700 D HA 0.200 4.884 4.640 0.073 0.000 0.208 700 D C 2.649 178.943 176.300 -0.011 0.000 0.966 700 D CA 1.665 55.654 54.000 -0.018 0.000 0.864 700 D CB -0.706 40.077 40.800 -0.029 0.000 0.933 700 D HN 0.795 nan 8.370 nan 0.000 0.499 701 A N 0.587 123.443 122.820 0.059 0.000 2.131 701 A HA -0.194 4.170 4.320 0.073 0.000 0.220 701 A C 2.034 179.721 177.584 0.172 0.000 1.158 701 A CA 0.917 53.063 52.037 0.181 0.000 0.665 701 A CB -0.461 18.672 19.000 0.222 0.000 0.795 701 A HN 0.138 nan 8.150 nan 0.000 0.460 702 R N -0.359 120.191 120.500 0.084 0.000 2.293 702 R HA -0.084 4.300 4.340 0.073 0.000 0.219 702 R C 1.660 177.964 176.300 0.006 0.000 1.091 702 R CA 1.212 57.349 56.100 0.062 0.000 1.004 702 R CB -0.160 30.165 30.300 0.042 0.000 0.865 702 R HN 0.542 nan 8.270 nan 0.000 0.469 703 K N -0.424 119.931 120.400 -0.076 0.000 2.283 703 K HA -0.102 4.262 4.320 0.073 0.000 0.202 703 K C 1.305 177.780 176.600 -0.208 0.000 1.048 703 K CA 1.068 57.251 56.287 -0.173 0.000 0.948 703 K CB -0.017 32.328 32.500 -0.258 0.000 0.742 703 K HN 0.160 nan 8.250 nan 0.000 0.458 704 F N 1.569 121.495 119.950 -0.040 0.000 2.365 704 F HA -0.095 4.476 4.527 0.074 0.000 0.300 704 F C 1.938 177.691 175.800 -0.078 0.000 1.090 704 F CA 0.836 58.800 58.000 -0.059 0.000 1.408 704 F CB -0.047 38.916 39.000 -0.062 0.000 1.060 704 F HN -0.085 nan 8.300 nan 0.000 0.534 705 K N 0.372 120.816 120.400 0.074 0.000 2.127 705 K HA -0.251 4.113 4.320 0.073 0.000 0.208 705 K C 2.293 178.864 176.600 -0.048 0.000 1.047 705 K CA 1.280 57.563 56.287 -0.006 0.000 0.927 705 K CB -0.436 32.059 32.500 -0.009 0.000 0.716 705 K HN 0.283 nan 8.250 nan 0.000 0.450 706 A N 0.460 123.258 122.820 -0.038 0.000 1.933 706 A HA -0.191 4.173 4.320 0.073 0.000 0.218 706 A C 2.226 179.780 177.584 -0.050 0.000 1.175 706 A CA 2.162 54.170 52.037 -0.049 0.000 0.628 706 A CB -0.880 18.090 19.000 -0.050 0.000 0.814 706 A HN 0.358 nan 8.150 nan 0.000 0.444 707 T N 0.179 114.723 114.554 -0.017 0.000 2.867 707 T HA -0.056 4.338 4.350 0.073 0.000 0.268 707 T C 1.349 175.986 174.700 -0.105 0.000 1.057 707 T CA 1.439 63.529 62.100 -0.017 0.000 1.136 707 T CB -0.565 68.343 68.868 0.066 0.000 0.874 707 T HN 0.621 nan 8.240 nan 0.000 0.466 708 I N -2.420 118.031 120.570 -0.198 0.000 3.891 708 I HA 0.461 4.675 4.170 0.073 0.000 0.331 708 I C -0.120 175.753 176.117 -0.407 0.000 1.406 708 I CA -0.587 60.458 61.300 -0.425 0.000 1.139 708 I CB -0.054 37.481 38.000 -0.775 0.000 1.056 708 I HN -0.092 nan 8.210 nan 0.000 0.399 709 K N 1.715 121.989 120.400 -0.209 0.000 3.150 709 K HA -0.099 4.265 4.320 0.073 0.000 0.267 709 K C -0.529 175.995 176.600 -0.127 0.000 1.028 709 K CA 0.601 56.806 56.287 -0.136 0.000 0.753 709 K CB -1.761 30.677 32.500 -0.104 0.000 1.288 709 K HN 0.445 nan 8.250 nan 0.000 0.473 710 I N 0.237 120.731 120.570 -0.125 0.000 2.428 710 I HA 0.408 4.622 4.170 0.073 0.000 0.296 710 I C 1.360 177.455 176.117 -0.037 0.000 0.985 710 I CA -1.212 60.044 61.300 -0.074 0.000 1.260 710 I CB 0.990 38.948 38.000 -0.070 0.000 1.389 710 I HN 0.298 nan 8.210 nan 0.000 0.484 711 A N 4.448 127.258 122.820 -0.016 0.000 2.406 711 A HA 0.108 4.472 4.320 0.073 0.000 0.243 711 A C 0.955 178.535 177.584 -0.007 0.000 1.082 711 A CA -0.153 51.879 52.037 -0.009 0.000 0.786 711 A CB 0.082 19.082 19.000 0.000 0.000 1.029 711 A HN 0.759 nan 8.150 nan 0.000 0.495 712 D N 0.041 120.438 120.400 -0.006 0.000 2.144 712 D HA -0.173 4.511 4.640 0.073 0.000 0.199 712 D C 2.087 178.388 176.300 0.002 0.000 0.984 712 D CA 1.995 55.993 54.000 -0.003 0.000 0.834 712 D CB -0.189 40.608 40.800 -0.004 0.000 0.955 712 D HN 0.812 nan 8.370 nan 0.000 0.465 713 Q N 0.202 120.004 119.800 0.003 0.000 2.437 713 Q HA 0.144 4.528 4.340 0.073 0.000 0.210 713 Q C 1.069 177.073 176.000 0.007 0.000 0.972 713 Q CA 0.877 56.683 55.803 0.005 0.000 0.903 713 Q CB -0.027 28.714 28.738 0.005 0.000 0.967 713 Q HN 0.119 nan 8.270 nan 0.000 0.486 714 G N 1.352 110.156 108.800 0.007 0.000 2.660 714 G HA2 -0.209 3.795 3.960 0.073 0.000 0.247 714 G HA3 -0.209 3.795 3.960 0.073 0.000 0.247 714 G C -1.163 173.743 174.900 0.011 0.000 1.328 714 G CA -0.265 44.841 45.100 0.009 0.000 0.884 714 G HN 0.655 nan 8.290 nan 0.000 0.531 715 E N -0.921 119.287 120.200 0.013 0.000 2.378 715 E HA 0.495 4.889 4.350 0.073 0.000 0.283 715 E C -0.796 175.803 176.600 -0.001 0.000 0.979 715 E CA -0.974 55.435 56.400 0.015 0.000 0.795 715 E CB 1.286 31.010 29.700 0.041 0.000 1.221 715 E HN 0.425 nan 8.360 nan 0.000 0.428 716 E N 1.257 121.447 120.200 -0.016 0.000 2.558 716 E HA 0.193 4.587 4.350 0.073 0.000 0.255 716 E C 0.859 177.421 176.600 -0.063 0.000 0.968 716 E CA 1.820 58.195 56.400 -0.041 0.000 0.939 716 E CB 0.959 30.634 29.700 -0.042 0.000 0.921 716 E HN 0.935 nan 8.360 nan 0.000 0.477 717 G N 2.991 111.739 108.800 -0.085 0.000 2.231 717 G HA2 -0.187 3.817 3.960 0.073 0.000 0.206 717 G HA3 -0.187 3.817 3.960 0.073 0.000 0.206 717 G C 0.098 174.947 174.900 -0.085 0.000 0.996 717 G CA -0.424 44.605 45.100 -0.119 0.000 0.645 717 G HN 0.405 nan 8.290 nan 0.000 0.498 718 I N 2.421 122.963 120.570 -0.047 0.000 2.437 718 I HA 0.436 4.650 4.170 0.073 0.000 0.279 718 I C 0.456 176.532 176.117 -0.069 0.000 1.028 718 I CA -1.067 60.215 61.300 -0.029 0.000 1.142 718 I CB 1.189 39.206 38.000 0.028 0.000 1.266 718 I HN -0.094 nan 8.210 nan 0.000 0.461 719 V N 7.430 127.258 119.914 -0.143 0.000 2.530 719 V HA 0.324 4.488 4.120 0.073 0.000 0.282 719 V C 0.376 176.393 176.094 -0.128 0.000 1.048 719 V CA -0.305 61.859 62.300 -0.227 0.000 0.997 719 V CB 1.101 32.634 31.823 -0.484 0.000 0.987 719 V HN 0.837 nan 8.190 nan 0.000 0.477 720 E N 4.037 124.233 120.200 -0.006 0.000 2.390 720 E HA 0.901 5.295 4.350 0.073 0.000 0.277 720 E C -0.902 175.834 176.600 0.228 0.000 0.939 720 E CA -0.992 55.503 56.400 0.159 0.000 0.769 720 E CB 2.633 32.389 29.700 0.093 0.000 1.251 720 E HN 0.858 nan 8.360 nan 0.000 0.450 721 A N 1.370 124.344 122.820 0.258 0.000 2.490 721 A HA 0.259 4.623 4.320 0.073 0.000 0.292 721 A C -0.658 176.967 177.584 0.069 0.000 1.047 721 A CA -0.514 51.626 52.037 0.171 0.000 0.632 721 A CB 0.704 19.857 19.000 0.255 0.000 1.323 721 A HN 0.622 nan 8.150 nan 0.000 0.448 722 D N 0.364 120.777 120.400 0.021 0.000 2.149 722 D HA 0.041 4.725 4.640 0.073 0.000 0.201 722 D C 1.072 177.330 176.300 -0.071 0.000 0.972 722 D CA 2.231 56.221 54.000 -0.017 0.000 0.835 722 D CB 0.081 40.873 40.800 -0.015 0.000 0.966 722 D HN 0.776 nan 8.370 nan 0.000 0.476 723 S N -1.230 114.400 115.700 -0.117 0.000 2.632 723 S HA 0.657 5.171 4.470 0.073 0.000 0.289 723 S C -0.378 173.963 174.600 -0.432 0.000 1.115 723 S CA -0.865 57.213 58.200 -0.203 0.000 0.889 723 S CB 2.384 65.507 63.200 -0.129 0.000 1.116 723 S HN 0.011 nan 8.310 nan 0.000 0.486 724 A N 1.433 123.925 122.820 -0.546 0.000 3.118 724 A HA 0.612 4.976 4.320 0.073 0.000 0.256 724 A C 0.056 177.381 177.584 -0.432 0.000 1.667 724 A CA -0.024 51.448 52.037 -0.943 0.000 1.338 724 A CB -1.424 17.164 19.000 -0.686 0.000 1.127 724 A HN 0.813 nan 8.150 nan 0.000 0.634 725 D N -1.950 118.312 120.400 -0.229 0.000 3.924 725 D HA 0.419 5.103 4.640 0.073 0.000 0.371 725 D C 0.755 177.090 176.300 0.059 0.000 1.595 725 D CA 1.000 55.006 54.000 0.010 0.000 0.920 725 D CB -0.255 40.552 40.800 0.011 0.000 1.494 725 D HN 1.085 nan 8.370 nan 0.000 0.574 726 G N 0.341 109.170 108.800 0.048 0.000 2.588 726 G HA2 -0.241 3.763 3.960 0.073 0.000 0.273 726 G HA3 -0.241 3.763 3.960 0.073 0.000 0.273 726 G C 0.703 175.648 174.900 0.075 0.000 1.211 726 G CA 1.622 46.751 45.100 0.048 0.000 0.958 726 G HN 1.299 nan 8.290 nan 0.000 0.543 727 S N 0.263 116.017 115.700 0.090 0.000 2.577 727 S HA 0.438 4.952 4.470 0.073 0.000 0.219 727 S C 1.716 176.390 174.600 0.124 0.000 0.962 727 S CA 0.981 59.231 58.200 0.084 0.000 0.921 727 S CB 0.146 63.378 63.200 0.053 0.000 0.789 727 S HN 1.201 nan 8.310 nan 0.000 0.497 728 F N 2.811 122.759 119.950 -0.003 0.000 2.095 728 F HA -0.008 4.563 4.527 0.073 0.000 0.298 728 F C 2.058 177.855 175.800 -0.006 0.000 1.104 728 F CA 1.535 59.533 58.000 -0.003 0.000 1.232 728 F CB -0.269 38.730 39.000 -0.001 0.000 0.987 728 F HN 0.158 nan 8.300 nan 0.000 0.475 729 M N 0.029 119.802 119.600 0.290 0.000 2.319 729 M HA -0.123 4.401 4.480 0.073 0.000 0.265 729 M C 1.639 177.956 176.300 0.029 0.000 1.068 729 M CA 1.091 56.480 55.300 0.148 0.000 1.118 729 M CB -1.238 31.466 32.600 0.175 0.000 1.395 729 M HN 0.138 nan 8.290 nan 0.000 0.435 730 D N 0.414 120.832 120.400 0.029 0.000 2.178 730 D HA -0.112 4.572 4.640 0.073 0.000 0.202 730 D C 1.931 178.211 176.300 -0.033 0.000 0.974 730 D CA 0.947 54.947 54.000 0.001 0.000 0.841 730 D CB 0.017 40.824 40.800 0.013 0.000 0.953 730 D HN 0.462 nan 8.370 nan 0.000 0.478 731 E N 0.402 120.566 120.200 -0.060 0.000 2.031 731 E HA -0.125 4.269 4.350 0.073 0.000 0.193 731 E C 2.122 178.636 176.600 -0.143 0.000 0.994 731 E CA 0.237 56.574 56.400 -0.104 0.000 0.800 731 E CB -0.035 29.579 29.700 -0.144 0.000 0.752 731 E HN 0.132 nan 8.360 nan 0.000 0.447 732 L N 1.006 122.109 121.223 -0.200 0.000 2.017 732 L HA -0.179 4.205 4.340 0.073 0.000 0.208 732 L C 2.126 178.930 176.870 -0.111 0.000 1.073 732 L CA 1.416 56.139 54.840 -0.194 0.000 0.745 732 L CB -0.454 41.464 42.059 -0.235 0.000 0.894 732 L HN 0.227 nan 8.230 nan 0.000 0.432 733 L N -0.143 121.037 121.223 -0.072 0.000 2.201 733 L HA -0.137 4.247 4.340 0.073 0.000 0.212 733 L C 2.587 179.431 176.870 -0.042 0.000 1.105 733 L CA 1.545 56.358 54.840 -0.044 0.000 0.775 733 L CB -1.671 40.374 42.059 -0.024 0.000 0.913 733 L HN 0.266 nan 8.230 nan 0.000 0.440 734 T N -0.490 114.034 114.554 -0.049 0.000 2.857 734 T HA -0.077 4.317 4.350 0.073 0.000 0.266 734 T C 2.073 176.738 174.700 -0.057 0.000 1.048 734 T CA 0.795 62.871 62.100 -0.041 0.000 1.139 734 T CB -0.060 68.785 68.868 -0.038 0.000 0.874 734 T HN 0.195 nan 8.240 nan 0.000 0.455 735 L N 0.379 121.549 121.223 -0.089 0.000 2.056 735 L HA -0.037 4.347 4.340 0.073 0.000 0.207 735 L C 2.688 179.491 176.870 -0.113 0.000 1.078 735 L CA 1.245 56.014 54.840 -0.119 0.000 0.749 735 L CB -0.597 41.371 42.059 -0.151 0.000 0.901 735 L HN 0.277 nan 8.230 nan 0.000 0.433 736 M N -0.423 119.125 119.600 -0.086 0.000 2.149 736 M HA -0.201 4.323 4.480 0.073 0.000 0.261 736 M C 2.467 178.764 176.300 -0.005 0.000 1.064 736 M CA 1.835 57.103 55.300 -0.053 0.000 1.102 736 M CB -0.546 32.031 32.600 -0.038 0.000 1.369 736 M HN 0.332 nan 8.290 nan 0.000 0.408 737 A N 0.190 123.008 122.820 -0.003 0.000 2.015 737 A HA 0.070 4.434 4.320 0.073 0.000 0.219 737 A C 2.097 179.715 177.584 0.057 0.000 1.163 737 A CA 1.627 53.681 52.037 0.027 0.000 0.646 737 A CB -0.615 18.395 19.000 0.017 0.000 0.806 737 A HN 0.500 nan 8.150 nan 0.000 0.448 738 A N -2.270 120.563 122.820 0.022 0.000 2.337 738 A HA 0.369 4.733 4.320 0.073 0.000 0.227 738 A C 0.905 178.501 177.584 0.020 0.000 1.259 738 A CA 1.096 53.157 52.037 0.039 0.000 0.870 738 A CB -0.613 18.373 19.000 -0.022 0.000 0.927 738 A HN 0.886 nan 8.150 nan 0.000 0.497 739 H N -0.899 118.107 119.070 -0.108 0.000 4.793 739 H HA -0.220 4.380 4.556 0.073 0.000 0.067 739 H C 0.011 175.112 175.328 -0.378 0.000 0.575 739 H CA 2.539 58.493 56.048 -0.156 0.000 1.074 739 H CB -0.493 29.263 29.762 -0.009 0.000 0.820 739 H HN 0.464 nan 8.280 nan 0.000 0.816 740 R N -0.367 119.545 120.500 -0.980 0.000 2.808 740 R HA 0.583 4.967 4.340 0.073 0.000 0.272 740 R C -0.709 174.773 176.300 -1.363 0.000 0.995 740 R CA -0.335 54.964 56.100 -1.336 0.000 0.917 740 R CB 1.755 30.905 30.300 -1.916 0.000 1.217 740 R HN 0.104 nan 8.270 nan 0.000 0.471 741 V N 2.715 122.064 119.914 -0.942 0.000 2.222 741 V HA 0.108 4.272 4.120 0.073 0.000 0.253 741 V C 0.796 176.547 176.094 -0.572 0.000 1.210 741 V CA -0.431 61.483 62.300 -0.643 0.000 1.079 741 V CB -0.281 31.294 31.823 -0.414 0.000 1.265 741 V HN 0.716 nan 8.190 nan 0.000 0.494 742 W N 1.758 122.782 121.300 -0.460 0.000 2.350 742 W HA -0.202 4.501 4.660 0.073 0.000 0.289 742 W C 2.565 178.868 176.519 -0.359 0.000 1.215 742 W CA 0.931 57.908 57.345 -0.612 0.000 1.236 742 W CB -0.388 28.369 29.460 -1.171 0.000 1.130 742 W HN 0.657 nan 8.180 nan 0.000 0.541 743 S N 0.737 116.402 115.700 -0.058 0.000 2.469 743 S HA -0.194 4.320 4.470 0.073 0.000 0.238 743 S C 1.694 176.259 174.600 -0.059 0.000 0.998 743 S CA 1.080 59.258 58.200 -0.036 0.000 0.957 743 S CB -0.482 62.698 63.200 -0.034 0.000 0.764 743 S HN 0.417 nan 8.310 nan 0.000 0.514 744 R N 0.773 121.197 120.500 -0.126 0.000 2.299 744 R HA 0.225 4.609 4.340 0.073 0.000 0.197 744 R C 1.772 178.003 176.300 -0.115 0.000 0.971 744 R CA 0.313 56.316 56.100 -0.161 0.000 1.030 744 R CB -0.391 29.707 30.300 -0.337 0.000 0.932 744 R HN 0.470 nan 8.270 nan 0.000 0.477 745 I N 1.933 122.473 120.570 -0.050 0.000 2.113 745 I HA -0.257 3.957 4.170 0.073 0.000 0.242 745 I C -0.796 175.340 176.117 0.032 0.000 1.064 745 I CA 1.521 62.832 61.300 0.018 0.000 1.320 745 I CB -1.013 37.043 38.000 0.093 0.000 1.028 745 I HN 0.171 nan 8.210 nan 0.000 0.406 746 P HA -0.212 nan 4.420 nan 0.000 0.217 746 P C 0.990 178.318 177.300 0.047 0.000 1.151 746 P CA 1.663 64.789 63.100 0.043 0.000 0.849 746 P CB -0.155 31.567 31.700 0.038 0.000 0.787 747 K N -0.672 119.754 120.400 0.044 0.000 2.400 747 K HA 0.115 4.479 4.320 0.073 0.000 0.194 747 K C 2.006 178.675 176.600 0.114 0.000 1.033 747 K CA 0.630 56.968 56.287 0.085 0.000 1.021 747 K CB -0.320 32.259 32.500 0.132 0.000 0.808 747 K HN 0.328 nan 8.250 nan 0.000 0.505 748 I N -1.385 119.223 120.570 0.064 0.000 2.761 748 I HA -0.078 4.136 4.170 0.073 0.000 0.261 748 I C 1.003 177.166 176.117 0.076 0.000 1.198 748 I CA 1.167 62.510 61.300 0.072 0.000 1.482 748 I CB -0.174 37.823 38.000 -0.005 0.000 1.100 748 I HN -0.186 nan 8.210 nan 0.000 0.445 749 D N 1.996 122.439 120.400 0.072 0.000 2.178 749 D HA -0.136 4.548 4.640 0.073 0.000 0.201 749 D C 1.640 177.978 176.300 0.062 0.000 0.980 749 D CA 1.127 55.169 54.000 0.069 0.000 0.842 749 D CB -0.076 40.765 40.800 0.070 0.000 0.948 749 D HN 0.159 nan 8.370 nan 0.000 0.472 750 K N -0.014 120.424 120.400 0.063 0.000 2.569 750 K HA 0.227 4.590 4.320 0.073 0.000 0.193 750 K C 0.007 176.635 176.600 0.047 0.000 1.026 750 K CA -0.119 56.199 56.287 0.052 0.000 1.093 750 K CB -0.214 32.315 32.500 0.048 0.000 0.849 750 K HN 0.231 nan 8.250 nan 0.000 0.509 751 I N 1.513 122.117 120.570 0.056 0.000 2.354 751 I HA 0.266 4.480 4.170 0.073 0.000 0.286 751 I C -2.333 173.805 176.117 0.035 0.000 1.007 751 I CA -2.807 58.517 61.300 0.039 0.000 1.167 751 I CB 1.482 39.518 38.000 0.059 0.000 1.320 751 I HN -0.084 nan 8.210 nan 0.000 0.458 752 P HA 0.229 nan 4.420 nan 0.000 0.252 752 P C -0.716 176.635 177.300 0.084 0.000 1.694 752 P CA 0.197 63.328 63.100 0.052 0.000 1.163 752 P CB -0.055 31.673 31.700 0.046 0.000 1.934 753 A N 0.000 122.864 122.820 0.074 0.000 2.254 753 A HA 0.000 4.364 4.320 0.073 0.000 0.244 753 A CA 0.000 52.114 52.037 0.129 0.000 0.836 753 A CB 0.000 18.950 19.000 -0.083 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486