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 1p81_1_B 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 DTVREIRGFA 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 0.000 176.286 176.300 -0.024 0.000 2.045 27 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 28 S N 0.616 116.297 115.700 -0.033 0.000 2.286 28 S HA 0.167 4.638 4.470 0.000 0.000 0.228 28 S C 0.091 174.657 174.600 -0.058 0.000 0.668 28 S CA -0.313 57.860 58.200 -0.046 0.000 0.856 28 S CB -0.498 62.678 63.200 -0.040 0.000 1.333 28 S HN 0.378 nan 8.310 nan 0.000 0.406 29 L N 2.065 123.243 121.223 -0.075 0.000 2.316 29 L HA 0.491 4.831 4.340 0.000 0.000 0.207 29 L C 1.549 178.336 176.870 -0.139 0.000 1.070 29 L CA 0.472 55.262 54.840 -0.083 0.000 0.820 29 L CB -0.442 41.577 42.059 -0.067 0.000 0.992 29 L HN 0.675 nan 8.230 nan 0.000 0.466 30 A N 1.972 124.653 122.820 -0.231 0.000 2.555 30 A HA 0.189 4.509 4.320 0.000 0.000 0.233 30 A C -2.054 175.370 177.584 -0.267 0.000 1.060 30 A CA -0.702 51.054 52.037 -0.469 0.000 0.759 30 A CB -0.818 17.652 19.000 -0.883 0.000 0.995 30 A HN 0.043 nan 8.150 nan 0.000 0.506 31 P HA 0.100 nan 4.420 nan 0.000 0.271 31 P C 0.179 177.466 177.300 -0.022 0.000 1.216 31 P CA -0.002 63.063 63.100 -0.058 0.000 0.771 31 P CB 0.980 32.685 31.700 0.009 0.000 0.864 32 E N 2.237 122.431 120.200 -0.010 0.000 2.118 32 E HA -0.220 4.131 4.350 0.000 0.000 0.195 32 E C 1.322 177.942 176.600 0.034 0.000 0.992 32 E CA 1.688 58.092 56.400 0.007 0.000 0.804 32 E CB -0.514 29.187 29.700 0.001 0.000 0.741 32 E HN 0.553 nan 8.360 nan 0.000 0.458 33 D N -1.153 119.271 120.400 0.040 0.000 2.392 33 D HA -0.047 4.593 4.640 0.000 0.000 0.228 33 D C 1.219 177.565 176.300 0.076 0.000 1.003 33 D CA 1.016 55.045 54.000 0.049 0.000 0.917 33 D CB -0.476 40.347 40.800 0.038 0.000 0.890 33 D HN 0.249 nan 8.370 nan 0.000 0.532 34 G N 0.323 109.204 108.800 0.136 0.000 2.153 34 G HA2 -0.338 3.623 3.960 0.000 0.000 0.252 34 G HA3 -0.338 3.623 3.960 0.000 0.000 0.252 34 G C 0.838 175.830 174.900 0.153 0.000 0.994 34 G CA 0.835 46.056 45.100 0.202 0.000 0.698 34 G HN 0.739 nan 8.290 nan 0.000 0.521 35 S N 0.424 116.224 115.700 0.166 0.000 2.754 35 S HA 0.096 4.567 4.470 0.000 0.000 0.223 35 S C 1.673 176.344 174.600 0.118 0.000 0.951 35 S CA 0.850 59.108 58.200 0.096 0.000 0.954 35 S CB -0.446 62.797 63.200 0.072 0.000 0.780 35 S HN 0.908 nan 8.310 nan 0.000 0.509 36 H N 0.011 119.091 119.070 0.015 0.000 2.562 36 H HA 0.398 4.955 4.556 0.000 0.000 0.267 36 H C 0.487 175.829 175.328 0.024 0.000 0.959 36 H CA -0.250 55.808 56.048 0.017 0.000 1.204 36 H CB -0.148 29.623 29.762 0.015 0.000 1.430 36 H HN 0.241 nan 8.280 nan 0.000 0.545 37 R N 2.470 122.645 120.500 -0.542 0.000 2.338 37 R HA 0.383 4.723 4.340 0.000 0.000 0.317 37 R C -2.573 173.636 176.300 -0.152 0.000 0.968 37 R CA -2.089 53.792 56.100 -0.366 0.000 0.849 37 R CB 1.058 31.038 30.300 -0.533 0.000 1.128 37 R HN 0.147 nan 8.270 nan 0.000 0.448 38 P HA 0.146 nan 4.420 nan 0.000 0.271 38 P C -0.970 176.323 177.300 -0.011 0.000 1.216 38 P CA -0.382 62.709 63.100 -0.015 0.000 0.776 38 P CB 0.963 32.680 31.700 0.028 0.000 0.881 39 A N 2.654 125.474 122.820 0.000 0.000 2.483 39 A HA 0.402 4.723 4.320 0.000 0.000 0.238 39 A C 0.831 178.426 177.584 0.019 0.000 1.070 39 A CA 0.097 52.137 52.037 0.005 0.000 0.770 39 A CB -0.335 18.671 19.000 0.010 0.000 1.008 39 A HN 0.570 nan 8.150 nan 0.000 0.497 40 A N 2.705 125.536 122.820 0.017 0.000 3.168 40 A HA 0.517 4.838 4.320 0.000 0.000 0.260 40 A C 0.232 177.833 177.584 0.029 0.000 1.598 40 A CA 0.091 52.143 52.037 0.026 0.000 1.285 40 A CB -0.856 18.157 19.000 0.021 0.000 1.149 40 A HN 0.897 nan 8.150 nan 0.000 0.630 41 E N -0.265 119.955 120.200 0.033 0.000 2.390 41 E HA 0.483 4.834 4.350 0.000 0.000 0.280 41 E C -3.252 173.371 176.600 0.038 0.000 0.992 41 E CA -2.412 54.009 56.400 0.035 0.000 0.790 41 E CB 1.143 30.859 29.700 0.026 0.000 1.248 41 E HN 0.076 nan 8.360 nan 0.000 0.447 42 P HA 0.036 nan 4.420 nan 0.000 0.266 42 P C -0.547 176.766 177.300 0.021 0.000 1.215 42 P CA 0.271 63.389 63.100 0.031 0.000 0.763 42 P CB 0.476 32.182 31.700 0.011 0.000 0.806 43 T N 1.002 115.567 114.554 0.018 0.000 2.900 43 T HA 0.600 4.950 4.350 0.000 0.000 0.295 43 T C -2.971 171.710 174.700 -0.031 0.000 1.044 43 T CA -2.738 59.367 62.100 0.008 0.000 0.995 43 T CB 1.607 70.484 68.868 0.015 0.000 1.072 43 T HN 0.065 nan 8.240 nan 0.000 0.473 44 P HA 0.295 nan 4.420 nan 0.000 0.269 44 P C -2.703 174.468 177.300 -0.216 0.000 1.215 44 P CA -1.436 61.520 63.100 -0.240 0.000 0.780 44 P CB -1.020 30.608 31.700 -0.120 0.000 0.898 45 P HA 0.023 nan 4.420 nan 0.000 0.260 45 P C 1.066 178.325 177.300 -0.070 0.000 1.185 45 P CA 1.508 64.513 63.100 -0.158 0.000 0.763 45 P CB -0.404 31.197 31.700 -0.165 0.000 0.776 46 G N 3.107 111.896 108.800 -0.019 0.000 2.176 46 G HA2 -0.309 3.651 3.960 0.000 0.000 0.253 46 G HA3 -0.309 3.651 3.960 0.000 0.000 0.253 46 G C 1.032 175.936 174.900 0.007 0.000 0.979 46 G CA 0.296 45.399 45.100 0.004 0.000 0.641 46 G HN 0.674 nan 8.290 nan 0.000 0.530 47 A N -1.225 121.595 122.820 -0.000 0.000 2.072 47 A HA 0.494 4.814 4.320 0.000 0.000 0.216 47 A C 1.283 178.876 177.584 0.015 0.000 1.156 47 A CA 1.782 53.824 52.037 0.008 0.000 0.701 47 A CB 0.074 19.077 19.000 0.006 0.000 0.816 47 A HN 0.495 nan 8.150 nan 0.000 0.458 48 Q N -0.935 118.877 119.800 0.020 0.000 2.501 48 Q HA 0.418 4.759 4.340 0.000 0.000 0.288 48 Q C -3.015 173.005 176.000 0.034 0.000 1.051 48 Q CA -2.013 53.805 55.803 0.026 0.000 0.788 48 Q CB 0.897 29.653 28.738 0.030 0.000 1.469 48 Q HN 0.040 nan 8.270 nan 0.000 0.416 49 P HA 0.064 nan 4.420 nan 0.000 0.271 49 P C -0.245 177.092 177.300 0.062 0.000 1.216 49 P CA 0.038 63.158 63.100 0.033 0.000 0.776 49 P CB 0.255 31.971 31.700 0.027 0.000 0.881 50 T N -0.262 114.332 114.554 0.067 0.000 2.813 50 T HA 0.601 4.952 4.350 0.000 0.000 0.297 50 T C 0.050 174.852 174.700 0.170 0.000 1.036 50 T CA -0.456 61.741 62.100 0.161 0.000 1.044 50 T CB 0.645 69.549 68.868 0.059 0.000 0.993 50 T HN 0.588 nan 8.240 nan 0.000 0.535 51 A N 1.324 124.346 122.820 0.337 0.000 2.602 51 A HA 0.766 5.086 4.320 0.000 0.000 0.290 51 A C -3.053 174.801 177.584 0.449 0.000 1.114 51 A CA -1.956 50.246 52.037 0.275 0.000 0.683 51 A CB 0.560 19.666 19.000 0.176 0.000 1.281 51 A HN 0.670 nan 8.150 nan 0.000 0.416 52 P HA 0.128 nan 4.420 nan 0.000 0.264 52 P C 1.257 178.699 177.300 0.238 0.000 1.183 52 P CA 0.978 64.290 63.100 0.353 0.000 0.763 52 P CB 0.477 32.309 31.700 0.221 0.000 0.807 53 G N 3.048 111.950 108.800 0.169 0.000 2.556 53 G HA2 -0.352 3.608 3.960 0.000 0.000 0.220 53 G HA3 -0.352 3.608 3.960 0.000 0.000 0.220 53 G C 1.592 176.500 174.900 0.014 0.000 1.156 53 G CA 1.341 46.447 45.100 0.011 0.000 0.766 53 G HN 0.602 nan 8.290 nan 0.000 0.583 54 S N -0.015 115.700 115.700 0.024 0.000 2.481 54 S HA 0.143 4.613 4.470 0.000 0.000 0.231 54 S C 2.234 176.850 174.600 0.027 0.000 0.996 54 S CA 0.943 59.146 58.200 0.004 0.000 0.942 54 S CB -0.164 63.032 63.200 -0.006 0.000 0.768 54 S HN 0.334 nan 8.310 nan 0.000 0.520 55 L N -0.103 121.153 121.223 0.055 0.000 2.298 55 L HA 0.264 4.605 4.340 0.000 0.000 0.209 55 L C 2.655 179.556 176.870 0.052 0.000 1.084 55 L CA 0.756 55.628 54.840 0.054 0.000 0.816 55 L CB -0.298 41.801 42.059 0.068 0.000 0.967 55 L HN 0.239 nan 8.230 nan 0.000 0.460 56 K N 1.443 121.883 120.400 0.067 0.000 2.062 56 K HA 0.045 4.365 4.320 0.000 0.000 0.205 56 K C 0.644 177.271 176.600 0.044 0.000 1.051 56 K CA 1.256 57.582 56.287 0.065 0.000 0.941 56 K CB 0.138 32.691 32.500 0.088 0.000 0.719 56 K HN 0.136 nan 8.250 nan 0.000 0.440 57 A N 0.860 123.697 122.820 0.028 0.000 3.127 57 A HA 0.356 4.676 4.320 0.000 0.000 0.319 57 A C -2.247 175.340 177.584 0.004 0.000 1.104 57 A CA -1.033 51.018 52.037 0.024 0.000 0.802 57 A CB 0.762 19.779 19.000 0.030 0.000 1.193 57 A HN 0.145 nan 8.150 nan 0.000 0.479 58 P HA -0.089 nan 4.420 nan 0.000 0.223 58 P C 0.068 177.360 177.300 -0.013 0.000 1.151 58 P CA 1.154 64.251 63.100 -0.004 0.000 0.787 58 P CB 0.331 32.034 31.700 0.004 0.000 0.788 59 D N -0.934 119.463 120.400 -0.005 0.000 2.363 59 D HA 0.041 4.682 4.640 0.000 0.000 0.214 59 D C 0.104 176.394 176.300 -0.017 0.000 1.093 59 D CA 0.389 54.383 54.000 -0.010 0.000 0.837 59 D CB -0.060 40.741 40.800 0.001 0.000 0.948 59 D HN 0.093 nan 8.370 nan 0.000 0.507 60 T N 1.779 116.320 114.554 -0.023 0.000 2.739 60 T HA 0.355 4.706 4.350 0.000 0.000 0.298 60 T C 0.464 175.122 174.700 -0.070 0.000 0.929 60 T CA -0.179 61.896 62.100 -0.042 0.000 1.014 60 T CB 1.002 69.841 68.868 -0.049 0.000 0.914 60 T HN -0.080 nan 8.240 nan 0.000 0.509 61 R N 2.757 123.212 120.500 -0.076 0.000 2.888 61 R HA 0.717 5.057 4.340 0.000 0.000 0.266 61 R C -0.526 175.717 176.300 -0.094 0.000 1.020 61 R CA -0.998 55.049 56.100 -0.088 0.000 0.963 61 R CB 1.459 31.715 30.300 -0.073 0.000 1.197 61 R HN 0.759 nan 8.270 nan 0.000 0.481 62 N N -1.828 116.817 118.700 -0.091 0.000 3.046 62 N HA 0.009 4.749 4.740 0.000 0.000 0.243 62 N C -0.109 175.356 175.510 -0.075 0.000 1.452 62 N CA -0.904 52.104 53.050 -0.070 0.000 0.882 62 N CB 0.794 39.270 38.487 -0.019 0.000 1.425 62 N HN 0.622 nan 8.380 nan 0.000 0.517 63 E N 0.001 120.171 120.200 -0.051 0.000 2.085 63 E HA -0.300 4.050 4.350 0.000 0.000 0.194 63 E C 1.110 177.640 176.600 -0.118 0.000 0.994 63 E CA 1.645 58.010 56.400 -0.060 0.000 0.801 63 E CB 0.062 29.752 29.700 -0.016 0.000 0.743 63 E HN 0.512 nan 8.360 nan 0.000 0.453 64 K N 0.692 120.987 120.400 -0.175 0.000 2.025 64 K HA -0.099 4.222 4.320 0.000 0.000 0.207 64 K C 2.132 178.569 176.600 -0.272 0.000 1.049 64 K CA 1.283 57.371 56.287 -0.331 0.000 0.933 64 K CB -0.466 31.665 32.500 -0.616 0.000 0.714 64 K HN 0.193 nan 8.250 nan 0.000 0.438 65 L N 0.920 121.997 121.223 -0.244 0.000 2.042 65 L HA -0.233 4.107 4.340 0.000 0.000 0.210 65 L C 1.924 178.679 176.870 -0.191 0.000 1.076 65 L CA 1.387 56.059 54.840 -0.280 0.000 0.749 65 L CB -0.633 41.254 42.059 -0.286 0.000 0.893 65 L HN 0.297 nan 8.230 nan 0.000 0.432 66 N N -0.285 118.330 118.700 -0.143 0.000 2.166 66 N HA -0.154 4.586 4.740 0.000 0.000 0.186 66 N C 2.020 177.470 175.510 -0.099 0.000 1.019 66 N CA 1.680 54.668 53.050 -0.104 0.000 0.856 66 N CB -0.437 38.002 38.487 -0.079 0.000 0.993 66 N HN 0.380 nan 8.380 nan 0.000 0.426 67 S N 0.345 115.976 115.700 -0.115 0.000 2.481 67 S HA 0.054 4.524 4.470 0.000 0.000 0.231 67 S C 1.805 176.343 174.600 -0.104 0.000 0.996 67 S CA 0.314 58.454 58.200 -0.100 0.000 0.942 67 S CB -0.418 62.719 63.200 -0.104 0.000 0.768 67 S HN 0.233 nan 8.310 nan 0.000 0.520 68 L N 0.689 121.836 121.223 -0.126 0.000 2.554 68 L HA 0.196 4.537 4.340 0.000 0.000 0.226 68 L C 2.598 179.419 176.870 -0.081 0.000 1.137 68 L CA 0.556 55.328 54.840 -0.113 0.000 0.863 68 L CB -0.349 41.624 42.059 -0.144 0.000 0.985 68 L HN 0.282 nan 8.230 nan 0.000 0.451 69 E N 1.034 121.188 120.200 -0.075 0.000 2.209 69 E HA -0.254 4.096 4.350 0.000 0.000 0.196 69 E C 1.679 178.256 176.600 -0.038 0.000 0.993 69 E CA 1.451 57.820 56.400 -0.052 0.000 0.819 69 E CB -0.037 29.634 29.700 -0.047 0.000 0.745 69 E HN 0.560 nan 8.360 nan 0.000 0.477 70 D N -0.516 119.860 120.400 -0.039 0.000 2.263 70 D HA -0.145 4.496 4.640 0.000 0.000 0.208 70 D C 1.639 177.923 176.300 -0.026 0.000 0.971 70 D CA 1.530 55.512 54.000 -0.030 0.000 0.867 70 D CB -0.344 40.438 40.800 -0.030 0.000 0.929 70 D HN 0.308 nan 8.370 nan 0.000 0.492 71 V N -3.368 116.528 119.914 -0.030 0.000 3.578 71 V HA 0.318 4.438 4.120 0.000 0.000 0.290 71 V C 0.842 176.926 176.094 -0.017 0.000 1.376 71 V CA -0.664 61.624 62.300 -0.021 0.000 1.083 71 V CB -0.569 31.242 31.823 -0.021 0.000 0.911 71 V HN -0.161 nan 8.190 nan 0.000 0.433 72 R N 2.134 122.621 120.500 -0.021 0.000 2.442 72 R HA 0.413 4.754 4.340 0.000 0.000 0.291 72 R C -0.099 176.194 176.300 -0.010 0.000 1.069 72 R CA 0.060 56.154 56.100 -0.010 0.000 1.022 72 R CB 0.739 31.033 30.300 -0.010 0.000 0.976 72 R HN 0.363 nan 8.270 nan 0.000 0.443 73 K N 1.427 121.824 120.400 -0.006 0.000 2.292 73 K HA 0.334 4.654 4.320 0.000 0.000 0.257 73 K C -0.036 176.564 176.600 -0.001 0.000 0.940 73 K CA -0.469 55.801 56.287 -0.029 0.000 0.811 73 K CB 1.822 34.291 32.500 -0.051 0.000 1.120 73 K HN 0.727 nan 8.250 nan 0.000 0.428 74 G N 0.497 109.304 108.800 0.012 0.000 2.531 74 G HA2 0.240 4.200 3.960 0.000 0.000 0.253 74 G HA3 0.240 4.200 3.960 0.000 0.000 0.253 74 G C 0.354 175.317 174.900 0.105 0.000 1.439 74 G CA 0.316 45.471 45.100 0.093 0.000 1.056 74 G HN 0.717 nan 8.290 nan 0.000 0.555 75 S N -2.574 113.266 115.700 0.232 0.000 2.842 75 S HA 0.090 4.560 4.470 0.000 0.000 0.240 75 S C 0.194 174.970 174.600 0.293 0.000 0.987 75 S CA -0.126 58.221 58.200 0.246 0.000 1.166 75 S CB -0.024 63.252 63.200 0.126 0.000 0.942 75 S HN 0.528 nan 8.310 nan 0.000 0.403 76 E N 3.185 123.491 120.200 0.177 0.000 2.452 76 E HA 0.264 4.614 4.350 0.000 0.000 0.261 76 E C -0.171 176.405 176.600 -0.039 0.000 0.987 76 E CA 0.347 56.791 56.400 0.074 0.000 0.926 76 E CB -0.011 29.716 29.700 0.045 0.000 0.934 76 E HN 0.386 nan 8.360 nan 0.000 0.452 77 N N 0.260 118.921 118.700 -0.065 0.000 2.909 77 N HA -0.205 4.535 4.740 0.000 0.000 0.242 77 N C -1.096 174.270 175.510 -0.241 0.000 0.975 77 N CA 1.176 54.125 53.050 -0.168 0.000 0.921 77 N CB -1.282 37.058 38.487 -0.245 0.000 1.112 77 N HN 0.403 nan 8.380 nan 0.000 0.581 78 Y N 0.506 120.813 120.300 0.011 0.000 2.453 78 Y HA 0.656 5.207 4.550 0.000 0.000 0.326 78 Y C 0.924 176.828 175.900 0.007 0.000 1.186 78 Y CA -0.383 57.722 58.100 0.009 0.000 1.200 78 Y CB 0.993 39.459 38.460 0.010 0.000 1.247 78 Y HN 0.100 nan 8.280 nan 0.000 0.482 79 A N 1.918 124.861 122.820 0.206 0.000 2.316 79 A HA 0.476 4.796 4.320 0.000 0.000 0.284 79 A C -0.995 176.642 177.584 0.088 0.000 1.115 79 A CA -0.588 51.513 52.037 0.108 0.000 0.812 79 A CB 0.234 19.283 19.000 0.082 0.000 1.064 79 A HN 0.697 nan 8.150 nan 0.000 0.489 80 L N 2.880 124.134 121.223 0.052 0.000 2.418 80 L HA 0.487 4.827 4.340 0.000 0.000 0.274 80 L C 0.637 177.519 176.870 0.019 0.000 1.135 80 L CA 1.018 55.875 54.840 0.028 0.000 0.870 80 L CB 0.227 42.293 42.059 0.013 0.000 1.154 80 L HN 0.888 nan 8.230 nan 0.000 0.462 81 T N 0.467 115.028 114.554 0.011 0.000 2.888 81 T HA 0.686 5.036 4.350 0.000 0.000 0.288 81 T C 0.260 174.965 174.700 0.009 0.000 1.063 81 T CA -0.178 61.931 62.100 0.015 0.000 1.010 81 T CB 1.059 69.939 68.868 0.019 0.000 1.214 81 T HN 0.760 nan 8.240 nan 0.000 0.533 82 T N 0.173 114.747 114.554 0.033 0.000 2.726 82 T HA 0.231 4.581 4.350 0.000 0.000 0.294 82 T C 1.058 175.777 174.700 0.032 0.000 1.013 82 T CA -0.579 61.549 62.100 0.047 0.000 0.996 82 T CB -0.038 68.902 68.868 0.120 0.000 1.016 82 T HN 0.558 nan 8.240 nan 0.000 0.529 83 N N 0.448 119.168 118.700 0.033 0.000 2.453 83 N HA -0.068 4.673 4.740 0.000 0.000 0.183 83 N C 1.551 177.081 175.510 0.033 0.000 1.041 83 N CA 0.592 53.654 53.050 0.020 0.000 0.900 83 N CB -0.171 38.336 38.487 0.033 0.000 0.961 83 N HN 0.558 nan 8.380 nan 0.000 0.443 84 Q N -0.508 119.324 119.800 0.053 0.000 2.360 84 Q HA 0.187 4.527 4.340 0.000 0.000 0.202 84 Q C 0.779 176.802 176.000 0.039 0.000 0.915 84 Q CA 0.187 56.017 55.803 0.044 0.000 0.943 84 Q CB 0.427 29.196 28.738 0.051 0.000 1.064 84 Q HN 0.405 nan 8.270 nan 0.000 0.511 85 G N 0.382 109.204 108.800 0.037 0.000 2.141 85 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 85 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 85 G C 0.084 175.011 174.900 0.046 0.000 0.982 85 G CA 0.110 45.227 45.100 0.029 0.000 0.662 85 G HN 0.225 nan 8.290 nan 0.000 0.527 86 V N 1.786 121.743 119.914 0.072 0.000 2.432 86 V HA 0.385 4.505 4.120 0.000 0.000 0.275 86 V C 1.273 177.408 176.094 0.069 0.000 1.043 86 V CA -0.627 61.728 62.300 0.091 0.000 0.925 86 V CB 1.158 33.080 31.823 0.166 0.000 0.985 86 V HN 0.400 nan 8.190 nan 0.000 0.466 87 R N 4.450 124.984 120.500 0.055 0.000 2.537 87 R HA 0.361 4.701 4.340 0.000 0.000 0.280 87 R C -0.546 175.769 176.300 0.024 0.000 1.058 87 R CA -0.093 56.030 56.100 0.038 0.000 1.057 87 R CB 0.530 30.852 30.300 0.036 0.000 0.973 87 R HN 0.566 nan 8.270 nan 0.000 0.438 88 I N 2.018 122.591 120.570 0.005 0.000 2.353 88 I HA 0.111 4.281 4.170 0.000 0.000 0.293 88 I C 1.025 177.132 176.117 -0.017 0.000 0.992 88 I CA 0.027 61.314 61.300 -0.021 0.000 1.268 88 I CB 1.850 39.828 38.000 -0.037 0.000 1.387 88 I HN 0.771 nan 8.210 nan 0.000 0.478 89 A N 4.065 126.870 122.820 -0.024 0.000 1.911 89 A HA 0.002 4.323 4.320 0.000 0.000 0.212 89 A C 0.691 178.260 177.584 -0.025 0.000 1.189 89 A CA 0.968 52.994 52.037 -0.018 0.000 0.639 89 A CB 0.048 19.039 19.000 -0.014 0.000 0.839 89 A HN 0.690 nan 8.150 nan 0.000 0.449 90 D N -0.587 119.790 120.400 -0.039 0.000 2.421 90 D HA 0.302 4.943 4.640 0.000 0.000 0.254 90 D C -1.305 174.964 176.300 -0.051 0.000 1.238 90 D CA -0.387 53.590 54.000 -0.040 0.000 0.919 90 D CB 1.094 41.870 40.800 -0.039 0.000 1.152 90 D HN 0.051 nan 8.370 nan 0.000 0.552 91 D N 2.002 122.376 120.400 -0.044 0.000 2.370 91 D HA 0.040 4.680 4.640 0.000 0.000 0.230 91 D C 0.662 176.932 176.300 -0.050 0.000 1.143 91 D CA 0.324 54.294 54.000 -0.050 0.000 0.834 91 D CB 0.492 41.267 40.800 -0.041 0.000 0.944 91 D HN 0.230 nan 8.370 nan 0.000 0.504 92 Q N -0.664 119.108 119.800 -0.047 0.000 2.280 92 Q HA 0.261 4.601 4.340 0.000 0.000 0.228 92 Q C -0.144 175.828 176.000 -0.047 0.000 0.857 92 Q CA 0.210 55.986 55.803 -0.045 0.000 0.939 92 Q CB 0.762 29.478 28.738 -0.037 0.000 1.114 92 Q HN 0.189 nan 8.270 nan 0.000 0.514 93 N N -0.064 118.606 118.700 -0.050 0.000 2.242 93 N HA 0.319 5.060 4.740 0.000 0.000 0.292 93 N C -0.950 174.526 175.510 -0.056 0.000 1.125 93 N CA -0.251 52.770 53.050 -0.048 0.000 0.783 93 N CB 2.116 40.578 38.487 -0.040 0.000 1.558 93 N HN -0.184 nan 8.380 nan 0.000 0.472 94 S N 0.685 116.355 115.700 -0.051 0.000 2.603 94 S HA 0.282 4.752 4.470 0.000 0.000 0.268 94 S C 0.141 174.714 174.600 -0.045 0.000 1.317 94 S CA -0.548 57.621 58.200 -0.051 0.000 1.012 94 S CB 0.690 63.867 63.200 -0.040 0.000 0.926 94 S HN 0.395 nan 8.310 nan 0.000 0.539 95 L N 3.314 124.509 121.223 -0.045 0.000 2.319 95 L HA 0.427 4.768 4.340 0.000 0.000 0.280 95 L C 0.019 176.879 176.870 -0.017 0.000 1.099 95 L CA 0.311 55.132 54.840 -0.031 0.000 0.828 95 L CB -0.055 41.986 42.059 -0.030 0.000 1.150 95 L HN 0.705 nan 8.230 nan 0.000 0.442 96 R N 4.252 124.744 120.500 -0.013 0.000 2.808 96 R HA 0.856 5.196 4.340 0.000 0.000 0.272 96 R C -1.107 175.191 176.300 -0.003 0.000 0.995 96 R CA -0.873 55.223 56.100 -0.007 0.000 0.917 96 R CB 1.167 31.461 30.300 -0.010 0.000 1.217 96 R HN 0.597 nan 8.270 nan 0.000 0.471 97 A N 1.409 124.229 122.820 -0.000 0.000 2.539 97 A HA 0.579 4.899 4.320 0.000 0.000 0.306 97 A C 0.633 178.217 177.584 -0.001 0.000 1.392 97 A CA 0.373 52.411 52.037 0.001 0.000 1.060 97 A CB -0.879 18.123 19.000 0.004 0.000 1.134 97 A HN 1.212 nan 8.150 nan 0.000 0.542 98 G N 1.307 110.106 108.800 -0.002 0.000 2.692 98 G HA2 0.039 3.999 3.960 0.000 0.000 0.686 98 G HA3 0.039 3.999 3.960 0.000 0.000 0.686 98 G C 0.636 175.533 174.900 -0.006 0.000 1.243 98 G CA 0.106 45.204 45.100 -0.003 0.000 0.782 98 G HN 1.860 nan 8.290 nan 0.000 0.625 99 S N -0.387 115.309 115.700 -0.007 0.000 2.555 99 S HA 0.044 4.515 4.470 0.000 0.000 0.230 99 S C 1.464 176.058 174.600 -0.010 0.000 0.978 99 S CA 1.292 59.486 58.200 -0.010 0.000 0.934 99 S CB 0.099 63.293 63.200 -0.010 0.000 0.766 99 S HN 0.746 nan 8.310 nan 0.000 0.533 100 R N 0.764 121.259 120.500 -0.008 0.000 2.629 100 R HA 0.347 4.687 4.340 0.000 0.000 0.386 100 R C 0.829 177.125 176.300 -0.007 0.000 1.071 100 R CA -0.014 56.081 56.100 -0.008 0.000 1.104 100 R CB 0.874 31.170 30.300 -0.007 0.000 1.370 100 R HN 0.419 nan 8.270 nan 0.000 0.574 101 G N 1.616 110.413 108.800 -0.006 0.000 2.557 101 G HA2 0.395 4.355 3.960 0.000 0.000 0.302 101 G HA3 0.395 4.355 3.960 0.000 0.000 0.302 101 G C -2.421 172.476 174.900 -0.004 0.000 1.311 101 G CA -1.170 43.927 45.100 -0.004 0.000 1.030 101 G HN -0.108 nan 8.290 nan 0.000 0.509 102 P HA 0.216 nan 4.420 nan 0.000 0.275 102 P C -0.103 177.196 177.300 -0.001 0.000 1.227 102 P CA -0.081 63.018 63.100 -0.001 0.000 0.781 102 P CB 0.741 32.442 31.700 0.002 0.000 0.906 103 T N 3.409 117.962 114.554 -0.003 0.000 2.916 103 T HA 0.188 4.538 4.350 0.000 0.000 0.303 103 T C 0.570 175.273 174.700 0.004 0.000 1.025 103 T CA -0.030 62.069 62.100 -0.003 0.000 1.142 103 T CB -0.079 68.785 68.868 -0.007 0.000 0.947 103 T HN 0.189 nan 8.240 nan 0.000 0.544 104 L N 3.773 125.000 121.223 0.007 0.000 2.350 104 L HA 0.270 4.611 4.340 0.000 0.000 0.275 104 L C 1.442 178.328 176.870 0.026 0.000 1.099 104 L CA -0.759 54.091 54.840 0.017 0.000 0.808 104 L CB 0.780 42.850 42.059 0.019 0.000 1.149 104 L HN 0.519 nan 8.230 nan 0.000 0.442 105 L N 2.447 123.690 121.223 0.033 0.000 2.191 105 L HA -0.179 4.161 4.340 0.000 0.000 0.212 105 L C 2.312 179.222 176.870 0.066 0.000 1.103 105 L CA 1.592 56.458 54.840 0.043 0.000 0.769 105 L CB -0.586 41.496 42.059 0.039 0.000 0.908 105 L HN 0.790 nan 8.230 nan 0.000 0.438 106 E N -1.528 118.714 120.200 0.071 0.000 2.516 106 E HA -0.173 4.177 4.350 0.000 0.000 0.199 106 E C 0.238 176.935 176.600 0.162 0.000 1.069 106 E CA 0.225 56.694 56.400 0.116 0.000 0.876 106 E CB -0.465 29.294 29.700 0.099 0.000 0.843 106 E HN 0.361 nan 8.360 nan 0.000 0.530 107 D N 1.175 121.624 120.400 0.082 0.000 2.441 107 D HA -0.054 4.587 4.640 0.000 0.000 0.243 107 D C 0.454 176.770 176.300 0.028 0.000 1.257 107 D CA -0.428 53.575 54.000 0.006 0.000 1.027 107 D CB -0.093 40.682 40.800 -0.040 0.000 1.084 107 D HN 0.295 nan 8.370 nan 0.000 0.514 108 F N 2.326 122.285 119.950 0.014 0.000 2.367 108 F HA 0.089 4.616 4.527 0.000 0.000 0.298 108 F C 1.674 177.486 175.800 0.021 0.000 1.094 108 F CA 0.090 58.102 58.000 0.019 0.000 1.409 108 F CB -0.660 38.351 39.000 0.018 0.000 1.064 108 F HN 0.194 nan 8.300 nan 0.000 0.528 109 I N 0.499 120.684 120.570 -0.641 0.000 2.202 109 I HA -0.223 3.947 4.170 0.000 0.000 0.242 109 I C 2.515 178.539 176.117 -0.156 0.000 1.091 109 I CA 1.208 62.264 61.300 -0.407 0.000 1.368 109 I CB -0.541 37.151 38.000 -0.512 0.000 1.058 109 I HN 0.285 nan 8.210 nan 0.000 0.410 110 L N 1.137 122.275 121.223 -0.143 0.000 1.989 110 L HA -0.218 4.123 4.340 0.000 0.000 0.211 110 L C 2.658 179.523 176.870 -0.008 0.000 1.071 110 L CA 1.884 56.684 54.840 -0.067 0.000 0.749 110 L CB -0.594 41.431 42.059 -0.057 0.000 0.890 110 L HN 0.050 nan 8.230 nan 0.000 0.431 111 R N -0.563 119.950 120.500 0.023 0.000 2.091 111 R HA -0.197 4.143 4.340 0.000 0.000 0.238 111 R C 2.355 178.712 176.300 0.095 0.000 1.136 111 R CA 1.706 57.847 56.100 0.068 0.000 0.959 111 R CB -0.472 29.882 30.300 0.090 0.000 0.856 111 R HN 0.587 nan 8.270 nan 0.000 0.437 112 E N 1.070 121.333 120.200 0.106 0.000 2.058 112 E HA -0.252 4.098 4.350 0.000 0.000 0.194 112 E C 1.965 178.645 176.600 0.132 0.000 0.997 112 E CA 1.321 57.799 56.400 0.130 0.000 0.801 112 E CB 0.068 29.850 29.700 0.138 0.000 0.746 112 E HN 0.161 nan 8.360 nan 0.000 0.450 113 K N 0.250 120.698 120.400 0.081 0.000 2.063 113 K HA -0.157 4.163 4.320 0.000 0.000 0.208 113 K C 2.108 178.781 176.600 0.123 0.000 1.048 113 K CA 1.401 57.735 56.287 0.078 0.000 0.928 113 K CB -0.034 32.471 32.500 0.008 0.000 0.713 113 K HN 0.154 nan 8.250 nan 0.000 0.442 114 I N 1.160 121.784 120.570 0.090 0.000 2.353 114 I HA -0.166 4.004 4.170 0.000 0.000 0.248 114 I C 2.134 178.358 176.117 0.179 0.000 1.119 114 I CA 1.239 62.610 61.300 0.119 0.000 1.417 114 I CB -1.476 36.557 38.000 0.056 0.000 1.078 114 I HN 0.209 nan 8.210 nan 0.000 0.421 115 T N -0.126 114.526 114.554 0.164 0.000 2.684 115 T HA -0.230 4.120 4.350 0.000 0.000 0.267 115 T C 1.964 176.795 174.700 0.219 0.000 1.036 115 T CA 1.501 63.717 62.100 0.194 0.000 1.148 115 T CB -0.454 68.536 68.868 0.204 0.000 0.863 115 T HN 0.347 nan 8.240 nan 0.000 0.436 116 H N -0.072 119.092 119.070 0.155 0.000 2.353 116 H HA -0.075 4.481 4.556 0.000 0.000 0.300 116 H C 2.204 177.590 175.328 0.097 0.000 1.090 116 H CA 1.613 57.738 56.048 0.128 0.000 1.327 116 H CB -0.446 29.373 29.762 0.094 0.000 1.383 116 H HN 0.390 nan 8.280 nan 0.000 0.508 117 F N 2.107 122.115 119.950 0.097 0.000 2.095 117 F HA -0.202 4.326 4.527 0.000 0.000 0.298 117 F C 1.961 177.703 175.800 -0.097 0.000 1.104 117 F CA 1.786 59.791 58.000 0.008 0.000 1.232 117 F CB -0.355 38.645 39.000 0.000 0.000 0.987 117 F HN 0.072 nan 8.300 nan 0.000 0.475 118 D N -1.195 119.124 120.400 -0.135 0.000 2.309 118 D HA -0.138 4.502 4.640 0.000 0.000 0.212 118 D C 1.160 177.041 176.300 -0.698 0.000 0.968 118 D CA 1.187 54.938 54.000 -0.415 0.000 0.882 118 D CB -0.375 40.165 40.800 -0.433 0.000 0.918 118 D HN 0.498 nan 8.370 nan 0.000 0.503 119 H N -0.366 118.584 119.070 -0.200 0.000 2.475 119 H HA 0.228 4.785 4.556 0.000 0.000 0.276 119 H C 0.932 176.091 175.328 -0.281 0.000 1.126 119 H CA -0.092 55.830 56.048 -0.210 0.000 1.023 119 H CB 0.465 30.123 29.762 -0.173 0.000 1.669 119 H HN 0.269 nan 8.280 nan 0.000 0.573 120 E N 0.656 120.683 120.200 -0.288 0.000 2.150 120 E HA -0.045 4.305 4.350 0.000 0.000 0.193 120 E C 0.529 176.974 176.600 -0.257 0.000 0.985 120 E CA 0.531 56.743 56.400 -0.315 0.000 0.814 120 E CB 0.436 29.933 29.700 -0.339 0.000 0.752 120 E HN 0.140 nan 8.360 nan 0.000 0.466 121 R N 1.265 121.669 120.500 -0.159 0.000 2.410 121 R HA 0.348 4.689 4.340 0.000 0.000 0.288 121 R C 0.409 176.739 176.300 0.050 0.000 1.051 121 R CA -0.249 55.830 56.100 -0.036 0.000 1.021 121 R CB 0.594 30.865 30.300 -0.049 0.000 1.032 121 R HN 0.171 nan 8.270 nan 0.000 0.481 122 I N -0.922 119.738 120.570 0.151 0.000 2.846 122 I HA 0.571 4.742 4.170 0.000 0.000 0.307 122 I C -2.216 173.959 176.117 0.097 0.000 1.053 122 I CA -2.939 58.442 61.300 0.135 0.000 1.050 122 I CB 1.884 39.999 38.000 0.191 0.000 1.239 122 I HN 0.255 nan 8.210 nan 0.000 0.439 123 P HA 0.071 nan 4.420 nan 0.000 0.265 123 P C -0.821 176.507 177.300 0.048 0.000 1.193 123 P CA 0.039 63.165 63.100 0.042 0.000 0.765 123 P CB 0.371 32.085 31.700 0.024 0.000 0.823 124 E N 2.693 122.924 120.200 0.051 0.000 2.369 124 E HA 0.227 4.577 4.350 0.000 0.000 0.255 124 E C -0.408 176.219 176.600 0.044 0.000 1.172 124 E CA -0.909 55.527 56.400 0.059 0.000 0.932 124 E CB 0.597 30.338 29.700 0.069 0.000 1.040 124 E HN 0.252 nan 8.360 nan 0.000 0.454 125 R N 0.530 121.063 120.500 0.054 0.000 2.640 125 R HA -0.004 4.336 4.340 0.000 0.000 0.270 125 R C 1.329 177.663 176.300 0.058 0.000 1.024 125 R CA -0.391 55.739 56.100 0.049 0.000 1.085 125 R CB 0.252 30.599 30.300 0.078 0.000 0.963 125 R HN 0.560 nan 8.270 nan 0.000 0.426 126 I N 1.749 122.347 120.570 0.048 0.000 2.163 126 I HA -0.146 4.024 4.170 0.000 0.000 0.243 126 I C 1.209 177.383 176.117 0.095 0.000 1.085 126 I CA 1.590 62.928 61.300 0.064 0.000 1.347 126 I CB -1.042 36.998 38.000 0.068 0.000 1.044 126 I HN 0.388 nan 8.210 nan 0.000 0.408 127 V N -2.910 117.096 119.914 0.154 0.000 2.914 127 V HA 0.519 4.640 4.120 0.000 0.000 0.314 127 V C 0.302 176.582 176.094 0.310 0.000 1.084 127 V CA -0.816 61.611 62.300 0.212 0.000 0.963 127 V CB 1.758 33.794 31.823 0.356 0.000 1.025 127 V HN 0.477 nan 8.190 nan 0.000 0.432 128 H N 0.701 119.832 119.070 0.102 0.000 2.903 128 H HA -0.202 4.354 4.556 0.000 0.000 0.285 128 H C 1.477 176.850 175.328 0.075 0.000 1.231 128 H CA 0.698 56.799 56.048 0.089 0.000 1.135 128 H CB -1.266 28.537 29.762 0.070 0.000 1.328 128 H HN 1.150 nan 8.280 nan 0.000 0.388 129 A N 0.804 123.714 122.820 0.151 0.000 1.969 129 A HA -0.095 4.225 4.320 0.000 0.000 0.218 129 A C 1.695 179.366 177.584 0.146 0.000 1.169 129 A CA 1.269 53.383 52.037 0.128 0.000 0.635 129 A CB -0.073 18.983 19.000 0.092 0.000 0.810 129 A HN 0.265 nan 8.150 nan 0.000 0.445 130 R N 0.319 120.904 120.500 0.142 0.000 2.196 130 R HA 0.503 4.843 4.340 0.000 0.000 0.340 130 R C -0.123 176.298 176.300 0.201 0.000 1.043 130 R CA 0.726 56.927 56.100 0.168 0.000 0.883 130 R CB 0.113 30.496 30.300 0.139 0.000 1.078 130 R HN 0.318 nan 8.270 nan 0.000 0.462 131 G N 0.890 109.834 108.800 0.240 0.000 2.698 131 G HA2 0.510 4.470 3.960 0.000 0.000 0.293 131 G HA3 0.510 4.470 3.960 0.000 0.000 0.293 131 G C -1.611 173.448 174.900 0.266 0.000 1.437 131 G CA -0.616 44.597 45.100 0.188 0.000 0.852 131 G HN 0.479 nan 8.290 nan 0.000 0.499 132 S N -0.923 114.883 115.700 0.177 0.000 2.557 132 S HA 0.869 5.340 4.470 0.000 0.000 0.291 132 S C -0.157 174.454 174.600 0.019 0.000 1.116 132 S CA -0.226 58.132 58.200 0.264 0.000 0.992 132 S CB 1.704 65.174 63.200 0.450 0.000 1.028 132 S HN 1.511 nan 8.310 nan 0.000 0.484 133 A N 1.732 124.526 122.820 -0.044 0.000 2.469 133 A HA 1.025 5.346 4.320 0.000 0.000 0.299 133 A C -0.818 176.578 177.584 -0.313 0.000 1.098 133 A CA -0.761 51.034 52.037 -0.403 0.000 0.737 133 A CB 1.621 20.228 19.000 -0.656 0.000 1.312 133 A HN 1.289 nan 8.150 nan 0.000 0.414 134 A N 0.667 123.160 122.820 -0.545 0.000 2.606 134 A HA 0.737 5.057 4.320 0.000 0.000 0.293 134 A C -1.105 176.304 177.584 -0.290 0.000 1.082 134 A CA -0.635 51.245 52.037 -0.263 0.000 0.685 134 A CB 0.826 19.749 19.000 -0.129 0.000 1.284 134 A HN 0.880 nan 8.150 nan 0.000 0.408 135 H N -0.379 118.714 119.070 0.039 0.000 2.482 135 H HA 0.690 5.247 4.556 0.000 0.000 0.344 135 H C 0.599 175.920 175.328 -0.011 0.000 1.151 135 H CA 0.858 56.983 56.048 0.128 0.000 1.300 135 H CB 1.889 31.720 29.762 0.115 0.000 1.494 135 H HN 1.128 nan 8.280 nan 0.000 0.542 136 G N 0.744 109.635 108.800 0.151 0.000 2.588 136 G HA2 0.362 4.322 3.960 0.000 0.000 0.281 136 G HA3 0.362 4.322 3.960 0.000 0.000 0.281 136 G C -1.992 173.032 174.900 0.208 0.000 1.223 136 G CA -0.597 44.549 45.100 0.077 0.000 0.871 136 G HN 0.625 nan 8.290 nan 0.000 0.492 137 Y N -1.898 118.436 120.300 0.056 0.000 2.609 137 Y HA 0.827 5.377 4.550 0.000 0.000 0.336 137 Y C -1.767 174.270 175.900 0.228 0.000 1.129 137 Y CA -1.866 56.313 58.100 0.132 0.000 1.040 137 Y CB 1.818 40.334 38.460 0.094 0.000 1.310 137 Y HN 0.789 nan 8.280 nan 0.000 0.460 138 F N 1.762 121.874 119.950 0.269 0.000 2.577 138 F HA 0.739 5.266 4.527 0.000 0.000 0.318 138 F C -1.212 174.807 175.800 0.364 0.000 1.065 138 F CA -0.648 57.515 58.000 0.273 0.000 0.929 138 F CB 2.424 41.701 39.000 0.462 0.000 1.237 138 F HN 0.768 nan 8.300 nan 0.000 0.468 139 Q N 5.424 124.712 119.800 -0.854 0.000 2.320 139 Q HA 0.419 4.760 4.340 0.000 0.000 0.272 139 Q C -2.789 172.646 176.000 -0.942 0.000 1.023 139 Q CA -2.364 53.096 55.803 -0.571 0.000 0.855 139 Q CB 3.074 31.757 28.738 -0.093 0.000 1.367 139 Q HN 0.319 nan 8.270 nan 0.000 0.406 140 P HA 0.034 nan 4.420 nan 0.000 0.274 140 P C -0.557 176.682 177.300 -0.101 0.000 1.231 140 P CA 0.246 63.162 63.100 -0.307 0.000 0.790 140 P CB 0.456 32.116 31.700 -0.067 0.000 0.951 141 Y N 0.522 120.768 120.300 -0.091 0.000 2.475 141 Y HA 0.016 4.566 4.550 0.000 0.000 0.289 141 Y C 1.325 177.202 175.900 -0.039 0.000 1.121 141 Y CA 0.074 58.141 58.100 -0.055 0.000 1.257 141 Y CB 0.435 38.869 38.460 -0.044 0.000 1.026 141 Y HN 0.352 nan 8.280 nan 0.000 0.555 142 K N -0.939 119.528 120.400 0.112 0.000 2.625 142 K HA 0.268 4.588 4.320 0.000 0.000 0.284 142 K C -1.121 175.488 176.600 0.015 0.000 0.984 142 K CA -0.827 55.492 56.287 0.054 0.000 0.865 142 K CB 1.346 33.877 32.500 0.052 0.000 1.468 142 K HN -0.228 nan 8.250 nan 0.000 0.407 143 S N 1.442 117.147 115.700 0.008 0.000 2.537 143 S HA 0.168 4.639 4.470 0.000 0.000 0.286 143 S C 0.380 174.970 174.600 -0.017 0.000 1.299 143 S CA -0.563 57.632 58.200 -0.008 0.000 1.067 143 S CB -0.118 63.080 63.200 -0.003 0.000 0.864 143 S HN 0.545 nan 8.310 nan 0.000 0.494 144 L N 4.818 126.020 121.223 -0.036 0.000 2.928 144 L HA 0.151 4.492 4.340 0.000 0.000 0.246 144 L C 2.018 178.870 176.870 -0.030 0.000 1.239 144 L CA -0.029 54.795 54.840 -0.027 0.000 1.035 144 L CB -0.158 41.885 42.059 -0.027 0.000 1.360 144 L HN 0.867 nan 8.230 nan 0.000 0.529 145 S N -1.798 113.883 115.700 -0.031 0.000 2.469 145 S HA -0.174 4.296 4.470 0.000 0.000 0.238 145 S C 1.261 175.844 174.600 -0.030 0.000 0.998 145 S CA 1.031 59.211 58.200 -0.033 0.000 0.957 145 S CB -0.121 63.064 63.200 -0.025 0.000 0.764 145 S HN 0.391 nan 8.310 nan 0.000 0.514 146 D N 1.994 122.381 120.400 -0.021 0.000 2.219 146 D HA 0.028 4.669 4.640 0.000 0.000 0.205 146 D C 1.769 178.050 176.300 -0.031 0.000 0.970 146 D CA 1.382 55.369 54.000 -0.022 0.000 0.851 146 D CB -0.157 40.636 40.800 -0.012 0.000 0.943 146 D HN 0.816 nan 8.370 nan 0.000 0.488 147 I N -4.098 116.454 120.570 -0.030 0.000 4.323 147 I HA 0.233 4.403 4.170 0.000 0.000 0.328 147 I C 0.426 176.501 176.117 -0.071 0.000 1.310 147 I CA -0.067 61.207 61.300 -0.044 0.000 1.186 147 I CB 1.149 39.142 38.000 -0.012 0.000 1.130 147 I HN -0.258 nan 8.210 nan 0.000 0.411 148 T N 1.611 116.125 114.554 -0.067 0.000 3.041 148 T HA 0.305 4.656 4.350 0.000 0.000 0.321 148 T C -0.174 174.471 174.700 -0.091 0.000 1.184 148 T CA -0.715 61.327 62.100 -0.097 0.000 1.050 148 T CB 1.695 70.496 68.868 -0.112 0.000 1.159 148 T HN 0.425 nan 8.240 nan 0.000 0.469 149 K N 2.600 122.945 120.400 -0.091 0.000 2.437 149 K HA 0.580 4.900 4.320 0.000 0.000 0.198 149 K C 0.689 177.248 176.600 -0.067 0.000 1.024 149 K CA -0.354 55.891 56.287 -0.069 0.000 1.148 149 K CB 0.224 32.690 32.500 -0.056 0.000 0.860 149 K HN 0.489 nan 8.250 nan 0.000 0.515 150 A N 2.050 124.805 122.820 -0.108 0.000 2.515 150 A HA -0.042 4.278 4.320 0.000 0.000 0.263 150 A C 0.574 178.113 177.584 -0.075 0.000 1.096 150 A CA -0.005 51.973 52.037 -0.099 0.000 0.769 150 A CB 0.029 18.899 19.000 -0.216 0.000 1.040 150 A HN 0.477 nan 8.150 nan 0.000 0.505 151 D N 2.387 122.816 120.400 0.048 0.000 2.123 151 D HA -0.258 4.382 4.640 0.000 0.000 0.196 151 D C 1.362 177.734 176.300 0.120 0.000 0.992 151 D CA 2.359 56.407 54.000 0.080 0.000 0.833 151 D CB -0.248 40.622 40.800 0.116 0.000 0.954 151 D HN 0.754 nan 8.370 nan 0.000 0.455 152 F N -0.590 119.385 119.950 0.042 0.000 2.546 152 F HA 0.115 4.642 4.527 0.000 0.000 0.298 152 F C 1.075 176.965 175.800 0.150 0.000 1.120 152 F CA 0.483 58.549 58.000 0.109 0.000 1.456 152 F CB -0.227 38.838 39.000 0.109 0.000 1.088 152 F HN -0.028 nan 8.300 nan 0.000 0.572 153 L N 0.611 121.550 121.223 -0.473 0.000 2.808 153 L HA 0.175 4.515 4.340 0.000 0.000 0.246 153 L C 2.027 178.813 176.870 -0.141 0.000 1.153 153 L CA 0.411 55.035 54.840 -0.361 0.000 0.956 153 L CB -0.096 41.630 42.059 -0.555 0.000 1.270 153 L HN 0.312 nan 8.230 nan 0.000 0.528 154 S N -2.004 113.652 115.700 -0.073 0.000 2.527 154 S HA 0.013 4.483 4.470 0.000 0.000 0.222 154 S C 0.359 174.959 174.600 -0.001 0.000 0.985 154 S CA 0.067 58.249 58.200 -0.031 0.000 0.921 154 S CB 0.007 63.202 63.200 -0.008 0.000 0.772 154 S HN 0.414 nan 8.310 nan 0.000 0.529 155 D N 0.098 120.508 120.400 0.017 0.000 2.886 155 D HA 0.359 4.999 4.640 0.000 0.000 0.216 155 D C -2.692 173.629 176.300 0.035 0.000 1.256 155 D CA -1.734 52.282 54.000 0.027 0.000 0.844 155 D CB 1.803 42.624 40.800 0.036 0.000 1.669 155 D HN -0.206 nan 8.370 nan 0.000 0.513 156 P HA -0.010 nan 4.420 nan 0.000 0.222 156 P C 0.327 177.652 177.300 0.041 0.000 1.147 156 P CA 0.945 64.066 63.100 0.035 0.000 0.790 156 P CB 0.111 31.841 31.700 0.049 0.000 0.780 157 N N -0.801 117.924 118.700 0.043 0.000 2.398 157 N HA -0.016 4.724 4.740 0.000 0.000 0.188 157 N C 0.663 176.209 175.510 0.060 0.000 1.122 157 N CA -0.057 53.020 53.050 0.044 0.000 0.866 157 N CB -0.139 38.368 38.487 0.034 0.000 0.970 157 N HN 0.096 nan 8.380 nan 0.000 0.462 158 K N 1.946 122.394 120.400 0.080 0.000 2.310 158 K HA 0.224 4.544 4.320 0.000 0.000 0.290 158 K C -0.859 175.840 176.600 0.165 0.000 1.077 158 K CA -0.100 56.260 56.287 0.121 0.000 0.922 158 K CB 0.331 32.914 32.500 0.138 0.000 1.057 158 K HN 0.034 nan 8.250 nan 0.000 0.479 159 I N 4.075 124.740 120.570 0.159 0.000 2.315 159 I HA 0.132 4.302 4.170 0.000 0.000 0.291 159 I C -0.192 176.093 176.117 0.279 0.000 1.006 159 I CA -0.450 60.973 61.300 0.206 0.000 1.265 159 I CB 1.805 39.863 38.000 0.096 0.000 1.387 159 I HN 0.527 nan 8.210 nan 0.000 0.475 160 T N 7.623 122.431 114.554 0.423 0.000 2.772 160 T HA 0.342 4.692 4.350 0.000 0.000 0.288 160 T C -2.455 172.498 174.700 0.422 0.000 0.994 160 T CA -1.432 60.934 62.100 0.443 0.000 0.951 160 T CB 1.326 70.558 68.868 0.607 0.000 0.933 160 T HN 0.246 nan 8.240 nan 0.000 0.447 161 P HA 0.249 nan 4.420 nan 0.000 0.268 161 P C -0.620 176.911 177.300 0.386 0.000 1.205 161 P CA -0.410 62.876 63.100 0.309 0.000 0.771 161 P CB 0.512 32.310 31.700 0.163 0.000 0.858 162 V N 0.030 120.111 119.914 0.279 0.000 3.040 162 V HA 0.744 4.865 4.120 0.000 0.000 0.312 162 V C -1.393 174.839 176.094 0.229 0.000 1.115 162 V CA -0.971 61.390 62.300 0.102 0.000 0.998 162 V CB 2.276 33.940 31.823 -0.265 0.000 1.042 162 V HN 0.323 nan 8.190 nan 0.000 0.433 163 F N 2.351 122.263 119.950 -0.063 0.000 2.539 163 F HA 0.831 5.359 4.527 0.000 0.000 0.328 163 F C -0.899 174.792 175.800 -0.182 0.000 1.148 163 F CA -0.746 57.165 58.000 -0.148 0.000 0.940 163 F CB 1.876 40.800 39.000 -0.126 0.000 1.194 163 F HN 0.528 nan 8.300 nan 0.000 0.438 164 V N 6.687 126.145 119.914 -0.760 0.000 2.495 164 V HA 0.584 4.704 4.120 0.000 0.000 0.298 164 V C -0.617 174.796 176.094 -1.134 0.000 1.031 164 V CA -0.827 60.945 62.300 -0.881 0.000 0.871 164 V CB 1.956 33.188 31.823 -0.986 0.000 0.988 164 V HN 0.729 nan 8.190 nan 0.000 0.432 165 R N 3.551 123.377 120.500 -1.123 0.000 2.480 165 R HA 0.626 4.967 4.340 0.000 0.000 0.306 165 R C -1.734 173.941 176.300 -1.042 0.000 0.958 165 R CA -0.448 55.085 56.100 -0.946 0.000 0.861 165 R CB 1.288 31.217 30.300 -0.619 0.000 1.171 165 R HN 0.560 nan 8.270 nan 0.000 0.445 166 F N 1.982 121.516 119.950 -0.694 0.000 2.425 166 F HA 0.518 5.045 4.527 0.000 0.000 0.331 166 F C 0.407 175.865 175.800 -0.570 0.000 1.085 166 F CA -0.285 57.196 58.000 -0.866 0.000 1.028 166 F CB 2.217 40.187 39.000 -1.715 0.000 1.177 166 F HN 0.611 nan 8.300 nan 0.000 0.487 167 S N -0.765 114.875 115.700 -0.099 0.000 2.615 167 S HA 0.650 5.120 4.470 0.000 0.000 0.269 167 S C -0.583 174.146 174.600 0.215 0.000 1.161 167 S CA -0.881 57.390 58.200 0.119 0.000 0.817 167 S CB 1.389 64.700 63.200 0.185 0.000 1.131 167 S HN 0.708 nan 8.310 nan 0.000 0.467 168 T N -1.466 113.205 114.554 0.196 0.000 2.867 168 T HA 0.685 5.035 4.350 0.000 0.000 0.286 168 T C 0.809 175.457 174.700 -0.087 0.000 1.022 168 T CA -0.112 62.060 62.100 0.120 0.000 0.933 168 T CB 0.373 69.323 68.868 0.135 0.000 1.280 168 T HN 0.640 nan 8.240 nan 0.000 0.566 169 V N -0.146 119.680 119.914 -0.147 0.000 2.948 169 V HA 0.128 4.248 4.120 0.000 0.000 0.234 169 V C 2.709 178.722 176.094 -0.135 0.000 1.205 169 V CA 0.342 62.425 62.300 -0.362 0.000 1.234 169 V CB -0.223 31.471 31.823 -0.215 0.000 1.020 169 V HN 0.869 nan 8.190 nan 0.000 0.491 170 Q N 1.096 120.853 119.800 -0.071 0.000 2.089 170 Q HA 0.092 4.433 4.340 0.000 0.000 0.195 170 Q C 1.332 177.309 176.000 -0.038 0.000 0.963 170 Q CA 1.234 56.999 55.803 -0.064 0.000 0.834 170 Q CB -0.192 28.492 28.738 -0.090 0.000 0.906 170 Q HN 0.582 nan 8.270 nan 0.000 0.452 171 G N 0.062 108.851 108.800 -0.019 0.000 2.664 171 G HA2 0.314 4.274 3.960 0.000 0.000 0.242 171 G HA3 0.314 4.274 3.960 0.000 0.000 0.242 171 G C 0.247 175.154 174.900 0.011 0.000 1.225 171 G CA 0.101 45.196 45.100 -0.008 0.000 0.849 171 G HN 0.345 nan 8.290 nan 0.000 0.581 172 G N -1.096 107.708 108.800 0.005 0.000 2.653 172 G HA2 0.477 4.438 3.960 0.000 0.000 0.265 172 G HA3 0.477 4.438 3.960 0.000 0.000 0.265 172 G C 1.314 176.243 174.900 0.048 0.000 1.237 172 G CA 0.432 45.545 45.100 0.021 0.000 0.946 172 G HN 1.095 nan 8.290 nan 0.000 0.522 173 A N -0.933 121.925 122.820 0.064 0.000 2.067 173 A HA 0.170 4.490 4.320 0.000 0.000 0.219 173 A C 2.238 179.859 177.584 0.061 0.000 1.158 173 A CA 1.876 53.970 52.037 0.094 0.000 0.661 173 A CB -0.335 18.737 19.000 0.121 0.000 0.801 173 A HN 1.054 nan 8.150 nan 0.000 0.452 174 G N -0.178 108.640 108.800 0.030 0.000 3.189 174 G HA2 0.305 4.265 3.960 0.000 0.000 0.225 174 G HA3 0.305 4.265 3.960 0.000 0.000 0.225 174 G C 0.778 175.678 174.900 0.000 0.000 1.159 174 G CA 0.673 45.775 45.100 0.004 0.000 0.763 174 G HN 0.653 nan 8.290 nan 0.000 0.549 175 S N -0.185 115.523 115.700 0.014 0.000 2.661 175 S HA 0.741 5.211 4.470 0.000 0.000 0.265 175 S C 0.412 175.024 174.600 0.020 0.000 1.225 175 S CA -0.078 58.127 58.200 0.007 0.000 0.986 175 S CB 1.572 64.777 63.200 0.009 0.000 1.008 175 S HN 0.533 nan 8.310 nan 0.000 0.565 176 A N 0.096 122.923 122.820 0.012 0.000 2.302 176 A HA 0.474 4.794 4.320 0.000 0.000 0.285 176 A C 0.516 178.120 177.584 0.033 0.000 1.105 176 A CA -0.621 51.421 52.037 0.008 0.000 0.816 176 A CB 0.018 19.006 19.000 -0.020 0.000 1.067 176 A HN 0.854 nan 8.150 nan 0.000 0.489 177 D N 0.372 120.782 120.400 0.017 0.000 2.120 177 D HA -0.051 4.589 4.640 0.000 0.000 0.202 177 D C 1.492 177.771 176.300 -0.036 0.000 0.972 177 D CA 2.199 56.221 54.000 0.037 0.000 0.837 177 D CB -0.276 40.512 40.800 -0.020 0.000 0.989 177 D HN 0.665 nan 8.370 nan 0.000 0.469 178 T N 0.170 114.623 114.554 -0.168 0.000 3.467 178 T HA 0.298 4.648 4.350 0.000 0.000 0.232 178 T C 0.824 175.514 174.700 -0.017 0.000 0.876 178 T CA -0.587 61.413 62.100 -0.166 0.000 0.939 178 T CB -1.029 67.663 68.868 -0.293 0.000 1.165 178 T HN -0.078 nan 8.240 nan 0.000 0.615 179 V N -1.226 118.731 119.914 0.071 0.000 3.319 179 V HA 0.469 4.590 4.120 0.000 0.000 0.303 179 V C 0.655 176.889 176.094 0.234 0.000 1.094 179 V CA -1.454 60.934 62.300 0.147 0.000 1.106 179 V CB 0.549 32.445 31.823 0.122 0.000 1.099 179 V HN 0.607 nan 8.190 nan 0.000 0.476 180 R N 1.315 121.997 120.500 0.304 0.000 2.202 180 R HA 0.591 4.932 4.340 0.000 0.000 0.334 180 R C -0.345 176.037 176.300 0.137 0.000 1.036 180 R CA -0.135 56.108 56.100 0.239 0.000 0.878 180 R CB 0.443 30.825 30.300 0.136 0.000 1.067 180 R HN 1.036 nan 8.270 nan 0.000 0.457 181 E N 3.476 123.769 120.200 0.156 0.000 2.417 181 E HA 0.146 4.496 4.350 0.000 0.000 0.280 181 E C -0.790 175.924 176.600 0.190 0.000 1.112 181 E CA -0.892 55.592 56.400 0.140 0.000 0.863 181 E CB 1.128 30.896 29.700 0.114 0.000 1.346 181 E HN 0.369 nan 8.360 nan 0.000 0.443 182 I N 1.717 122.419 120.570 0.219 0.000 2.938 182 I HA 0.118 4.289 4.170 0.000 0.000 0.285 182 I C 0.527 176.779 176.117 0.224 0.000 1.182 182 I CA 0.352 61.785 61.300 0.220 0.000 1.388 182 I CB -0.213 37.943 38.000 0.261 0.000 1.390 182 I HN 0.363 nan 8.210 nan 0.000 0.600 183 R N 2.626 123.275 120.500 0.248 0.000 2.711 183 R HA 0.567 4.907 4.340 0.000 0.000 0.284 183 R C -0.128 176.352 176.300 0.300 0.000 0.968 183 R CA -0.806 55.455 56.100 0.268 0.000 0.924 183 R CB 1.414 31.894 30.300 0.301 0.000 1.162 183 R HN 0.786 nan 8.270 nan 0.000 0.465 184 G N 0.868 109.864 108.800 0.327 0.000 2.420 184 G HA2 0.461 4.421 3.960 0.000 0.000 0.284 184 G HA3 0.461 4.421 3.960 0.000 0.000 0.284 184 G C -1.257 173.730 174.900 0.145 0.000 1.177 184 G CA -0.051 45.230 45.100 0.303 0.000 0.841 184 G HN 0.347 nan 8.290 nan 0.000 0.527 185 F N 2.215 122.091 119.950 -0.124 0.000 2.902 185 F HA 0.635 5.162 4.527 0.000 0.000 0.368 185 F C -0.203 175.333 175.800 -0.439 0.000 1.202 185 F CA -1.846 55.992 58.000 -0.270 0.000 1.109 185 F CB 1.091 40.035 39.000 -0.094 0.000 1.418 185 F HN 0.656 nan 8.300 nan 0.000 0.527 186 A N 3.447 126.021 122.820 -0.410 0.000 2.303 186 A HA 0.770 5.090 4.320 0.000 0.000 0.320 186 A C -0.595 176.571 177.584 -0.695 0.000 1.192 186 A CA -0.432 51.204 52.037 -0.668 0.000 0.821 186 A CB 0.754 18.978 19.000 -1.294 0.000 1.188 186 A HN 0.534 nan 8.150 nan 0.000 0.492 187 T N 2.414 116.719 114.554 -0.415 0.000 2.809 187 T HA 0.392 4.742 4.350 0.000 0.000 0.284 187 T C -0.333 174.181 174.700 -0.310 0.000 0.992 187 T CA -0.465 61.391 62.100 -0.407 0.000 0.957 187 T CB 1.034 69.603 68.868 -0.497 0.000 0.942 187 T HN 0.630 nan 8.240 nan 0.000 0.439 188 K N 3.599 123.878 120.400 -0.202 0.000 2.281 188 K HA 0.437 4.758 4.320 0.000 0.000 0.272 188 K C -1.245 175.020 176.600 -0.558 0.000 1.048 188 K CA -0.611 55.474 56.287 -0.335 0.000 0.898 188 K CB 0.349 32.594 32.500 -0.426 0.000 1.128 188 K HN 0.392 nan 8.250 nan 0.000 0.460 189 F N 4.244 123.900 119.950 -0.490 0.000 2.404 189 F HA 0.222 4.749 4.527 0.000 0.000 0.358 189 F C -0.328 175.259 175.800 -0.354 0.000 1.120 189 F CA -0.527 57.248 58.000 -0.376 0.000 1.144 189 F CB 0.618 39.305 39.000 -0.522 0.000 1.133 189 F HN 0.442 nan 8.300 nan 0.000 0.495 190 Y N 1.932 122.281 120.300 0.082 0.000 2.632 190 Y HA 0.208 4.758 4.550 0.000 0.000 0.336 190 Y C 1.077 177.028 175.900 0.087 0.000 1.237 190 Y CA -0.850 57.283 58.100 0.056 0.000 1.595 190 Y CB -0.309 38.173 38.460 0.037 0.000 1.508 190 Y HN 0.557 nan 8.280 nan 0.000 0.480 191 T N -2.396 112.252 114.554 0.156 0.000 2.824 191 T HA 0.164 4.515 4.350 0.000 0.000 0.277 191 T C 0.978 175.771 174.700 0.155 0.000 0.975 191 T CA -0.682 61.515 62.100 0.163 0.000 0.966 191 T CB 1.049 69.990 68.868 0.123 0.000 1.054 191 T HN 0.642 nan 8.240 nan 0.000 0.533 192 E N -0.120 120.175 120.200 0.159 0.000 2.482 192 E HA -0.010 4.341 4.350 0.000 0.000 0.196 192 E C 0.909 177.576 176.600 0.111 0.000 1.047 192 E CA 0.581 57.057 56.400 0.127 0.000 0.869 192 E CB 0.139 29.912 29.700 0.120 0.000 0.836 192 E HN 0.719 nan 8.360 nan 0.000 0.520 193 E N 0.169 120.438 120.200 0.114 0.000 2.789 193 E HA 0.270 4.620 4.350 0.000 0.000 0.208 193 E C -0.017 176.632 176.600 0.082 0.000 0.988 193 E CA -0.294 56.165 56.400 0.099 0.000 1.092 193 E CB 1.359 31.121 29.700 0.102 0.000 1.066 193 E HN 0.177 nan 8.360 nan 0.000 0.465 194 G N 1.169 110.011 108.800 0.070 0.000 2.406 194 G HA2 -0.114 3.846 3.960 0.000 0.000 0.680 194 G HA3 -0.114 3.846 3.960 0.000 0.000 0.680 194 G C -0.838 174.069 174.900 0.012 0.000 1.338 194 G CA -1.135 43.981 45.100 0.027 0.000 0.941 194 G HN 0.029 nan 8.290 nan 0.000 0.633 195 I N 0.780 121.319 120.570 -0.052 0.000 2.556 195 I HA 0.363 4.533 4.170 0.000 0.000 0.284 195 I C 0.163 176.289 176.117 0.015 0.000 1.114 195 I CA 0.105 61.349 61.300 -0.094 0.000 1.418 195 I CB 0.677 38.550 38.000 -0.212 0.000 1.394 195 I HN 0.481 nan 8.210 nan 0.000 0.552 196 F N 6.798 126.652 119.950 -0.161 0.000 2.460 196 F HA 0.447 4.975 4.527 0.000 0.000 0.341 196 F C -0.635 175.137 175.800 -0.046 0.000 1.130 196 F CA -1.245 56.663 58.000 -0.153 0.000 0.962 196 F CB 0.768 39.543 39.000 -0.375 0.000 1.171 196 F HN 0.342 nan 8.300 nan 0.000 0.436 197 D N 6.672 126.887 120.400 -0.308 0.000 2.280 197 D HA 0.263 4.903 4.640 0.000 0.000 0.236 197 D C -0.975 174.887 176.300 -0.730 0.000 1.082 197 D CA -0.116 53.643 54.000 -0.402 0.000 0.834 197 D CB 2.146 42.896 40.800 -0.084 0.000 1.100 197 D HN 0.509 nan 8.370 nan 0.000 0.486 198 L N 3.883 124.643 121.223 -0.771 0.000 2.283 198 L HA 0.302 4.642 4.340 0.000 0.000 0.281 198 L C -1.172 175.496 176.870 -0.336 0.000 1.033 198 L CA -0.724 53.737 54.840 -0.631 0.000 0.848 198 L CB 1.131 42.784 42.059 -0.676 0.000 1.226 198 L HN 0.058 nan 8.230 nan 0.000 0.429 199 V N 6.177 125.925 119.914 -0.276 0.000 2.270 199 V HA 0.764 4.884 4.120 0.000 0.000 0.263 199 V C 0.840 176.842 176.094 -0.154 0.000 1.066 199 V CA 0.101 62.250 62.300 -0.252 0.000 0.857 199 V CB 0.039 31.668 31.823 -0.323 0.000 1.099 199 V HN 0.895 nan 8.190 nan 0.000 0.476 200 G N 3.326 112.056 108.800 -0.117 0.000 3.108 200 G HA2 0.651 4.612 3.960 0.000 0.000 0.268 200 G HA3 0.651 4.612 3.960 0.000 0.000 0.268 200 G C -0.940 173.983 174.900 0.040 0.000 1.361 200 G CA -0.611 44.466 45.100 -0.039 0.000 1.047 200 G HN 0.462 nan 8.290 nan 0.000 0.540 201 N N -0.926 117.835 118.700 0.103 0.000 2.966 201 N HA 0.249 4.989 4.740 0.000 0.000 0.314 201 N C 0.400 176.078 175.510 0.279 0.000 1.397 201 N CA -0.703 52.465 53.050 0.197 0.000 0.776 201 N CB 1.316 39.903 38.487 0.166 0.000 1.576 201 N HN 0.530 nan 8.380 nan 0.000 0.592 202 N N -1.321 117.561 118.700 0.303 0.000 2.322 202 N HA -0.007 4.733 4.740 0.000 0.000 0.194 202 N C -0.438 175.298 175.510 0.377 0.000 1.126 202 N CA -0.037 53.245 53.050 0.386 0.000 0.845 202 N CB -0.127 38.571 38.487 0.352 0.000 0.976 202 N HN 0.543 nan 8.380 nan 0.000 0.475 203 T N -3.653 110.929 114.554 0.046 0.000 2.906 203 T HA 0.462 4.812 4.350 0.000 0.000 0.295 203 T C -2.595 171.443 174.700 -1.103 0.000 1.075 203 T CA -1.641 60.056 62.100 -0.672 0.000 1.005 203 T CB 2.898 71.282 68.868 -0.806 0.000 1.136 203 T HN -0.250 nan 8.240 nan 0.000 0.498 204 P HA 0.201 nan 4.420 nan 0.000 0.249 204 P C 0.368 177.147 177.300 -0.869 0.000 1.229 204 P CA 0.095 62.262 63.100 -1.556 0.000 0.788 204 P CB -0.091 30.649 31.700 -1.600 0.000 1.072 205 I N -4.669 115.377 120.570 -0.874 0.000 3.264 205 I HA 0.537 4.707 4.170 0.000 0.000 0.315 205 I C -1.330 174.520 176.117 -0.446 0.000 1.154 205 I CA -1.956 58.990 61.300 -0.589 0.000 0.962 205 I CB 1.443 39.074 38.000 -0.615 0.000 1.265 205 I HN -0.249 nan 8.210 nan 0.000 0.463 206 F N 0.497 120.169 119.950 -0.464 0.000 2.557 206 F HA 0.501 5.028 4.527 0.000 0.000 0.336 206 F C 0.453 176.016 175.800 -0.396 0.000 1.058 206 F CA -0.760 57.002 58.000 -0.398 0.000 0.988 206 F CB 1.926 40.813 39.000 -0.188 0.000 1.275 206 F HN 0.397 nan 8.300 nan 0.000 0.488 207 F N 2.126 121.327 119.950 -1.248 0.000 2.259 207 F HA 0.030 4.557 4.527 0.000 0.000 0.298 207 F C 0.632 176.128 175.800 -0.506 0.000 1.088 207 F CA 0.745 58.188 58.000 -0.928 0.000 1.358 207 F CB -0.082 37.962 39.000 -1.594 0.000 1.040 207 F HN 0.130 nan 8.300 nan 0.000 0.505 208 I N -3.387 117.125 120.570 -0.098 0.000 2.892 208 I HA 0.363 4.533 4.170 0.000 0.000 0.306 208 I C 0.353 176.606 176.117 0.227 0.000 1.078 208 I CA -0.842 60.528 61.300 0.116 0.000 1.032 208 I CB 1.868 39.990 38.000 0.204 0.000 1.229 208 I HN -0.154 nan 8.210 nan 0.000 0.435 209 Q N 0.486 120.422 119.800 0.227 0.000 2.259 209 Q HA 0.120 4.460 4.340 0.000 0.000 0.201 209 Q C -0.201 175.966 176.000 0.277 0.000 0.938 209 Q CA 0.688 56.668 55.803 0.296 0.000 0.872 209 Q CB 0.390 29.372 28.738 0.407 0.000 0.971 209 Q HN 0.670 nan 8.270 nan 0.000 0.494 210 D N -1.048 119.486 120.400 0.224 0.000 2.362 210 D HA 0.308 4.948 4.640 0.000 0.000 0.247 210 D C 0.060 176.481 176.300 0.201 0.000 1.050 210 D CA -0.214 53.890 54.000 0.173 0.000 0.839 210 D CB 1.834 42.708 40.800 0.123 0.000 1.283 210 D HN 0.047 nan 8.370 nan 0.000 0.477 211 A N 3.310 126.220 122.820 0.151 0.000 2.024 211 A HA -0.241 4.079 4.320 0.000 0.000 0.220 211 A C 1.794 179.491 177.584 0.189 0.000 1.164 211 A CA 1.687 53.809 52.037 0.142 0.000 0.643 211 A CB -0.793 18.235 19.000 0.047 0.000 0.806 211 A HN 0.819 nan 8.150 nan 0.000 0.451 212 H N 0.006 119.132 119.070 0.093 0.000 2.457 212 H HA -0.020 4.537 4.556 0.000 0.000 0.297 212 H C 1.506 176.909 175.328 0.125 0.000 1.092 212 H CA 1.842 57.939 56.048 0.081 0.000 1.309 212 H CB 0.090 29.876 29.762 0.041 0.000 1.382 212 H HN 0.386 nan 8.280 nan 0.000 0.535 213 K N -0.594 119.929 120.400 0.206 0.000 2.404 213 K HA -0.031 4.289 4.320 0.000 0.000 0.194 213 K C 1.287 178.023 176.600 0.228 0.000 1.023 213 K CA -0.068 56.339 56.287 0.201 0.000 1.094 213 K CB 0.094 32.766 32.500 0.285 0.000 0.841 213 K HN 0.292 nan 8.250 nan 0.000 0.523 214 F N 3.046 123.049 119.950 0.088 0.000 2.095 214 F HA -0.137 4.390 4.527 0.000 0.000 0.298 214 F C -1.012 174.801 175.800 0.023 0.000 1.104 214 F CA 1.372 59.448 58.000 0.127 0.000 1.232 214 F CB -0.485 38.587 39.000 0.119 0.000 0.987 214 F HN 0.022 nan 8.300 nan 0.000 0.475 215 P HA -0.151 nan 4.420 nan 0.000 0.218 215 P C 0.969 177.954 177.300 -0.526 0.000 1.148 215 P CA 1.798 64.675 63.100 -0.372 0.000 0.822 215 P CB -0.058 31.454 31.700 -0.314 0.000 0.784 216 D N -1.460 118.789 120.400 -0.252 0.000 2.103 216 D HA -0.124 4.517 4.640 0.000 0.000 0.199 216 D C 1.804 177.860 176.300 -0.407 0.000 0.978 216 D CA 0.938 54.835 54.000 -0.171 0.000 0.829 216 D CB -0.812 40.066 40.800 0.130 0.000 0.981 216 D HN 0.152 nan 8.370 nan 0.000 0.464 217 F N 1.898 121.454 119.950 -0.657 0.000 2.102 217 F HA -0.233 4.294 4.527 0.000 0.000 0.298 217 F C 2.241 177.648 175.800 -0.656 0.000 1.105 217 F CA 1.164 58.553 58.000 -1.018 0.000 1.239 217 F CB -0.186 38.434 39.000 -0.634 0.000 0.991 217 F HN -0.253 nan 8.300 nan 0.000 0.474 218 V N 0.442 119.943 119.914 -0.687 0.000 2.295 218 V HA -0.354 3.767 4.120 0.000 0.000 0.246 218 V C 2.278 178.153 176.094 -0.364 0.000 1.049 218 V CA 2.530 64.465 62.300 -0.608 0.000 1.024 218 V CB -1.081 30.385 31.823 -0.595 0.000 0.648 218 V HN 0.470 nan 8.190 nan 0.000 0.447 219 H N -0.232 118.631 119.070 -0.345 0.000 2.387 219 H HA -0.142 4.414 4.556 0.000 0.000 0.299 219 H C 2.298 177.486 175.328 -0.235 0.000 1.099 219 H CA 1.038 56.955 56.048 -0.218 0.000 1.315 219 H CB -0.027 29.659 29.762 -0.126 0.000 1.380 219 H HN 0.488 nan 8.280 nan 0.000 0.513 220 A N 0.432 123.094 122.820 -0.262 0.000 1.969 220 A HA -0.100 4.220 4.320 0.000 0.000 0.218 220 A C 2.499 179.932 177.584 -0.252 0.000 1.169 220 A CA 1.281 53.161 52.037 -0.262 0.000 0.635 220 A CB -0.603 18.122 19.000 -0.459 0.000 0.810 220 A HN 0.303 nan 8.150 nan 0.000 0.445 221 V N -0.192 119.449 119.914 -0.455 0.000 2.649 221 V HA -0.006 4.115 4.120 0.000 0.000 0.248 221 V C 0.943 177.007 176.094 -0.050 0.000 1.054 221 V CA 0.814 62.914 62.300 -0.334 0.000 1.073 221 V CB -0.418 31.005 31.823 -0.668 0.000 0.699 221 V HN 0.351 nan 8.190 nan 0.000 0.463 222 K N 1.040 121.380 120.400 -0.100 0.000 2.187 222 K HA 0.187 4.508 4.320 0.000 0.000 0.247 222 K C -2.280 174.289 176.600 -0.051 0.000 1.019 222 K CA -1.516 54.730 56.287 -0.069 0.000 0.893 222 K CB -0.463 31.992 32.500 -0.075 0.000 1.025 222 K HN 0.169 nan 8.250 nan 0.000 0.500 223 P HA -0.046 nan 4.420 nan 0.000 0.264 223 P C -0.492 176.762 177.300 -0.076 0.000 1.183 223 P CA 0.518 63.498 63.100 -0.201 0.000 0.763 223 P CB 0.306 31.894 31.700 -0.187 0.000 0.807 224 E N 5.592 125.792 120.200 0.000 0.000 2.398 224 E HA -0.009 4.341 4.350 0.000 0.000 0.263 224 E C -1.227 175.448 176.600 0.126 0.000 1.046 224 E CA -1.307 55.194 56.400 0.169 0.000 0.908 224 E CB 0.140 30.061 29.700 0.369 0.000 0.963 224 E HN 0.431 nan 8.360 nan 0.000 0.431 225 P HA -0.197 nan 4.420 nan 0.000 0.223 225 P C 0.975 178.348 177.300 0.121 0.000 1.151 225 P CA 1.355 64.501 63.100 0.077 0.000 0.787 225 P CB 0.058 31.776 31.700 0.030 0.000 0.788 226 H N -0.755 118.356 119.070 0.068 0.000 2.333 226 H HA -0.074 4.482 4.556 0.000 0.000 0.302 226 H C 1.521 176.954 175.328 0.175 0.000 1.075 226 H CA 1.416 57.493 56.048 0.049 0.000 1.348 226 H CB -1.355 28.364 29.762 -0.071 0.000 1.393 226 H HN 0.317 nan 8.280 nan 0.000 0.509 227 W N 0.028 120.997 121.300 -0.553 0.000 2.714 227 W HA 0.696 5.356 4.660 0.000 0.000 0.353 227 W C 0.373 176.732 176.519 -0.265 0.000 0.999 227 W CA -1.115 56.017 57.345 -0.355 0.000 1.629 227 W CB -0.708 28.509 29.460 -0.406 0.000 1.106 227 W HN 0.432 nan 8.180 nan 0.000 0.545 228 A N 1.465 124.255 122.820 -0.050 0.000 2.610 228 A HA -0.140 4.180 4.320 0.000 0.000 0.299 228 A C -0.455 176.899 177.584 -0.382 0.000 1.487 228 A CA 1.460 53.396 52.037 -0.169 0.000 0.743 228 A CB -2.379 16.549 19.000 -0.120 0.000 1.070 228 A HN 0.471 nan 8.150 nan 0.000 0.439 229 I N 0.698 120.902 120.570 -0.611 0.000 2.686 229 I HA 0.562 4.733 4.170 0.000 0.000 0.295 229 I C -2.509 173.320 176.117 -0.480 0.000 1.114 229 I CA -2.334 58.514 61.300 -0.753 0.000 1.038 229 I CB 3.043 40.114 38.000 -1.548 0.000 1.238 229 I HN 0.226 nan 8.210 nan 0.000 0.420 230 P HA 0.330 nan 4.420 nan 0.000 0.295 230 P C -1.610 175.529 177.300 -0.270 0.000 1.319 230 P CA -0.899 61.984 63.100 -0.360 0.000 0.940 230 P CB 1.694 33.255 31.700 -0.232 0.000 1.192 231 Q N 0.795 120.480 119.800 -0.192 0.000 2.288 231 Q HA 0.471 4.812 4.340 0.000 0.000 0.254 231 Q C 1.158 177.116 176.000 -0.070 0.000 0.932 231 Q CA 1.086 56.813 55.803 -0.127 0.000 0.902 231 Q CB -0.350 28.323 28.738 -0.109 0.000 1.203 231 Q HN 0.818 nan 8.270 nan 0.000 0.415 232 G N 3.101 111.870 108.800 -0.053 0.000 2.203 232 G HA2 -0.308 3.653 3.960 0.000 0.000 0.263 232 G HA3 -0.308 3.653 3.960 0.000 0.000 0.263 232 G C -0.381 174.527 174.900 0.013 0.000 1.012 232 G CA 0.669 45.762 45.100 -0.012 0.000 0.749 232 G HN 0.550 nan 8.290 nan 0.000 0.512 233 Q N -1.040 118.756 119.800 -0.007 0.000 2.331 233 Q HA 0.559 4.899 4.340 0.000 0.000 0.272 233 Q C 0.896 176.907 176.000 0.018 0.000 1.062 233 Q CA -0.116 55.712 55.803 0.042 0.000 0.806 233 Q CB 1.803 30.605 28.738 0.107 0.000 1.312 233 Q HN 0.392 nan 8.270 nan 0.000 0.431 234 S N -0.333 115.284 115.700 -0.138 0.000 2.558 234 S HA 0.136 4.607 4.470 0.000 0.000 0.217 234 S C 1.017 175.594 174.600 -0.038 0.000 0.975 234 S CA 0.062 57.962 58.200 -0.499 0.000 0.912 234 S CB 0.268 62.651 63.200 -1.362 0.000 0.776 234 S HN 0.605 nan 8.310 nan 0.000 0.526 235 A N 2.440 125.406 122.820 0.244 0.000 3.052 235 A HA 0.463 4.783 4.320 0.000 0.000 0.266 235 A C 0.164 177.989 177.584 0.402 0.000 1.855 235 A CA -0.495 51.759 52.037 0.362 0.000 1.473 235 A CB -1.375 17.774 19.000 0.248 0.000 1.038 235 A HN 0.893 nan 8.150 nan 0.000 0.619 236 H N -3.731 115.533 119.070 0.324 0.000 3.014 236 H HA 0.504 5.060 4.556 0.000 0.000 0.337 236 H C -0.180 175.343 175.328 0.325 0.000 1.320 236 H CA -0.754 55.447 56.048 0.255 0.000 1.128 236 H CB 0.319 30.193 29.762 0.186 0.000 1.862 236 H HN 0.076 nan 8.280 nan 0.000 0.536 237 D N 0.350 120.916 120.400 0.277 0.000 2.126 237 D HA -0.230 4.410 4.640 0.000 0.000 0.190 237 D C 2.139 178.495 176.300 0.093 0.000 1.001 237 D CA 3.277 57.377 54.000 0.167 0.000 0.841 237 D CB -0.363 40.514 40.800 0.129 0.000 0.949 237 D HN 0.795 nan 8.370 nan 0.000 0.446 238 T N -1.719 112.879 114.554 0.072 0.000 2.833 238 T HA -0.198 4.152 4.350 0.000 0.000 0.269 238 T C 1.898 176.526 174.700 -0.121 0.000 1.054 238 T CA 0.732 62.841 62.100 0.015 0.000 1.135 238 T CB -0.680 68.248 68.868 0.100 0.000 0.869 238 T HN 0.174 nan 8.240 nan 0.000 0.466 239 F N 0.760 120.389 119.950 -0.535 0.000 2.113 239 F HA 0.108 4.635 4.527 0.000 0.000 0.297 239 F C 1.810 177.329 175.800 -0.468 0.000 1.103 239 F CA 0.625 58.241 58.000 -0.640 0.000 1.248 239 F CB -0.568 37.875 39.000 -0.928 0.000 0.999 239 F HN 0.145 nan 8.300 nan 0.000 0.475 240 W N 0.609 121.823 121.300 -0.143 0.000 2.519 240 W HA -0.078 4.582 4.660 0.001 0.000 0.266 240 W C 2.246 178.677 176.519 -0.147 0.000 1.253 240 W CA 0.940 58.191 57.345 -0.157 0.000 1.274 240 W CB -0.578 28.881 29.460 -0.002 0.000 1.114 240 W HN 0.078 nan 8.180 nan 0.000 0.596 241 D N -0.535 119.892 120.400 0.045 0.000 2.084 241 D HA -0.290 4.350 4.640 0.000 0.000 0.194 241 D C 1.889 178.184 176.300 -0.008 0.000 0.990 241 D CA 1.479 55.492 54.000 0.022 0.000 0.826 241 D CB -0.552 40.271 40.800 0.039 0.000 0.971 241 D HN 0.179 nan 8.370 nan 0.000 0.453 242 Y N 0.477 120.664 120.300 -0.189 0.000 2.128 242 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 242 Y C 2.288 178.049 175.900 -0.232 0.000 1.154 242 Y CA 1.557 59.536 58.100 -0.201 0.000 1.149 242 Y CB -0.497 37.809 38.460 -0.256 0.000 0.976 242 Y HN -0.110 nan 8.280 nan 0.000 0.505 243 V N 0.158 119.964 119.914 -0.180 0.000 2.287 243 V HA -0.364 3.756 4.120 0.000 0.000 0.248 243 V C 2.665 178.705 176.094 -0.090 0.000 1.053 243 V CA 2.334 64.515 62.300 -0.198 0.000 1.027 243 V CB -1.319 30.266 31.823 -0.397 0.000 0.646 243 V HN 0.676 nan 8.190 nan 0.000 0.447 244 S N -0.182 115.508 115.700 -0.016 0.000 2.419 244 S HA -0.135 4.336 4.470 0.000 0.000 0.235 244 S C 1.696 176.264 174.600 -0.055 0.000 1.019 244 S CA 1.675 59.882 58.200 0.013 0.000 0.982 244 S CB -0.518 62.713 63.200 0.052 0.000 0.789 244 S HN 0.569 nan 8.310 nan 0.000 0.490 245 L N -0.073 121.072 121.223 -0.130 0.000 2.607 245 L HA 0.336 4.676 4.340 0.000 0.000 0.228 245 L C 0.482 177.186 176.870 -0.275 0.000 1.123 245 L CA 0.077 54.813 54.840 -0.172 0.000 0.890 245 L CB 0.067 42.022 42.059 -0.172 0.000 1.103 245 L HN 0.250 nan 8.230 nan 0.000 0.468 246 Q N 0.184 119.782 119.800 -0.336 0.000 3.090 246 Q HA 0.237 4.577 4.340 0.000 0.000 0.241 246 Q C -1.955 173.832 176.000 -0.355 0.000 0.958 246 Q CA -1.469 54.093 55.803 -0.402 0.000 0.715 246 Q CB 1.674 30.071 28.738 -0.568 0.000 1.298 246 Q HN -0.048 nan 8.270 nan 0.000 0.468 247 P HA -0.220 nan 4.420 nan 0.000 0.221 247 P C 1.022 177.995 177.300 -0.545 0.000 1.145 247 P CA 1.141 63.977 63.100 -0.440 0.000 0.795 247 P CB 0.260 31.670 31.700 -0.483 0.000 0.775 248 E N 0.571 120.318 120.200 -0.755 0.000 2.209 248 E HA -0.197 4.153 4.350 0.000 0.000 0.196 248 E C 1.473 178.023 176.600 -0.083 0.000 0.993 248 E CA 1.917 58.141 56.400 -0.293 0.000 0.819 248 E CB -1.357 28.251 29.700 -0.153 0.000 0.745 248 E HN 0.300 nan 8.360 nan 0.000 0.477 249 T N -0.590 113.922 114.554 -0.070 0.000 3.035 249 T HA 0.010 4.360 4.350 0.000 0.000 0.268 249 T C 1.966 176.737 174.700 0.117 0.000 1.109 249 T CA 0.496 62.623 62.100 0.044 0.000 1.119 249 T CB -0.345 68.573 68.868 0.085 0.000 0.900 249 T HN 0.153 nan 8.240 nan 0.000 0.503 250 L N 0.063 121.357 121.223 0.118 0.000 2.083 250 L HA -0.090 4.251 4.340 0.000 0.000 0.209 250 L C 2.867 179.912 176.870 0.293 0.000 1.083 250 L CA 1.887 56.868 54.840 0.235 0.000 0.752 250 L CB -0.836 41.369 42.059 0.244 0.000 0.899 250 L HN 0.464 nan 8.230 nan 0.000 0.433 251 H N 0.094 119.222 119.070 0.096 0.000 2.293 251 H HA -0.209 4.347 4.556 0.000 0.000 0.300 251 H C 2.192 177.531 175.328 0.017 0.000 1.082 251 H CA 1.843 57.947 56.048 0.092 0.000 1.308 251 H CB 0.191 29.969 29.762 0.027 0.000 1.375 251 H HN 0.368 nan 8.280 nan 0.000 0.495 252 N N -0.150 118.381 118.700 -0.283 0.000 2.223 252 N HA -0.135 4.605 4.740 0.000 0.000 0.185 252 N C 1.961 177.319 175.510 -0.253 0.000 1.016 252 N CA 0.817 53.480 53.050 -0.645 0.000 0.863 252 N CB 0.246 37.867 38.487 -1.443 0.000 0.983 252 N HN 0.121 nan 8.380 nan 0.000 0.429 253 V N 1.671 121.661 119.914 0.127 0.000 2.343 253 V HA -0.256 3.864 4.120 0.000 0.000 0.247 253 V C 2.498 178.742 176.094 0.250 0.000 1.051 253 V CA 1.275 63.787 62.300 0.353 0.000 1.036 253 V CB -0.365 31.712 31.823 0.423 0.000 0.654 253 V HN 0.403 nan 8.190 nan 0.000 0.451 254 M N -1.575 118.210 119.600 0.309 0.000 2.108 254 M HA -0.224 4.256 4.480 0.000 0.000 0.261 254 M C 2.090 178.407 176.300 0.028 0.000 1.066 254 M CA 1.970 57.451 55.300 0.301 0.000 1.107 254 M CB -1.179 31.632 32.600 0.352 0.000 1.356 254 M HN 0.479 nan 8.290 nan 0.000 0.406 255 W N 0.445 121.493 121.300 -0.420 0.000 2.358 255 W HA -0.076 4.584 4.660 0.001 0.000 0.303 255 W C 2.806 179.258 176.519 -0.112 0.000 1.208 255 W CA 1.720 58.796 57.345 -0.449 0.000 1.274 255 W CB -1.076 28.042 29.460 -0.570 0.000 1.138 255 W HN 0.286 nan 8.180 nan 0.000 0.515 256 A N -0.551 122.360 122.820 0.151 0.000 1.933 256 A HA -0.191 4.129 4.320 0.000 0.000 0.218 256 A C 1.935 179.573 177.584 0.089 0.000 1.175 256 A CA 1.738 53.865 52.037 0.150 0.000 0.628 256 A CB -0.587 18.538 19.000 0.207 0.000 0.814 256 A HN 0.105 nan 8.150 nan 0.000 0.444 257 M N 0.620 120.227 119.600 0.012 0.000 2.492 257 M HA 0.021 4.501 4.480 0.000 0.000 0.262 257 M C 1.459 177.796 176.300 0.062 0.000 1.090 257 M CA 0.786 56.025 55.300 -0.102 0.000 1.110 257 M CB -1.375 30.883 32.600 -0.570 0.000 1.407 257 M HN 0.552 nan 8.290 nan 0.000 0.470 258 S N 0.212 116.013 115.700 0.168 0.000 2.641 258 S HA 0.101 4.571 4.470 0.000 0.000 0.261 258 S C 0.717 175.449 174.600 0.220 0.000 1.257 258 S CA -0.459 57.883 58.200 0.237 0.000 0.983 258 S CB 0.922 64.316 63.200 0.323 0.000 0.990 258 S HN 0.189 nan 8.310 nan 0.000 0.572 259 D N 0.135 120.686 120.400 0.251 0.000 2.371 259 D HA 0.031 4.671 4.640 0.000 0.000 0.221 259 D C 1.831 178.280 176.300 0.249 0.000 0.986 259 D CA 0.297 54.464 54.000 0.279 0.000 0.899 259 D CB -0.160 40.875 40.800 0.392 0.000 0.902 259 D HN 0.366 nan 8.370 nan 0.000 0.530 260 R N 0.296 120.938 120.500 0.236 0.000 2.127 260 R HA -0.051 4.289 4.340 0.000 0.000 0.238 260 R C 2.078 178.536 176.300 0.263 0.000 1.134 260 R CA 1.001 57.263 56.100 0.270 0.000 0.975 260 R CB -0.847 29.676 30.300 0.371 0.000 0.865 260 R HN 0.195 nan 8.270 nan 0.000 0.447 261 G N 1.188 110.130 108.800 0.237 0.000 2.679 261 G HA2 -0.026 3.934 3.960 0.000 0.000 0.212 261 G HA3 -0.026 3.934 3.960 0.000 0.000 0.212 261 G C 0.988 176.030 174.900 0.236 0.000 1.137 261 G CA 0.095 45.327 45.100 0.219 0.000 0.787 261 G HN 0.407 nan 8.290 nan 0.000 0.534 262 I N -1.917 118.803 120.570 0.250 0.000 2.925 262 I HA 0.354 4.524 4.170 0.000 0.000 0.296 262 I C -2.855 173.420 176.117 0.264 0.000 1.413 262 I CA -2.636 58.819 61.300 0.259 0.000 0.932 262 I CB 1.659 39.811 38.000 0.254 0.000 1.873 262 I HN -0.271 nan 8.210 nan 0.000 0.619 263 P HA 0.040 nan 4.420 nan 0.000 0.267 263 P C 0.590 178.047 177.300 0.263 0.000 1.200 263 P CA -0.086 63.132 63.100 0.197 0.000 0.772 263 P CB 1.091 32.835 31.700 0.072 0.000 0.855 264 R N 2.035 122.665 120.500 0.217 0.000 2.092 264 R HA 0.024 4.365 4.340 0.000 0.000 0.231 264 R C 0.421 176.873 176.300 0.252 0.000 1.119 264 R CA 1.525 57.800 56.100 0.291 0.000 0.970 264 R CB -0.383 30.056 30.300 0.232 0.000 0.864 264 R HN 0.535 nan 8.270 nan 0.000 0.440 265 S N -2.782 112.869 115.700 -0.082 0.000 2.567 265 S HA 0.228 4.698 4.470 0.000 0.000 0.270 265 S C -0.328 173.981 174.600 -0.485 0.000 1.152 265 S CA -0.861 57.110 58.200 -0.381 0.000 0.835 265 S CB 0.145 63.253 63.200 -0.154 0.000 1.115 265 S HN 0.110 nan 8.310 nan 0.000 0.459 266 Y N 2.072 122.008 120.300 -0.606 0.000 2.403 266 Y HA 0.066 4.616 4.550 0.000 0.000 0.291 266 Y C 2.378 177.938 175.900 -0.565 0.000 1.143 266 Y CA 1.111 58.729 58.100 -0.803 0.000 1.257 266 Y CB -0.345 37.270 38.460 -1.407 0.000 0.984 266 Y HN 0.565 nan 8.280 nan 0.000 0.550 267 R N -0.567 119.811 120.500 -0.203 0.000 2.189 267 R HA -0.041 4.299 4.340 0.000 0.000 0.218 267 R C 1.066 177.327 176.300 -0.066 0.000 1.074 267 R CA 1.499 57.526 56.100 -0.122 0.000 0.991 267 R CB -0.343 29.883 30.300 -0.124 0.000 0.883 267 R HN 0.319 nan 8.270 nan 0.000 0.457 268 T N -1.585 112.948 114.554 -0.035 0.000 3.313 268 T HA 0.372 4.722 4.350 0.000 0.000 0.263 268 T C 0.149 174.893 174.700 0.074 0.000 0.983 268 T CA -0.671 61.438 62.100 0.014 0.000 0.963 268 T CB -0.133 68.729 68.868 -0.010 0.000 1.141 268 T HN 0.067 nan 8.240 nan 0.000 0.526 269 M N -1.271 118.420 119.600 0.151 0.000 2.593 269 M HA 0.737 5.217 4.480 0.000 0.000 0.290 269 M C -1.255 175.238 176.300 0.321 0.000 1.244 269 M CA -0.922 54.509 55.300 0.218 0.000 0.857 269 M CB 2.129 34.853 32.600 0.208 0.000 1.738 269 M HN -0.137 nan 8.290 nan 0.000 0.461 270 E N 0.314 120.700 120.200 0.310 0.000 2.314 270 E HA 0.682 5.032 4.350 0.000 0.000 0.262 270 E C -0.346 176.351 176.600 0.162 0.000 1.093 270 E CA -0.694 55.830 56.400 0.206 0.000 0.908 270 E CB 1.768 31.519 29.700 0.085 0.000 1.091 270 E HN 0.857 nan 8.360 nan 0.000 0.425 271 G N 0.825 109.539 108.800 -0.143 0.000 2.542 271 G HA2 0.620 4.580 3.960 0.000 0.000 0.311 271 G HA3 0.620 4.580 3.960 0.000 0.000 0.311 271 G C -1.452 173.061 174.900 -0.646 0.000 1.298 271 G CA -0.449 44.514 45.100 -0.229 0.000 0.973 271 G HN 0.278 nan 8.290 nan 0.000 0.487 272 F N -0.030 119.843 119.950 -0.128 0.000 2.591 272 F HA 0.504 5.031 4.527 0.000 0.000 0.309 272 F C 1.125 176.822 175.800 -0.172 0.000 1.098 272 F CA -0.581 57.272 58.000 -0.245 0.000 0.937 272 F CB 2.660 41.472 39.000 -0.313 0.000 1.250 272 F HN 0.587 nan 8.300 nan 0.000 0.447 273 G N 0.936 109.776 108.800 0.066 0.000 2.623 273 G HA2 0.109 4.069 3.960 0.000 0.000 0.214 273 G HA3 0.109 4.069 3.960 0.000 0.000 0.214 273 G C 1.211 176.145 174.900 0.057 0.000 1.138 273 G CA 0.834 46.027 45.100 0.154 0.000 0.794 273 G HN 0.805 nan 8.290 nan 0.000 0.535 274 I N -1.067 119.466 120.570 -0.062 0.000 4.624 274 I HA -0.322 3.848 4.170 0.000 0.000 0.049 274 I C 0.520 176.491 176.117 -0.244 0.000 0.621 274 I CA 1.551 62.694 61.300 -0.263 0.000 0.836 274 I CB -1.208 36.526 38.000 -0.444 0.000 0.765 274 I HN 0.267 nan 8.210 nan 0.000 0.159 275 H N 2.271 121.329 119.070 -0.020 0.000 2.690 275 H HA 0.232 4.789 4.556 0.000 0.000 0.365 275 H C 0.078 175.310 175.328 -0.160 0.000 1.142 275 H CA 0.519 56.465 56.048 -0.170 0.000 1.417 275 H CB 0.337 29.829 29.762 -0.451 0.000 1.446 275 H HN 0.193 nan 8.280 nan 0.000 0.599 276 T N 3.986 118.484 114.554 -0.092 0.000 2.794 276 T HA 0.230 4.580 4.350 0.000 0.000 0.296 276 T C 0.307 174.911 174.700 -0.159 0.000 0.949 276 T CA -0.052 61.986 62.100 -0.103 0.000 1.101 276 T CB -0.112 68.649 68.868 -0.177 0.000 0.905 276 T HN 0.239 nan 8.240 nan 0.000 0.516 277 F N 1.503 121.413 119.950 -0.067 0.000 2.561 277 F HA 0.663 5.190 4.527 0.000 0.000 0.384 277 F C 1.096 176.860 175.800 -0.060 0.000 1.131 277 F CA -1.241 56.745 58.000 -0.024 0.000 1.133 277 F CB 1.215 40.188 39.000 -0.044 0.000 1.506 277 F HN 0.178 nan 8.300 nan 0.000 0.499 278 R N 0.561 121.129 120.500 0.114 0.000 2.686 278 R HA 0.599 4.939 4.340 0.000 0.000 0.283 278 R C -1.704 174.490 176.300 -0.177 0.000 0.978 278 R CA -0.835 55.202 56.100 -0.104 0.000 0.897 278 R CB 2.030 32.212 30.300 -0.198 0.000 1.192 278 R HN 0.424 nan 8.270 nan 0.000 0.457 279 L N 3.904 124.973 121.223 -0.257 0.000 2.309 279 L HA 0.538 4.878 4.340 0.000 0.000 0.282 279 L C -0.346 176.368 176.870 -0.259 0.000 1.036 279 L CA -0.868 53.825 54.840 -0.244 0.000 0.806 279 L CB 1.184 43.102 42.059 -0.235 0.000 1.220 279 L HN 0.365 nan 8.230 nan 0.000 0.429 280 I N 2.636 123.076 120.570 -0.218 0.000 2.436 280 I HA 0.304 4.475 4.170 0.000 0.000 0.289 280 I C -0.296 175.731 176.117 -0.150 0.000 1.010 280 I CA -0.659 60.515 61.300 -0.211 0.000 1.098 280 I CB 1.487 39.368 38.000 -0.197 0.000 1.266 280 I HN 0.636 nan 8.210 nan 0.000 0.434 281 N N 4.706 123.329 118.700 -0.127 0.000 2.538 281 N HA 0.432 5.172 4.740 0.000 0.000 0.292 281 N C 0.786 176.253 175.510 -0.071 0.000 1.262 281 N CA -0.399 52.597 53.050 -0.090 0.000 0.976 281 N CB 0.566 39.008 38.487 -0.076 0.000 1.161 281 N HN 0.519 nan 8.380 nan 0.000 0.598 282 A N -0.575 122.213 122.820 -0.054 0.000 1.972 282 A HA -0.192 4.129 4.320 0.000 0.000 0.219 282 A C 1.652 179.215 177.584 -0.036 0.000 1.169 282 A CA 1.708 53.720 52.037 -0.042 0.000 0.635 282 A CB -1.099 17.883 19.000 -0.031 0.000 0.810 282 A HN 0.887 nan 8.150 nan 0.000 0.446 283 E N -1.594 118.586 120.200 -0.034 0.000 2.427 283 E HA 0.289 4.640 4.350 0.000 0.000 0.196 283 E C 1.070 177.658 176.600 -0.020 0.000 1.028 283 E CA 0.529 56.914 56.400 -0.025 0.000 0.864 283 E CB -0.404 29.283 29.700 -0.023 0.000 0.813 283 E HN 0.804 nan 8.360 nan 0.000 0.514 284 G N 1.711 110.495 108.800 -0.026 0.000 2.132 284 G HA2 -0.357 3.603 3.960 0.000 0.000 0.234 284 G HA3 -0.357 3.603 3.960 0.000 0.000 0.234 284 G C 0.037 174.949 174.900 0.020 0.000 0.989 284 G CA 0.219 45.321 45.100 0.004 0.000 0.676 284 G HN 0.398 nan 8.290 nan 0.000 0.522 285 K N 0.529 120.901 120.400 -0.047 0.000 2.249 285 K HA 0.694 5.014 4.320 0.000 0.000 0.280 285 K C 0.438 176.894 176.600 -0.239 0.000 1.033 285 K CA 0.123 56.356 56.287 -0.091 0.000 0.946 285 K CB 0.767 33.218 32.500 -0.082 0.000 1.005 285 K HN 0.671 nan 8.250 nan 0.000 0.469 286 A N 3.315 125.881 122.820 -0.423 0.000 2.304 286 A HA 0.437 4.757 4.320 0.000 0.000 0.323 286 A C -0.858 176.396 177.584 -0.550 0.000 1.195 286 A CA -0.624 51.005 52.037 -0.681 0.000 0.826 286 A CB 1.258 19.416 19.000 -1.403 0.000 1.184 286 A HN 0.739 nan 8.150 nan 0.000 0.496 287 T N 2.542 116.818 114.554 -0.463 0.000 2.824 287 T HA 0.531 4.881 4.350 0.000 0.000 0.282 287 T C -0.581 173.898 174.700 -0.368 0.000 0.993 287 T CA -0.072 61.805 62.100 -0.372 0.000 0.967 287 T CB 0.337 69.082 68.868 -0.206 0.000 0.960 287 T HN 0.338 nan 8.240 nan 0.000 0.441 288 F N 2.227 122.078 119.950 -0.164 0.000 2.471 288 F HA 0.501 5.028 4.527 0.000 0.000 0.353 288 F C 0.611 176.290 175.800 -0.201 0.000 1.113 288 F CA -0.421 57.477 58.000 -0.169 0.000 1.262 288 F CB 0.529 39.448 39.000 -0.134 0.000 1.146 288 F HN 0.202 nan 8.300 nan 0.000 0.578 289 V N 4.481 124.354 119.914 -0.068 0.000 2.971 289 V HA 0.621 4.741 4.120 0.000 0.000 0.309 289 V C -1.087 174.785 176.094 -0.371 0.000 1.130 289 V CA -0.828 61.286 62.300 -0.310 0.000 0.964 289 V CB 2.242 33.670 31.823 -0.659 0.000 1.029 289 V HN 0.780 nan 8.190 nan 0.000 0.427 290 R N 4.713 125.028 120.500 -0.308 0.000 2.480 290 R HA 0.548 4.888 4.340 0.000 0.000 0.306 290 R C -1.686 174.513 176.300 -0.169 0.000 0.958 290 R CA -0.434 55.534 56.100 -0.220 0.000 0.861 290 R CB 1.984 32.266 30.300 -0.030 0.000 1.171 290 R HN 0.597 nan 8.270 nan 0.000 0.445 291 F N 2.427 122.385 119.950 0.014 0.000 2.385 291 F HA 0.372 4.899 4.527 0.000 0.000 0.336 291 F C 0.999 176.677 175.800 -0.205 0.000 1.100 291 F CA -0.059 57.914 58.000 -0.046 0.000 1.116 291 F CB 0.862 39.747 39.000 -0.190 0.000 1.166 291 F HN 0.219 nan 8.300 nan 0.000 0.511 292 H N 0.889 119.929 119.070 -0.050 0.000 2.895 292 H HA 0.257 4.813 4.556 0.000 0.000 0.373 292 H C -1.605 173.450 175.328 -0.454 0.000 1.174 292 H CA -1.023 54.868 56.048 -0.263 0.000 1.144 292 H CB 2.048 31.746 29.762 -0.107 0.000 1.793 292 H HN 0.682 nan 8.280 nan 0.000 0.551 293 W N 2.304 123.484 121.300 -0.200 0.000 2.475 293 W HA 0.309 4.969 4.660 0.000 0.000 0.320 293 W C -0.142 176.387 176.519 0.016 0.000 1.022 293 W CA -0.723 56.540 57.345 -0.136 0.000 1.240 293 W CB 1.723 30.898 29.460 -0.475 0.000 1.328 293 W HN 0.239 nan 8.180 nan 0.000 0.439 294 K N 5.868 126.516 120.400 0.413 0.000 2.240 294 K HA 0.387 4.707 4.320 0.000 0.000 0.271 294 K C -2.407 174.412 176.600 0.364 0.000 1.018 294 K CA -1.888 54.584 56.287 0.308 0.000 0.874 294 K CB 1.507 34.137 32.500 0.217 0.000 1.098 294 K HN 0.045 nan 8.250 nan 0.000 0.458 295 P HA 0.050 nan 4.420 nan 0.000 0.276 295 P C 0.327 177.644 177.300 0.028 0.000 1.253 295 P CA -0.052 63.120 63.100 0.120 0.000 0.766 295 P CB 0.744 32.526 31.700 0.136 0.000 0.845 296 L N 2.768 123.955 121.223 -0.060 0.000 2.376 296 L HA -0.042 4.299 4.340 0.000 0.000 0.219 296 L C 2.193 179.047 176.870 -0.026 0.000 1.133 296 L CA 0.984 55.819 54.840 -0.009 0.000 0.816 296 L CB -0.525 41.539 42.059 0.007 0.000 0.933 296 L HN 0.339 nan 8.230 nan 0.000 0.449 297 A N 0.054 122.833 122.820 -0.069 0.000 2.238 297 A HA 0.425 4.745 4.320 0.000 0.000 0.208 297 A C 1.213 178.796 177.584 -0.002 0.000 1.177 297 A CA 0.639 52.652 52.037 -0.040 0.000 0.804 297 A CB -0.429 18.532 19.000 -0.065 0.000 0.823 297 A HN 0.433 nan 8.150 nan 0.000 0.482 298 G N -0.615 108.197 108.800 0.020 0.000 2.707 298 G HA2 -0.113 3.847 3.960 0.000 0.000 0.686 298 G HA3 -0.113 3.847 3.960 0.000 0.000 0.686 298 G C -0.684 174.242 174.900 0.044 0.000 1.315 298 G CA -0.494 44.634 45.100 0.046 0.000 0.832 298 G HN 0.459 nan 8.290 nan 0.000 0.573 299 K N 0.106 120.535 120.400 0.048 0.000 2.172 299 K HA 0.747 5.067 4.320 0.000 0.000 0.276 299 K C 0.264 176.848 176.600 -0.026 0.000 1.013 299 K CA 0.199 56.497 56.287 0.019 0.000 0.913 299 K CB 1.797 34.297 32.500 -0.001 0.000 1.055 299 K HN 1.529 nan 8.250 nan 0.000 0.461 300 A N 1.557 124.354 122.820 -0.038 0.000 2.577 300 A HA 0.581 4.902 4.320 0.000 0.000 0.297 300 A C -1.202 176.428 177.584 0.077 0.000 1.060 300 A CA -0.685 51.290 52.037 -0.103 0.000 0.697 300 A CB 1.726 20.493 19.000 -0.390 0.000 1.281 300 A HN 0.497 nan 8.150 nan 0.000 0.402 301 S N 0.502 116.402 115.700 0.333 0.000 2.599 301 S HA 0.747 5.217 4.470 0.000 0.000 0.287 301 S C 0.004 174.910 174.600 0.509 0.000 1.105 301 S CA -0.615 57.819 58.200 0.390 0.000 0.899 301 S CB 1.210 64.635 63.200 0.375 0.000 1.100 301 S HN 0.659 nan 8.310 nan 0.000 0.482 302 L N 1.243 122.664 121.223 0.330 0.000 2.540 302 L HA 0.524 4.864 4.340 0.000 0.000 0.215 302 L C 0.032 177.018 176.870 0.193 0.000 1.204 302 L CA -0.728 54.234 54.840 0.203 0.000 0.841 302 L CB 0.008 42.096 42.059 0.049 0.000 1.420 302 L HN 0.479 nan 8.230 nan 0.000 0.519 303 V N -3.418 116.510 119.914 0.022 0.000 2.769 303 V HA 0.180 4.300 4.120 0.000 0.000 0.312 303 V C 0.608 176.645 176.094 -0.096 0.000 1.058 303 V CA -0.862 61.417 62.300 -0.035 0.000 0.952 303 V CB 1.604 33.375 31.823 -0.086 0.000 1.019 303 V HN 0.923 nan 8.190 nan 0.000 0.445 304 W N 2.044 123.210 121.300 -0.224 0.000 2.318 304 W HA -0.232 4.429 4.660 0.000 0.000 0.313 304 W C 1.713 178.072 176.519 -0.267 0.000 1.221 304 W CA 2.605 59.811 57.345 -0.232 0.000 1.266 304 W CB -0.049 29.257 29.460 -0.257 0.000 1.150 304 W HN 0.999 nan 8.180 nan 0.000 0.496 305 D N 0.165 120.283 120.400 -0.470 0.000 2.144 305 D HA -0.275 4.365 4.640 0.000 0.000 0.199 305 D C 2.164 178.095 176.300 -0.615 0.000 0.984 305 D CA 2.036 55.719 54.000 -0.529 0.000 0.834 305 D CB -0.457 40.281 40.800 -0.103 0.000 0.955 305 D HN 0.366 nan 8.370 nan 0.000 0.465 306 E N -0.288 119.396 120.200 -0.861 0.000 2.051 306 E HA -0.213 4.137 4.350 0.000 0.000 0.192 306 E C 2.022 178.282 176.600 -0.568 0.000 0.991 306 E CA 1.101 56.971 56.400 -0.884 0.000 0.799 306 E CB -0.226 28.860 29.700 -1.022 0.000 0.748 306 E HN 0.301 nan 8.360 nan 0.000 0.449 307 A N 1.156 123.670 122.820 -0.510 0.000 1.883 307 A HA -0.264 4.056 4.320 0.000 0.000 0.217 307 A C 2.187 179.449 177.584 -0.536 0.000 1.186 307 A CA 1.847 53.632 52.037 -0.419 0.000 0.624 307 A CB -0.711 18.153 19.000 -0.226 0.000 0.822 307 A HN 0.454 nan 8.150 nan 0.000 0.444 308 Q N -0.607 118.669 119.800 -0.874 0.000 2.079 308 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 308 Q C 2.171 177.897 176.000 -0.456 0.000 0.974 308 Q CA 1.733 57.046 55.803 -0.816 0.000 0.840 308 Q CB -0.130 27.837 28.738 -1.285 0.000 0.898 308 Q HN 0.672 nan 8.270 nan 0.000 0.430 309 K N 0.010 120.161 120.400 -0.415 0.000 2.148 309 K HA -0.143 4.178 4.320 0.000 0.000 0.204 309 K C 2.016 178.475 176.600 -0.235 0.000 1.050 309 K CA 0.667 56.801 56.287 -0.255 0.000 0.942 309 K CB -0.013 32.378 32.500 -0.180 0.000 0.724 309 K HN 0.171 nan 8.250 nan 0.000 0.446 310 L N 1.388 122.428 121.223 -0.305 0.000 2.201 310 L HA -0.119 4.221 4.340 0.000 0.000 0.212 310 L C 2.193 178.925 176.870 -0.229 0.000 1.105 310 L CA 2.084 56.739 54.840 -0.308 0.000 0.775 310 L CB -0.890 40.894 42.059 -0.458 0.000 0.913 310 L HN 0.330 nan 8.230 nan 0.000 0.440 311 T N -4.428 109.996 114.554 -0.217 0.000 2.881 311 T HA -0.068 4.282 4.350 0.000 0.000 0.270 311 T C 1.822 176.458 174.700 -0.107 0.000 1.068 311 T CA 1.027 63.041 62.100 -0.142 0.000 1.131 311 T CB -0.845 67.951 68.868 -0.121 0.000 0.871 311 T HN 0.369 nan 8.240 nan 0.000 0.479 312 G N 0.791 109.522 108.800 -0.115 0.000 2.510 312 G HA2 0.045 4.005 3.960 0.000 0.000 0.212 312 G HA3 0.045 4.005 3.960 0.000 0.000 0.212 312 G C 1.901 176.758 174.900 -0.072 0.000 1.151 312 G CA -0.327 44.724 45.100 -0.083 0.000 0.817 312 G HN 0.300 nan 8.290 nan 0.000 0.534 313 R N 0.178 120.626 120.500 -0.087 0.000 2.119 313 R HA 0.070 4.411 4.340 0.000 0.000 0.222 313 R C -0.217 176.057 176.300 -0.043 0.000 1.088 313 R CA 0.683 56.745 56.100 -0.063 0.000 0.984 313 R CB -0.063 30.193 30.300 -0.073 0.000 0.884 313 R HN 0.302 nan 8.270 nan 0.000 0.447 314 D N -0.431 119.937 120.400 -0.053 0.000 2.527 314 D HA 0.143 4.783 4.640 0.000 0.000 0.242 314 D C -2.109 174.191 176.300 -0.000 0.000 1.285 314 D CA -1.693 52.306 54.000 -0.001 0.000 0.886 314 D CB 1.294 42.138 40.800 0.073 0.000 1.402 314 D HN -0.147 nan 8.370 nan 0.000 0.528 315 P HA -0.013 nan 4.420 nan 0.000 0.225 315 P C 0.154 177.458 177.300 0.006 0.000 1.148 315 P CA 0.694 63.782 63.100 -0.020 0.000 0.779 315 P CB 0.488 32.172 31.700 -0.026 0.000 0.780 316 D N -1.544 118.870 120.400 0.024 0.000 2.388 316 D HA 0.063 4.704 4.640 0.000 0.000 0.221 316 D C 1.300 177.637 176.300 0.062 0.000 1.133 316 D CA -0.387 53.632 54.000 0.032 0.000 0.831 316 D CB -0.606 40.190 40.800 -0.006 0.000 0.962 316 D HN 0.128 nan 8.370 nan 0.000 0.502 317 F N 1.393 121.287 119.950 -0.092 0.000 2.091 317 F HA -0.271 4.257 4.527 0.000 0.000 0.299 317 F C 2.127 177.904 175.800 -0.038 0.000 1.103 317 F CA 1.920 59.862 58.000 -0.096 0.000 1.228 317 F CB 0.020 38.911 39.000 -0.180 0.000 0.984 317 F HN 0.111 nan 8.300 nan 0.000 0.477 318 H N -1.166 117.809 119.070 -0.160 0.000 2.389 318 H HA -0.104 4.452 4.556 0.000 0.000 0.299 318 H C 2.405 177.607 175.328 -0.210 0.000 1.081 318 H CA 0.919 56.722 56.048 -0.408 0.000 1.345 318 H CB -0.113 29.269 29.762 -0.633 0.000 1.393 318 H HN 0.191 nan 8.280 nan 0.000 0.520 319 R N 1.227 121.811 120.500 0.141 0.000 2.073 319 R HA -0.142 4.198 4.340 0.000 0.000 0.234 319 R C 2.445 178.842 176.300 0.162 0.000 1.134 319 R CA 1.391 57.628 56.100 0.229 0.000 0.952 319 R CB -0.051 30.370 30.300 0.202 0.000 0.850 319 R HN 0.197 nan 8.270 nan 0.000 0.433 320 R N 0.389 120.909 120.500 0.034 0.000 2.073 320 R HA -0.203 4.137 4.340 0.000 0.000 0.234 320 R C 2.200 178.503 176.300 0.005 0.000 1.134 320 R CA 2.088 58.193 56.100 0.008 0.000 0.952 320 R CB -0.210 30.061 30.300 -0.049 0.000 0.850 320 R HN 0.296 nan 8.270 nan 0.000 0.433 321 E N 0.555 120.651 120.200 -0.173 0.000 2.077 321 E HA -0.218 4.132 4.350 0.000 0.000 0.193 321 E C 1.905 178.481 176.600 -0.041 0.000 0.989 321 E CA 1.372 57.643 56.400 -0.216 0.000 0.800 321 E CB -0.389 29.017 29.700 -0.490 0.000 0.746 321 E HN 0.327 nan 8.360 nan 0.000 0.452 322 L N 0.156 121.398 121.223 0.032 0.000 1.994 322 L HA -0.086 4.254 4.340 0.000 0.000 0.208 322 L C 2.245 179.229 176.870 0.191 0.000 1.071 322 L CA 2.107 57.021 54.840 0.122 0.000 0.745 322 L CB -0.931 41.271 42.059 0.237 0.000 0.892 322 L HN 0.430 nan 8.230 nan 0.000 0.431 323 W N 0.893 122.233 121.300 0.066 0.000 2.335 323 W HA -0.218 4.442 4.660 0.000 0.000 0.311 323 W C 2.200 178.754 176.519 0.057 0.000 1.213 323 W CA 2.206 59.600 57.345 0.082 0.000 1.274 323 W CB -0.120 29.389 29.460 0.082 0.000 1.148 323 W HN 0.351 nan 8.180 nan 0.000 0.498 324 E N -0.110 120.283 120.200 0.321 0.000 2.152 324 E HA -0.113 4.237 4.350 0.000 0.000 0.192 324 E C 2.346 178.990 176.600 0.073 0.000 0.983 324 E CA 0.924 57.432 56.400 0.180 0.000 0.818 324 E CB -0.288 29.472 29.700 0.099 0.000 0.758 324 E HN 0.187 nan 8.360 nan 0.000 0.467 325 A N 1.303 124.162 122.820 0.066 0.000 1.902 325 A HA -0.179 4.142 4.320 0.000 0.000 0.217 325 A C 2.146 179.775 177.584 0.075 0.000 1.181 325 A CA 1.070 53.141 52.037 0.055 0.000 0.623 325 A CB -0.528 18.502 19.000 0.050 0.000 0.818 325 A HN 0.137 nan 8.150 nan 0.000 0.443 326 I N -0.488 120.140 120.570 0.097 0.000 2.252 326 I HA -0.226 3.944 4.170 0.000 0.000 0.245 326 I C 2.392 178.588 176.117 0.131 0.000 1.102 326 I CA 1.384 62.789 61.300 0.175 0.000 1.385 326 I CB -0.467 37.553 38.000 0.035 0.000 1.064 326 I HN 0.422 nan 8.210 nan 0.000 0.414 327 E N 0.900 121.120 120.200 0.034 0.000 2.204 327 E HA -0.166 4.184 4.350 0.000 0.000 0.195 327 E C 2.086 178.711 176.600 0.041 0.000 0.990 327 E CA 1.154 57.584 56.400 0.050 0.000 0.821 327 E CB -0.058 29.698 29.700 0.094 0.000 0.750 327 E HN 0.500 nan 8.360 nan 0.000 0.477 328 A N 0.093 122.918 122.820 0.009 0.000 2.218 328 A HA 0.254 4.574 4.320 0.000 0.000 0.209 328 A C 1.712 179.250 177.584 -0.077 0.000 1.168 328 A CA 0.826 52.848 52.037 -0.025 0.000 0.804 328 A CB -0.015 18.952 19.000 -0.055 0.000 0.834 328 A HN 0.310 nan 8.150 nan 0.000 0.482 329 G N -0.336 108.348 108.800 -0.194 0.000 2.141 329 G HA2 -0.192 3.768 3.960 0.000 0.000 0.242 329 G HA3 -0.192 3.768 3.960 0.000 0.000 0.242 329 G C -0.222 174.246 174.900 -0.719 0.000 0.982 329 G CA 0.247 44.944 45.100 -0.672 0.000 0.662 329 G HN 0.433 nan 8.290 nan 0.000 0.527 330 D N 0.826 121.048 120.400 -0.296 0.000 3.134 330 D HA 0.257 4.897 4.640 0.000 0.000 0.248 330 D C 0.896 177.181 176.300 -0.026 0.000 1.273 330 D CA -0.261 53.654 54.000 -0.141 0.000 0.904 330 D CB -0.644 40.160 40.800 0.006 0.000 1.089 330 D HN 0.471 nan 8.370 nan 0.000 0.478 331 F N 1.370 121.322 119.950 0.003 0.000 2.612 331 F HA 0.042 4.570 4.527 0.000 0.000 0.389 331 F C -1.382 174.389 175.800 -0.049 0.000 1.055 331 F CA -1.788 56.205 58.000 -0.012 0.000 1.232 331 F CB -0.111 38.891 39.000 0.003 0.000 1.044 331 F HN -0.115 nan 8.300 nan 0.000 0.560 332 P HA 0.031 nan 4.420 nan 0.000 0.262 332 P C -1.085 176.152 177.300 -0.105 0.000 1.199 332 P CA 0.385 63.466 63.100 -0.031 0.000 0.763 332 P CB 0.435 32.201 31.700 0.110 0.000 0.790 333 E N 2.701 122.702 120.200 -0.331 0.000 2.234 333 E HA 0.430 4.781 4.350 0.000 0.000 0.266 333 E C -1.004 175.342 176.600 -0.423 0.000 0.877 333 E CA -0.585 55.688 56.400 -0.211 0.000 0.758 333 E CB 1.482 31.154 29.700 -0.047 0.000 1.170 333 E HN 0.384 nan 8.360 nan 0.000 0.415 334 Y N 0.317 120.691 120.300 0.124 0.000 2.512 334 Y HA 0.288 4.838 4.550 0.000 0.000 0.348 334 Y C -0.142 175.988 175.900 0.383 0.000 0.990 334 Y CA -1.012 57.239 58.100 0.251 0.000 1.033 334 Y CB 1.997 40.597 38.460 0.233 0.000 1.259 334 Y HN 0.455 nan 8.280 nan 0.000 0.461 335 E N 2.304 122.823 120.200 0.532 0.000 2.156 335 E HA 0.380 4.730 4.350 0.000 0.000 0.279 335 E C -1.492 175.347 176.600 0.399 0.000 0.965 335 E CA -0.978 55.668 56.400 0.410 0.000 0.789 335 E CB 1.054 30.931 29.700 0.294 0.000 1.098 335 E HN 0.566 nan 8.360 nan 0.000 0.397 336 L N 4.256 125.632 121.223 0.256 0.000 2.367 336 L HA 0.487 4.827 4.340 0.000 0.000 0.275 336 L C -0.100 176.677 176.870 -0.155 0.000 1.129 336 L CA 0.591 55.303 54.840 -0.212 0.000 0.839 336 L CB 0.976 42.882 42.059 -0.255 0.000 1.133 336 L HN 0.556 nan 8.230 nan 0.000 0.453 337 G N 4.703 113.442 108.800 -0.102 0.000 2.571 337 G HA2 0.551 4.511 3.960 0.000 0.000 0.304 337 G HA3 0.551 4.511 3.960 0.000 0.000 0.304 337 G C -1.525 173.530 174.900 0.258 0.000 1.314 337 G CA -0.519 44.575 45.100 -0.010 0.000 0.975 337 G HN 0.478 nan 8.290 nan 0.000 0.485 338 F N 0.267 120.230 119.950 0.023 0.000 2.482 338 F HA 0.398 4.925 4.527 0.000 0.000 0.331 338 F C 0.386 176.187 175.800 0.002 0.000 1.115 338 F CA -0.977 57.040 58.000 0.030 0.000 0.955 338 F CB 2.544 41.544 39.000 -0.000 0.000 1.136 338 F HN 0.129 nan 8.300 nan 0.000 0.452 339 Q N 4.236 124.155 119.800 0.197 0.000 2.303 339 Q HA 0.494 4.834 4.340 0.000 0.000 0.257 339 Q C -1.103 174.933 176.000 0.060 0.000 0.941 339 Q CA -0.510 55.358 55.803 0.108 0.000 0.931 339 Q CB 2.207 31.019 28.738 0.123 0.000 1.215 339 Q HN 0.540 nan 8.270 nan 0.000 0.437 340 L N 4.301 125.568 121.223 0.073 0.000 2.313 340 L HA 0.572 4.912 4.340 0.000 0.000 0.283 340 L C -0.837 176.080 176.870 0.077 0.000 1.013 340 L CA -0.752 54.119 54.840 0.050 0.000 0.816 340 L CB 1.124 43.220 42.059 0.063 0.000 1.236 340 L HN 0.502 nan 8.230 nan 0.000 0.419 341 I N 4.735 125.363 120.570 0.096 0.000 2.447 341 I HA 0.410 4.580 4.170 0.000 0.000 0.287 341 I C -2.242 173.970 176.117 0.158 0.000 1.023 341 I CA -1.900 59.499 61.300 0.165 0.000 1.083 341 I CB 1.824 39.951 38.000 0.212 0.000 1.245 341 I HN 0.314 nan 8.210 nan 0.000 0.434 342 P HA 0.014 nan 4.420 nan 0.000 0.268 342 P C 0.654 177.993 177.300 0.064 0.000 1.208 342 P CA -0.049 63.071 63.100 0.033 0.000 0.777 342 P CB 0.912 32.631 31.700 0.032 0.000 0.875 343 E N 1.342 121.479 120.200 -0.105 0.000 2.118 343 E HA -0.252 4.098 4.350 0.000 0.000 0.195 343 E C 0.960 177.626 176.600 0.111 0.000 0.992 343 E CA 1.391 57.721 56.400 -0.118 0.000 0.804 343 E CB -0.020 29.539 29.700 -0.235 0.000 0.741 343 E HN 0.426 nan 8.360 nan 0.000 0.458 344 E N 0.642 120.884 120.200 0.070 0.000 2.409 344 E HA -0.129 4.221 4.350 0.000 0.000 0.198 344 E C 0.689 177.345 176.600 0.093 0.000 1.024 344 E CA 0.979 57.431 56.400 0.086 0.000 0.861 344 E CB 0.061 29.794 29.700 0.055 0.000 0.788 344 E HN 0.254 nan 8.360 nan 0.000 0.521 345 D N 0.155 120.618 120.400 0.104 0.000 2.342 345 D HA -0.012 4.628 4.640 0.000 0.000 0.221 345 D C 1.202 177.546 176.300 0.074 0.000 1.101 345 D CA 0.059 54.105 54.000 0.076 0.000 0.837 345 D CB 0.049 40.909 40.800 0.100 0.000 0.938 345 D HN 0.280 nan 8.370 nan 0.000 0.508 346 E N -0.081 120.117 120.200 -0.002 0.000 2.086 346 E HA -0.210 4.140 4.350 0.000 0.000 0.200 346 E C 0.421 176.724 176.600 -0.494 0.000 1.012 346 E CA 1.208 57.397 56.400 -0.352 0.000 0.812 346 E CB 0.001 29.285 29.700 -0.693 0.000 0.743 346 E HN 0.279 nan 8.360 nan 0.000 0.453 347 F N -0.504 119.464 119.950 0.031 0.000 2.668 347 F HA 0.269 4.796 4.527 0.000 0.000 0.297 347 F C 1.199 176.955 175.800 -0.073 0.000 1.124 347 F CA -0.245 57.747 58.000 -0.013 0.000 1.353 347 F CB 0.584 39.580 39.000 -0.007 0.000 0.992 347 F HN -0.185 nan 8.300 nan 0.000 0.524 348 K N -0.019 120.347 120.400 -0.056 0.000 2.404 348 K HA 0.158 4.478 4.320 0.000 0.000 0.194 348 K C -0.251 175.988 176.600 -0.603 0.000 1.023 348 K CA 0.173 56.271 56.287 -0.315 0.000 1.094 348 K CB 0.257 32.501 32.500 -0.427 0.000 0.841 348 K HN 0.142 nan 8.250 nan 0.000 0.523 349 F N 0.548 120.350 119.950 -0.246 0.000 2.518 349 F HA 0.103 4.630 4.527 0.000 0.000 0.338 349 F C 1.113 176.732 175.800 -0.302 0.000 1.065 349 F CA -1.185 56.580 58.000 -0.392 0.000 1.012 349 F CB 0.732 39.136 39.000 -0.994 0.000 1.297 349 F HN -0.019 nan 8.300 nan 0.000 0.489 350 D N -0.553 119.860 120.400 0.021 0.000 2.336 350 D HA 0.092 4.732 4.640 0.000 0.000 0.228 350 D C -0.529 175.872 176.300 0.167 0.000 1.120 350 D CA 0.072 54.130 54.000 0.096 0.000 0.839 350 D CB -0.865 40.016 40.800 0.136 0.000 0.932 350 D HN 0.232 nan 8.370 nan 0.000 0.509 351 F N -1.780 118.251 119.950 0.136 0.000 2.611 351 F HA 0.552 5.079 4.527 0.000 0.000 0.324 351 F C -0.313 175.480 175.800 -0.012 0.000 1.061 351 F CA -1.712 56.291 58.000 0.005 0.000 0.954 351 F CB 0.979 39.933 39.000 -0.076 0.000 1.301 351 F HN -0.338 nan 8.300 nan 0.000 0.482 352 D N 1.695 122.112 120.400 0.029 0.000 2.277 352 D HA 0.217 4.857 4.640 0.000 0.000 0.249 352 D C 0.994 177.238 176.300 -0.093 0.000 1.134 352 D CA -0.063 53.900 54.000 -0.062 0.000 0.863 352 D CB 1.510 42.285 40.800 -0.041 0.000 1.143 352 D HN 0.736 nan 8.370 nan 0.000 0.458 353 L N 3.436 124.539 121.223 -0.200 0.000 2.191 353 L HA -0.125 4.215 4.340 0.000 0.000 0.212 353 L C 2.019 178.752 176.870 -0.229 0.000 1.103 353 L CA 0.691 55.386 54.840 -0.243 0.000 0.769 353 L CB -0.099 41.676 42.059 -0.473 0.000 0.908 353 L HN 0.449 nan 8.230 nan 0.000 0.438 354 L N -0.831 120.278 121.223 -0.189 0.000 2.599 354 L HA 0.034 4.374 4.340 0.000 0.000 0.230 354 L C 0.459 177.240 176.870 -0.148 0.000 1.141 354 L CA -0.092 54.699 54.840 -0.082 0.000 0.877 354 L CB -0.322 41.801 42.059 0.106 0.000 1.009 354 L HN 0.115 nan 8.230 nan 0.000 0.447 355 D N 1.732 121.805 120.400 -0.545 0.000 2.347 355 D HA 0.112 4.752 4.640 0.000 0.000 0.235 355 D C -1.580 174.489 176.300 -0.386 0.000 1.149 355 D CA -2.308 51.120 54.000 -0.954 0.000 0.850 355 D CB 1.547 41.542 40.800 -1.342 0.000 1.061 355 D HN -0.071 nan 8.370 nan 0.000 0.487 356 P HA -0.038 nan 4.420 nan 0.000 0.242 356 P C 0.831 178.041 177.300 -0.151 0.000 1.197 356 P CA 0.575 63.608 63.100 -0.113 0.000 0.765 356 P CB -0.021 31.698 31.700 0.032 0.000 0.936 357 T N -4.446 110.008 114.554 -0.165 0.000 3.107 357 T HA 0.149 4.499 4.350 0.000 0.000 0.249 357 T C 0.743 175.368 174.700 -0.124 0.000 1.096 357 T CA -0.061 61.960 62.100 -0.132 0.000 1.012 357 T CB -0.183 68.649 68.868 -0.060 0.000 0.977 357 T HN -0.151 nan 8.240 nan 0.000 0.527 358 K N 2.194 122.430 120.400 -0.274 0.000 2.244 358 K HA 0.563 4.884 4.320 0.000 0.000 0.260 358 K C -0.331 176.103 176.600 -0.277 0.000 0.951 358 K CA -0.868 55.143 56.287 -0.459 0.000 0.826 358 K CB 2.079 34.215 32.500 -0.606 0.000 1.108 358 K HN 0.316 nan 8.250 nan 0.000 0.433 359 L N -0.103 121.090 121.223 -0.050 0.000 2.387 359 L HA 0.658 4.999 4.340 0.000 0.000 0.266 359 L C -0.077 176.622 176.870 -0.286 0.000 1.059 359 L CA -0.452 54.310 54.840 -0.130 0.000 0.801 359 L CB 0.410 42.468 42.059 -0.001 0.000 1.223 359 L HN 0.448 nan 8.230 nan 0.000 0.456 360 I N 1.689 122.181 120.570 -0.129 0.000 2.330 360 I HA 0.375 4.545 4.170 0.000 0.000 0.286 360 I C -2.127 174.015 176.117 0.042 0.000 1.025 360 I CA -1.737 59.539 61.300 -0.040 0.000 1.197 360 I CB 1.255 39.257 38.000 0.002 0.000 1.358 360 I HN 0.466 nan 8.210 nan 0.000 0.467 361 P HA 0.037 nan 4.420 nan 0.000 0.264 361 P C 0.290 177.660 177.300 0.116 0.000 1.193 361 P CA 0.075 63.223 63.100 0.080 0.000 0.763 361 P CB 0.605 32.341 31.700 0.059 0.000 0.810 362 E N 1.687 121.960 120.200 0.121 0.000 2.268 362 E HA -0.186 4.164 4.350 0.000 0.000 0.195 362 E C 1.388 178.040 176.600 0.088 0.000 0.995 362 E CA 0.726 57.185 56.400 0.097 0.000 0.836 362 E CB -0.002 29.750 29.700 0.086 0.000 0.763 362 E HN 0.500 nan 8.360 nan 0.000 0.491 363 E N 0.397 120.651 120.200 0.090 0.000 2.153 363 E HA -0.137 4.213 4.350 0.000 0.000 0.194 363 E C 2.030 178.693 176.600 0.105 0.000 0.988 363 E CA 0.774 57.224 56.400 0.083 0.000 0.811 363 E CB 0.082 29.825 29.700 0.071 0.000 0.746 363 E HN 0.367 nan 8.360 nan 0.000 0.466 364 L N -0.473 120.836 121.223 0.144 0.000 2.221 364 L HA 0.061 4.402 4.340 0.000 0.000 0.202 364 L C 0.595 177.588 176.870 0.205 0.000 1.074 364 L CA 0.395 55.357 54.840 0.204 0.000 0.795 364 L CB 0.458 42.717 42.059 0.333 0.000 0.960 364 L HN -0.209 nan 8.230 nan 0.000 0.458 365 V N 1.502 121.517 119.914 0.167 0.000 2.462 365 V HA 0.307 4.428 4.120 0.000 0.000 0.288 365 V C -2.361 173.785 176.094 0.088 0.000 1.020 365 V CA -1.433 60.950 62.300 0.139 0.000 0.857 365 V CB 1.643 33.547 31.823 0.135 0.000 1.013 365 V HN -0.043 nan 8.190 nan 0.000 0.431 366 P HA 0.165 nan 4.420 nan 0.000 0.272 366 P C -0.329 176.974 177.300 0.005 0.000 1.223 366 P CA 0.012 63.133 63.100 0.036 0.000 0.784 366 P CB 1.191 32.915 31.700 0.041 0.000 0.923 367 V N 3.129 123.011 119.914 -0.053 0.000 2.408 367 V HA 0.099 4.220 4.120 0.000 0.000 0.267 367 V C 0.914 176.996 176.094 -0.019 0.000 1.047 367 V CA -0.021 62.216 62.300 -0.105 0.000 0.937 367 V CB 0.161 31.822 31.823 -0.270 0.000 0.999 367 V HN 0.548 nan 8.190 nan 0.000 0.472 368 Q N 5.556 125.370 119.800 0.023 0.000 2.288 368 Q HA 0.282 4.622 4.340 0.000 0.000 0.258 368 Q C -0.103 175.888 176.000 -0.015 0.000 0.957 368 Q CA -0.587 55.230 55.803 0.023 0.000 0.919 368 Q CB 0.619 29.384 28.738 0.044 0.000 1.185 368 Q HN 0.630 nan 8.270 nan 0.000 0.408 369 R N 3.066 123.583 120.500 0.028 0.000 2.351 369 R HA 0.084 4.424 4.340 0.000 0.000 0.318 369 R C 0.184 176.506 176.300 0.037 0.000 1.055 369 R CA -0.215 55.933 56.100 0.081 0.000 0.968 369 R CB 0.814 31.248 30.300 0.223 0.000 0.974 369 R HN 0.510 nan 8.270 nan 0.000 0.439 370 V N 1.694 121.491 119.914 -0.196 0.000 3.484 370 V HA 0.270 4.390 4.120 0.000 0.000 0.252 370 V C 0.757 176.540 176.094 -0.519 0.000 1.282 370 V CA 1.043 63.134 62.300 -0.350 0.000 1.104 370 V CB 1.128 32.500 31.823 -0.752 0.000 0.868 370 V HN 1.015 nan 8.190 nan 0.000 0.457 371 G N -0.344 108.000 108.800 -0.759 0.000 2.488 371 G HA2 0.497 4.457 3.960 0.000 0.000 0.301 371 G HA3 0.497 4.457 3.960 0.000 0.000 0.301 371 G C -1.800 172.720 174.900 -0.633 0.000 1.339 371 G CA -0.558 43.905 45.100 -1.062 0.000 0.803 371 G HN 0.022 nan 8.290 nan 0.000 0.482 372 K N -0.485 119.647 120.400 -0.446 0.000 2.371 372 K HA 0.741 5.062 4.320 0.000 0.000 0.251 372 K C -0.855 175.816 176.600 0.120 0.000 0.934 372 K CA -0.799 55.503 56.287 0.025 0.000 0.798 372 K CB 2.089 34.658 32.500 0.116 0.000 1.204 372 K HN 0.609 nan 8.250 nan 0.000 0.427 373 M N 4.577 124.357 119.600 0.300 0.000 2.311 373 M HA 0.426 4.906 4.480 0.000 0.000 0.325 373 M C -1.795 174.490 176.300 -0.026 0.000 1.061 373 M CA -0.752 54.651 55.300 0.172 0.000 0.957 373 M CB 1.750 34.463 32.600 0.189 0.000 1.646 373 M HN 0.355 nan 8.290 nan 0.000 0.434 374 V N 5.735 125.466 119.914 -0.305 0.000 2.444 374 V HA 0.447 4.567 4.120 0.000 0.000 0.294 374 V C -0.943 175.002 176.094 -0.248 0.000 1.022 374 V CA -0.822 61.304 62.300 -0.289 0.000 0.850 374 V CB 1.688 33.212 31.823 -0.498 0.000 0.992 374 V HN 0.675 nan 8.190 nan 0.000 0.426 375 L N 5.943 127.106 121.223 -0.101 0.000 2.255 375 L HA 0.486 4.827 4.340 0.000 0.000 0.289 375 L C 0.746 177.485 176.870 -0.218 0.000 1.046 375 L CA 0.155 54.932 54.840 -0.104 0.000 0.816 375 L CB 0.970 43.024 42.059 -0.009 0.000 1.197 375 L HN 0.874 nan 8.230 nan 0.000 0.427 376 N N 2.191 120.682 118.700 -0.348 0.000 2.160 376 N HA 0.140 4.880 4.740 0.000 0.000 0.226 376 N C 0.092 175.376 175.510 -0.376 0.000 1.256 376 N CA -0.242 52.336 53.050 -0.786 0.000 0.890 376 N CB 0.785 38.561 38.487 -1.186 0.000 1.116 376 N HN 0.415 nan 8.380 nan 0.000 0.517 377 R N 0.231 120.633 120.500 -0.164 0.000 2.535 377 R HA 0.320 4.660 4.340 0.000 0.000 0.274 377 R C -1.296 174.943 176.300 -0.101 0.000 1.090 377 R CA -0.558 55.472 56.100 -0.117 0.000 0.930 377 R CB 1.314 31.558 30.300 -0.093 0.000 1.223 377 R HN 0.043 nan 8.270 nan 0.000 0.441 378 N N 3.249 121.775 118.700 -0.290 0.000 2.483 378 N HA 0.311 5.052 4.740 0.000 0.000 0.269 378 N C -2.300 173.145 175.510 -0.108 0.000 1.209 378 N CA -1.265 51.492 53.050 -0.487 0.000 0.969 378 N CB 0.707 38.253 38.487 -1.568 0.000 1.173 378 N HN 0.336 nan 8.380 nan 0.000 0.475 379 P HA 0.120 nan 4.420 nan 0.000 0.273 379 P C 0.026 177.501 177.300 0.292 0.000 1.250 379 P CA -0.098 63.191 63.100 0.315 0.000 0.793 379 P CB 1.127 33.054 31.700 0.378 0.000 1.011 380 D N -0.865 119.676 120.400 0.235 0.000 2.201 380 D HA -0.026 4.614 4.640 0.000 0.000 0.209 380 D C 0.478 176.943 176.300 0.275 0.000 0.961 380 D CA 1.391 55.527 54.000 0.225 0.000 0.861 380 D CB 0.189 41.066 40.800 0.128 0.000 0.997 380 D HN 0.399 nan 8.370 nan 0.000 0.486 381 N N -0.173 118.681 118.700 0.257 0.000 2.461 381 N HA 0.000 4.740 4.740 0.000 0.000 0.284 381 N C 0.115 175.822 175.510 0.328 0.000 1.049 381 N CA -0.342 52.874 53.050 0.277 0.000 0.889 381 N CB 1.460 40.077 38.487 0.218 0.000 1.365 381 N HN -0.169 nan 8.380 nan 0.000 0.499 382 F N 4.348 124.443 119.950 0.242 0.000 2.065 382 F HA -0.216 4.312 4.527 0.000 0.000 0.298 382 F C 1.692 177.616 175.800 0.206 0.000 1.112 382 F CA 1.688 59.831 58.000 0.238 0.000 1.212 382 F CB -0.158 38.958 39.000 0.194 0.000 0.975 382 F HN 0.615 nan 8.300 nan 0.000 0.476 383 F N 0.778 120.956 119.950 0.380 0.000 2.069 383 F HA -0.172 4.356 4.527 0.000 0.000 0.298 383 F C 2.324 178.177 175.800 0.089 0.000 1.113 383 F CA 1.869 60.013 58.000 0.240 0.000 1.214 383 F CB -0.948 38.171 39.000 0.200 0.000 0.978 383 F HN -0.000 nan 8.300 nan 0.000 0.474 384 A N -0.393 122.546 122.820 0.199 0.000 1.933 384 A HA -0.165 4.155 4.320 0.000 0.000 0.218 384 A C 2.059 179.569 177.584 -0.122 0.000 1.175 384 A CA 2.043 54.106 52.037 0.044 0.000 0.628 384 A CB -0.645 18.443 19.000 0.147 0.000 0.814 384 A HN 0.613 nan 8.150 nan 0.000 0.444 385 E N -1.473 118.665 120.200 -0.102 0.000 2.175 385 E HA -0.052 4.298 4.350 0.000 0.000 0.195 385 E C 1.947 178.459 176.600 -0.146 0.000 0.934 385 E CA 0.419 56.702 56.400 -0.196 0.000 0.870 385 E CB -0.127 29.502 29.700 -0.120 0.000 0.838 385 E HN 0.554 nan 8.360 nan 0.000 0.474 386 N N 1.387 119.991 118.700 -0.160 0.000 2.182 386 N HA -0.159 4.582 4.740 0.000 0.000 0.186 386 N C 1.822 177.158 175.510 -0.290 0.000 1.036 386 N CA 1.339 54.247 53.050 -0.237 0.000 0.850 386 N CB 0.072 38.046 38.487 -0.855 0.000 1.010 386 N HN -0.069 nan 8.380 nan 0.000 0.432 387 E N 0.868 120.821 120.200 -0.412 0.000 2.085 387 E HA -0.123 4.228 4.350 0.000 0.000 0.194 387 E C 1.710 178.121 176.600 -0.315 0.000 0.994 387 E CA 1.544 57.774 56.400 -0.283 0.000 0.801 387 E CB -0.184 29.350 29.700 -0.277 0.000 0.743 387 E HN 0.504 nan 8.360 nan 0.000 0.453 388 Q N -0.353 119.193 119.800 -0.424 0.000 2.451 388 Q HA 0.225 4.566 4.340 0.000 0.000 0.206 388 Q C 0.081 175.967 176.000 -0.190 0.000 0.947 388 Q CA 0.238 55.851 55.803 -0.317 0.000 0.937 388 Q CB 0.383 28.911 28.738 -0.351 0.000 1.025 388 Q HN 0.222 nan 8.270 nan 0.000 0.511 389 A N 1.150 123.879 122.820 -0.152 0.000 2.498 389 A HA 0.458 4.778 4.320 0.000 0.000 0.239 389 A C -0.153 177.329 177.584 -0.170 0.000 1.068 389 A CA 0.195 52.124 52.037 -0.181 0.000 0.766 389 A CB 0.269 19.222 19.000 -0.079 0.000 1.003 389 A HN 0.266 nan 8.150 nan 0.000 0.497 390 A N 2.200 124.865 122.820 -0.258 0.000 2.340 390 A HA 0.694 5.014 4.320 0.000 0.000 0.297 390 A C -0.779 176.703 177.584 -0.170 0.000 1.195 390 A CA -0.421 51.535 52.037 -0.134 0.000 0.769 390 A CB 0.304 19.236 19.000 -0.113 0.000 1.163 390 A HN 0.640 nan 8.150 nan 0.000 0.472 391 F N 1.018 120.967 119.950 -0.001 0.000 2.458 391 F HA 0.666 5.193 4.527 0.000 0.000 0.330 391 F C 0.365 176.117 175.800 -0.080 0.000 1.082 391 F CA -0.155 57.817 58.000 -0.046 0.000 0.995 391 F CB 1.941 40.862 39.000 -0.131 0.000 1.170 391 F HN 0.756 nan 8.300 nan 0.000 0.478 392 H N 3.064 121.971 119.070 -0.271 0.000 3.026 392 H HA 0.295 4.852 4.556 0.000 0.000 0.352 392 H C -2.476 172.478 175.328 -0.623 0.000 1.090 392 H CA -1.876 53.775 56.048 -0.661 0.000 1.268 392 H CB 2.723 31.988 29.762 -0.828 0.000 1.816 392 H HN 0.174 nan 8.280 nan 0.000 0.518 393 P HA -0.033 nan 4.420 nan 0.000 0.223 393 P C 1.239 178.379 177.300 -0.265 0.000 1.151 393 P CA 1.489 64.256 63.100 -0.555 0.000 0.787 393 P CB 0.090 31.522 31.700 -0.447 0.000 0.788 394 G N -0.885 107.538 108.800 -0.629 0.000 2.509 394 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 394 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 394 G C 0.512 175.627 174.900 0.358 0.000 1.124 394 G CA 0.066 45.187 45.100 0.035 0.000 0.776 394 G HN 0.432 nan 8.290 nan 0.000 0.547 395 H N 0.855 120.037 119.070 0.186 0.000 3.224 395 H HA 0.325 4.881 4.556 0.000 0.000 0.265 395 H C 0.551 175.976 175.328 0.162 0.000 1.461 395 H CA -0.740 55.392 56.048 0.139 0.000 1.509 395 H CB -0.162 29.649 29.762 0.082 0.000 1.686 395 H HN 0.372 nan 8.280 nan 0.000 0.514 396 I N -0.276 120.418 120.570 0.205 0.000 3.100 396 I HA 0.687 4.857 4.170 0.000 0.000 0.312 396 I C -0.112 175.993 176.117 -0.021 0.000 1.063 396 I CA -1.429 59.918 61.300 0.078 0.000 1.031 396 I CB 1.900 39.834 38.000 -0.111 0.000 1.243 396 I HN 0.119 nan 8.210 nan 0.000 0.483 397 V N -2.151 117.736 119.914 -0.046 0.000 3.102 397 V HA 0.669 4.789 4.120 0.000 0.000 0.312 397 V C -2.836 173.355 176.094 0.162 0.000 1.135 397 V CA -2.597 59.735 62.300 0.054 0.000 1.022 397 V CB 0.992 32.837 31.823 0.036 0.000 1.056 397 V HN 0.634 nan 8.190 nan 0.000 0.436 398 P HA 0.343 nan 4.420 nan 0.000 0.262 398 P C 0.921 178.218 177.300 -0.005 0.000 1.182 398 P CA 1.983 65.158 63.100 0.126 0.000 0.761 398 P CB 0.587 32.339 31.700 0.087 0.000 0.795 399 G N 1.724 110.472 108.800 -0.086 0.000 2.218 399 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 399 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 399 G C -0.283 174.527 174.900 -0.150 0.000 0.994 399 G CA -0.401 44.629 45.100 -0.116 0.000 0.637 399 G HN 0.461 nan 8.290 nan 0.000 0.505 400 L N 0.167 121.312 121.223 -0.130 0.000 2.354 400 L HA 0.892 5.233 4.340 0.000 0.000 0.264 400 L C -0.804 176.006 176.870 -0.100 0.000 1.008 400 L CA -1.055 53.689 54.840 -0.161 0.000 0.819 400 L CB 2.208 44.099 42.059 -0.279 0.000 1.339 400 L HN 0.091 nan 8.230 nan 0.000 0.420 401 D N -0.206 120.123 120.400 -0.119 0.000 2.639 401 D HA 0.457 5.098 4.640 0.000 0.000 0.271 401 D C -1.199 175.048 176.300 -0.088 0.000 1.254 401 D CA -0.342 53.557 54.000 -0.169 0.000 0.810 401 D CB 2.089 42.854 40.800 -0.059 0.000 1.351 401 D HN 0.116 nan 8.370 nan 0.000 0.427 402 F N -0.116 119.972 119.950 0.229 0.000 2.348 402 F HA 0.472 4.999 4.527 0.000 0.000 0.308 402 F C 1.557 177.391 175.800 0.056 0.000 1.175 402 F CA -0.239 57.834 58.000 0.121 0.000 1.080 402 F CB 1.134 40.178 39.000 0.072 0.000 1.341 402 F HN 0.189 nan 8.300 nan 0.000 0.518 403 T N -3.150 111.509 114.554 0.174 0.000 2.858 403 T HA 0.297 4.647 4.350 0.000 0.000 0.285 403 T C 0.082 174.816 174.700 0.056 0.000 1.052 403 T CA -0.994 61.178 62.100 0.120 0.000 1.009 403 T CB 1.199 70.105 68.868 0.063 0.000 1.241 403 T HN 0.356 nan 8.240 nan 0.000 0.542 404 N N 1.112 119.848 118.700 0.059 0.000 2.521 404 N HA 0.032 4.772 4.740 0.000 0.000 0.188 404 N C 0.138 175.654 175.510 0.010 0.000 1.146 404 N CA 0.160 53.230 53.050 0.032 0.000 0.893 404 N CB -0.477 38.046 38.487 0.060 0.000 0.975 404 N HN 0.705 nan 8.380 nan 0.000 0.451 405 D N 2.245 122.636 120.400 -0.015 0.000 2.662 405 D HA -0.086 4.555 4.640 0.000 0.000 0.237 405 D C -1.395 174.896 176.300 -0.015 0.000 1.154 405 D CA -0.878 53.136 54.000 0.023 0.000 0.861 405 D CB 1.232 41.992 40.800 -0.068 0.000 1.146 405 D HN 0.152 nan 8.370 nan 0.000 0.518 406 P HA -0.099 nan 4.420 nan 0.000 0.229 406 P C 1.505 178.818 177.300 0.020 0.000 1.160 406 P CA 0.140 63.253 63.100 0.022 0.000 0.777 406 P CB 0.402 32.105 31.700 0.005 0.000 0.814 407 L N -0.314 120.937 121.223 0.047 0.000 2.102 407 L HA 0.034 4.374 4.340 0.000 0.000 0.202 407 L C 2.331 179.117 176.870 -0.140 0.000 1.076 407 L CA 1.235 56.102 54.840 0.045 0.000 0.761 407 L CB -1.502 40.674 42.059 0.195 0.000 0.921 407 L HN -0.171 nan 8.230 nan 0.000 0.444 408 L N -0.674 120.288 121.223 -0.436 0.000 2.046 408 L HA -0.176 4.164 4.340 0.000 0.000 0.208 408 L C 2.413 179.034 176.870 -0.415 0.000 1.077 408 L CA 1.690 56.073 54.840 -0.761 0.000 0.747 408 L CB -0.850 40.509 42.059 -1.166 0.000 0.896 408 L HN 0.343 nan 8.230 nan 0.000 0.432 409 Q N -0.057 119.572 119.800 -0.284 0.000 2.096 409 Q HA -0.162 4.179 4.340 0.000 0.000 0.204 409 Q C 2.090 178.010 176.000 -0.134 0.000 0.982 409 Q CA 1.839 57.517 55.803 -0.208 0.000 0.850 409 Q CB -0.765 27.902 28.738 -0.118 0.000 0.901 409 Q HN 0.703 nan 8.270 nan 0.000 0.422 410 G N 0.495 109.247 108.800 -0.080 0.000 2.408 410 G HA2 -0.206 3.755 3.960 0.000 0.000 0.215 410 G HA3 -0.206 3.755 3.960 0.000 0.000 0.215 410 G C 1.500 176.420 174.900 0.032 0.000 1.156 410 G CA 0.219 45.316 45.100 -0.004 0.000 0.793 410 G HN 0.246 nan 8.290 nan 0.000 0.535 411 R N 0.019 120.495 120.500 -0.041 0.000 2.133 411 R HA -0.067 4.273 4.340 0.000 0.000 0.247 411 R C 2.528 178.907 176.300 0.131 0.000 1.151 411 R CA 1.170 57.300 56.100 0.049 0.000 0.971 411 R CB -0.581 29.715 30.300 -0.006 0.000 0.866 411 R HN 0.346 nan 8.270 nan 0.000 0.447 412 L N -0.462 120.739 121.223 -0.037 0.000 2.129 412 L HA -0.227 4.113 4.340 0.000 0.000 0.212 412 L C 2.324 179.337 176.870 0.238 0.000 1.087 412 L CA 1.297 56.130 54.840 -0.011 0.000 0.757 412 L CB -0.480 41.432 42.059 -0.244 0.000 0.896 412 L HN 0.188 nan 8.230 nan 0.000 0.434 413 F N -0.096 119.893 119.950 0.064 0.000 2.187 413 F HA -0.146 4.382 4.527 0.000 0.000 0.295 413 F C 2.758 178.603 175.800 0.074 0.000 1.091 413 F CA 1.423 59.457 58.000 0.056 0.000 1.308 413 F CB -0.183 38.828 39.000 0.017 0.000 1.030 413 F HN -0.067 nan 8.300 nan 0.000 0.487 414 S N -0.510 115.229 115.700 0.065 0.000 2.368 414 S HA -0.216 4.254 4.470 0.000 0.000 0.224 414 S C 1.971 176.473 174.600 -0.164 0.000 1.029 414 S CA 1.520 59.645 58.200 -0.124 0.000 0.988 414 S CB -0.805 62.343 63.200 -0.086 0.000 0.838 414 S HN 0.577 nan 8.310 nan 0.000 0.462 415 Y N 1.154 121.444 120.300 -0.017 0.000 2.509 415 Y HA 0.035 4.585 4.550 0.000 0.000 0.293 415 Y C 2.742 178.361 175.900 -0.468 0.000 1.133 415 Y CA 0.825 58.899 58.100 -0.044 0.000 1.283 415 Y CB -0.436 38.300 38.460 0.461 0.000 1.001 415 Y HN 0.263 nan 8.280 nan 0.000 0.555 416 T N -0.830 113.418 114.554 -0.511 0.000 2.939 416 T HA -0.138 4.213 4.350 0.000 0.000 0.254 416 T C 1.367 175.871 174.700 -0.327 0.000 1.041 416 T CA 1.317 63.169 62.100 -0.414 0.000 1.142 416 T CB -0.303 68.377 68.868 -0.312 0.000 0.874 416 T HN 0.308 nan 8.240 nan 0.000 0.452 417 D N 1.066 121.212 120.400 -0.422 0.000 2.104 417 D HA -0.133 4.507 4.640 0.000 0.000 0.194 417 D C 2.253 178.397 176.300 -0.260 0.000 0.994 417 D CA 1.603 55.369 54.000 -0.390 0.000 0.830 417 D CB -0.477 39.911 40.800 -0.686 0.000 0.959 417 D HN 0.224 nan 8.370 nan 0.000 0.452 418 T N -1.147 113.252 114.554 -0.258 0.000 2.881 418 T HA -0.164 4.186 4.350 0.000 0.000 0.270 418 T C 1.701 176.277 174.700 -0.207 0.000 1.068 418 T CA 1.418 63.403 62.100 -0.192 0.000 1.131 418 T CB -0.213 68.543 68.868 -0.187 0.000 0.871 418 T HN 0.161 nan 8.240 nan 0.000 0.479 419 Q N 0.037 119.643 119.800 -0.324 0.000 2.436 419 Q HA 0.118 4.458 4.340 0.000 0.000 0.209 419 Q C 1.997 177.881 176.000 -0.194 0.000 0.965 419 Q CA 0.539 56.110 55.803 -0.387 0.000 0.910 419 Q CB -0.053 28.134 28.738 -0.918 0.000 0.980 419 Q HN 0.466 nan 8.270 nan 0.000 0.491 420 I N -0.006 120.498 120.570 -0.110 0.000 2.361 420 I HA -0.228 3.942 4.170 0.000 0.000 0.251 420 I C 2.072 178.183 176.117 -0.010 0.000 1.133 420 I CA 1.615 62.908 61.300 -0.011 0.000 1.413 420 I CB -1.305 36.692 38.000 -0.004 0.000 1.073 420 I HN 0.244 nan 8.210 nan 0.000 0.424 421 S N 0.235 115.915 115.700 -0.033 0.000 2.460 421 S HA -0.029 4.441 4.470 0.000 0.000 0.226 421 S C 2.150 176.739 174.600 -0.018 0.000 1.057 421 S CA 0.003 58.194 58.200 -0.014 0.000 0.948 421 S CB -0.309 62.886 63.200 -0.009 0.000 0.822 421 S HN 0.273 nan 8.310 nan 0.000 0.512 422 R N 1.029 121.501 120.500 -0.047 0.000 2.083 422 R HA 0.112 4.452 4.340 0.000 0.000 0.237 422 R C 1.227 177.506 176.300 -0.035 0.000 1.137 422 R CA 1.584 57.658 56.100 -0.044 0.000 0.951 422 R CB -0.276 29.979 30.300 -0.076 0.000 0.851 422 R HN 0.456 nan 8.270 nan 0.000 0.434 423 L N -0.770 120.422 121.223 -0.052 0.000 2.910 423 L HA 0.333 4.673 4.340 0.000 0.000 0.252 423 L C 0.764 177.652 176.870 0.031 0.000 1.195 423 L CA 0.247 55.078 54.840 -0.015 0.000 1.003 423 L CB 1.182 43.225 42.059 -0.026 0.000 1.328 423 L HN 0.580 nan 8.230 nan 0.000 0.540 424 G N 0.042 108.859 108.800 0.027 0.000 2.162 424 G HA2 -0.134 3.826 3.960 0.000 0.000 0.260 424 G HA3 -0.134 3.826 3.960 0.000 0.000 0.260 424 G C 0.440 175.379 174.900 0.066 0.000 0.976 424 G CA 0.071 45.195 45.100 0.041 0.000 0.655 424 G HN 0.788 nan 8.290 nan 0.000 0.533 425 G N -1.699 107.161 108.800 0.099 0.000 2.343 425 G HA2 0.617 4.577 3.960 0.000 0.000 0.289 425 G HA3 0.617 4.577 3.960 0.000 0.000 0.289 425 G C -2.281 172.754 174.900 0.225 0.000 1.295 425 G CA 0.378 45.551 45.100 0.122 0.000 0.869 425 G HN 0.438 nan 8.290 nan 0.000 0.522 426 P HA 0.135 nan 4.420 nan 0.000 0.255 426 P C 0.217 177.552 177.300 0.058 0.000 1.248 426 P CA 0.273 63.483 63.100 0.183 0.000 0.807 426 P CB 0.292 32.055 31.700 0.105 0.000 1.150 427 N N 0.501 119.234 118.700 0.055 0.000 2.327 427 N HA 0.057 4.797 4.740 0.000 0.000 0.231 427 N C 1.091 176.481 175.510 -0.200 0.000 1.130 427 N CA -0.170 52.825 53.050 -0.091 0.000 0.845 427 N CB -0.653 37.800 38.487 -0.057 0.000 1.073 427 N HN 0.263 nan 8.380 nan 0.000 0.496 428 F N 0.893 120.844 119.950 0.002 0.000 2.333 428 F HA -0.112 4.415 4.527 0.000 0.000 0.300 428 F C 2.223 177.979 175.800 -0.073 0.000 1.083 428 F CA 0.864 58.836 58.000 -0.047 0.000 1.395 428 F CB -0.765 38.218 39.000 -0.028 0.000 1.056 428 F HN 0.170 nan 8.300 nan 0.000 0.529 429 H N 0.437 119.123 119.070 -0.640 0.000 2.524 429 H HA 0.044 4.601 4.556 0.000 0.000 0.282 429 H C 0.958 176.126 175.328 -0.267 0.000 1.016 429 H CA 1.345 57.122 56.048 -0.452 0.000 1.270 429 H CB -0.837 28.538 29.762 -0.646 0.000 1.394 429 H HN 0.531 nan 8.280 nan 0.000 0.568 430 E N 0.930 120.707 120.200 -0.705 0.000 2.442 430 E HA 0.153 4.503 4.350 0.000 0.000 0.195 430 E C 0.360 176.847 176.600 -0.189 0.000 1.030 430 E CA -0.226 55.925 56.400 -0.414 0.000 0.869 430 E CB 0.435 29.898 29.700 -0.395 0.000 0.857 430 E HN 0.436 nan 8.360 nan 0.000 0.505 431 I N 2.631 123.113 120.570 -0.146 0.000 2.598 431 I HA -0.045 4.126 4.170 0.000 0.000 0.284 431 I C -1.548 174.511 176.117 -0.098 0.000 1.140 431 I CA -1.534 59.709 61.300 -0.095 0.000 1.420 431 I CB 0.619 38.577 38.000 -0.071 0.000 1.387 431 I HN -0.194 nan 8.210 nan 0.000 0.553 432 P HA -0.269 nan 4.420 nan 0.000 0.217 432 P C 1.716 178.943 177.300 -0.122 0.000 1.162 432 P CA 1.384 64.426 63.100 -0.095 0.000 0.901 432 P CB 0.153 31.804 31.700 -0.081 0.000 0.793 433 I N -0.948 119.522 120.570 -0.166 0.000 2.454 433 I HA -0.177 3.994 4.170 0.000 0.000 0.254 433 I C 1.325 177.364 176.117 -0.130 0.000 1.156 433 I CA 1.669 62.822 61.300 -0.245 0.000 1.433 433 I CB -0.737 37.012 38.000 -0.418 0.000 1.082 433 I HN -0.112 nan 8.210 nan 0.000 0.432 434 N N 0.651 119.292 118.700 -0.098 0.000 2.463 434 N HA 0.031 4.771 4.740 0.000 0.000 0.181 434 N C 0.343 175.855 175.510 0.004 0.000 1.078 434 N CA 0.224 53.245 53.050 -0.048 0.000 0.902 434 N CB -0.127 38.353 38.487 -0.013 0.000 0.970 434 N HN 0.373 nan 8.380 nan 0.000 0.451 435 R N 1.434 121.930 120.500 -0.006 0.000 2.570 435 R HA 0.145 4.485 4.340 0.000 0.000 0.277 435 R C -2.230 174.123 176.300 0.089 0.000 1.039 435 R CA -1.123 54.976 56.100 -0.001 0.000 1.065 435 R CB -0.116 30.169 30.300 -0.025 0.000 0.964 435 R HN 0.021 nan 8.270 nan 0.000 0.428 436 P HA -0.008 nan 4.420 nan 0.000 0.272 436 P C 0.488 177.858 177.300 0.117 0.000 1.223 436 P CA 0.035 63.204 63.100 0.114 0.000 0.784 436 P CB 0.751 32.476 31.700 0.042 0.000 0.923 437 T N -2.839 111.799 114.554 0.139 0.000 3.044 437 T HA 0.068 4.418 4.350 0.000 0.000 0.250 437 T C 0.835 175.579 174.700 0.073 0.000 1.081 437 T CA -0.022 62.116 62.100 0.063 0.000 1.040 437 T CB -1.011 67.875 68.868 0.030 0.000 0.962 437 T HN 0.554 nan 8.240 nan 0.000 0.506 438 C N 1.182 120.540 119.300 0.096 0.000 2.347 438 C HA 0.775 5.235 4.460 0.000 0.000 0.366 438 C C -2.484 172.567 174.990 0.101 0.000 1.241 438 C CA -2.598 56.476 59.018 0.093 0.000 2.360 438 C CB 0.136 27.935 27.740 0.099 0.000 2.290 438 C HN 0.161 nan 8.230 nan 0.000 0.587 439 P HA 0.269 nan 4.420 nan 0.000 0.268 439 P C -1.180 176.206 177.300 0.143 0.000 1.205 439 P CA 0.527 63.704 63.100 0.127 0.000 0.771 439 P CB -0.084 31.731 31.700 0.193 0.000 0.858 440 Y N 1.038 121.248 120.300 -0.150 0.000 2.361 440 Y HA 0.637 5.187 4.550 0.000 0.000 0.328 440 Y C -1.483 174.116 175.900 -0.501 0.000 1.044 440 Y CA -0.941 57.048 58.100 -0.186 0.000 1.085 440 Y CB 1.289 39.660 38.460 -0.148 0.000 1.194 440 Y HN 0.426 nan 8.280 nan 0.000 0.438 441 H N 3.981 122.921 119.070 -0.217 0.000 2.856 441 H HA 0.571 5.127 4.556 0.000 0.000 0.355 441 H C -1.153 174.045 175.328 -0.217 0.000 1.079 441 H CA -0.760 55.095 56.048 -0.321 0.000 1.240 441 H CB 1.657 31.275 29.762 -0.240 0.000 1.701 441 H HN 0.889 nan 8.280 nan 0.000 0.527 442 N N 0.423 119.003 118.700 -0.200 0.000 3.378 442 N HA 0.179 4.920 4.740 0.000 0.000 0.294 442 N C -1.189 174.099 175.510 -0.371 0.000 1.544 442 N CA -0.930 51.968 53.050 -0.255 0.000 0.872 442 N CB 0.679 39.168 38.487 0.004 0.000 1.670 442 N HN 0.296 nan 8.380 nan 0.000 0.551 443 F N -0.374 119.616 119.950 0.066 0.000 2.641 443 F HA 0.349 4.876 4.527 0.000 0.000 0.302 443 F C 0.511 176.353 175.800 0.069 0.000 1.098 443 F CA -0.351 57.684 58.000 0.059 0.000 1.318 443 F CB 0.219 39.249 39.000 0.050 0.000 1.035 443 F HN 0.140 nan 8.300 nan 0.000 0.551 444 Q N 1.436 121.342 119.800 0.176 0.000 2.340 444 Q HA 0.416 4.756 4.340 0.000 0.000 0.249 444 Q C 0.065 176.142 176.000 0.128 0.000 0.957 444 Q CA -0.063 55.824 55.803 0.141 0.000 0.882 444 Q CB 1.063 29.862 28.738 0.102 0.000 1.235 444 Q HN 0.104 nan 8.270 nan 0.000 0.439 445 R N 1.372 121.940 120.500 0.113 0.000 2.817 445 R HA 0.346 4.686 4.340 0.000 0.000 0.268 445 R C -0.650 175.698 176.300 0.080 0.000 1.027 445 R CA -0.633 55.524 56.100 0.096 0.000 0.928 445 R CB 1.064 31.422 30.300 0.097 0.000 1.228 445 R HN 0.725 nan 8.270 nan 0.000 0.469 446 D N -0.216 120.224 120.400 0.065 0.000 3.369 446 D HA -0.182 4.458 4.640 0.000 0.000 0.217 446 D C 0.377 176.711 176.300 0.056 0.000 1.532 446 D CA 2.016 56.047 54.000 0.052 0.000 1.126 446 D CB -1.129 39.700 40.800 0.048 0.000 0.683 446 D HN 0.911 nan 8.370 nan 0.000 0.827 447 G N -1.225 107.606 108.800 0.053 0.000 2.712 447 G HA2 0.197 4.157 3.960 0.000 0.000 0.686 447 G HA3 0.197 4.157 3.960 0.000 0.000 0.686 447 G C -0.285 174.649 174.900 0.058 0.000 1.321 447 G CA 0.071 45.207 45.100 0.059 0.000 0.813 447 G HN 0.788 nan 8.290 nan 0.000 0.599 448 M N 1.155 120.796 119.600 0.067 0.000 2.249 448 M HA 0.475 4.956 4.480 0.000 0.000 0.340 448 M C 1.073 177.452 176.300 0.131 0.000 1.166 448 M CA 1.150 56.499 55.300 0.081 0.000 1.115 448 M CB -0.503 32.147 32.600 0.082 0.000 1.606 448 M HN 1.547 nan 8.290 nan 0.000 0.448 449 H N 0.990 120.066 119.070 0.010 0.000 2.592 449 H HA -0.191 4.366 4.556 0.000 0.000 0.323 449 H C -0.741 174.581 175.328 -0.011 0.000 1.117 449 H CA 0.728 56.777 56.048 0.002 0.000 1.120 449 H CB -0.619 29.147 29.762 0.007 0.000 1.561 449 H HN 0.619 nan 8.280 nan 0.000 0.409 450 R N 1.788 122.302 120.500 0.024 0.000 2.351 450 R HA 0.077 4.418 4.340 0.000 0.000 0.318 450 R C 0.900 177.189 176.300 -0.018 0.000 1.055 450 R CA -0.056 56.052 56.100 0.013 0.000 0.968 450 R CB 0.281 30.588 30.300 0.012 0.000 0.974 450 R HN 0.393 nan 8.270 nan 0.000 0.439 451 M N 2.573 122.175 119.600 0.004 0.000 2.276 451 M HA 0.211 4.691 4.480 0.000 0.000 0.262 451 M C 0.988 177.279 176.300 -0.013 0.000 1.098 451 M CA 1.078 56.377 55.300 -0.003 0.000 1.167 451 M CB -0.938 31.671 32.600 0.014 0.000 1.337 451 M HN 0.708 nan 8.290 nan 0.000 0.446 452 G N 1.797 110.593 108.800 -0.006 0.000 2.380 452 G HA2 0.353 4.313 3.960 0.000 0.000 0.242 452 G HA3 0.353 4.313 3.960 0.000 0.000 0.242 452 G C -0.361 174.531 174.900 -0.013 0.000 1.298 452 G CA -0.347 44.746 45.100 -0.011 0.000 0.878 452 G HN 0.337 nan 8.290 nan 0.000 0.542 453 I N 2.757 123.314 120.570 -0.022 0.000 2.337 453 I HA 0.105 4.275 4.170 0.000 0.000 0.285 453 I C -0.292 175.814 176.117 -0.018 0.000 1.041 453 I CA -0.557 60.734 61.300 -0.015 0.000 1.199 453 I CB 0.988 38.978 38.000 -0.016 0.000 1.370 453 I HN 0.370 nan 8.210 nan 0.000 0.470 454 D N 4.760 125.154 120.400 -0.009 0.000 2.390 454 D HA 0.056 4.696 4.640 0.000 0.000 0.249 454 D C 1.207 177.509 176.300 0.004 0.000 1.144 454 D CA 0.283 54.277 54.000 -0.009 0.000 0.880 454 D CB 1.813 42.615 40.800 0.004 0.000 1.182 454 D HN 0.560 nan 8.370 nan 0.000 0.451 455 T N -0.803 113.750 114.554 -0.002 0.000 3.060 455 T HA -0.057 4.293 4.350 0.000 0.000 0.249 455 T C 0.849 175.559 174.700 0.017 0.000 1.079 455 T CA -0.534 61.570 62.100 0.005 0.000 1.013 455 T CB 0.175 69.040 68.868 -0.006 0.000 0.975 455 T HN 0.116 nan 8.240 nan 0.000 0.518 456 N N 3.354 122.067 118.700 0.022 0.000 2.411 456 N HA 0.094 4.835 4.740 0.000 0.000 0.261 456 N C -1.644 173.908 175.510 0.070 0.000 1.248 456 N CA -1.540 51.538 53.050 0.046 0.000 0.885 456 N CB 1.446 39.967 38.487 0.057 0.000 1.062 456 N HN 0.057 nan 8.380 nan 0.000 0.471 457 P HA -0.038 nan 4.420 nan 0.000 0.218 457 P C -0.527 176.834 177.300 0.102 0.000 1.148 457 P CA 1.035 64.181 63.100 0.076 0.000 0.822 457 P CB 0.204 31.944 31.700 0.066 0.000 0.784 458 A N 0.430 123.302 122.820 0.086 0.000 2.312 458 A HA 0.440 4.760 4.320 0.000 0.000 0.328 458 A C 0.421 178.107 177.584 0.169 0.000 1.158 458 A CA -0.649 51.400 52.037 0.019 0.000 0.821 458 A CB 0.159 18.979 19.000 -0.300 0.000 1.170 458 A HN 0.276 nan 8.150 nan 0.000 0.490 459 N N -0.237 118.600 118.700 0.227 0.000 2.351 459 N HA 0.346 5.086 4.740 0.000 0.000 0.254 459 N C -0.860 174.800 175.510 0.250 0.000 1.241 459 N CA -0.344 52.916 53.050 0.351 0.000 0.883 459 N CB 0.348 38.996 38.487 0.269 0.000 1.202 459 N HN 0.690 nan 8.380 nan 0.000 0.512 460 Y N -0.858 119.295 120.300 -0.245 0.000 2.625 460 Y HA 0.712 5.262 4.550 0.000 0.000 0.338 460 Y C -1.418 173.867 175.900 -1.025 0.000 1.123 460 Y CA -1.379 56.407 58.100 -0.523 0.000 1.046 460 Y CB 1.080 39.405 38.460 -0.226 0.000 1.299 460 Y HN 0.050 nan 8.280 nan 0.000 0.464 461 E N 0.510 120.241 120.200 -0.781 0.000 2.356 461 E HA 0.618 4.968 4.350 0.000 0.000 0.275 461 E C -3.204 173.286 176.600 -0.183 0.000 0.904 461 E CA -2.047 53.989 56.400 -0.608 0.000 0.757 461 E CB 1.565 30.860 29.700 -0.675 0.000 1.232 461 E HN 0.555 nan 8.360 nan 0.000 0.442 462 P HA 0.274 nan 4.420 nan 0.000 0.275 462 P C -1.236 176.003 177.300 -0.101 0.000 1.227 462 P CA -0.378 62.654 63.100 -0.114 0.000 0.781 462 P CB 0.425 32.093 31.700 -0.053 0.000 0.906 463 N N -1.271 117.298 118.700 -0.219 0.000 2.262 463 N HA 0.360 5.100 4.740 0.000 0.000 0.295 463 N C 0.251 175.707 175.510 -0.091 0.000 1.161 463 N CA -0.773 52.150 53.050 -0.212 0.000 0.767 463 N CB 1.449 39.524 38.487 -0.686 0.000 1.499 463 N HN 0.183 nan 8.380 nan 0.000 0.476 464 S N 0.489 116.186 115.700 -0.005 0.000 2.502 464 S HA 0.013 4.483 4.470 0.000 0.000 0.215 464 S C 1.488 176.101 174.600 0.021 0.000 1.009 464 S CA -0.046 58.156 58.200 0.004 0.000 0.908 464 S CB -0.783 62.431 63.200 0.023 0.000 0.801 464 S HN 0.708 nan 8.310 nan 0.000 0.505 465 I N -0.919 119.670 120.570 0.032 0.000 3.001 465 I HA 0.265 4.436 4.170 0.000 0.000 0.268 465 I C 1.261 177.409 176.117 0.053 0.000 1.267 465 I CA 1.021 62.351 61.300 0.051 0.000 1.472 465 I CB -0.349 37.700 38.000 0.082 0.000 1.089 465 I HN 0.160 nan 8.210 nan 0.000 0.468 466 N N 1.103 119.834 118.700 0.050 0.000 2.299 466 N HA 0.036 4.776 4.740 0.000 0.000 0.246 466 N C -0.063 175.563 175.510 0.194 0.000 1.254 466 N CA -0.015 53.106 53.050 0.118 0.000 0.879 466 N CB 0.045 38.614 38.487 0.137 0.000 1.214 466 N HN 0.204 nan 8.380 nan 0.000 0.510 467 D N 0.685 121.146 120.400 0.103 0.000 2.837 467 D HA -0.250 4.391 4.640 0.000 0.000 0.230 467 D C -0.098 176.111 176.300 -0.152 0.000 1.152 467 D CA 1.101 55.131 54.000 0.051 0.000 0.736 467 D CB -1.372 39.546 40.800 0.198 0.000 1.084 467 D HN 0.464 nan 8.370 nan 0.000 0.429 468 N N -1.742 116.883 118.700 -0.125 0.000 2.800 468 N HA -0.241 4.499 4.740 0.000 0.000 0.250 468 N C -0.774 174.642 175.510 -0.158 0.000 1.078 468 N CA 1.401 54.342 53.050 -0.182 0.000 0.804 468 N CB -1.314 37.021 38.487 -0.254 0.000 1.135 468 N HN 0.534 nan 8.380 nan 0.000 0.565 469 W N 1.041 122.389 121.300 0.080 0.000 2.303 469 W HA 0.451 5.111 4.660 0.000 0.000 0.334 469 W C -1.609 174.947 176.519 0.060 0.000 1.197 469 W CA -1.597 55.777 57.345 0.048 0.000 1.262 469 W CB 0.378 29.818 29.460 -0.034 0.000 1.153 469 W HN -0.038 nan 8.180 nan 0.000 0.596 470 P HA 0.133 nan 4.420 nan 0.000 0.271 470 P C -0.660 176.747 177.300 0.179 0.000 1.218 470 P CA 0.028 63.244 63.100 0.194 0.000 0.780 470 P CB 0.853 32.525 31.700 -0.046 0.000 0.901 471 R N 1.176 121.757 120.500 0.136 0.000 2.668 471 R HA 0.328 4.668 4.340 0.000 0.000 0.279 471 R C 0.382 176.696 176.300 0.024 0.000 0.976 471 R CA -0.857 55.203 56.100 -0.066 0.000 0.978 471 R CB 1.053 31.092 30.300 -0.436 0.000 1.133 471 R HN 0.486 nan 8.270 nan 0.000 0.484 472 E N 0.663 120.870 120.200 0.011 0.000 2.436 472 E HA 0.017 4.368 4.350 0.000 0.000 0.262 472 E C -0.567 176.048 176.600 0.025 0.000 1.063 472 E CA 0.719 57.141 56.400 0.036 0.000 0.944 472 E CB 0.671 30.384 29.700 0.022 0.000 0.950 472 E HN 0.363 nan 8.360 nan 0.000 0.444 473 T N 3.574 118.157 114.554 0.048 0.000 2.841 473 T HA 0.343 4.693 4.350 0.000 0.000 0.285 473 T C -2.455 172.267 174.700 0.038 0.000 0.991 473 T CA -1.566 60.562 62.100 0.045 0.000 0.966 473 T CB 1.510 70.417 68.868 0.066 0.000 0.962 473 T HN 0.232 nan 8.240 nan 0.000 0.438 474 P HA 0.236 nan 4.420 nan 0.000 0.269 474 P C -2.421 174.886 177.300 0.011 0.000 1.209 474 P CA -1.228 61.879 63.100 0.013 0.000 0.776 474 P CB -0.354 31.349 31.700 0.004 0.000 0.876 475 P HA 0.245 nan 4.420 nan 0.000 0.269 475 P C 0.023 177.313 177.300 -0.017 0.000 1.215 475 P CA 0.428 63.515 63.100 -0.022 0.000 0.780 475 P CB 0.602 32.267 31.700 -0.057 0.000 0.898 476 G N 0.848 109.636 108.800 -0.019 0.000 2.488 476 G HA2 0.395 4.355 3.960 0.000 0.000 0.301 476 G HA3 0.395 4.355 3.960 0.000 0.000 0.301 476 G C -2.536 172.354 174.900 -0.017 0.000 1.339 476 G CA -0.723 44.369 45.100 -0.013 0.000 0.803 476 G HN 0.161 nan 8.290 nan 0.000 0.482 477 P HA 0.061 nan 4.420 nan 0.000 0.219 477 P C 0.287 177.583 177.300 -0.007 0.000 1.150 477 P CA 1.209 64.301 63.100 -0.014 0.000 0.814 477 P CB 0.454 32.148 31.700 -0.009 0.000 0.787 478 K N -1.173 119.229 120.400 0.005 0.000 2.557 478 K HA 0.280 4.600 4.320 0.000 0.000 0.261 478 K C -0.347 176.269 176.600 0.027 0.000 0.932 478 K CA -0.728 55.569 56.287 0.016 0.000 0.829 478 K CB 1.230 33.740 32.500 0.017 0.000 1.358 478 K HN -0.386 nan 8.250 nan 0.000 0.430 479 R N -0.160 120.364 120.500 0.040 0.000 3.627 479 R HA -0.153 4.187 4.340 0.000 0.000 0.281 479 R C -0.159 176.171 176.300 0.050 0.000 1.140 479 R CA 1.106 57.236 56.100 0.050 0.000 0.761 479 R CB -2.292 28.037 30.300 0.049 0.000 1.181 479 R HN 0.843 nan 8.270 nan 0.000 0.472 480 G N -1.064 107.761 108.800 0.042 0.000 2.491 480 G HA2 0.642 4.603 3.960 0.000 0.000 0.327 480 G HA3 0.642 4.603 3.960 0.000 0.000 0.327 480 G C 0.330 175.264 174.900 0.058 0.000 1.189 480 G CA 0.038 45.161 45.100 0.039 0.000 0.956 480 G HN 0.258 nan 8.290 nan 0.000 0.491 481 G N -1.336 107.500 108.800 0.060 0.000 2.606 481 G HA2 0.413 4.373 3.960 0.000 0.000 0.252 481 G HA3 0.413 4.373 3.960 0.000 0.000 0.252 481 G C -0.747 174.216 174.900 0.105 0.000 1.206 481 G CA -0.553 44.606 45.100 0.098 0.000 0.861 481 G HN 0.456 nan 8.290 nan 0.000 0.561 482 F N 0.210 120.175 119.950 0.025 0.000 2.427 482 F HA 0.415 4.942 4.527 0.000 0.000 0.352 482 F C 0.500 176.314 175.800 0.024 0.000 1.100 482 F CA -0.305 57.706 58.000 0.018 0.000 1.191 482 F CB 0.974 39.987 39.000 0.022 0.000 1.128 482 F HN 0.434 nan 8.300 nan 0.000 0.533 483 E N 4.064 123.958 120.200 -0.510 0.000 2.256 483 E HA 0.317 4.668 4.350 0.000 0.000 0.268 483 E C -1.113 175.176 176.600 -0.518 0.000 0.877 483 E CA -0.765 55.452 56.400 -0.304 0.000 0.757 483 E CB 1.524 31.122 29.700 -0.170 0.000 1.183 483 E HN 0.630 nan 8.360 nan 0.000 0.418 484 S N 2.490 118.091 115.700 -0.165 0.000 2.576 484 S HA 0.012 4.482 4.470 0.000 0.000 0.276 484 S C -0.563 174.017 174.600 -0.035 0.000 1.339 484 S CA -0.364 57.809 58.200 -0.046 0.000 1.039 484 S CB 0.176 63.480 63.200 0.173 0.000 0.902 484 S HN 0.479 nan 8.310 nan 0.000 0.516 485 Y N 2.315 122.547 120.300 -0.114 0.000 2.620 485 Y HA 0.003 4.553 4.550 0.000 0.000 0.330 485 Y C 0.826 176.705 175.900 -0.036 0.000 1.186 485 Y CA 0.102 58.147 58.100 -0.092 0.000 1.467 485 Y CB 0.190 38.596 38.460 -0.091 0.000 1.262 485 Y HN 0.586 nan 8.280 nan 0.000 0.550 486 Q N 5.180 124.622 119.800 -0.596 0.000 3.254 486 Q HA 0.017 4.357 4.340 0.000 0.000 0.315 486 Q C -0.215 175.494 176.000 -0.484 0.000 1.405 486 Q CA -0.035 55.517 55.803 -0.418 0.000 0.966 486 Q CB -0.213 28.349 28.738 -0.294 0.000 1.706 486 Q HN 0.650 nan 8.270 nan 0.000 0.525 487 E N 1.330 121.316 120.200 -0.356 0.000 2.413 487 E HA -0.016 4.334 4.350 0.000 0.000 0.263 487 E C -0.234 176.329 176.600 -0.062 0.000 1.015 487 E CA -0.398 55.919 56.400 -0.139 0.000 0.916 487 E CB 0.643 30.401 29.700 0.096 0.000 0.947 487 E HN 0.121 nan 8.360 nan 0.000 0.440 488 R N 3.006 123.493 120.500 -0.022 0.000 2.347 488 R HA 0.209 4.549 4.340 0.000 0.000 0.304 488 R C -1.458 174.861 176.300 0.033 0.000 1.072 488 R CA -0.192 55.908 56.100 0.000 0.000 0.980 488 R CB 0.818 31.126 30.300 0.013 0.000 0.986 488 R HN 0.281 nan 8.270 nan 0.000 0.448 489 V N 5.174 125.101 119.914 0.022 0.000 2.409 489 V HA 0.411 4.532 4.120 0.000 0.000 0.291 489 V C -0.515 175.591 176.094 0.021 0.000 1.020 489 V CA -0.579 61.739 62.300 0.030 0.000 0.848 489 V CB 1.564 33.403 31.823 0.027 0.000 0.990 489 V HN 0.816 nan 8.190 nan 0.000 0.430 490 E N 2.983 123.197 120.200 0.023 0.000 2.274 490 E HA 0.735 5.086 4.350 0.000 0.000 0.269 490 E C -0.074 176.531 176.600 0.009 0.000 0.891 490 E CA -0.490 55.917 56.400 0.013 0.000 0.784 490 E CB 2.521 32.229 29.700 0.013 0.000 1.225 490 E HN 0.977 nan 8.360 nan 0.000 0.412 491 G N 2.388 111.188 108.800 0.001 0.000 2.337 491 G HA2 0.061 4.021 3.960 0.000 0.000 0.298 491 G HA3 0.061 4.021 3.960 0.000 0.000 0.298 491 G C -1.509 173.385 174.900 -0.010 0.000 1.335 491 G CA -1.085 44.012 45.100 -0.005 0.000 0.875 491 G HN 0.387 nan 8.290 nan 0.000 0.579 492 N N -0.007 118.683 118.700 -0.015 0.000 2.489 492 N HA 0.462 5.203 4.740 0.000 0.000 0.284 492 N C -0.198 175.299 175.510 -0.021 0.000 1.158 492 N CA -0.593 52.447 53.050 -0.017 0.000 0.965 492 N CB 1.004 39.480 38.487 -0.018 0.000 1.195 492 N HN 0.456 nan 8.380 nan 0.000 0.506 493 K N 1.125 121.512 120.400 -0.022 0.000 2.351 493 K HA 0.170 4.490 4.320 0.000 0.000 0.287 493 K C -0.676 175.903 176.600 -0.035 0.000 1.068 493 K CA -0.136 56.135 56.287 -0.027 0.000 0.998 493 K CB -0.330 32.156 32.500 -0.024 0.000 0.968 493 K HN 0.360 nan 8.250 nan 0.000 0.464 494 V N 0.226 120.114 119.914 -0.043 0.000 3.007 494 V HA 0.494 4.614 4.120 0.000 0.000 0.311 494 V C -0.527 175.527 176.094 -0.067 0.000 1.120 494 V CA -1.377 60.892 62.300 -0.051 0.000 0.980 494 V CB 2.076 33.869 31.823 -0.049 0.000 1.033 494 V HN 0.608 nan 8.190 nan 0.000 0.429 495 R N 2.106 122.561 120.500 -0.075 0.000 2.666 495 R HA 0.582 4.923 4.340 0.000 0.000 0.275 495 R C -0.482 175.766 176.300 -0.087 0.000 1.266 495 R CA -0.146 55.895 56.100 -0.098 0.000 1.401 495 R CB 0.753 30.979 30.300 -0.122 0.000 1.145 495 R HN 0.931 nan 8.270 nan 0.000 0.581 496 E N 1.811 121.957 120.200 -0.091 0.000 2.343 496 E HA 0.268 4.618 4.350 0.000 0.000 0.278 496 E C -1.240 175.289 176.600 -0.119 0.000 0.910 496 E CA -1.061 55.288 56.400 -0.086 0.000 0.757 496 E CB 1.702 31.360 29.700 -0.071 0.000 1.218 496 E HN 0.099 nan 8.360 nan 0.000 0.435 497 R N 1.605 122.036 120.500 -0.114 0.000 2.390 497 R HA 0.229 4.569 4.340 0.000 0.000 0.291 497 R C -0.558 175.617 176.300 -0.208 0.000 1.070 497 R CA 0.033 56.023 56.100 -0.182 0.000 1.014 497 R CB 1.263 31.509 30.300 -0.091 0.000 1.007 497 R HN 0.394 nan 8.270 nan 0.000 0.466 498 S N 4.811 120.280 115.700 -0.385 0.000 2.537 498 S HA 0.122 4.592 4.470 0.000 0.000 0.286 498 S C -1.558 173.000 174.600 -0.070 0.000 1.299 498 S CA -1.244 56.817 58.200 -0.232 0.000 1.067 498 S CB 0.680 63.705 63.200 -0.292 0.000 0.864 498 S HN 0.535 nan 8.310 nan 0.000 0.494 499 P HA -0.101 nan 4.420 nan 0.000 0.218 499 P C 1.564 178.908 177.300 0.073 0.000 1.148 499 P CA 1.189 64.304 63.100 0.025 0.000 0.822 499 P CB -0.143 31.562 31.700 0.008 0.000 0.784 500 S N -1.836 113.942 115.700 0.131 0.000 2.465 500 S HA -0.143 4.328 4.470 0.000 0.000 0.241 500 S C 1.467 176.230 174.600 0.272 0.000 1.000 500 S CA 0.998 59.311 58.200 0.188 0.000 0.964 500 S CB -1.442 61.901 63.200 0.239 0.000 0.763 500 S HN -0.021 nan 8.310 nan 0.000 0.512 501 F N 2.134 122.073 119.950 -0.018 0.000 2.789 501 F HA 0.390 4.917 4.527 0.000 0.000 0.300 501 F C 2.073 177.810 175.800 -0.105 0.000 1.132 501 F CA -0.814 57.172 58.000 -0.023 0.000 1.404 501 F CB -0.706 38.311 39.000 0.029 0.000 1.114 501 F HN 0.349 nan 8.300 nan 0.000 0.584 502 G N 0.320 109.125 108.800 0.010 0.000 3.375 502 G HA2 -0.006 3.955 3.960 0.000 0.000 0.247 502 G HA3 -0.006 3.955 3.960 0.000 0.000 0.247 502 G C 0.147 174.602 174.900 -0.741 0.000 1.343 502 G CA 0.161 45.078 45.100 -0.305 0.000 1.368 502 G HN 0.053 nan 8.290 nan 0.000 0.549 503 E N 0.026 119.760 120.200 -0.777 0.000 2.241 503 E HA 0.343 4.693 4.350 0.000 0.000 0.263 503 E C -0.812 175.378 176.600 -0.683 0.000 0.882 503 E CA -0.819 55.189 56.400 -0.653 0.000 0.769 503 E CB 1.431 30.984 29.700 -0.246 0.000 1.185 503 E HN 0.232 nan 8.360 nan 0.000 0.415 504 Y N 2.791 122.872 120.300 -0.365 0.000 2.527 504 Y HA 0.199 4.750 4.550 0.000 0.000 0.247 504 Y C 0.551 176.176 175.900 -0.459 0.000 1.138 504 Y CA -0.177 57.627 58.100 -0.493 0.000 1.228 504 Y CB 0.388 38.417 38.460 -0.717 0.000 1.252 504 Y HN 0.426 nan 8.280 nan 0.000 0.531 505 Y N -1.488 118.888 120.300 0.127 0.000 2.467 505 Y HA 0.096 4.646 4.550 0.001 0.000 0.259 505 Y C 2.363 178.323 175.900 0.099 0.000 1.084 505 Y CA 0.061 58.234 58.100 0.121 0.000 1.275 505 Y CB -0.294 38.244 38.460 0.130 0.000 1.208 505 Y HN 0.057 nan 8.280 nan 0.000 0.511 506 S N -0.655 115.177 115.700 0.220 0.000 2.383 506 S HA -0.197 4.273 4.470 0.000 0.000 0.227 506 S C 1.473 176.163 174.600 0.151 0.000 1.026 506 S CA 1.665 59.980 58.200 0.192 0.000 0.981 506 S CB -0.579 62.740 63.200 0.199 0.000 0.818 506 S HN 0.419 nan 8.310 nan 0.000 0.472 507 H N 2.999 121.981 119.070 -0.146 0.000 2.326 507 H HA 0.164 4.720 4.556 0.000 0.000 0.301 507 H C -0.601 174.533 175.328 -0.324 0.000 1.081 507 H CA 1.412 57.222 56.048 -0.397 0.000 1.334 507 H CB -1.791 27.499 29.762 -0.788 0.000 1.385 507 H HN 0.384 nan 8.280 nan 0.000 0.504 508 P HA -0.176 nan 4.420 nan 0.000 0.215 508 P C 1.513 179.003 177.300 0.317 0.000 1.157 508 P CA 1.723 64.977 63.100 0.256 0.000 0.874 508 P CB 0.083 31.960 31.700 0.294 0.000 0.790 509 R N -0.434 120.203 120.500 0.228 0.000 2.073 509 R HA -0.134 4.206 4.340 0.000 0.000 0.234 509 R C 2.176 178.608 176.300 0.220 0.000 1.134 509 R CA 1.211 57.449 56.100 0.230 0.000 0.952 509 R CB -1.092 29.304 30.300 0.160 0.000 0.850 509 R HN 0.062 nan 8.270 nan 0.000 0.433 510 L N 0.525 121.822 121.223 0.123 0.000 2.042 510 L HA -0.152 4.188 4.340 0.000 0.000 0.210 510 L C 1.948 178.874 176.870 0.094 0.000 1.076 510 L CA 1.745 56.619 54.840 0.057 0.000 0.749 510 L CB -0.725 41.294 42.059 -0.066 0.000 0.893 510 L HN 0.247 nan 8.230 nan 0.000 0.432 511 F N -0.808 119.171 119.950 0.049 0.000 2.075 511 F HA -0.258 4.269 4.527 0.001 0.000 0.297 511 F C 2.341 178.137 175.800 -0.007 0.000 1.113 511 F CA 2.122 60.125 58.000 0.005 0.000 1.218 511 F CB -0.699 38.337 39.000 0.060 0.000 0.984 511 F HN 0.365 nan 8.300 nan 0.000 0.472 512 W N 1.564 122.842 121.300 -0.037 0.000 2.317 512 W HA -0.266 4.395 4.660 0.000 0.000 0.318 512 W C 1.767 178.158 176.519 -0.214 0.000 1.227 512 W CA 1.979 59.246 57.345 -0.130 0.000 1.269 512 W CB -0.787 28.697 29.460 0.041 0.000 1.155 512 W HN 0.100 nan 8.180 nan 0.000 0.484 513 L N 1.126 122.278 121.223 -0.119 0.000 2.456 513 L HA -0.153 4.187 4.340 0.000 0.000 0.224 513 L C 2.330 179.012 176.870 -0.313 0.000 1.148 513 L CA 0.994 55.696 54.840 -0.231 0.000 0.825 513 L CB -0.646 41.399 42.059 -0.023 0.000 0.937 513 L HN -0.127 nan 8.230 nan 0.000 0.450 514 S N -1.525 113.964 115.700 -0.352 0.000 2.528 514 S HA 0.039 4.509 4.470 0.000 0.000 0.219 514 S C 0.778 175.092 174.600 -0.476 0.000 0.985 514 S CA 0.107 58.100 58.200 -0.346 0.000 0.914 514 S CB 0.038 63.064 63.200 -0.290 0.000 0.776 514 S HN 0.302 nan 8.310 nan 0.000 0.526 515 Q N 2.288 121.694 119.800 -0.656 0.000 2.306 515 Q HA 0.264 4.604 4.340 0.000 0.000 0.241 515 Q C 0.663 176.272 176.000 -0.652 0.000 0.948 515 Q CA -0.041 55.340 55.803 -0.704 0.000 0.886 515 Q CB 0.311 28.551 28.738 -0.831 0.000 1.227 515 Q HN 0.439 nan 8.270 nan 0.000 0.457 516 T N -1.719 112.408 114.554 -0.711 0.000 2.748 516 T HA 0.153 4.504 4.350 0.000 0.000 0.304 516 T C -1.740 172.499 174.700 -0.770 0.000 1.041 516 T CA -1.300 60.344 62.100 -0.759 0.000 1.033 516 T CB 0.280 68.442 68.868 -1.176 0.000 0.995 516 T HN 0.236 nan 8.240 nan 0.000 0.536 517 P HA -0.005 nan 4.420 nan 0.000 0.217 517 P C 1.359 178.453 177.300 -0.343 0.000 1.150 517 P CA 0.974 63.856 63.100 -0.363 0.000 0.832 517 P CB -0.234 31.371 31.700 -0.158 0.000 0.787 518 F N -0.385 119.364 119.950 -0.335 0.000 2.367 518 F HA 0.108 4.636 4.527 0.000 0.000 0.298 518 F C 1.764 177.190 175.800 -0.624 0.000 1.094 518 F CA 0.715 58.447 58.000 -0.448 0.000 1.409 518 F CB -1.435 37.287 39.000 -0.463 0.000 1.064 518 F HN -0.117 nan 8.300 nan 0.000 0.528 519 E N 0.607 120.214 120.200 -0.988 0.000 2.107 519 E HA -0.180 4.170 4.350 0.000 0.000 0.191 519 E C 2.176 178.564 176.600 -0.354 0.000 0.982 519 E CA 1.175 57.228 56.400 -0.579 0.000 0.809 519 E CB -0.239 29.075 29.700 -0.644 0.000 0.756 519 E HN 0.620 nan 8.360 nan 0.000 0.459 520 Q N 0.427 119.934 119.800 -0.489 0.000 2.084 520 Q HA -0.188 4.153 4.340 0.000 0.000 0.202 520 Q C 2.290 178.306 176.000 0.026 0.000 0.978 520 Q CA 1.201 56.746 55.803 -0.430 0.000 0.844 520 Q CB -0.185 28.042 28.738 -0.852 0.000 0.898 520 Q HN 0.138 nan 8.270 nan 0.000 0.426 521 R N 0.204 120.698 120.500 -0.009 0.000 2.081 521 R HA -0.179 4.161 4.340 0.000 0.000 0.235 521 R C 1.738 178.206 176.300 0.278 0.000 1.131 521 R CA 1.675 57.859 56.100 0.139 0.000 0.960 521 R CB -0.182 30.166 30.300 0.079 0.000 0.856 521 R HN 0.489 nan 8.270 nan 0.000 0.436 522 H N -0.448 118.711 119.070 0.148 0.000 2.423 522 H HA -0.060 4.496 4.556 0.000 0.000 0.297 522 H C 2.170 177.608 175.328 0.182 0.000 1.075 522 H CA 1.252 57.401 56.048 0.169 0.000 1.342 522 H CB 0.067 29.935 29.762 0.177 0.000 1.395 522 H HN 0.226 nan 8.280 nan 0.000 0.530 523 I N 0.100 120.879 120.570 0.348 0.000 2.202 523 I HA -0.243 3.927 4.170 0.000 0.000 0.242 523 I C 2.309 178.699 176.117 0.455 0.000 1.091 523 I CA 0.694 62.230 61.300 0.394 0.000 1.368 523 I CB -0.135 38.192 38.000 0.546 0.000 1.058 523 I HN 0.066 nan 8.210 nan 0.000 0.410 524 V N 1.031 121.216 119.914 0.450 0.000 2.282 524 V HA -0.344 3.776 4.120 0.000 0.000 0.249 524 V C 2.077 178.342 176.094 0.285 0.000 1.057 524 V CA 2.190 64.704 62.300 0.357 0.000 1.032 524 V CB -0.715 31.279 31.823 0.284 0.000 0.645 524 V HN 0.429 nan 8.190 nan 0.000 0.447 525 D N 0.398 120.948 120.400 0.250 0.000 2.117 525 D HA -0.106 4.535 4.640 0.000 0.000 0.197 525 D C 2.184 178.555 176.300 0.119 0.000 0.987 525 D CA 1.593 55.707 54.000 0.190 0.000 0.829 525 D CB -0.710 40.208 40.800 0.197 0.000 0.961 525 D HN 0.475 nan 8.370 nan 0.000 0.460 526 G N 0.131 108.973 108.800 0.070 0.000 2.433 526 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 526 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 526 G C 1.481 176.374 174.900 -0.012 0.000 1.186 526 G CA 0.324 45.377 45.100 -0.078 0.000 0.779 526 G HN 0.168 nan 8.290 nan 0.000 0.543 527 F N 1.762 121.752 119.950 0.067 0.000 2.095 527 F HA -0.090 4.437 4.527 0.000 0.000 0.298 527 F C 3.194 178.916 175.800 -0.130 0.000 1.104 527 F CA 1.647 59.623 58.000 -0.041 0.000 1.232 527 F CB -0.445 38.540 39.000 -0.025 0.000 0.987 527 F HN 0.087 nan 8.300 nan 0.000 0.475 528 S N -0.144 115.649 115.700 0.155 0.000 2.368 528 S HA -0.217 4.254 4.470 0.000 0.000 0.225 528 S C 1.873 176.497 174.600 0.040 0.000 1.030 528 S CA 1.355 59.596 58.200 0.067 0.000 0.999 528 S CB -0.795 62.468 63.200 0.105 0.000 0.844 528 S HN 0.406 nan 8.310 nan 0.000 0.459 529 F N 2.573 122.481 119.950 -0.070 0.000 2.113 529 F HA -0.092 4.436 4.527 0.000 0.000 0.297 529 F C 2.326 178.060 175.800 -0.110 0.000 1.103 529 F CA 1.472 59.421 58.000 -0.085 0.000 1.248 529 F CB -0.325 38.574 39.000 -0.170 0.000 0.999 529 F HN 0.127 nan 8.300 nan 0.000 0.475 530 E N 0.634 120.823 120.200 -0.018 0.000 2.085 530 E HA -0.225 4.125 4.350 0.000 0.000 0.194 530 E C 2.336 178.735 176.600 -0.334 0.000 0.994 530 E CA 1.705 58.039 56.400 -0.110 0.000 0.801 530 E CB -0.543 29.230 29.700 0.122 0.000 0.743 530 E HN 0.484 nan 8.360 nan 0.000 0.453 531 L N 0.868 121.822 121.223 -0.448 0.000 2.275 531 L HA -0.095 4.245 4.340 0.000 0.000 0.215 531 L C 2.422 179.129 176.870 -0.271 0.000 1.119 531 L CA 0.441 55.001 54.840 -0.468 0.000 0.790 531 L CB -0.147 41.646 42.059 -0.443 0.000 0.919 531 L HN 0.002 nan 8.230 nan 0.000 0.443 532 S N -0.214 115.340 115.700 -0.242 0.000 2.423 532 S HA -0.120 4.350 4.470 0.000 0.000 0.231 532 S C 1.737 176.223 174.600 -0.189 0.000 1.014 532 S CA 1.071 59.156 58.200 -0.192 0.000 0.965 532 S CB -0.044 63.038 63.200 -0.197 0.000 0.785 532 S HN 0.394 nan 8.310 nan 0.000 0.495 533 K N 0.945 121.204 120.400 -0.235 0.000 2.444 533 K HA 0.144 4.464 4.320 0.000 0.000 0.193 533 K C -0.252 176.338 176.600 -0.018 0.000 1.024 533 K CA 0.070 56.280 56.287 -0.129 0.000 1.077 533 K CB 0.338 32.746 32.500 -0.152 0.000 0.833 533 K HN 0.112 nan 8.250 nan 0.000 0.517 534 V N 1.970 121.854 119.914 -0.050 0.000 2.427 534 V HA -0.030 4.090 4.120 0.000 0.000 0.268 534 V C 1.432 177.512 176.094 -0.024 0.000 1.046 534 V CA -0.009 62.288 62.300 -0.005 0.000 0.970 534 V CB 1.351 33.137 31.823 -0.061 0.000 1.001 534 V HN -0.024 nan 8.190 nan 0.000 0.476 535 V N 5.129 125.051 119.914 0.013 0.000 2.453 535 V HA -0.034 4.087 4.120 0.000 0.000 0.247 535 V C 1.324 177.409 176.094 -0.016 0.000 1.048 535 V CA 1.223 63.528 62.300 0.009 0.000 1.049 535 V CB -0.456 31.389 31.823 0.037 0.000 0.672 535 V HN 0.757 nan 8.190 nan 0.000 0.457 536 R N 0.897 121.365 120.500 -0.054 0.000 2.242 536 R HA 0.179 4.519 4.340 0.000 0.000 0.334 536 R C -1.718 174.480 176.300 -0.170 0.000 1.071 536 R CA -1.403 54.641 56.100 -0.092 0.000 0.922 536 R CB 0.629 30.816 30.300 -0.188 0.000 1.023 536 R HN 0.232 nan 8.270 nan 0.000 0.458 537 P HA -0.206 nan 4.420 nan 0.000 0.218 537 P C 0.757 178.031 177.300 -0.043 0.000 1.148 537 P CA 1.167 64.245 63.100 -0.037 0.000 0.822 537 P CB -0.005 31.708 31.700 0.022 0.000 0.784 538 Y N -1.272 119.027 120.300 -0.001 0.000 2.333 538 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 538 Y C 1.937 177.842 175.900 0.008 0.000 1.144 538 Y CA 0.821 58.922 58.100 0.001 0.000 1.228 538 Y CB -1.733 36.728 38.460 0.001 0.000 0.985 538 Y HN -0.113 nan 8.280 nan 0.000 0.542 539 I N 0.892 121.030 120.570 -0.721 0.000 2.252 539 I HA -0.237 3.933 4.170 0.000 0.000 0.245 539 I C 2.514 178.536 176.117 -0.158 0.000 1.102 539 I CA 1.360 62.416 61.300 -0.408 0.000 1.385 539 I CB -0.373 37.386 38.000 -0.403 0.000 1.064 539 I HN 0.179 nan 8.210 nan 0.000 0.414 540 R N 0.815 121.217 120.500 -0.163 0.000 2.091 540 R HA -0.197 4.143 4.340 0.000 0.000 0.238 540 R C 2.118 178.367 176.300 -0.084 0.000 1.136 540 R CA 1.552 57.571 56.100 -0.134 0.000 0.959 540 R CB -0.417 29.802 30.300 -0.135 0.000 0.856 540 R HN 0.450 nan 8.270 nan 0.000 0.437 541 E N 0.397 120.569 120.200 -0.047 0.000 2.072 541 E HA -0.146 4.204 4.350 0.000 0.000 0.191 541 E C 2.116 178.720 176.600 0.005 0.000 0.985 541 E CA 0.996 57.388 56.400 -0.012 0.000 0.801 541 E CB -0.007 29.709 29.700 0.025 0.000 0.750 541 E HN 0.268 nan 8.360 nan 0.000 0.452 542 R N 0.302 120.818 120.500 0.027 0.000 2.096 542 R HA -0.095 4.245 4.340 0.000 0.000 0.235 542 R C 2.363 178.685 176.300 0.038 0.000 1.127 542 R CA 0.987 57.116 56.100 0.048 0.000 0.968 542 R CB -0.225 30.120 30.300 0.075 0.000 0.861 542 R HN 0.063 nan 8.270 nan 0.000 0.440 543 V N 0.277 120.207 119.914 0.026 0.000 2.358 543 V HA -0.196 3.924 4.120 0.000 0.000 0.246 543 V C 2.291 178.367 176.094 -0.030 0.000 1.047 543 V CA 1.470 63.796 62.300 0.044 0.000 1.035 543 V CB -0.302 31.564 31.823 0.071 0.000 0.658 543 V HN 0.116 nan 8.190 nan 0.000 0.452 544 V N 0.565 120.436 119.914 -0.072 0.000 2.392 544 V HA -0.334 3.786 4.120 0.000 0.000 0.249 544 V C 2.315 178.371 176.094 -0.064 0.000 1.059 544 V CA 2.501 64.738 62.300 -0.105 0.000 1.051 544 V CB -0.698 31.068 31.823 -0.095 0.000 0.658 544 V HN 0.653 nan 8.190 nan 0.000 0.455 545 D N -0.876 119.519 120.400 -0.008 0.000 2.123 545 D HA -0.196 4.444 4.640 0.000 0.000 0.196 545 D C 2.286 178.669 176.300 0.139 0.000 0.992 545 D CA 1.179 55.210 54.000 0.050 0.000 0.833 545 D CB -0.023 40.824 40.800 0.080 0.000 0.954 545 D HN 0.311 nan 8.370 nan 0.000 0.455 546 Q N -0.189 119.664 119.800 0.087 0.000 2.084 546 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 546 Q C 2.566 178.601 176.000 0.059 0.000 0.978 546 Q CA 0.691 56.557 55.803 0.105 0.000 0.844 546 Q CB -0.374 28.432 28.738 0.114 0.000 0.898 546 Q HN 0.455 nan 8.270 nan 0.000 0.426 547 L N 0.062 121.249 121.223 -0.061 0.000 2.131 547 L HA -0.146 4.194 4.340 0.000 0.000 0.210 547 L C 2.353 179.114 176.870 -0.182 0.000 1.092 547 L CA 1.003 55.731 54.840 -0.186 0.000 0.759 547 L CB -0.710 41.136 42.059 -0.355 0.000 0.903 547 L HN 0.096 nan 8.230 nan 0.000 0.435 548 A N -0.622 122.112 122.820 -0.144 0.000 2.070 548 A HA -0.214 4.106 4.320 0.000 0.000 0.220 548 A C 1.782 179.188 177.584 -0.297 0.000 1.159 548 A CA 1.393 53.307 52.037 -0.206 0.000 0.656 548 A CB -0.738 18.142 19.000 -0.200 0.000 0.800 548 A HN 0.458 nan 8.150 nan 0.000 0.453 549 H N -1.231 117.632 119.070 -0.344 0.000 2.548 549 H HA 0.247 4.804 4.556 0.001 0.000 0.268 549 H C 1.587 176.639 175.328 -0.459 0.000 0.975 549 H CA 1.013 56.719 56.048 -0.569 0.000 1.195 549 H CB 0.062 29.070 29.762 -1.257 0.000 1.397 549 H HN 0.510 nan 8.280 nan 0.000 0.572 550 I N -1.152 119.321 120.570 -0.162 0.000 2.681 550 I HA 0.073 4.243 4.170 0.000 0.000 0.247 550 I C -0.115 175.930 176.117 -0.120 0.000 1.091 550 I CA 0.471 61.738 61.300 -0.055 0.000 1.442 550 I CB 0.625 38.623 38.000 -0.005 0.000 1.219 550 I HN 0.089 nan 8.210 nan 0.000 0.451 551 D N -0.404 119.855 120.400 -0.234 0.000 2.931 551 D HA 0.177 4.817 4.640 0.000 0.000 0.215 551 D C 0.249 176.382 176.300 -0.278 0.000 1.297 551 D CA -0.355 53.484 54.000 -0.269 0.000 0.892 551 D CB 1.503 42.004 40.800 -0.498 0.000 1.642 551 D HN -0.021 nan 8.370 nan 0.000 0.560 552 L N 2.760 123.876 121.223 -0.178 0.000 2.083 552 L HA -0.096 4.244 4.340 0.000 0.000 0.209 552 L C 1.357 178.146 176.870 -0.136 0.000 1.083 552 L CA 1.675 56.426 54.840 -0.148 0.000 0.752 552 L CB -0.298 41.704 42.059 -0.094 0.000 0.899 552 L HN 0.573 nan 8.230 nan 0.000 0.433 553 T N 0.518 115.012 114.554 -0.100 0.000 2.708 553 T HA -0.212 4.138 4.350 0.000 0.000 0.266 553 T C 1.767 176.400 174.700 -0.112 0.000 1.037 553 T CA 1.592 63.676 62.100 -0.028 0.000 1.146 553 T CB -0.314 68.626 68.868 0.120 0.000 0.865 553 T HN 0.276 nan 8.240 nan 0.000 0.435 554 L N 1.630 122.622 121.223 -0.385 0.000 2.017 554 L HA 0.059 4.399 4.340 0.000 0.000 0.208 554 L C 2.580 179.231 176.870 -0.364 0.000 1.073 554 L CA 2.053 56.523 54.840 -0.618 0.000 0.745 554 L CB -1.114 40.168 42.059 -1.295 0.000 0.894 554 L HN 0.204 nan 8.230 nan 0.000 0.432 555 A N -1.006 121.616 122.820 -0.330 0.000 1.877 555 A HA -0.264 4.056 4.320 0.000 0.000 0.216 555 A C 2.249 179.738 177.584 -0.158 0.000 1.186 555 A CA 1.933 53.823 52.037 -0.244 0.000 0.620 555 A CB -0.699 18.172 19.000 -0.215 0.000 0.822 555 A HN 0.680 nan 8.150 nan 0.000 0.443 556 Q N -0.890 118.839 119.800 -0.119 0.000 2.084 556 Q HA -0.130 4.211 4.340 0.000 0.000 0.202 556 Q C 2.446 178.420 176.000 -0.044 0.000 0.978 556 Q CA 1.426 57.187 55.803 -0.069 0.000 0.844 556 Q CB -0.352 28.359 28.738 -0.045 0.000 0.898 556 Q HN 0.698 nan 8.270 nan 0.000 0.426 557 A N 0.056 122.857 122.820 -0.032 0.000 1.898 557 A HA -0.116 4.204 4.320 0.000 0.000 0.216 557 A C 2.277 179.864 177.584 0.005 0.000 1.181 557 A CA 1.194 53.238 52.037 0.012 0.000 0.620 557 A CB -0.547 18.489 19.000 0.061 0.000 0.819 557 A HN 0.211 nan 8.150 nan 0.000 0.442 558 V N -0.103 119.788 119.914 -0.038 0.000 2.358 558 V HA -0.215 3.905 4.120 0.000 0.000 0.246 558 V C 3.061 179.125 176.094 -0.049 0.000 1.047 558 V CA 1.807 64.083 62.300 -0.040 0.000 1.035 558 V CB -1.243 30.508 31.823 -0.120 0.000 0.658 558 V HN 0.601 nan 8.190 nan 0.000 0.452 559 A N -0.055 122.724 122.820 -0.068 0.000 1.908 559 A HA -0.307 4.013 4.320 0.000 0.000 0.218 559 A C 2.345 179.911 177.584 -0.030 0.000 1.181 559 A CA 2.369 54.372 52.037 -0.056 0.000 0.627 559 A CB -0.532 18.432 19.000 -0.061 0.000 0.818 559 A HN 0.539 nan 8.150 nan 0.000 0.445 560 K N -0.516 119.874 120.400 -0.017 0.000 2.147 560 K HA -0.152 4.169 4.320 0.000 0.000 0.205 560 K C 1.247 177.852 176.600 0.009 0.000 1.049 560 K CA 1.448 57.734 56.287 -0.000 0.000 0.936 560 K CB -0.170 32.336 32.500 0.010 0.000 0.722 560 K HN 0.418 nan 8.250 nan 0.000 0.446 561 N N 0.441 119.149 118.700 0.014 0.000 2.459 561 N HA -0.079 4.661 4.740 0.000 0.000 0.181 561 N C 0.783 176.297 175.510 0.007 0.000 1.046 561 N CA 0.635 53.700 53.050 0.025 0.000 0.904 561 N CB 0.190 38.704 38.487 0.046 0.000 0.964 561 N HN 0.145 nan 8.380 nan 0.000 0.444 562 L N -0.555 120.661 121.223 -0.013 0.000 2.640 562 L HA 0.320 4.661 4.340 0.000 0.000 0.230 562 L C 1.178 178.036 176.870 -0.020 0.000 1.123 562 L CA 0.058 54.882 54.840 -0.028 0.000 0.900 562 L CB -0.698 41.330 42.059 -0.051 0.000 1.146 562 L HN 0.183 nan 8.230 nan 0.000 0.484 563 G N 0.589 109.383 108.800 -0.010 0.000 2.198 563 G HA2 -0.287 3.674 3.960 0.000 0.000 0.260 563 G HA3 -0.287 3.674 3.960 0.000 0.000 0.260 563 G C 0.374 175.267 174.900 -0.011 0.000 1.025 563 G CA 0.360 45.457 45.100 -0.006 0.000 0.769 563 G HN 0.313 nan 8.290 nan 0.000 0.507 564 I N -0.029 120.530 120.570 -0.018 0.000 2.460 564 I HA 0.389 4.560 4.170 0.000 0.000 0.298 564 I C 0.258 176.362 176.117 -0.022 0.000 0.989 564 I CA -0.669 60.618 61.300 -0.021 0.000 1.173 564 I CB 1.653 39.634 38.000 -0.032 0.000 1.338 564 I HN 0.015 nan 8.210 nan 0.000 0.456 565 E N 5.536 125.725 120.200 -0.019 0.000 2.133 565 E HA 0.315 4.665 4.350 0.000 0.000 0.274 565 E C -1.028 175.556 176.600 -0.026 0.000 0.930 565 E CA -0.927 55.461 56.400 -0.020 0.000 0.770 565 E CB 1.695 31.387 29.700 -0.014 0.000 1.104 565 E HN 0.271 nan 8.360 nan 0.000 0.403 566 L N 2.890 124.092 121.223 -0.035 0.000 2.461 566 L HA 0.078 4.419 4.340 0.000 0.000 0.272 566 L C 1.321 178.170 176.870 -0.035 0.000 1.197 566 L CA 0.409 55.223 54.840 -0.043 0.000 0.836 566 L CB 0.047 42.071 42.059 -0.058 0.000 1.105 566 L HN 0.618 nan 8.230 nan 0.000 0.477 567 T N -1.532 113.000 114.554 -0.036 0.000 2.816 567 T HA 0.169 4.519 4.350 0.000 0.000 0.282 567 T C 1.085 175.762 174.700 -0.038 0.000 0.993 567 T CA -0.109 61.972 62.100 -0.030 0.000 0.994 567 T CB 0.684 69.538 68.868 -0.025 0.000 1.025 567 T HN 0.635 nan 8.240 nan 0.000 0.529 568 D N 0.888 121.269 120.400 -0.031 0.000 2.177 568 D HA -0.242 4.398 4.640 0.000 0.000 0.189 568 D C 1.362 177.637 176.300 -0.041 0.000 1.002 568 D CA 1.636 55.617 54.000 -0.031 0.000 0.845 568 D CB -0.519 40.267 40.800 -0.023 0.000 0.960 568 D HN 0.558 nan 8.370 nan 0.000 0.447 569 D N 0.115 120.491 120.400 -0.040 0.000 2.104 569 D HA -0.154 4.486 4.640 0.000 0.000 0.194 569 D C 2.253 178.504 176.300 -0.080 0.000 0.994 569 D CA 1.078 55.047 54.000 -0.050 0.000 0.830 569 D CB -0.364 40.414 40.800 -0.037 0.000 0.959 569 D HN 0.446 nan 8.370 nan 0.000 0.452 570 Q N -0.490 119.260 119.800 -0.082 0.000 2.224 570 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 570 Q C 1.883 177.806 176.000 -0.128 0.000 0.970 570 Q CA 0.399 56.129 55.803 -0.122 0.000 0.865 570 Q CB 0.072 28.751 28.738 -0.099 0.000 0.922 570 Q HN 0.164 nan 8.270 nan 0.000 0.445 571 L N 0.850 122.018 121.223 -0.091 0.000 2.291 571 L HA -0.086 4.255 4.340 0.000 0.000 0.214 571 L C 1.024 177.844 176.870 -0.083 0.000 1.120 571 L CA 1.361 56.152 54.840 -0.082 0.000 0.799 571 L CB -0.190 41.835 42.059 -0.057 0.000 0.925 571 L HN 0.205 nan 8.230 nan 0.000 0.446 572 N N -0.866 117.782 118.700 -0.086 0.000 2.230 572 N HA 0.176 4.916 4.740 0.000 0.000 0.202 572 N C 0.343 175.791 175.510 -0.104 0.000 1.119 572 N CA -0.001 53.003 53.050 -0.078 0.000 0.851 572 N CB 0.459 38.912 38.487 -0.057 0.000 0.990 572 N HN 0.224 nan 8.380 nan 0.000 0.497 573 I N 1.806 122.281 120.570 -0.159 0.000 2.662 573 I HA -0.060 4.110 4.170 0.000 0.000 0.285 573 I C 0.379 176.402 176.117 -0.156 0.000 1.161 573 I CA 0.385 61.556 61.300 -0.215 0.000 1.415 573 I CB 0.155 37.902 38.000 -0.421 0.000 1.385 573 I HN -0.145 nan 8.210 nan 0.000 0.552 574 T N 8.160 122.651 114.554 -0.106 0.000 2.888 574 T HA 0.146 4.496 4.350 0.000 0.000 0.301 574 T C -2.023 172.640 174.700 -0.062 0.000 1.001 574 T CA -0.817 61.246 62.100 -0.062 0.000 1.147 574 T CB 0.110 68.962 68.868 -0.028 0.000 0.931 574 T HN 0.377 nan 8.240 nan 0.000 0.541 575 P HA 0.185 nan 4.420 nan 0.000 0.267 575 P C -2.236 175.078 177.300 0.023 0.000 1.200 575 P CA -1.242 61.845 63.100 -0.021 0.000 0.772 575 P CB -0.408 31.290 31.700 -0.003 0.000 0.855 576 P HA 0.181 nan 4.420 nan 0.000 0.272 576 P C -2.424 174.931 177.300 0.091 0.000 1.240 576 P CA -1.203 61.965 63.100 0.112 0.000 0.791 576 P CB -0.924 30.889 31.700 0.189 0.000 0.978 577 P HA 0.134 nan 4.420 nan 0.000 0.272 577 P C -0.169 177.184 177.300 0.088 0.000 1.230 577 P CA 0.086 63.235 63.100 0.081 0.000 0.788 577 P CB 0.411 32.159 31.700 0.081 0.000 0.949 578 D N -0.185 120.259 120.400 0.073 0.000 2.363 578 D HA 0.094 4.735 4.640 0.000 0.000 0.240 578 D C -0.116 176.236 176.300 0.087 0.000 1.236 578 D CA 0.039 54.080 54.000 0.068 0.000 0.927 578 D CB 0.573 41.405 40.800 0.054 0.000 1.150 578 D HN 0.004 nan 8.370 nan 0.000 0.458 579 V N 2.109 122.067 119.914 0.073 0.000 2.353 579 V HA 0.054 4.175 4.120 0.000 0.000 0.264 579 V C 0.272 176.461 176.094 0.158 0.000 1.049 579 V CA -0.433 61.942 62.300 0.124 0.000 0.896 579 V CB -0.168 31.652 31.823 -0.004 0.000 1.025 579 V HN 0.588 nan 8.190 nan 0.000 0.475 580 N N 4.475 123.283 118.700 0.180 0.000 2.716 580 N HA -0.237 4.504 4.740 0.000 0.000 0.250 580 N C 1.171 176.739 175.510 0.096 0.000 1.033 580 N CA 1.082 54.217 53.050 0.142 0.000 0.727 580 N CB -0.862 37.748 38.487 0.204 0.000 0.950 580 N HN 1.286 nan 8.380 nan 0.000 0.541 581 G N -2.109 106.736 108.800 0.075 0.000 2.199 581 G HA2 -0.322 3.638 3.960 0.000 0.000 0.254 581 G HA3 -0.322 3.638 3.960 0.000 0.000 0.254 581 G C 0.124 175.054 174.900 0.049 0.000 0.982 581 G CA 0.285 45.418 45.100 0.054 0.000 0.632 581 G HN 0.380 nan 8.290 nan 0.000 0.529 582 L N 1.255 122.511 121.223 0.056 0.000 2.349 582 L HA 0.418 4.759 4.340 0.000 0.000 0.275 582 L C 1.609 178.495 176.870 0.027 0.000 1.115 582 L CA -0.081 54.783 54.840 0.040 0.000 0.820 582 L CB 1.101 43.183 42.059 0.039 0.000 1.135 582 L HN 0.250 nan 8.230 nan 0.000 0.445 583 K N 3.543 123.953 120.400 0.017 0.000 2.387 583 K HA 0.213 4.534 4.320 0.000 0.000 0.203 583 K C -0.431 176.165 176.600 -0.007 0.000 1.030 583 K CA -0.145 56.149 56.287 0.013 0.000 1.099 583 K CB 0.595 33.102 32.500 0.012 0.000 0.863 583 K HN 0.754 nan 8.250 nan 0.000 0.529 584 K N -0.576 119.816 120.400 -0.014 0.000 3.076 584 K HA 0.180 4.500 4.320 0.000 0.000 0.314 584 K C -2.288 174.297 176.600 -0.025 0.000 1.113 584 K CA -0.780 55.483 56.287 -0.040 0.000 0.860 584 K CB 0.259 32.716 32.500 -0.072 0.000 1.435 584 K HN -0.127 nan 8.250 nan 0.000 0.374 585 D N 1.541 121.919 120.400 -0.036 0.000 2.365 585 D HA 0.275 4.915 4.640 0.000 0.000 0.235 585 D C -2.098 174.187 176.300 -0.025 0.000 1.368 585 D CA -1.874 52.123 54.000 -0.005 0.000 1.001 585 D CB 2.016 42.835 40.800 0.031 0.000 1.364 585 D HN 0.285 nan 8.370 nan 0.000 0.577 586 P HA -0.129 nan 4.420 nan 0.000 0.221 586 P C 1.252 178.545 177.300 -0.011 0.000 1.145 586 P CA 0.849 63.922 63.100 -0.045 0.000 0.795 586 P CB 0.073 31.757 31.700 -0.027 0.000 0.775 587 S N -1.254 114.471 115.700 0.041 0.000 2.547 587 S HA -0.027 4.444 4.470 0.000 0.000 0.235 587 S C 1.659 176.346 174.600 0.145 0.000 0.980 587 S CA 0.549 58.808 58.200 0.098 0.000 0.941 587 S CB -1.355 61.923 63.200 0.130 0.000 0.763 587 S HN 0.137 nan 8.310 nan 0.000 0.532 588 L N 1.121 122.393 121.223 0.082 0.000 2.477 588 L HA 0.247 4.587 4.340 0.000 0.000 0.220 588 L C 1.456 178.250 176.870 -0.126 0.000 1.106 588 L CA 0.050 54.943 54.840 0.088 0.000 0.851 588 L CB -0.170 41.930 42.059 0.069 0.000 0.994 588 L HN 0.328 nan 8.230 nan 0.000 0.462 589 S N -0.329 115.266 115.700 -0.175 0.000 2.584 589 S HA 0.264 4.734 4.470 0.000 0.000 0.273 589 S C 1.104 175.596 174.600 -0.179 0.000 1.311 589 S CA -0.577 57.465 58.200 -0.264 0.000 1.034 589 S CB 1.259 64.303 63.200 -0.259 0.000 0.939 589 S HN 0.176 nan 8.310 nan 0.000 0.513 590 L N 2.887 123.933 121.223 -0.295 0.000 2.131 590 L HA 0.034 4.375 4.340 0.000 0.000 0.206 590 L C 0.941 177.553 176.870 -0.431 0.000 1.087 590 L CA 1.119 55.689 54.840 -0.450 0.000 0.767 590 L CB -0.255 41.249 42.059 -0.925 0.000 0.917 590 L HN 0.781 nan 8.230 nan 0.000 0.441 591 Y N -2.266 118.034 120.300 0.001 0.000 2.426 591 Y HA 0.327 4.877 4.550 0.000 0.000 0.249 591 Y C 2.135 178.058 175.900 0.037 0.000 1.103 591 Y CA -0.105 58.044 58.100 0.081 0.000 1.256 591 Y CB -0.451 38.102 38.460 0.154 0.000 1.208 591 Y HN -0.033 nan 8.280 nan 0.000 0.519 592 A N 0.838 123.686 122.820 0.048 0.000 1.917 592 A HA -0.122 4.198 4.320 0.000 0.000 0.219 592 A C 0.973 178.589 177.584 0.054 0.000 1.182 592 A CA 1.252 53.289 52.037 0.000 0.000 0.633 592 A CB -0.752 18.193 19.000 -0.092 0.000 0.819 592 A HN 0.307 nan 8.150 nan 0.000 0.448 593 I N 0.998 121.605 120.570 0.063 0.000 2.328 593 I HA 0.236 4.406 4.170 0.000 0.000 0.287 593 I C -2.419 173.763 176.117 0.109 0.000 1.012 593 I CA -2.247 59.098 61.300 0.074 0.000 1.195 593 I CB 1.400 39.432 38.000 0.054 0.000 1.350 593 I HN 0.013 nan 8.210 nan 0.000 0.464 594 P HA -0.090 nan 4.420 nan 0.000 0.259 594 P C -0.139 177.233 177.300 0.120 0.000 1.155 594 P CA 0.629 63.814 63.100 0.141 0.000 0.759 594 P CB 0.361 32.128 31.700 0.112 0.000 0.753 595 D N 1.183 121.664 120.400 0.135 0.000 2.530 595 D HA 0.044 4.684 4.640 0.000 0.000 0.290 595 D C 0.603 176.962 176.300 0.098 0.000 1.398 595 D CA -0.222 53.840 54.000 0.103 0.000 0.848 595 D CB -0.482 40.374 40.800 0.094 0.000 1.279 595 D HN 0.341 nan 8.370 nan 0.000 0.483 596 G N 0.288 109.160 108.800 0.120 0.000 2.647 596 G HA2 0.304 4.265 3.960 0.000 0.000 0.234 596 G HA3 0.304 4.265 3.960 0.000 0.000 0.234 596 G C -0.583 174.358 174.900 0.069 0.000 1.252 596 G CA 0.260 45.424 45.100 0.106 0.000 0.846 596 G HN 0.193 nan 8.290 nan 0.000 0.589 597 D N -0.199 120.233 120.400 0.054 0.000 2.890 597 D HA 0.214 4.854 4.640 0.000 0.000 0.233 597 D C 0.888 177.203 176.300 0.026 0.000 1.306 597 D CA -0.402 53.617 54.000 0.031 0.000 0.929 597 D CB 1.798 42.609 40.800 0.018 0.000 1.512 597 D HN 0.344 nan 8.370 nan 0.000 0.568 598 V N 1.825 121.747 119.914 0.013 0.000 3.235 598 V HA 0.251 4.371 4.120 0.000 0.000 0.259 598 V C 1.015 177.094 176.094 -0.025 0.000 1.133 598 V CA 0.241 62.544 62.300 0.004 0.000 1.128 598 V CB -0.573 31.247 31.823 -0.005 0.000 0.757 598 V HN 0.410 nan 8.190 nan 0.000 0.469 599 K N 1.251 121.630 120.400 -0.036 0.000 2.447 599 K HA 0.361 4.681 4.320 0.000 0.000 0.281 599 K C 1.262 177.828 176.600 -0.056 0.000 1.031 599 K CA 1.064 57.308 56.287 -0.070 0.000 1.019 599 K CB 0.068 32.531 32.500 -0.061 0.000 0.918 599 K HN 0.720 nan 8.250 nan 0.000 0.476 600 G N 3.394 112.134 108.800 -0.100 0.000 2.234 600 G HA2 -0.212 3.749 3.960 0.000 0.000 0.235 600 G HA3 -0.212 3.749 3.960 0.000 0.000 0.235 600 G C 0.095 175.049 174.900 0.089 0.000 0.997 600 G CA -0.312 44.801 45.100 0.023 0.000 0.623 600 G HN 0.560 nan 8.290 nan 0.000 0.514 601 R N -0.012 120.510 120.500 0.038 0.000 2.801 601 R HA 0.590 4.930 4.340 0.000 0.000 0.273 601 R C 0.270 176.631 176.300 0.102 0.000 1.080 601 R CA 0.053 56.201 56.100 0.080 0.000 1.197 601 R CB 0.450 30.789 30.300 0.066 0.000 1.109 601 R HN 0.432 nan 8.270 nan 0.000 0.535 602 V N 0.659 120.649 119.914 0.126 0.000 2.709 602 V HA 0.390 4.510 4.120 0.000 0.000 0.308 602 V C -0.233 175.926 176.094 0.109 0.000 1.062 602 V CA -0.923 61.464 62.300 0.145 0.000 0.901 602 V CB 2.330 34.258 31.823 0.174 0.000 1.003 602 V HN 0.364 nan 8.190 nan 0.000 0.425 603 V N 2.587 122.559 119.914 0.097 0.000 2.581 603 V HA 0.820 4.941 4.120 0.000 0.000 0.303 603 V C 0.393 176.541 176.094 0.091 0.000 1.041 603 V CA -0.561 61.785 62.300 0.077 0.000 0.907 603 V CB 1.981 33.835 31.823 0.051 0.000 0.994 603 V HN 1.060 nan 8.190 nan 0.000 0.442 604 A N 5.506 128.384 122.820 0.096 0.000 2.290 604 A HA 0.803 5.123 4.320 0.000 0.000 0.310 604 A C -0.558 177.034 177.584 0.014 0.000 1.202 604 A CA -0.341 51.744 52.037 0.081 0.000 0.837 604 A CB 0.157 19.251 19.000 0.156 0.000 1.139 604 A HN 0.760 nan 8.150 nan 0.000 0.509 605 I N 3.560 124.133 120.570 0.006 0.000 2.355 605 I HA 0.213 4.383 4.170 0.000 0.000 0.288 605 I C -0.609 175.502 176.117 -0.011 0.000 0.999 605 I CA -0.223 61.079 61.300 0.003 0.000 1.163 605 I CB 1.388 39.407 38.000 0.031 0.000 1.316 605 I HN 0.498 nan 8.210 nan 0.000 0.454 606 L N 7.327 128.515 121.223 -0.059 0.000 2.283 606 L HA 0.423 4.763 4.340 0.000 0.000 0.287 606 L C -0.057 176.880 176.870 0.112 0.000 1.073 606 L CA -0.332 54.502 54.840 -0.010 0.000 0.822 606 L CB 0.244 42.126 42.059 -0.295 0.000 1.186 606 L HN 0.437 nan 8.230 nan 0.000 0.436 607 L N 3.543 124.901 121.223 0.224 0.000 2.439 607 L HA 0.400 4.740 4.340 0.000 0.000 0.259 607 L C 0.063 177.085 176.870 0.254 0.000 1.129 607 L CA -0.527 54.400 54.840 0.145 0.000 0.803 607 L CB 1.237 43.292 42.059 -0.008 0.000 1.161 607 L HN 0.705 nan 8.230 nan 0.000 0.462 608 N N -2.055 116.687 118.700 0.069 0.000 2.761 608 N HA 0.230 4.970 4.740 0.000 0.000 0.283 608 N C -0.308 175.137 175.510 -0.109 0.000 1.377 608 N CA -0.735 52.395 53.050 0.133 0.000 0.791 608 N CB 0.620 39.204 38.487 0.160 0.000 1.540 608 N HN 0.532 nan 8.380 nan 0.000 0.539 609 D N -1.961 118.430 120.400 -0.015 0.000 2.363 609 D HA 0.008 4.648 4.640 0.000 0.000 0.220 609 D C -0.369 175.888 176.300 -0.072 0.000 0.994 609 D CA 0.784 54.724 54.000 -0.099 0.000 0.890 609 D CB -0.035 40.780 40.800 0.024 0.000 0.906 609 D HN 0.658 nan 8.370 nan 0.000 0.530 610 E N 0.159 120.335 120.200 -0.040 0.000 3.544 610 E HA 0.228 4.578 4.350 0.000 0.000 0.264 610 E C -1.296 175.288 176.600 -0.027 0.000 1.225 610 E CA -0.372 56.008 56.400 -0.033 0.000 1.045 610 E CB 1.034 30.724 29.700 -0.016 0.000 1.338 610 E HN -0.103 nan 8.360 nan 0.000 0.395 611 V N 1.772 121.662 119.914 -0.040 0.000 2.763 611 V HA 0.096 4.217 4.120 0.000 0.000 0.306 611 V C 0.851 176.929 176.094 -0.028 0.000 1.059 611 V CA -0.114 62.169 62.300 -0.029 0.000 1.138 611 V CB 0.638 32.438 31.823 -0.038 0.000 0.940 611 V HN 0.424 nan 8.190 nan 0.000 0.489 612 R N 3.487 123.971 120.500 -0.026 0.000 2.488 612 R HA 0.051 4.392 4.340 0.000 0.000 0.306 612 R C 1.748 178.027 176.300 -0.036 0.000 1.271 612 R CA 0.663 56.743 56.100 -0.033 0.000 1.022 612 R CB -0.535 29.740 30.300 -0.041 0.000 1.054 612 R HN 1.011 nan 8.270 nan 0.000 0.500 613 S N 1.460 117.140 115.700 -0.032 0.000 2.407 613 S HA -0.314 4.157 4.470 0.000 0.000 0.235 613 S C 1.967 176.549 174.600 -0.030 0.000 1.036 613 S CA 1.249 59.432 58.200 -0.029 0.000 1.013 613 S CB -0.177 63.007 63.200 -0.026 0.000 0.820 613 S HN 0.548 nan 8.310 nan 0.000 0.476 614 A N 1.935 124.734 122.820 -0.035 0.000 1.972 614 A HA -0.085 4.235 4.320 0.000 0.000 0.219 614 A C 1.978 179.531 177.584 -0.051 0.000 1.169 614 A CA 1.565 53.579 52.037 -0.039 0.000 0.635 614 A CB -0.700 18.275 19.000 -0.041 0.000 0.810 614 A HN 0.539 nan 8.150 nan 0.000 0.446 615 D N 0.013 120.374 120.400 -0.065 0.000 2.084 615 D HA -0.095 4.545 4.640 0.000 0.000 0.196 615 D C 1.996 178.267 176.300 -0.047 0.000 0.985 615 D CA 0.802 54.748 54.000 -0.090 0.000 0.826 615 D CB -0.447 40.285 40.800 -0.113 0.000 0.978 615 D HN 0.364 nan 8.370 nan 0.000 0.456 616 L N 0.527 121.733 121.223 -0.029 0.000 2.043 616 L HA -0.207 4.134 4.340 0.000 0.000 0.212 616 L C 2.531 179.400 176.870 -0.003 0.000 1.075 616 L CA 0.916 55.751 54.840 -0.009 0.000 0.752 616 L CB -0.310 41.744 42.059 -0.009 0.000 0.891 616 L HN 0.087 nan 8.230 nan 0.000 0.432 617 L N -0.873 120.344 121.223 -0.010 0.000 2.017 617 L HA -0.212 4.128 4.340 0.000 0.000 0.208 617 L C 2.832 179.704 176.870 0.002 0.000 1.073 617 L CA 1.318 56.155 54.840 -0.004 0.000 0.745 617 L CB -0.751 41.303 42.059 -0.008 0.000 0.894 617 L HN 0.246 nan 8.230 nan 0.000 0.432 618 A N 0.246 123.064 122.820 -0.004 0.000 1.902 618 A HA -0.181 4.139 4.320 0.000 0.000 0.217 618 A C 2.231 179.835 177.584 0.033 0.000 1.181 618 A CA 1.546 53.588 52.037 0.008 0.000 0.623 618 A CB -0.684 18.311 19.000 -0.008 0.000 0.818 618 A HN 0.335 nan 8.150 nan 0.000 0.443 619 I N -0.348 120.243 120.570 0.036 0.000 2.076 619 I HA -0.296 3.874 4.170 0.000 0.000 0.237 619 I C 2.375 178.522 176.117 0.050 0.000 1.059 619 I CA 1.559 62.900 61.300 0.069 0.000 1.317 619 I CB -0.425 37.617 38.000 0.070 0.000 1.037 619 I HN 0.281 nan 8.210 nan 0.000 0.398 620 L N 0.446 121.690 121.223 0.034 0.000 2.201 620 L HA -0.190 4.151 4.340 0.000 0.000 0.212 620 L C 2.575 179.458 176.870 0.022 0.000 1.105 620 L CA 1.098 55.955 54.840 0.029 0.000 0.775 620 L CB -0.541 41.533 42.059 0.025 0.000 0.913 620 L HN 0.286 nan 8.230 nan 0.000 0.440 621 K N 0.772 121.184 120.400 0.019 0.000 2.062 621 K HA -0.127 4.193 4.320 0.000 0.000 0.205 621 K C 2.172 178.780 176.600 0.013 0.000 1.051 621 K CA 1.207 57.502 56.287 0.014 0.000 0.941 621 K CB -0.038 32.469 32.500 0.012 0.000 0.719 621 K HN 0.203 nan 8.250 nan 0.000 0.440 622 A N 1.509 124.342 122.820 0.021 0.000 1.898 622 A HA -0.070 4.251 4.320 0.000 0.000 0.216 622 A C 2.133 179.722 177.584 0.008 0.000 1.181 622 A CA 1.127 53.176 52.037 0.020 0.000 0.620 622 A CB -0.594 18.429 19.000 0.039 0.000 0.819 622 A HN 0.315 nan 8.150 nan 0.000 0.442 623 L N -0.629 120.600 121.223 0.010 0.000 2.017 623 L HA -0.222 4.119 4.340 0.000 0.000 0.208 623 L C 2.646 179.497 176.870 -0.031 0.000 1.073 623 L CA 2.065 56.899 54.840 -0.009 0.000 0.745 623 L CB -0.466 41.595 42.059 0.004 0.000 0.894 623 L HN 0.478 nan 8.230 nan 0.000 0.432 624 K N 0.422 120.812 120.400 -0.017 0.000 2.152 624 K HA -0.187 4.133 4.320 0.000 0.000 0.206 624 K C 2.029 178.612 176.600 -0.029 0.000 1.048 624 K CA 1.339 57.612 56.287 -0.023 0.000 0.933 624 K CB -0.087 32.412 32.500 -0.001 0.000 0.721 624 K HN 0.280 nan 8.250 nan 0.000 0.447 625 A N 0.768 123.576 122.820 -0.019 0.000 2.015 625 A HA -0.082 4.239 4.320 0.000 0.000 0.219 625 A C 1.512 179.079 177.584 -0.028 0.000 1.163 625 A CA 1.232 53.258 52.037 -0.018 0.000 0.646 625 A CB -0.120 18.875 19.000 -0.008 0.000 0.806 625 A HN 0.144 nan 8.150 nan 0.000 0.448 626 K N -1.321 119.056 120.400 -0.038 0.000 2.374 626 K HA 0.200 4.521 4.320 0.000 0.000 0.196 626 K C 1.019 177.571 176.600 -0.080 0.000 1.023 626 K CA 0.642 56.901 56.287 -0.046 0.000 1.103 626 K CB -0.007 32.470 32.500 -0.037 0.000 0.848 626 K HN 0.729 nan 8.250 nan 0.000 0.528 627 G N 1.315 110.049 108.800 -0.109 0.000 2.143 627 G HA2 -0.230 3.730 3.960 0.000 0.000 0.248 627 G HA3 -0.230 3.730 3.960 0.000 0.000 0.248 627 G C 0.045 174.739 174.900 -0.343 0.000 0.991 627 G CA 0.220 45.208 45.100 -0.188 0.000 0.689 627 G HN 0.112 nan 8.290 nan 0.000 0.522 628 V N 1.017 120.775 119.914 -0.260 0.000 2.465 628 V HA 0.501 4.621 4.120 0.000 0.000 0.279 628 V C 0.784 176.722 176.094 -0.259 0.000 1.045 628 V CA -0.719 61.435 62.300 -0.244 0.000 0.938 628 V CB 1.058 32.826 31.823 -0.092 0.000 0.986 628 V HN 0.442 nan 8.190 nan 0.000 0.467 629 H N 1.873 120.958 119.070 0.024 0.000 2.508 629 H HA 0.770 5.327 4.556 0.000 0.000 0.358 629 H C 0.203 175.553 175.328 0.037 0.000 1.212 629 H CA 0.099 56.164 56.048 0.028 0.000 1.356 629 H CB 1.213 30.994 29.762 0.032 0.000 1.525 629 H HN 0.847 nan 8.280 nan 0.000 0.578 630 A N 1.083 124.012 122.820 0.181 0.000 2.475 630 A HA 0.535 4.855 4.320 0.000 0.000 0.301 630 A C -1.151 176.493 177.584 0.101 0.000 1.059 630 A CA -1.014 51.091 52.037 0.113 0.000 0.710 630 A CB 1.202 20.250 19.000 0.080 0.000 1.288 630 A HN 0.786 nan 8.150 nan 0.000 0.408 631 K N 2.343 122.796 120.400 0.089 0.000 2.463 631 K HA 0.674 4.994 4.320 0.000 0.000 0.255 631 K C -1.686 174.953 176.600 0.065 0.000 0.942 631 K CA -0.497 55.837 56.287 0.078 0.000 0.814 631 K CB 1.364 33.920 32.500 0.094 0.000 1.122 631 K HN 0.515 nan 8.250 nan 0.000 0.425 632 L N 4.499 125.753 121.223 0.052 0.000 2.261 632 L HA 0.303 4.644 4.340 0.000 0.000 0.289 632 L C -0.762 176.140 176.870 0.054 0.000 1.059 632 L CA -1.054 53.813 54.840 0.045 0.000 0.816 632 L CB 0.442 42.516 42.059 0.025 0.000 1.191 632 L HN 0.496 nan 8.230 nan 0.000 0.431 633 L N 4.368 125.641 121.223 0.084 0.000 2.334 633 L HA 0.583 4.923 4.340 0.000 0.000 0.273 633 L C -0.434 176.504 176.870 0.114 0.000 1.013 633 L CA -0.356 54.542 54.840 0.097 0.000 0.816 633 L CB 1.467 43.629 42.059 0.171 0.000 1.278 633 L HN 0.321 nan 8.230 nan 0.000 0.431 634 Y N -0.533 119.509 120.300 -0.430 0.000 2.896 634 Y HA 0.322 4.872 4.550 0.000 0.000 0.317 634 Y C 0.957 176.136 175.900 -1.203 0.000 1.444 634 Y CA -0.669 57.006 58.100 -0.708 0.000 1.084 634 Y CB 1.551 39.846 38.460 -0.275 0.000 1.382 634 Y HN 0.562 nan 8.280 nan 0.000 0.471 635 S N 0.565 115.331 115.700 -1.558 0.000 2.593 635 S HA 0.264 4.734 4.470 0.000 0.000 0.217 635 S C -0.018 174.237 174.600 -0.575 0.000 0.966 635 S CA 0.256 57.839 58.200 -1.029 0.000 0.914 635 S CB -0.191 62.518 63.200 -0.817 0.000 0.776 635 S HN 0.606 nan 8.310 nan 0.000 0.523 636 R N -1.247 118.991 120.500 -0.437 0.000 2.752 636 R HA 0.617 4.957 4.340 0.000 0.000 0.271 636 R C -0.927 175.349 176.300 -0.041 0.000 1.026 636 R CA -1.075 54.924 56.100 -0.168 0.000 0.901 636 R CB 0.484 30.727 30.300 -0.096 0.000 1.243 636 R HN -0.074 nan 8.270 nan 0.000 0.463 637 M N 0.298 119.885 119.600 -0.021 0.000 2.219 637 M HA 0.520 5.000 4.480 0.000 0.000 0.280 637 M C 1.070 177.387 176.300 0.028 0.000 1.189 637 M CA 0.981 56.284 55.300 0.005 0.000 1.010 637 M CB 0.582 33.179 32.600 -0.006 0.000 1.422 637 M HN 1.052 nan 8.290 nan 0.000 0.504 638 G N 0.858 109.669 108.800 0.019 0.000 2.826 638 G HA2 -0.122 3.839 3.960 0.000 0.000 0.233 638 G HA3 -0.122 3.839 3.960 0.000 0.000 0.233 638 G C -0.789 174.114 174.900 0.006 0.000 1.296 638 G CA 0.101 45.210 45.100 0.015 0.000 1.001 638 G HN 0.911 nan 8.290 nan 0.000 0.576 639 E N -1.215 118.983 120.200 -0.003 0.000 2.430 639 E HA 0.654 5.004 4.350 0.000 0.000 0.279 639 E C -0.544 176.008 176.600 -0.081 0.000 1.003 639 E CA -0.678 55.699 56.400 -0.038 0.000 0.801 639 E CB 2.358 32.040 29.700 -0.030 0.000 1.313 639 E HN 1.652 nan 8.360 nan 0.000 0.459 640 V N -2.071 117.758 119.914 -0.142 0.000 3.126 640 V HA 0.808 4.929 4.120 0.000 0.000 0.314 640 V C -0.573 175.446 176.094 -0.124 0.000 1.138 640 V CA -0.665 61.515 62.300 -0.199 0.000 1.034 640 V CB 1.837 33.418 31.823 -0.405 0.000 1.075 640 V HN 0.766 nan 8.190 nan 0.000 0.442 641 T N 1.928 116.418 114.554 -0.106 0.000 2.840 641 T HA 0.783 5.133 4.350 0.000 0.000 0.287 641 T C 0.143 174.804 174.700 -0.065 0.000 0.991 641 T CA 0.248 62.307 62.100 -0.069 0.000 0.964 641 T CB 1.200 70.040 68.868 -0.047 0.000 0.954 641 T HN 1.343 nan 8.240 nan 0.000 0.438 642 A N 2.428 125.215 122.820 -0.055 0.000 2.310 642 A HA 0.376 4.697 4.320 0.000 0.000 0.260 642 A C 1.629 179.192 177.584 -0.035 0.000 1.112 642 A CA -0.188 51.821 52.037 -0.047 0.000 0.804 642 A CB 0.065 19.041 19.000 -0.040 0.000 1.081 642 A HN 0.911 nan 8.150 nan 0.000 0.499 643 D N 0.254 120.636 120.400 -0.030 0.000 2.149 643 D HA -0.242 4.398 4.640 0.000 0.000 0.194 643 D C 0.791 177.078 176.300 -0.021 0.000 1.001 643 D CA 1.847 55.833 54.000 -0.024 0.000 0.849 643 D CB -0.515 40.272 40.800 -0.022 0.000 0.939 643 D HN 0.632 nan 8.370 nan 0.000 0.449 644 D N -1.306 119.081 120.400 -0.022 0.000 2.349 644 D HA 0.138 4.778 4.640 0.000 0.000 0.224 644 D C 1.682 177.971 176.300 -0.018 0.000 1.029 644 D CA 0.790 54.779 54.000 -0.018 0.000 0.879 644 D CB -0.146 40.644 40.800 -0.018 0.000 0.906 644 D HN 0.491 nan 8.370 nan 0.000 0.528 645 G N -0.306 108.481 108.800 -0.021 0.000 2.176 645 G HA2 -0.239 3.721 3.960 0.000 0.000 0.232 645 G HA3 -0.239 3.721 3.960 0.000 0.000 0.232 645 G C 0.311 175.198 174.900 -0.021 0.000 0.986 645 G CA 0.141 45.229 45.100 -0.020 0.000 0.643 645 G HN 0.433 nan 8.290 nan 0.000 0.522 646 T N 1.287 115.827 114.554 -0.023 0.000 2.834 646 T HA 0.436 4.787 4.350 0.000 0.000 0.298 646 T C 0.563 175.246 174.700 -0.030 0.000 0.966 646 T CA -0.058 62.029 62.100 -0.023 0.000 1.141 646 T CB 2.368 71.223 68.868 -0.021 0.000 0.905 646 T HN 0.440 nan 8.240 nan 0.000 0.535 647 V N 5.795 125.694 119.914 -0.026 0.000 2.389 647 V HA 0.234 4.354 4.120 0.000 0.000 0.264 647 V C 0.185 176.260 176.094 -0.032 0.000 1.049 647 V CA -0.489 61.793 62.300 -0.031 0.000 0.932 647 V CB 0.148 31.957 31.823 -0.024 0.000 1.011 647 V HN 0.685 nan 8.190 nan 0.000 0.475 648 L N 8.771 129.965 121.223 -0.047 0.000 2.262 648 L HA 0.449 4.789 4.340 0.000 0.000 0.288 648 L C -2.200 174.642 176.870 -0.046 0.000 1.035 648 L CA -1.761 53.052 54.840 -0.045 0.000 0.820 648 L CB 1.421 43.443 42.059 -0.062 0.000 1.204 648 L HN 0.400 nan 8.230 nan 0.000 0.424 649 P HA 0.202 nan 4.420 nan 0.000 0.276 649 P C -0.476 176.818 177.300 -0.010 0.000 1.235 649 P CA -0.024 63.067 63.100 -0.015 0.000 0.772 649 P CB 0.962 32.660 31.700 -0.004 0.000 0.871 650 I N 2.558 123.125 120.570 -0.005 0.000 2.342 650 I HA 0.206 4.377 4.170 0.000 0.000 0.291 650 I C 1.579 177.704 176.117 0.014 0.000 1.010 650 I CA -0.321 60.984 61.300 0.008 0.000 1.308 650 I CB 1.338 39.352 38.000 0.024 0.000 1.400 650 I HN 0.355 nan 8.210 nan 0.000 0.488 651 A N 5.227 128.060 122.820 0.022 0.000 1.935 651 A HA 0.606 4.927 4.320 0.000 0.000 0.214 651 A C 0.980 178.580 177.584 0.026 0.000 1.178 651 A CA 1.170 53.223 52.037 0.027 0.000 0.640 651 A CB 0.048 19.070 19.000 0.038 0.000 0.825 651 A HN 0.808 nan 8.150 nan 0.000 0.447 652 A N -2.024 120.810 122.820 0.024 0.000 2.566 652 A HA 0.577 4.897 4.320 0.000 0.000 0.290 652 A C -0.011 177.560 177.584 -0.023 0.000 1.071 652 A CA 0.110 52.158 52.037 0.018 0.000 0.658 652 A CB -0.261 18.771 19.000 0.053 0.000 1.285 652 A HN 0.772 nan 8.150 nan 0.000 0.427 653 T N -1.740 112.787 114.554 -0.044 0.000 2.824 653 T HA 0.563 4.914 4.350 0.000 0.000 0.277 653 T C 0.935 175.636 174.700 0.003 0.000 0.975 653 T CA 0.061 62.068 62.100 -0.155 0.000 0.966 653 T CB 0.107 68.888 68.868 -0.145 0.000 1.054 653 T HN 0.464 nan 8.240 nan 0.000 0.533 654 F N 0.238 120.205 119.950 0.028 0.000 2.171 654 F HA 0.029 4.557 4.527 0.001 0.000 0.300 654 F C 2.941 178.863 175.800 0.203 0.000 1.090 654 F CA 0.640 58.704 58.000 0.106 0.000 1.293 654 F CB -0.445 38.592 39.000 0.061 0.000 1.013 654 F HN 0.691 nan 8.300 nan 0.000 0.486 655 A N 0.250 123.231 122.820 0.269 0.000 1.975 655 A HA 0.088 4.408 4.320 0.000 0.000 0.215 655 A C 2.397 180.055 177.584 0.123 0.000 1.170 655 A CA 1.224 53.366 52.037 0.174 0.000 0.656 655 A CB -1.308 17.750 19.000 0.097 0.000 0.821 655 A HN 0.367 nan 8.150 nan 0.000 0.449 656 G N -0.594 108.267 108.800 0.102 0.000 2.422 656 G HA2 0.244 4.204 3.960 0.000 0.000 0.218 656 G HA3 0.244 4.204 3.960 0.000 0.000 0.218 656 G C 0.684 175.641 174.900 0.096 0.000 1.140 656 G CA 1.034 46.177 45.100 0.072 0.000 0.775 656 G HN 1.096 nan 8.290 nan 0.000 0.545 657 A N 0.699 123.614 122.820 0.158 0.000 3.030 657 A HA 0.696 5.016 4.320 0.000 0.000 0.335 657 A C -2.655 175.085 177.584 0.260 0.000 1.089 657 A CA -1.156 50.985 52.037 0.174 0.000 0.807 657 A CB 1.214 20.315 19.000 0.169 0.000 1.099 657 A HN 0.093 nan 8.150 nan 0.000 0.474 658 P HA -0.005 nan 4.420 nan 0.000 0.270 658 P C 1.406 178.552 177.300 -0.257 0.000 1.221 658 P CA 0.540 63.608 63.100 -0.054 0.000 0.788 658 P CB 0.706 32.350 31.700 -0.094 0.000 0.904 659 S N 1.019 116.186 115.700 -0.888 0.000 2.419 659 S HA -0.169 4.301 4.470 0.000 0.000 0.235 659 S C 1.784 176.224 174.600 -0.267 0.000 1.019 659 S CA 1.160 58.953 58.200 -0.678 0.000 0.982 659 S CB -1.373 61.329 63.200 -0.830 0.000 0.789 659 S HN 0.343 nan 8.310 nan 0.000 0.490 660 L N 1.849 122.929 121.223 -0.238 0.000 2.081 660 L HA -0.122 4.219 4.340 0.000 0.000 0.212 660 L C 3.039 179.743 176.870 -0.278 0.000 1.080 660 L CA 1.746 56.447 54.840 -0.232 0.000 0.754 660 L CB -1.554 40.348 42.059 -0.263 0.000 0.893 660 L HN 0.642 nan 8.230 nan 0.000 0.433 661 T N -3.022 111.433 114.554 -0.166 0.000 3.113 661 T HA 0.159 4.509 4.350 0.000 0.000 0.256 661 T C 0.463 175.245 174.700 0.137 0.000 1.131 661 T CA 0.234 62.322 62.100 -0.021 0.000 1.074 661 T CB -0.505 68.434 68.868 0.119 0.000 0.944 661 T HN 0.174 nan 8.240 nan 0.000 0.516 662 V N -2.405 117.557 119.914 0.080 0.000 3.019 662 V HA 0.563 4.684 4.120 0.000 0.000 0.317 662 V C 0.077 176.212 176.094 0.068 0.000 1.094 662 V CA -0.969 61.401 62.300 0.116 0.000 1.000 662 V CB 2.079 33.986 31.823 0.140 0.000 1.060 662 V HN -0.010 nan 8.190 nan 0.000 0.443 663 D N 0.966 121.410 120.400 0.075 0.000 2.346 663 D HA 0.456 5.096 4.640 0.000 0.000 0.206 663 D C 0.564 176.849 176.300 -0.025 0.000 1.001 663 D CA 1.500 55.520 54.000 0.032 0.000 0.871 663 D CB 1.437 42.280 40.800 0.072 0.000 0.943 663 D HN 0.945 nan 8.370 nan 0.000 0.518 664 A N 0.066 122.887 122.820 0.003 0.000 2.610 664 A HA 0.561 4.881 4.320 0.000 0.000 0.291 664 A C -1.540 176.057 177.584 0.021 0.000 1.086 664 A CA -0.531 51.492 52.037 -0.022 0.000 0.677 664 A CB 1.659 20.634 19.000 -0.041 0.000 1.278 664 A HN -0.109 nan 8.150 nan 0.000 0.414 665 V N 1.034 120.951 119.914 0.006 0.000 2.638 665 V HA 0.553 4.674 4.120 0.000 0.000 0.306 665 V C -0.794 175.297 176.094 -0.006 0.000 1.052 665 V CA -0.169 62.147 62.300 0.025 0.000 0.885 665 V CB 1.544 33.401 31.823 0.056 0.000 0.999 665 V HN 0.698 nan 8.190 nan 0.000 0.424 666 I N 4.405 124.978 120.570 0.006 0.000 2.436 666 I HA 0.564 4.734 4.170 0.000 0.000 0.289 666 I C -0.920 175.217 176.117 0.033 0.000 1.010 666 I CA -0.887 60.443 61.300 0.049 0.000 1.098 666 I CB 2.282 40.338 38.000 0.093 0.000 1.266 666 I HN 0.294 nan 8.210 nan 0.000 0.434 667 V N 7.709 127.662 119.914 0.065 0.000 2.376 667 V HA 0.364 4.485 4.120 0.000 0.000 0.287 667 V C -2.255 173.891 176.094 0.087 0.000 1.015 667 V CA -1.673 60.651 62.300 0.040 0.000 0.834 667 V CB 1.385 33.206 31.823 -0.003 0.000 1.001 667 V HN 0.536 nan 8.190 nan 0.000 0.428 668 P HA 0.242 nan 4.420 nan 0.000 0.277 668 P C 0.239 177.551 177.300 0.021 0.000 1.240 668 P CA -0.263 62.845 63.100 0.014 0.000 0.798 668 P CB 1.059 32.760 31.700 0.002 0.000 0.979 669 C N 1.333 120.623 119.300 -0.017 0.000 2.776 669 C HA 0.660 5.120 4.460 0.000 0.000 0.300 669 C C 1.376 176.367 174.990 0.002 0.000 1.462 669 C CA 1.700 60.715 59.018 -0.005 0.000 2.246 669 C CB -0.984 26.735 27.740 -0.035 0.000 2.203 669 C HN 0.933 nan 8.230 nan 0.000 0.701 670 G N 1.354 110.154 108.800 0.001 0.000 2.225 670 G HA2 -0.019 3.941 3.960 0.000 0.000 0.203 670 G HA3 -0.019 3.941 3.960 0.000 0.000 0.203 670 G C -0.879 174.027 174.900 0.010 0.000 1.335 670 G CA 0.104 45.205 45.100 0.001 0.000 1.183 670 G HN 0.981 nan 8.290 nan 0.000 0.488 671 N N 1.882 120.594 118.700 0.020 0.000 2.807 671 N HA 0.262 5.003 4.740 0.000 0.000 0.259 671 N C 1.746 177.285 175.510 0.049 0.000 1.149 671 N CA -0.469 52.596 53.050 0.026 0.000 1.042 671 N CB -0.201 38.303 38.487 0.028 0.000 1.367 671 N HN 0.405 nan 8.380 nan 0.000 0.516 672 I N 1.382 121.971 120.570 0.032 0.000 2.264 672 I HA -0.246 3.924 4.170 0.000 0.000 0.248 672 I C 2.140 178.265 176.117 0.013 0.000 1.111 672 I CA 0.811 62.130 61.300 0.033 0.000 1.382 672 I CB -1.609 36.368 38.000 -0.037 0.000 1.060 672 I HN 0.507 nan 8.210 nan 0.000 0.418 673 A N 0.855 123.671 122.820 -0.006 0.000 1.971 673 A HA -0.339 3.982 4.320 0.000 0.000 0.222 673 A C 2.118 179.726 177.584 0.040 0.000 1.182 673 A CA 2.458 54.492 52.037 -0.003 0.000 0.649 673 A CB -0.960 18.040 19.000 0.001 0.000 0.818 673 A HN 0.448 nan 8.150 nan 0.000 0.458 674 D N -0.087 120.361 120.400 0.079 0.000 2.158 674 D HA -0.160 4.481 4.640 0.000 0.000 0.197 674 D C 1.531 177.930 176.300 0.165 0.000 0.995 674 D CA 1.823 55.899 54.000 0.127 0.000 0.846 674 D CB -0.193 40.712 40.800 0.174 0.000 0.941 674 D HN 0.691 nan 8.370 nan 0.000 0.456 675 I N -4.394 116.295 120.570 0.199 0.000 4.240 675 I HA 0.480 4.650 4.170 0.000 0.000 0.331 675 I C 1.762 178.040 176.117 0.268 0.000 1.381 675 I CA -0.093 61.367 61.300 0.268 0.000 1.136 675 I CB 0.142 38.368 38.000 0.376 0.000 1.137 675 I HN -0.101 nan 8.210 nan 0.000 0.411 676 A N 1.534 124.407 122.820 0.088 0.000 2.024 676 A HA -0.151 4.169 4.320 0.000 0.000 0.220 676 A C 1.533 179.111 177.584 -0.009 0.000 1.164 676 A CA 1.945 53.905 52.037 -0.127 0.000 0.643 676 A CB -0.428 18.429 19.000 -0.239 0.000 0.806 676 A HN 0.534 nan 8.150 nan 0.000 0.451 677 D N -0.820 119.610 120.400 0.049 0.000 2.440 677 D HA 0.030 4.671 4.640 0.000 0.000 0.216 677 D C -0.119 176.233 176.300 0.087 0.000 1.150 677 D CA -0.182 53.850 54.000 0.053 0.000 0.832 677 D CB -0.143 40.673 40.800 0.027 0.000 0.992 677 D HN 0.306 nan 8.370 nan 0.000 0.502 678 N N 1.229 120.010 118.700 0.134 0.000 2.401 678 N HA 0.036 4.777 4.740 0.000 0.000 0.255 678 N C 1.371 176.960 175.510 0.131 0.000 1.110 678 N CA -0.004 53.130 53.050 0.139 0.000 0.949 678 N CB 1.397 40.004 38.487 0.201 0.000 1.110 678 N HN 0.002 nan 8.380 nan 0.000 0.490 679 G N 3.344 112.206 108.800 0.104 0.000 2.442 679 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 679 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 679 G C 0.992 175.967 174.900 0.125 0.000 1.141 679 G CA 0.590 45.748 45.100 0.097 0.000 0.763 679 G HN 0.559 nan 8.290 nan 0.000 0.554 680 D N 0.654 121.142 120.400 0.147 0.000 2.144 680 D HA 0.062 4.703 4.640 0.000 0.000 0.200 680 D C 2.803 179.154 176.300 0.085 0.000 0.978 680 D CA 1.117 55.237 54.000 0.200 0.000 0.833 680 D CB -0.386 40.587 40.800 0.290 0.000 0.961 680 D HN 0.294 nan 8.370 nan 0.000 0.470 681 A N 0.868 123.642 122.820 -0.077 0.000 1.902 681 A HA -0.180 4.140 4.320 0.000 0.000 0.217 681 A C 2.007 179.409 177.584 -0.302 0.000 1.181 681 A CA 1.253 52.987 52.037 -0.504 0.000 0.623 681 A CB -0.471 18.279 19.000 -0.415 0.000 0.818 681 A HN 0.158 nan 8.150 nan 0.000 0.443 682 N N -1.539 117.138 118.700 -0.037 0.000 2.106 682 N HA -0.176 4.564 4.740 0.000 0.000 0.188 682 N C 1.715 177.225 175.510 -0.001 0.000 1.029 682 N CA 1.727 54.790 53.050 0.021 0.000 0.848 682 N CB -0.449 38.128 38.487 0.149 0.000 1.007 682 N HN 0.677 nan 8.380 nan 0.000 0.423 683 Y N 0.641 120.915 120.300 -0.043 0.000 2.274 683 Y HA -0.282 4.268 4.550 0.000 0.000 0.290 683 Y C 2.392 178.245 175.900 -0.078 0.000 1.145 683 Y CA 1.275 59.343 58.100 -0.052 0.000 1.203 683 Y CB -0.321 38.119 38.460 -0.034 0.000 0.984 683 Y HN 0.042 nan 8.280 nan 0.000 0.533 684 Y N 0.332 120.489 120.300 -0.239 0.000 2.114 684 Y HA -0.325 4.225 4.550 0.000 0.000 0.282 684 Y C 2.056 177.745 175.900 -0.353 0.000 1.165 684 Y CA 2.129 60.050 58.100 -0.298 0.000 1.148 684 Y CB -0.414 37.847 38.460 -0.331 0.000 0.972 684 Y HN 0.115 nan 8.280 nan 0.000 0.504 685 L N -1.229 119.905 121.223 -0.149 0.000 2.156 685 L HA -0.212 4.128 4.340 0.000 0.000 0.208 685 L C 2.332 179.079 176.870 -0.205 0.000 1.095 685 L CA 1.139 55.875 54.840 -0.173 0.000 0.770 685 L CB -0.471 41.445 42.059 -0.238 0.000 0.914 685 L HN 0.294 nan 8.230 nan 0.000 0.439 686 M N -0.546 118.881 119.600 -0.288 0.000 2.175 686 M HA -0.192 4.289 4.480 0.000 0.000 0.264 686 M C 2.231 178.285 176.300 -0.410 0.000 1.063 686 M CA 1.581 56.710 55.300 -0.284 0.000 1.119 686 M CB -0.251 32.196 32.600 -0.256 0.000 1.377 686 M HN 0.203 nan 8.290 nan 0.000 0.415 687 E N 0.607 120.374 120.200 -0.722 0.000 2.047 687 E HA -0.176 4.175 4.350 0.000 0.000 0.191 687 E C 2.000 178.230 176.600 -0.618 0.000 0.987 687 E CA 1.287 57.211 56.400 -0.793 0.000 0.799 687 E CB 0.013 29.188 29.700 -0.876 0.000 0.752 687 E HN 0.458 nan 8.360 nan 0.000 0.449 688 A N 0.299 122.868 122.820 -0.419 0.000 1.933 688 A HA -0.206 4.114 4.320 0.000 0.000 0.218 688 A C 2.031 179.495 177.584 -0.200 0.000 1.175 688 A CA 1.466 53.347 52.037 -0.260 0.000 0.628 688 A CB -0.901 18.000 19.000 -0.164 0.000 0.814 688 A HN 0.561 nan 8.150 nan 0.000 0.444 689 Y N 0.624 120.757 120.300 -0.279 0.000 2.114 689 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 689 Y C 2.414 178.183 175.900 -0.218 0.000 1.143 689 Y CA 2.426 60.396 58.100 -0.217 0.000 1.135 689 Y CB -0.317 38.034 38.460 -0.182 0.000 0.980 689 Y HN 0.319 nan 8.280 nan 0.000 0.499 690 K N -0.578 119.700 120.400 -0.202 0.000 2.074 690 K HA -0.246 4.074 4.320 0.000 0.000 0.209 690 K C 1.076 177.544 176.600 -0.220 0.000 1.048 690 K CA 2.145 58.281 56.287 -0.251 0.000 0.926 690 K CB -0.499 31.810 32.500 -0.318 0.000 0.713 690 K HN 0.604 nan 8.250 nan 0.000 0.444 691 H N 0.466 119.412 119.070 -0.206 0.000 2.555 691 H HA 0.179 4.735 4.556 0.000 0.000 0.283 691 H C -0.057 175.107 175.328 -0.273 0.000 1.037 691 H CA 0.119 56.042 56.048 -0.208 0.000 1.169 691 H CB 0.015 29.652 29.762 -0.209 0.000 1.375 691 H HN 0.139 nan 8.280 nan 0.000 0.582 692 L N -0.161 120.912 121.223 -0.251 0.000 4.089 692 L HA -0.286 4.054 4.340 0.000 0.000 0.408 692 L C -0.341 176.267 176.870 -0.437 0.000 1.184 692 L CA 0.629 55.232 54.840 -0.395 0.000 0.947 692 L CB -1.749 40.064 42.059 -0.410 0.000 2.066 692 L HN 0.324 nan 8.230 nan 0.000 0.851 693 K N 0.831 121.039 120.400 -0.321 0.000 2.174 693 K HA 0.463 4.783 4.320 0.000 0.000 0.275 693 K C -2.138 174.325 176.600 -0.227 0.000 1.015 693 K CA -1.791 54.329 56.287 -0.277 0.000 0.933 693 K CB 0.693 33.080 32.500 -0.187 0.000 1.025 693 K HN -0.205 nan 8.250 nan 0.000 0.463 694 P HA 0.033 nan 4.420 nan 0.000 0.264 694 P C -0.766 176.463 177.300 -0.118 0.000 1.193 694 P CA 0.426 63.423 63.100 -0.172 0.000 0.763 694 P CB 0.398 31.997 31.700 -0.168 0.000 0.810 695 I N 2.066 122.579 120.570 -0.094 0.000 2.509 695 I HA 0.632 4.802 4.170 0.000 0.000 0.293 695 I C -0.235 175.830 176.117 -0.087 0.000 1.020 695 I CA -0.904 60.359 61.300 -0.061 0.000 1.088 695 I CB 2.207 40.198 38.000 -0.015 0.000 1.267 695 I HN 0.262 nan 8.210 nan 0.000 0.430 696 A N 7.583 130.359 122.820 -0.074 0.000 2.335 696 A HA 0.832 5.152 4.320 0.000 0.000 0.304 696 A C -1.111 176.564 177.584 0.153 0.000 1.118 696 A CA -0.426 51.540 52.037 -0.118 0.000 0.757 696 A CB 0.957 19.711 19.000 -0.410 0.000 1.188 696 A HN 0.662 nan 8.150 nan 0.000 0.460 697 L N 2.421 123.794 121.223 0.250 0.000 2.319 697 L HA 0.710 5.050 4.340 0.000 0.000 0.281 697 L C 0.316 177.386 176.870 0.333 0.000 1.005 697 L CA -0.494 54.509 54.840 0.271 0.000 0.828 697 L CB 1.863 44.023 42.059 0.169 0.000 1.227 697 L HN 0.784 nan 8.230 nan 0.000 0.415 698 A N 2.389 125.306 122.820 0.162 0.000 2.317 698 A HA 0.858 5.178 4.320 0.000 0.000 0.327 698 A C 0.646 178.207 177.584 -0.038 0.000 1.178 698 A CA 0.298 52.290 52.037 -0.076 0.000 0.817 698 A CB 1.241 19.982 19.000 -0.432 0.000 1.189 698 A HN 0.962 nan 8.150 nan 0.000 0.489 699 G N 1.828 110.597 108.800 -0.051 0.000 2.591 699 G HA2 -0.328 3.632 3.960 0.000 0.000 0.298 699 G HA3 -0.328 3.632 3.960 0.000 0.000 0.298 699 G C 0.396 175.293 174.900 -0.005 0.000 1.195 699 G CA 0.826 45.906 45.100 -0.033 0.000 0.989 699 G HN 0.720 nan 8.290 nan 0.000 0.551 700 D N 1.650 122.045 120.400 -0.009 0.000 2.378 700 D HA 0.324 4.964 4.640 0.000 0.000 0.227 700 D C 2.411 178.712 176.300 0.002 0.000 1.012 700 D CA 1.338 55.329 54.000 -0.015 0.000 0.905 700 D CB -0.506 40.278 40.800 -0.028 0.000 0.895 700 D HN 0.760 nan 8.370 nan 0.000 0.532 701 A N 0.640 123.497 122.820 0.062 0.000 2.067 701 A HA -0.151 4.170 4.320 0.000 0.000 0.219 701 A C 2.019 179.709 177.584 0.176 0.000 1.158 701 A CA 0.651 52.794 52.037 0.177 0.000 0.661 701 A CB -0.326 18.786 19.000 0.187 0.000 0.801 701 A HN 0.122 nan 8.150 nan 0.000 0.452 702 R N -0.542 120.011 120.500 0.088 0.000 2.293 702 R HA -0.100 4.241 4.340 0.000 0.000 0.219 702 R C 1.530 177.839 176.300 0.015 0.000 1.091 702 R CA 1.173 57.312 56.100 0.066 0.000 1.004 702 R CB -0.156 30.171 30.300 0.045 0.000 0.865 702 R HN 0.334 nan 8.270 nan 0.000 0.469 703 K N -0.081 120.283 120.400 -0.061 0.000 2.209 703 K HA -0.078 4.242 4.320 0.000 0.000 0.204 703 K C 1.117 177.608 176.600 -0.183 0.000 1.048 703 K CA 1.154 57.344 56.287 -0.161 0.000 0.940 703 K CB -0.098 32.243 32.500 -0.266 0.000 0.729 703 K HN 0.134 nan 8.250 nan 0.000 0.451 704 F N 0.923 120.852 119.950 -0.035 0.000 2.641 704 F HA -0.089 4.438 4.527 0.000 0.000 0.298 704 F C 1.623 177.378 175.800 -0.074 0.000 1.146 704 F CA 0.656 58.624 58.000 -0.053 0.000 1.464 704 F CB -0.004 38.963 39.000 -0.054 0.000 1.101 704 F HN -0.048 nan 8.300 nan 0.000 0.585 705 K N 0.272 120.718 120.400 0.077 0.000 2.152 705 K HA -0.183 4.137 4.320 0.000 0.000 0.206 705 K C 2.321 178.897 176.600 -0.040 0.000 1.048 705 K CA 1.101 57.386 56.287 -0.002 0.000 0.933 705 K CB -0.314 32.182 32.500 -0.007 0.000 0.721 705 K HN 0.262 nan 8.250 nan 0.000 0.447 706 A N 0.718 123.521 122.820 -0.028 0.000 1.930 706 A HA -0.138 4.182 4.320 0.000 0.000 0.217 706 A C 2.128 179.688 177.584 -0.039 0.000 1.175 706 A CA 1.884 53.897 52.037 -0.040 0.000 0.627 706 A CB -0.811 18.165 19.000 -0.041 0.000 0.815 706 A HN 0.242 nan 8.150 nan 0.000 0.443 707 T N 0.681 115.232 114.554 -0.005 0.000 2.881 707 T HA -0.057 4.294 4.350 0.000 0.000 0.270 707 T C 1.366 176.010 174.700 -0.092 0.000 1.068 707 T CA 1.481 63.578 62.100 -0.005 0.000 1.131 707 T CB -0.461 68.455 68.868 0.081 0.000 0.871 707 T HN 0.717 nan 8.240 nan 0.000 0.479 708 I N -2.673 117.789 120.570 -0.180 0.000 3.877 708 I HA 0.426 4.596 4.170 0.000 0.000 0.332 708 I C -0.391 175.477 176.117 -0.416 0.000 1.525 708 I CA -0.645 60.407 61.300 -0.413 0.000 1.146 708 I CB 0.024 37.620 38.000 -0.673 0.000 1.137 708 I HN -0.224 nan 8.210 nan 0.000 0.424 709 K N 2.555 122.831 120.400 -0.206 0.000 3.730 709 K HA -0.116 4.204 4.320 0.000 0.000 0.276 709 K C -0.490 176.037 176.600 -0.122 0.000 0.904 709 K CA 0.730 56.938 56.287 -0.131 0.000 0.741 709 K CB -1.378 31.070 32.500 -0.088 0.000 1.542 709 K HN 0.605 nan 8.250 nan 0.000 0.446 710 I N 0.947 121.448 120.570 -0.114 0.000 2.336 710 I HA 0.222 4.392 4.170 0.000 0.000 0.292 710 I C 1.092 177.191 176.117 -0.030 0.000 0.991 710 I CA -0.602 60.659 61.300 -0.065 0.000 1.227 710 I CB 1.499 39.458 38.000 -0.069 0.000 1.366 710 I HN 0.331 nan 8.210 nan 0.000 0.466 711 A N 4.631 127.445 122.820 -0.011 0.000 2.507 711 A HA -0.002 4.318 4.320 0.000 0.000 0.235 711 A C 1.074 178.656 177.584 -0.004 0.000 1.070 711 A CA -0.110 51.924 52.037 -0.005 0.000 0.768 711 A CB 0.103 19.105 19.000 0.003 0.000 1.011 711 A HN 0.815 nan 8.150 nan 0.000 0.502 712 D N 0.377 120.775 120.400 -0.004 0.000 2.158 712 D HA -0.209 4.432 4.640 0.000 0.000 0.197 712 D C 1.989 178.291 176.300 0.003 0.000 0.995 712 D CA 2.180 56.179 54.000 -0.002 0.000 0.846 712 D CB -0.112 40.687 40.800 -0.002 0.000 0.941 712 D HN 0.861 nan 8.370 nan 0.000 0.456 713 Q N 0.052 119.855 119.800 0.004 0.000 2.482 713 Q HA 0.253 4.593 4.340 0.000 0.000 0.209 713 Q C 0.906 176.911 176.000 0.009 0.000 0.961 713 Q CA 0.601 56.408 55.803 0.007 0.000 0.945 713 Q CB 0.190 28.931 28.738 0.006 0.000 1.012 713 Q HN 0.096 nan 8.270 nan 0.000 0.515 714 G N 0.607 109.412 108.800 0.009 0.000 2.757 714 G HA2 -0.242 3.719 3.960 0.000 0.000 0.638 714 G HA3 -0.242 3.719 3.960 0.000 0.000 0.638 714 G C -1.359 173.548 174.900 0.012 0.000 1.344 714 G CA -0.212 44.895 45.100 0.011 0.000 0.855 714 G HN 0.418 nan 8.290 nan 0.000 0.537 715 E N -0.501 119.707 120.200 0.013 0.000 2.352 715 E HA 0.395 4.746 4.350 0.000 0.000 0.280 715 E C -0.533 176.067 176.600 0.001 0.000 0.930 715 E CA -0.816 55.594 56.400 0.017 0.000 0.765 715 E CB 1.137 30.864 29.700 0.045 0.000 1.219 715 E HN 0.454 nan 8.360 nan 0.000 0.434 716 E N 1.354 121.547 120.200 -0.012 0.000 2.480 716 E HA 0.176 4.526 4.350 0.000 0.000 0.258 716 E C 0.682 177.246 176.600 -0.059 0.000 0.984 716 E CA 1.556 57.934 56.400 -0.037 0.000 0.930 716 E CB 1.120 30.797 29.700 -0.039 0.000 0.936 716 E HN 0.880 nan 8.360 nan 0.000 0.466 717 G N 3.054 111.805 108.800 -0.082 0.000 2.253 717 G HA2 -0.198 3.762 3.960 0.000 0.000 0.209 717 G HA3 -0.198 3.762 3.960 0.000 0.000 0.209 717 G C 0.149 175.001 174.900 -0.081 0.000 0.997 717 G CA -0.395 44.638 45.100 -0.112 0.000 0.640 717 G HN 0.419 nan 8.290 nan 0.000 0.496 718 I N 2.457 123.002 120.570 -0.042 0.000 2.354 718 I HA 0.467 4.637 4.170 0.000 0.000 0.286 718 I C 0.444 176.524 176.117 -0.061 0.000 1.007 718 I CA -1.022 60.261 61.300 -0.028 0.000 1.167 718 I CB 1.237 39.250 38.000 0.021 0.000 1.320 718 I HN -0.087 nan 8.210 nan 0.000 0.458 719 V N 7.568 127.407 119.914 -0.125 0.000 2.461 719 V HA 0.324 4.444 4.120 0.000 0.000 0.275 719 V C 0.316 176.374 176.094 -0.059 0.000 1.047 719 V CA -0.428 61.753 62.300 -0.199 0.000 0.955 719 V CB 0.960 32.488 31.823 -0.491 0.000 0.988 719 V HN 0.842 nan 8.190 nan 0.000 0.471 720 E N 4.272 124.513 120.200 0.067 0.000 2.356 720 E HA 0.913 5.263 4.350 0.000 0.000 0.275 720 E C -0.900 175.850 176.600 0.251 0.000 0.904 720 E CA -1.054 55.468 56.400 0.202 0.000 0.757 720 E CB 2.722 32.487 29.700 0.108 0.000 1.232 720 E HN 0.807 nan 8.360 nan 0.000 0.442 721 A N 1.632 124.600 122.820 0.245 0.000 2.544 721 A HA 0.309 4.629 4.320 0.000 0.000 0.291 721 A C -0.663 176.938 177.584 0.028 0.000 1.055 721 A CA -0.626 51.498 52.037 0.145 0.000 0.651 721 A CB 1.040 20.182 19.000 0.237 0.000 1.296 721 A HN 0.588 nan 8.150 nan 0.000 0.431 722 D N 0.493 120.891 120.400 -0.004 0.000 2.144 722 D HA 0.050 4.690 4.640 0.000 0.000 0.199 722 D C 1.148 177.392 176.300 -0.094 0.000 0.984 722 D CA 2.400 56.379 54.000 -0.036 0.000 0.834 722 D CB 0.095 40.880 40.800 -0.024 0.000 0.955 722 D HN 0.862 nan 8.370 nan 0.000 0.465 723 S N -1.808 113.801 115.700 -0.152 0.000 2.671 723 S HA 0.655 5.126 4.470 0.000 0.000 0.277 723 S C -0.482 173.827 174.600 -0.486 0.000 1.165 723 S CA -0.551 57.498 58.200 -0.252 0.000 0.822 723 S CB 1.879 64.985 63.200 -0.157 0.000 1.150 723 S HN -0.040 nan 8.310 nan 0.000 0.479 724 A N 1.384 123.859 122.820 -0.576 0.000 3.019 724 A HA 0.404 4.724 4.320 0.000 0.000 0.262 724 A C 0.399 177.826 177.584 -0.261 0.000 1.509 724 A CA -0.121 51.435 52.037 -0.801 0.000 1.159 724 A CB -2.022 16.624 19.000 -0.591 0.000 1.042 724 A HN 0.897 nan 8.150 nan 0.000 0.641 725 D N -0.769 119.552 120.400 -0.132 0.000 2.223 725 D HA 0.243 4.883 4.640 0.000 0.000 0.250 725 D C 1.445 177.793 176.300 0.080 0.000 1.287 725 D CA 0.314 54.309 54.000 -0.008 0.000 0.977 725 D CB 0.089 40.891 40.800 0.004 0.000 1.177 725 D HN 0.001 nan 8.370 nan 0.000 0.536 726 G N -1.568 107.271 108.800 0.064 0.000 2.421 726 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 726 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 726 G C 1.573 176.524 174.900 0.086 0.000 1.143 726 G CA 0.775 45.918 45.100 0.070 0.000 0.784 726 G HN 0.474 nan 8.290 nan 0.000 0.541 727 S N -0.137 115.617 115.700 0.091 0.000 2.368 727 S HA -0.119 4.351 4.470 0.000 0.000 0.225 727 S C 2.065 176.740 174.600 0.125 0.000 1.030 727 S CA 1.368 59.620 58.200 0.086 0.000 0.999 727 S CB -0.425 62.820 63.200 0.076 0.000 0.844 727 S HN 0.365 nan 8.310 nan 0.000 0.459 728 F N 1.910 121.858 119.950 -0.004 0.000 2.095 728 F HA -0.084 4.444 4.527 0.000 0.000 0.298 728 F C 2.159 177.954 175.800 -0.007 0.000 1.104 728 F CA 1.813 59.810 58.000 -0.005 0.000 1.232 728 F CB -0.299 38.699 39.000 -0.003 0.000 0.987 728 F HN 0.200 nan 8.300 nan 0.000 0.475 729 M N 0.256 119.997 119.600 0.235 0.000 2.175 729 M HA -0.175 4.305 4.480 0.000 0.000 0.264 729 M C 1.810 178.110 176.300 0.000 0.000 1.063 729 M CA 1.384 56.742 55.300 0.096 0.000 1.119 729 M CB -1.388 31.297 32.600 0.140 0.000 1.377 729 M HN 0.136 nan 8.290 nan 0.000 0.415 730 D N 0.432 120.840 120.400 0.015 0.000 2.123 730 D HA -0.150 4.490 4.640 0.000 0.000 0.196 730 D C 1.996 178.272 176.300 -0.040 0.000 0.992 730 D CA 1.124 55.120 54.000 -0.007 0.000 0.833 730 D CB -0.161 40.642 40.800 0.006 0.000 0.954 730 D HN 0.479 nan 8.370 nan 0.000 0.455 731 E N 0.263 120.425 120.200 -0.064 0.000 2.051 731 E HA -0.135 4.216 4.350 0.000 0.000 0.192 731 E C 2.127 178.642 176.600 -0.141 0.000 0.991 731 E CA 0.262 56.602 56.400 -0.100 0.000 0.799 731 E CB -0.096 29.523 29.700 -0.134 0.000 0.748 731 E HN 0.156 nan 8.360 nan 0.000 0.449 732 L N 1.089 122.190 121.223 -0.204 0.000 2.046 732 L HA -0.165 4.175 4.340 0.000 0.000 0.208 732 L C 2.103 178.901 176.870 -0.120 0.000 1.077 732 L CA 1.555 56.271 54.840 -0.206 0.000 0.747 732 L CB -0.447 41.443 42.059 -0.282 0.000 0.896 732 L HN 0.219 nan 8.230 nan 0.000 0.432 733 L N -0.713 120.462 121.223 -0.081 0.000 2.217 733 L HA -0.148 4.192 4.340 0.000 0.000 0.211 733 L C 2.403 179.248 176.870 -0.042 0.000 1.107 733 L CA 1.086 55.897 54.840 -0.049 0.000 0.783 733 L CB -0.651 41.391 42.059 -0.029 0.000 0.919 733 L HN 0.219 nan 8.230 nan 0.000 0.442 734 T N 0.202 114.727 114.554 -0.049 0.000 2.737 734 T HA -0.119 4.231 4.350 0.000 0.000 0.265 734 T C 1.971 176.641 174.700 -0.051 0.000 1.038 734 T CA 1.133 63.210 62.100 -0.038 0.000 1.144 734 T CB -0.193 68.652 68.868 -0.038 0.000 0.866 734 T HN 0.176 nan 8.240 nan 0.000 0.434 735 L N 0.407 121.580 121.223 -0.083 0.000 2.012 735 L HA -0.110 4.231 4.340 0.000 0.000 0.210 735 L C 2.721 179.527 176.870 -0.106 0.000 1.073 735 L CA 1.446 56.218 54.840 -0.114 0.000 0.748 735 L CB -0.587 41.384 42.059 -0.148 0.000 0.891 735 L HN 0.303 nan 8.230 nan 0.000 0.431 736 M N -0.739 118.813 119.600 -0.080 0.000 2.213 736 M HA -0.162 4.319 4.480 0.000 0.000 0.263 736 M C 2.372 178.675 176.300 0.006 0.000 1.062 736 M CA 1.656 56.928 55.300 -0.045 0.000 1.105 736 M CB -0.485 32.097 32.600 -0.031 0.000 1.385 736 M HN 0.312 nan 8.290 nan 0.000 0.417 737 A N 0.140 122.964 122.820 0.007 0.000 2.066 737 A HA 0.145 4.466 4.320 0.000 0.000 0.218 737 A C 2.141 179.770 177.584 0.075 0.000 1.157 737 A CA 1.469 53.532 52.037 0.042 0.000 0.670 737 A CB -0.546 18.472 19.000 0.030 0.000 0.804 737 A HN 0.481 nan 8.150 nan 0.000 0.453 738 A N -2.453 120.392 122.820 0.041 0.000 2.275 738 A HA 0.357 4.677 4.320 0.000 0.000 0.212 738 A C 0.935 178.552 177.584 0.055 0.000 1.201 738 A CA 1.221 53.294 52.037 0.060 0.000 0.843 738 A CB -0.448 18.541 19.000 -0.019 0.000 0.873 738 A HN 0.929 nan 8.150 nan 0.000 0.492 739 H N -1.214 117.805 119.070 -0.086 0.000 4.856 739 H HA -0.189 4.367 4.556 0.000 0.000 0.059 739 H C 0.054 175.177 175.328 -0.341 0.000 0.596 739 H CA 2.376 58.358 56.048 -0.110 0.000 0.946 739 H CB -0.614 29.189 29.762 0.069 0.000 0.453 739 H HN 0.456 nan 8.280 nan 0.000 0.801 740 R N -0.190 119.779 120.500 -0.884 0.000 2.836 740 R HA 0.609 4.949 4.340 0.000 0.000 0.269 740 R C -0.665 174.804 176.300 -1.385 0.000 1.010 740 R CA -0.318 55.013 56.100 -1.283 0.000 0.930 740 R CB 1.850 31.083 30.300 -1.777 0.000 1.218 740 R HN 0.093 nan 8.270 nan 0.000 0.473 741 V N 2.253 121.579 119.914 -0.980 0.000 2.222 741 V HA 0.104 4.225 4.120 0.000 0.000 0.253 741 V C 0.684 176.394 176.094 -0.640 0.000 1.210 741 V CA -0.451 61.433 62.300 -0.693 0.000 1.079 741 V CB -0.367 31.195 31.823 -0.434 0.000 1.265 741 V HN 0.733 nan 8.190 nan 0.000 0.494 742 W N 1.672 122.701 121.300 -0.452 0.000 2.421 742 W HA -0.152 4.509 4.660 0.000 0.000 0.270 742 W C 2.470 178.776 176.519 -0.354 0.000 1.233 742 W CA 0.741 57.731 57.345 -0.591 0.000 1.226 742 W CB -0.404 28.327 29.460 -1.215 0.000 1.121 742 W HN 0.657 nan 8.180 nan 0.000 0.579 743 S N 0.704 116.360 115.700 -0.073 0.000 2.507 743 S HA -0.121 4.349 4.470 0.000 0.000 0.235 743 S C 1.718 176.283 174.600 -0.060 0.000 0.988 743 S CA 0.752 58.928 58.200 -0.040 0.000 0.944 743 S CB -0.363 62.815 63.200 -0.037 0.000 0.762 743 S HN 0.415 nan 8.310 nan 0.000 0.526 744 R N 0.644 121.067 120.500 -0.128 0.000 2.299 744 R HA 0.253 4.593 4.340 0.000 0.000 0.197 744 R C 1.700 177.931 176.300 -0.116 0.000 0.971 744 R CA 0.273 56.277 56.100 -0.161 0.000 1.030 744 R CB -0.370 29.730 30.300 -0.333 0.000 0.932 744 R HN 0.465 nan 8.270 nan 0.000 0.477 745 I N 1.859 122.402 120.570 -0.046 0.000 2.113 745 I HA -0.253 3.917 4.170 0.000 0.000 0.242 745 I C -0.815 175.326 176.117 0.040 0.000 1.064 745 I CA 1.542 62.859 61.300 0.027 0.000 1.320 745 I CB -0.905 37.159 38.000 0.106 0.000 1.028 745 I HN 0.164 nan 8.210 nan 0.000 0.406 746 P HA -0.169 nan 4.420 nan 0.000 0.219 746 P C 1.110 178.440 177.300 0.049 0.000 1.146 746 P CA 1.523 64.653 63.100 0.050 0.000 0.808 746 P CB -0.054 31.672 31.700 0.045 0.000 0.779 747 K N -0.469 119.956 120.400 0.042 0.000 2.305 747 K HA 0.080 4.400 4.320 0.000 0.000 0.199 747 K C 1.981 178.646 176.600 0.108 0.000 1.047 747 K CA 0.635 56.970 56.287 0.079 0.000 0.976 747 K CB -0.399 32.170 32.500 0.116 0.000 0.765 747 K HN 0.280 nan 8.250 nan 0.000 0.474 748 I N -1.550 119.053 120.570 0.055 0.000 2.830 748 I HA -0.088 4.082 4.170 0.000 0.000 0.263 748 I C 1.413 177.577 176.117 0.080 0.000 1.230 748 I CA 1.163 62.504 61.300 0.069 0.000 1.480 748 I CB -0.199 37.792 38.000 -0.015 0.000 1.095 748 I HN -0.063 nan 8.210 nan 0.000 0.455 749 D N 2.269 122.714 120.400 0.075 0.000 2.149 749 D HA -0.195 4.445 4.640 0.000 0.000 0.194 749 D C 1.648 177.989 176.300 0.068 0.000 1.001 749 D CA 1.437 55.481 54.000 0.073 0.000 0.849 749 D CB 0.163 41.004 40.800 0.069 0.000 0.939 749 D HN 0.265 nan 8.370 nan 0.000 0.449 750 K N -0.172 120.269 120.400 0.069 0.000 2.410 750 K HA 0.117 4.437 4.320 0.000 0.000 0.200 750 K C 0.073 176.706 176.600 0.055 0.000 1.023 750 K CA -0.243 56.079 56.287 0.057 0.000 1.149 750 K CB 0.961 33.491 32.500 0.051 0.000 0.859 750 K HN 0.254 nan 8.250 nan 0.000 0.514 751 I N 3.989 124.599 120.570 0.068 0.000 2.339 751 I HA 0.205 4.375 4.170 0.000 0.000 0.290 751 I C -2.484 173.666 176.117 0.054 0.000 0.994 751 I CA -2.606 58.729 61.300 0.058 0.000 1.191 751 I CB 1.679 39.736 38.000 0.094 0.000 1.343 751 I HN -0.120 nan 8.210 nan 0.000 0.458 752 P HA 0.419 nan 4.420 nan 0.000 0.256 752 P C -0.884 176.475 177.300 0.098 0.000 1.689 752 P CA -0.083 63.055 63.100 0.063 0.000 1.124 752 P CB 0.489 32.220 31.700 0.050 0.000 1.766 753 A N 0.000 122.883 122.820 0.106 0.000 2.254 753 A HA 0.000 4.320 4.320 0.000 0.000 0.244 753 A CA 0.000 52.150 52.037 0.188 0.000 0.836 753 A CB 0.000 19.012 19.000 0.019 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486