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 1qf7_1_A 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 DTVRDIRGFA 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 EQAAFQPGHI 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 0.000 176.284 176.300 -0.027 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N -0.302 115.377 115.700 -0.036 0.000 3.472 28 S HA 0.506 5.017 4.470 0.068 0.000 0.247 28 S C -0.510 174.055 174.600 -0.058 0.000 1.084 28 S CA 0.144 58.319 58.200 -0.041 0.000 0.795 28 S CB 0.699 63.876 63.200 -0.039 0.000 0.892 28 S HN 0.724 nan 8.310 nan 0.000 0.513 29 L N 0.956 122.134 121.223 -0.075 0.000 0.626 29 L HA -0.049 4.332 4.340 0.068 0.000 0.357 29 L C -0.088 176.700 176.870 -0.135 0.000 1.004 29 L CA -0.015 54.756 54.840 -0.114 0.000 1.223 29 L CB -1.735 40.270 42.059 -0.090 0.000 0.120 29 L HN 0.368 nan 8.230 nan 0.000 0.114 30 A N 3.405 126.075 122.820 -0.250 0.000 2.540 30 A HA 0.590 4.951 4.320 0.068 0.000 0.239 30 A C -1.477 175.965 177.584 -0.237 0.000 1.061 30 A CA -0.336 51.413 52.037 -0.479 0.000 0.758 30 A CB -0.485 18.023 19.000 -0.819 0.000 0.991 30 A HN 0.735 nan 8.150 nan 0.000 0.502 31 P HA 0.011 nan 4.420 nan 0.000 0.267 31 P C 0.348 177.642 177.300 -0.011 0.000 1.200 31 P CA 0.036 63.115 63.100 -0.034 0.000 0.772 31 P CB 0.685 32.401 31.700 0.026 0.000 0.855 32 E N 1.980 122.179 120.200 -0.001 0.000 2.209 32 E HA -0.205 4.186 4.350 0.068 0.000 0.196 32 E C 1.085 177.708 176.600 0.039 0.000 0.993 32 E CA 1.593 58.001 56.400 0.013 0.000 0.819 32 E CB -0.649 29.055 29.700 0.006 0.000 0.745 32 E HN 0.521 nan 8.360 nan 0.000 0.477 33 D N -1.478 118.951 120.400 0.047 0.000 2.363 33 D HA 0.036 4.717 4.640 0.068 0.000 0.226 33 D C 1.223 177.574 176.300 0.084 0.000 1.020 33 D CA 0.837 54.869 54.000 0.053 0.000 0.892 33 D CB -0.472 40.352 40.800 0.039 0.000 0.900 33 D HN 0.201 nan 8.370 nan 0.000 0.531 34 G N 0.398 109.293 108.800 0.159 0.000 2.153 34 G HA2 -0.346 3.655 3.960 0.068 0.000 0.252 34 G HA3 -0.346 3.655 3.960 0.068 0.000 0.252 34 G C 0.938 175.909 174.900 0.118 0.000 0.994 34 G CA 0.837 46.061 45.100 0.207 0.000 0.698 34 G HN 0.740 nan 8.290 nan 0.000 0.521 35 S N -0.334 115.458 115.700 0.154 0.000 2.650 35 S HA 0.125 4.636 4.470 0.068 0.000 0.219 35 S C 1.616 176.267 174.600 0.085 0.000 0.960 35 S CA 0.968 59.211 58.200 0.071 0.000 0.925 35 S CB -0.538 62.696 63.200 0.058 0.000 0.775 35 S HN 1.043 nan 8.310 nan 0.000 0.525 36 H N 0.045 119.123 119.070 0.012 0.000 2.535 36 H HA 0.356 4.953 4.556 0.068 0.000 0.273 36 H C 1.051 176.391 175.328 0.020 0.000 0.983 36 H CA 0.007 56.064 56.048 0.014 0.000 1.238 36 H CB -0.021 29.749 29.762 0.012 0.000 1.412 36 H HN 0.277 nan 8.280 nan 0.000 0.562 37 R N 1.957 122.137 120.500 -0.533 0.000 2.338 37 R HA 0.326 4.707 4.340 0.068 0.000 0.317 37 R C -2.690 173.516 176.300 -0.157 0.000 0.968 37 R CA -2.392 53.488 56.100 -0.367 0.000 0.849 37 R CB 0.904 30.886 30.300 -0.530 0.000 1.128 37 R HN 0.154 nan 8.270 nan 0.000 0.448 38 P HA 0.090 nan 4.420 nan 0.000 0.271 38 P C -1.108 176.181 177.300 -0.018 0.000 1.218 38 P CA -0.279 62.809 63.100 -0.019 0.000 0.780 38 P CB 1.013 32.726 31.700 0.023 0.000 0.901 39 A N 2.425 125.242 122.820 -0.005 0.000 2.425 39 A HA 0.450 4.811 4.320 0.068 0.000 0.249 39 A C 0.817 178.412 177.584 0.018 0.000 1.084 39 A CA -0.068 51.970 52.037 0.002 0.000 0.781 39 A CB -0.235 18.768 19.000 0.005 0.000 1.019 39 A HN 0.559 nan 8.150 nan 0.000 0.490 40 A N 3.075 125.906 122.820 0.018 0.000 3.074 40 A HA 0.498 4.859 4.320 0.068 0.000 0.251 40 A C 0.143 177.747 177.584 0.033 0.000 1.695 40 A CA -0.124 51.930 52.037 0.029 0.000 1.343 40 A CB -0.600 18.414 19.000 0.022 0.000 1.078 40 A HN 0.740 nan 8.150 nan 0.000 0.644 41 E N -0.390 119.833 120.200 0.038 0.000 2.423 41 E HA 0.346 4.737 4.350 0.068 0.000 0.280 41 E C -3.232 173.395 176.600 0.046 0.000 1.030 41 E CA -2.252 54.173 56.400 0.042 0.000 0.812 41 E CB 0.120 29.839 29.700 0.032 0.000 1.313 41 E HN 0.008 nan 8.360 nan 0.000 0.456 42 P HA 0.112 nan 4.420 nan 0.000 0.267 42 P C -0.591 176.724 177.300 0.025 0.000 1.209 42 P CA 0.343 63.467 63.100 0.040 0.000 0.763 42 P CB 0.276 31.992 31.700 0.026 0.000 0.816 43 T N 1.122 115.685 114.554 0.016 0.000 2.896 43 T HA 0.663 5.054 4.350 0.068 0.000 0.297 43 T C -2.945 171.724 174.700 -0.051 0.000 1.108 43 T CA -2.680 59.421 62.100 0.001 0.000 1.004 43 T CB 1.742 70.616 68.868 0.009 0.000 1.159 43 T HN 0.066 nan 8.240 nan 0.000 0.499 44 P HA 0.378 nan 4.420 nan 0.000 0.274 44 P C -2.822 174.350 177.300 -0.213 0.000 1.237 44 P CA -1.748 61.194 63.100 -0.265 0.000 0.793 44 P CB -0.803 30.826 31.700 -0.117 0.000 0.977 45 P HA 0.048 nan 4.420 nan 0.000 0.264 45 P C 1.106 178.376 177.300 -0.049 0.000 1.193 45 P CA 1.319 64.341 63.100 -0.130 0.000 0.763 45 P CB -0.272 31.360 31.700 -0.113 0.000 0.810 46 G N 2.779 111.574 108.800 -0.009 0.000 2.205 46 G HA2 -0.351 3.650 3.960 0.068 0.000 0.261 46 G HA3 -0.351 3.650 3.960 0.068 0.000 0.261 46 G C 1.152 176.056 174.900 0.007 0.000 0.980 46 G CA 0.452 45.557 45.100 0.009 0.000 0.632 46 G HN 0.674 nan 8.290 nan 0.000 0.533 47 A N -0.813 122.006 122.820 -0.002 0.000 1.929 47 A HA 0.396 4.757 4.320 0.068 0.000 0.216 47 A C 1.372 178.962 177.584 0.010 0.000 1.176 47 A CA 2.072 54.112 52.037 0.004 0.000 0.628 47 A CB -0.032 18.969 19.000 0.000 0.000 0.816 47 A HN 0.625 nan 8.150 nan 0.000 0.444 48 Q N -1.116 118.693 119.800 0.015 0.000 2.495 48 Q HA 0.441 4.822 4.340 0.068 0.000 0.287 48 Q C -2.970 173.045 176.000 0.025 0.000 1.078 48 Q CA -2.280 53.534 55.803 0.019 0.000 0.793 48 Q CB 0.626 29.376 28.738 0.021 0.000 1.459 48 Q HN 0.044 nan 8.270 nan 0.000 0.422 49 P HA 0.011 nan 4.420 nan 0.000 0.268 49 P C -0.259 177.071 177.300 0.050 0.000 1.204 49 P CA 0.120 63.234 63.100 0.024 0.000 0.768 49 P CB 0.219 31.930 31.700 0.019 0.000 0.842 50 T N -0.144 114.441 114.554 0.052 0.000 2.802 50 T HA 0.550 4.941 4.350 0.068 0.000 0.305 50 T C 0.059 174.845 174.700 0.143 0.000 1.053 50 T CA -0.426 61.753 62.100 0.131 0.000 1.058 50 T CB 0.537 69.430 68.868 0.042 0.000 0.988 50 T HN 0.579 nan 8.240 nan 0.000 0.539 51 A N 1.754 124.754 122.820 0.299 0.000 2.609 51 A HA 0.769 5.130 4.320 0.068 0.000 0.291 51 A C -3.051 174.786 177.584 0.423 0.000 1.096 51 A CA -2.020 50.171 52.037 0.257 0.000 0.684 51 A CB 0.549 19.651 19.000 0.170 0.000 1.282 51 A HN 0.659 nan 8.150 nan 0.000 0.412 52 P HA 0.097 nan 4.420 nan 0.000 0.266 52 P C 1.187 178.634 177.300 0.244 0.000 1.186 52 P CA 1.015 64.326 63.100 0.352 0.000 0.767 52 P CB 0.566 32.394 31.700 0.213 0.000 0.820 53 G N 1.467 110.364 108.800 0.161 0.000 2.422 53 G HA2 -0.238 3.763 3.960 0.068 0.000 0.218 53 G HA3 -0.238 3.763 3.960 0.068 0.000 0.218 53 G C 1.490 176.406 174.900 0.027 0.000 1.146 53 G CA 0.971 46.089 45.100 0.028 0.000 0.769 53 G HN 0.591 nan 8.290 nan 0.000 0.547 54 S N -0.300 115.422 115.700 0.036 0.000 2.561 54 S HA 0.204 4.715 4.470 0.068 0.000 0.225 54 S C 2.121 176.741 174.600 0.033 0.000 0.977 54 S CA 0.271 58.479 58.200 0.013 0.000 0.926 54 S CB -0.108 63.089 63.200 -0.005 0.000 0.769 54 S HN 0.296 nan 8.310 nan 0.000 0.533 55 L N -0.121 121.138 121.223 0.060 0.000 2.221 55 L HA 0.263 4.644 4.340 0.068 0.000 0.202 55 L C 2.677 179.582 176.870 0.058 0.000 1.074 55 L CA 0.765 55.641 54.840 0.060 0.000 0.795 55 L CB -0.401 41.703 42.059 0.076 0.000 0.960 55 L HN 0.250 nan 8.230 nan 0.000 0.458 56 K N 1.458 121.904 120.400 0.077 0.000 2.057 56 K HA -0.007 4.354 4.320 0.068 0.000 0.206 56 K C 0.724 177.356 176.600 0.053 0.000 1.050 56 K CA 1.401 57.733 56.287 0.076 0.000 0.935 56 K CB 0.032 32.596 32.500 0.107 0.000 0.715 56 K HN 0.168 nan 8.250 nan 0.000 0.439 57 A N 0.669 123.511 122.820 0.037 0.000 3.317 57 A HA 0.349 4.710 4.320 0.068 0.000 0.307 57 A C -2.168 175.420 177.584 0.006 0.000 1.003 57 A CA -1.009 51.044 52.037 0.027 0.000 0.882 57 A CB 0.603 19.616 19.000 0.021 0.000 1.136 57 A HN 0.148 nan 8.150 nan 0.000 0.488 58 P HA -0.123 nan 4.420 nan 0.000 0.220 58 P C 0.147 177.439 177.300 -0.012 0.000 1.148 58 P CA 1.183 64.282 63.100 -0.002 0.000 0.803 58 P CB 0.298 32.003 31.700 0.007 0.000 0.782 59 D N -0.904 119.493 120.400 -0.005 0.000 2.340 59 D HA 0.013 4.694 4.640 0.068 0.000 0.220 59 D C 0.297 176.583 176.300 -0.023 0.000 1.039 59 D CA 0.562 54.555 54.000 -0.011 0.000 0.866 59 D CB -0.408 40.394 40.800 0.002 0.000 0.913 59 D HN 0.128 nan 8.370 nan 0.000 0.523 60 T N 1.845 116.380 114.554 -0.032 0.000 2.737 60 T HA 0.352 4.743 4.350 0.068 0.000 0.296 60 T C 0.551 175.203 174.700 -0.081 0.000 0.922 60 T CA -0.155 61.910 62.100 -0.058 0.000 1.079 60 T CB 1.172 69.998 68.868 -0.070 0.000 0.892 60 T HN -0.067 nan 8.240 nan 0.000 0.514 61 R N 2.685 123.132 120.500 -0.088 0.000 2.867 61 R HA 0.684 5.065 4.340 0.068 0.000 0.268 61 R C -0.548 175.689 176.300 -0.105 0.000 1.014 61 R CA -1.057 54.984 56.100 -0.098 0.000 0.946 61 R CB 1.577 31.828 30.300 -0.082 0.000 1.208 61 R HN 0.764 nan 8.270 nan 0.000 0.477 62 N N -1.543 117.097 118.700 -0.100 0.000 3.020 62 N HA -0.012 4.769 4.740 0.068 0.000 0.248 62 N C -0.040 175.421 175.510 -0.081 0.000 1.480 62 N CA -0.866 52.137 53.050 -0.078 0.000 0.874 62 N CB 0.724 39.192 38.487 -0.030 0.000 1.433 62 N HN 0.631 nan 8.380 nan 0.000 0.530 63 E N -0.221 119.946 120.200 -0.056 0.000 2.118 63 E HA -0.243 4.148 4.350 0.068 0.000 0.195 63 E C 1.032 177.558 176.600 -0.124 0.000 0.992 63 E CA 1.420 57.781 56.400 -0.064 0.000 0.804 63 E CB 0.091 29.779 29.700 -0.019 0.000 0.741 63 E HN 0.474 nan 8.360 nan 0.000 0.458 64 K N 0.669 120.957 120.400 -0.186 0.000 2.025 64 K HA -0.069 4.292 4.320 0.068 0.000 0.207 64 K C 2.081 178.509 176.600 -0.286 0.000 1.049 64 K CA 1.185 57.266 56.287 -0.343 0.000 0.933 64 K CB -0.456 31.669 32.500 -0.625 0.000 0.714 64 K HN 0.177 nan 8.250 nan 0.000 0.438 65 L N 0.961 122.025 121.223 -0.265 0.000 2.042 65 L HA -0.249 4.132 4.340 0.068 0.000 0.210 65 L C 1.876 178.627 176.870 -0.199 0.000 1.076 65 L CA 1.417 56.080 54.840 -0.296 0.000 0.749 65 L CB -0.611 41.264 42.059 -0.305 0.000 0.893 65 L HN 0.267 nan 8.230 nan 0.000 0.432 66 N N -0.414 118.197 118.700 -0.149 0.000 2.142 66 N HA -0.144 4.637 4.740 0.068 0.000 0.186 66 N C 2.082 177.529 175.510 -0.105 0.000 1.023 66 N CA 1.647 54.632 53.050 -0.109 0.000 0.852 66 N CB -0.464 37.974 38.487 -0.083 0.000 0.998 66 N HN 0.377 nan 8.380 nan 0.000 0.424 67 S N 0.731 116.359 115.700 -0.119 0.000 2.423 67 S HA 0.010 4.521 4.470 0.068 0.000 0.231 67 S C 1.911 176.447 174.600 -0.107 0.000 1.014 67 S CA 0.479 58.617 58.200 -0.102 0.000 0.965 67 S CB -0.600 62.536 63.200 -0.106 0.000 0.785 67 S HN 0.235 nan 8.310 nan 0.000 0.495 68 L N 0.962 122.104 121.223 -0.134 0.000 2.465 68 L HA 0.081 4.462 4.340 0.068 0.000 0.224 68 L C 2.714 179.532 176.870 -0.087 0.000 1.145 68 L CA 0.980 55.748 54.840 -0.121 0.000 0.834 68 L CB -0.472 41.494 42.059 -0.155 0.000 0.944 68 L HN 0.336 nan 8.230 nan 0.000 0.451 69 E N 0.930 121.082 120.200 -0.080 0.000 2.204 69 E HA -0.251 4.140 4.350 0.068 0.000 0.195 69 E C 1.731 178.306 176.600 -0.041 0.000 0.990 69 E CA 1.343 57.710 56.400 -0.056 0.000 0.821 69 E CB -0.057 29.612 29.700 -0.052 0.000 0.750 69 E HN 0.553 nan 8.360 nan 0.000 0.477 70 D N -0.223 120.152 120.400 -0.042 0.000 2.221 70 D HA -0.155 4.526 4.640 0.068 0.000 0.204 70 D C 1.526 177.808 176.300 -0.029 0.000 0.982 70 D CA 1.667 55.648 54.000 -0.032 0.000 0.857 70 D CB -0.249 40.532 40.800 -0.033 0.000 0.934 70 D HN 0.287 nan 8.370 nan 0.000 0.475 71 V N -3.562 116.332 119.914 -0.034 0.000 3.427 71 V HA 0.368 4.529 4.120 0.068 0.000 0.305 71 V C 0.765 176.846 176.094 -0.020 0.000 1.412 71 V CA -0.776 61.509 62.300 -0.025 0.000 1.086 71 V CB -0.596 31.211 31.823 -0.026 0.000 0.964 71 V HN -0.153 nan 8.190 nan 0.000 0.439 72 R N 1.702 122.188 120.500 -0.023 0.000 2.543 72 R HA 0.518 4.899 4.340 0.068 0.000 0.277 72 R C -0.460 175.832 176.300 -0.013 0.000 1.074 72 R CA 0.046 56.139 56.100 -0.012 0.000 1.076 72 R CB 0.816 31.110 30.300 -0.010 0.000 0.993 72 R HN 0.407 nan 8.270 nan 0.000 0.459 73 K N 0.487 120.882 120.400 -0.008 0.000 2.270 73 K HA 0.356 4.717 4.320 0.068 0.000 0.255 73 K C 0.156 176.756 176.600 0.001 0.000 0.936 73 K CA -0.523 55.744 56.287 -0.032 0.000 0.809 73 K CB 2.247 34.716 32.500 -0.052 0.000 1.131 73 K HN 0.695 nan 8.250 nan 0.000 0.427 74 G N -0.111 108.693 108.800 0.007 0.000 2.630 74 G HA2 0.325 4.326 3.960 0.068 0.000 0.223 74 G HA3 0.325 4.326 3.960 0.068 0.000 0.223 74 G C 0.355 175.322 174.900 0.113 0.000 1.434 74 G CA 0.234 45.399 45.100 0.108 0.000 1.057 74 G HN 0.670 nan 8.290 nan 0.000 0.570 75 S N -2.652 113.209 115.700 0.267 0.000 2.138 75 S HA 0.080 4.591 4.470 0.068 0.000 0.214 75 S C 0.166 174.954 174.600 0.312 0.000 0.829 75 S CA -0.126 58.231 58.200 0.263 0.000 1.385 75 S CB -0.035 63.243 63.200 0.130 0.000 0.905 75 S HN 0.491 nan 8.310 nan 0.000 0.374 76 E N 2.901 123.216 120.200 0.192 0.000 2.414 76 E HA 0.332 4.723 4.350 0.068 0.000 0.263 76 E C -0.186 176.378 176.600 -0.061 0.000 1.000 76 E CA 0.197 56.641 56.400 0.072 0.000 0.914 76 E CB 0.082 29.807 29.700 0.041 0.000 0.948 76 E HN 0.376 nan 8.360 nan 0.000 0.444 77 N N 0.485 119.140 118.700 -0.075 0.000 2.909 77 N HA -0.211 4.570 4.740 0.068 0.000 0.242 77 N C -1.234 174.133 175.510 -0.239 0.000 0.975 77 N CA 1.189 54.131 53.050 -0.181 0.000 0.921 77 N CB -1.321 36.997 38.487 -0.281 0.000 1.112 77 N HN 0.392 nan 8.380 nan 0.000 0.581 78 Y N 0.471 120.777 120.300 0.009 0.000 2.420 78 Y HA 0.666 5.257 4.550 0.069 0.000 0.334 78 Y C 0.886 176.789 175.900 0.005 0.000 1.094 78 Y CA -0.541 57.564 58.100 0.008 0.000 1.126 78 Y CB 1.148 39.613 38.460 0.009 0.000 1.217 78 Y HN 0.114 nan 8.280 nan 0.000 0.462 79 A N 2.405 125.337 122.820 0.186 0.000 2.386 79 A HA 0.377 4.738 4.320 0.068 0.000 0.248 79 A C -0.742 176.894 177.584 0.086 0.000 1.082 79 A CA -0.455 51.643 52.037 0.102 0.000 0.789 79 A CB 0.101 19.151 19.000 0.084 0.000 1.025 79 A HN 0.684 nan 8.150 nan 0.000 0.490 80 L N 2.546 123.799 121.223 0.050 0.000 2.360 80 L HA 0.521 4.902 4.340 0.068 0.000 0.276 80 L C 0.684 177.565 176.870 0.019 0.000 1.121 80 L CA 1.210 56.066 54.840 0.027 0.000 0.845 80 L CB 0.416 42.481 42.059 0.011 0.000 1.143 80 L HN 0.952 nan 8.230 nan 0.000 0.452 81 T N 0.304 114.864 114.554 0.009 0.000 2.838 81 T HA 0.655 5.046 4.350 0.068 0.000 0.292 81 T C 0.163 174.869 174.700 0.009 0.000 1.113 81 T CA -0.172 61.937 62.100 0.014 0.000 1.008 81 T CB 1.004 69.883 68.868 0.018 0.000 1.259 81 T HN 0.780 nan 8.240 nan 0.000 0.520 82 T N 0.332 114.906 114.554 0.034 0.000 2.726 82 T HA 0.226 4.617 4.350 0.068 0.000 0.294 82 T C 1.069 175.787 174.700 0.030 0.000 1.013 82 T CA -0.459 61.669 62.100 0.047 0.000 0.996 82 T CB -0.084 68.857 68.868 0.121 0.000 1.016 82 T HN 0.570 nan 8.240 nan 0.000 0.529 83 N N 0.505 119.224 118.700 0.032 0.000 2.453 83 N HA -0.067 4.714 4.740 0.068 0.000 0.183 83 N C 1.557 177.084 175.510 0.028 0.000 1.041 83 N CA 0.619 53.680 53.050 0.018 0.000 0.900 83 N CB -0.192 38.312 38.487 0.029 0.000 0.961 83 N HN 0.554 nan 8.380 nan 0.000 0.443 84 Q N -0.544 119.283 119.800 0.046 0.000 2.360 84 Q HA 0.206 4.587 4.340 0.068 0.000 0.202 84 Q C 0.832 176.851 176.000 0.032 0.000 0.915 84 Q CA 0.179 56.004 55.803 0.037 0.000 0.943 84 Q CB 0.345 29.108 28.738 0.041 0.000 1.064 84 Q HN 0.390 nan 8.270 nan 0.000 0.511 85 G N 0.469 109.288 108.800 0.031 0.000 2.141 85 G HA2 -0.245 3.756 3.960 0.068 0.000 0.242 85 G HA3 -0.245 3.756 3.960 0.068 0.000 0.242 85 G C 0.132 175.058 174.900 0.043 0.000 0.982 85 G CA 0.177 45.293 45.100 0.026 0.000 0.662 85 G HN 0.234 nan 8.290 nan 0.000 0.527 86 V N 1.961 121.916 119.914 0.069 0.000 2.455 86 V HA 0.328 4.489 4.120 0.068 0.000 0.273 86 V C 1.322 177.459 176.094 0.072 0.000 1.045 86 V CA -0.491 61.863 62.300 0.089 0.000 0.976 86 V CB 0.879 32.800 31.823 0.165 0.000 0.993 86 V HN 0.429 nan 8.190 nan 0.000 0.475 87 R N 4.698 125.232 120.500 0.057 0.000 2.590 87 R HA 0.369 4.750 4.340 0.068 0.000 0.274 87 R C -0.521 175.797 176.300 0.031 0.000 1.061 87 R CA -0.094 56.031 56.100 0.041 0.000 1.081 87 R CB 0.521 30.843 30.300 0.037 0.000 0.984 87 R HN 0.568 nan 8.270 nan 0.000 0.448 88 I N 1.808 122.384 120.570 0.011 0.000 2.353 88 I HA 0.138 4.349 4.170 0.068 0.000 0.293 88 I C 0.900 177.010 176.117 -0.012 0.000 0.992 88 I CA -0.003 61.288 61.300 -0.014 0.000 1.268 88 I CB 1.881 39.863 38.000 -0.031 0.000 1.387 88 I HN 0.786 nan 8.210 nan 0.000 0.478 89 A N 3.968 126.776 122.820 -0.020 0.000 1.924 89 A HA 0.052 4.413 4.320 0.068 0.000 0.211 89 A C 0.585 178.155 177.584 -0.023 0.000 1.198 89 A CA 0.778 52.806 52.037 -0.015 0.000 0.657 89 A CB 0.120 19.114 19.000 -0.010 0.000 0.852 89 A HN 0.674 nan 8.150 nan 0.000 0.454 90 D N -0.559 119.819 120.400 -0.037 0.000 2.421 90 D HA 0.320 5.001 4.640 0.068 0.000 0.254 90 D C -1.296 174.974 176.300 -0.051 0.000 1.238 90 D CA -0.338 53.639 54.000 -0.039 0.000 0.919 90 D CB 1.258 42.035 40.800 -0.038 0.000 1.152 90 D HN 0.054 nan 8.370 nan 0.000 0.552 91 D N 1.944 122.317 120.400 -0.045 0.000 2.358 91 D HA 0.037 4.718 4.640 0.068 0.000 0.224 91 D C 0.724 176.993 176.300 -0.051 0.000 1.123 91 D CA 0.324 54.293 54.000 -0.051 0.000 0.833 91 D CB 0.533 41.308 40.800 -0.042 0.000 0.946 91 D HN 0.229 nan 8.370 nan 0.000 0.505 92 Q N -0.593 119.178 119.800 -0.047 0.000 2.317 92 Q HA 0.250 4.631 4.340 0.068 0.000 0.220 92 Q C -0.161 175.810 176.000 -0.049 0.000 0.873 92 Q CA 0.260 56.035 55.803 -0.046 0.000 0.936 92 Q CB 0.683 29.399 28.738 -0.037 0.000 1.105 92 Q HN 0.227 nan 8.270 nan 0.000 0.520 93 N N 0.147 118.816 118.700 -0.051 0.000 2.242 93 N HA 0.314 5.095 4.740 0.068 0.000 0.292 93 N C -0.927 174.549 175.510 -0.057 0.000 1.125 93 N CA -0.270 52.750 53.050 -0.049 0.000 0.783 93 N CB 2.038 40.501 38.487 -0.040 0.000 1.558 93 N HN -0.175 nan 8.380 nan 0.000 0.472 94 S N 0.710 116.379 115.700 -0.052 0.000 2.603 94 S HA 0.276 4.787 4.470 0.068 0.000 0.268 94 S C 0.203 174.776 174.600 -0.045 0.000 1.317 94 S CA -0.604 57.565 58.200 -0.053 0.000 1.012 94 S CB 0.749 63.924 63.200 -0.042 0.000 0.926 94 S HN 0.417 nan 8.310 nan 0.000 0.539 95 L N 3.199 124.393 121.223 -0.047 0.000 2.319 95 L HA 0.431 4.812 4.340 0.068 0.000 0.280 95 L C 0.073 176.932 176.870 -0.019 0.000 1.099 95 L CA 0.285 55.105 54.840 -0.033 0.000 0.828 95 L CB 0.009 42.048 42.059 -0.034 0.000 1.150 95 L HN 0.736 nan 8.230 nan 0.000 0.442 96 R N 4.201 124.692 120.500 -0.014 0.000 2.836 96 R HA 0.856 5.237 4.340 0.068 0.000 0.269 96 R C -1.144 175.154 176.300 -0.004 0.000 1.010 96 R CA -0.835 55.261 56.100 -0.008 0.000 0.930 96 R CB 1.204 31.498 30.300 -0.011 0.000 1.218 96 R HN 0.591 nan 8.270 nan 0.000 0.473 97 A N 1.290 124.110 122.820 -0.001 0.000 2.798 97 A HA 0.588 4.949 4.320 0.068 0.000 0.316 97 A C 0.559 178.142 177.584 -0.001 0.000 1.506 97 A CA 0.249 52.287 52.037 0.001 0.000 1.162 97 A CB -0.888 18.114 19.000 0.003 0.000 1.138 97 A HN 1.225 nan 8.150 nan 0.000 0.532 98 G N 0.914 109.712 108.800 -0.002 0.000 2.692 98 G HA2 0.052 4.053 3.960 0.068 0.000 0.686 98 G HA3 0.052 4.053 3.960 0.068 0.000 0.686 98 G C 0.714 175.610 174.900 -0.006 0.000 1.243 98 G CA 0.180 45.278 45.100 -0.004 0.000 0.782 98 G HN 1.818 nan 8.290 nan 0.000 0.625 99 S N -0.083 115.613 115.700 -0.007 0.000 2.474 99 S HA 0.005 4.516 4.470 0.068 0.000 0.235 99 S C 1.608 176.202 174.600 -0.010 0.000 0.997 99 S CA 1.521 59.715 58.200 -0.009 0.000 0.949 99 S CB 0.088 63.283 63.200 -0.010 0.000 0.766 99 S HN 0.731 nan 8.310 nan 0.000 0.517 100 R N 0.650 121.145 120.500 -0.008 0.000 2.613 100 R HA 0.334 4.715 4.340 0.068 0.000 0.361 100 R C 0.810 177.106 176.300 -0.006 0.000 1.072 100 R CA 0.051 56.146 56.100 -0.008 0.000 1.089 100 R CB 0.706 31.002 30.300 -0.007 0.000 1.343 100 R HN 0.484 nan 8.270 nan 0.000 0.571 101 G N 1.255 110.051 108.800 -0.006 0.000 2.557 101 G HA2 0.366 4.367 3.960 0.068 0.000 0.302 101 G HA3 0.366 4.367 3.960 0.068 0.000 0.302 101 G C -2.413 172.484 174.900 -0.005 0.000 1.311 101 G CA -0.992 44.106 45.100 -0.004 0.000 1.030 101 G HN -0.066 nan 8.290 nan 0.000 0.509 102 P HA 0.199 nan 4.420 nan 0.000 0.275 102 P C -0.193 177.106 177.300 -0.002 0.000 1.228 102 P CA -0.031 63.068 63.100 -0.002 0.000 0.786 102 P CB 0.843 32.544 31.700 0.001 0.000 0.927 103 T N 2.921 117.473 114.554 -0.003 0.000 2.916 103 T HA 0.214 4.605 4.350 0.068 0.000 0.303 103 T C 0.573 175.275 174.700 0.003 0.000 1.025 103 T CA -0.116 61.981 62.100 -0.004 0.000 1.142 103 T CB 0.005 68.868 68.868 -0.008 0.000 0.947 103 T HN 0.202 nan 8.240 nan 0.000 0.544 104 L N 3.459 124.686 121.223 0.005 0.000 2.334 104 L HA 0.304 4.685 4.340 0.068 0.000 0.277 104 L C 1.463 178.347 176.870 0.023 0.000 1.075 104 L CA -0.749 54.099 54.840 0.014 0.000 0.804 104 L CB 0.789 42.858 42.059 0.017 0.000 1.174 104 L HN 0.530 nan 8.230 nan 0.000 0.438 105 L N 2.192 123.433 121.223 0.030 0.000 2.201 105 L HA -0.174 4.207 4.340 0.068 0.000 0.212 105 L C 2.294 179.200 176.870 0.060 0.000 1.105 105 L CA 1.527 56.391 54.840 0.040 0.000 0.775 105 L CB -0.479 41.602 42.059 0.037 0.000 0.913 105 L HN 0.779 nan 8.230 nan 0.000 0.440 106 E N -1.643 118.597 120.200 0.067 0.000 2.516 106 E HA -0.164 4.227 4.350 0.068 0.000 0.199 106 E C 0.213 176.902 176.600 0.149 0.000 1.069 106 E CA 0.174 56.640 56.400 0.110 0.000 0.876 106 E CB -0.474 29.285 29.700 0.099 0.000 0.843 106 E HN 0.343 nan 8.360 nan 0.000 0.530 107 D N 1.279 121.720 120.400 0.069 0.000 2.498 107 D HA -0.045 4.636 4.640 0.068 0.000 0.229 107 D C 0.437 176.731 176.300 -0.011 0.000 1.188 107 D CA -0.473 53.517 54.000 -0.017 0.000 1.028 107 D CB -0.180 40.588 40.800 -0.052 0.000 1.087 107 D HN 0.306 nan 8.370 nan 0.000 0.510 108 F N 1.742 121.700 119.950 0.014 0.000 2.407 108 F HA 0.074 4.642 4.527 0.068 0.000 0.299 108 F C 1.607 177.419 175.800 0.020 0.000 1.097 108 F CA 0.112 58.123 58.000 0.018 0.000 1.422 108 F CB -0.591 38.419 39.000 0.017 0.000 1.067 108 F HN 0.173 nan 8.300 nan 0.000 0.539 109 I N 0.443 120.603 120.570 -0.683 0.000 2.233 109 I HA -0.192 4.019 4.170 0.068 0.000 0.243 109 I C 2.502 178.519 176.117 -0.167 0.000 1.093 109 I CA 1.109 62.154 61.300 -0.424 0.000 1.380 109 I CB -0.475 37.208 38.000 -0.529 0.000 1.067 109 I HN 0.294 nan 8.210 nan 0.000 0.413 110 L N 1.064 122.194 121.223 -0.154 0.000 2.012 110 L HA -0.203 4.178 4.340 0.068 0.000 0.210 110 L C 2.669 179.531 176.870 -0.013 0.000 1.073 110 L CA 1.837 56.634 54.840 -0.073 0.000 0.748 110 L CB -0.501 41.518 42.059 -0.067 0.000 0.891 110 L HN 0.042 nan 8.230 nan 0.000 0.431 111 R N -0.526 119.984 120.500 0.017 0.000 2.096 111 R HA -0.190 4.190 4.340 0.068 0.000 0.235 111 R C 2.347 178.706 176.300 0.098 0.000 1.127 111 R CA 1.673 57.813 56.100 0.067 0.000 0.968 111 R CB -0.408 29.946 30.300 0.089 0.000 0.861 111 R HN 0.598 nan 8.270 nan 0.000 0.440 112 E N 1.024 121.286 120.200 0.104 0.000 2.072 112 E HA -0.215 4.176 4.350 0.068 0.000 0.191 112 E C 1.915 178.597 176.600 0.135 0.000 0.985 112 E CA 1.093 57.571 56.400 0.130 0.000 0.801 112 E CB 0.143 29.923 29.700 0.133 0.000 0.750 112 E HN 0.159 nan 8.360 nan 0.000 0.452 113 K N 0.304 120.754 120.400 0.083 0.000 2.002 113 K HA -0.136 4.225 4.320 0.068 0.000 0.209 113 K C 2.111 178.786 176.600 0.125 0.000 1.048 113 K CA 1.317 57.648 56.287 0.073 0.000 0.930 113 K CB -0.011 32.489 32.500 0.000 0.000 0.714 113 K HN 0.118 nan 8.250 nan 0.000 0.438 114 I N 1.354 121.984 120.570 0.099 0.000 2.353 114 I HA -0.174 4.037 4.170 0.068 0.000 0.248 114 I C 2.177 178.433 176.117 0.231 0.000 1.119 114 I CA 1.317 62.701 61.300 0.141 0.000 1.417 114 I CB -1.539 36.503 38.000 0.070 0.000 1.078 114 I HN 0.233 nan 8.210 nan 0.000 0.421 115 T N -0.143 114.534 114.554 0.205 0.000 2.684 115 T HA -0.228 4.163 4.350 0.068 0.000 0.267 115 T C 1.962 176.841 174.700 0.298 0.000 1.036 115 T CA 1.510 63.763 62.100 0.254 0.000 1.148 115 T CB -0.477 68.528 68.868 0.229 0.000 0.863 115 T HN 0.349 nan 8.240 nan 0.000 0.436 116 H N -0.047 119.136 119.070 0.188 0.000 2.319 116 H HA -0.099 4.498 4.556 0.069 0.000 0.299 116 H C 2.230 177.640 175.328 0.136 0.000 1.092 116 H CA 1.858 57.997 56.048 0.151 0.000 1.302 116 H CB -0.467 29.358 29.762 0.106 0.000 1.373 116 H HN 0.392 nan 8.280 nan 0.000 0.497 117 F N 2.172 122.210 119.950 0.147 0.000 2.069 117 F HA -0.231 4.338 4.527 0.070 0.000 0.298 117 F C 2.096 177.870 175.800 -0.044 0.000 1.113 117 F CA 1.945 59.974 58.000 0.049 0.000 1.214 117 F CB -0.418 38.599 39.000 0.029 0.000 0.978 117 F HN 0.088 nan 8.300 nan 0.000 0.474 118 D N -1.048 119.300 120.400 -0.087 0.000 2.221 118 D HA -0.180 4.501 4.640 0.068 0.000 0.204 118 D C 1.331 177.304 176.300 -0.545 0.000 0.982 118 D CA 1.354 55.140 54.000 -0.358 0.000 0.857 118 D CB -0.504 40.090 40.800 -0.343 0.000 0.934 118 D HN 0.522 nan 8.370 nan 0.000 0.475 119 H N -0.055 118.896 119.070 -0.199 0.000 2.488 119 H HA 0.213 4.810 4.556 0.068 0.000 0.294 119 H C 1.048 176.212 175.328 -0.273 0.000 1.088 119 H CA -0.063 55.863 56.048 -0.204 0.000 1.086 119 H CB 0.481 30.139 29.762 -0.172 0.000 1.569 119 H HN 0.289 nan 8.280 nan 0.000 0.548 120 E N 0.650 120.692 120.200 -0.264 0.000 2.106 120 E HA -0.047 4.344 4.350 0.068 0.000 0.192 120 E C 0.581 177.030 176.600 -0.251 0.000 0.984 120 E CA 0.540 56.761 56.400 -0.299 0.000 0.806 120 E CB 0.431 29.932 29.700 -0.332 0.000 0.750 120 E HN 0.171 nan 8.360 nan 0.000 0.458 121 R N 1.255 121.658 120.500 -0.161 0.000 2.441 121 R HA 0.324 4.705 4.340 0.068 0.000 0.284 121 R C 0.424 176.748 176.300 0.040 0.000 1.070 121 R CA -0.130 55.942 56.100 -0.047 0.000 1.047 121 R CB 0.543 30.806 30.300 -0.061 0.000 1.016 121 R HN 0.188 nan 8.270 nan 0.000 0.477 122 I N -1.065 119.583 120.570 0.131 0.000 2.846 122 I HA 0.580 4.791 4.170 0.068 0.000 0.307 122 I C -2.303 173.869 176.117 0.090 0.000 1.053 122 I CA -2.960 58.414 61.300 0.123 0.000 1.050 122 I CB 1.930 40.037 38.000 0.179 0.000 1.239 122 I HN 0.250 nan 8.210 nan 0.000 0.439 123 P HA 0.090 nan 4.420 nan 0.000 0.266 123 P C -0.937 176.391 177.300 0.045 0.000 1.195 123 P CA -0.040 63.083 63.100 0.039 0.000 0.768 123 P CB 0.414 32.127 31.700 0.022 0.000 0.838 124 E N 2.318 122.545 120.200 0.046 0.000 2.345 124 E HA 0.236 4.627 4.350 0.068 0.000 0.259 124 E C -0.482 176.139 176.600 0.036 0.000 1.117 124 E CA -0.912 55.521 56.400 0.054 0.000 0.913 124 E CB 0.661 30.399 29.700 0.063 0.000 1.057 124 E HN 0.229 nan 8.360 nan 0.000 0.432 125 R N 0.703 121.228 120.500 0.042 0.000 2.585 125 R HA -0.015 4.366 4.340 0.068 0.000 0.275 125 R C 1.264 177.587 176.300 0.038 0.000 1.018 125 R CA 0.312 56.431 56.100 0.032 0.000 1.072 125 R CB 0.009 30.348 30.300 0.065 0.000 0.953 125 R HN 0.620 nan 8.270 nan 0.000 0.419 126 I N 1.303 121.887 120.570 0.023 0.000 2.208 126 I HA -0.184 4.027 4.170 0.068 0.000 0.245 126 I C 0.780 176.935 176.117 0.063 0.000 1.097 126 I CA 1.029 62.352 61.300 0.038 0.000 1.363 126 I CB -0.560 37.465 38.000 0.041 0.000 1.051 126 I HN 0.253 nan 8.210 nan 0.000 0.413 127 V N -3.594 116.383 119.914 0.106 0.000 3.001 127 V HA 0.507 4.668 4.120 0.068 0.000 0.314 127 V C 0.142 176.372 176.094 0.226 0.000 1.099 127 V CA -0.858 61.526 62.300 0.140 0.000 0.989 127 V CB 1.247 33.209 31.823 0.232 0.000 1.040 127 V HN 0.483 nan 8.190 nan 0.000 0.434 128 H N 0.338 119.464 119.070 0.092 0.000 2.862 128 H HA -0.219 4.378 4.556 0.068 0.000 0.290 128 H C 1.542 176.913 175.328 0.072 0.000 1.211 128 H CA 0.848 56.946 56.048 0.083 0.000 1.140 128 H CB -1.220 28.581 29.762 0.064 0.000 1.341 128 H HN 1.161 nan 8.280 nan 0.000 0.392 129 A N 0.649 123.550 122.820 0.136 0.000 1.972 129 A HA -0.102 4.259 4.320 0.068 0.000 0.219 129 A C 1.713 179.384 177.584 0.144 0.000 1.169 129 A CA 1.301 53.410 52.037 0.120 0.000 0.635 129 A CB -0.052 18.999 19.000 0.084 0.000 0.810 129 A HN 0.244 nan 8.150 nan 0.000 0.446 130 R N 0.279 120.866 120.500 0.146 0.000 2.202 130 R HA 0.516 4.897 4.340 0.068 0.000 0.334 130 R C -0.200 176.227 176.300 0.212 0.000 1.036 130 R CA 0.607 56.813 56.100 0.176 0.000 0.878 130 R CB 0.252 30.643 30.300 0.153 0.000 1.067 130 R HN 0.317 nan 8.270 nan 0.000 0.457 131 G N 1.005 109.953 108.800 0.248 0.000 2.703 131 G HA2 0.494 4.495 3.960 0.068 0.000 0.294 131 G HA3 0.494 4.495 3.960 0.068 0.000 0.294 131 G C -1.621 173.438 174.900 0.265 0.000 1.451 131 G CA -0.593 44.626 45.100 0.199 0.000 0.869 131 G HN 0.493 nan 8.290 nan 0.000 0.516 132 S N -0.810 115.004 115.700 0.189 0.000 2.521 132 S HA 0.883 5.394 4.470 0.068 0.000 0.295 132 S C -0.032 174.591 174.600 0.039 0.000 1.098 132 S CA -0.224 58.137 58.200 0.268 0.000 0.999 132 S CB 1.744 65.214 63.200 0.450 0.000 1.034 132 S HN 1.474 nan 8.310 nan 0.000 0.483 133 A N 1.675 124.473 122.820 -0.038 0.000 2.430 133 A HA 1.038 5.399 4.320 0.068 0.000 0.300 133 A C -0.856 176.530 177.584 -0.330 0.000 1.124 133 A CA -0.801 51.007 52.037 -0.382 0.000 0.766 133 A CB 1.596 20.227 19.000 -0.614 0.000 1.328 133 A HN 1.337 nan 8.150 nan 0.000 0.424 134 A N 0.329 122.781 122.820 -0.613 0.000 2.604 134 A HA 0.692 5.053 4.320 0.068 0.000 0.295 134 A C -1.023 176.330 177.584 -0.384 0.000 1.067 134 A CA -0.678 51.151 52.037 -0.347 0.000 0.683 134 A CB 0.678 19.579 19.000 -0.165 0.000 1.281 134 A HN 0.881 nan 8.150 nan 0.000 0.407 135 H N -0.175 118.899 119.070 0.007 0.000 2.505 135 H HA 0.680 5.277 4.556 0.068 0.000 0.355 135 H C 0.688 176.006 175.328 -0.016 0.000 1.179 135 H CA 0.887 56.991 56.048 0.094 0.000 1.343 135 H CB 1.731 31.553 29.762 0.100 0.000 1.501 135 H HN 1.185 nan 8.280 nan 0.000 0.569 136 G N 0.382 109.278 108.800 0.160 0.000 2.435 136 G HA2 0.328 4.329 3.960 0.068 0.000 0.296 136 G HA3 0.328 4.329 3.960 0.068 0.000 0.296 136 G C -2.119 172.915 174.900 0.222 0.000 1.240 136 G CA -0.640 44.522 45.100 0.102 0.000 0.872 136 G HN 0.630 nan 8.290 nan 0.000 0.480 137 Y N -1.610 118.735 120.300 0.075 0.000 2.597 137 Y HA 0.850 5.440 4.550 0.068 0.000 0.340 137 Y C -1.679 174.364 175.900 0.239 0.000 1.097 137 Y CA -2.228 55.960 58.100 0.145 0.000 1.037 137 Y CB 1.730 40.246 38.460 0.094 0.000 1.305 137 Y HN 0.861 nan 8.280 nan 0.000 0.463 138 F N 2.351 122.471 119.950 0.285 0.000 2.577 138 F HA 0.727 5.296 4.527 0.070 0.000 0.318 138 F C -1.231 174.763 175.800 0.323 0.000 1.065 138 F CA -0.626 57.541 58.000 0.279 0.000 0.929 138 F CB 2.367 41.665 39.000 0.498 0.000 1.237 138 F HN 0.809 nan 8.300 nan 0.000 0.468 139 Q N 6.634 125.860 119.800 -0.957 0.000 2.295 139 Q HA 0.464 4.845 4.340 0.068 0.000 0.268 139 Q C -3.085 172.275 176.000 -1.066 0.000 1.010 139 Q CA -2.154 53.256 55.803 -0.654 0.000 0.856 139 Q CB 2.998 31.632 28.738 -0.174 0.000 1.349 139 Q HN 0.353 nan 8.270 nan 0.000 0.412 140 P HA 0.097 nan 4.420 nan 0.000 0.276 140 P C -0.427 176.720 177.300 -0.255 0.000 1.244 140 P CA -0.125 62.712 63.100 -0.439 0.000 0.801 140 P CB 0.569 32.186 31.700 -0.138 0.000 1.006 141 Y N 0.641 120.878 120.300 -0.105 0.000 2.337 141 Y HA 0.008 4.599 4.550 0.069 0.000 0.293 141 Y C 1.342 177.213 175.900 -0.048 0.000 1.123 141 Y CA 1.113 59.174 58.100 -0.065 0.000 1.201 141 Y CB -0.275 38.155 38.460 -0.050 0.000 1.011 141 Y HN 0.398 nan 8.280 nan 0.000 0.545 142 K N -2.239 118.216 120.400 0.093 0.000 2.579 142 K HA 0.437 4.798 4.320 0.068 0.000 0.284 142 K C -0.672 175.932 176.600 0.006 0.000 0.990 142 K CA -0.867 55.447 56.287 0.045 0.000 0.880 142 K CB 1.491 34.020 32.500 0.048 0.000 1.488 142 K HN -0.268 nan 8.250 nan 0.000 0.425 143 S N 0.834 116.534 115.700 0.002 0.000 2.546 143 S HA 0.105 4.616 4.470 0.068 0.000 0.290 143 S C 0.425 175.014 174.600 -0.018 0.000 1.290 143 S CA -0.491 57.702 58.200 -0.012 0.000 1.069 143 S CB -0.150 63.046 63.200 -0.006 0.000 0.846 143 S HN 0.549 nan 8.310 nan 0.000 0.495 144 L N 4.735 125.937 121.223 -0.035 0.000 2.872 144 L HA 0.124 4.505 4.340 0.068 0.000 0.245 144 L C 2.034 178.889 176.870 -0.026 0.000 1.211 144 L CA 0.010 54.837 54.840 -0.022 0.000 1.013 144 L CB -0.249 41.800 42.059 -0.016 0.000 1.326 144 L HN 0.846 nan 8.230 nan 0.000 0.525 145 S N -1.585 114.098 115.700 -0.028 0.000 2.440 145 S HA -0.205 4.306 4.470 0.068 0.000 0.240 145 S C 1.256 175.840 174.600 -0.027 0.000 1.014 145 S CA 1.255 59.438 58.200 -0.029 0.000 0.980 145 S CB -0.162 63.025 63.200 -0.021 0.000 0.775 145 S HN 0.405 nan 8.310 nan 0.000 0.499 146 D N 2.010 122.398 120.400 -0.019 0.000 2.183 146 D HA 0.030 4.711 4.640 0.068 0.000 0.203 146 D C 1.861 178.143 176.300 -0.030 0.000 0.969 146 D CA 1.430 55.418 54.000 -0.020 0.000 0.842 146 D CB -0.192 40.602 40.800 -0.011 0.000 0.957 146 D HN 0.796 nan 8.370 nan 0.000 0.484 147 I N -3.691 116.863 120.570 -0.027 0.000 4.035 147 I HA 0.216 4.427 4.170 0.068 0.000 0.321 147 I C 0.475 176.548 176.117 -0.073 0.000 1.289 147 I CA 0.065 61.339 61.300 -0.044 0.000 1.236 147 I CB 1.032 39.024 38.000 -0.013 0.000 1.076 147 I HN -0.244 nan 8.210 nan 0.000 0.418 148 T N 1.445 115.960 114.554 -0.066 0.000 2.932 148 T HA 0.310 4.701 4.350 0.068 0.000 0.318 148 T C -0.112 174.538 174.700 -0.084 0.000 1.265 148 T CA -0.715 61.329 62.100 -0.095 0.000 1.036 148 T CB 1.825 70.628 68.868 -0.108 0.000 1.209 148 T HN 0.422 nan 8.240 nan 0.000 0.484 149 K N 2.208 122.557 120.400 -0.086 0.000 2.417 149 K HA 0.586 4.947 4.320 0.068 0.000 0.196 149 K C 0.693 177.262 176.600 -0.053 0.000 1.023 149 K CA -0.343 55.906 56.287 -0.063 0.000 1.122 149 K CB 0.280 32.745 32.500 -0.058 0.000 0.850 149 K HN 0.494 nan 8.250 nan 0.000 0.521 150 A N 2.076 124.848 122.820 -0.081 0.000 2.522 150 A HA -0.043 4.318 4.320 0.068 0.000 0.256 150 A C 0.500 178.067 177.584 -0.028 0.000 1.086 150 A CA 0.037 52.045 52.037 -0.048 0.000 0.763 150 A CB 0.106 19.044 19.000 -0.104 0.000 1.024 150 A HN 0.475 nan 8.150 nan 0.000 0.502 151 D N 2.101 122.549 120.400 0.080 0.000 2.178 151 D HA -0.192 4.489 4.640 0.068 0.000 0.202 151 D C 1.334 177.726 176.300 0.154 0.000 0.974 151 D CA 2.082 56.141 54.000 0.098 0.000 0.841 151 D CB -0.196 40.673 40.800 0.114 0.000 0.953 151 D HN 0.707 nan 8.370 nan 0.000 0.478 152 F N -0.333 119.632 119.950 0.024 0.000 2.546 152 F HA 0.152 4.721 4.527 0.069 0.000 0.298 152 F C 1.080 176.956 175.800 0.127 0.000 1.120 152 F CA 0.501 58.554 58.000 0.088 0.000 1.456 152 F CB -0.603 38.442 39.000 0.074 0.000 1.088 152 F HN -0.023 nan 8.300 nan 0.000 0.572 153 L N 0.545 121.497 121.223 -0.452 0.000 2.728 153 L HA 0.204 4.584 4.340 0.068 0.000 0.238 153 L C 2.044 178.829 176.870 -0.142 0.000 1.143 153 L CA 0.495 55.114 54.840 -0.367 0.000 0.937 153 L CB -0.256 41.462 42.059 -0.569 0.000 1.225 153 L HN 0.299 nan 8.230 nan 0.000 0.507 154 S N -2.126 113.533 115.700 -0.068 0.000 2.527 154 S HA 0.014 4.525 4.470 0.068 0.000 0.222 154 S C 0.423 175.020 174.600 -0.006 0.000 0.985 154 S CA 0.032 58.214 58.200 -0.029 0.000 0.921 154 S CB 0.066 63.264 63.200 -0.003 0.000 0.772 154 S HN 0.370 nan 8.310 nan 0.000 0.529 155 D N 0.461 120.865 120.400 0.007 0.000 2.937 155 D HA 0.302 4.983 4.640 0.068 0.000 0.215 155 D C -2.663 173.647 176.300 0.016 0.000 1.274 155 D CA -1.721 52.289 54.000 0.017 0.000 0.869 155 D CB 2.152 42.970 40.800 0.030 0.000 1.675 155 D HN -0.139 nan 8.370 nan 0.000 0.538 156 P HA 0.029 nan 4.420 nan 0.000 0.233 156 P C 0.274 177.583 177.300 0.015 0.000 1.167 156 P CA 0.461 63.565 63.100 0.006 0.000 0.770 156 P CB 0.466 32.182 31.700 0.027 0.000 0.837 157 N N -0.390 118.325 118.700 0.025 0.000 2.203 157 N HA 0.063 4.844 4.740 0.068 0.000 0.207 157 N C 0.307 175.842 175.510 0.041 0.000 1.130 157 N CA 0.028 53.096 53.050 0.030 0.000 0.861 157 N CB 0.714 39.216 38.487 0.025 0.000 1.005 157 N HN 0.225 nan 8.380 nan 0.000 0.507 158 K N 1.589 122.022 120.400 0.056 0.000 2.264 158 K HA 0.377 4.738 4.320 0.068 0.000 0.277 158 K C -0.338 176.341 176.600 0.130 0.000 1.067 158 K CA -0.251 56.090 56.287 0.090 0.000 0.900 158 K CB 0.912 33.474 32.500 0.103 0.000 1.124 158 K HN -0.032 nan 8.250 nan 0.000 0.469 159 I N 2.714 123.363 120.570 0.131 0.000 2.440 159 I HA 0.153 4.364 4.170 0.068 0.000 0.294 159 I C 0.060 176.336 176.117 0.265 0.000 0.995 159 I CA -0.401 61.012 61.300 0.188 0.000 1.306 159 I CB 1.885 39.952 38.000 0.111 0.000 1.407 159 I HN 0.471 nan 8.210 nan 0.000 0.501 160 T N 6.707 121.502 114.554 0.402 0.000 2.791 160 T HA 0.330 4.720 4.350 0.068 0.000 0.288 160 T C -2.484 172.477 174.700 0.436 0.000 0.999 160 T CA -1.381 60.986 62.100 0.445 0.000 0.952 160 T CB 1.478 70.718 68.868 0.621 0.000 0.938 160 T HN 0.265 nan 8.240 nan 0.000 0.444 161 P HA 0.191 nan 4.420 nan 0.000 0.266 161 P C -0.457 177.097 177.300 0.423 0.000 1.195 161 P CA -0.338 62.956 63.100 0.324 0.000 0.768 161 P CB 0.452 32.263 31.700 0.184 0.000 0.838 162 V N 0.432 120.535 119.914 0.315 0.000 3.074 162 V HA 0.728 4.889 4.120 0.068 0.000 0.314 162 V C -1.237 175.035 176.094 0.297 0.000 1.117 162 V CA -0.983 61.419 62.300 0.169 0.000 1.014 162 V CB 2.231 33.944 31.823 -0.184 0.000 1.057 162 V HN 0.299 nan 8.190 nan 0.000 0.438 163 F N 1.883 121.850 119.950 0.029 0.000 2.507 163 F HA 0.832 5.400 4.527 0.067 0.000 0.328 163 F C -0.772 174.928 175.800 -0.166 0.000 1.136 163 F CA -0.738 57.207 58.000 -0.092 0.000 0.930 163 F CB 1.907 40.873 39.000 -0.056 0.000 1.166 163 F HN 0.519 nan 8.300 nan 0.000 0.436 164 V N 6.578 126.019 119.914 -0.789 0.000 2.555 164 V HA 0.572 4.733 4.120 0.068 0.000 0.302 164 V C -0.688 174.760 176.094 -1.077 0.000 1.038 164 V CA -0.852 60.934 62.300 -0.856 0.000 0.887 164 V CB 2.002 33.261 31.823 -0.940 0.000 0.991 164 V HN 0.722 nan 8.190 nan 0.000 0.434 165 R N 3.391 123.292 120.500 -0.998 0.000 2.439 165 R HA 0.612 4.993 4.340 0.068 0.000 0.310 165 R C -1.746 174.003 176.300 -0.917 0.000 0.955 165 R CA -0.414 55.200 56.100 -0.810 0.000 0.853 165 R CB 1.077 31.138 30.300 -0.398 0.000 1.171 165 R HN 0.511 nan 8.270 nan 0.000 0.449 166 F N 1.898 121.460 119.950 -0.647 0.000 2.425 166 F HA 0.548 5.117 4.527 0.070 0.000 0.331 166 F C 0.438 175.861 175.800 -0.629 0.000 1.085 166 F CA -0.098 57.375 58.000 -0.880 0.000 1.028 166 F CB 2.156 40.134 39.000 -1.704 0.000 1.177 166 F HN 0.637 nan 8.300 nan 0.000 0.487 167 S N -1.087 114.520 115.700 -0.155 0.000 2.643 167 S HA 0.717 5.228 4.470 0.068 0.000 0.270 167 S C -0.608 174.141 174.600 0.249 0.000 1.166 167 S CA -0.822 57.446 58.200 0.113 0.000 0.815 167 S CB 1.431 64.753 63.200 0.203 0.000 1.139 167 S HN 0.702 nan 8.310 nan 0.000 0.472 168 T N -1.804 112.891 114.554 0.236 0.000 2.888 168 T HA 0.716 5.107 4.350 0.068 0.000 0.283 168 T C 0.745 175.441 174.700 -0.007 0.000 1.013 168 T CA -0.289 61.916 62.100 0.175 0.000 0.938 168 T CB 0.640 69.608 68.868 0.167 0.000 1.298 168 T HN 0.547 nan 8.240 nan 0.000 0.580 169 V N -0.052 119.813 119.914 -0.082 0.000 2.854 169 V HA 0.086 4.247 4.120 0.068 0.000 0.236 169 V C 2.817 178.835 176.094 -0.127 0.000 1.157 169 V CA 0.446 62.567 62.300 -0.298 0.000 1.187 169 V CB -0.370 31.369 31.823 -0.140 0.000 0.949 169 V HN 0.875 nan 8.190 nan 0.000 0.488 170 Q N 0.970 120.737 119.800 -0.054 0.000 2.020 170 Q HA 0.018 4.399 4.340 0.068 0.000 0.198 170 Q C 1.319 177.300 176.000 -0.033 0.000 0.974 170 Q CA 1.483 57.253 55.803 -0.054 0.000 0.829 170 Q CB -0.455 28.240 28.738 -0.071 0.000 0.894 170 Q HN 0.589 nan 8.270 nan 0.000 0.433 171 G N -0.196 108.599 108.800 -0.007 0.000 2.636 171 G HA2 0.350 4.351 3.960 0.068 0.000 0.246 171 G HA3 0.350 4.351 3.960 0.068 0.000 0.246 171 G C 0.161 175.071 174.900 0.016 0.000 1.216 171 G CA 0.078 45.178 45.100 0.001 0.000 0.854 171 G HN 0.356 nan 8.290 nan 0.000 0.572 172 G N -1.101 107.705 108.800 0.009 0.000 2.653 172 G HA2 0.477 4.478 3.960 0.068 0.000 0.265 172 G HA3 0.477 4.478 3.960 0.068 0.000 0.265 172 G C 1.306 176.236 174.900 0.051 0.000 1.237 172 G CA 0.424 45.537 45.100 0.023 0.000 0.946 172 G HN 1.074 nan 8.290 nan 0.000 0.522 173 A N -0.751 122.110 122.820 0.067 0.000 2.067 173 A HA 0.150 4.511 4.320 0.068 0.000 0.219 173 A C 2.222 179.846 177.584 0.066 0.000 1.158 173 A CA 1.887 53.983 52.037 0.099 0.000 0.661 173 A CB -0.349 18.729 19.000 0.129 0.000 0.801 173 A HN 1.084 nan 8.150 nan 0.000 0.452 174 G N -0.089 108.731 108.800 0.033 0.000 3.233 174 G HA2 0.323 4.324 3.960 0.068 0.000 0.227 174 G HA3 0.323 4.324 3.960 0.068 0.000 0.227 174 G C 0.735 175.638 174.900 0.005 0.000 1.175 174 G CA 0.647 45.751 45.100 0.008 0.000 0.781 174 G HN 0.643 nan 8.290 nan 0.000 0.542 175 S N -0.204 115.508 115.700 0.019 0.000 2.652 175 S HA 0.754 5.265 4.470 0.068 0.000 0.267 175 S C 0.461 175.075 174.600 0.023 0.000 1.201 175 S CA -0.098 58.109 58.200 0.012 0.000 0.996 175 S CB 1.470 64.679 63.200 0.015 0.000 1.054 175 S HN 0.529 nan 8.310 nan 0.000 0.561 176 A N -0.093 122.738 122.820 0.017 0.000 2.286 176 A HA 0.483 4.844 4.320 0.068 0.000 0.286 176 A C 0.521 178.127 177.584 0.035 0.000 1.097 176 A CA -0.612 51.432 52.037 0.012 0.000 0.821 176 A CB 0.019 19.009 19.000 -0.017 0.000 1.076 176 A HN 0.844 nan 8.150 nan 0.000 0.490 177 D N 0.276 120.681 120.400 0.009 0.000 2.149 177 D HA -0.051 4.629 4.640 0.068 0.000 0.206 177 D C 1.552 177.814 176.300 -0.064 0.000 0.967 177 D CA 2.229 56.236 54.000 0.011 0.000 0.848 177 D CB -0.266 40.481 40.800 -0.088 0.000 0.998 177 D HN 0.666 nan 8.370 nan 0.000 0.474 178 T N 0.061 114.515 114.554 -0.167 0.000 3.332 178 T HA 0.273 4.664 4.350 0.068 0.000 0.246 178 T C 0.909 175.614 174.700 0.008 0.000 0.943 178 T CA -0.537 61.476 62.100 -0.146 0.000 0.922 178 T CB -0.936 67.785 68.868 -0.244 0.000 1.086 178 T HN -0.065 nan 8.240 nan 0.000 0.590 179 V N -1.098 118.863 119.914 0.079 0.000 3.319 179 V HA 0.424 4.585 4.120 0.068 0.000 0.303 179 V C 0.646 176.885 176.094 0.241 0.000 1.094 179 V CA -1.398 60.998 62.300 0.159 0.000 1.106 179 V CB 0.424 32.324 31.823 0.129 0.000 1.099 179 V HN 0.584 nan 8.190 nan 0.000 0.476 180 R N 1.605 122.288 120.500 0.304 0.000 2.202 180 R HA 0.516 4.897 4.340 0.068 0.000 0.334 180 R C -0.967 175.403 176.300 0.117 0.000 1.036 180 R CA -0.132 56.091 56.100 0.205 0.000 0.878 180 R CB 0.329 30.669 30.300 0.067 0.000 1.067 180 R HN 1.060 nan 8.270 nan 0.000 0.457 181 D N 3.202 123.686 120.400 0.139 0.000 2.725 181 D HA 0.204 4.885 4.640 0.068 0.000 0.292 181 D C -0.729 175.680 176.300 0.181 0.000 1.288 181 D CA -0.604 53.474 54.000 0.129 0.000 0.784 181 D CB 1.206 42.077 40.800 0.118 0.000 1.308 181 D HN 0.259 nan 8.370 nan 0.000 0.429 182 I N 1.222 121.920 120.570 0.212 0.000 2.720 182 I HA 0.313 4.524 4.170 0.068 0.000 0.287 182 I C 0.734 176.990 176.117 0.231 0.000 1.090 182 I CA -0.193 61.241 61.300 0.222 0.000 1.384 182 I CB 0.203 38.366 38.000 0.272 0.000 1.420 182 I HN 0.242 nan 8.210 nan 0.000 0.575 183 R N 2.634 123.290 120.500 0.259 0.000 2.589 183 R HA 0.591 4.972 4.340 0.068 0.000 0.293 183 R C -0.050 176.438 176.300 0.313 0.000 0.963 183 R CA -0.751 55.522 56.100 0.288 0.000 0.905 183 R CB 1.510 32.000 30.300 0.316 0.000 1.144 183 R HN 0.820 nan 8.270 nan 0.000 0.459 184 G N 0.764 109.767 108.800 0.338 0.000 2.451 184 G HA2 0.539 4.540 3.960 0.068 0.000 0.303 184 G HA3 0.539 4.540 3.960 0.068 0.000 0.303 184 G C -1.312 173.660 174.900 0.120 0.000 1.166 184 G CA -0.078 45.186 45.100 0.274 0.000 0.884 184 G HN 0.359 nan 8.290 nan 0.000 0.514 185 F N 1.345 121.185 119.950 -0.183 0.000 3.228 185 F HA 0.605 5.172 4.527 0.067 0.000 0.390 185 F C -0.288 175.220 175.800 -0.487 0.000 1.235 185 F CA -1.715 56.093 58.000 -0.321 0.000 1.236 185 F CB 0.796 39.725 39.000 -0.119 0.000 1.855 185 F HN 0.677 nan 8.300 nan 0.000 0.647 186 A N 3.081 125.633 122.820 -0.446 0.000 2.288 186 A HA 0.792 5.153 4.320 0.068 0.000 0.320 186 A C -0.502 176.593 177.584 -0.815 0.000 1.217 186 A CA -0.398 51.169 52.037 -0.783 0.000 0.840 186 A CB 0.798 18.951 19.000 -1.411 0.000 1.179 186 A HN 0.493 nan 8.150 nan 0.000 0.504 187 T N 2.276 116.500 114.554 -0.550 0.000 2.812 187 T HA 0.403 4.794 4.350 0.068 0.000 0.282 187 T C -0.356 174.127 174.700 -0.361 0.000 0.990 187 T CA -0.478 61.331 62.100 -0.486 0.000 0.960 187 T CB 1.137 69.676 68.868 -0.549 0.000 0.948 187 T HN 0.622 nan 8.240 nan 0.000 0.438 188 K N 3.450 123.725 120.400 -0.210 0.000 2.281 188 K HA 0.430 4.791 4.320 0.068 0.000 0.272 188 K C -1.242 175.023 176.600 -0.559 0.000 1.048 188 K CA -0.606 55.501 56.287 -0.301 0.000 0.898 188 K CB 0.271 32.579 32.500 -0.320 0.000 1.128 188 K HN 0.401 nan 8.250 nan 0.000 0.460 189 F N 4.365 124.037 119.950 -0.464 0.000 2.390 189 F HA 0.214 4.781 4.527 0.067 0.000 0.361 189 F C -0.327 175.255 175.800 -0.364 0.000 1.124 189 F CA -0.575 57.209 58.000 -0.360 0.000 1.149 189 F CB 0.509 39.223 39.000 -0.477 0.000 1.160 189 F HN 0.429 nan 8.300 nan 0.000 0.501 190 Y N 1.847 122.211 120.300 0.106 0.000 2.632 190 Y HA 0.208 4.799 4.550 0.068 0.000 0.336 190 Y C 1.082 177.039 175.900 0.095 0.000 1.237 190 Y CA -0.862 57.278 58.100 0.067 0.000 1.595 190 Y CB -0.432 38.056 38.460 0.047 0.000 1.508 190 Y HN 0.557 nan 8.280 nan 0.000 0.480 191 T N -2.370 112.266 114.554 0.137 0.000 2.824 191 T HA 0.183 4.574 4.350 0.068 0.000 0.277 191 T C 1.029 175.814 174.700 0.141 0.000 0.975 191 T CA -0.646 61.543 62.100 0.149 0.000 0.966 191 T CB 1.044 69.970 68.868 0.096 0.000 1.054 191 T HN 0.629 nan 8.240 nan 0.000 0.533 192 E N -0.143 120.145 120.200 0.146 0.000 2.427 192 E HA -0.015 4.376 4.350 0.068 0.000 0.196 192 E C 1.018 177.678 176.600 0.101 0.000 1.028 192 E CA 0.667 57.138 56.400 0.118 0.000 0.864 192 E CB 0.138 29.906 29.700 0.113 0.000 0.813 192 E HN 0.719 nan 8.360 nan 0.000 0.514 193 E N 0.013 120.273 120.200 0.100 0.000 2.734 193 E HA 0.271 4.662 4.350 0.068 0.000 0.211 193 E C 0.005 176.646 176.600 0.069 0.000 0.991 193 E CA -0.271 56.181 56.400 0.087 0.000 1.065 193 E CB 1.426 31.181 29.700 0.092 0.000 1.047 193 E HN 0.171 nan 8.360 nan 0.000 0.470 194 G N 1.085 109.919 108.800 0.056 0.000 2.357 194 G HA2 -0.082 3.919 3.960 0.068 0.000 0.643 194 G HA3 -0.082 3.919 3.960 0.068 0.000 0.643 194 G C -0.968 173.925 174.900 -0.013 0.000 1.358 194 G CA -1.121 43.988 45.100 0.014 0.000 0.986 194 G HN 0.029 nan 8.290 nan 0.000 0.620 195 I N 0.791 121.313 120.570 -0.080 0.000 2.496 195 I HA 0.344 4.555 4.170 0.068 0.000 0.285 195 I C -0.014 176.085 176.117 -0.031 0.000 1.080 195 I CA -0.021 61.202 61.300 -0.129 0.000 1.404 195 I CB 0.889 38.737 38.000 -0.253 0.000 1.403 195 I HN 0.446 nan 8.210 nan 0.000 0.539 196 F N 6.876 126.701 119.950 -0.208 0.000 2.426 196 F HA 0.433 5.000 4.527 0.066 0.000 0.348 196 F C -0.493 175.264 175.800 -0.071 0.000 1.124 196 F CA -1.238 56.642 58.000 -0.201 0.000 1.008 196 F CB 0.735 39.443 39.000 -0.486 0.000 1.139 196 F HN 0.345 nan 8.300 nan 0.000 0.452 197 D N 7.085 127.274 120.400 -0.351 0.000 2.303 197 D HA 0.236 4.917 4.640 0.068 0.000 0.236 197 D C -0.622 175.204 176.300 -0.790 0.000 1.068 197 D CA -0.015 53.734 54.000 -0.417 0.000 0.830 197 D CB 2.313 43.077 40.800 -0.059 0.000 1.109 197 D HN 0.623 nan 8.370 nan 0.000 0.496 198 L N 3.254 123.970 121.223 -0.846 0.000 2.272 198 L HA 0.269 4.650 4.340 0.068 0.000 0.284 198 L C -0.925 175.716 176.870 -0.381 0.000 1.045 198 L CA -0.648 53.774 54.840 -0.697 0.000 0.842 198 L CB 0.686 42.356 42.059 -0.647 0.000 1.224 198 L HN 0.050 nan 8.230 nan 0.000 0.430 199 V N 5.368 125.110 119.914 -0.287 0.000 2.270 199 V HA 0.512 4.673 4.120 0.068 0.000 0.263 199 V C 0.800 176.805 176.094 -0.148 0.000 1.066 199 V CA -0.290 61.854 62.300 -0.261 0.000 0.857 199 V CB 0.368 32.024 31.823 -0.280 0.000 1.099 199 V HN 0.826 nan 8.190 nan 0.000 0.476 200 G N 3.239 111.958 108.800 -0.135 0.000 3.108 200 G HA2 0.687 4.688 3.960 0.068 0.000 0.268 200 G HA3 0.687 4.688 3.960 0.068 0.000 0.268 200 G C -0.929 173.989 174.900 0.030 0.000 1.361 200 G CA -0.600 44.476 45.100 -0.040 0.000 1.047 200 G HN 0.472 nan 8.290 nan 0.000 0.540 201 N N -1.107 117.661 118.700 0.113 0.000 3.167 201 N HA 0.266 5.047 4.740 0.068 0.000 0.323 201 N C 0.292 175.976 175.510 0.290 0.000 1.478 201 N CA -0.706 52.466 53.050 0.203 0.000 0.753 201 N CB 1.283 39.878 38.487 0.180 0.000 1.721 201 N HN 0.541 nan 8.380 nan 0.000 0.618 202 N N -1.228 117.653 118.700 0.302 0.000 2.230 202 N HA 0.009 4.790 4.740 0.068 0.000 0.202 202 N C -0.717 175.022 175.510 0.382 0.000 1.119 202 N CA -0.074 53.207 53.050 0.385 0.000 0.851 202 N CB 0.116 38.807 38.487 0.342 0.000 0.990 202 N HN 0.536 nan 8.380 nan 0.000 0.497 203 T N -2.780 111.813 114.554 0.064 0.000 2.900 203 T HA 0.451 4.842 4.350 0.068 0.000 0.295 203 T C -2.537 171.517 174.700 -1.076 0.000 1.044 203 T CA -1.589 60.129 62.100 -0.637 0.000 0.995 203 T CB 2.920 71.348 68.868 -0.733 0.000 1.072 203 T HN -0.239 nan 8.240 nan 0.000 0.473 204 P HA 0.169 nan 4.420 nan 0.000 0.245 204 P C 0.430 177.190 177.300 -0.900 0.000 1.212 204 P CA 0.103 62.218 63.100 -1.642 0.000 0.774 204 P CB -0.062 30.580 31.700 -1.764 0.000 0.999 205 I N -4.495 115.526 120.570 -0.915 0.000 3.145 205 I HA 0.565 4.776 4.170 0.068 0.000 0.313 205 I C -1.115 174.730 176.117 -0.454 0.000 1.122 205 I CA -1.982 58.949 61.300 -0.616 0.000 0.987 205 I CB 1.131 38.744 38.000 -0.645 0.000 1.236 205 I HN -0.292 nan 8.210 nan 0.000 0.453 206 F N 1.301 120.987 119.950 -0.441 0.000 2.518 206 F HA 0.556 5.125 4.527 0.070 0.000 0.338 206 F C 0.478 176.062 175.800 -0.360 0.000 1.065 206 F CA -1.113 56.673 58.000 -0.355 0.000 1.012 206 F CB 1.354 40.272 39.000 -0.136 0.000 1.297 206 F HN 0.390 nan 8.300 nan 0.000 0.489 207 F N 1.908 121.098 119.950 -1.266 0.000 2.407 207 F HA 0.083 4.650 4.527 0.067 0.000 0.299 207 F C 0.632 176.116 175.800 -0.527 0.000 1.097 207 F CA 0.800 58.231 58.000 -0.948 0.000 1.422 207 F CB -0.331 37.740 39.000 -1.549 0.000 1.067 207 F HN 0.150 nan 8.300 nan 0.000 0.539 208 I N -3.799 116.702 120.570 -0.115 0.000 3.042 208 I HA 0.382 4.592 4.170 0.068 0.000 0.310 208 I C 0.357 176.594 176.117 0.201 0.000 1.117 208 I CA -0.854 60.500 61.300 0.089 0.000 1.003 208 I CB 1.895 40.005 38.000 0.183 0.000 1.228 208 I HN -0.218 nan 8.210 nan 0.000 0.443 209 Q N 0.304 120.232 119.800 0.213 0.000 2.259 209 Q HA 0.141 4.522 4.340 0.068 0.000 0.201 209 Q C -0.252 175.911 176.000 0.272 0.000 0.938 209 Q CA 0.680 56.648 55.803 0.274 0.000 0.872 209 Q CB 0.499 29.449 28.738 0.354 0.000 0.971 209 Q HN 0.649 nan 8.270 nan 0.000 0.494 210 D N -1.205 119.331 120.400 0.227 0.000 2.362 210 D HA 0.309 4.990 4.640 0.068 0.000 0.247 210 D C 0.063 176.486 176.300 0.204 0.000 1.050 210 D CA -0.165 53.944 54.000 0.182 0.000 0.839 210 D CB 1.873 42.758 40.800 0.141 0.000 1.283 210 D HN 0.051 nan 8.370 nan 0.000 0.477 211 A N 3.274 126.186 122.820 0.153 0.000 1.978 211 A HA -0.253 4.108 4.320 0.068 0.000 0.220 211 A C 1.808 179.504 177.584 0.188 0.000 1.170 211 A CA 1.775 53.895 52.037 0.138 0.000 0.636 211 A CB -0.799 18.227 19.000 0.043 0.000 0.810 211 A HN 0.818 nan 8.150 nan 0.000 0.448 212 H N 0.013 119.137 119.070 0.091 0.000 2.457 212 H HA -0.024 4.572 4.556 0.066 0.000 0.297 212 H C 1.544 176.946 175.328 0.123 0.000 1.092 212 H CA 1.842 57.938 56.048 0.081 0.000 1.309 212 H CB 0.083 29.869 29.762 0.039 0.000 1.382 212 H HN 0.411 nan 8.280 nan 0.000 0.535 213 K N -0.656 119.856 120.400 0.186 0.000 2.404 213 K HA -0.043 4.318 4.320 0.068 0.000 0.194 213 K C 1.314 178.037 176.600 0.205 0.000 1.023 213 K CA -0.044 56.352 56.287 0.181 0.000 1.094 213 K CB 0.083 32.745 32.500 0.270 0.000 0.841 213 K HN 0.229 nan 8.250 nan 0.000 0.523 214 F N 3.282 123.278 119.950 0.078 0.000 2.043 214 F HA -0.159 4.409 4.527 0.069 0.000 0.297 214 F C -1.030 174.778 175.800 0.014 0.000 1.121 214 F CA 1.312 59.382 58.000 0.116 0.000 1.199 214 F CB -1.006 38.057 39.000 0.105 0.000 0.968 214 F HN 0.002 nan 8.300 nan 0.000 0.478 215 P HA -0.150 nan 4.420 nan 0.000 0.218 215 P C 1.216 178.211 177.300 -0.509 0.000 1.148 215 P CA 1.952 64.821 63.100 -0.386 0.000 0.822 215 P CB -0.099 31.386 31.700 -0.359 0.000 0.784 216 D N -1.412 118.822 120.400 -0.276 0.000 2.084 216 D HA -0.151 4.530 4.640 0.068 0.000 0.196 216 D C 1.781 177.799 176.300 -0.471 0.000 0.985 216 D CA 1.031 54.905 54.000 -0.210 0.000 0.826 216 D CB -0.847 39.979 40.800 0.043 0.000 0.978 216 D HN 0.131 nan 8.370 nan 0.000 0.456 217 F N 1.950 121.488 119.950 -0.688 0.000 2.075 217 F HA -0.206 4.361 4.527 0.067 0.000 0.297 217 F C 2.233 177.648 175.800 -0.642 0.000 1.113 217 F CA 1.078 58.477 58.000 -1.001 0.000 1.218 217 F CB -0.431 38.175 39.000 -0.658 0.000 0.984 217 F HN -0.245 nan 8.300 nan 0.000 0.472 218 V N 0.473 119.994 119.914 -0.656 0.000 2.343 218 V HA -0.343 3.818 4.120 0.068 0.000 0.247 218 V C 2.385 178.287 176.094 -0.320 0.000 1.051 218 V CA 2.422 64.383 62.300 -0.565 0.000 1.036 218 V CB -1.122 30.403 31.823 -0.497 0.000 0.654 218 V HN 0.477 nan 8.190 nan 0.000 0.451 219 H N -0.135 118.720 119.070 -0.359 0.000 2.352 219 H HA -0.180 4.417 4.556 0.068 0.000 0.299 219 H C 2.331 177.516 175.328 -0.238 0.000 1.097 219 H CA 1.194 57.103 56.048 -0.231 0.000 1.311 219 H CB 0.025 29.697 29.762 -0.150 0.000 1.377 219 H HN 0.495 nan 8.280 nan 0.000 0.504 220 A N 0.383 123.040 122.820 -0.272 0.000 1.930 220 A HA -0.096 4.265 4.320 0.068 0.000 0.217 220 A C 2.516 179.954 177.584 -0.242 0.000 1.175 220 A CA 1.287 53.162 52.037 -0.270 0.000 0.627 220 A CB -0.663 18.046 19.000 -0.486 0.000 0.815 220 A HN 0.296 nan 8.150 nan 0.000 0.443 221 V N -0.146 119.489 119.914 -0.465 0.000 2.788 221 V HA -0.010 4.151 4.120 0.068 0.000 0.251 221 V C 0.948 177.012 176.094 -0.050 0.000 1.068 221 V CA 0.862 62.976 62.300 -0.310 0.000 1.090 221 V CB -0.482 30.965 31.823 -0.628 0.000 0.710 221 V HN 0.338 nan 8.190 nan 0.000 0.467 222 K N 1.047 121.383 120.400 -0.107 0.000 2.187 222 K HA 0.209 4.570 4.320 0.068 0.000 0.247 222 K C -2.299 174.268 176.600 -0.056 0.000 1.019 222 K CA -1.580 54.663 56.287 -0.073 0.000 0.893 222 K CB -0.425 32.017 32.500 -0.096 0.000 1.025 222 K HN 0.165 nan 8.250 nan 0.000 0.500 223 P HA -0.014 nan 4.420 nan 0.000 0.265 223 P C -0.640 176.605 177.300 -0.093 0.000 1.193 223 P CA 0.381 63.361 63.100 -0.199 0.000 0.765 223 P CB 0.261 31.846 31.700 -0.190 0.000 0.823 224 E N 5.675 125.863 120.200 -0.020 0.000 2.414 224 E HA -0.021 4.370 4.350 0.068 0.000 0.263 224 E C -1.213 175.458 176.600 0.118 0.000 1.000 224 E CA -1.259 55.234 56.400 0.156 0.000 0.914 224 E CB 0.125 30.046 29.700 0.368 0.000 0.948 224 E HN 0.428 nan 8.360 nan 0.000 0.444 225 P HA -0.224 nan 4.420 nan 0.000 0.220 225 P C 1.050 178.417 177.300 0.111 0.000 1.148 225 P CA 1.462 64.602 63.100 0.065 0.000 0.803 225 P CB 0.013 31.730 31.700 0.027 0.000 0.782 226 H N -0.921 118.184 119.070 0.057 0.000 2.333 226 H HA -0.079 4.518 4.556 0.068 0.000 0.302 226 H C 1.497 176.923 175.328 0.163 0.000 1.075 226 H CA 1.449 57.522 56.048 0.040 0.000 1.348 226 H CB -1.337 28.381 29.762 -0.073 0.000 1.393 226 H HN 0.315 nan 8.280 nan 0.000 0.509 227 W N 0.025 120.906 121.300 -0.698 0.000 2.870 227 W HA 0.700 5.401 4.660 0.067 0.000 0.358 227 W C 0.370 176.717 176.519 -0.287 0.000 1.043 227 W CA -1.163 55.934 57.345 -0.412 0.000 1.692 227 W CB -0.750 28.462 29.460 -0.414 0.000 1.100 227 W HN 0.438 nan 8.180 nan 0.000 0.557 228 A N 1.300 124.087 122.820 -0.055 0.000 2.578 228 A HA -0.117 4.244 4.320 0.068 0.000 0.298 228 A C -0.518 176.844 177.584 -0.369 0.000 1.472 228 A CA 1.400 53.337 52.037 -0.166 0.000 0.734 228 A CB -2.379 16.553 19.000 -0.114 0.000 1.091 228 A HN 0.485 nan 8.150 nan 0.000 0.426 229 I N 0.667 120.899 120.570 -0.562 0.000 2.722 229 I HA 0.561 4.772 4.170 0.068 0.000 0.295 229 I C -2.503 173.321 176.117 -0.488 0.000 1.161 229 I CA -2.307 58.554 61.300 -0.732 0.000 1.032 229 I CB 3.083 40.156 38.000 -1.544 0.000 1.244 229 I HN 0.242 nan 8.210 nan 0.000 0.421 230 P HA 0.323 nan 4.420 nan 0.000 0.289 230 P C -1.648 175.499 177.300 -0.254 0.000 1.293 230 P CA -0.830 62.058 63.100 -0.353 0.000 0.897 230 P CB 1.591 33.158 31.700 -0.222 0.000 1.166 231 Q N 0.467 120.161 119.800 -0.177 0.000 2.267 231 Q HA 0.487 4.868 4.340 0.068 0.000 0.255 231 Q C 1.049 177.015 176.000 -0.056 0.000 0.923 231 Q CA 0.929 56.663 55.803 -0.115 0.000 0.925 231 Q CB -0.278 28.401 28.738 -0.098 0.000 1.195 231 Q HN 0.817 nan 8.270 nan 0.000 0.417 232 G N 3.079 111.856 108.800 -0.038 0.000 2.225 232 G HA2 -0.296 3.705 3.960 0.068 0.000 0.267 232 G HA3 -0.296 3.705 3.960 0.068 0.000 0.267 232 G C -0.351 174.565 174.900 0.027 0.000 1.024 232 G CA 0.601 45.703 45.100 0.003 0.000 0.784 232 G HN 0.543 nan 8.290 nan 0.000 0.507 233 Q N -1.285 118.519 119.800 0.008 0.000 2.340 233 Q HA 0.547 4.928 4.340 0.068 0.000 0.276 233 Q C 0.727 176.743 176.000 0.027 0.000 1.048 233 Q CA -0.114 55.718 55.803 0.049 0.000 0.832 233 Q CB 1.757 30.563 28.738 0.112 0.000 1.373 233 Q HN 0.468 nan 8.270 nan 0.000 0.409 234 S N -0.648 114.974 115.700 -0.130 0.000 2.556 234 S HA 0.229 4.740 4.470 0.068 0.000 0.216 234 S C 0.815 175.362 174.600 -0.087 0.000 0.970 234 S CA -0.021 57.872 58.200 -0.513 0.000 0.912 234 S CB 0.427 62.779 63.200 -1.414 0.000 0.790 234 S HN 0.587 nan 8.310 nan 0.000 0.504 235 A N 2.480 125.439 122.820 0.232 0.000 2.981 235 A HA 0.523 4.884 4.320 0.068 0.000 0.280 235 A C 0.080 177.917 177.584 0.422 0.000 1.743 235 A CA -0.452 51.810 52.037 0.376 0.000 1.430 235 A CB -1.322 17.852 19.000 0.291 0.000 1.085 235 A HN 0.913 nan 8.150 nan 0.000 0.597 236 H N -2.893 116.384 119.070 0.345 0.000 3.024 236 H HA 0.412 5.009 4.556 0.068 0.000 0.324 236 H C -0.304 175.225 175.328 0.334 0.000 1.347 236 H CA -0.699 55.509 56.048 0.267 0.000 1.182 236 H CB 0.127 30.008 29.762 0.199 0.000 1.889 236 H HN 0.113 nan 8.280 nan 0.000 0.528 237 D N 0.520 121.100 120.400 0.301 0.000 2.133 237 D HA -0.239 4.442 4.640 0.068 0.000 0.192 237 D C 2.123 178.499 176.300 0.128 0.000 1.001 237 D CA 3.290 57.403 54.000 0.187 0.000 0.844 237 D CB -0.433 40.448 40.800 0.136 0.000 0.944 237 D HN 0.796 nan 8.370 nan 0.000 0.447 238 T N -1.568 113.066 114.554 0.134 0.000 2.788 238 T HA -0.216 4.175 4.350 0.068 0.000 0.268 238 T C 1.910 176.568 174.700 -0.070 0.000 1.044 238 T CA 0.836 62.973 62.100 0.061 0.000 1.139 238 T CB -0.800 68.150 68.868 0.136 0.000 0.867 238 T HN 0.176 nan 8.240 nan 0.000 0.454 239 F N 0.834 120.509 119.950 -0.458 0.000 2.069 239 F HA 0.028 4.595 4.527 0.067 0.000 0.298 239 F C 1.878 177.461 175.800 -0.361 0.000 1.113 239 F CA 0.973 58.634 58.000 -0.565 0.000 1.214 239 F CB -0.572 37.905 39.000 -0.872 0.000 0.978 239 F HN 0.154 nan 8.300 nan 0.000 0.474 240 W N 0.436 121.668 121.300 -0.114 0.000 2.519 240 W HA -0.056 4.646 4.660 0.070 0.000 0.266 240 W C 2.265 178.709 176.519 -0.125 0.000 1.253 240 W CA 0.908 58.183 57.345 -0.117 0.000 1.274 240 W CB -0.547 28.932 29.460 0.033 0.000 1.114 240 W HN 0.065 nan 8.180 nan 0.000 0.596 241 D N -0.596 119.849 120.400 0.075 0.000 2.084 241 D HA -0.284 4.397 4.640 0.068 0.000 0.194 241 D C 1.879 178.176 176.300 -0.005 0.000 0.990 241 D CA 1.450 55.475 54.000 0.042 0.000 0.826 241 D CB -0.543 40.291 40.800 0.058 0.000 0.971 241 D HN 0.172 nan 8.370 nan 0.000 0.453 242 Y N 0.533 120.730 120.300 -0.172 0.000 2.097 242 Y HA -0.223 4.368 4.550 0.068 0.000 0.282 242 Y C 2.317 178.079 175.900 -0.230 0.000 1.152 242 Y CA 1.667 59.647 58.100 -0.200 0.000 1.136 242 Y CB -0.498 37.801 38.460 -0.268 0.000 0.975 242 Y HN -0.114 nan 8.280 nan 0.000 0.498 243 V N 0.146 119.926 119.914 -0.223 0.000 2.332 243 V HA -0.346 3.815 4.120 0.068 0.000 0.248 243 V C 2.565 178.591 176.094 -0.114 0.000 1.055 243 V CA 2.272 64.432 62.300 -0.233 0.000 1.038 243 V CB -1.189 30.389 31.823 -0.409 0.000 0.651 243 V HN 0.675 nan 8.190 nan 0.000 0.450 244 S N -0.517 115.160 115.700 -0.038 0.000 2.447 244 S HA -0.012 4.499 4.470 0.068 0.000 0.233 244 S C 1.698 176.256 174.600 -0.070 0.000 1.006 244 S CA 1.159 59.361 58.200 0.003 0.000 0.957 244 S CB -0.372 62.862 63.200 0.057 0.000 0.773 244 S HN 0.556 nan 8.310 nan 0.000 0.507 245 L N -0.038 121.094 121.223 -0.151 0.000 2.554 245 L HA 0.310 4.691 4.340 0.068 0.000 0.225 245 L C 0.568 177.258 176.870 -0.300 0.000 1.104 245 L CA 0.165 54.891 54.840 -0.190 0.000 0.866 245 L CB 0.045 41.994 42.059 -0.183 0.000 1.047 245 L HN 0.250 nan 8.230 nan 0.000 0.468 246 Q N 0.378 119.949 119.800 -0.383 0.000 3.064 246 Q HA 0.230 4.611 4.340 0.068 0.000 0.258 246 Q C -1.929 173.840 176.000 -0.383 0.000 0.972 246 Q CA -1.494 54.041 55.803 -0.446 0.000 0.761 246 Q CB 1.406 29.762 28.738 -0.636 0.000 1.281 246 Q HN 0.006 nan 8.270 nan 0.000 0.455 247 P HA -0.241 nan 4.420 nan 0.000 0.223 247 P C 1.021 178.036 177.300 -0.474 0.000 1.144 247 P CA 1.233 64.083 63.100 -0.417 0.000 0.783 247 P CB 0.230 31.652 31.700 -0.463 0.000 0.771 248 E N 0.621 120.435 120.200 -0.643 0.000 2.267 248 E HA -0.182 4.208 4.350 0.068 0.000 0.197 248 E C 1.480 178.038 176.600 -0.070 0.000 0.998 248 E CA 1.831 58.099 56.400 -0.220 0.000 0.830 248 E CB -1.218 28.416 29.700 -0.111 0.000 0.751 248 E HN 0.306 nan 8.360 nan 0.000 0.491 249 T N -0.663 113.848 114.554 -0.072 0.000 3.055 249 T HA 0.015 4.406 4.350 0.068 0.000 0.265 249 T C 1.975 176.733 174.700 0.096 0.000 1.111 249 T CA 0.450 62.567 62.100 0.028 0.000 1.118 249 T CB -0.354 68.551 68.868 0.061 0.000 0.909 249 T HN 0.148 nan 8.240 nan 0.000 0.501 250 L N 0.288 121.575 121.223 0.107 0.000 2.043 250 L HA -0.158 4.223 4.340 0.068 0.000 0.212 250 L C 2.874 179.906 176.870 0.271 0.000 1.075 250 L CA 2.083 57.056 54.840 0.221 0.000 0.752 250 L CB -0.870 41.334 42.059 0.242 0.000 0.891 250 L HN 0.480 nan 8.230 nan 0.000 0.432 251 H N -0.033 119.084 119.070 0.080 0.000 2.290 251 H HA -0.220 4.377 4.556 0.068 0.000 0.298 251 H C 2.210 177.540 175.328 0.004 0.000 1.087 251 H CA 1.919 58.012 56.048 0.074 0.000 1.291 251 H CB 0.175 29.944 29.762 0.011 0.000 1.369 251 H HN 0.386 nan 8.280 nan 0.000 0.492 252 N N -0.129 118.400 118.700 -0.284 0.000 2.244 252 N HA -0.127 4.654 4.740 0.068 0.000 0.183 252 N C 1.999 177.342 175.510 -0.279 0.000 1.016 252 N CA 0.773 53.442 53.050 -0.636 0.000 0.866 252 N CB 0.258 37.947 38.487 -1.330 0.000 0.980 252 N HN 0.117 nan 8.380 nan 0.000 0.430 253 V N 1.879 121.826 119.914 0.054 0.000 2.282 253 V HA -0.288 3.873 4.120 0.068 0.000 0.249 253 V C 2.536 178.750 176.094 0.201 0.000 1.057 253 V CA 1.372 63.839 62.300 0.279 0.000 1.032 253 V CB -0.404 31.633 31.823 0.357 0.000 0.645 253 V HN 0.411 nan 8.190 nan 0.000 0.447 254 M N -1.692 118.067 119.600 0.264 0.000 2.080 254 M HA -0.226 4.295 4.480 0.068 0.000 0.260 254 M C 2.083 178.369 176.300 -0.024 0.000 1.068 254 M CA 1.956 57.414 55.300 0.265 0.000 1.109 254 M CB -1.318 31.482 32.600 0.332 0.000 1.342 254 M HN 0.474 nan 8.290 nan 0.000 0.405 255 W N 0.479 121.502 121.300 -0.462 0.000 2.358 255 W HA -0.090 4.612 4.660 0.070 0.000 0.303 255 W C 2.810 179.243 176.519 -0.143 0.000 1.208 255 W CA 1.860 58.917 57.345 -0.480 0.000 1.274 255 W CB -0.944 28.165 29.460 -0.585 0.000 1.138 255 W HN 0.303 nan 8.180 nan 0.000 0.515 256 A N -0.673 122.213 122.820 0.110 0.000 1.902 256 A HA -0.193 4.168 4.320 0.068 0.000 0.217 256 A C 1.944 179.563 177.584 0.058 0.000 1.181 256 A CA 1.765 53.867 52.037 0.108 0.000 0.623 256 A CB -0.600 18.493 19.000 0.156 0.000 0.818 256 A HN 0.094 nan 8.150 nan 0.000 0.443 257 M N 0.724 120.318 119.600 -0.011 0.000 2.492 257 M HA 0.021 4.542 4.480 0.068 0.000 0.262 257 M C 1.483 177.816 176.300 0.054 0.000 1.090 257 M CA 0.779 56.018 55.300 -0.102 0.000 1.110 257 M CB -1.389 30.913 32.600 -0.496 0.000 1.407 257 M HN 0.553 nan 8.290 nan 0.000 0.470 258 S N 0.283 116.073 115.700 0.150 0.000 2.640 258 S HA 0.081 4.592 4.470 0.068 0.000 0.262 258 S C 0.747 175.468 174.600 0.202 0.000 1.232 258 S CA -0.426 57.905 58.200 0.218 0.000 0.988 258 S CB 0.701 64.073 63.200 0.286 0.000 1.034 258 S HN 0.208 nan 8.310 nan 0.000 0.569 259 D N 0.105 120.648 120.400 0.237 0.000 2.378 259 D HA 0.022 4.703 4.640 0.068 0.000 0.222 259 D C 1.803 178.245 176.300 0.236 0.000 0.980 259 D CA 0.327 54.488 54.000 0.268 0.000 0.907 259 D CB -0.183 40.845 40.800 0.380 0.000 0.899 259 D HN 0.372 nan 8.370 nan 0.000 0.527 260 R N 0.278 120.907 120.500 0.216 0.000 2.152 260 R HA -0.029 4.352 4.340 0.068 0.000 0.232 260 R C 2.057 178.503 176.300 0.243 0.000 1.117 260 R CA 0.868 57.116 56.100 0.247 0.000 0.981 260 R CB -0.690 29.809 30.300 0.333 0.000 0.870 260 R HN 0.184 nan 8.270 nan 0.000 0.451 261 G N 1.292 110.220 108.800 0.214 0.000 2.650 261 G HA2 -0.026 3.975 3.960 0.068 0.000 0.214 261 G HA3 -0.026 3.975 3.960 0.068 0.000 0.214 261 G C 0.996 176.029 174.900 0.221 0.000 1.136 261 G CA 0.078 45.296 45.100 0.196 0.000 0.789 261 G HN 0.398 nan 8.290 nan 0.000 0.536 262 I N -1.830 118.884 120.570 0.240 0.000 2.871 262 I HA 0.366 4.577 4.170 0.068 0.000 0.284 262 I C -2.859 173.414 176.117 0.260 0.000 1.390 262 I CA -2.675 58.779 61.300 0.257 0.000 0.958 262 I CB 1.797 39.956 38.000 0.265 0.000 1.618 262 I HN -0.260 nan 8.210 nan 0.000 0.595 263 P HA 0.080 nan 4.420 nan 0.000 0.270 263 P C 0.453 177.894 177.300 0.235 0.000 1.223 263 P CA -0.166 63.043 63.100 0.181 0.000 0.785 263 P CB 1.199 32.938 31.700 0.065 0.000 0.923 264 R N 1.244 121.865 120.500 0.202 0.000 2.119 264 R HA 0.082 4.463 4.340 0.068 0.000 0.222 264 R C 0.450 176.886 176.300 0.226 0.000 1.088 264 R CA 1.251 57.523 56.100 0.286 0.000 0.984 264 R CB -0.305 30.153 30.300 0.264 0.000 0.884 264 R HN 0.552 nan 8.270 nan 0.000 0.447 265 S N -2.613 113.021 115.700 -0.111 0.000 2.567 265 S HA 0.214 4.725 4.470 0.068 0.000 0.270 265 S C -0.391 173.896 174.600 -0.522 0.000 1.152 265 S CA -0.869 57.102 58.200 -0.382 0.000 0.835 265 S CB 0.167 63.285 63.200 -0.137 0.000 1.115 265 S HN 0.102 nan 8.310 nan 0.000 0.459 266 Y N 2.081 122.011 120.300 -0.616 0.000 2.403 266 Y HA 0.072 4.664 4.550 0.069 0.000 0.291 266 Y C 2.339 177.872 175.900 -0.612 0.000 1.143 266 Y CA 1.071 58.679 58.100 -0.819 0.000 1.257 266 Y CB -0.306 37.294 38.460 -1.434 0.000 0.984 266 Y HN 0.557 nan 8.280 nan 0.000 0.550 267 R N -0.591 119.781 120.500 -0.212 0.000 2.236 267 R HA -0.012 4.369 4.340 0.068 0.000 0.208 267 R C 0.937 177.212 176.300 -0.042 0.000 1.036 267 R CA 1.447 57.492 56.100 -0.092 0.000 1.001 267 R CB -0.310 29.927 30.300 -0.105 0.000 0.896 267 R HN 0.303 nan 8.270 nan 0.000 0.464 268 T N -1.531 113.004 114.554 -0.031 0.000 3.393 268 T HA 0.395 4.786 4.350 0.068 0.000 0.255 268 T C 0.047 174.786 174.700 0.064 0.000 1.008 268 T CA -0.716 61.393 62.100 0.016 0.000 1.053 268 T CB -0.098 68.767 68.868 -0.006 0.000 1.120 268 T HN 0.091 nan 8.240 nan 0.000 0.538 269 M N -1.203 118.474 119.600 0.129 0.000 2.593 269 M HA 0.747 5.268 4.480 0.068 0.000 0.290 269 M C -1.228 175.247 176.300 0.292 0.000 1.244 269 M CA -0.854 54.561 55.300 0.192 0.000 0.857 269 M CB 2.214 34.915 32.600 0.168 0.000 1.738 269 M HN -0.113 nan 8.290 nan 0.000 0.461 270 E N 0.330 120.707 120.200 0.294 0.000 2.312 270 E HA 0.732 5.122 4.350 0.068 0.000 0.259 270 E C -0.360 176.355 176.600 0.191 0.000 1.122 270 E CA -0.677 55.849 56.400 0.210 0.000 0.922 270 E CB 1.743 31.498 29.700 0.092 0.000 1.109 270 E HN 0.864 nan 8.360 nan 0.000 0.442 271 G N 0.342 109.086 108.800 -0.093 0.000 2.612 271 G HA2 0.640 4.641 3.960 0.068 0.000 0.298 271 G HA3 0.640 4.641 3.960 0.068 0.000 0.298 271 G C -1.604 172.952 174.900 -0.574 0.000 1.336 271 G CA -0.491 44.552 45.100 -0.095 0.000 0.953 271 G HN 0.282 nan 8.290 nan 0.000 0.482 272 F N -0.576 119.322 119.950 -0.086 0.000 2.628 272 F HA 0.496 5.063 4.527 0.067 0.000 0.309 272 F C 1.066 176.785 175.800 -0.134 0.000 1.108 272 F CA -0.380 57.496 58.000 -0.206 0.000 0.971 272 F CB 2.406 41.227 39.000 -0.298 0.000 1.279 272 F HN 0.644 nan 8.300 nan 0.000 0.441 273 G N 0.919 109.795 108.800 0.127 0.000 2.572 273 G HA2 0.082 4.083 3.960 0.068 0.000 0.216 273 G HA3 0.082 4.083 3.960 0.068 0.000 0.216 273 G C 1.259 176.215 174.900 0.094 0.000 1.133 273 G CA 0.965 46.195 45.100 0.217 0.000 0.791 273 G HN 0.797 nan 8.290 nan 0.000 0.538 274 I N -1.031 119.523 120.570 -0.027 0.000 4.608 274 I HA -0.331 3.880 4.170 0.068 0.000 0.051 274 I C 0.632 176.608 176.117 -0.236 0.000 0.619 274 I CA 1.617 62.772 61.300 -0.243 0.000 0.844 274 I CB -1.223 36.526 38.000 -0.418 0.000 0.772 274 I HN 0.281 nan 8.210 nan 0.000 0.161 275 H N 2.076 121.155 119.070 0.016 0.000 2.679 275 H HA 0.215 4.813 4.556 0.070 0.000 0.369 275 H C 0.129 175.385 175.328 -0.120 0.000 1.178 275 H CA 0.551 56.510 56.048 -0.148 0.000 1.419 275 H CB 0.188 29.687 29.762 -0.438 0.000 1.458 275 H HN 0.193 nan 8.280 nan 0.000 0.605 276 T N 3.657 118.176 114.554 -0.057 0.000 2.752 276 T HA 0.215 4.606 4.350 0.068 0.000 0.295 276 T C 0.208 174.851 174.700 -0.095 0.000 0.923 276 T CA 0.034 62.097 62.100 -0.061 0.000 1.112 276 T CB -0.286 68.510 68.868 -0.120 0.000 0.884 276 T HN 0.230 nan 8.240 nan 0.000 0.525 277 F N 1.477 121.395 119.950 -0.053 0.000 2.695 277 F HA 0.688 5.254 4.527 0.066 0.000 0.392 277 F C 1.038 176.803 175.800 -0.058 0.000 1.209 277 F CA -1.297 56.701 58.000 -0.002 0.000 1.138 277 F CB 1.192 40.190 39.000 -0.003 0.000 1.557 277 F HN 0.198 nan 8.300 nan 0.000 0.496 278 R N 0.221 120.784 120.500 0.103 0.000 2.744 278 R HA 0.664 5.045 4.340 0.068 0.000 0.279 278 R C -1.779 174.404 176.300 -0.196 0.000 0.977 278 R CA -0.871 55.155 56.100 -0.124 0.000 0.906 278 R CB 2.173 32.343 30.300 -0.217 0.000 1.197 278 R HN 0.407 nan 8.270 nan 0.000 0.463 279 L N 3.539 124.596 121.223 -0.277 0.000 2.317 279 L HA 0.559 4.940 4.340 0.068 0.000 0.281 279 L C -0.610 176.097 176.870 -0.273 0.000 1.024 279 L CA -0.959 53.725 54.840 -0.260 0.000 0.810 279 L CB 1.490 43.399 42.059 -0.249 0.000 1.240 279 L HN 0.356 nan 8.230 nan 0.000 0.427 280 I N 2.961 123.391 120.570 -0.234 0.000 2.418 280 I HA 0.299 4.510 4.170 0.068 0.000 0.287 280 I C -0.234 175.784 176.117 -0.164 0.000 1.008 280 I CA -0.636 60.523 61.300 -0.234 0.000 1.104 280 I CB 1.461 39.325 38.000 -0.226 0.000 1.264 280 I HN 0.643 nan 8.210 nan 0.000 0.438 281 N N 4.893 123.510 118.700 -0.139 0.000 2.538 281 N HA 0.417 5.198 4.740 0.068 0.000 0.292 281 N C 0.717 176.180 175.510 -0.078 0.000 1.262 281 N CA -0.397 52.595 53.050 -0.097 0.000 0.976 281 N CB 0.657 39.095 38.487 -0.081 0.000 1.161 281 N HN 0.497 nan 8.380 nan 0.000 0.598 282 A N -0.804 121.982 122.820 -0.057 0.000 2.119 282 A HA -0.042 4.319 4.320 0.068 0.000 0.217 282 A C 1.223 178.784 177.584 -0.038 0.000 1.153 282 A CA 1.012 53.022 52.037 -0.045 0.000 0.692 282 A CB -0.681 18.300 19.000 -0.033 0.000 0.799 282 A HN 0.771 nan 8.150 nan 0.000 0.458 283 E N -1.336 118.842 120.200 -0.037 0.000 2.489 283 E HA 0.323 4.714 4.350 0.068 0.000 0.193 283 E C 1.176 177.763 176.600 -0.022 0.000 1.057 283 E CA 0.652 57.036 56.400 -0.027 0.000 0.866 283 E CB 0.018 29.704 29.700 -0.023 0.000 0.916 283 E HN 0.671 nan 8.360 nan 0.000 0.500 284 G N 1.222 110.002 108.800 -0.033 0.000 2.176 284 G HA2 -0.342 3.659 3.960 0.068 0.000 0.232 284 G HA3 -0.342 3.659 3.960 0.068 0.000 0.232 284 G C 0.238 175.136 174.900 -0.004 0.000 0.986 284 G CA 0.084 45.181 45.100 -0.004 0.000 0.643 284 G HN 0.241 nan 8.290 nan 0.000 0.522 285 K N 0.959 121.321 120.400 -0.063 0.000 2.368 285 K HA 0.627 4.988 4.320 0.068 0.000 0.282 285 K C 0.585 177.024 176.600 -0.268 0.000 1.035 285 K CA 0.270 56.491 56.287 -0.110 0.000 0.973 285 K CB 0.501 32.945 32.500 -0.093 0.000 0.957 285 K HN 0.567 nan 8.250 nan 0.000 0.474 286 A N 3.411 125.955 122.820 -0.460 0.000 2.290 286 A HA 0.382 4.743 4.320 0.068 0.000 0.310 286 A C -0.744 176.522 177.584 -0.532 0.000 1.202 286 A CA -0.521 51.094 52.037 -0.703 0.000 0.837 286 A CB 1.075 19.220 19.000 -1.426 0.000 1.139 286 A HN 0.711 nan 8.150 nan 0.000 0.509 287 T N 2.814 117.096 114.554 -0.453 0.000 2.792 287 T HA 0.504 4.895 4.350 0.068 0.000 0.280 287 T C -0.503 173.978 174.700 -0.366 0.000 0.990 287 T CA -0.061 61.829 62.100 -0.350 0.000 0.960 287 T CB 0.209 68.958 68.868 -0.198 0.000 0.939 287 T HN 0.343 nan 8.240 nan 0.000 0.439 288 F N 2.283 122.150 119.950 -0.140 0.000 2.518 288 F HA 0.434 5.001 4.527 0.067 0.000 0.359 288 F C 0.631 176.322 175.800 -0.181 0.000 1.118 288 F CA -0.271 57.643 58.000 -0.143 0.000 1.287 288 F CB 0.457 39.397 39.000 -0.100 0.000 1.132 288 F HN 0.187 nan 8.300 nan 0.000 0.587 289 V N 4.800 124.676 119.914 -0.063 0.000 2.760 289 V HA 0.576 4.737 4.120 0.068 0.000 0.309 289 V C -0.941 174.942 176.094 -0.352 0.000 1.077 289 V CA -0.812 61.306 62.300 -0.302 0.000 0.910 289 V CB 2.043 33.466 31.823 -0.666 0.000 1.008 289 V HN 0.748 nan 8.190 nan 0.000 0.424 290 R N 5.175 125.520 120.500 -0.258 0.000 2.437 290 R HA 0.526 4.907 4.340 0.068 0.000 0.310 290 R C -1.554 174.693 176.300 -0.088 0.000 0.955 290 R CA -0.453 55.547 56.100 -0.166 0.000 0.851 290 R CB 1.844 32.157 30.300 0.022 0.000 1.161 290 R HN 0.569 nan 8.270 nan 0.000 0.446 291 F N 2.585 122.599 119.950 0.106 0.000 2.396 291 F HA 0.312 4.879 4.527 0.067 0.000 0.343 291 F C 1.046 176.803 175.800 -0.073 0.000 1.104 291 F CA 0.074 58.099 58.000 0.042 0.000 1.161 291 F CB 0.728 39.649 39.000 -0.132 0.000 1.146 291 F HN 0.226 nan 8.300 nan 0.000 0.522 292 H N 1.174 120.239 119.070 -0.007 0.000 2.768 292 H HA 0.251 4.848 4.556 0.069 0.000 0.371 292 H C -1.568 173.518 175.328 -0.403 0.000 1.151 292 H CA -0.995 54.929 56.048 -0.206 0.000 1.165 292 H CB 1.936 31.664 29.762 -0.056 0.000 1.722 292 H HN 0.659 nan 8.280 nan 0.000 0.543 293 W N 2.472 123.678 121.300 -0.156 0.000 2.538 293 W HA 0.314 5.014 4.660 0.067 0.000 0.322 293 W C -0.076 176.486 176.519 0.071 0.000 1.028 293 W CA -0.721 56.586 57.345 -0.065 0.000 1.228 293 W CB 1.692 30.992 29.460 -0.267 0.000 1.356 293 W HN 0.207 nan 8.180 nan 0.000 0.452 294 K N 5.592 126.275 120.400 0.471 0.000 2.213 294 K HA 0.365 4.726 4.320 0.068 0.000 0.270 294 K C -2.427 174.405 176.600 0.388 0.000 1.002 294 K CA -1.915 54.581 56.287 0.350 0.000 0.868 294 K CB 1.575 34.221 32.500 0.244 0.000 1.093 294 K HN 0.061 nan 8.250 nan 0.000 0.454 295 P HA 0.039 nan 4.420 nan 0.000 0.269 295 P C 0.542 177.846 177.300 0.008 0.000 1.252 295 P CA 0.009 63.183 63.100 0.125 0.000 0.780 295 P CB 0.420 32.213 31.700 0.155 0.000 0.829 296 L N 2.518 123.688 121.223 -0.089 0.000 2.465 296 L HA -0.056 4.325 4.340 0.068 0.000 0.224 296 L C 2.102 178.945 176.870 -0.044 0.000 1.145 296 L CA 0.976 55.797 54.840 -0.031 0.000 0.834 296 L CB -0.698 41.350 42.059 -0.018 0.000 0.944 296 L HN 0.313 nan 8.230 nan 0.000 0.451 297 A N 0.196 122.964 122.820 -0.087 0.000 2.238 297 A HA 0.408 4.769 4.320 0.068 0.000 0.208 297 A C 1.278 178.859 177.584 -0.005 0.000 1.177 297 A CA 0.676 52.684 52.037 -0.048 0.000 0.804 297 A CB -0.367 18.593 19.000 -0.067 0.000 0.823 297 A HN 0.474 nan 8.150 nan 0.000 0.482 298 G N -0.651 108.160 108.800 0.017 0.000 2.707 298 G HA2 -0.126 3.875 3.960 0.068 0.000 0.686 298 G HA3 -0.126 3.875 3.960 0.068 0.000 0.686 298 G C -0.655 174.272 174.900 0.046 0.000 1.315 298 G CA -0.483 44.644 45.100 0.046 0.000 0.832 298 G HN 0.446 nan 8.290 nan 0.000 0.573 299 K N 0.215 120.646 120.400 0.051 0.000 2.201 299 K HA 0.693 5.054 4.320 0.068 0.000 0.278 299 K C 0.264 176.850 176.600 -0.023 0.000 1.027 299 K CA 0.302 56.603 56.287 0.023 0.000 0.909 299 K CB 1.630 34.133 32.500 0.005 0.000 1.062 299 K HN 1.467 nan 8.250 nan 0.000 0.465 300 A N 1.863 124.661 122.820 -0.038 0.000 2.540 300 A HA 0.557 4.918 4.320 0.068 0.000 0.297 300 A C -1.124 176.505 177.584 0.075 0.000 1.056 300 A CA -0.711 51.254 52.037 -0.120 0.000 0.700 300 A CB 1.602 20.305 19.000 -0.494 0.000 1.280 300 A HN 0.525 nan 8.150 nan 0.000 0.398 301 S N 0.661 116.564 115.700 0.339 0.000 2.671 301 S HA 0.776 5.287 4.470 0.068 0.000 0.299 301 S C -0.030 174.893 174.600 0.539 0.000 1.116 301 S CA -0.643 57.799 58.200 0.403 0.000 0.912 301 S CB 1.194 64.609 63.200 0.358 0.000 1.130 301 S HN 0.649 nan 8.310 nan 0.000 0.501 302 L N 1.214 122.646 121.223 0.348 0.000 2.543 302 L HA 0.573 4.954 4.340 0.068 0.000 0.231 302 L C -0.054 176.933 176.870 0.194 0.000 1.194 302 L CA -0.804 54.162 54.840 0.210 0.000 0.823 302 L CB 0.241 42.348 42.059 0.079 0.000 1.374 302 L HN 0.503 nan 8.230 nan 0.000 0.507 303 V N -3.189 116.741 119.914 0.026 0.000 2.769 303 V HA 0.187 4.348 4.120 0.068 0.000 0.312 303 V C 0.663 176.710 176.094 -0.078 0.000 1.058 303 V CA -0.815 61.467 62.300 -0.030 0.000 0.952 303 V CB 1.637 33.410 31.823 -0.083 0.000 1.019 303 V HN 0.937 nan 8.190 nan 0.000 0.445 304 W N 2.095 123.264 121.300 -0.218 0.000 2.317 304 W HA -0.249 4.452 4.660 0.068 0.000 0.318 304 W C 1.773 178.138 176.519 -0.257 0.000 1.227 304 W CA 2.628 59.839 57.345 -0.223 0.000 1.269 304 W CB -0.082 29.233 29.460 -0.242 0.000 1.155 304 W HN 1.009 nan 8.180 nan 0.000 0.484 305 D N 0.159 120.292 120.400 -0.445 0.000 2.104 305 D HA -0.294 4.387 4.640 0.068 0.000 0.194 305 D C 2.140 178.078 176.300 -0.604 0.000 0.994 305 D CA 2.251 55.944 54.000 -0.512 0.000 0.830 305 D CB -0.539 40.196 40.800 -0.108 0.000 0.959 305 D HN 0.369 nan 8.370 nan 0.000 0.452 306 E N -0.421 119.296 120.200 -0.804 0.000 2.051 306 E HA -0.225 4.166 4.350 0.068 0.000 0.192 306 E C 2.012 178.293 176.600 -0.531 0.000 0.991 306 E CA 1.151 57.043 56.400 -0.847 0.000 0.799 306 E CB -0.227 28.899 29.700 -0.957 0.000 0.748 306 E HN 0.303 nan 8.360 nan 0.000 0.449 307 A N 1.157 123.686 122.820 -0.485 0.000 1.865 307 A HA -0.275 4.086 4.320 0.068 0.000 0.217 307 A C 2.204 179.468 177.584 -0.532 0.000 1.191 307 A CA 1.885 53.687 52.037 -0.392 0.000 0.623 307 A CB -0.811 18.074 19.000 -0.192 0.000 0.826 307 A HN 0.447 nan 8.150 nan 0.000 0.444 308 Q N -0.559 118.681 119.800 -0.932 0.000 2.050 308 Q HA -0.215 4.166 4.340 0.068 0.000 0.202 308 Q C 2.207 177.918 176.000 -0.483 0.000 0.980 308 Q CA 1.940 57.205 55.803 -0.897 0.000 0.840 308 Q CB -0.163 27.720 28.738 -1.426 0.000 0.898 308 Q HN 0.665 nan 8.270 nan 0.000 0.424 309 K N 0.041 120.184 120.400 -0.429 0.000 2.097 309 K HA -0.172 4.189 4.320 0.068 0.000 0.206 309 K C 2.076 178.541 176.600 -0.225 0.000 1.049 309 K CA 0.887 57.021 56.287 -0.254 0.000 0.933 309 K CB -0.090 32.308 32.500 -0.170 0.000 0.717 309 K HN 0.178 nan 8.250 nan 0.000 0.442 310 L N 1.325 122.380 121.223 -0.279 0.000 2.201 310 L HA -0.139 4.242 4.340 0.068 0.000 0.212 310 L C 2.205 178.954 176.870 -0.201 0.000 1.105 310 L CA 2.163 56.840 54.840 -0.271 0.000 0.775 310 L CB -0.893 40.934 42.059 -0.386 0.000 0.913 310 L HN 0.335 nan 8.230 nan 0.000 0.440 311 T N -4.243 110.196 114.554 -0.193 0.000 2.803 311 T HA -0.088 4.303 4.350 0.068 0.000 0.269 311 T C 1.838 176.479 174.700 -0.097 0.000 1.052 311 T CA 1.089 63.112 62.100 -0.129 0.000 1.136 311 T CB -1.017 67.785 68.868 -0.110 0.000 0.864 311 T HN 0.386 nan 8.240 nan 0.000 0.467 312 G N 0.946 109.682 108.800 -0.106 0.000 2.490 312 G HA2 0.024 4.025 3.960 0.068 0.000 0.211 312 G HA3 0.024 4.025 3.960 0.068 0.000 0.211 312 G C 1.893 176.750 174.900 -0.071 0.000 1.159 312 G CA -0.294 44.759 45.100 -0.079 0.000 0.819 312 G HN 0.281 nan 8.290 nan 0.000 0.539 313 R N 0.359 120.808 120.500 -0.086 0.000 2.092 313 R HA 0.023 4.404 4.340 0.068 0.000 0.231 313 R C -0.115 176.157 176.300 -0.047 0.000 1.119 313 R CA 0.903 56.964 56.100 -0.066 0.000 0.970 313 R CB -0.252 29.999 30.300 -0.082 0.000 0.864 313 R HN 0.344 nan 8.270 nan 0.000 0.440 314 D N -0.537 119.832 120.400 -0.051 0.000 2.411 314 D HA 0.127 4.808 4.640 0.068 0.000 0.239 314 D C -2.090 174.211 176.300 0.002 0.000 1.307 314 D CA -1.729 52.272 54.000 0.000 0.000 0.930 314 D CB 1.335 42.176 40.800 0.069 0.000 1.395 314 D HN -0.115 nan 8.370 nan 0.000 0.536 315 P HA 0.001 nan 4.420 nan 0.000 0.228 315 P C -0.067 177.235 177.300 0.004 0.000 1.151 315 P CA 0.649 63.738 63.100 -0.018 0.000 0.770 315 P CB 0.522 32.207 31.700 -0.025 0.000 0.786 316 D N -1.393 119.020 120.400 0.021 0.000 2.463 316 D HA 0.062 4.743 4.640 0.068 0.000 0.224 316 D C 1.140 177.463 176.300 0.037 0.000 1.174 316 D CA -0.496 53.517 54.000 0.022 0.000 0.829 316 D CB -0.454 40.338 40.800 -0.012 0.000 0.993 316 D HN 0.050 nan 8.370 nan 0.000 0.497 317 F N 1.679 121.572 119.950 -0.095 0.000 2.091 317 F HA -0.229 4.339 4.527 0.068 0.000 0.299 317 F C 2.005 177.774 175.800 -0.052 0.000 1.103 317 F CA 1.905 59.845 58.000 -0.100 0.000 1.228 317 F CB -0.115 38.776 39.000 -0.181 0.000 0.984 317 F HN 0.114 nan 8.300 nan 0.000 0.477 318 H N -1.322 117.618 119.070 -0.216 0.000 2.363 318 H HA -0.062 4.535 4.556 0.068 0.000 0.301 318 H C 2.413 177.614 175.328 -0.213 0.000 1.074 318 H CA 0.911 56.706 56.048 -0.421 0.000 1.354 318 H CB -0.123 29.222 29.762 -0.695 0.000 1.397 318 H HN 0.157 nan 8.280 nan 0.000 0.516 319 R N 1.232 121.802 120.500 0.115 0.000 2.091 319 R HA -0.136 4.245 4.340 0.068 0.000 0.238 319 R C 2.415 178.808 176.300 0.155 0.000 1.136 319 R CA 1.358 57.587 56.100 0.214 0.000 0.959 319 R CB -0.014 30.404 30.300 0.197 0.000 0.856 319 R HN 0.202 nan 8.270 nan 0.000 0.437 320 R N 0.358 120.870 120.500 0.019 0.000 2.062 320 R HA -0.159 4.222 4.340 0.068 0.000 0.229 320 R C 2.198 178.492 176.300 -0.009 0.000 1.128 320 R CA 1.915 58.013 56.100 -0.004 0.000 0.960 320 R CB -0.143 30.119 30.300 -0.063 0.000 0.855 320 R HN 0.323 nan 8.270 nan 0.000 0.432 321 E N 0.700 120.777 120.200 -0.205 0.000 2.150 321 E HA -0.196 4.195 4.350 0.068 0.000 0.193 321 E C 1.868 178.436 176.600 -0.054 0.000 0.985 321 E CA 1.132 57.400 56.400 -0.220 0.000 0.814 321 E CB -0.561 28.803 29.700 -0.560 0.000 0.752 321 E HN 0.344 nan 8.360 nan 0.000 0.466 322 L N 0.054 121.284 121.223 0.012 0.000 2.005 322 L HA -0.044 4.337 4.340 0.068 0.000 0.207 322 L C 2.262 179.235 176.870 0.171 0.000 1.072 322 L CA 2.032 56.931 54.840 0.097 0.000 0.744 322 L CB -0.894 41.276 42.059 0.185 0.000 0.895 322 L HN 0.404 nan 8.230 nan 0.000 0.433 323 W N 1.076 122.410 121.300 0.057 0.000 2.335 323 W HA -0.231 4.469 4.660 0.067 0.000 0.311 323 W C 2.206 178.758 176.519 0.056 0.000 1.213 323 W CA 2.295 59.686 57.345 0.077 0.000 1.274 323 W CB -0.216 29.291 29.460 0.078 0.000 1.148 323 W HN 0.364 nan 8.180 nan 0.000 0.498 324 E N -0.043 120.350 120.200 0.322 0.000 2.204 324 E HA -0.141 4.250 4.350 0.068 0.000 0.194 324 E C 2.326 178.970 176.600 0.074 0.000 0.989 324 E CA 1.059 57.567 56.400 0.180 0.000 0.824 324 E CB -0.317 29.438 29.700 0.092 0.000 0.756 324 E HN 0.215 nan 8.360 nan 0.000 0.477 325 A N 1.214 124.076 122.820 0.069 0.000 1.873 325 A HA -0.147 4.214 4.320 0.068 0.000 0.215 325 A C 2.147 179.779 177.584 0.079 0.000 1.186 325 A CA 0.958 53.029 52.037 0.057 0.000 0.616 325 A CB -0.466 18.566 19.000 0.053 0.000 0.823 325 A HN 0.122 nan 8.150 nan 0.000 0.442 326 I N -0.329 120.300 120.570 0.099 0.000 2.315 326 I HA -0.223 3.988 4.170 0.068 0.000 0.248 326 I C 2.353 178.562 176.117 0.153 0.000 1.117 326 I CA 1.298 62.704 61.300 0.176 0.000 1.404 326 I CB -0.370 37.650 38.000 0.034 0.000 1.071 326 I HN 0.411 nan 8.210 nan 0.000 0.419 327 E N 0.855 121.093 120.200 0.063 0.000 2.204 327 E HA -0.149 4.242 4.350 0.068 0.000 0.194 327 E C 2.057 178.692 176.600 0.057 0.000 0.989 327 E CA 1.111 57.558 56.400 0.078 0.000 0.824 327 E CB -0.059 29.715 29.700 0.123 0.000 0.756 327 E HN 0.500 nan 8.360 nan 0.000 0.477 328 A N 0.080 122.909 122.820 0.015 0.000 2.251 328 A HA 0.277 4.638 4.320 0.068 0.000 0.209 328 A C 1.702 179.240 177.584 -0.077 0.000 1.187 328 A CA 0.798 52.815 52.037 -0.034 0.000 0.823 328 A CB -0.035 18.905 19.000 -0.100 0.000 0.846 328 A HN 0.312 nan 8.150 nan 0.000 0.486 329 G N -0.308 108.381 108.800 -0.184 0.000 2.176 329 G HA2 -0.206 3.795 3.960 0.068 0.000 0.253 329 G HA3 -0.206 3.795 3.960 0.068 0.000 0.253 329 G C -0.164 174.242 174.900 -0.824 0.000 0.979 329 G CA 0.246 44.930 45.100 -0.693 0.000 0.641 329 G HN 0.462 nan 8.290 nan 0.000 0.530 330 D N 1.332 121.534 120.400 -0.330 0.000 2.994 330 D HA 0.293 4.974 4.640 0.068 0.000 0.240 330 D C 0.553 176.814 176.300 -0.066 0.000 1.195 330 D CA -0.276 53.617 54.000 -0.178 0.000 0.957 330 D CB -0.496 40.300 40.800 -0.006 0.000 1.105 330 D HN 0.188 nan 8.370 nan 0.000 0.477 331 F N 1.483 121.437 119.950 0.006 0.000 2.593 331 F HA 0.103 4.671 4.527 0.069 0.000 0.393 331 F C -1.532 174.240 175.800 -0.047 0.000 1.037 331 F CA -2.448 55.546 58.000 -0.009 0.000 1.195 331 F CB -0.688 38.316 39.000 0.006 0.000 1.034 331 F HN -0.032 nan 8.300 nan 0.000 0.552 332 P HA 0.085 nan 4.420 nan 0.000 0.267 332 P C -0.858 176.389 177.300 -0.089 0.000 1.209 332 P CA 0.148 63.230 63.100 -0.029 0.000 0.763 332 P CB 0.439 32.202 31.700 0.105 0.000 0.816 333 E N 2.468 122.473 120.200 -0.325 0.000 2.248 333 E HA 0.460 4.850 4.350 0.068 0.000 0.267 333 E C -1.101 175.169 176.600 -0.551 0.000 0.877 333 E CA -0.592 55.657 56.400 -0.251 0.000 0.759 333 E CB 1.533 31.185 29.700 -0.079 0.000 1.182 333 E HN 0.380 nan 8.360 nan 0.000 0.418 334 Y N 0.430 120.802 120.300 0.119 0.000 2.442 334 Y HA 0.237 4.829 4.550 0.070 0.000 0.344 334 Y C -0.228 175.901 175.900 0.382 0.000 0.976 334 Y CA -0.993 57.247 58.100 0.234 0.000 1.040 334 Y CB 2.049 40.605 38.460 0.160 0.000 1.228 334 Y HN 0.490 nan 8.280 nan 0.000 0.451 335 E N 3.289 123.812 120.200 0.538 0.000 2.134 335 E HA 0.381 4.772 4.350 0.068 0.000 0.278 335 E C -1.422 175.464 176.600 0.476 0.000 0.959 335 E CA -0.987 55.690 56.400 0.461 0.000 0.783 335 E CB 1.027 30.938 29.700 0.351 0.000 1.095 335 E HN 0.634 nan 8.360 nan 0.000 0.399 336 L N 4.454 125.899 121.223 0.370 0.000 2.455 336 L HA 0.434 4.815 4.340 0.068 0.000 0.272 336 L C -0.071 176.741 176.870 -0.096 0.000 1.174 336 L CA 0.779 55.551 54.840 -0.113 0.000 0.869 336 L CB 0.880 42.817 42.059 -0.203 0.000 1.130 336 L HN 0.603 nan 8.230 nan 0.000 0.474 337 G N 4.005 112.750 108.800 -0.091 0.000 2.620 337 G HA2 0.608 4.609 3.960 0.068 0.000 0.301 337 G HA3 0.608 4.609 3.960 0.068 0.000 0.301 337 G C -1.705 173.309 174.900 0.189 0.000 1.347 337 G CA -0.418 44.669 45.100 -0.022 0.000 0.971 337 G HN 0.295 nan 8.290 nan 0.000 0.488 338 F N 0.056 120.021 119.950 0.025 0.000 2.495 338 F HA 0.506 5.075 4.527 0.069 0.000 0.327 338 F C 0.403 176.195 175.800 -0.012 0.000 1.103 338 F CA -1.473 56.542 58.000 0.025 0.000 0.949 338 F CB 2.420 41.422 39.000 0.004 0.000 1.142 338 F HN 0.278 nan 8.300 nan 0.000 0.457 339 Q N 3.421 123.334 119.800 0.188 0.000 2.331 339 Q HA 0.539 4.920 4.340 0.068 0.000 0.257 339 Q C -1.114 174.932 176.000 0.076 0.000 0.957 339 Q CA -0.368 55.498 55.803 0.105 0.000 0.923 339 Q CB 1.748 30.560 28.738 0.122 0.000 1.212 339 Q HN 0.529 nan 8.270 nan 0.000 0.443 340 L N 4.747 126.023 121.223 0.088 0.000 2.313 340 L HA 0.579 4.960 4.340 0.068 0.000 0.283 340 L C -0.532 176.396 176.870 0.097 0.000 1.013 340 L CA -0.527 54.353 54.840 0.068 0.000 0.816 340 L CB 1.138 43.242 42.059 0.076 0.000 1.236 340 L HN 0.495 nan 8.230 nan 0.000 0.419 341 I N 4.563 125.206 120.570 0.121 0.000 2.439 341 I HA 0.351 4.562 4.170 0.068 0.000 0.285 341 I C -2.322 173.913 176.117 0.197 0.000 1.021 341 I CA -2.080 59.334 61.300 0.190 0.000 1.091 341 I CB 2.187 40.337 38.000 0.249 0.000 1.242 341 I HN 0.276 nan 8.210 nan 0.000 0.439 342 P HA 0.025 nan 4.420 nan 0.000 0.269 342 P C 0.618 178.008 177.300 0.150 0.000 1.209 342 P CA 0.038 63.184 63.100 0.076 0.000 0.776 342 P CB 1.048 32.780 31.700 0.053 0.000 0.876 343 E N 1.481 121.696 120.200 0.025 0.000 2.160 343 E HA -0.252 4.139 4.350 0.068 0.000 0.195 343 E C 0.791 177.522 176.600 0.218 0.000 0.991 343 E CA 1.369 57.816 56.400 0.077 0.000 0.810 343 E CB 0.073 29.691 29.700 -0.137 0.000 0.742 343 E HN 0.386 nan 8.360 nan 0.000 0.466 344 E N 0.741 121.025 120.200 0.139 0.000 2.268 344 E HA -0.116 4.275 4.350 0.068 0.000 0.195 344 E C 0.772 177.453 176.600 0.134 0.000 0.995 344 E CA 0.922 57.401 56.400 0.131 0.000 0.836 344 E CB 0.021 29.768 29.700 0.078 0.000 0.763 344 E HN 0.259 nan 8.360 nan 0.000 0.491 345 D N 0.324 120.802 120.400 0.130 0.000 2.342 345 D HA -0.027 4.654 4.640 0.068 0.000 0.221 345 D C 1.250 177.591 176.300 0.067 0.000 1.101 345 D CA 0.082 54.122 54.000 0.067 0.000 0.837 345 D CB 0.055 40.874 40.800 0.032 0.000 0.938 345 D HN 0.340 nan 8.370 nan 0.000 0.508 346 E N -0.025 120.221 120.200 0.077 0.000 2.097 346 E HA -0.201 4.190 4.350 0.068 0.000 0.196 346 E C 0.435 176.813 176.600 -0.369 0.000 1.000 346 E CA 1.105 57.356 56.400 -0.249 0.000 0.804 346 E CB 0.019 29.461 29.700 -0.430 0.000 0.740 346 E HN 0.222 nan 8.360 nan 0.000 0.454 347 F N -0.125 119.818 119.950 -0.013 0.000 2.668 347 F HA 0.277 4.844 4.527 0.068 0.000 0.297 347 F C 1.219 176.955 175.800 -0.107 0.000 1.124 347 F CA -0.193 57.782 58.000 -0.042 0.000 1.353 347 F CB 0.608 39.596 39.000 -0.021 0.000 0.992 347 F HN -0.163 nan 8.300 nan 0.000 0.524 348 K N -0.047 120.293 120.400 -0.101 0.000 2.404 348 K HA 0.136 4.497 4.320 0.068 0.000 0.194 348 K C -0.049 176.226 176.600 -0.541 0.000 1.023 348 K CA 0.211 56.313 56.287 -0.308 0.000 1.094 348 K CB 0.179 32.467 32.500 -0.355 0.000 0.841 348 K HN 0.167 nan 8.250 nan 0.000 0.523 349 F N 1.359 121.148 119.950 -0.268 0.000 2.375 349 F HA 0.034 4.602 4.527 0.069 0.000 0.317 349 F C 1.438 177.057 175.800 -0.301 0.000 1.124 349 F CA -0.954 56.793 58.000 -0.423 0.000 1.050 349 F CB 0.439 38.773 39.000 -1.110 0.000 1.314 349 F HN 0.004 nan 8.300 nan 0.000 0.511 350 D N -0.524 119.894 120.400 0.029 0.000 2.319 350 D HA 0.056 4.737 4.640 0.068 0.000 0.230 350 D C -0.533 175.885 176.300 0.198 0.000 1.094 350 D CA 0.142 54.213 54.000 0.117 0.000 0.856 350 D CB -0.927 39.968 40.800 0.160 0.000 0.915 350 D HN 0.245 nan 8.370 nan 0.000 0.517 351 F N -2.065 117.969 119.950 0.140 0.000 2.629 351 F HA 0.514 5.081 4.527 0.068 0.000 0.316 351 F C -0.460 175.328 175.800 -0.020 0.000 1.081 351 F CA -1.734 56.273 58.000 0.011 0.000 0.954 351 F CB 0.847 39.817 39.000 -0.049 0.000 1.337 351 F HN -0.323 nan 8.300 nan 0.000 0.474 352 D N 1.600 122.022 120.400 0.037 0.000 2.308 352 D HA 0.192 4.873 4.640 0.068 0.000 0.251 352 D C 0.970 177.198 176.300 -0.120 0.000 1.127 352 D CA -0.056 53.894 54.000 -0.083 0.000 0.876 352 D CB 1.592 42.367 40.800 -0.042 0.000 1.176 352 D HN 0.764 nan 8.370 nan 0.000 0.446 353 L N 3.366 124.450 121.223 -0.232 0.000 2.191 353 L HA -0.146 4.235 4.340 0.068 0.000 0.212 353 L C 1.874 178.602 176.870 -0.236 0.000 1.103 353 L CA 0.821 55.505 54.840 -0.261 0.000 0.769 353 L CB -0.015 41.768 42.059 -0.460 0.000 0.908 353 L HN 0.484 nan 8.230 nan 0.000 0.438 354 L N -1.204 119.892 121.223 -0.212 0.000 2.592 354 L HA 0.075 4.456 4.340 0.068 0.000 0.227 354 L C 0.333 177.106 176.870 -0.162 0.000 1.127 354 L CA -0.176 54.603 54.840 -0.102 0.000 0.884 354 L CB -0.302 41.794 42.059 0.061 0.000 1.065 354 L HN 0.067 nan 8.230 nan 0.000 0.457 355 D N 2.189 122.264 120.400 -0.542 0.000 2.380 355 D HA 0.125 4.806 4.640 0.068 0.000 0.230 355 D C -1.548 174.527 176.300 -0.376 0.000 1.154 355 D CA -2.253 51.205 54.000 -0.903 0.000 0.859 355 D CB 1.573 41.602 40.800 -1.285 0.000 1.045 355 D HN -0.056 nan 8.370 nan 0.000 0.495 356 P HA -0.040 nan 4.420 nan 0.000 0.242 356 P C 0.807 178.019 177.300 -0.147 0.000 1.197 356 P CA 0.550 63.584 63.100 -0.109 0.000 0.765 356 P CB -0.065 31.665 31.700 0.049 0.000 0.936 357 T N -4.149 110.307 114.554 -0.165 0.000 3.144 357 T HA 0.149 4.540 4.350 0.068 0.000 0.249 357 T C 0.685 175.293 174.700 -0.152 0.000 1.089 357 T CA -0.092 61.924 62.100 -0.141 0.000 0.989 357 T CB -0.252 68.574 68.868 -0.071 0.000 0.992 357 T HN -0.139 nan 8.240 nan 0.000 0.540 358 K N 2.202 122.417 120.400 -0.307 0.000 2.323 358 K HA 0.528 4.889 4.320 0.068 0.000 0.259 358 K C -0.304 176.106 176.600 -0.316 0.000 0.947 358 K CA -0.817 55.145 56.287 -0.542 0.000 0.819 358 K CB 2.222 34.278 32.500 -0.741 0.000 1.109 358 K HN 0.303 nan 8.250 nan 0.000 0.429 359 L N -0.032 121.159 121.223 -0.053 0.000 2.431 359 L HA 0.638 5.019 4.340 0.068 0.000 0.260 359 L C 0.050 176.793 176.870 -0.211 0.000 1.098 359 L CA -0.409 54.365 54.840 -0.111 0.000 0.800 359 L CB 0.251 42.307 42.059 -0.006 0.000 1.210 359 L HN 0.437 nan 8.230 nan 0.000 0.465 360 I N 1.375 121.899 120.570 -0.077 0.000 2.330 360 I HA 0.363 4.574 4.170 0.068 0.000 0.286 360 I C -2.164 173.996 176.117 0.071 0.000 1.025 360 I CA -1.789 59.510 61.300 -0.002 0.000 1.197 360 I CB 1.159 39.152 38.000 -0.012 0.000 1.358 360 I HN 0.455 nan 8.210 nan 0.000 0.467 361 P HA 0.056 nan 4.420 nan 0.000 0.267 361 P C 0.388 177.769 177.300 0.135 0.000 1.205 361 P CA 0.068 63.231 63.100 0.106 0.000 0.765 361 P CB 0.659 32.408 31.700 0.082 0.000 0.828 362 E N 1.909 122.193 120.200 0.140 0.000 2.209 362 E HA -0.208 4.183 4.350 0.068 0.000 0.196 362 E C 1.360 178.021 176.600 0.102 0.000 0.993 362 E CA 0.919 57.388 56.400 0.115 0.000 0.819 362 E CB 0.012 29.782 29.700 0.116 0.000 0.745 362 E HN 0.522 nan 8.360 nan 0.000 0.477 363 E N 0.254 120.515 120.200 0.101 0.000 2.265 363 E HA -0.144 4.247 4.350 0.068 0.000 0.196 363 E C 2.027 178.693 176.600 0.110 0.000 0.996 363 E CA 0.750 57.203 56.400 0.089 0.000 0.832 363 E CB 0.096 29.842 29.700 0.076 0.000 0.756 363 E HN 0.377 nan 8.360 nan 0.000 0.491 364 L N -0.594 120.720 121.223 0.152 0.000 2.221 364 L HA 0.074 4.455 4.340 0.068 0.000 0.202 364 L C 0.685 177.678 176.870 0.206 0.000 1.074 364 L CA 0.372 55.335 54.840 0.205 0.000 0.795 364 L CB 0.463 42.730 42.059 0.347 0.000 0.960 364 L HN -0.218 nan 8.230 nan 0.000 0.458 365 V N 1.764 121.789 119.914 0.185 0.000 2.385 365 V HA 0.311 4.472 4.120 0.068 0.000 0.277 365 V C -2.379 173.774 176.094 0.098 0.000 1.012 365 V CA -1.438 60.955 62.300 0.156 0.000 0.832 365 V CB 1.311 33.237 31.823 0.171 0.000 1.028 365 V HN -0.027 nan 8.190 nan 0.000 0.436 366 P HA 0.177 nan 4.420 nan 0.000 0.272 366 P C -0.240 177.065 177.300 0.007 0.000 1.223 366 P CA -0.004 63.121 63.100 0.041 0.000 0.784 366 P CB 1.260 32.987 31.700 0.044 0.000 0.923 367 V N 3.173 123.055 119.914 -0.054 0.000 2.455 367 V HA 0.072 4.233 4.120 0.068 0.000 0.273 367 V C 0.920 177.002 176.094 -0.021 0.000 1.045 367 V CA 0.105 62.337 62.300 -0.114 0.000 0.976 367 V CB 0.062 31.723 31.823 -0.270 0.000 0.993 367 V HN 0.565 nan 8.190 nan 0.000 0.475 368 Q N 5.350 125.161 119.800 0.018 0.000 2.296 368 Q HA 0.367 4.748 4.340 0.068 0.000 0.257 368 Q C -0.034 175.967 176.000 0.002 0.000 0.942 368 Q CA -0.850 54.970 55.803 0.027 0.000 0.939 368 Q CB 0.688 29.458 28.738 0.053 0.000 1.198 368 Q HN 0.644 nan 8.270 nan 0.000 0.429 369 R N 2.176 122.699 120.500 0.039 0.000 2.583 369 R HA -0.012 4.369 4.340 0.068 0.000 0.274 369 R C 0.343 176.689 176.300 0.077 0.000 0.998 369 R CA 0.322 56.490 56.100 0.114 0.000 1.081 369 R CB 0.664 31.065 30.300 0.168 0.000 0.940 369 R HN 0.607 nan 8.270 nan 0.000 0.413 370 V N 0.814 120.706 119.914 -0.037 0.000 3.137 370 V HA 0.427 4.588 4.120 0.068 0.000 0.236 370 V C 0.691 176.567 176.094 -0.363 0.000 1.260 370 V CA 1.088 63.236 62.300 -0.253 0.000 1.244 370 V CB 0.966 32.359 31.823 -0.717 0.000 1.016 370 V HN 0.926 nan 8.190 nan 0.000 0.477 371 G N -0.243 108.222 108.800 -0.558 0.000 2.495 371 G HA2 0.525 4.526 3.960 0.068 0.000 0.294 371 G HA3 0.525 4.526 3.960 0.068 0.000 0.294 371 G C -1.887 172.662 174.900 -0.586 0.000 1.397 371 G CA -0.526 43.984 45.100 -0.983 0.000 0.790 371 G HN 0.059 nan 8.290 nan 0.000 0.486 372 K N -0.401 119.677 120.400 -0.538 0.000 2.324 372 K HA 0.732 5.093 4.320 0.068 0.000 0.253 372 K C -0.772 175.876 176.600 0.079 0.000 0.932 372 K CA -0.792 55.472 56.287 -0.038 0.000 0.799 372 K CB 2.021 34.533 32.500 0.021 0.000 1.154 372 K HN 0.589 nan 8.250 nan 0.000 0.425 373 M N 4.616 124.393 119.600 0.295 0.000 2.311 373 M HA 0.416 4.937 4.480 0.068 0.000 0.325 373 M C -1.757 174.532 176.300 -0.018 0.000 1.061 373 M CA -0.710 54.714 55.300 0.205 0.000 0.957 373 M CB 1.684 34.440 32.600 0.260 0.000 1.646 373 M HN 0.349 nan 8.290 nan 0.000 0.434 374 V N 5.741 125.484 119.914 -0.285 0.000 2.487 374 V HA 0.469 4.630 4.120 0.068 0.000 0.298 374 V C -1.000 174.964 176.094 -0.216 0.000 1.028 374 V CA -0.816 61.308 62.300 -0.292 0.000 0.860 374 V CB 1.735 33.222 31.823 -0.561 0.000 0.991 374 V HN 0.667 nan 8.190 nan 0.000 0.427 375 L N 5.861 127.042 121.223 -0.069 0.000 2.264 375 L HA 0.489 4.870 4.340 0.068 0.000 0.287 375 L C 0.621 177.395 176.870 -0.160 0.000 1.039 375 L CA 0.010 54.808 54.840 -0.069 0.000 0.829 375 L CB 0.950 43.016 42.059 0.012 0.000 1.211 375 L HN 0.866 nan 8.230 nan 0.000 0.427 376 N N 2.214 120.717 118.700 -0.328 0.000 2.238 376 N HA 0.175 4.956 4.740 0.068 0.000 0.235 376 N C 0.051 175.325 175.510 -0.393 0.000 1.209 376 N CA -0.270 52.304 53.050 -0.793 0.000 0.879 376 N CB 0.742 38.484 38.487 -1.243 0.000 1.136 376 N HN 0.405 nan 8.380 nan 0.000 0.517 377 R N 0.049 120.447 120.500 -0.170 0.000 2.561 377 R HA 0.295 4.676 4.340 0.068 0.000 0.266 377 R C -1.335 174.903 176.300 -0.102 0.000 1.091 377 R CA -0.580 55.449 56.100 -0.118 0.000 0.927 377 R CB 1.268 31.515 30.300 -0.090 0.000 1.240 377 R HN 0.063 nan 8.270 nan 0.000 0.449 378 N N 2.841 121.370 118.700 -0.285 0.000 2.483 378 N HA 0.302 5.083 4.740 0.068 0.000 0.269 378 N C -2.340 173.098 175.510 -0.121 0.000 1.209 378 N CA -1.360 51.388 53.050 -0.503 0.000 0.969 378 N CB 0.637 38.210 38.487 -1.524 0.000 1.173 378 N HN 0.283 nan 8.380 nan 0.000 0.475 379 P HA 0.096 nan 4.420 nan 0.000 0.272 379 P C 0.248 177.704 177.300 0.259 0.000 1.254 379 P CA -0.068 63.199 63.100 0.279 0.000 0.795 379 P CB 0.868 32.773 31.700 0.341 0.000 1.022 380 D N -1.339 119.201 120.400 0.235 0.000 2.259 380 D HA -0.009 4.672 4.640 0.068 0.000 0.216 380 D C 0.309 176.778 176.300 0.282 0.000 0.961 380 D CA 1.238 55.377 54.000 0.231 0.000 0.878 380 D CB 0.181 41.062 40.800 0.134 0.000 1.009 380 D HN 0.358 nan 8.370 nan 0.000 0.490 381 N N 0.022 118.879 118.700 0.261 0.000 2.504 381 N HA -0.002 4.779 4.740 0.068 0.000 0.280 381 N C 0.113 175.821 175.510 0.330 0.000 1.052 381 N CA -0.335 52.884 53.050 0.281 0.000 0.887 381 N CB 1.454 40.073 38.487 0.219 0.000 1.323 381 N HN -0.199 nan 8.380 nan 0.000 0.509 382 F N 4.628 124.727 119.950 0.249 0.000 2.065 382 F HA -0.214 4.354 4.527 0.069 0.000 0.298 382 F C 1.643 177.568 175.800 0.209 0.000 1.112 382 F CA 1.698 59.845 58.000 0.244 0.000 1.212 382 F CB -0.259 38.863 39.000 0.204 0.000 0.975 382 F HN 0.612 nan 8.300 nan 0.000 0.476 383 F N 0.800 120.978 119.950 0.380 0.000 2.075 383 F HA -0.133 4.435 4.527 0.068 0.000 0.297 383 F C 2.348 178.192 175.800 0.073 0.000 1.113 383 F CA 1.880 60.015 58.000 0.225 0.000 1.218 383 F CB -1.065 38.060 39.000 0.209 0.000 0.984 383 F HN 0.008 nan 8.300 nan 0.000 0.472 384 A N -0.290 122.659 122.820 0.216 0.000 1.908 384 A HA -0.198 4.163 4.320 0.068 0.000 0.218 384 A C 2.056 179.550 177.584 -0.150 0.000 1.181 384 A CA 2.180 54.237 52.037 0.034 0.000 0.627 384 A CB -0.700 18.379 19.000 0.132 0.000 0.818 384 A HN 0.623 nan 8.150 nan 0.000 0.445 385 E N -1.586 118.533 120.200 -0.135 0.000 2.175 385 E HA 0.001 4.392 4.350 0.068 0.000 0.195 385 E C 1.952 178.424 176.600 -0.214 0.000 0.934 385 E CA 0.607 56.864 56.400 -0.239 0.000 0.870 385 E CB -0.097 29.500 29.700 -0.171 0.000 0.838 385 E HN 0.753 nan 8.360 nan 0.000 0.474 386 N N 0.784 119.366 118.700 -0.197 0.000 2.124 386 N HA -0.184 4.596 4.740 0.068 0.000 0.188 386 N C 1.965 177.279 175.510 -0.326 0.000 1.045 386 N CA 0.964 53.852 53.050 -0.270 0.000 0.846 386 N CB 0.175 38.150 38.487 -0.853 0.000 1.020 386 N HN -0.109 nan 8.380 nan 0.000 0.432 387 E N 0.679 120.614 120.200 -0.442 0.000 2.118 387 E HA -0.179 4.212 4.350 0.068 0.000 0.195 387 E C 1.510 177.899 176.600 -0.352 0.000 0.992 387 E CA 1.528 57.743 56.400 -0.308 0.000 0.804 387 E CB -0.012 29.554 29.700 -0.224 0.000 0.741 387 E HN 0.483 nan 8.360 nan 0.000 0.458 388 Q N -0.401 119.128 119.800 -0.451 0.000 2.403 388 Q HA 0.253 4.634 4.340 0.068 0.000 0.203 388 Q C -0.097 175.764 176.000 -0.231 0.000 0.932 388 Q CA 0.189 55.787 55.803 -0.342 0.000 0.945 388 Q CB 0.533 29.047 28.738 -0.373 0.000 1.045 388 Q HN 0.222 nan 8.270 nan 0.000 0.511 389 A N 1.171 123.865 122.820 -0.210 0.000 2.477 389 A HA 0.460 4.821 4.320 0.068 0.000 0.246 389 A C -0.157 177.279 177.584 -0.247 0.000 1.078 389 A CA 0.153 52.042 52.037 -0.247 0.000 0.770 389 A CB 0.233 19.163 19.000 -0.117 0.000 1.011 389 A HN 0.266 nan 8.150 nan 0.000 0.494 390 A N 2.656 125.265 122.820 -0.351 0.000 2.311 390 A HA 0.720 5.081 4.320 0.068 0.000 0.306 390 A C -0.822 176.586 177.584 -0.293 0.000 1.189 390 A CA -0.417 51.483 52.037 -0.228 0.000 0.791 390 A CB 0.304 19.200 19.000 -0.174 0.000 1.172 390 A HN 0.635 nan 8.150 nan 0.000 0.481 391 F N 0.506 120.428 119.950 -0.046 0.000 2.507 391 F HA 0.669 5.236 4.527 0.068 0.000 0.327 391 F C 0.609 176.300 175.800 -0.182 0.000 1.068 391 F CA -0.251 57.694 58.000 -0.091 0.000 0.965 391 F CB 2.026 40.937 39.000 -0.149 0.000 1.192 391 F HN 0.525 nan 8.300 nan 0.000 0.476 392 Q N 2.834 122.507 119.800 -0.211 0.000 2.268 392 Q HA 0.239 4.620 4.340 0.068 0.000 0.266 392 Q C -2.156 173.511 176.000 -0.555 0.000 1.006 392 Q CA -1.798 53.619 55.803 -0.644 0.000 0.824 392 Q CB 3.186 31.291 28.738 -1.055 0.000 1.306 392 Q HN 0.246 nan 8.270 nan 0.000 0.424 393 P HA -0.094 nan 4.420 nan 0.000 0.229 393 P C 0.925 178.226 177.300 0.001 0.000 1.160 393 P CA 0.876 63.829 63.100 -0.244 0.000 0.777 393 P CB 0.279 31.833 31.700 -0.243 0.000 0.814 394 G N -1.089 107.613 108.800 -0.163 0.000 2.598 394 G HA2 -0.141 3.860 3.960 0.068 0.000 0.215 394 G HA3 -0.141 3.860 3.960 0.068 0.000 0.215 394 G C 0.319 175.346 174.900 0.213 0.000 1.131 394 G CA 0.049 45.162 45.100 0.021 0.000 0.785 394 G HN 0.430 nan 8.290 nan 0.000 0.539 395 H N 0.502 119.629 119.070 0.096 0.000 2.908 395 H HA 0.413 5.007 4.556 0.064 0.000 0.269 395 H C 0.344 175.779 175.328 0.178 0.000 1.303 395 H CA -0.821 55.271 56.048 0.072 0.000 1.341 395 H CB 0.217 29.980 29.762 0.001 0.000 1.519 395 H HN 0.348 nan 8.280 nan 0.000 0.505 396 I N -0.114 120.598 120.570 0.236 0.000 3.133 396 I HA 0.715 4.926 4.170 0.068 0.000 0.311 396 I C -0.284 175.836 176.117 0.006 0.000 1.072 396 I CA -1.446 59.919 61.300 0.110 0.000 1.015 396 I CB 1.989 39.950 38.000 -0.065 0.000 1.233 396 I HN 0.175 nan 8.210 nan 0.000 0.473 397 V N -1.608 118.293 119.914 -0.022 0.000 3.102 397 V HA 0.681 4.842 4.120 0.068 0.000 0.312 397 V C -2.838 173.358 176.094 0.171 0.000 1.135 397 V CA -2.591 59.748 62.300 0.065 0.000 1.022 397 V CB 1.085 32.917 31.823 0.017 0.000 1.056 397 V HN 0.646 nan 8.190 nan 0.000 0.436 398 P HA 0.338 nan 4.420 nan 0.000 0.261 398 P C 0.908 178.199 177.300 -0.016 0.000 1.183 398 P CA 2.030 65.189 63.100 0.099 0.000 0.761 398 P CB 0.520 32.257 31.700 0.062 0.000 0.785 399 G N 1.882 110.622 108.800 -0.100 0.000 2.231 399 G HA2 -0.152 3.849 3.960 0.068 0.000 0.206 399 G HA3 -0.152 3.849 3.960 0.068 0.000 0.206 399 G C -0.229 174.580 174.900 -0.152 0.000 0.996 399 G CA -0.478 44.549 45.100 -0.122 0.000 0.645 399 G HN 0.444 nan 8.290 nan 0.000 0.498 400 L N 0.090 121.232 121.223 -0.134 0.000 2.301 400 L HA 0.907 5.288 4.340 0.068 0.000 0.264 400 L C -0.525 176.274 176.870 -0.117 0.000 1.016 400 L CA -1.018 53.724 54.840 -0.165 0.000 0.821 400 L CB 2.068 43.967 42.059 -0.266 0.000 1.346 400 L HN 0.114 nan 8.230 nan 0.000 0.429 401 D N -0.829 119.492 120.400 -0.133 0.000 2.665 401 D HA 0.432 5.113 4.640 0.068 0.000 0.287 401 D C -1.225 174.993 176.300 -0.137 0.000 1.266 401 D CA -0.325 53.558 54.000 -0.195 0.000 0.830 401 D CB 1.931 42.701 40.800 -0.050 0.000 1.356 401 D HN 0.011 nan 8.370 nan 0.000 0.437 402 F N 0.120 120.212 119.950 0.236 0.000 2.348 402 F HA 0.525 5.094 4.527 0.070 0.000 0.308 402 F C 1.530 177.377 175.800 0.078 0.000 1.175 402 F CA -0.251 57.833 58.000 0.140 0.000 1.080 402 F CB 0.575 39.626 39.000 0.085 0.000 1.341 402 F HN 0.199 nan 8.300 nan 0.000 0.518 403 T N -2.980 111.688 114.554 0.191 0.000 2.773 403 T HA 0.353 4.744 4.350 0.068 0.000 0.278 403 T C 0.059 174.803 174.700 0.074 0.000 1.011 403 T CA -0.898 61.287 62.100 0.142 0.000 1.014 403 T CB 1.125 70.052 68.868 0.099 0.000 1.293 403 T HN 0.319 nan 8.240 nan 0.000 0.554 404 N N 1.105 119.846 118.700 0.069 0.000 2.370 404 N HA 0.075 4.856 4.740 0.068 0.000 0.198 404 N C -0.008 175.513 175.510 0.018 0.000 1.156 404 N CA 0.016 53.089 53.050 0.038 0.000 0.839 404 N CB -0.422 38.099 38.487 0.057 0.000 0.989 404 N HN 0.691 nan 8.380 nan 0.000 0.468 405 D N 2.304 122.700 120.400 -0.007 0.000 2.662 405 D HA -0.080 4.601 4.640 0.068 0.000 0.233 405 D C -1.338 174.956 176.300 -0.010 0.000 1.129 405 D CA -0.869 53.145 54.000 0.024 0.000 0.851 405 D CB 1.280 42.040 40.800 -0.066 0.000 1.152 405 D HN 0.153 nan 8.370 nan 0.000 0.507 406 P HA -0.096 nan 4.420 nan 0.000 0.231 406 P C 1.585 178.898 177.300 0.022 0.000 1.168 406 P CA 0.086 63.200 63.100 0.023 0.000 0.779 406 P CB 0.437 32.149 31.700 0.020 0.000 0.844 407 L N -0.037 121.218 121.223 0.053 0.000 2.049 407 L HA -0.039 4.342 4.340 0.068 0.000 0.203 407 L C 2.421 179.209 176.870 -0.137 0.000 1.074 407 L CA 1.366 56.235 54.840 0.048 0.000 0.749 407 L CB -1.660 40.515 42.059 0.194 0.000 0.907 407 L HN -0.168 nan 8.230 nan 0.000 0.439 408 L N -0.371 120.604 121.223 -0.414 0.000 2.013 408 L HA -0.260 4.121 4.340 0.068 0.000 0.212 408 L C 2.494 179.127 176.870 -0.395 0.000 1.073 408 L CA 1.875 56.266 54.840 -0.748 0.000 0.753 408 L CB -1.051 40.368 42.059 -1.066 0.000 0.890 408 L HN 0.405 nan 8.230 nan 0.000 0.432 409 Q N -0.188 119.449 119.800 -0.271 0.000 2.077 409 Q HA -0.189 4.192 4.340 0.068 0.000 0.206 409 Q C 2.088 178.005 176.000 -0.139 0.000 0.989 409 Q CA 1.934 57.618 55.803 -0.199 0.000 0.853 409 Q CB -0.898 27.771 28.738 -0.114 0.000 0.907 409 Q HN 0.719 nan 8.270 nan 0.000 0.418 410 G N 0.275 109.022 108.800 -0.088 0.000 2.511 410 G HA2 -0.186 3.815 3.960 0.068 0.000 0.217 410 G HA3 -0.186 3.815 3.960 0.068 0.000 0.217 410 G C 1.446 176.345 174.900 -0.002 0.000 1.133 410 G CA 0.039 45.127 45.100 -0.020 0.000 0.792 410 G HN 0.260 nan 8.290 nan 0.000 0.539 411 R N -0.190 120.262 120.500 -0.080 0.000 2.189 411 R HA 0.156 4.537 4.340 0.068 0.000 0.223 411 R C 2.270 178.562 176.300 -0.013 0.000 1.092 411 R CA 0.312 56.405 56.100 -0.011 0.000 0.989 411 R CB -0.284 29.988 30.300 -0.048 0.000 0.876 411 R HN 0.334 nan 8.270 nan 0.000 0.457 412 L N -0.395 120.750 121.223 -0.129 0.000 2.141 412 L HA -0.144 4.237 4.340 0.068 0.000 0.209 412 L C 2.162 179.018 176.870 -0.023 0.000 1.094 412 L CA 1.017 55.751 54.840 -0.176 0.000 0.763 412 L CB -0.354 41.490 42.059 -0.358 0.000 0.908 412 L HN 0.148 nan 8.230 nan 0.000 0.437 413 F N 0.029 119.932 119.950 -0.078 0.000 2.149 413 F HA -0.165 4.388 4.527 0.042 0.000 0.294 413 F C 2.796 178.594 175.800 -0.003 0.000 1.095 413 F CA 1.509 59.488 58.000 -0.035 0.000 1.276 413 F CB -0.261 38.720 39.000 -0.032 0.000 1.023 413 F HN -0.074 nan 8.300 nan 0.000 0.480 414 S N -0.643 115.022 115.700 -0.058 0.000 2.382 414 S HA -0.223 4.288 4.470 0.068 0.000 0.228 414 S C 2.042 176.514 174.600 -0.214 0.000 1.027 414 S CA 1.626 59.723 58.200 -0.171 0.000 0.991 414 S CB -0.699 62.467 63.200 -0.057 0.000 0.823 414 S HN 0.509 nan 8.310 nan 0.000 0.469 415 Y N 1.876 122.021 120.300 -0.258 0.000 2.200 415 Y HA -0.004 4.584 4.550 0.062 0.000 0.290 415 Y C 3.010 178.727 175.900 -0.304 0.000 1.137 415 Y CA 1.442 59.389 58.100 -0.255 0.000 1.163 415 Y CB -1.331 36.980 38.460 -0.248 0.000 0.988 415 Y HN 0.253 nan 8.280 nan 0.000 0.518 416 T N -0.495 113.980 114.554 -0.131 0.000 2.777 416 T HA -0.192 4.199 4.350 0.068 0.000 0.266 416 T C 1.489 176.066 174.700 -0.205 0.000 1.040 416 T CA 1.601 63.612 62.100 -0.147 0.000 1.141 416 T CB -0.461 68.390 68.868 -0.028 0.000 0.868 416 T HN 0.330 nan 8.240 nan 0.000 0.444 417 D N 0.883 121.092 120.400 -0.320 0.000 2.087 417 D HA -0.136 4.545 4.640 0.068 0.000 0.192 417 D C 2.322 178.499 176.300 -0.205 0.000 0.993 417 D CA 1.762 55.573 54.000 -0.314 0.000 0.828 417 D CB -0.665 39.780 40.800 -0.592 0.000 0.968 417 D HN 0.211 nan 8.370 nan 0.000 0.448 418 T N -0.910 113.512 114.554 -0.219 0.000 2.778 418 T HA -0.200 4.191 4.350 0.068 0.000 0.269 418 T C 1.840 176.430 174.700 -0.183 0.000 1.050 418 T CA 1.661 63.658 62.100 -0.172 0.000 1.137 418 T CB -0.247 68.505 68.868 -0.193 0.000 0.860 418 T HN 0.271 nan 8.240 nan 0.000 0.468 419 Q N -0.278 119.358 119.800 -0.275 0.000 2.297 419 Q HA 0.045 4.426 4.340 0.068 0.000 0.204 419 Q C 2.169 178.030 176.000 -0.232 0.000 0.962 419 Q CA 0.677 56.248 55.803 -0.388 0.000 0.879 419 Q CB -0.013 28.215 28.738 -0.849 0.000 0.947 419 Q HN 0.481 nan 8.270 nan 0.000 0.462 420 I N 0.541 121.050 120.570 -0.102 0.000 2.361 420 I HA -0.204 4.007 4.170 0.068 0.000 0.251 420 I C 2.288 178.414 176.117 0.016 0.000 1.133 420 I CA 1.510 62.829 61.300 0.032 0.000 1.413 420 I CB -1.012 37.015 38.000 0.046 0.000 1.073 420 I HN 0.216 nan 8.210 nan 0.000 0.424 421 S N 0.095 115.784 115.700 -0.018 0.000 2.468 421 S HA -0.014 4.497 4.470 0.068 0.000 0.226 421 S C 2.114 176.709 174.600 -0.008 0.000 1.051 421 S CA -0.115 58.084 58.200 -0.001 0.000 0.943 421 S CB -0.192 63.008 63.200 0.001 0.000 0.810 421 S HN 0.282 nan 8.310 nan 0.000 0.509 422 R N 1.229 121.705 120.500 -0.039 0.000 2.070 422 R HA 0.106 4.487 4.340 0.068 0.000 0.233 422 R C 1.206 177.492 176.300 -0.023 0.000 1.137 422 R CA 1.600 57.678 56.100 -0.036 0.000 0.945 422 R CB -0.374 29.886 30.300 -0.068 0.000 0.845 422 R HN 0.469 nan 8.270 nan 0.000 0.430 423 L N -0.272 120.930 121.223 -0.035 0.000 2.791 423 L HA 0.346 4.727 4.340 0.068 0.000 0.239 423 L C 0.878 177.776 176.870 0.046 0.000 1.203 423 L CA 0.250 55.090 54.840 -0.000 0.000 1.002 423 L CB 0.885 42.943 42.059 -0.002 0.000 1.295 423 L HN 0.557 nan 8.230 nan 0.000 0.504 424 G N -0.123 108.704 108.800 0.045 0.000 2.155 424 G HA2 -0.107 3.894 3.960 0.068 0.000 0.257 424 G HA3 -0.107 3.894 3.960 0.068 0.000 0.257 424 G C 0.439 175.388 174.900 0.081 0.000 0.983 424 G CA 0.063 45.197 45.100 0.057 0.000 0.676 424 G HN 0.841 nan 8.290 nan 0.000 0.528 425 G N -1.825 107.046 108.800 0.119 0.000 2.337 425 G HA2 0.620 4.621 3.960 0.068 0.000 0.298 425 G HA3 0.620 4.621 3.960 0.068 0.000 0.298 425 G C -2.115 172.914 174.900 0.216 0.000 1.335 425 G CA 0.328 45.508 45.100 0.133 0.000 0.875 425 G HN 0.419 nan 8.290 nan 0.000 0.579 426 P HA 0.092 nan 4.420 nan 0.000 0.249 426 P C 0.227 177.495 177.300 -0.053 0.000 1.229 426 P CA 0.346 63.522 63.100 0.127 0.000 0.788 426 P CB 0.223 31.972 31.700 0.082 0.000 1.072 427 N N 0.531 119.221 118.700 -0.016 0.000 2.378 427 N HA 0.067 4.848 4.740 0.068 0.000 0.243 427 N C 0.950 176.323 175.510 -0.229 0.000 1.137 427 N CA -0.164 52.809 53.050 -0.129 0.000 0.862 427 N CB -0.528 37.914 38.487 -0.075 0.000 1.116 427 N HN 0.278 nan 8.380 nan 0.000 0.499 428 F N 0.448 120.406 119.950 0.013 0.000 2.451 428 F HA -0.039 4.519 4.527 0.052 0.000 0.299 428 F C 2.210 177.966 175.800 -0.072 0.000 1.101 428 F CA 0.577 58.550 58.000 -0.044 0.000 1.436 428 F CB -0.691 38.294 39.000 -0.024 0.000 1.074 428 F HN 0.164 nan 8.300 nan 0.000 0.553 429 H N 0.425 119.190 119.070 -0.508 0.000 2.547 429 H HA 0.111 4.708 4.556 0.068 0.000 0.272 429 H C 0.829 176.019 175.328 -0.230 0.000 0.989 429 H CA 1.160 56.998 56.048 -0.349 0.000 1.214 429 H CB -0.723 28.719 29.762 -0.534 0.000 1.389 429 H HN 0.509 nan 8.280 nan 0.000 0.577 430 E N 0.959 120.723 120.200 -0.726 0.000 2.478 430 E HA 0.177 4.568 4.350 0.068 0.000 0.194 430 E C 0.305 176.779 176.600 -0.210 0.000 1.045 430 E CA -0.245 55.888 56.400 -0.446 0.000 0.868 430 E CB 0.541 30.009 29.700 -0.387 0.000 0.885 430 E HN 0.423 nan 8.360 nan 0.000 0.505 431 I N 2.625 123.097 120.570 -0.164 0.000 2.598 431 I HA -0.034 4.177 4.170 0.068 0.000 0.284 431 I C -1.541 174.507 176.117 -0.114 0.000 1.140 431 I CA -1.612 59.619 61.300 -0.115 0.000 1.420 431 I CB 0.676 38.621 38.000 -0.093 0.000 1.387 431 I HN -0.200 nan 8.210 nan 0.000 0.553 432 P HA -0.260 nan 4.420 nan 0.000 0.217 432 P C 1.738 178.958 177.300 -0.134 0.000 1.162 432 P CA 1.356 64.392 63.100 -0.106 0.000 0.901 432 P CB 0.163 31.808 31.700 -0.091 0.000 0.793 433 I N -0.750 119.712 120.570 -0.181 0.000 2.335 433 I HA -0.211 4.000 4.170 0.068 0.000 0.251 433 I C 1.351 177.380 176.117 -0.146 0.000 1.129 433 I CA 1.750 62.893 61.300 -0.262 0.000 1.402 433 I CB -0.647 37.078 38.000 -0.458 0.000 1.069 433 I HN -0.091 nan 8.210 nan 0.000 0.424 434 N N 0.578 119.209 118.700 -0.114 0.000 2.412 434 N HA 0.046 4.827 4.740 0.068 0.000 0.184 434 N C 0.212 175.724 175.510 0.003 0.000 1.101 434 N CA 0.171 53.184 53.050 -0.061 0.000 0.881 434 N CB -0.070 38.395 38.487 -0.036 0.000 0.969 434 N HN 0.372 nan 8.380 nan 0.000 0.459 435 R N 1.723 122.221 120.500 -0.004 0.000 2.489 435 R HA 0.143 4.524 4.340 0.068 0.000 0.287 435 R C -2.248 174.108 176.300 0.094 0.000 1.053 435 R CA -1.219 54.883 56.100 0.003 0.000 1.036 435 R CB -0.152 30.131 30.300 -0.028 0.000 0.966 435 R HN 0.017 nan 8.270 nan 0.000 0.432 436 P HA -0.039 nan 4.420 nan 0.000 0.267 436 P C 0.560 177.927 177.300 0.111 0.000 1.200 436 P CA 0.177 63.346 63.100 0.116 0.000 0.772 436 P CB 0.653 32.382 31.700 0.048 0.000 0.855 437 T N -2.353 112.280 114.554 0.133 0.000 3.060 437 T HA 0.080 4.471 4.350 0.068 0.000 0.249 437 T C 0.856 175.599 174.700 0.073 0.000 1.079 437 T CA -0.050 62.087 62.100 0.062 0.000 1.013 437 T CB -1.006 67.876 68.868 0.025 0.000 0.975 437 T HN 0.566 nan 8.240 nan 0.000 0.518 438 C N 1.056 120.412 119.300 0.093 0.000 2.345 438 C HA 0.803 5.304 4.460 0.068 0.000 0.369 438 C C -2.429 172.616 174.990 0.091 0.000 1.273 438 C CA -2.462 56.608 59.018 0.087 0.000 2.310 438 C CB 0.087 27.882 27.740 0.091 0.000 2.219 438 C HN 0.171 nan 8.230 nan 0.000 0.587 439 P HA 0.341 nan 4.420 nan 0.000 0.272 439 P C -1.252 176.110 177.300 0.102 0.000 1.223 439 P CA 0.370 63.532 63.100 0.103 0.000 0.784 439 P CB 0.044 31.854 31.700 0.184 0.000 0.923 440 Y N 0.302 120.468 120.300 -0.224 0.000 2.401 440 Y HA 0.636 5.227 4.550 0.068 0.000 0.330 440 Y C -1.672 173.890 175.900 -0.564 0.000 1.071 440 Y CA -0.962 56.998 58.100 -0.234 0.000 1.049 440 Y CB 0.958 39.314 38.460 -0.174 0.000 1.239 440 Y HN 0.460 nan 8.280 nan 0.000 0.437 441 H N 3.987 122.939 119.070 -0.195 0.000 2.947 441 H HA 0.606 5.203 4.556 0.069 0.000 0.354 441 H C -1.092 174.114 175.328 -0.204 0.000 1.085 441 H CA -0.690 55.169 56.048 -0.315 0.000 1.253 441 H CB 1.702 31.320 29.762 -0.241 0.000 1.757 441 H HN 0.892 nan 8.280 nan 0.000 0.523 442 N N 0.431 119.013 118.700 -0.197 0.000 3.449 442 N HA 0.157 4.938 4.740 0.068 0.000 0.312 442 N C -1.257 174.004 175.510 -0.416 0.000 1.557 442 N CA -0.890 52.014 53.050 -0.244 0.000 0.864 442 N CB 0.562 39.058 38.487 0.015 0.000 1.799 442 N HN 0.286 nan 8.380 nan 0.000 0.554 443 F N -0.250 119.740 119.950 0.066 0.000 2.641 443 F HA 0.366 4.930 4.527 0.062 0.000 0.302 443 F C 0.447 176.289 175.800 0.069 0.000 1.098 443 F CA -0.305 57.730 58.000 0.058 0.000 1.318 443 F CB 0.075 39.105 39.000 0.050 0.000 1.035 443 F HN 0.159 nan 8.300 nan 0.000 0.551 444 Q N 1.731 121.633 119.800 0.171 0.000 2.337 444 Q HA 0.317 4.698 4.340 0.068 0.000 0.270 444 Q C 0.072 176.144 176.000 0.120 0.000 1.002 444 Q CA 0.177 56.060 55.803 0.133 0.000 0.888 444 Q CB 0.904 29.696 28.738 0.090 0.000 1.222 444 Q HN 0.075 nan 8.270 nan 0.000 0.400 445 R N 1.734 122.299 120.500 0.109 0.000 2.836 445 R HA 0.356 4.737 4.340 0.068 0.000 0.269 445 R C -0.564 175.783 176.300 0.078 0.000 1.010 445 R CA -0.644 55.512 56.100 0.093 0.000 0.930 445 R CB 1.167 31.526 30.300 0.098 0.000 1.218 445 R HN 0.704 nan 8.270 nan 0.000 0.473 446 D N -0.199 120.240 120.400 0.065 0.000 3.369 446 D HA -0.165 4.516 4.640 0.068 0.000 0.217 446 D C 0.387 176.720 176.300 0.055 0.000 1.532 446 D CA 1.949 55.980 54.000 0.052 0.000 1.126 446 D CB -1.075 39.755 40.800 0.049 0.000 0.683 446 D HN 0.889 nan 8.370 nan 0.000 0.827 447 G N -1.459 107.372 108.800 0.051 0.000 2.712 447 G HA2 0.202 4.203 3.960 0.068 0.000 0.686 447 G HA3 0.202 4.203 3.960 0.068 0.000 0.686 447 G C -0.282 174.652 174.900 0.057 0.000 1.321 447 G CA 0.034 45.168 45.100 0.057 0.000 0.813 447 G HN 0.809 nan 8.290 nan 0.000 0.599 448 M N 0.989 120.630 119.600 0.069 0.000 2.250 448 M HA 0.450 4.971 4.480 0.068 0.000 0.337 448 M C 1.142 177.521 176.300 0.131 0.000 1.161 448 M CA 1.336 56.686 55.300 0.083 0.000 1.088 448 M CB -0.564 32.088 32.600 0.087 0.000 1.639 448 M HN 1.550 nan 8.290 nan 0.000 0.447 449 H N 0.803 119.879 119.070 0.009 0.000 2.626 449 H HA -0.195 4.401 4.556 0.066 0.000 0.317 449 H C -0.661 174.659 175.328 -0.013 0.000 1.140 449 H CA 0.647 56.695 56.048 0.001 0.000 1.134 449 H CB -0.655 29.110 29.762 0.004 0.000 1.486 449 H HN 0.610 nan 8.280 nan 0.000 0.417 450 R N 1.264 121.785 120.500 0.035 0.000 2.446 450 R HA 0.012 4.393 4.340 0.068 0.000 0.314 450 R C 0.963 177.262 176.300 -0.003 0.000 1.003 450 R CA 0.209 56.322 56.100 0.022 0.000 1.018 450 R CB 0.208 30.518 30.300 0.016 0.000 0.945 450 R HN 0.410 nan 8.270 nan 0.000 0.419 451 M N 2.556 122.167 119.600 0.018 0.000 2.412 451 M HA 0.205 4.726 4.480 0.068 0.000 0.263 451 M C 1.011 177.309 176.300 -0.004 0.000 1.122 451 M CA 1.026 56.332 55.300 0.009 0.000 1.179 451 M CB -0.912 31.701 32.600 0.021 0.000 1.335 451 M HN 0.681 nan 8.290 nan 0.000 0.465 452 G N 1.972 110.775 108.800 0.004 0.000 2.380 452 G HA2 0.362 4.363 3.960 0.068 0.000 0.242 452 G HA3 0.362 4.363 3.960 0.068 0.000 0.242 452 G C -0.375 174.522 174.900 -0.005 0.000 1.298 452 G CA -0.335 44.766 45.100 0.000 0.000 0.878 452 G HN 0.316 nan 8.290 nan 0.000 0.542 453 I N 2.616 123.175 120.570 -0.017 0.000 2.328 453 I HA 0.135 4.346 4.170 0.068 0.000 0.287 453 I C -0.407 175.700 176.117 -0.017 0.000 1.012 453 I CA -0.593 60.699 61.300 -0.013 0.000 1.195 453 I CB 1.294 39.285 38.000 -0.014 0.000 1.350 453 I HN 0.357 nan 8.210 nan 0.000 0.464 454 D N 4.674 125.069 120.400 -0.008 0.000 2.308 454 D HA 0.112 4.793 4.640 0.068 0.000 0.251 454 D C 1.110 177.409 176.300 -0.002 0.000 1.127 454 D CA 0.137 54.130 54.000 -0.013 0.000 0.876 454 D CB 2.068 42.866 40.800 -0.005 0.000 1.176 454 D HN 0.579 nan 8.370 nan 0.000 0.446 455 T N -0.905 113.643 114.554 -0.010 0.000 3.040 455 T HA -0.050 4.341 4.350 0.068 0.000 0.250 455 T C 0.819 175.523 174.700 0.007 0.000 1.058 455 T CA -0.485 61.613 62.100 -0.003 0.000 0.988 455 T CB 0.160 69.019 68.868 -0.015 0.000 0.993 455 T HN 0.111 nan 8.240 nan 0.000 0.519 456 N N 3.351 122.056 118.700 0.008 0.000 2.447 456 N HA 0.121 4.902 4.740 0.068 0.000 0.263 456 N C -1.636 173.910 175.510 0.059 0.000 1.226 456 N CA -1.690 51.377 53.050 0.029 0.000 0.906 456 N CB 1.480 39.979 38.487 0.021 0.000 1.060 456 N HN 0.052 nan 8.380 nan 0.000 0.468 457 P HA -0.026 nan 4.420 nan 0.000 0.219 457 P C -0.450 176.909 177.300 0.098 0.000 1.146 457 P CA 0.917 64.060 63.100 0.072 0.000 0.808 457 P CB 0.171 31.910 31.700 0.064 0.000 0.779 458 A N 0.708 123.576 122.820 0.080 0.000 2.303 458 A HA 0.427 4.788 4.320 0.068 0.000 0.317 458 A C 0.496 178.183 177.584 0.171 0.000 1.149 458 A CA -0.614 51.427 52.037 0.007 0.000 0.822 458 A CB 0.016 18.834 19.000 -0.304 0.000 1.131 458 A HN 0.297 nan 8.150 nan 0.000 0.493 459 N N -0.317 118.519 118.700 0.228 0.000 2.365 459 N HA 0.355 5.136 4.740 0.068 0.000 0.257 459 N C -1.017 174.672 175.510 0.299 0.000 1.287 459 N CA -0.356 52.917 53.050 0.373 0.000 0.882 459 N CB 0.458 39.111 38.487 0.277 0.000 1.250 459 N HN 0.657 nan 8.380 nan 0.000 0.507 460 Y N -0.894 119.289 120.300 -0.196 0.000 2.609 460 Y HA 0.697 5.286 4.550 0.064 0.000 0.336 460 Y C -1.503 173.799 175.900 -0.998 0.000 1.129 460 Y CA -1.407 56.393 58.100 -0.500 0.000 1.040 460 Y CB 0.946 39.273 38.460 -0.221 0.000 1.310 460 Y HN 0.084 nan 8.280 nan 0.000 0.460 461 E N 1.050 120.808 120.200 -0.737 0.000 2.331 461 E HA 0.673 5.064 4.350 0.068 0.000 0.275 461 E C -3.191 173.315 176.600 -0.157 0.000 0.895 461 E CA -1.963 54.096 56.400 -0.568 0.000 0.753 461 E CB 1.766 31.064 29.700 -0.669 0.000 1.216 461 E HN 0.573 nan 8.360 nan 0.000 0.434 462 P HA 0.298 nan 4.420 nan 0.000 0.279 462 P C -1.291 175.978 177.300 -0.051 0.000 1.239 462 P CA -0.468 62.576 63.100 -0.095 0.000 0.789 462 P CB 0.583 32.259 31.700 -0.040 0.000 0.933 463 N N -1.176 117.415 118.700 -0.182 0.000 2.265 463 N HA 0.373 5.154 4.740 0.068 0.000 0.300 463 N C 0.384 175.858 175.510 -0.060 0.000 1.148 463 N CA -0.774 52.187 53.050 -0.149 0.000 0.772 463 N CB 1.511 39.654 38.487 -0.573 0.000 1.434 463 N HN 0.205 nan 8.380 nan 0.000 0.481 464 S N 0.462 116.172 115.700 0.016 0.000 2.497 464 S HA -0.002 4.509 4.470 0.068 0.000 0.218 464 S C 1.538 176.153 174.600 0.025 0.000 1.023 464 S CA -0.048 58.159 58.200 0.012 0.000 0.913 464 S CB -0.762 62.455 63.200 0.028 0.000 0.800 464 S HN 0.708 nan 8.310 nan 0.000 0.505 465 I N -0.709 119.885 120.570 0.039 0.000 2.830 465 I HA 0.215 4.426 4.170 0.068 0.000 0.263 465 I C 1.415 177.564 176.117 0.053 0.000 1.230 465 I CA 1.309 62.641 61.300 0.053 0.000 1.480 465 I CB -0.387 37.662 38.000 0.082 0.000 1.095 465 I HN 0.184 nan 8.210 nan 0.000 0.455 466 N N 1.016 119.746 118.700 0.048 0.000 2.235 466 N HA 0.024 4.805 4.740 0.068 0.000 0.231 466 N C -0.048 175.566 175.510 0.173 0.000 1.177 466 N CA 0.033 53.150 53.050 0.112 0.000 0.874 466 N CB 0.071 38.639 38.487 0.135 0.000 1.097 466 N HN 0.222 nan 8.380 nan 0.000 0.518 467 D N 0.573 121.021 120.400 0.080 0.000 2.837 467 D HA -0.249 4.432 4.640 0.068 0.000 0.230 467 D C -0.157 176.041 176.300 -0.170 0.000 1.152 467 D CA 0.987 54.995 54.000 0.012 0.000 0.736 467 D CB -1.439 39.432 40.800 0.118 0.000 1.084 467 D HN 0.433 nan 8.370 nan 0.000 0.429 468 N N -1.736 116.896 118.700 -0.114 0.000 2.800 468 N HA -0.242 4.539 4.740 0.068 0.000 0.250 468 N C -0.797 174.654 175.510 -0.098 0.000 1.078 468 N CA 1.420 54.378 53.050 -0.153 0.000 0.804 468 N CB -1.286 37.056 38.487 -0.242 0.000 1.135 468 N HN 0.538 nan 8.380 nan 0.000 0.565 469 W N 0.922 122.270 121.300 0.079 0.000 2.375 469 W HA 0.470 5.169 4.660 0.066 0.000 0.336 469 W C -1.657 174.904 176.519 0.070 0.000 1.160 469 W CA -1.615 55.762 57.345 0.053 0.000 1.266 469 W CB 0.506 29.948 29.460 -0.030 0.000 1.195 469 W HN -0.049 nan 8.180 nan 0.000 0.599 470 P HA 0.206 nan 4.420 nan 0.000 0.274 470 P C -0.713 176.743 177.300 0.261 0.000 1.231 470 P CA -0.192 63.054 63.100 0.244 0.000 0.790 470 P CB 0.934 32.632 31.700 -0.003 0.000 0.951 471 R N 0.894 121.543 120.500 0.247 0.000 2.732 471 R HA 0.366 4.747 4.340 0.068 0.000 0.278 471 R C 0.241 176.590 176.300 0.082 0.000 0.976 471 R CA -0.912 55.214 56.100 0.043 0.000 0.963 471 R CB 1.156 31.292 30.300 -0.274 0.000 1.150 471 R HN 0.483 nan 8.270 nan 0.000 0.478 472 E N 0.886 121.118 120.200 0.054 0.000 2.436 472 E HA 0.008 4.398 4.350 0.068 0.000 0.262 472 E C -0.530 176.098 176.600 0.047 0.000 1.063 472 E CA 0.781 57.217 56.400 0.060 0.000 0.944 472 E CB 0.582 30.305 29.700 0.038 0.000 0.950 472 E HN 0.358 nan 8.360 nan 0.000 0.444 473 T N 3.636 118.227 114.554 0.061 0.000 2.937 473 T HA 0.308 4.699 4.350 0.068 0.000 0.297 473 T C -2.470 172.257 174.700 0.045 0.000 0.991 473 T CA -1.528 60.606 62.100 0.055 0.000 0.990 473 T CB 1.425 70.336 68.868 0.073 0.000 0.991 473 T HN 0.252 nan 8.240 nan 0.000 0.440 474 P HA 0.205 nan 4.420 nan 0.000 0.268 474 P C -2.480 174.829 177.300 0.015 0.000 1.208 474 P CA -1.177 61.934 63.100 0.018 0.000 0.777 474 P CB -0.431 31.274 31.700 0.009 0.000 0.875 475 P HA 0.309 nan 4.420 nan 0.000 0.272 475 P C 0.039 177.328 177.300 -0.019 0.000 1.230 475 P CA 0.352 63.440 63.100 -0.021 0.000 0.788 475 P CB 0.694 32.362 31.700 -0.054 0.000 0.949 476 G N 0.711 109.497 108.800 -0.023 0.000 2.428 476 G HA2 0.374 4.375 3.960 0.068 0.000 0.304 476 G HA3 0.374 4.375 3.960 0.068 0.000 0.304 476 G C -2.590 172.297 174.900 -0.020 0.000 1.303 476 G CA -0.688 44.402 45.100 -0.017 0.000 0.825 476 G HN 0.132 nan 8.290 nan 0.000 0.484 477 P HA 0.104 nan 4.420 nan 0.000 0.219 477 P C 0.120 177.415 177.300 -0.008 0.000 1.150 477 P CA 1.282 64.372 63.100 -0.016 0.000 0.814 477 P CB 0.122 31.815 31.700 -0.011 0.000 0.787 478 K N -1.722 118.680 120.400 0.003 0.000 2.523 478 K HA 0.327 4.688 4.320 0.068 0.000 0.257 478 K C -0.356 176.260 176.600 0.026 0.000 0.932 478 K CA -0.801 55.495 56.287 0.015 0.000 0.812 478 K CB 1.654 34.164 32.500 0.017 0.000 1.326 478 K HN -0.280 nan 8.250 nan 0.000 0.433 479 R N -0.272 120.250 120.500 0.038 0.000 3.641 479 R HA -0.135 4.246 4.340 0.068 0.000 0.286 479 R C 0.192 176.521 176.300 0.048 0.000 1.153 479 R CA 1.276 57.406 56.100 0.049 0.000 0.775 479 R CB -2.296 28.033 30.300 0.047 0.000 1.215 479 R HN 1.018 nan 8.270 nan 0.000 0.474 480 G N -0.956 107.867 108.800 0.040 0.000 2.521 480 G HA2 0.649 4.650 3.960 0.068 0.000 0.323 480 G HA3 0.649 4.650 3.960 0.068 0.000 0.323 480 G C 0.298 175.231 174.900 0.056 0.000 1.211 480 G CA 0.047 45.169 45.100 0.037 0.000 0.979 480 G HN 0.249 nan 8.290 nan 0.000 0.490 481 G N -1.366 107.469 108.800 0.059 0.000 2.539 481 G HA2 0.415 4.416 3.960 0.068 0.000 0.258 481 G HA3 0.415 4.416 3.960 0.068 0.000 0.258 481 G C -0.732 174.229 174.900 0.103 0.000 1.202 481 G CA -0.506 44.651 45.100 0.096 0.000 0.851 481 G HN 0.444 nan 8.290 nan 0.000 0.556 482 F N 0.238 120.204 119.950 0.027 0.000 2.443 482 F HA 0.431 5.002 4.527 0.074 0.000 0.353 482 F C 0.471 176.286 175.800 0.025 0.000 1.101 482 F CA -0.316 57.695 58.000 0.019 0.000 1.226 482 F CB 1.060 40.072 39.000 0.021 0.000 1.140 482 F HN 0.442 nan 8.300 nan 0.000 0.557 483 E N 4.085 123.970 120.200 -0.524 0.000 2.260 483 E HA 0.297 4.688 4.350 0.068 0.000 0.266 483 E C -1.238 175.091 176.600 -0.451 0.000 0.887 483 E CA -0.712 55.534 56.400 -0.257 0.000 0.777 483 E CB 1.429 31.037 29.700 -0.154 0.000 1.205 483 E HN 0.636 nan 8.360 nan 0.000 0.414 484 S N 2.687 118.354 115.700 -0.055 0.000 2.562 484 S HA -0.013 4.498 4.470 0.068 0.000 0.281 484 S C -0.471 174.135 174.600 0.011 0.000 1.333 484 S CA -0.333 57.898 58.200 0.053 0.000 1.052 484 S CB 0.119 63.459 63.200 0.233 0.000 0.884 484 S HN 0.486 nan 8.310 nan 0.000 0.506 485 Y N 2.554 122.799 120.300 -0.092 0.000 2.717 485 Y HA -0.026 4.564 4.550 0.067 0.000 0.330 485 Y C 0.868 176.753 175.900 -0.025 0.000 1.217 485 Y CA 0.022 58.074 58.100 -0.080 0.000 1.506 485 Y CB 0.102 38.511 38.460 -0.085 0.000 1.268 485 Y HN 0.592 nan 8.280 nan 0.000 0.561 486 Q N 5.186 124.648 119.800 -0.563 0.000 3.223 486 Q HA -0.010 4.371 4.340 0.068 0.000 0.299 486 Q C -0.136 175.550 176.000 -0.524 0.000 1.385 486 Q CA 0.039 55.589 55.803 -0.422 0.000 0.942 486 Q CB -0.290 28.280 28.738 -0.281 0.000 1.748 486 Q HN 0.651 nan 8.270 nan 0.000 0.523 487 E N 1.375 121.337 120.200 -0.397 0.000 2.413 487 E HA -0.026 4.365 4.350 0.068 0.000 0.263 487 E C -0.221 176.330 176.600 -0.081 0.000 1.015 487 E CA -0.350 55.945 56.400 -0.175 0.000 0.916 487 E CB 0.639 30.377 29.700 0.063 0.000 0.947 487 E HN 0.176 nan 8.360 nan 0.000 0.440 488 R N 3.030 123.508 120.500 -0.036 0.000 2.389 488 R HA 0.229 4.610 4.340 0.068 0.000 0.295 488 R C -1.452 174.865 176.300 0.029 0.000 1.075 488 R CA -0.280 55.816 56.100 -0.007 0.000 1.005 488 R CB 0.832 31.137 30.300 0.008 0.000 0.987 488 R HN 0.297 nan 8.270 nan 0.000 0.452 489 V N 4.791 124.716 119.914 0.019 0.000 2.448 489 V HA 0.439 4.600 4.120 0.068 0.000 0.295 489 V C -0.524 175.581 176.094 0.018 0.000 1.025 489 V CA -0.551 61.765 62.300 0.027 0.000 0.859 489 V CB 1.614 33.449 31.823 0.021 0.000 0.988 489 V HN 0.859 nan 8.190 nan 0.000 0.431 490 E N 2.456 122.669 120.200 0.021 0.000 2.311 490 E HA 0.682 5.073 4.350 0.068 0.000 0.281 490 E C -0.179 176.426 176.600 0.008 0.000 0.905 490 E CA -0.334 56.073 56.400 0.011 0.000 0.778 490 E CB 2.363 32.069 29.700 0.011 0.000 1.240 490 E HN 1.016 nan 8.360 nan 0.000 0.410 491 G N 2.300 111.100 108.800 -0.000 0.000 2.324 491 G HA2 0.108 4.109 3.960 0.068 0.000 0.293 491 G HA3 0.108 4.109 3.960 0.068 0.000 0.293 491 G C -1.554 173.339 174.900 -0.010 0.000 1.297 491 G CA -1.007 44.089 45.100 -0.006 0.000 0.853 491 G HN 0.379 nan 8.290 nan 0.000 0.535 492 N N -0.195 118.496 118.700 -0.015 0.000 2.485 492 N HA 0.495 5.276 4.740 0.068 0.000 0.280 492 N C -0.349 175.147 175.510 -0.022 0.000 1.205 492 N CA -0.706 52.333 53.050 -0.018 0.000 0.959 492 N CB 1.105 39.581 38.487 -0.018 0.000 1.206 492 N HN 0.451 nan 8.380 nan 0.000 0.545 493 K N 1.059 121.445 120.400 -0.023 0.000 2.351 493 K HA 0.181 4.542 4.320 0.068 0.000 0.287 493 K C -0.798 175.781 176.600 -0.036 0.000 1.068 493 K CA -0.133 56.136 56.287 -0.029 0.000 0.998 493 K CB -0.307 32.177 32.500 -0.027 0.000 0.968 493 K HN 0.346 nan 8.250 nan 0.000 0.464 494 V N 0.341 120.229 119.914 -0.044 0.000 2.789 494 V HA 0.461 4.622 4.120 0.068 0.000 0.311 494 V C -0.415 175.639 176.094 -0.067 0.000 1.073 494 V CA -1.312 60.957 62.300 -0.051 0.000 0.921 494 V CB 1.977 33.772 31.823 -0.047 0.000 1.009 494 V HN 0.596 nan 8.190 nan 0.000 0.426 495 R N 2.559 123.015 120.500 -0.073 0.000 2.408 495 R HA 0.556 4.937 4.340 0.068 0.000 0.308 495 R C -0.409 175.842 176.300 -0.081 0.000 1.210 495 R CA -0.051 55.992 56.100 -0.094 0.000 1.115 495 R CB 0.575 30.807 30.300 -0.114 0.000 1.127 495 R HN 0.936 nan 8.270 nan 0.000 0.523 496 E N 1.942 122.091 120.200 -0.085 0.000 2.321 496 E HA 0.207 4.598 4.350 0.068 0.000 0.278 496 E C -1.270 175.263 176.600 -0.111 0.000 0.902 496 E CA -1.035 55.318 56.400 -0.079 0.000 0.758 496 E CB 1.576 31.235 29.700 -0.068 0.000 1.213 496 E HN 0.115 nan 8.360 nan 0.000 0.426 497 R N 1.793 122.233 120.500 -0.099 0.000 2.389 497 R HA 0.182 4.563 4.340 0.068 0.000 0.295 497 R C -0.506 175.676 176.300 -0.198 0.000 1.075 497 R CA 0.169 56.177 56.100 -0.154 0.000 1.005 497 R CB 1.007 31.274 30.300 -0.056 0.000 0.987 497 R HN 0.392 nan 8.270 nan 0.000 0.452 498 S N 5.177 120.637 115.700 -0.400 0.000 2.549 498 S HA 0.097 4.608 4.470 0.068 0.000 0.286 498 S C -1.497 173.060 174.600 -0.072 0.000 1.314 498 S CA -1.178 56.867 58.200 -0.259 0.000 1.062 498 S CB 0.634 63.603 63.200 -0.384 0.000 0.865 498 S HN 0.559 nan 8.310 nan 0.000 0.498 499 P HA -0.091 nan 4.420 nan 0.000 0.218 499 P C 1.481 178.830 177.300 0.081 0.000 1.148 499 P CA 1.204 64.324 63.100 0.033 0.000 0.822 499 P CB -0.166 31.546 31.700 0.019 0.000 0.784 500 S N -2.059 113.728 115.700 0.146 0.000 2.474 500 S HA -0.085 4.426 4.470 0.068 0.000 0.235 500 S C 1.442 176.201 174.600 0.266 0.000 0.997 500 S CA 0.709 59.025 58.200 0.193 0.000 0.949 500 S CB -1.340 62.004 63.200 0.240 0.000 0.766 500 S HN -0.045 nan 8.310 nan 0.000 0.517 501 F N 2.273 122.210 119.950 -0.022 0.000 2.789 501 F HA 0.382 4.950 4.527 0.068 0.000 0.300 501 F C 1.966 177.695 175.800 -0.118 0.000 1.132 501 F CA -0.842 57.138 58.000 -0.034 0.000 1.404 501 F CB -0.725 38.285 39.000 0.018 0.000 1.114 501 F HN 0.351 nan 8.300 nan 0.000 0.584 502 G N 0.615 109.408 108.800 -0.010 0.000 3.455 502 G HA2 0.099 4.100 3.960 0.068 0.000 0.250 502 G HA3 0.099 4.100 3.960 0.068 0.000 0.250 502 G C -0.060 174.403 174.900 -0.728 0.000 1.071 502 G CA 0.118 45.031 45.100 -0.312 0.000 1.812 502 G HN 0.045 nan 8.290 nan 0.000 0.643 503 E N 0.254 119.951 120.200 -0.839 0.000 2.260 503 E HA 0.302 4.693 4.350 0.068 0.000 0.266 503 E C -0.870 175.314 176.600 -0.693 0.000 0.887 503 E CA -0.748 55.232 56.400 -0.700 0.000 0.777 503 E CB 1.454 30.996 29.700 -0.263 0.000 1.205 503 E HN 0.241 nan 8.360 nan 0.000 0.414 504 Y N 2.694 122.774 120.300 -0.366 0.000 2.471 504 Y HA 0.195 4.786 4.550 0.068 0.000 0.249 504 Y C 0.710 176.328 175.900 -0.469 0.000 1.116 504 Y CA -0.116 57.682 58.100 -0.504 0.000 1.240 504 Y CB 0.382 38.404 38.460 -0.729 0.000 1.251 504 Y HN 0.412 nan 8.280 nan 0.000 0.527 505 Y N -1.322 119.057 120.300 0.131 0.000 2.483 505 Y HA 0.109 4.700 4.550 0.069 0.000 0.258 505 Y C 2.385 178.339 175.900 0.091 0.000 1.083 505 Y CA 0.022 58.192 58.100 0.118 0.000 1.283 505 Y CB -0.379 38.158 38.460 0.128 0.000 1.178 505 Y HN 0.067 nan 8.280 nan 0.000 0.515 506 S N -0.624 115.199 115.700 0.205 0.000 2.383 506 S HA -0.191 4.320 4.470 0.068 0.000 0.227 506 S C 1.594 176.263 174.600 0.115 0.000 1.026 506 S CA 1.473 59.775 58.200 0.170 0.000 0.981 506 S CB -0.776 62.529 63.200 0.176 0.000 0.818 506 S HN 0.554 nan 8.310 nan 0.000 0.472 507 H N 2.428 121.398 119.070 -0.167 0.000 2.363 507 H HA 0.053 4.650 4.556 0.069 0.000 0.301 507 H C -0.495 174.660 175.328 -0.287 0.000 1.074 507 H CA 1.298 57.105 56.048 -0.402 0.000 1.354 507 H CB -1.321 27.915 29.762 -0.876 0.000 1.397 507 H HN 0.419 nan 8.280 nan 0.000 0.516 508 P HA -0.194 nan 4.420 nan 0.000 0.216 508 P C 1.625 179.114 177.300 0.314 0.000 1.153 508 P CA 1.545 64.814 63.100 0.282 0.000 0.858 508 P CB -0.136 31.742 31.700 0.297 0.000 0.789 509 R N -0.247 120.384 120.500 0.218 0.000 2.092 509 R HA -0.108 4.273 4.340 0.068 0.000 0.231 509 R C 2.125 178.552 176.300 0.212 0.000 1.119 509 R CA 1.066 57.294 56.100 0.214 0.000 0.970 509 R CB -1.006 29.381 30.300 0.145 0.000 0.864 509 R HN 0.093 nan 8.270 nan 0.000 0.440 510 L N 0.476 121.775 121.223 0.127 0.000 2.046 510 L HA -0.095 4.286 4.340 0.068 0.000 0.208 510 L C 1.997 178.925 176.870 0.097 0.000 1.077 510 L CA 1.665 56.543 54.840 0.063 0.000 0.747 510 L CB -0.710 41.318 42.059 -0.052 0.000 0.896 510 L HN 0.223 nan 8.230 nan 0.000 0.432 511 F N -0.588 119.407 119.950 0.074 0.000 2.102 511 F HA -0.247 4.321 4.527 0.069 0.000 0.298 511 F C 2.308 178.128 175.800 0.033 0.000 1.105 511 F CA 2.093 60.117 58.000 0.039 0.000 1.239 511 F CB -0.724 38.345 39.000 0.116 0.000 0.991 511 F HN 0.390 nan 8.300 nan 0.000 0.474 512 W N 1.254 122.501 121.300 -0.087 0.000 2.335 512 W HA -0.240 4.461 4.660 0.068 0.000 0.311 512 W C 1.727 178.102 176.519 -0.240 0.000 1.213 512 W CA 1.797 59.044 57.345 -0.163 0.000 1.274 512 W CB -0.695 28.775 29.460 0.017 0.000 1.148 512 W HN 0.075 nan 8.180 nan 0.000 0.498 513 L N 1.037 122.203 121.223 -0.096 0.000 2.362 513 L HA -0.147 4.234 4.340 0.068 0.000 0.219 513 L C 2.346 179.031 176.870 -0.308 0.000 1.134 513 L CA 0.993 55.700 54.840 -0.222 0.000 0.807 513 L CB -0.627 41.423 42.059 -0.014 0.000 0.927 513 L HN -0.143 nan 8.230 nan 0.000 0.447 514 S N -1.439 114.057 115.700 -0.339 0.000 2.558 514 S HA 0.048 4.559 4.470 0.068 0.000 0.217 514 S C 0.716 175.040 174.600 -0.461 0.000 0.975 514 S CA 0.070 58.068 58.200 -0.336 0.000 0.912 514 S CB 0.040 63.072 63.200 -0.280 0.000 0.776 514 S HN 0.297 nan 8.310 nan 0.000 0.526 515 Q N 2.241 121.661 119.800 -0.633 0.000 2.306 515 Q HA 0.256 4.637 4.340 0.068 0.000 0.241 515 Q C 0.655 176.280 176.000 -0.626 0.000 0.948 515 Q CA -0.072 55.325 55.803 -0.677 0.000 0.886 515 Q CB 0.344 28.608 28.738 -0.789 0.000 1.227 515 Q HN 0.426 nan 8.270 nan 0.000 0.457 516 T N -1.610 112.542 114.554 -0.670 0.000 2.748 516 T HA 0.129 4.520 4.350 0.068 0.000 0.304 516 T C -1.705 172.553 174.700 -0.736 0.000 1.041 516 T CA -1.244 60.438 62.100 -0.695 0.000 1.033 516 T CB 0.247 68.541 68.868 -0.957 0.000 0.995 516 T HN 0.237 nan 8.240 nan 0.000 0.536 517 P HA -0.039 nan 4.420 nan 0.000 0.215 517 P C 1.453 178.527 177.300 -0.376 0.000 1.153 517 P CA 1.092 63.968 63.100 -0.374 0.000 0.853 517 P CB -0.282 31.315 31.700 -0.171 0.000 0.788 518 F N 0.183 119.934 119.950 -0.332 0.000 2.234 518 F HA 0.007 4.575 4.527 0.068 0.000 0.299 518 F C 1.785 177.216 175.800 -0.615 0.000 1.087 518 F CA 0.926 58.655 58.000 -0.451 0.000 1.340 518 F CB -1.633 37.095 39.000 -0.453 0.000 1.031 518 F HN -0.091 nan 8.300 nan 0.000 0.500 519 E N 0.473 120.010 120.200 -1.105 0.000 2.106 519 E HA -0.201 4.190 4.350 0.068 0.000 0.192 519 E C 2.217 178.606 176.600 -0.352 0.000 0.984 519 E CA 1.339 57.366 56.400 -0.622 0.000 0.806 519 E CB -0.267 29.055 29.700 -0.630 0.000 0.750 519 E HN 0.631 nan 8.360 nan 0.000 0.458 520 Q N 0.274 119.792 119.800 -0.470 0.000 2.084 520 Q HA -0.166 4.215 4.340 0.068 0.000 0.202 520 Q C 2.294 178.302 176.000 0.014 0.000 0.978 520 Q CA 1.001 56.561 55.803 -0.405 0.000 0.844 520 Q CB -0.139 28.093 28.738 -0.843 0.000 0.898 520 Q HN 0.137 nan 8.270 nan 0.000 0.426 521 R N 0.265 120.741 120.500 -0.039 0.000 2.075 521 R HA -0.158 4.223 4.340 0.068 0.000 0.232 521 R C 1.679 178.145 176.300 0.277 0.000 1.126 521 R CA 1.516 57.693 56.100 0.127 0.000 0.963 521 R CB -0.177 30.180 30.300 0.094 0.000 0.858 521 R HN 0.498 nan 8.270 nan 0.000 0.435 522 H N -0.262 118.894 119.070 0.143 0.000 2.387 522 H HA -0.079 4.518 4.556 0.068 0.000 0.299 522 H C 2.228 177.667 175.328 0.184 0.000 1.090 522 H CA 1.359 57.509 56.048 0.169 0.000 1.332 522 H CB 0.036 29.904 29.762 0.177 0.000 1.386 522 H HN 0.201 nan 8.280 nan 0.000 0.516 523 I N 0.091 120.866 120.570 0.342 0.000 2.179 523 I HA -0.261 3.950 4.170 0.068 0.000 0.242 523 I C 2.343 178.749 176.117 0.481 0.000 1.088 523 I CA 0.766 62.307 61.300 0.401 0.000 1.357 523 I CB -0.158 38.163 38.000 0.536 0.000 1.051 523 I HN 0.071 nan 8.210 nan 0.000 0.409 524 V N 0.909 121.097 119.914 0.457 0.000 2.287 524 V HA -0.337 3.824 4.120 0.068 0.000 0.248 524 V C 2.062 178.338 176.094 0.305 0.000 1.053 524 V CA 2.201 64.724 62.300 0.371 0.000 1.027 524 V CB -0.672 31.326 31.823 0.292 0.000 0.646 524 V HN 0.432 nan 8.190 nan 0.000 0.447 525 D N 0.271 120.829 120.400 0.264 0.000 2.178 525 D HA -0.096 4.585 4.640 0.068 0.000 0.201 525 D C 2.149 178.535 176.300 0.143 0.000 0.980 525 D CA 1.499 55.623 54.000 0.207 0.000 0.842 525 D CB -0.589 40.334 40.800 0.205 0.000 0.948 525 D HN 0.488 nan 8.370 nan 0.000 0.472 526 G N 0.358 109.218 108.800 0.100 0.000 2.453 526 G HA2 -0.264 3.737 3.960 0.068 0.000 0.215 526 G HA3 -0.264 3.737 3.960 0.068 0.000 0.215 526 G C 1.451 176.351 174.900 0.001 0.000 1.201 526 G CA 0.263 45.326 45.100 -0.062 0.000 0.784 526 G HN 0.170 nan 8.290 nan 0.000 0.545 527 F N 1.945 121.944 119.950 0.082 0.000 2.161 527 F HA -0.104 4.464 4.527 0.068 0.000 0.300 527 F C 3.152 178.877 175.800 -0.125 0.000 1.089 527 F CA 1.643 59.628 58.000 -0.025 0.000 1.282 527 F CB -0.231 38.762 39.000 -0.012 0.000 1.010 527 F HN 0.102 nan 8.300 nan 0.000 0.485 528 S N -0.254 115.547 115.700 0.168 0.000 2.371 528 S HA -0.173 4.338 4.470 0.068 0.000 0.224 528 S C 1.833 176.448 174.600 0.025 0.000 1.029 528 S CA 0.985 59.226 58.200 0.069 0.000 0.978 528 S CB -0.825 62.432 63.200 0.096 0.000 0.833 528 S HN 0.388 nan 8.310 nan 0.000 0.466 529 F N 2.841 122.756 119.950 -0.058 0.000 2.075 529 F HA -0.114 4.453 4.527 0.068 0.000 0.297 529 F C 2.343 178.081 175.800 -0.103 0.000 1.113 529 F CA 1.575 59.531 58.000 -0.073 0.000 1.218 529 F CB -0.384 38.530 39.000 -0.144 0.000 0.984 529 F HN 0.115 nan 8.300 nan 0.000 0.472 530 E N 0.601 120.810 120.200 0.015 0.000 2.038 530 E HA -0.236 4.155 4.350 0.068 0.000 0.195 530 E C 2.373 178.776 176.600 -0.328 0.000 1.000 530 E CA 1.803 58.166 56.400 -0.062 0.000 0.803 530 E CB -0.647 29.146 29.700 0.155 0.000 0.750 530 E HN 0.471 nan 8.360 nan 0.000 0.448 531 L N 1.452 122.381 121.223 -0.491 0.000 2.191 531 L HA -0.151 4.230 4.340 0.068 0.000 0.212 531 L C 2.742 179.439 176.870 -0.289 0.000 1.103 531 L CA 1.144 55.685 54.840 -0.498 0.000 0.769 531 L CB -0.503 41.294 42.059 -0.436 0.000 0.908 531 L HN 0.157 nan 8.230 nan 0.000 0.438 532 S N -0.528 115.015 115.700 -0.262 0.000 2.442 532 S HA -0.122 4.389 4.470 0.068 0.000 0.236 532 S C 1.714 176.186 174.600 -0.213 0.000 1.007 532 S CA 0.672 58.741 58.200 -0.219 0.000 0.965 532 S CB -0.125 62.938 63.200 -0.229 0.000 0.773 532 S HN 0.324 nan 8.310 nan 0.000 0.504 533 K N 1.181 121.440 120.400 -0.234 0.000 2.404 533 K HA 0.315 4.676 4.320 0.068 0.000 0.194 533 K C -0.114 176.479 176.600 -0.013 0.000 1.023 533 K CA -0.010 56.206 56.287 -0.119 0.000 1.094 533 K CB 0.132 32.579 32.500 -0.088 0.000 0.841 533 K HN 0.311 nan 8.250 nan 0.000 0.523 534 V N 2.430 122.310 119.914 -0.057 0.000 2.405 534 V HA -0.015 4.146 4.120 0.068 0.000 0.264 534 V C 1.803 177.876 176.094 -0.035 0.000 1.048 534 V CA -0.055 62.235 62.300 -0.016 0.000 0.966 534 V CB 1.095 32.870 31.823 -0.080 0.000 1.015 534 V HN -0.101 nan 8.190 nan 0.000 0.477 535 V N 5.424 125.341 119.914 0.006 0.000 2.295 535 V HA -0.117 4.044 4.120 0.068 0.000 0.246 535 V C 1.391 177.466 176.094 -0.031 0.000 1.049 535 V CA 1.468 63.769 62.300 0.001 0.000 1.024 535 V CB -0.441 31.402 31.823 0.033 0.000 0.648 535 V HN 0.780 nan 8.190 nan 0.000 0.447 536 R N 1.056 121.513 120.500 -0.072 0.000 2.288 536 R HA 0.137 4.518 4.340 0.068 0.000 0.330 536 R C -1.657 174.513 176.300 -0.217 0.000 1.069 536 R CA -1.213 54.809 56.100 -0.131 0.000 0.941 536 R CB 0.360 30.512 30.300 -0.246 0.000 0.998 536 R HN 0.305 nan 8.270 nan 0.000 0.452 537 P HA -0.203 nan 4.420 nan 0.000 0.218 537 P C 0.771 178.032 177.300 -0.064 0.000 1.149 537 P CA 1.124 64.187 63.100 -0.062 0.000 0.817 537 P CB -0.040 31.661 31.700 0.001 0.000 0.785 538 Y N -0.891 119.407 120.300 -0.003 0.000 2.274 538 Y HA -0.109 4.482 4.550 0.068 0.000 0.290 538 Y C 1.952 177.855 175.900 0.006 0.000 1.145 538 Y CA 0.765 58.864 58.100 -0.001 0.000 1.203 538 Y CB -1.802 36.657 38.460 -0.000 0.000 0.984 538 Y HN -0.118 nan 8.280 nan 0.000 0.533 539 I N 0.893 121.023 120.570 -0.733 0.000 2.252 539 I HA -0.249 3.962 4.170 0.068 0.000 0.245 539 I C 2.535 178.563 176.117 -0.149 0.000 1.102 539 I CA 1.477 62.542 61.300 -0.393 0.000 1.385 539 I CB -0.480 37.285 38.000 -0.392 0.000 1.064 539 I HN 0.196 nan 8.210 nan 0.000 0.414 540 R N 0.747 121.150 120.500 -0.162 0.000 2.083 540 R HA -0.168 4.213 4.340 0.068 0.000 0.237 540 R C 2.222 178.474 176.300 -0.079 0.000 1.137 540 R CA 1.289 57.310 56.100 -0.133 0.000 0.951 540 R CB -0.409 29.810 30.300 -0.135 0.000 0.851 540 R HN 0.412 nan 8.270 nan 0.000 0.434 541 E N 0.873 121.048 120.200 -0.042 0.000 2.038 541 E HA -0.189 4.202 4.350 0.068 0.000 0.195 541 E C 2.109 178.716 176.600 0.011 0.000 1.000 541 E CA 1.250 57.646 56.400 -0.006 0.000 0.803 541 E CB -0.157 29.563 29.700 0.034 0.000 0.750 541 E HN 0.348 nan 8.360 nan 0.000 0.448 542 R N 0.381 120.905 120.500 0.039 0.000 2.105 542 R HA -0.105 4.276 4.340 0.068 0.000 0.239 542 R C 2.502 178.826 176.300 0.040 0.000 1.135 542 R CA 1.119 57.251 56.100 0.053 0.000 0.967 542 R CB -0.314 30.038 30.300 0.087 0.000 0.861 542 R HN 0.026 nan 8.270 nan 0.000 0.442 543 V N 0.155 120.090 119.914 0.034 0.000 2.427 543 V HA -0.183 3.978 4.120 0.068 0.000 0.248 543 V C 2.264 178.347 176.094 -0.018 0.000 1.051 543 V CA 1.384 63.720 62.300 0.061 0.000 1.048 543 V CB -0.253 31.631 31.823 0.103 0.000 0.666 543 V HN 0.125 nan 8.190 nan 0.000 0.456 544 V N 0.620 120.498 119.914 -0.060 0.000 2.332 544 V HA -0.324 3.837 4.120 0.068 0.000 0.248 544 V C 2.342 178.398 176.094 -0.063 0.000 1.055 544 V CA 2.543 64.784 62.300 -0.097 0.000 1.038 544 V CB -0.643 31.127 31.823 -0.088 0.000 0.651 544 V HN 0.660 nan 8.190 nan 0.000 0.450 545 D N -0.920 119.474 120.400 -0.010 0.000 2.117 545 D HA -0.193 4.488 4.640 0.068 0.000 0.197 545 D C 2.266 178.634 176.300 0.114 0.000 0.987 545 D CA 1.162 55.187 54.000 0.042 0.000 0.829 545 D CB -0.033 40.805 40.800 0.062 0.000 0.961 545 D HN 0.321 nan 8.370 nan 0.000 0.460 546 Q N -0.245 119.592 119.800 0.060 0.000 2.119 546 Q HA -0.068 4.313 4.340 0.068 0.000 0.201 546 Q C 2.544 178.555 176.000 0.019 0.000 0.972 546 Q CA 0.636 56.472 55.803 0.055 0.000 0.847 546 Q CB -0.231 28.558 28.738 0.085 0.000 0.903 546 Q HN 0.458 nan 8.270 nan 0.000 0.433 547 L N 0.005 121.187 121.223 -0.069 0.000 2.093 547 L HA -0.114 4.267 4.340 0.068 0.000 0.208 547 L C 2.342 179.099 176.870 -0.187 0.000 1.085 547 L CA 0.955 55.683 54.840 -0.185 0.000 0.755 547 L CB -0.680 41.169 42.059 -0.351 0.000 0.904 547 L HN 0.083 nan 8.230 nan 0.000 0.435 548 A N -0.696 122.038 122.820 -0.143 0.000 2.125 548 A HA -0.210 4.151 4.320 0.068 0.000 0.219 548 A C 1.729 179.149 177.584 -0.273 0.000 1.156 548 A CA 1.323 53.245 52.037 -0.191 0.000 0.671 548 A CB -0.759 18.136 19.000 -0.175 0.000 0.794 548 A HN 0.459 nan 8.150 nan 0.000 0.459 549 H N -1.296 117.565 119.070 -0.349 0.000 2.548 549 H HA 0.269 4.866 4.556 0.069 0.000 0.268 549 H C 1.607 176.652 175.328 -0.471 0.000 0.975 549 H CA 0.928 56.648 56.048 -0.545 0.000 1.195 549 H CB 0.111 29.171 29.762 -1.171 0.000 1.397 549 H HN 0.494 nan 8.280 nan 0.000 0.572 550 I N -1.138 119.317 120.570 -0.191 0.000 2.685 550 I HA 0.085 4.295 4.170 0.068 0.000 0.251 550 I C -0.131 175.903 176.117 -0.139 0.000 1.102 550 I CA 0.472 61.723 61.300 -0.082 0.000 1.442 550 I CB 0.639 38.616 38.000 -0.039 0.000 1.194 550 I HN 0.121 nan 8.210 nan 0.000 0.448 551 D N -1.170 119.081 120.400 -0.249 0.000 2.878 551 D HA 0.209 4.890 4.640 0.068 0.000 0.211 551 D C 0.007 176.142 176.300 -0.275 0.000 1.271 551 D CA -0.439 53.399 54.000 -0.270 0.000 0.845 551 D CB 1.408 41.920 40.800 -0.480 0.000 1.679 551 D HN -0.212 nan 8.370 nan 0.000 0.536 552 L N 2.338 123.461 121.223 -0.168 0.000 2.156 552 L HA 0.058 4.439 4.340 0.068 0.000 0.208 552 L C 2.210 179.007 176.870 -0.123 0.000 1.095 552 L CA 1.684 56.439 54.840 -0.141 0.000 0.770 552 L CB -0.939 41.063 42.059 -0.095 0.000 0.914 552 L HN 0.662 nan 8.230 nan 0.000 0.439 553 T N -0.283 114.227 114.554 -0.072 0.000 2.708 553 T HA -0.193 4.198 4.350 0.068 0.000 0.266 553 T C 1.853 176.509 174.700 -0.072 0.000 1.037 553 T CA 1.536 63.642 62.100 0.009 0.000 1.146 553 T CB -0.356 68.615 68.868 0.173 0.000 0.865 553 T HN 0.204 nan 8.240 nan 0.000 0.435 554 L N 1.717 122.734 121.223 -0.343 0.000 1.989 554 L HA 0.032 4.413 4.340 0.068 0.000 0.211 554 L C 2.629 179.282 176.870 -0.362 0.000 1.071 554 L CA 2.164 56.633 54.840 -0.619 0.000 0.749 554 L CB -1.165 40.088 42.059 -1.343 0.000 0.890 554 L HN 0.211 nan 8.230 nan 0.000 0.431 555 A N -1.076 121.542 122.820 -0.338 0.000 1.908 555 A HA -0.278 4.083 4.320 0.068 0.000 0.218 555 A C 2.240 179.729 177.584 -0.159 0.000 1.181 555 A CA 2.048 53.935 52.037 -0.250 0.000 0.627 555 A CB -0.691 18.180 19.000 -0.214 0.000 0.818 555 A HN 0.711 nan 8.150 nan 0.000 0.445 556 Q N -1.032 118.698 119.800 -0.116 0.000 2.172 556 Q HA -0.003 4.378 4.340 0.068 0.000 0.200 556 Q C 2.381 178.358 176.000 -0.039 0.000 0.964 556 Q CA 1.069 56.832 55.803 -0.066 0.000 0.855 556 Q CB -0.294 28.419 28.738 -0.042 0.000 0.918 556 Q HN 0.700 nan 8.270 nan 0.000 0.444 557 A N 0.133 122.938 122.820 -0.025 0.000 1.929 557 A HA -0.103 4.258 4.320 0.068 0.000 0.216 557 A C 2.259 179.849 177.584 0.009 0.000 1.176 557 A CA 1.040 53.090 52.037 0.021 0.000 0.628 557 A CB -0.474 18.572 19.000 0.077 0.000 0.816 557 A HN 0.191 nan 8.150 nan 0.000 0.444 558 V N -0.013 119.878 119.914 -0.037 0.000 2.307 558 V HA -0.226 3.935 4.120 0.068 0.000 0.245 558 V C 3.073 179.138 176.094 -0.049 0.000 1.045 558 V CA 1.830 64.104 62.300 -0.044 0.000 1.024 558 V CB -1.360 30.385 31.823 -0.130 0.000 0.651 558 V HN 0.596 nan 8.190 nan 0.000 0.449 559 A N 0.097 122.876 122.820 -0.068 0.000 1.892 559 A HA -0.348 4.013 4.320 0.068 0.000 0.218 559 A C 2.350 179.916 177.584 -0.030 0.000 1.188 559 A CA 2.614 54.617 52.037 -0.055 0.000 0.631 559 A CB -0.595 18.370 19.000 -0.057 0.000 0.822 559 A HN 0.563 nan 8.150 nan 0.000 0.447 560 K N -0.637 119.753 120.400 -0.016 0.000 2.057 560 K HA -0.190 4.171 4.320 0.068 0.000 0.207 560 K C 1.515 178.119 176.600 0.008 0.000 1.049 560 K CA 1.609 57.896 56.287 -0.000 0.000 0.931 560 K CB -0.240 32.267 32.500 0.011 0.000 0.714 560 K HN 0.418 nan 8.250 nan 0.000 0.440 561 N N 0.724 119.433 118.700 0.015 0.000 2.443 561 N HA -0.109 4.672 4.740 0.068 0.000 0.184 561 N C 1.117 176.629 175.510 0.003 0.000 1.037 561 N CA 0.867 53.932 53.050 0.024 0.000 0.896 561 N CB 0.075 38.589 38.487 0.045 0.000 0.959 561 N HN 0.294 nan 8.380 nan 0.000 0.442 562 L N -1.017 120.196 121.223 -0.016 0.000 2.728 562 L HA 0.277 4.657 4.340 0.068 0.000 0.238 562 L C 0.892 177.747 176.870 -0.024 0.000 1.143 562 L CA -0.185 54.636 54.840 -0.032 0.000 0.937 562 L CB -0.026 41.999 42.059 -0.057 0.000 1.225 562 L HN 0.041 nan 8.230 nan 0.000 0.507 563 G N 1.677 110.469 108.800 -0.013 0.000 2.283 563 G HA2 -0.295 3.706 3.960 0.068 0.000 0.280 563 G HA3 -0.295 3.706 3.960 0.068 0.000 0.280 563 G C 0.029 174.921 174.900 -0.013 0.000 1.029 563 G CA 0.284 45.379 45.100 -0.009 0.000 0.840 563 G HN 0.344 nan 8.290 nan 0.000 0.505 564 I N -0.545 120.013 120.570 -0.020 0.000 2.525 564 I HA 0.550 4.761 4.170 0.068 0.000 0.301 564 I C 0.183 176.286 176.117 -0.022 0.000 0.992 564 I CA -0.961 60.325 61.300 -0.022 0.000 1.162 564 I CB 1.903 39.884 38.000 -0.033 0.000 1.332 564 I HN 0.212 nan 8.210 nan 0.000 0.458 565 E N 6.082 126.271 120.200 -0.019 0.000 2.165 565 E HA 0.421 4.812 4.350 0.068 0.000 0.266 565 E C -1.337 175.249 176.600 -0.024 0.000 0.889 565 E CA -0.543 55.845 56.400 -0.019 0.000 0.756 565 E CB 1.092 30.784 29.700 -0.013 0.000 1.131 565 E HN 0.431 nan 8.360 nan 0.000 0.411 566 L N 4.108 125.312 121.223 -0.032 0.000 2.456 566 L HA 0.207 4.588 4.340 0.068 0.000 0.272 566 L C 0.941 177.792 176.870 -0.032 0.000 1.189 566 L CA -0.204 54.613 54.840 -0.039 0.000 0.846 566 L CB 0.518 42.546 42.059 -0.052 0.000 1.111 566 L HN 0.765 nan 8.230 nan 0.000 0.475 567 T N -2.038 112.498 114.554 -0.031 0.000 2.754 567 T HA 0.072 4.463 4.350 0.068 0.000 0.286 567 T C 0.698 175.378 174.700 -0.033 0.000 0.997 567 T CA -0.670 61.415 62.100 -0.026 0.000 0.982 567 T CB 1.045 69.900 68.868 -0.021 0.000 1.027 567 T HN 0.510 nan 8.240 nan 0.000 0.529 568 D N 0.205 120.588 120.400 -0.028 0.000 2.117 568 D HA -0.039 4.641 4.640 0.068 0.000 0.197 568 D C 1.735 178.012 176.300 -0.039 0.000 0.987 568 D CA 1.133 55.115 54.000 -0.030 0.000 0.829 568 D CB -0.344 40.443 40.800 -0.022 0.000 0.961 568 D HN 0.602 nan 8.370 nan 0.000 0.460 569 D N 0.093 120.471 120.400 -0.037 0.000 2.123 569 D HA -0.142 4.539 4.640 0.068 0.000 0.196 569 D C 2.033 178.288 176.300 -0.075 0.000 0.992 569 D CA 0.862 54.835 54.000 -0.046 0.000 0.833 569 D CB -0.185 40.596 40.800 -0.032 0.000 0.954 569 D HN 0.319 nan 8.370 nan 0.000 0.455 570 Q N -0.414 119.341 119.800 -0.075 0.000 2.119 570 Q HA -0.030 4.351 4.340 0.068 0.000 0.201 570 Q C 2.274 178.201 176.000 -0.121 0.000 0.972 570 Q CA 0.593 56.330 55.803 -0.110 0.000 0.847 570 Q CB -0.035 28.655 28.738 -0.081 0.000 0.903 570 Q HN 0.325 nan 8.270 nan 0.000 0.433 571 L N 0.619 121.791 121.223 -0.086 0.000 2.362 571 L HA -0.109 4.272 4.340 0.068 0.000 0.219 571 L C 1.443 178.265 176.870 -0.079 0.000 1.134 571 L CA 0.551 55.344 54.840 -0.078 0.000 0.807 571 L CB -0.142 41.885 42.059 -0.054 0.000 0.927 571 L HN 0.227 nan 8.230 nan 0.000 0.447 572 N N -0.059 118.591 118.700 -0.084 0.000 2.230 572 N HA 0.221 5.002 4.740 0.068 0.000 0.202 572 N C 0.390 175.838 175.510 -0.104 0.000 1.119 572 N CA -0.020 52.984 53.050 -0.077 0.000 0.851 572 N CB 0.789 39.242 38.487 -0.056 0.000 0.990 572 N HN 0.256 nan 8.380 nan 0.000 0.497 573 I N 2.117 122.589 120.570 -0.163 0.000 2.598 573 I HA -0.056 4.155 4.170 0.068 0.000 0.284 573 I C 0.476 176.494 176.117 -0.165 0.000 1.140 573 I CA 0.345 61.509 61.300 -0.226 0.000 1.420 573 I CB 0.371 38.104 38.000 -0.446 0.000 1.387 573 I HN -0.129 nan 8.210 nan 0.000 0.553 574 T N 7.962 122.449 114.554 -0.111 0.000 2.888 574 T HA 0.150 4.541 4.350 0.068 0.000 0.301 574 T C -2.038 172.624 174.700 -0.063 0.000 1.001 574 T CA -0.900 61.161 62.100 -0.064 0.000 1.147 574 T CB 0.030 68.883 68.868 -0.024 0.000 0.931 574 T HN 0.377 nan 8.240 nan 0.000 0.541 575 P HA 0.227 nan 4.420 nan 0.000 0.269 575 P C -2.331 174.984 177.300 0.025 0.000 1.215 575 P CA -1.400 61.686 63.100 -0.023 0.000 0.780 575 P CB -0.493 31.203 31.700 -0.007 0.000 0.898 576 P HA 0.205 nan 4.420 nan 0.000 0.272 576 P C -2.383 174.969 177.300 0.088 0.000 1.240 576 P CA -1.251 61.917 63.100 0.114 0.000 0.791 576 P CB -1.107 30.701 31.700 0.181 0.000 0.978 577 P HA 0.134 nan 4.420 nan 0.000 0.272 577 P C -0.225 177.123 177.300 0.080 0.000 1.240 577 P CA 0.033 63.178 63.100 0.075 0.000 0.791 577 P CB 0.317 32.063 31.700 0.076 0.000 0.978 578 D N -0.297 120.143 120.400 0.066 0.000 2.362 578 D HA 0.054 4.735 4.640 0.068 0.000 0.238 578 D C -0.119 176.226 176.300 0.075 0.000 1.212 578 D CA 0.140 54.175 54.000 0.059 0.000 0.902 578 D CB 0.446 41.276 40.800 0.050 0.000 1.180 578 D HN -0.033 nan 8.370 nan 0.000 0.445 579 V N 2.656 122.605 119.914 0.058 0.000 2.339 579 V HA 0.056 4.217 4.120 0.068 0.000 0.261 579 V C 0.338 176.519 176.094 0.145 0.000 1.058 579 V CA -0.307 62.052 62.300 0.098 0.000 0.897 579 V CB -0.440 31.340 31.823 -0.071 0.000 1.052 579 V HN 0.626 nan 8.190 nan 0.000 0.480 580 N N 4.431 123.234 118.700 0.170 0.000 2.727 580 N HA -0.233 4.548 4.740 0.068 0.000 0.249 580 N C 1.164 176.729 175.510 0.093 0.000 1.048 580 N CA 0.766 53.900 53.050 0.139 0.000 0.714 580 N CB -0.862 37.745 38.487 0.201 0.000 0.959 580 N HN 1.235 nan 8.380 nan 0.000 0.544 581 G N -1.672 107.172 108.800 0.073 0.000 2.179 581 G HA2 -0.338 3.663 3.960 0.068 0.000 0.260 581 G HA3 -0.338 3.663 3.960 0.068 0.000 0.260 581 G C 0.145 175.074 174.900 0.048 0.000 0.977 581 G CA 0.441 45.573 45.100 0.053 0.000 0.641 581 G HN 0.390 nan 8.290 nan 0.000 0.533 582 L N 0.189 121.445 121.223 0.054 0.000 2.331 582 L HA 0.395 4.776 4.340 0.068 0.000 0.278 582 L C 1.483 178.368 176.870 0.026 0.000 1.106 582 L CA -0.242 54.621 54.840 0.039 0.000 0.824 582 L CB 1.086 43.168 42.059 0.040 0.000 1.142 582 L HN 0.032 nan 8.230 nan 0.000 0.443 583 K N 3.123 123.534 120.400 0.017 0.000 2.358 583 K HA 0.145 4.506 4.320 0.068 0.000 0.197 583 K C -0.311 176.286 176.600 -0.006 0.000 1.025 583 K CA 0.086 56.380 56.287 0.012 0.000 1.104 583 K CB 0.481 32.986 32.500 0.009 0.000 0.855 583 K HN 0.590 nan 8.250 nan 0.000 0.531 584 K N -0.139 120.254 120.400 -0.012 0.000 2.818 584 K HA 0.151 4.512 4.320 0.068 0.000 0.287 584 K C -2.329 174.259 176.600 -0.021 0.000 1.061 584 K CA -0.823 55.442 56.287 -0.037 0.000 0.858 584 K CB 1.215 33.675 32.500 -0.067 0.000 1.456 584 K HN -0.219 nan 8.250 nan 0.000 0.364 585 D N 2.322 122.705 120.400 -0.029 0.000 2.375 585 D HA 0.282 4.963 4.640 0.068 0.000 0.241 585 D C -2.113 174.179 176.300 -0.013 0.000 1.361 585 D CA -1.867 52.136 54.000 0.005 0.000 0.995 585 D CB 2.061 42.887 40.800 0.043 0.000 1.312 585 D HN 0.270 nan 8.370 nan 0.000 0.576 586 P HA -0.110 nan 4.420 nan 0.000 0.223 586 P C 1.274 178.575 177.300 0.001 0.000 1.144 586 P CA 0.813 63.892 63.100 -0.033 0.000 0.783 586 P CB 0.141 31.829 31.700 -0.021 0.000 0.771 587 S N -1.105 114.627 115.700 0.054 0.000 2.515 587 S HA -0.025 4.486 4.470 0.068 0.000 0.231 587 S C 1.715 176.406 174.600 0.151 0.000 0.987 587 S CA 0.579 58.846 58.200 0.112 0.000 0.936 587 S CB -1.371 61.922 63.200 0.155 0.000 0.766 587 S HN 0.133 nan 8.310 nan 0.000 0.528 588 L N 1.262 122.545 121.223 0.100 0.000 2.418 588 L HA 0.184 4.565 4.340 0.068 0.000 0.218 588 L C 1.504 178.299 176.870 -0.125 0.000 1.125 588 L CA 0.183 55.084 54.840 0.102 0.000 0.835 588 L CB -0.361 41.756 42.059 0.097 0.000 0.953 588 L HN 0.333 nan 8.230 nan 0.000 0.454 589 S N -0.386 115.212 115.700 -0.169 0.000 2.586 589 S HA 0.277 4.788 4.470 0.068 0.000 0.274 589 S C 1.115 175.602 174.600 -0.188 0.000 1.281 589 S CA -0.624 57.420 58.200 -0.259 0.000 1.035 589 S CB 1.330 64.377 63.200 -0.256 0.000 0.962 589 S HN 0.159 nan 8.310 nan 0.000 0.512 590 L N 3.105 124.136 121.223 -0.320 0.000 2.109 590 L HA -0.009 4.372 4.340 0.068 0.000 0.207 590 L C 0.928 177.501 176.870 -0.495 0.000 1.086 590 L CA 1.220 55.760 54.840 -0.501 0.000 0.760 590 L CB -0.286 41.162 42.059 -1.019 0.000 0.910 590 L HN 0.770 nan 8.230 nan 0.000 0.437 591 Y N -2.292 118.011 120.300 0.004 0.000 2.426 591 Y HA 0.326 4.918 4.550 0.069 0.000 0.249 591 Y C 2.158 178.086 175.900 0.048 0.000 1.103 591 Y CA -0.118 58.032 58.100 0.083 0.000 1.256 591 Y CB -0.447 38.106 38.460 0.156 0.000 1.208 591 Y HN -0.044 nan 8.280 nan 0.000 0.519 592 A N 0.646 123.506 122.820 0.066 0.000 1.940 592 A HA -0.066 4.295 4.320 0.068 0.000 0.219 592 A C 0.935 178.560 177.584 0.067 0.000 1.176 592 A CA 1.114 53.167 52.037 0.027 0.000 0.631 592 A CB -0.746 18.215 19.000 -0.065 0.000 0.814 592 A HN 0.301 nan 8.150 nan 0.000 0.446 593 I N 1.885 122.498 120.570 0.071 0.000 2.328 593 I HA 0.222 4.433 4.170 0.068 0.000 0.287 593 I C -2.192 173.993 176.117 0.113 0.000 1.012 593 I CA -2.325 59.022 61.300 0.079 0.000 1.195 593 I CB 1.498 39.534 38.000 0.060 0.000 1.350 593 I HN 0.109 nan 8.210 nan 0.000 0.464 594 P HA -0.020 nan 4.420 nan 0.000 0.262 594 P C -0.521 176.850 177.300 0.118 0.000 1.182 594 P CA 0.325 63.510 63.100 0.142 0.000 0.761 594 P CB 0.597 32.366 31.700 0.116 0.000 0.795 595 D N 1.125 121.603 120.400 0.131 0.000 2.740 595 D HA 0.096 4.777 4.640 0.068 0.000 0.305 595 D C 0.515 176.873 176.300 0.098 0.000 1.583 595 D CA -0.433 53.628 54.000 0.101 0.000 0.790 595 D CB -0.505 40.351 40.800 0.093 0.000 1.187 595 D HN 0.318 nan 8.370 nan 0.000 0.447 596 G N 0.233 109.101 108.800 0.112 0.000 2.432 596 G HA2 0.349 4.350 3.960 0.068 0.000 0.239 596 G HA3 0.349 4.350 3.960 0.068 0.000 0.239 596 G C -0.623 174.316 174.900 0.065 0.000 1.291 596 G CA 0.036 45.197 45.100 0.102 0.000 0.863 596 G HN 0.187 nan 8.290 nan 0.000 0.560 597 D N 0.932 121.363 120.400 0.052 0.000 2.616 597 D HA 0.149 4.830 4.640 0.068 0.000 0.238 597 D C 1.048 177.363 176.300 0.024 0.000 1.354 597 D CA -0.547 53.471 54.000 0.029 0.000 0.970 597 D CB 1.668 42.478 40.800 0.017 0.000 1.369 597 D HN 0.284 nan 8.370 nan 0.000 0.585 598 V N 1.972 121.894 119.914 0.013 0.000 3.041 598 V HA 0.155 4.316 4.120 0.068 0.000 0.260 598 V C 1.090 177.170 176.094 -0.024 0.000 1.105 598 V CA 0.405 62.708 62.300 0.004 0.000 1.125 598 V CB -0.721 31.099 31.823 -0.006 0.000 0.730 598 V HN 0.405 nan 8.190 nan 0.000 0.479 599 K N 1.253 121.631 120.400 -0.036 0.000 2.447 599 K HA 0.393 4.754 4.320 0.068 0.000 0.281 599 K C 1.214 177.780 176.600 -0.056 0.000 1.031 599 K CA 0.990 57.234 56.287 -0.071 0.000 1.019 599 K CB 0.116 32.578 32.500 -0.062 0.000 0.918 599 K HN 0.671 nan 8.250 nan 0.000 0.476 600 G N 3.300 112.042 108.800 -0.096 0.000 2.213 600 G HA2 -0.203 3.798 3.960 0.068 0.000 0.236 600 G HA3 -0.203 3.798 3.960 0.068 0.000 0.236 600 G C 0.046 174.997 174.900 0.085 0.000 0.991 600 G CA -0.324 44.796 45.100 0.034 0.000 0.629 600 G HN 0.554 nan 8.290 nan 0.000 0.517 601 R N -0.067 120.450 120.500 0.027 0.000 2.726 601 R HA 0.704 5.085 4.340 0.068 0.000 0.272 601 R C 0.043 176.397 176.300 0.089 0.000 1.097 601 R CA -0.133 56.012 56.100 0.076 0.000 1.198 601 R CB 0.925 31.263 30.300 0.063 0.000 1.114 601 R HN 0.685 nan 8.270 nan 0.000 0.550 602 V N 0.462 120.449 119.914 0.122 0.000 2.841 602 V HA 0.459 4.620 4.120 0.068 0.000 0.310 602 V C -1.075 175.083 176.094 0.106 0.000 1.090 602 V CA -0.745 61.639 62.300 0.141 0.000 0.930 602 V CB 2.498 34.436 31.823 0.191 0.000 1.014 602 V HN 0.360 nan 8.190 nan 0.000 0.425 603 V N 5.405 125.376 119.914 0.094 0.000 2.628 603 V HA 0.815 4.976 4.120 0.068 0.000 0.306 603 V C 0.474 176.619 176.094 0.085 0.000 1.045 603 V CA -0.198 62.147 62.300 0.074 0.000 0.905 603 V CB 1.786 33.638 31.823 0.049 0.000 0.997 603 V HN 1.177 nan 8.190 nan 0.000 0.436 604 A N 5.614 128.487 122.820 0.089 0.000 2.328 604 A HA 0.767 5.128 4.320 0.068 0.000 0.284 604 A C -0.461 177.124 177.584 0.003 0.000 1.160 604 A CA -0.251 51.822 52.037 0.060 0.000 0.818 604 A CB 0.051 19.108 19.000 0.095 0.000 1.087 604 A HN 0.755 nan 8.150 nan 0.000 0.504 605 I N 3.607 124.177 120.570 0.000 0.000 2.354 605 I HA 0.195 4.406 4.170 0.068 0.000 0.286 605 I C -0.601 175.518 176.117 0.003 0.000 1.007 605 I CA -0.234 61.069 61.300 0.004 0.000 1.167 605 I CB 1.363 39.380 38.000 0.029 0.000 1.320 605 I HN 0.493 nan 8.210 nan 0.000 0.458 606 L N 7.349 128.556 121.223 -0.027 0.000 2.312 606 L HA 0.378 4.759 4.340 0.068 0.000 0.287 606 L C 0.051 177.018 176.870 0.162 0.000 1.091 606 L CA -0.307 54.569 54.840 0.060 0.000 0.846 606 L CB -0.086 41.856 42.059 -0.195 0.000 1.219 606 L HN 0.455 nan 8.230 nan 0.000 0.439 607 L N 3.525 124.901 121.223 0.255 0.000 2.475 607 L HA 0.291 4.672 4.340 0.068 0.000 0.253 607 L C 0.252 177.327 176.870 0.341 0.000 1.198 607 L CA -0.330 54.623 54.840 0.189 0.000 0.814 607 L CB 0.668 42.745 42.059 0.029 0.000 1.134 607 L HN 0.697 nan 8.230 nan 0.000 0.478 608 N N -2.128 116.677 118.700 0.175 0.000 2.629 608 N HA 0.240 5.021 4.740 0.068 0.000 0.279 608 N C -0.436 175.088 175.510 0.024 0.000 1.344 608 N CA -0.774 52.426 53.050 0.251 0.000 0.789 608 N CB 0.666 39.270 38.487 0.195 0.000 1.508 608 N HN 0.528 nan 8.380 nan 0.000 0.516 609 D N -2.111 118.328 120.400 0.064 0.000 2.363 609 D HA 0.012 4.693 4.640 0.068 0.000 0.226 609 D C -0.265 176.008 176.300 -0.045 0.000 1.020 609 D CA 0.630 54.595 54.000 -0.058 0.000 0.892 609 D CB -0.042 40.776 40.800 0.030 0.000 0.900 609 D HN 0.661 nan 8.370 nan 0.000 0.531 610 E N 0.246 120.436 120.200 -0.017 0.000 3.832 610 E HA 0.212 4.603 4.350 0.068 0.000 0.250 610 E C -1.376 175.215 176.600 -0.015 0.000 1.215 610 E CA -0.471 55.917 56.400 -0.019 0.000 1.179 610 E CB 0.498 30.195 29.700 -0.005 0.000 1.270 610 E HN -0.099 nan 8.360 nan 0.000 0.405 611 V N 2.322 122.219 119.914 -0.028 0.000 2.599 611 V HA 0.065 4.226 4.120 0.068 0.000 0.300 611 V C 0.867 176.947 176.094 -0.022 0.000 1.034 611 V CA 0.337 62.624 62.300 -0.020 0.000 1.115 611 V CB 0.716 32.520 31.823 -0.032 0.000 0.934 611 V HN 0.444 nan 8.190 nan 0.000 0.485 612 R N 3.612 124.100 120.500 -0.020 0.000 2.345 612 R HA 0.058 4.439 4.340 0.068 0.000 0.331 612 R C 1.581 177.862 176.300 -0.032 0.000 1.067 612 R CA 0.464 56.547 56.100 -0.028 0.000 0.962 612 R CB 0.473 30.752 30.300 -0.035 0.000 0.987 612 R HN 0.999 nan 8.270 nan 0.000 0.451 613 S N 2.932 118.615 115.700 -0.029 0.000 2.419 613 S HA -0.179 4.332 4.470 0.068 0.000 0.233 613 S C 1.884 176.466 174.600 -0.030 0.000 1.016 613 S CA 0.900 59.083 58.200 -0.028 0.000 0.974 613 S CB 0.048 63.233 63.200 -0.024 0.000 0.786 613 S HN 0.669 nan 8.310 nan 0.000 0.492 614 A N 2.032 124.831 122.820 -0.035 0.000 1.969 614 A HA -0.058 4.303 4.320 0.068 0.000 0.218 614 A C 1.930 179.482 177.584 -0.054 0.000 1.169 614 A CA 1.498 53.511 52.037 -0.040 0.000 0.635 614 A CB -0.717 18.259 19.000 -0.041 0.000 0.810 614 A HN 0.468 nan 8.150 nan 0.000 0.445 615 D N -0.077 120.282 120.400 -0.068 0.000 2.084 615 D HA -0.121 4.560 4.640 0.068 0.000 0.194 615 D C 1.936 178.203 176.300 -0.056 0.000 0.990 615 D CA 0.806 54.748 54.000 -0.096 0.000 0.826 615 D CB -0.367 40.367 40.800 -0.110 0.000 0.971 615 D HN 0.344 nan 8.370 nan 0.000 0.453 616 L N 0.306 121.509 121.223 -0.033 0.000 2.042 616 L HA -0.178 4.203 4.340 0.068 0.000 0.210 616 L C 2.390 179.257 176.870 -0.005 0.000 1.076 616 L CA 0.833 55.666 54.840 -0.012 0.000 0.749 616 L CB -0.258 41.794 42.059 -0.012 0.000 0.893 616 L HN 0.108 nan 8.230 nan 0.000 0.432 617 L N 0.141 121.357 121.223 -0.012 0.000 1.989 617 L HA -0.208 4.173 4.340 0.068 0.000 0.211 617 L C 2.620 179.489 176.870 -0.001 0.000 1.071 617 L CA 2.235 57.071 54.840 -0.007 0.000 0.749 617 L CB -0.749 41.303 42.059 -0.012 0.000 0.890 617 L HN 0.210 nan 8.230 nan 0.000 0.431 618 A N -0.354 122.461 122.820 -0.009 0.000 1.877 618 A HA -0.196 4.165 4.320 0.068 0.000 0.216 618 A C 2.269 179.870 177.584 0.027 0.000 1.186 618 A CA 2.184 54.222 52.037 0.001 0.000 0.620 618 A CB -0.954 18.033 19.000 -0.022 0.000 0.822 618 A HN 0.537 nan 8.150 nan 0.000 0.443 619 I N -0.399 120.191 120.570 0.032 0.000 2.127 619 I HA -0.278 3.933 4.170 0.068 0.000 0.241 619 I C 2.434 178.579 176.117 0.047 0.000 1.075 619 I CA 1.314 62.654 61.300 0.066 0.000 1.334 619 I CB -0.342 37.700 38.000 0.069 0.000 1.040 619 I HN 0.290 nan 8.210 nan 0.000 0.405 620 L N 0.491 121.732 121.223 0.031 0.000 2.093 620 L HA -0.209 4.172 4.340 0.068 0.000 0.208 620 L C 2.652 179.534 176.870 0.020 0.000 1.085 620 L CA 1.299 56.155 54.840 0.026 0.000 0.755 620 L CB -0.571 41.501 42.059 0.022 0.000 0.904 620 L HN 0.263 nan 8.230 nan 0.000 0.435 621 K N 0.668 121.079 120.400 0.017 0.000 2.057 621 K HA -0.191 4.170 4.320 0.068 0.000 0.207 621 K C 2.083 178.691 176.600 0.013 0.000 1.049 621 K CA 1.470 57.765 56.287 0.013 0.000 0.931 621 K CB -0.056 32.451 32.500 0.011 0.000 0.714 621 K HN 0.247 nan 8.250 nan 0.000 0.440 622 A N 1.417 124.250 122.820 0.022 0.000 1.929 622 A HA -0.041 4.320 4.320 0.068 0.000 0.216 622 A C 2.135 179.724 177.584 0.008 0.000 1.176 622 A CA 0.927 52.976 52.037 0.020 0.000 0.628 622 A CB -0.480 18.543 19.000 0.038 0.000 0.816 622 A HN 0.314 nan 8.150 nan 0.000 0.444 623 L N -0.591 120.637 121.223 0.008 0.000 2.046 623 L HA -0.223 4.158 4.340 0.068 0.000 0.208 623 L C 2.635 179.483 176.870 -0.035 0.000 1.077 623 L CA 2.048 56.881 54.840 -0.012 0.000 0.747 623 L CB -0.454 41.604 42.059 -0.002 0.000 0.896 623 L HN 0.492 nan 8.230 nan 0.000 0.432 624 K N 0.455 120.844 120.400 -0.018 0.000 2.057 624 K HA -0.170 4.191 4.320 0.068 0.000 0.207 624 K C 2.109 178.693 176.600 -0.027 0.000 1.049 624 K CA 1.344 57.619 56.287 -0.021 0.000 0.931 624 K CB -0.098 32.402 32.500 0.000 0.000 0.714 624 K HN 0.246 nan 8.250 nan 0.000 0.440 625 A N 1.012 123.822 122.820 -0.017 0.000 1.972 625 A HA -0.103 4.258 4.320 0.068 0.000 0.219 625 A C 1.460 179.029 177.584 -0.026 0.000 1.169 625 A CA 1.360 53.388 52.037 -0.015 0.000 0.635 625 A CB -0.163 18.834 19.000 -0.006 0.000 0.810 625 A HN 0.178 nan 8.150 nan 0.000 0.446 626 K N -1.041 119.338 120.400 -0.036 0.000 2.387 626 K HA 0.205 4.566 4.320 0.068 0.000 0.198 626 K C 0.935 177.488 176.600 -0.078 0.000 1.022 626 K CA 0.584 56.844 56.287 -0.045 0.000 1.128 626 K CB -0.194 32.284 32.500 -0.037 0.000 0.853 626 K HN 0.701 nan 8.250 nan 0.000 0.523 627 G N 1.584 110.322 108.800 -0.104 0.000 2.198 627 G HA2 -0.242 3.759 3.960 0.068 0.000 0.260 627 G HA3 -0.242 3.759 3.960 0.068 0.000 0.260 627 G C 0.077 174.774 174.900 -0.338 0.000 1.025 627 G CA 0.258 45.249 45.100 -0.181 0.000 0.769 627 G HN 0.138 nan 8.290 nan 0.000 0.507 628 V N 2.254 122.000 119.914 -0.280 0.000 2.465 628 V HA 0.449 4.610 4.120 0.068 0.000 0.279 628 V C 0.657 176.566 176.094 -0.309 0.000 1.045 628 V CA -1.051 61.087 62.300 -0.269 0.000 0.938 628 V CB 1.239 33.000 31.823 -0.105 0.000 0.986 628 V HN 0.374 nan 8.190 nan 0.000 0.467 629 H N 2.478 121.563 119.070 0.026 0.000 2.488 629 H HA 0.778 5.375 4.556 0.068 0.000 0.347 629 H C 0.129 175.479 175.328 0.037 0.000 1.174 629 H CA -0.246 55.819 56.048 0.029 0.000 1.307 629 H CB 1.909 31.691 29.762 0.034 0.000 1.517 629 H HN 0.759 nan 8.280 nan 0.000 0.554 630 A N 1.420 124.342 122.820 0.170 0.000 2.380 630 A HA 0.562 4.923 4.320 0.068 0.000 0.315 630 A C -0.601 177.042 177.584 0.099 0.000 1.101 630 A CA -0.899 51.203 52.037 0.109 0.000 0.771 630 A CB 1.348 20.393 19.000 0.075 0.000 1.287 630 A HN 0.754 nan 8.150 nan 0.000 0.436 631 K N 2.098 122.548 120.400 0.084 0.000 2.463 631 K HA 0.614 4.975 4.320 0.068 0.000 0.255 631 K C -1.658 174.972 176.600 0.051 0.000 0.942 631 K CA -0.467 55.862 56.287 0.071 0.000 0.814 631 K CB 1.188 33.740 32.500 0.087 0.000 1.122 631 K HN 0.524 nan 8.250 nan 0.000 0.425 632 L N 5.427 126.673 121.223 0.037 0.000 2.385 632 L HA 0.277 4.658 4.340 0.068 0.000 0.281 632 L C -0.373 176.512 176.870 0.025 0.000 1.106 632 L CA -0.486 54.370 54.840 0.026 0.000 0.856 632 L CB -0.086 41.979 42.059 0.009 0.000 1.186 632 L HN 0.519 nan 8.230 nan 0.000 0.453 633 L N 3.837 125.083 121.223 0.040 0.000 2.330 633 L HA 0.602 4.983 4.340 0.068 0.000 0.271 633 L C -0.738 176.113 176.870 -0.032 0.000 1.013 633 L CA -0.780 54.060 54.840 0.000 0.000 0.816 633 L CB 1.825 43.910 42.059 0.044 0.000 1.287 633 L HN 0.385 nan 8.230 nan 0.000 0.435 634 Y N -0.694 119.220 120.300 -0.644 0.000 2.744 634 Y HA 0.163 4.754 4.550 0.068 0.000 0.330 634 Y C 0.787 175.921 175.900 -1.277 0.000 1.263 634 Y CA -0.855 56.753 58.100 -0.820 0.000 1.065 634 Y CB 1.670 39.951 38.460 -0.298 0.000 1.306 634 Y HN 0.566 nan 8.280 nan 0.000 0.459 635 S N 0.838 115.516 115.700 -1.702 0.000 2.561 635 S HA 0.193 4.704 4.470 0.068 0.000 0.225 635 S C 0.100 174.389 174.600 -0.518 0.000 0.977 635 S CA 0.509 58.152 58.200 -0.930 0.000 0.926 635 S CB -0.306 62.533 63.200 -0.602 0.000 0.769 635 S HN 0.612 nan 8.310 nan 0.000 0.533 636 R N -1.387 118.883 120.500 -0.382 0.000 2.766 636 R HA 0.639 5.020 4.340 0.068 0.000 0.270 636 R C -0.858 175.439 176.300 -0.005 0.000 1.035 636 R CA -1.141 54.890 56.100 -0.115 0.000 0.911 636 R CB 0.502 30.786 30.300 -0.027 0.000 1.243 636 R HN -0.069 nan 8.270 nan 0.000 0.460 637 M N -0.043 119.557 119.600 0.001 0.000 2.336 637 M HA 0.542 5.063 4.480 0.068 0.000 0.256 637 M C 0.952 177.271 176.300 0.031 0.000 1.176 637 M CA 0.727 56.035 55.300 0.013 0.000 0.948 637 M CB 0.607 33.205 32.600 -0.004 0.000 1.393 637 M HN 1.046 nan 8.290 nan 0.000 0.528 638 G N 0.872 109.680 108.800 0.013 0.000 2.601 638 G HA2 -0.133 3.868 3.960 0.068 0.000 0.224 638 G HA3 -0.133 3.868 3.960 0.068 0.000 0.224 638 G C -0.870 174.024 174.900 -0.012 0.000 1.171 638 G CA -0.408 44.695 45.100 0.006 0.000 1.009 638 G HN 0.630 nan 8.290 nan 0.000 0.589 639 E N -1.266 118.917 120.200 -0.027 0.000 2.429 639 E HA 0.623 5.014 4.350 0.068 0.000 0.276 639 E C -0.543 175.987 176.600 -0.117 0.000 0.953 639 E CA -0.485 55.875 56.400 -0.066 0.000 0.787 639 E CB 2.958 32.631 29.700 -0.046 0.000 1.307 639 E HN 1.244 nan 8.360 nan 0.000 0.458 640 V N -1.934 117.876 119.914 -0.174 0.000 3.040 640 V HA 0.744 4.905 4.120 0.068 0.000 0.312 640 V C -0.561 175.449 176.094 -0.141 0.000 1.115 640 V CA -0.774 61.392 62.300 -0.224 0.000 0.998 640 V CB 1.941 33.489 31.823 -0.458 0.000 1.042 640 V HN 0.649 nan 8.190 nan 0.000 0.433 641 T N 2.146 116.634 114.554 -0.110 0.000 2.797 641 T HA 0.791 5.182 4.350 0.068 0.000 0.279 641 T C 0.263 174.921 174.700 -0.069 0.000 0.991 641 T CA 0.164 62.220 62.100 -0.073 0.000 0.979 641 T CB 1.486 70.324 68.868 -0.050 0.000 0.943 641 T HN 1.334 nan 8.240 nan 0.000 0.444 642 A N 2.174 124.959 122.820 -0.057 0.000 2.296 642 A HA 0.388 4.749 4.320 0.068 0.000 0.264 642 A C 1.578 179.141 177.584 -0.034 0.000 1.097 642 A CA -0.388 51.621 52.037 -0.047 0.000 0.811 642 A CB 0.051 19.026 19.000 -0.041 0.000 1.072 642 A HN 0.925 nan 8.150 nan 0.000 0.495 643 D N 0.157 120.540 120.400 -0.028 0.000 2.190 643 D HA -0.226 4.455 4.640 0.068 0.000 0.200 643 D C 0.668 176.956 176.300 -0.020 0.000 0.992 643 D CA 1.745 55.731 54.000 -0.022 0.000 0.854 643 D CB -0.299 40.489 40.800 -0.020 0.000 0.936 643 D HN 0.616 nan 8.370 nan 0.000 0.462 644 D N -1.355 119.032 120.400 -0.021 0.000 2.342 644 D HA 0.177 4.858 4.640 0.068 0.000 0.221 644 D C 1.628 177.917 176.300 -0.018 0.000 1.101 644 D CA 0.477 54.466 54.000 -0.019 0.000 0.837 644 D CB -0.175 40.615 40.800 -0.018 0.000 0.938 644 D HN 0.384 nan 8.370 nan 0.000 0.508 645 G N -0.092 108.696 108.800 -0.021 0.000 2.179 645 G HA2 -0.267 3.734 3.960 0.068 0.000 0.260 645 G HA3 -0.267 3.734 3.960 0.068 0.000 0.260 645 G C 0.377 175.264 174.900 -0.023 0.000 0.977 645 G CA 0.383 45.471 45.100 -0.021 0.000 0.641 645 G HN 0.447 nan 8.290 nan 0.000 0.533 646 T N 1.184 115.723 114.554 -0.025 0.000 2.870 646 T HA 0.432 4.823 4.350 0.068 0.000 0.300 646 T C 0.688 175.367 174.700 -0.034 0.000 0.989 646 T CA -0.077 62.008 62.100 -0.025 0.000 1.139 646 T CB 2.075 70.929 68.868 -0.023 0.000 0.920 646 T HN 0.388 nan 8.240 nan 0.000 0.537 647 V N 6.010 125.905 119.914 -0.031 0.000 2.427 647 V HA 0.251 4.412 4.120 0.068 0.000 0.268 647 V C 0.164 176.234 176.094 -0.040 0.000 1.046 647 V CA -0.292 61.986 62.300 -0.037 0.000 0.970 647 V CB 0.203 32.009 31.823 -0.028 0.000 1.001 647 V HN 0.671 nan 8.190 nan 0.000 0.476 648 L N 8.671 129.859 121.223 -0.059 0.000 2.298 648 L HA 0.478 4.859 4.340 0.068 0.000 0.284 648 L C -2.343 174.491 176.870 -0.059 0.000 1.013 648 L CA -1.791 53.015 54.840 -0.056 0.000 0.824 648 L CB 2.265 44.280 42.059 -0.072 0.000 1.221 648 L HN 0.430 nan 8.230 nan 0.000 0.418 649 P HA 0.233 nan 4.420 nan 0.000 0.280 649 P C -0.501 176.784 177.300 -0.025 0.000 1.244 649 P CA -0.145 62.938 63.100 -0.028 0.000 0.784 649 P CB 0.962 32.654 31.700 -0.014 0.000 0.913 650 I N 2.412 122.969 120.570 -0.023 0.000 2.352 650 I HA 0.159 4.370 4.170 0.068 0.000 0.290 650 I C 1.632 177.748 176.117 -0.002 0.000 1.036 650 I CA -0.298 60.994 61.300 -0.012 0.000 1.336 650 I CB 1.138 39.140 38.000 0.002 0.000 1.407 650 I HN 0.381 nan 8.210 nan 0.000 0.497 651 A N 5.472 128.295 122.820 0.005 0.000 1.929 651 A HA 0.448 4.809 4.320 0.068 0.000 0.216 651 A C 1.050 178.641 177.584 0.012 0.000 1.176 651 A CA 1.422 53.467 52.037 0.014 0.000 0.628 651 A CB -0.013 19.004 19.000 0.028 0.000 0.816 651 A HN 0.826 nan 8.150 nan 0.000 0.444 652 A N -2.397 120.425 122.820 0.002 0.000 2.540 652 A HA 0.577 4.938 4.320 0.068 0.000 0.291 652 A C -0.034 177.515 177.584 -0.058 0.000 1.083 652 A CA 0.106 52.140 52.037 -0.004 0.000 0.650 652 A CB -0.269 18.753 19.000 0.037 0.000 1.292 652 A HN 0.791 nan 8.150 nan 0.000 0.435 653 T N -1.881 112.628 114.554 -0.074 0.000 2.862 653 T HA 0.579 4.970 4.350 0.068 0.000 0.276 653 T C 0.789 175.444 174.700 -0.074 0.000 0.974 653 T CA -0.063 61.913 62.100 -0.208 0.000 0.966 653 T CB 0.056 68.829 68.868 -0.158 0.000 1.072 653 T HN 0.499 nan 8.240 nan 0.000 0.538 654 F N 0.698 120.671 119.950 0.038 0.000 2.095 654 F HA 0.061 4.629 4.527 0.068 0.000 0.298 654 F C 2.974 178.902 175.800 0.213 0.000 1.104 654 F CA 1.295 59.374 58.000 0.131 0.000 1.232 654 F CB -1.611 37.442 39.000 0.089 0.000 0.987 654 F HN 0.738 nan 8.300 nan 0.000 0.475 655 A N 0.194 123.180 122.820 0.276 0.000 1.969 655 A HA 0.048 4.409 4.320 0.068 0.000 0.218 655 A C 2.556 180.211 177.584 0.117 0.000 1.169 655 A CA 1.564 53.702 52.037 0.170 0.000 0.635 655 A CB -1.532 17.525 19.000 0.095 0.000 0.810 655 A HN 0.409 nan 8.150 nan 0.000 0.445 656 G N -0.990 107.865 108.800 0.092 0.000 2.448 656 G HA2 0.276 4.277 3.960 0.068 0.000 0.218 656 G HA3 0.276 4.277 3.960 0.068 0.000 0.218 656 G C 0.654 175.604 174.900 0.084 0.000 1.135 656 G CA 0.958 46.095 45.100 0.061 0.000 0.784 656 G HN 1.076 nan 8.290 nan 0.000 0.543 657 A N 0.837 123.743 122.820 0.142 0.000 3.030 657 A HA 0.702 5.063 4.320 0.068 0.000 0.335 657 A C -2.640 175.094 177.584 0.249 0.000 1.089 657 A CA -1.197 50.936 52.037 0.161 0.000 0.807 657 A CB 1.226 20.318 19.000 0.153 0.000 1.099 657 A HN 0.084 nan 8.150 nan 0.000 0.474 658 P HA 0.007 nan 4.420 nan 0.000 0.270 658 P C 1.385 178.512 177.300 -0.289 0.000 1.227 658 P CA 0.464 63.501 63.100 -0.105 0.000 0.788 658 P CB 0.689 32.315 31.700 -0.123 0.000 0.926 659 S N 0.867 116.027 115.700 -0.900 0.000 2.440 659 S HA -0.164 4.347 4.470 0.068 0.000 0.238 659 S C 1.783 176.234 174.600 -0.249 0.000 1.010 659 S CA 1.123 58.951 58.200 -0.620 0.000 0.972 659 S CB -1.387 61.374 63.200 -0.732 0.000 0.774 659 S HN 0.352 nan 8.310 nan 0.000 0.501 660 L N 1.854 122.933 121.223 -0.240 0.000 2.137 660 L HA -0.113 4.268 4.340 0.068 0.000 0.213 660 L C 2.895 179.577 176.870 -0.312 0.000 1.085 660 L CA 1.708 56.408 54.840 -0.232 0.000 0.760 660 L CB -1.642 40.257 42.059 -0.268 0.000 0.893 660 L HN 0.635 nan 8.230 nan 0.000 0.434 661 T N -3.086 111.335 114.554 -0.222 0.000 3.129 661 T HA 0.265 4.656 4.350 0.068 0.000 0.251 661 T C 0.326 175.064 174.700 0.063 0.000 1.117 661 T CA 0.121 62.120 62.100 -0.168 0.000 1.034 661 T CB -0.406 68.479 68.868 0.027 0.000 0.968 661 T HN 0.182 nan 8.240 nan 0.000 0.526 662 V N -2.878 117.062 119.914 0.042 0.000 3.155 662 V HA 0.585 4.746 4.120 0.068 0.000 0.313 662 V C -0.285 175.844 176.094 0.059 0.000 1.162 662 V CA -0.973 61.391 62.300 0.106 0.000 1.048 662 V CB 2.135 34.041 31.823 0.138 0.000 1.092 662 V HN 0.011 nan 8.190 nan 0.000 0.447 663 D N 0.751 121.192 120.400 0.069 0.000 2.392 663 D HA 0.526 5.207 4.640 0.068 0.000 0.206 663 D C 0.528 176.811 176.300 -0.029 0.000 1.046 663 D CA 1.379 55.394 54.000 0.025 0.000 0.865 663 D CB 1.596 42.435 40.800 0.064 0.000 0.969 663 D HN 0.988 nan 8.370 nan 0.000 0.509 664 A N 0.122 122.941 122.820 -0.001 0.000 2.586 664 A HA 0.553 4.914 4.320 0.068 0.000 0.290 664 A C -1.661 175.934 177.584 0.019 0.000 1.086 664 A CA -0.535 51.487 52.037 -0.025 0.000 0.665 664 A CB 1.508 20.483 19.000 -0.043 0.000 1.279 664 A HN -0.102 nan 8.150 nan 0.000 0.423 665 V N 0.858 120.773 119.914 0.003 0.000 2.638 665 V HA 0.562 4.723 4.120 0.068 0.000 0.306 665 V C -0.823 175.265 176.094 -0.011 0.000 1.052 665 V CA -0.171 62.139 62.300 0.018 0.000 0.885 665 V CB 1.539 33.391 31.823 0.048 0.000 0.999 665 V HN 0.693 nan 8.190 nan 0.000 0.424 666 I N 4.260 124.830 120.570 0.000 0.000 2.465 666 I HA 0.588 4.799 4.170 0.068 0.000 0.291 666 I C -0.827 175.302 176.117 0.020 0.000 1.014 666 I CA -0.978 60.347 61.300 0.042 0.000 1.093 666 I CB 2.278 40.336 38.000 0.097 0.000 1.267 666 I HN 0.287 nan 8.210 nan 0.000 0.431 667 V N 7.079 127.020 119.914 0.045 0.000 2.349 667 V HA 0.351 4.512 4.120 0.068 0.000 0.284 667 V C -2.231 173.912 176.094 0.080 0.000 1.014 667 V CA -1.658 60.655 62.300 0.022 0.000 0.826 667 V CB 1.139 32.933 31.823 -0.049 0.000 1.009 667 V HN 0.551 nan 8.190 nan 0.000 0.431 668 P HA 0.213 nan 4.420 nan 0.000 0.276 668 P C 0.223 177.538 177.300 0.025 0.000 1.244 668 P CA -0.275 62.836 63.100 0.018 0.000 0.801 668 P CB 1.073 32.777 31.700 0.006 0.000 1.006 669 C N 1.101 120.394 119.300 -0.012 0.000 2.705 669 C HA 0.659 5.160 4.460 0.068 0.000 0.348 669 C C 1.351 176.347 174.990 0.010 0.000 1.386 669 C CA 1.711 60.730 59.018 0.000 0.000 2.361 669 C CB -0.906 26.815 27.740 -0.031 0.000 2.486 669 C HN 0.915 nan 8.230 nan 0.000 0.728 670 G N 1.757 110.565 108.800 0.013 0.000 2.470 670 G HA2 0.040 4.041 3.960 0.068 0.000 0.145 670 G HA3 0.040 4.041 3.960 0.068 0.000 0.145 670 G C -0.990 173.922 174.900 0.019 0.000 1.223 670 G CA -0.026 45.081 45.100 0.012 0.000 1.058 670 G HN 0.836 nan 8.290 nan 0.000 0.469 671 N N 1.896 120.615 118.700 0.030 0.000 2.807 671 N HA 0.260 5.041 4.740 0.068 0.000 0.259 671 N C 1.613 177.154 175.510 0.053 0.000 1.149 671 N CA -0.490 52.580 53.050 0.033 0.000 1.042 671 N CB -0.129 38.380 38.487 0.036 0.000 1.367 671 N HN 0.358 nan 8.380 nan 0.000 0.516 672 I N 1.187 121.777 120.570 0.033 0.000 2.454 672 I HA -0.179 4.032 4.170 0.068 0.000 0.254 672 I C 2.035 178.147 176.117 -0.008 0.000 1.156 672 I CA 0.632 61.949 61.300 0.028 0.000 1.433 672 I CB -1.523 36.466 38.000 -0.019 0.000 1.082 672 I HN 0.485 nan 8.210 nan 0.000 0.432 673 A N 0.729 123.539 122.820 -0.016 0.000 2.024 673 A HA -0.281 4.080 4.320 0.068 0.000 0.220 673 A C 2.094 179.688 177.584 0.016 0.000 1.164 673 A CA 2.092 54.115 52.037 -0.023 0.000 0.643 673 A CB -0.722 18.270 19.000 -0.014 0.000 0.806 673 A HN 0.422 nan 8.150 nan 0.000 0.451 674 D N 0.306 120.742 120.400 0.059 0.000 2.149 674 D HA -0.148 4.533 4.640 0.068 0.000 0.198 674 D C 1.567 177.942 176.300 0.124 0.000 0.990 674 D CA 1.805 55.867 54.000 0.103 0.000 0.839 674 D CB -0.203 40.691 40.800 0.158 0.000 0.948 674 D HN 0.645 nan 8.370 nan 0.000 0.460 675 I N -3.713 116.945 120.570 0.148 0.000 4.181 675 I HA 0.458 4.669 4.170 0.068 0.000 0.331 675 I C 2.029 178.241 176.117 0.158 0.000 1.312 675 I CA 0.034 61.450 61.300 0.193 0.000 1.146 675 I CB -0.014 38.161 38.000 0.291 0.000 1.074 675 I HN -0.096 nan 8.210 nan 0.000 0.402 676 A N 1.877 124.684 122.820 -0.022 0.000 1.948 676 A HA -0.203 4.158 4.320 0.068 0.000 0.220 676 A C 1.588 179.111 177.584 -0.101 0.000 1.177 676 A CA 2.270 54.153 52.037 -0.257 0.000 0.636 676 A CB -0.602 18.213 19.000 -0.308 0.000 0.815 676 A HN 0.576 nan 8.150 nan 0.000 0.449 677 D N -0.696 119.691 120.400 -0.023 0.000 2.402 677 D HA 0.026 4.707 4.640 0.068 0.000 0.216 677 D C -0.021 176.301 176.300 0.037 0.000 1.128 677 D CA -0.233 53.768 54.000 0.001 0.000 0.833 677 D CB -0.270 40.525 40.800 -0.009 0.000 0.971 677 D HN 0.355 nan 8.370 nan 0.000 0.503 678 N N 1.370 120.111 118.700 0.068 0.000 2.420 678 N HA 0.025 4.806 4.740 0.068 0.000 0.262 678 N C 1.372 176.926 175.510 0.074 0.000 1.144 678 N CA 0.015 53.111 53.050 0.077 0.000 0.952 678 N CB 1.489 40.041 38.487 0.108 0.000 1.081 678 N HN 0.000 nan 8.380 nan 0.000 0.480 679 G N 3.584 112.425 108.800 0.067 0.000 2.491 679 G HA2 -0.287 3.714 3.960 0.068 0.000 0.218 679 G HA3 -0.287 3.714 3.960 0.068 0.000 0.218 679 G C 0.973 175.932 174.900 0.098 0.000 1.180 679 G CA 0.675 45.817 45.100 0.070 0.000 0.774 679 G HN 0.605 nan 8.290 nan 0.000 0.562 680 D N 0.923 121.389 120.400 0.110 0.000 2.123 680 D HA -0.042 4.638 4.640 0.068 0.000 0.196 680 D C 2.819 179.134 176.300 0.026 0.000 0.992 680 D CA 1.333 55.428 54.000 0.160 0.000 0.833 680 D CB -0.541 40.418 40.800 0.265 0.000 0.954 680 D HN 0.316 nan 8.370 nan 0.000 0.455 681 A N 0.927 123.615 122.820 -0.220 0.000 1.902 681 A HA -0.181 4.180 4.320 0.068 0.000 0.217 681 A C 2.016 179.441 177.584 -0.264 0.000 1.181 681 A CA 1.252 52.933 52.037 -0.594 0.000 0.623 681 A CB -0.451 18.135 19.000 -0.689 0.000 0.818 681 A HN 0.172 nan 8.150 nan 0.000 0.443 682 N N -1.540 117.148 118.700 -0.020 0.000 2.106 682 N HA -0.174 4.607 4.740 0.068 0.000 0.188 682 N C 1.723 177.233 175.510 -0.001 0.000 1.029 682 N CA 1.731 54.812 53.050 0.052 0.000 0.848 682 N CB -0.420 38.152 38.487 0.142 0.000 1.007 682 N HN 0.608 nan 8.380 nan 0.000 0.423 683 Y N 1.037 121.312 120.300 -0.041 0.000 2.224 683 Y HA -0.252 4.339 4.550 0.068 0.000 0.289 683 Y C 2.289 178.141 175.900 -0.080 0.000 1.146 683 Y CA 1.223 59.290 58.100 -0.055 0.000 1.182 683 Y CB -0.626 37.809 38.460 -0.042 0.000 0.983 683 Y HN 0.063 nan 8.280 nan 0.000 0.524 684 Y N 0.114 120.287 120.300 -0.212 0.000 2.102 684 Y HA -0.345 4.246 4.550 0.068 0.000 0.280 684 Y C 2.182 177.883 175.900 -0.332 0.000 1.178 684 Y CA 2.370 60.315 58.100 -0.259 0.000 1.146 684 Y CB -0.513 37.783 38.460 -0.272 0.000 0.968 684 Y HN 0.121 nan 8.280 nan 0.000 0.504 685 L N -1.196 119.944 121.223 -0.139 0.000 2.109 685 L HA -0.230 4.151 4.340 0.068 0.000 0.207 685 L C 2.396 179.139 176.870 -0.213 0.000 1.086 685 L CA 1.186 55.924 54.840 -0.170 0.000 0.760 685 L CB -0.517 41.404 42.059 -0.229 0.000 0.910 685 L HN 0.282 nan 8.230 nan 0.000 0.437 686 M N -0.479 118.938 119.600 -0.306 0.000 2.117 686 M HA -0.218 4.303 4.480 0.068 0.000 0.262 686 M C 2.257 178.298 176.300 -0.433 0.000 1.065 686 M CA 1.715 56.825 55.300 -0.317 0.000 1.114 686 M CB -0.407 31.986 32.600 -0.345 0.000 1.361 686 M HN 0.235 nan 8.290 nan 0.000 0.408 687 E N 0.725 120.486 120.200 -0.732 0.000 2.047 687 E HA -0.182 4.209 4.350 0.068 0.000 0.191 687 E C 2.037 178.258 176.600 -0.631 0.000 0.987 687 E CA 1.316 57.247 56.400 -0.783 0.000 0.799 687 E CB -0.000 29.201 29.700 -0.831 0.000 0.752 687 E HN 0.454 nan 8.360 nan 0.000 0.449 688 A N 0.296 122.870 122.820 -0.411 0.000 1.908 688 A HA -0.222 4.139 4.320 0.068 0.000 0.218 688 A C 2.059 179.540 177.584 -0.173 0.000 1.181 688 A CA 1.595 53.488 52.037 -0.239 0.000 0.627 688 A CB -0.945 17.977 19.000 -0.131 0.000 0.818 688 A HN 0.569 nan 8.150 nan 0.000 0.445 689 Y N 0.465 120.602 120.300 -0.272 0.000 2.163 689 Y HA -0.185 4.406 4.550 0.068 0.000 0.288 689 Y C 2.413 178.193 175.900 -0.200 0.000 1.136 689 Y CA 2.260 60.235 58.100 -0.209 0.000 1.147 689 Y CB -0.268 38.083 38.460 -0.181 0.000 0.987 689 Y HN 0.328 nan 8.280 nan 0.000 0.509 690 K N -0.501 119.784 120.400 -0.191 0.000 2.063 690 K HA -0.237 4.124 4.320 0.068 0.000 0.208 690 K C 1.130 177.642 176.600 -0.146 0.000 1.048 690 K CA 2.109 58.272 56.287 -0.208 0.000 0.928 690 K CB -0.502 31.837 32.500 -0.268 0.000 0.713 690 K HN 0.584 nan 8.250 nan 0.000 0.442 691 H N 0.689 119.643 119.070 -0.193 0.000 2.566 691 H HA 0.149 4.746 4.556 0.069 0.000 0.280 691 H C 0.045 175.213 175.328 -0.267 0.000 1.042 691 H CA 0.154 56.083 56.048 -0.198 0.000 1.168 691 H CB -0.062 29.581 29.762 -0.198 0.000 1.340 691 H HN 0.152 nan 8.280 nan 0.000 0.597 692 L N -0.136 120.942 121.223 -0.240 0.000 4.040 692 L HA -0.296 4.085 4.340 0.068 0.000 0.410 692 L C -0.276 176.339 176.870 -0.425 0.000 1.187 692 L CA 0.673 55.279 54.840 -0.390 0.000 0.956 692 L CB -1.777 40.026 42.059 -0.426 0.000 2.022 692 L HN 0.333 nan 8.230 nan 0.000 0.897 693 K N 0.777 120.992 120.400 -0.309 0.000 2.174 693 K HA 0.447 4.808 4.320 0.068 0.000 0.275 693 K C -2.135 174.334 176.600 -0.219 0.000 1.015 693 K CA -1.787 54.337 56.287 -0.271 0.000 0.933 693 K CB 0.662 33.053 32.500 -0.181 0.000 1.025 693 K HN -0.200 nan 8.250 nan 0.000 0.463 694 P HA 0.059 nan 4.420 nan 0.000 0.267 694 P C -0.782 176.451 177.300 -0.111 0.000 1.205 694 P CA 0.380 63.381 63.100 -0.165 0.000 0.765 694 P CB 0.402 32.002 31.700 -0.167 0.000 0.828 695 I N 2.195 122.713 120.570 -0.086 0.000 2.509 695 I HA 0.657 4.868 4.170 0.068 0.000 0.293 695 I C -0.151 175.913 176.117 -0.089 0.000 1.020 695 I CA -0.899 60.364 61.300 -0.060 0.000 1.088 695 I CB 2.188 40.177 38.000 -0.018 0.000 1.267 695 I HN 0.261 nan 8.210 nan 0.000 0.430 696 A N 7.438 130.211 122.820 -0.078 0.000 2.343 696 A HA 0.859 5.220 4.320 0.068 0.000 0.308 696 A C -1.125 176.536 177.584 0.127 0.000 1.092 696 A CA -0.437 51.532 52.037 -0.114 0.000 0.751 696 A CB 1.036 19.827 19.000 -0.349 0.000 1.203 696 A HN 0.662 nan 8.150 nan 0.000 0.452 697 L N 2.322 123.679 121.223 0.222 0.000 2.343 697 L HA 0.704 5.085 4.340 0.068 0.000 0.278 697 L C 0.310 177.378 176.870 0.330 0.000 0.996 697 L CA -0.548 54.440 54.840 0.246 0.000 0.831 697 L CB 1.896 44.047 42.059 0.152 0.000 1.232 697 L HN 0.786 nan 8.230 nan 0.000 0.413 698 A N 2.340 125.273 122.820 0.187 0.000 2.312 698 A HA 0.834 5.195 4.320 0.068 0.000 0.326 698 A C 0.761 178.341 177.584 -0.007 0.000 1.172 698 A CA 0.342 52.363 52.037 -0.027 0.000 0.821 698 A CB 1.068 19.904 19.000 -0.274 0.000 1.166 698 A HN 0.971 nan 8.150 nan 0.000 0.493 699 G N 1.800 110.583 108.800 -0.029 0.000 2.672 699 G HA2 -0.358 3.643 3.960 0.068 0.000 0.324 699 G HA3 -0.358 3.643 3.960 0.068 0.000 0.324 699 G C 0.553 175.459 174.900 0.011 0.000 1.286 699 G CA 0.931 46.021 45.100 -0.017 0.000 1.004 699 G HN 0.714 nan 8.290 nan 0.000 0.548 700 D N 1.280 121.682 120.400 0.004 0.000 2.351 700 D HA 0.194 4.875 4.640 0.068 0.000 0.216 700 D C 2.610 178.922 176.300 0.020 0.000 0.968 700 D CA 1.516 55.515 54.000 -0.002 0.000 0.899 700 D CB -0.672 40.118 40.800 -0.016 0.000 0.907 700 D HN 0.764 nan 8.370 nan 0.000 0.514 701 A N 0.617 123.488 122.820 0.086 0.000 2.076 701 A HA -0.193 4.168 4.320 0.068 0.000 0.220 701 A C 2.063 179.781 177.584 0.223 0.000 1.160 701 A CA 0.884 53.053 52.037 0.220 0.000 0.653 701 A CB -0.395 18.733 19.000 0.213 0.000 0.801 701 A HN 0.157 nan 8.150 nan 0.000 0.455 702 R N -0.465 120.103 120.500 0.114 0.000 2.241 702 R HA -0.080 4.301 4.340 0.068 0.000 0.224 702 R C 1.521 177.845 176.300 0.040 0.000 1.101 702 R CA 0.888 57.038 56.100 0.084 0.000 0.995 702 R CB -0.115 30.219 30.300 0.057 0.000 0.870 702 R HN 0.277 nan 8.270 nan 0.000 0.463 703 K N 0.081 120.466 120.400 -0.024 0.000 2.218 703 K HA -0.143 4.218 4.320 0.068 0.000 0.205 703 K C 1.422 177.946 176.600 -0.126 0.000 1.046 703 K CA 1.250 57.467 56.287 -0.116 0.000 0.933 703 K CB -0.215 32.148 32.500 -0.228 0.000 0.728 703 K HN 0.186 nan 8.250 nan 0.000 0.454 704 F N 1.328 121.250 119.950 -0.047 0.000 2.699 704 F HA -0.019 4.549 4.527 0.069 0.000 0.298 704 F C 1.850 177.597 175.800 -0.089 0.000 1.154 704 F CA 0.672 58.631 58.000 -0.068 0.000 1.457 704 F CB -0.085 38.874 39.000 -0.068 0.000 1.106 704 F HN -0.031 nan 8.300 nan 0.000 0.585 705 K N 0.026 120.470 120.400 0.074 0.000 2.209 705 K HA -0.127 4.234 4.320 0.068 0.000 0.204 705 K C 2.297 178.870 176.600 -0.046 0.000 1.048 705 K CA 1.069 57.349 56.287 -0.011 0.000 0.940 705 K CB -0.310 32.184 32.500 -0.011 0.000 0.729 705 K HN 0.244 nan 8.250 nan 0.000 0.451 706 A N 0.870 123.671 122.820 -0.031 0.000 1.969 706 A HA -0.116 4.245 4.320 0.068 0.000 0.218 706 A C 2.103 179.660 177.584 -0.045 0.000 1.169 706 A CA 1.691 53.702 52.037 -0.044 0.000 0.635 706 A CB -0.720 18.253 19.000 -0.046 0.000 0.810 706 A HN 0.230 nan 8.150 nan 0.000 0.445 707 T N 1.071 115.615 114.554 -0.018 0.000 2.708 707 T HA -0.117 4.274 4.350 0.068 0.000 0.266 707 T C 1.380 176.022 174.700 -0.097 0.000 1.037 707 T CA 1.610 63.701 62.100 -0.014 0.000 1.146 707 T CB -0.555 68.353 68.868 0.067 0.000 0.865 707 T HN 0.667 nan 8.240 nan 0.000 0.435 708 I N -1.252 119.208 120.570 -0.184 0.000 3.864 708 I HA 0.361 4.571 4.170 0.068 0.000 0.326 708 I C -0.303 175.597 176.117 -0.360 0.000 1.444 708 I CA -0.539 60.520 61.300 -0.402 0.000 1.195 708 I CB -0.366 37.198 38.000 -0.726 0.000 1.124 708 I HN -0.180 nan 8.210 nan 0.000 0.407 709 K N 1.399 121.690 120.400 -0.181 0.000 3.213 709 K HA -0.140 4.221 4.320 0.068 0.000 0.266 709 K C -0.633 175.902 176.600 -0.109 0.000 0.911 709 K CA 0.776 56.997 56.287 -0.110 0.000 0.684 709 K CB -1.607 30.852 32.500 -0.069 0.000 1.402 709 K HN 0.632 nan 8.250 nan 0.000 0.465 710 I N -0.586 119.911 120.570 -0.121 0.000 2.828 710 I HA 0.425 4.636 4.170 0.068 0.000 0.302 710 I C 0.002 176.096 176.117 -0.039 0.000 1.101 710 I CA -0.831 60.425 61.300 -0.074 0.000 1.031 710 I CB 1.767 39.698 38.000 -0.115 0.000 1.231 710 I HN 0.264 nan 8.210 nan 0.000 0.427 711 A N 3.788 126.600 122.820 -0.013 0.000 2.622 711 A HA -0.147 4.214 4.320 0.068 0.000 0.236 711 A C 0.554 178.135 177.584 -0.006 0.000 1.003 711 A CA 0.811 52.845 52.037 -0.004 0.000 0.781 711 A CB -0.251 18.752 19.000 0.005 0.000 0.902 711 A HN 0.859 nan 8.150 nan 0.000 0.496 712 D N 0.416 120.813 120.400 -0.005 0.000 2.183 712 D HA -0.101 4.580 4.640 0.068 0.000 0.203 712 D C 1.741 178.041 176.300 0.001 0.000 0.969 712 D CA 1.262 55.259 54.000 -0.005 0.000 0.842 712 D CB 0.092 40.888 40.800 -0.007 0.000 0.957 712 D HN 0.581 nan 8.370 nan 0.000 0.484 713 Q N 0.416 120.218 119.800 0.002 0.000 2.432 713 Q HA 0.147 4.528 4.340 0.068 0.000 0.205 713 Q C 0.749 176.753 176.000 0.007 0.000 0.945 713 Q CA 0.690 56.496 55.803 0.005 0.000 0.924 713 Q CB 0.197 28.938 28.738 0.004 0.000 1.016 713 Q HN 0.257 nan 8.270 nan 0.000 0.503 714 G N 0.987 109.790 108.800 0.006 0.000 2.603 714 G HA2 -0.159 3.842 3.960 0.068 0.000 0.686 714 G HA3 -0.159 3.842 3.960 0.068 0.000 0.686 714 G C -1.296 173.610 174.900 0.009 0.000 1.286 714 G CA -0.178 44.927 45.100 0.008 0.000 0.871 714 G HN 0.209 nan 8.290 nan 0.000 0.568 715 E N -0.520 119.685 120.200 0.009 0.000 2.354 715 E HA 0.412 4.803 4.350 0.068 0.000 0.283 715 E C -0.399 176.200 176.600 -0.002 0.000 0.938 715 E CA -0.602 55.806 56.400 0.014 0.000 0.777 715 E CB 1.309 31.034 29.700 0.043 0.000 1.222 715 E HN 0.617 nan 8.360 nan 0.000 0.423 716 E N 1.255 121.446 120.200 -0.015 0.000 2.558 716 E HA 0.178 4.569 4.350 0.068 0.000 0.255 716 E C 0.722 177.286 176.600 -0.060 0.000 0.968 716 E CA 1.936 58.312 56.400 -0.040 0.000 0.939 716 E CB 0.466 30.141 29.700 -0.042 0.000 0.921 716 E HN 0.814 nan 8.360 nan 0.000 0.477 717 G N 3.281 112.030 108.800 -0.085 0.000 2.232 717 G HA2 -0.202 3.799 3.960 0.068 0.000 0.226 717 G HA3 -0.202 3.799 3.960 0.068 0.000 0.226 717 G C 0.029 174.882 174.900 -0.078 0.000 0.996 717 G CA -0.368 44.663 45.100 -0.114 0.000 0.626 717 G HN 0.421 nan 8.290 nan 0.000 0.509 718 I N 2.011 122.556 120.570 -0.042 0.000 2.362 718 I HA 0.547 4.758 4.170 0.068 0.000 0.289 718 I C 0.371 176.444 176.117 -0.073 0.000 0.994 718 I CA -1.291 59.989 61.300 -0.034 0.000 1.158 718 I CB 1.290 39.296 38.000 0.011 0.000 1.315 718 I HN -0.095 nan 8.210 nan 0.000 0.451 719 V N 7.353 127.186 119.914 -0.135 0.000 2.439 719 V HA 0.444 4.605 4.120 0.068 0.000 0.282 719 V C 0.115 176.143 176.094 -0.111 0.000 1.039 719 V CA -0.388 61.778 62.300 -0.224 0.000 0.913 719 V CB 1.468 33.000 31.823 -0.486 0.000 0.983 719 V HN 0.895 nan 8.190 nan 0.000 0.460 720 E N 4.353 124.566 120.200 0.022 0.000 2.352 720 E HA 0.861 5.252 4.350 0.068 0.000 0.280 720 E C -1.062 175.683 176.600 0.242 0.000 0.930 720 E CA -0.912 55.598 56.400 0.184 0.000 0.765 720 E CB 2.444 32.206 29.700 0.104 0.000 1.219 720 E HN 0.812 nan 8.360 nan 0.000 0.434 721 A N 1.848 124.830 122.820 0.270 0.000 2.540 721 A HA 0.368 4.729 4.320 0.068 0.000 0.291 721 A C -0.584 177.028 177.584 0.046 0.000 1.083 721 A CA -0.556 51.577 52.037 0.160 0.000 0.650 721 A CB 1.055 20.182 19.000 0.212 0.000 1.292 721 A HN 0.591 nan 8.150 nan 0.000 0.435 722 D N 0.423 120.826 120.400 0.005 0.000 2.144 722 D HA 0.044 4.725 4.640 0.068 0.000 0.200 722 D C 1.096 177.344 176.300 -0.086 0.000 0.978 722 D CA 2.292 56.276 54.000 -0.028 0.000 0.833 722 D CB 0.033 40.819 40.800 -0.024 0.000 0.961 722 D HN 0.754 nan 8.370 nan 0.000 0.470 723 S N -1.552 114.062 115.700 -0.144 0.000 2.685 723 S HA 0.673 5.184 4.470 0.068 0.000 0.282 723 S C -0.312 173.974 174.600 -0.523 0.000 1.159 723 S CA -0.711 57.340 58.200 -0.249 0.000 0.833 723 S CB 2.066 65.167 63.200 -0.165 0.000 1.151 723 S HN -0.013 nan 8.310 nan 0.000 0.485 724 A N 1.323 123.756 122.820 -0.646 0.000 3.117 724 A HA 0.355 4.716 4.320 0.068 0.000 0.255 724 A C 0.734 178.094 177.584 -0.373 0.000 1.583 724 A CA -0.103 51.318 52.037 -1.026 0.000 1.234 724 A CB -1.707 16.864 19.000 -0.715 0.000 1.076 724 A HN 0.849 nan 8.150 nan 0.000 0.653 725 D N 0.411 120.693 120.400 -0.197 0.000 1.794 725 D HA 0.095 4.776 4.640 0.068 0.000 0.292 725 D C 1.615 177.941 176.300 0.043 0.000 1.061 725 D CA 1.031 55.007 54.000 -0.041 0.000 0.940 725 D CB -0.738 40.049 40.800 -0.021 0.000 1.238 725 D HN 0.074 nan 8.370 nan 0.000 0.432 726 G N -1.167 107.664 108.800 0.052 0.000 2.439 726 G HA2 -0.121 3.880 3.960 0.068 0.000 0.212 726 G HA3 -0.121 3.880 3.960 0.068 0.000 0.212 726 G C 1.601 176.551 174.900 0.083 0.000 1.199 726 G CA 1.129 46.263 45.100 0.057 0.000 0.807 726 G HN 0.553 nan 8.290 nan 0.000 0.537 727 S N -0.527 115.228 115.700 0.092 0.000 2.496 727 S HA 0.063 4.574 4.470 0.068 0.000 0.224 727 S C 2.007 176.677 174.600 0.116 0.000 0.996 727 S CA 0.628 58.877 58.200 0.081 0.000 0.927 727 S CB -0.334 62.901 63.200 0.057 0.000 0.774 727 S HN 0.263 nan 8.310 nan 0.000 0.524 728 F N 2.465 122.413 119.950 -0.005 0.000 2.095 728 F HA -0.032 4.536 4.527 0.068 0.000 0.298 728 F C 2.107 177.902 175.800 -0.008 0.000 1.104 728 F CA 1.771 59.767 58.000 -0.006 0.000 1.232 728 F CB -0.279 38.719 39.000 -0.004 0.000 0.987 728 F HN 0.194 nan 8.300 nan 0.000 0.475 729 M N 0.134 119.874 119.600 0.234 0.000 2.254 729 M HA -0.148 4.373 4.480 0.068 0.000 0.265 729 M C 1.735 178.039 176.300 0.008 0.000 1.066 729 M CA 1.231 56.599 55.300 0.112 0.000 1.123 729 M CB -1.300 31.386 32.600 0.143 0.000 1.388 729 M HN 0.151 nan 8.290 nan 0.000 0.425 730 D N 0.432 120.842 120.400 0.015 0.000 2.117 730 D HA -0.128 4.553 4.640 0.068 0.000 0.198 730 D C 1.952 178.228 176.300 -0.041 0.000 0.982 730 D CA 1.094 55.090 54.000 -0.007 0.000 0.828 730 D CB -0.127 40.676 40.800 0.005 0.000 0.967 730 D HN 0.463 nan 8.370 nan 0.000 0.464 731 E N 0.486 120.647 120.200 -0.064 0.000 2.077 731 E HA -0.130 4.261 4.350 0.068 0.000 0.193 731 E C 2.147 178.663 176.600 -0.141 0.000 0.989 731 E CA 0.217 56.557 56.400 -0.100 0.000 0.800 731 E CB -0.029 29.595 29.700 -0.127 0.000 0.746 731 E HN 0.158 nan 8.360 nan 0.000 0.452 732 L N 0.940 122.047 121.223 -0.194 0.000 2.017 732 L HA -0.179 4.202 4.340 0.068 0.000 0.208 732 L C 2.162 178.965 176.870 -0.111 0.000 1.073 732 L CA 1.581 56.306 54.840 -0.191 0.000 0.745 732 L CB -0.399 41.521 42.059 -0.232 0.000 0.894 732 L HN 0.229 nan 8.230 nan 0.000 0.432 733 L N -0.764 120.414 121.223 -0.075 0.000 2.141 733 L HA -0.172 4.209 4.340 0.068 0.000 0.209 733 L C 2.443 179.288 176.870 -0.040 0.000 1.094 733 L CA 1.245 56.057 54.840 -0.046 0.000 0.763 733 L CB -0.721 41.322 42.059 -0.027 0.000 0.908 733 L HN 0.228 nan 8.230 nan 0.000 0.437 734 T N 0.186 114.713 114.554 -0.045 0.000 2.708 734 T HA -0.138 4.253 4.350 0.068 0.000 0.266 734 T C 1.975 176.645 174.700 -0.051 0.000 1.037 734 T CA 1.175 63.254 62.100 -0.037 0.000 1.146 734 T CB -0.210 68.636 68.868 -0.036 0.000 0.865 734 T HN 0.181 nan 8.240 nan 0.000 0.435 735 L N 0.387 121.561 121.223 -0.082 0.000 2.042 735 L HA -0.113 4.268 4.340 0.068 0.000 0.210 735 L C 2.714 179.521 176.870 -0.104 0.000 1.076 735 L CA 1.400 56.172 54.840 -0.112 0.000 0.749 735 L CB -0.550 41.423 42.059 -0.144 0.000 0.893 735 L HN 0.333 nan 8.230 nan 0.000 0.432 736 M N -0.808 118.746 119.600 -0.077 0.000 2.159 736 M HA -0.170 4.351 4.480 0.068 0.000 0.263 736 M C 2.427 178.731 176.300 0.006 0.000 1.063 736 M CA 1.723 56.996 55.300 -0.045 0.000 1.110 736 M CB -0.531 32.052 32.600 -0.029 0.000 1.374 736 M HN 0.301 nan 8.290 nan 0.000 0.411 737 A N 0.269 123.094 122.820 0.008 0.000 2.067 737 A HA 0.094 4.455 4.320 0.068 0.000 0.219 737 A C 2.123 179.749 177.584 0.070 0.000 1.158 737 A CA 1.604 53.665 52.037 0.039 0.000 0.661 737 A CB -0.585 18.432 19.000 0.028 0.000 0.801 737 A HN 0.497 nan 8.150 nan 0.000 0.452 738 A N -2.554 120.287 122.820 0.036 0.000 2.307 738 A HA 0.380 4.741 4.320 0.068 0.000 0.218 738 A C 0.888 178.510 177.584 0.064 0.000 1.228 738 A CA 1.119 53.192 52.037 0.060 0.000 0.857 738 A CB -0.483 18.515 19.000 -0.004 0.000 0.897 738 A HN 0.879 nan 8.150 nan 0.000 0.495 739 H N -1.109 117.914 119.070 -0.079 0.000 4.891 739 H HA -0.198 4.399 4.556 0.068 0.000 0.059 739 H C 0.066 175.185 175.328 -0.347 0.000 0.587 739 H CA 2.441 58.421 56.048 -0.113 0.000 0.970 739 H CB -0.543 29.253 29.762 0.058 0.000 0.535 739 H HN 0.447 nan 8.280 nan 0.000 0.802 740 R N -0.229 119.755 120.500 -0.859 0.000 2.837 740 R HA 0.589 4.970 4.340 0.068 0.000 0.271 740 R C -0.622 174.833 176.300 -1.409 0.000 0.993 740 R CA -0.295 55.016 56.100 -1.315 0.000 0.931 740 R CB 1.832 30.986 30.300 -1.911 0.000 1.206 740 R HN 0.105 nan 8.270 nan 0.000 0.474 741 V N 2.692 122.007 119.914 -0.997 0.000 2.162 741 V HA 0.090 4.251 4.120 0.068 0.000 0.255 741 V C 0.781 176.505 176.094 -0.617 0.000 1.304 741 V CA -0.392 61.498 62.300 -0.684 0.000 1.198 741 V CB -0.489 31.073 31.823 -0.435 0.000 1.333 741 V HN 0.713 nan 8.190 nan 0.000 0.493 742 W N 1.473 122.498 121.300 -0.457 0.000 2.350 742 W HA -0.220 4.481 4.660 0.068 0.000 0.289 742 W C 2.560 178.867 176.519 -0.353 0.000 1.215 742 W CA 0.943 57.921 57.345 -0.612 0.000 1.236 742 W CB -0.432 28.291 29.460 -1.229 0.000 1.130 742 W HN 0.644 nan 8.180 nan 0.000 0.541 743 S N 0.715 116.374 115.700 -0.068 0.000 2.507 743 S HA -0.153 4.358 4.470 0.068 0.000 0.235 743 S C 1.706 176.270 174.600 -0.060 0.000 0.988 743 S CA 0.941 59.118 58.200 -0.038 0.000 0.944 743 S CB -0.384 62.793 63.200 -0.039 0.000 0.762 743 S HN 0.417 nan 8.310 nan 0.000 0.526 744 R N 0.467 120.891 120.500 -0.126 0.000 2.297 744 R HA 0.287 4.668 4.340 0.068 0.000 0.197 744 R C 1.665 177.899 176.300 -0.109 0.000 0.943 744 R CA 0.195 56.201 56.100 -0.157 0.000 1.038 744 R CB -0.327 29.779 30.300 -0.323 0.000 0.957 744 R HN 0.472 nan 8.270 nan 0.000 0.484 745 I N 2.124 122.670 120.570 -0.039 0.000 2.113 745 I HA -0.257 3.954 4.170 0.068 0.000 0.242 745 I C -0.783 175.360 176.117 0.043 0.000 1.064 745 I CA 1.546 62.867 61.300 0.036 0.000 1.320 745 I CB -0.933 37.138 38.000 0.117 0.000 1.028 745 I HN 0.176 nan 8.210 nan 0.000 0.406 746 P HA -0.178 nan 4.420 nan 0.000 0.218 746 P C 1.186 178.513 177.300 0.046 0.000 1.148 746 P CA 1.603 64.732 63.100 0.048 0.000 0.822 746 P CB -0.090 31.636 31.700 0.043 0.000 0.784 747 K N -0.313 120.109 120.400 0.037 0.000 2.296 747 K HA 0.032 4.393 4.320 0.068 0.000 0.200 747 K C 2.049 178.700 176.600 0.084 0.000 1.048 747 K CA 0.780 57.107 56.287 0.066 0.000 0.966 747 K CB -0.529 32.030 32.500 0.098 0.000 0.754 747 K HN 0.303 nan 8.250 nan 0.000 0.466 748 I N -1.781 118.813 120.570 0.039 0.000 2.928 748 I HA -0.033 4.178 4.170 0.068 0.000 0.266 748 I C 0.722 176.878 176.117 0.066 0.000 1.234 748 I CA 1.096 62.423 61.300 0.046 0.000 1.483 748 I CB 0.038 38.022 38.000 -0.026 0.000 1.097 748 I HN -0.120 nan 8.210 nan 0.000 0.455 749 D N 1.723 122.165 120.400 0.069 0.000 2.363 749 D HA -0.050 4.631 4.640 0.068 0.000 0.226 749 D C 1.767 178.107 176.300 0.067 0.000 1.020 749 D CA 0.564 54.608 54.000 0.073 0.000 0.892 749 D CB 0.102 40.951 40.800 0.082 0.000 0.900 749 D HN 0.442 nan 8.370 nan 0.000 0.531 750 K N 0.612 121.052 120.400 0.066 0.000 2.334 750 K HA 0.027 4.388 4.320 0.068 0.000 0.195 750 K C 0.464 177.097 176.600 0.056 0.000 1.045 750 K CA -0.122 56.199 56.287 0.057 0.000 1.004 750 K CB 0.475 33.007 32.500 0.053 0.000 0.837 750 K HN 0.099 nan 8.250 nan 0.000 0.510 751 I N 1.990 122.601 120.570 0.067 0.000 2.618 751 I HA 0.140 4.351 4.170 0.068 0.000 0.284 751 I C -2.342 173.808 176.117 0.054 0.000 1.146 751 I CA -2.405 58.930 61.300 0.059 0.000 1.425 751 I CB -0.197 37.849 38.000 0.075 0.000 1.383 751 I HN -0.088 nan 8.210 nan 0.000 0.562 752 P HA 0.526 nan 4.420 nan 0.000 0.266 752 P C -0.782 176.572 177.300 0.091 0.000 1.586 752 P CA 0.025 63.163 63.100 0.062 0.000 1.088 752 P CB 0.519 32.249 31.700 0.051 0.000 1.584 753 A N 0.000 122.877 122.820 0.095 0.000 2.254 753 A HA 0.000 4.361 4.320 0.068 0.000 0.244 753 A CA 0.000 52.134 52.037 0.161 0.000 0.836 753 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486