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 2v63_1_A DATA FIRST_RESID 9 DATA SEQUENCE AGAGFKAGVK DYRLTYYTPD YVVRDTDILA AFRMTPQPGV PPEECGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTSLD RYKGRCYDIE PVPGEDNQYI AYVAYXIDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPPAYVKTF VGXPHGIQVE DATA SEQUENCE RDKLNKYGRG LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFVAEAIYKA QAETGEVKGH YLNATAGTCE EMMKRAVXAK DATA SEQUENCE ELGVPIIMHD YLTGGFTANT SLAIYCRDNG LLLHIHRAMH AVIDRQRNHG DATA SEQUENCE IHFRVLAKAL RMSGGDHLHS GTAVGKLEGE REVTLGFVDL MRDDYVEKDR DATA SEQUENCE SRGIYFTQDW XSMPGVMPVA SGGIHVWHMP ALVEIFGDDA CLQFGGGTLG DATA SEQUENCE HPWGNAPGAA ANRVALEACT QARNEGRDLA REGGDVIRSA CKWSPELAAA DATA SEQUENCE CEVWKEIKFE FDTIDK 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.590 177.584 0.009 0.000 1.274 9 A CA 0.000 52.039 52.037 0.004 0.000 0.836 9 A CB 0.000 19.000 19.000 0.001 0.000 0.831 10 G N 0.803 109.612 108.800 0.015 0.000 2.491 10 G HA2 0.675 4.635 3.960 -0.000 0.000 0.242 10 G HA3 0.675 4.635 3.960 -0.000 0.000 0.242 10 G C 0.212 175.128 174.900 0.027 0.000 1.266 10 G CA 0.526 45.641 45.100 0.025 0.000 0.844 10 G HN 2.006 nan 8.290 nan 0.000 0.571 11 A N 0.814 123.657 122.820 0.038 0.000 2.413 11 A HA 0.869 5.189 4.320 -0.000 0.000 0.307 11 A C 0.479 178.103 177.584 0.066 0.000 1.087 11 A CA -0.072 51.989 52.037 0.040 0.000 0.750 11 A CB 1.454 20.473 19.000 0.031 0.000 1.296 11 A HN 1.511 nan 8.150 nan 0.000 0.423 12 G N -0.065 108.770 108.800 0.058 0.000 2.432 12 G HA2 0.402 4.362 3.960 -0.000 0.000 0.239 12 G HA3 0.402 4.362 3.960 -0.000 0.000 0.239 12 G C -0.101 174.880 174.900 0.135 0.000 1.291 12 G CA -0.154 44.997 45.100 0.084 0.000 0.863 12 G HN 0.892 nan 8.290 nan 0.000 0.560 13 F N 2.419 122.391 119.950 0.037 0.000 2.571 13 F HA 0.263 4.790 4.527 -0.000 0.000 0.384 13 F C 0.613 176.429 175.800 0.027 0.000 1.058 13 F CA -0.298 57.733 58.000 0.053 0.000 1.200 13 F CB 0.656 39.717 39.000 0.102 0.000 1.077 13 F HN 0.270 nan 8.300 nan 0.000 0.558 14 K N 6.607 126.749 120.400 -0.430 0.000 2.507 14 K HA 0.610 4.930 4.320 -0.000 0.000 0.253 14 K C -0.783 175.396 176.600 -0.701 0.000 0.969 14 K CA -0.676 55.289 56.287 -0.538 0.000 0.908 14 K CB 1.065 33.432 32.500 -0.221 0.000 1.127 14 K HN 0.818 nan 8.250 nan 0.000 0.437 15 A N 2.589 124.849 122.820 -0.933 0.000 2.445 15 A HA 0.606 4.926 4.320 -0.000 0.000 0.242 15 A C 0.469 177.914 177.584 -0.231 0.000 1.075 15 A CA 0.878 52.603 52.037 -0.519 0.000 0.777 15 A CB 0.107 18.910 19.000 -0.329 0.000 1.013 15 A HN 0.994 nan 8.150 nan 0.000 0.493 16 G N -0.898 107.821 108.800 -0.135 0.000 2.381 16 G HA2 0.329 4.289 3.960 -0.000 0.000 0.672 16 G HA3 0.329 4.289 3.960 -0.000 0.000 0.672 16 G C -0.996 173.838 174.900 -0.109 0.000 1.324 16 G CA -0.421 44.619 45.100 -0.101 0.000 0.975 16 G HN 1.411 nan 8.290 nan 0.000 0.593 17 V N 1.527 121.403 119.914 -0.064 0.000 2.465 17 V HA 0.673 4.793 4.120 -0.000 0.000 0.279 17 V C 0.643 176.703 176.094 -0.057 0.000 1.045 17 V CA 0.471 62.737 62.300 -0.057 0.000 0.938 17 V CB 1.193 33.049 31.823 0.055 0.000 0.986 17 V HN 1.062 nan 8.190 nan 0.000 0.467 18 K N 1.903 122.248 120.400 -0.092 0.000 2.466 18 K HA 0.622 4.942 4.320 -0.000 0.000 0.260 18 K C -1.372 175.161 176.600 -0.112 0.000 1.011 18 K CA -1.074 55.169 56.287 -0.072 0.000 0.871 18 K CB 1.714 34.184 32.500 -0.050 0.000 1.404 18 K HN 0.322 nan 8.250 nan 0.000 0.450 19 D N 1.070 121.438 120.400 -0.053 0.000 2.455 19 D HA 0.022 4.662 4.640 -0.000 0.000 0.241 19 D C 0.549 176.858 176.300 0.014 0.000 1.138 19 D CA 0.215 54.200 54.000 -0.024 0.000 0.877 19 D CB 0.210 41.028 40.800 0.030 0.000 1.187 19 D HN 0.447 nan 8.370 nan 0.000 0.451 20 Y N 1.570 121.924 120.300 0.090 0.000 2.207 20 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 20 Y C 2.411 178.431 175.900 0.199 0.000 1.156 20 Y CA 1.321 59.512 58.100 0.152 0.000 1.182 20 Y CB -0.273 38.210 38.460 0.038 0.000 0.979 20 Y HN 0.471 nan 8.280 nan 0.000 0.521 21 R N 0.500 121.161 120.500 0.268 0.000 2.200 21 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 21 R C 1.697 178.115 176.300 0.195 0.000 1.127 21 R CA 1.673 57.906 56.100 0.222 0.000 0.989 21 R CB -1.111 29.255 30.300 0.111 0.000 0.869 21 R HN 0.366 nan 8.270 nan 0.000 0.459 22 L N 0.762 122.065 121.223 0.134 0.000 2.191 22 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 22 L C 1.572 178.455 176.870 0.022 0.000 1.103 22 L CA 1.556 56.438 54.840 0.071 0.000 0.769 22 L CB -0.212 41.871 42.059 0.040 0.000 0.908 22 L HN 0.323 nan 8.230 nan 0.000 0.438 23 T N -3.205 111.356 114.554 0.011 0.000 2.999 23 T HA 0.051 4.401 4.350 -0.000 0.000 0.247 23 T C 0.964 175.454 174.700 -0.350 0.000 1.012 23 T CA 0.273 62.230 62.100 -0.239 0.000 1.048 23 T CB 0.150 68.754 68.868 -0.441 0.000 1.020 23 T HN 0.126 nan 8.240 nan 0.000 0.478 24 Y N -0.317 120.027 120.300 0.074 0.000 2.481 24 Y HA 0.421 4.971 4.550 -0.000 0.000 0.247 24 Y C -0.051 175.900 175.900 0.086 0.000 1.151 24 Y CA -1.181 56.946 58.100 0.044 0.000 1.238 24 Y CB 0.491 38.975 38.460 0.040 0.000 1.179 24 Y HN 0.168 nan 8.280 nan 0.000 0.524 25 Y N 2.166 122.517 120.300 0.083 0.000 2.417 25 Y HA 0.423 4.973 4.550 -0.000 0.000 0.336 25 Y C -0.001 175.918 175.900 0.032 0.000 0.961 25 Y CA -1.479 56.649 58.100 0.047 0.000 1.215 25 Y CB 0.735 39.217 38.460 0.037 0.000 1.120 25 Y HN 0.034 nan 8.280 nan 0.000 0.499 26 T N 5.496 119.856 114.554 -0.324 0.000 3.410 26 T HA 0.280 4.630 4.350 -0.000 0.000 0.328 26 T C -2.332 172.217 174.700 -0.251 0.000 1.567 26 T CA -1.826 60.120 62.100 -0.257 0.000 1.626 26 T CB 1.022 69.818 68.868 -0.119 0.000 0.939 26 T HN 0.462 nan 8.240 nan 0.000 0.656 27 P HA 0.038 nan 4.420 nan 0.000 0.228 27 P C 0.195 177.462 177.300 -0.054 0.000 1.151 27 P CA 0.763 63.692 63.100 -0.285 0.000 0.770 27 P CB 0.231 31.713 31.700 -0.363 0.000 0.786 28 D N -2.002 118.374 120.400 -0.040 0.000 2.363 28 D HA 0.014 4.654 4.640 -0.000 0.000 0.214 28 D C 0.355 176.675 176.300 0.033 0.000 1.093 28 D CA -0.368 53.631 54.000 -0.002 0.000 0.837 28 D CB -0.541 40.248 40.800 -0.019 0.000 0.948 28 D HN 0.184 nan 8.370 nan 0.000 0.507 29 Y N 1.782 122.045 120.300 -0.062 0.000 2.526 29 Y HA 0.131 4.681 4.550 -0.000 0.000 0.330 29 Y C -0.152 175.677 175.900 -0.118 0.000 1.156 29 Y CA -0.199 57.851 58.100 -0.084 0.000 1.419 29 Y CB 0.604 39.017 38.460 -0.077 0.000 1.250 29 Y HN -0.326 nan 8.280 nan 0.000 0.540 30 V N 8.548 128.031 119.914 -0.718 0.000 2.364 30 V HA 0.210 4.330 4.120 -0.000 0.000 0.272 30 V C -0.251 175.197 176.094 -1.076 0.000 1.036 30 V CA -0.815 61.089 62.300 -0.659 0.000 0.880 30 V CB 0.749 32.343 31.823 -0.382 0.000 0.991 30 V HN 0.743 nan 8.190 nan 0.000 0.460 31 V N 4.337 123.766 119.914 -0.808 0.000 2.763 31 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 31 V C 0.450 176.318 176.094 -0.376 0.000 1.059 31 V CA -0.469 61.460 62.300 -0.618 0.000 1.138 31 V CB 0.143 31.689 31.823 -0.462 0.000 0.940 31 V HN 0.837 nan 8.190 nan 0.000 0.489 32 R N 2.701 123.072 120.500 -0.214 0.000 2.500 32 R HA 0.330 4.670 4.340 -0.000 0.000 0.277 32 R C 0.200 176.453 176.300 -0.079 0.000 1.026 32 R CA -0.611 55.417 56.100 -0.120 0.000 1.058 32 R CB 0.778 31.053 30.300 -0.042 0.000 1.078 32 R HN 0.763 nan 8.270 nan 0.000 0.509 33 D N 0.562 120.925 120.400 -0.061 0.000 2.371 33 D HA -0.089 4.551 4.640 -0.000 0.000 0.221 33 D C 1.406 177.692 176.300 -0.025 0.000 0.986 33 D CA 1.308 55.282 54.000 -0.043 0.000 0.899 33 D CB 0.145 40.928 40.800 -0.028 0.000 0.902 33 D HN 0.627 nan 8.370 nan 0.000 0.530 34 T N -2.726 111.822 114.554 -0.010 0.000 3.060 34 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 34 T C 0.531 175.240 174.700 0.016 0.000 1.079 34 T CA -0.488 61.620 62.100 0.013 0.000 1.013 34 T CB 0.359 69.246 68.868 0.033 0.000 0.975 34 T HN -0.241 nan 8.240 nan 0.000 0.518 35 D N 1.708 122.113 120.400 0.010 0.000 2.382 35 D HA 0.331 4.971 4.640 -0.000 0.000 0.245 35 D C -0.194 176.099 176.300 -0.013 0.000 1.120 35 D CA -0.421 53.603 54.000 0.041 0.000 0.890 35 D CB 0.687 41.518 40.800 0.053 0.000 1.201 35 D HN 0.191 nan 8.370 nan 0.000 0.433 36 I N 2.279 122.865 120.570 0.027 0.000 2.371 36 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 36 I C 0.066 176.214 176.117 0.051 0.000 1.028 36 I CA -0.091 61.163 61.300 -0.078 0.000 1.345 36 I CB 0.490 38.317 38.000 -0.288 0.000 1.407 36 I HN 0.060 nan 8.210 nan 0.000 0.501 37 L N 6.129 127.252 121.223 -0.166 0.000 2.334 37 L HA 0.894 5.234 4.340 -0.000 0.000 0.276 37 L C -0.101 176.623 176.870 -0.244 0.000 1.014 37 L CA -0.790 53.941 54.840 -0.181 0.000 0.815 37 L CB 1.596 43.355 42.059 -0.500 0.000 1.268 37 L HN 0.656 nan 8.230 nan 0.000 0.428 38 A N 1.923 124.797 122.820 0.089 0.000 2.371 38 A HA 0.875 5.195 4.320 -0.000 0.000 0.311 38 A C -0.729 176.909 177.584 0.091 0.000 1.068 38 A CA -0.545 51.502 52.037 0.017 0.000 0.744 38 A CB 1.742 20.723 19.000 -0.032 0.000 1.239 38 A HN 0.753 nan 8.150 nan 0.000 0.435 39 A N 1.868 124.631 122.820 -0.096 0.000 2.267 39 A HA 0.716 5.036 4.320 -0.000 0.000 0.315 39 A C -1.146 176.088 177.584 -0.583 0.000 1.297 39 A CA -0.272 51.487 52.037 -0.463 0.000 0.865 39 A CB -0.207 18.344 19.000 -0.749 0.000 1.165 39 A HN 0.618 nan 8.150 nan 0.000 0.513 40 F N 1.531 121.284 119.950 -0.329 0.000 2.415 40 F HA 0.459 4.986 4.527 -0.000 0.000 0.348 40 F C 0.964 176.618 175.800 -0.244 0.000 1.119 40 F CA -0.317 57.530 58.000 -0.255 0.000 1.069 40 F CB 1.578 40.440 39.000 -0.231 0.000 1.124 40 F HN 0.603 nan 8.300 nan 0.000 0.472 41 R N 5.254 125.747 120.500 -0.012 0.000 2.210 41 R HA 0.435 4.775 4.340 -0.000 0.000 0.338 41 R C -0.951 175.367 176.300 0.030 0.000 1.062 41 R CA -0.250 55.851 56.100 0.002 0.000 0.902 41 R CB 0.498 30.801 30.300 0.006 0.000 1.050 41 R HN 0.845 nan 8.270 nan 0.000 0.461 42 M N 3.712 123.338 119.600 0.043 0.000 2.311 42 M HA 0.296 4.776 4.480 -0.000 0.000 0.325 42 M C -1.213 175.141 176.300 0.090 0.000 1.061 42 M CA -0.292 55.023 55.300 0.025 0.000 0.957 42 M CB 2.229 34.826 32.600 -0.005 0.000 1.646 42 M HN 0.460 nan 8.290 nan 0.000 0.434 43 T N 6.174 120.766 114.554 0.064 0.000 2.977 43 T HA 0.463 4.813 4.350 -0.000 0.000 0.346 43 T C -2.660 172.083 174.700 0.072 0.000 1.140 43 T CA -1.163 60.988 62.100 0.085 0.000 1.040 43 T CB 0.694 69.602 68.868 0.067 0.000 1.046 43 T HN 0.411 nan 8.240 nan 0.000 0.494 44 P HA 0.176 nan 4.420 nan 0.000 0.274 44 P C 0.098 177.428 177.300 0.049 0.000 1.237 44 P CA -0.653 62.474 63.100 0.046 0.000 0.793 44 P CB 0.592 32.309 31.700 0.028 0.000 0.977 45 Q N 1.750 121.570 119.800 0.034 0.000 2.454 45 Q HA 0.160 4.500 4.340 -0.000 0.000 0.247 45 Q C -1.995 174.024 176.000 0.031 0.000 1.028 45 Q CA -1.321 54.501 55.803 0.032 0.000 0.910 45 Q CB -0.797 27.958 28.738 0.029 0.000 1.276 45 Q HN 0.328 nan 8.270 nan 0.000 0.489 46 P HA -0.032 nan 4.420 nan 0.000 0.262 46 P C 0.490 177.803 177.300 0.020 0.000 1.182 46 P CA 1.094 64.210 63.100 0.027 0.000 0.761 46 P CB 0.238 31.951 31.700 0.022 0.000 0.795 47 G N 1.310 110.121 108.800 0.018 0.000 2.176 47 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 47 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 47 G C -0.043 174.860 174.900 0.005 0.000 0.979 47 G CA -0.129 44.978 45.100 0.011 0.000 0.641 47 G HN 0.529 nan 8.290 nan 0.000 0.530 48 V N 2.404 122.319 119.914 0.002 0.000 2.333 48 V HA 0.455 4.574 4.120 -0.000 0.000 0.274 48 V C -1.573 174.490 176.094 -0.053 0.000 1.028 48 V CA -1.608 60.683 62.300 -0.014 0.000 0.851 48 V CB 1.428 33.248 31.823 -0.004 0.000 1.000 48 V HN 0.131 nan 8.190 nan 0.000 0.456 49 P HA 0.192 nan 4.420 nan 0.000 0.268 49 P C -2.089 175.069 177.300 -0.235 0.000 1.205 49 P CA -1.277 61.738 63.100 -0.141 0.000 0.771 49 P CB 0.248 31.872 31.700 -0.127 0.000 0.858 50 P HA -0.184 nan 4.420 nan 0.000 0.216 50 P C 1.054 178.087 177.300 -0.444 0.000 1.150 50 P CA 1.486 64.247 63.100 -0.565 0.000 0.837 50 P CB 0.072 31.141 31.700 -1.051 0.000 0.786 51 E N -0.497 119.419 120.200 -0.473 0.000 2.077 51 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 51 E C 2.020 178.374 176.600 -0.410 0.000 0.989 51 E CA 1.132 57.133 56.400 -0.665 0.000 0.800 51 E CB -0.636 28.540 29.700 -0.874 0.000 0.746 51 E HN 0.268 nan 8.360 nan 0.000 0.452 52 E N -0.050 120.002 120.200 -0.247 0.000 2.107 52 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 52 E C 1.853 178.381 176.600 -0.120 0.000 0.982 52 E CA 0.872 57.212 56.400 -0.101 0.000 0.809 52 E CB -0.504 29.176 29.700 -0.033 0.000 0.756 52 E HN 0.285 nan 8.360 nan 0.000 0.459 53 C N -0.336 118.858 119.300 -0.178 0.000 2.432 53 C HA 0.052 4.512 4.460 -0.000 0.000 0.277 53 C C 2.675 177.496 174.990 -0.282 0.000 1.249 53 C CA 1.390 60.282 59.018 -0.210 0.000 1.725 53 C CB -1.369 26.260 27.740 -0.185 0.000 2.028 53 C HN 0.651 nan 8.230 nan 0.000 0.477 54 G N -0.120 108.527 108.800 -0.256 0.000 2.418 54 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.217 54 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.217 54 G C 1.949 176.728 174.900 -0.203 0.000 1.158 54 G CA 1.096 46.062 45.100 -0.224 0.000 0.771 54 G HN 0.714 nan 8.290 nan 0.000 0.545 55 A N 1.180 123.918 122.820 -0.136 0.000 1.902 55 A HA 0.250 4.570 4.320 -0.000 0.000 0.217 55 A C 2.820 180.214 177.584 -0.316 0.000 1.181 55 A CA 2.268 54.279 52.037 -0.044 0.000 0.623 55 A CB -0.782 18.293 19.000 0.125 0.000 0.818 55 A HN 0.788 nan 8.150 nan 0.000 0.443 56 A N -0.576 121.928 122.820 -0.526 0.000 1.902 56 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 56 A C 2.240 179.224 177.584 -1.001 0.000 1.181 56 A CA 1.827 53.183 52.037 -1.135 0.000 0.623 56 A CB -0.938 17.531 19.000 -0.885 0.000 0.818 56 A HN 0.389 nan 8.150 nan 0.000 0.443 57 V N -0.155 119.317 119.914 -0.737 0.000 2.295 57 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 57 V C 3.072 178.848 176.094 -0.531 0.000 1.049 57 V CA 1.950 63.816 62.300 -0.724 0.000 1.024 57 V CB -1.271 30.063 31.823 -0.814 0.000 0.648 57 V HN 0.622 nan 8.190 nan 0.000 0.447 58 A N -0.008 122.569 122.820 -0.404 0.000 1.883 58 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 58 A C 2.424 179.802 177.584 -0.342 0.000 1.186 58 A CA 2.318 54.199 52.037 -0.260 0.000 0.624 58 A CB -0.842 18.080 19.000 -0.129 0.000 0.822 58 A HN 0.575 nan 8.150 nan 0.000 0.444 59 A N -0.570 121.833 122.820 -0.695 0.000 1.858 59 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 59 A C 1.872 179.124 177.584 -0.553 0.000 1.190 59 A CA 1.556 52.919 52.037 -1.122 0.000 0.617 59 A CB -0.403 17.789 19.000 -1.346 0.000 0.827 59 A HN 0.474 nan 8.150 nan 0.000 0.443 60 E N 0.337 120.223 120.200 -0.525 0.000 2.502 60 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 60 E C 1.430 177.942 176.600 -0.147 0.000 1.062 60 E CA 0.875 57.099 56.400 -0.295 0.000 0.867 60 E CB -0.050 29.382 29.700 -0.447 0.000 0.888 60 E HN 0.712 nan 8.360 nan 0.000 0.510 61 S N -0.830 114.795 115.700 -0.125 0.000 2.557 61 S HA 0.127 4.597 4.470 -0.000 0.000 0.223 61 S C 1.385 176.051 174.600 0.110 0.000 0.969 61 S CA 0.274 58.495 58.200 0.034 0.000 0.927 61 S CB 0.305 63.586 63.200 0.135 0.000 0.806 61 S HN 0.143 nan 8.310 nan 0.000 0.489 62 S N 1.428 117.160 115.700 0.054 0.000 4.238 62 S HA 0.169 4.639 4.470 -0.000 0.000 0.167 62 S C 1.383 176.001 174.600 0.030 0.000 0.921 62 S CA 0.590 58.840 58.200 0.084 0.000 1.128 62 S CB -0.217 63.097 63.200 0.190 0.000 1.636 62 S HN 0.521 nan 8.310 nan 0.000 0.753 63 T N -1.047 113.543 114.554 0.059 0.000 2.969 63 T HA 0.479 4.829 4.350 -0.000 0.000 0.258 63 T C 0.840 175.588 174.700 0.080 0.000 0.962 63 T CA 0.419 62.568 62.100 0.081 0.000 0.903 63 T CB 0.085 69.055 68.868 0.170 0.000 1.177 63 T HN 0.732 nan 8.240 nan 0.000 0.511 64 G N 0.290 109.104 108.800 0.023 0.000 2.462 64 G HA2 0.567 4.527 3.960 -0.000 0.000 0.319 64 G HA3 0.567 4.527 3.960 -0.000 0.000 0.319 64 G C -0.874 174.079 174.900 0.088 0.000 1.171 64 G CA -0.268 44.870 45.100 0.063 0.000 0.920 64 G HN 0.281 nan 8.290 nan 0.000 0.499 65 T N -1.015 113.623 114.554 0.139 0.000 2.645 65 T HA 0.421 4.771 4.350 -0.000 0.000 0.273 65 T C 0.659 175.492 174.700 0.221 0.000 0.960 65 T CA -0.487 61.739 62.100 0.211 0.000 1.051 65 T CB 0.799 69.744 68.868 0.128 0.000 1.366 65 T HN 0.676 nan 8.240 nan 0.000 0.536 66 W N 0.741 122.139 121.300 0.164 0.000 2.800 66 W HA 0.291 4.951 4.660 -0.000 0.000 0.249 66 W C 0.286 176.782 176.519 -0.038 0.000 1.294 66 W CA 0.421 57.819 57.345 0.087 0.000 1.402 66 W CB -0.999 28.534 29.460 0.121 0.000 1.126 66 W HN 0.533 nan 8.180 nan 0.000 0.652 67 T N 0.900 115.002 114.554 -0.754 0.000 2.883 67 T HA 0.325 4.675 4.350 -0.000 0.000 0.301 67 T C -0.465 174.009 174.700 -0.377 0.000 1.158 67 T CA -0.331 61.347 62.100 -0.704 0.000 1.007 67 T CB 1.817 69.894 68.868 -1.319 0.000 1.186 67 T HN -0.211 nan 8.240 nan 0.000 0.499 68 T N 2.716 117.159 114.554 -0.185 0.000 2.888 68 T HA 0.440 4.790 4.350 -0.000 0.000 0.301 68 T C 0.262 175.029 174.700 0.111 0.000 1.001 68 T CA -0.333 61.766 62.100 -0.001 0.000 1.147 68 T CB 0.106 69.014 68.868 0.067 0.000 0.931 68 T HN 0.672 nan 8.240 nan 0.000 0.541 69 V N 3.004 122.942 119.914 0.040 0.000 2.581 69 V HA 0.492 4.612 4.120 -0.000 0.000 0.303 69 V C 1.177 177.115 176.094 -0.260 0.000 1.041 69 V CA -1.167 61.072 62.300 -0.102 0.000 0.907 69 V CB 1.349 33.026 31.823 -0.245 0.000 0.994 69 V HN 1.043 nan 8.190 nan 0.000 0.442 70 W N 2.349 123.199 121.300 -0.750 0.000 2.425 70 W HA -0.094 4.566 4.660 -0.000 0.000 0.277 70 W C 1.491 177.771 176.519 -0.399 0.000 1.231 70 W CA 1.490 58.225 57.345 -1.016 0.000 1.248 70 W CB -1.695 26.869 29.460 -1.493 0.000 1.117 70 W HN 0.757 nan 8.180 nan 0.000 0.568 71 T N -0.883 113.021 114.554 -1.084 0.000 2.929 71 T HA -0.224 4.126 4.350 -0.000 0.000 0.271 71 T C 1.131 175.604 174.700 -0.377 0.000 1.085 71 T CA 1.617 63.151 62.100 -0.943 0.000 1.125 71 T CB -0.651 67.590 68.868 -1.045 0.000 0.874 71 T HN -0.085 nan 8.240 nan 0.000 0.494 72 D N 2.091 122.342 120.400 -0.249 0.000 2.172 72 D HA -0.069 4.571 4.640 -0.000 0.000 0.196 72 D C 2.318 178.595 176.300 -0.038 0.000 0.999 72 D CA 1.501 55.442 54.000 -0.098 0.000 0.856 72 D CB -0.931 39.849 40.800 -0.034 0.000 0.934 72 D HN 0.611 nan 8.370 nan 0.000 0.453 73 G N -0.051 108.744 108.800 -0.008 0.000 2.509 73 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 73 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 73 G C 1.606 176.532 174.900 0.044 0.000 1.124 73 G CA 0.025 45.153 45.100 0.046 0.000 0.776 73 G HN 0.280 nan 8.290 nan 0.000 0.547 74 L N -0.262 120.970 121.223 0.015 0.000 2.395 74 L HA 0.156 4.496 4.340 -0.000 0.000 0.218 74 L C 1.705 178.583 176.870 0.015 0.000 1.130 74 L CA 0.449 55.301 54.840 0.020 0.000 0.826 74 L CB -0.016 42.040 42.059 -0.005 0.000 0.941 74 L HN 0.199 nan 8.230 nan 0.000 0.451 75 T N -2.292 112.269 114.554 0.012 0.000 2.762 75 T HA 0.286 4.636 4.350 -0.000 0.000 0.272 75 T C -0.363 174.389 174.700 0.087 0.000 0.982 75 T CA -0.463 61.673 62.100 0.062 0.000 1.013 75 T CB 1.946 70.839 68.868 0.042 0.000 1.309 75 T HN -0.122 nan 8.240 nan 0.000 0.572 76 S N 1.764 117.558 115.700 0.156 0.000 2.528 76 S HA 0.338 4.808 4.470 -0.000 0.000 0.303 76 S C 0.979 175.638 174.600 0.099 0.000 1.123 76 S CA -0.724 57.522 58.200 0.077 0.000 1.138 76 S CB 0.182 63.381 63.200 -0.001 0.000 0.984 76 S HN 0.576 nan 8.310 nan 0.000 0.474 77 L N 4.458 125.716 121.223 0.057 0.000 2.042 77 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 77 L C 1.779 178.632 176.870 -0.029 0.000 1.076 77 L CA 1.992 56.855 54.840 0.039 0.000 0.749 77 L CB -0.565 41.481 42.059 -0.022 0.000 0.893 77 L HN 0.596 nan 8.230 nan 0.000 0.432 78 D N -0.950 119.407 120.400 -0.072 0.000 2.158 78 D HA -0.254 4.386 4.640 -0.000 0.000 0.197 78 D C 2.317 178.532 176.300 -0.143 0.000 0.995 78 D CA 1.230 55.165 54.000 -0.108 0.000 0.846 78 D CB -0.137 40.611 40.800 -0.086 0.000 0.941 78 D HN 0.323 nan 8.370 nan 0.000 0.456 79 R N -0.960 119.413 120.500 -0.211 0.000 2.115 79 R HA -0.113 4.227 4.340 -0.000 0.000 0.226 79 R C 1.378 177.394 176.300 -0.474 0.000 1.100 79 R CA 1.049 56.897 56.100 -0.420 0.000 0.980 79 R CB 0.053 29.937 30.300 -0.694 0.000 0.875 79 R HN 0.244 nan 8.270 nan 0.000 0.445 80 Y N 0.302 120.582 120.300 -0.033 0.000 2.483 80 Y HA 0.149 4.699 4.550 -0.000 0.000 0.258 80 Y C 0.132 176.026 175.900 -0.009 0.000 1.083 80 Y CA -0.307 57.778 58.100 -0.025 0.000 1.283 80 Y CB 0.221 38.664 38.460 -0.028 0.000 1.178 80 Y HN -0.076 nan 8.280 nan 0.000 0.515 81 K N 1.314 121.777 120.400 0.105 0.000 2.436 81 K HA 0.312 4.632 4.320 -0.000 0.000 0.275 81 K C 0.615 177.254 176.600 0.065 0.000 0.999 81 K CA 0.103 56.468 56.287 0.130 0.000 0.980 81 K CB 0.611 33.116 32.500 0.009 0.000 0.919 81 K HN 0.139 nan 8.250 nan 0.000 0.484 82 G N 2.571 111.445 108.800 0.123 0.000 2.527 82 G HA2 0.205 4.165 3.960 -0.000 0.000 0.248 82 G HA3 0.205 4.165 3.960 -0.000 0.000 0.248 82 G C -0.781 174.090 174.900 -0.049 0.000 1.231 82 G CA -0.853 44.196 45.100 -0.086 0.000 0.838 82 G HN 0.658 nan 8.290 nan 0.000 0.570 83 R N 0.273 120.663 120.500 -0.184 0.000 2.514 83 R HA 0.280 4.620 4.340 -0.000 0.000 0.296 83 R C -1.042 175.269 176.300 0.019 0.000 1.012 83 R CA -0.644 55.390 56.100 -0.110 0.000 0.897 83 R CB 1.807 31.888 30.300 -0.365 0.000 1.184 83 R HN 0.535 nan 8.270 nan 0.000 0.440 84 C N 5.097 124.445 119.300 0.080 0.000 2.540 84 C HA 0.217 4.677 4.460 -0.000 0.000 0.377 84 C C 0.997 176.088 174.990 0.169 0.000 1.274 84 C CA -0.376 58.719 59.018 0.127 0.000 1.718 84 C CB -1.127 26.715 27.740 0.169 0.000 2.391 84 C HN 0.989 nan 8.230 nan 0.000 0.565 85 Y N 2.081 122.457 120.300 0.127 0.000 2.445 85 Y HA 0.532 5.082 4.550 -0.000 0.000 0.247 85 Y C 0.181 176.147 175.900 0.110 0.000 1.129 85 Y CA -0.427 57.723 58.100 0.084 0.000 1.251 85 Y CB 0.041 38.607 38.460 0.177 0.000 1.176 85 Y HN 0.519 nan 8.280 nan 0.000 0.522 86 D N 0.502 120.824 120.400 -0.130 0.000 2.769 86 D HA 0.456 5.096 4.640 -0.000 0.000 0.219 86 D C -1.700 174.703 176.300 0.172 0.000 1.245 86 D CA -0.378 53.629 54.000 0.011 0.000 0.801 86 D CB 2.030 42.730 40.800 -0.167 0.000 1.598 86 D HN 0.175 nan 8.370 nan 0.000 0.485 87 I N 2.227 122.921 120.570 0.206 0.000 2.478 87 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 87 I C -0.337 175.911 176.117 0.218 0.000 1.042 87 I CA -0.579 60.838 61.300 0.195 0.000 1.067 87 I CB 1.958 40.006 38.000 0.080 0.000 1.233 87 I HN 0.143 nan 8.210 nan 0.000 0.431 88 E N 7.688 128.049 120.200 0.269 0.000 2.179 88 E HA 0.406 4.756 4.350 -0.000 0.000 0.275 88 E C -2.446 174.295 176.600 0.236 0.000 0.945 88 E CA -1.875 54.667 56.400 0.237 0.000 0.792 88 E CB 1.821 31.679 29.700 0.264 0.000 1.125 88 E HN 0.254 nan 8.360 nan 0.000 0.397 89 P HA 0.061 nan 4.420 nan 0.000 0.274 89 P C -0.504 176.790 177.300 -0.010 0.000 1.231 89 P CA -0.339 62.799 63.100 0.063 0.000 0.790 89 P CB 0.888 32.621 31.700 0.055 0.000 0.951 90 V N 4.680 124.525 119.914 -0.114 0.000 2.364 90 V HA 0.219 4.339 4.120 -0.000 0.000 0.272 90 V C -1.802 174.254 176.094 -0.064 0.000 1.036 90 V CA -1.845 60.416 62.300 -0.065 0.000 0.880 90 V CB 0.761 32.541 31.823 -0.072 0.000 0.991 90 V HN 0.572 nan 8.190 nan 0.000 0.460 91 P HA 0.185 nan 4.420 nan 0.000 0.267 91 P C 0.890 178.175 177.300 -0.025 0.000 1.209 91 P CA 1.010 64.096 63.100 -0.025 0.000 0.763 91 P CB 0.902 32.594 31.700 -0.013 0.000 0.816 92 G N 1.777 110.561 108.800 -0.027 0.000 2.175 92 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.244 92 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.244 92 G C -0.124 174.757 174.900 -0.031 0.000 0.982 92 G CA -0.251 44.837 45.100 -0.021 0.000 0.641 92 G HN 0.573 nan 8.290 nan 0.000 0.527 93 E N 0.180 120.346 120.200 -0.057 0.000 2.222 93 E HA 0.468 4.818 4.350 -0.000 0.000 0.267 93 E C -0.074 176.457 176.600 -0.115 0.000 0.884 93 E CA -0.418 55.936 56.400 -0.078 0.000 0.764 93 E CB 1.550 31.194 29.700 -0.094 0.000 1.169 93 E HN 0.229 nan 8.360 nan 0.000 0.413 94 D N 0.750 121.096 120.400 -0.090 0.000 2.271 94 D HA -0.065 4.575 4.640 -0.000 0.000 0.206 94 D C 0.777 177.005 176.300 -0.121 0.000 0.967 94 D CA 0.529 54.479 54.000 -0.082 0.000 0.867 94 D CB 0.261 41.041 40.800 -0.033 0.000 0.960 94 D HN 0.176 nan 8.370 nan 0.000 0.509 95 N N 0.023 118.640 118.700 -0.138 0.000 2.451 95 N HA 0.101 4.841 4.740 -0.000 0.000 0.271 95 N C -1.294 174.119 175.510 -0.163 0.000 1.410 95 N CA -0.098 52.895 53.050 -0.096 0.000 0.884 95 N CB 0.401 38.900 38.487 0.018 0.000 1.332 95 N HN -0.052 nan 8.380 nan 0.000 0.498 96 Q N 0.361 119.919 119.800 -0.404 0.000 2.356 96 Q HA 0.414 4.754 4.340 -0.000 0.000 0.270 96 Q C -1.551 174.108 176.000 -0.569 0.000 1.058 96 Q CA -0.681 54.948 55.803 -0.290 0.000 0.802 96 Q CB 1.821 30.477 28.738 -0.136 0.000 1.303 96 Q HN 0.235 nan 8.270 nan 0.000 0.444 97 Y N 1.181 121.480 120.300 -0.002 0.000 2.553 97 Y HA 0.444 4.994 4.550 -0.000 0.000 0.347 97 Y C -0.414 175.475 175.900 -0.018 0.000 1.019 97 Y CA -1.112 56.986 58.100 -0.002 0.000 1.032 97 Y CB 1.443 39.894 38.460 -0.016 0.000 1.284 97 Y HN 0.417 nan 8.280 nan 0.000 0.466 98 I N 2.630 123.285 120.570 0.140 0.000 2.307 98 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 98 I C 0.054 176.144 176.117 -0.044 0.000 1.021 98 I CA -0.723 60.567 61.300 -0.017 0.000 1.224 98 I CB 0.501 38.469 38.000 -0.052 0.000 1.376 98 I HN 0.702 nan 8.210 nan 0.000 0.470 99 A N 7.405 130.173 122.820 -0.087 0.000 2.274 99 A HA 0.616 4.936 4.320 -0.000 0.000 0.309 99 A C -1.159 176.334 177.584 -0.151 0.000 1.226 99 A CA -0.344 51.666 52.037 -0.046 0.000 0.853 99 A CB 0.256 19.237 19.000 -0.032 0.000 1.146 99 A HN 0.534 nan 8.150 nan 0.000 0.518 100 Y N 1.644 121.881 120.300 -0.105 0.000 2.328 100 Y HA 0.479 5.029 4.550 -0.000 0.000 0.337 100 Y C 0.123 175.865 175.900 -0.264 0.000 1.008 100 Y CA -0.307 57.660 58.100 -0.221 0.000 1.129 100 Y CB 1.776 39.865 38.460 -0.618 0.000 1.185 100 Y HN 0.392 nan 8.280 nan 0.000 0.476 101 V N 3.056 123.081 119.914 0.185 0.000 2.604 101 V HA 0.800 4.920 4.120 -0.000 0.000 0.305 101 V C -0.388 175.814 176.094 0.179 0.000 1.043 101 V CA -1.072 61.303 62.300 0.125 0.000 0.888 101 V CB 1.654 33.485 31.823 0.014 0.000 0.995 101 V HN 0.841 nan 8.190 nan 0.000 0.429 102 A N 4.203 127.089 122.820 0.110 0.000 2.318 102 A HA 0.895 5.215 4.320 -0.000 0.000 0.324 102 A C -1.320 176.133 177.584 -0.219 0.000 1.170 102 A CA -0.340 51.724 52.037 0.044 0.000 0.810 102 A CB 0.637 19.699 19.000 0.103 0.000 1.198 102 A HN 0.727 nan 8.150 nan 0.000 0.484 106 D N 1.638 122.122 120.400 0.141 0.000 2.309 106 D HA -0.031 4.609 4.640 -0.000 0.000 0.212 106 D C 2.018 178.354 176.300 0.061 0.000 0.968 106 D CA 1.204 55.287 54.000 0.140 0.000 0.882 106 D CB 0.046 40.978 40.800 0.220 0.000 0.918 106 D HN 0.430 nan 8.370 nan 0.000 0.503 107 L N -0.809 120.359 121.223 -0.093 0.000 2.465 107 L HA 0.016 4.356 4.340 -0.000 0.000 0.224 107 L C 0.141 176.642 176.870 -0.615 0.000 1.145 107 L CA 0.314 54.898 54.840 -0.427 0.000 0.834 107 L CB -0.117 41.517 42.059 -0.710 0.000 0.944 107 L HN -0.099 nan 8.230 nan 0.000 0.451 108 F N -0.416 119.496 119.950 -0.063 0.000 2.480 108 F HA 0.302 4.829 4.527 -0.000 0.000 0.329 108 F C 0.651 176.486 175.800 0.058 0.000 1.091 108 F CA -1.130 56.828 58.000 -0.069 0.000 0.972 108 F CB 1.024 39.809 39.000 -0.359 0.000 1.150 108 F HN -0.190 nan 8.300 nan 0.000 0.467 109 E N 1.832 122.198 120.200 0.276 0.000 2.290 109 E HA 0.110 4.460 4.350 -0.000 0.000 0.277 109 E C -0.765 175.983 176.600 0.246 0.000 1.035 109 E CA -0.545 55.973 56.400 0.196 0.000 0.873 109 E CB 0.541 30.310 29.700 0.115 0.000 1.029 109 E HN 0.507 nan 8.360 nan 0.000 0.419 110 E N 2.497 122.776 120.200 0.131 0.000 2.465 110 E HA 0.146 4.496 4.350 -0.000 0.000 0.260 110 E C 0.911 177.277 176.600 -0.391 0.000 0.980 110 E CA 1.303 57.665 56.400 -0.064 0.000 0.927 110 E CB 0.507 30.170 29.700 -0.061 0.000 0.934 110 E HN 0.811 nan 8.360 nan 0.000 0.459 111 G N 2.561 110.699 108.800 -1.103 0.000 2.168 111 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 111 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 111 G C 0.348 174.799 174.900 -0.748 0.000 0.977 111 G CA 0.458 44.694 45.100 -1.440 0.000 0.659 111 G HN 0.568 nan 8.290 nan 0.000 0.533 112 S N -0.349 115.165 115.700 -0.309 0.000 2.577 112 S HA 0.538 5.008 4.470 -0.000 0.000 0.294 112 S C 1.522 176.309 174.600 0.311 0.000 1.161 112 S CA 0.124 58.382 58.200 0.098 0.000 1.143 112 S CB 1.239 64.493 63.200 0.089 0.000 0.991 112 S HN 0.576 nan 8.310 nan 0.000 0.475 113 V N 4.860 124.949 119.914 0.292 0.000 2.407 113 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 113 V C 2.582 178.616 176.094 -0.100 0.000 1.055 113 V CA 2.459 64.747 62.300 -0.019 0.000 1.049 113 V CB -1.068 30.454 31.823 -0.502 0.000 0.662 113 V HN 0.837 nan 8.190 nan 0.000 0.455 114 T N 0.082 114.620 114.554 -0.027 0.000 2.665 114 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 114 T C 1.923 176.713 174.700 0.151 0.000 1.035 114 T CA 2.026 64.164 62.100 0.064 0.000 1.151 114 T CB -0.511 68.426 68.868 0.114 0.000 0.862 114 T HN 0.580 nan 8.240 nan 0.000 0.438 115 N N 0.492 119.299 118.700 0.178 0.000 2.120 115 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 115 N C 2.117 177.801 175.510 0.291 0.000 1.024 115 N CA 1.201 54.376 53.050 0.209 0.000 0.852 115 N CB -0.223 38.391 38.487 0.211 0.000 1.003 115 N HN 0.394 nan 8.380 nan 0.000 0.424 116 M N -0.266 119.553 119.600 0.364 0.000 2.080 116 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 116 M C 1.547 178.003 176.300 0.260 0.000 1.068 116 M CA 1.592 57.103 55.300 0.351 0.000 1.109 116 M CB -0.164 32.572 32.600 0.226 0.000 1.342 116 M HN 0.049 nan 8.290 nan 0.000 0.405 117 F N 0.367 120.328 119.950 0.018 0.000 2.146 117 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 117 F C 2.515 178.351 175.800 0.059 0.000 1.096 117 F CA 1.815 59.825 58.000 0.016 0.000 1.275 117 F CB -1.232 37.767 39.000 -0.002 0.000 1.008 117 F HN 0.177 nan 8.300 nan 0.000 0.480 118 T N -1.126 113.581 114.554 0.255 0.000 2.720 118 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 118 T C 2.332 177.099 174.700 0.112 0.000 1.037 118 T CA 1.736 63.935 62.100 0.165 0.000 1.144 118 T CB -0.472 68.476 68.868 0.132 0.000 0.864 118 T HN 0.154 nan 8.240 nan 0.000 0.444 119 S N 0.797 116.549 115.700 0.087 0.000 2.335 119 S HA 0.071 4.541 4.470 -0.000 0.000 0.216 119 S C 2.072 176.681 174.600 0.015 0.000 1.032 119 S CA 0.889 59.095 58.200 0.009 0.000 1.000 119 S CB -0.341 62.802 63.200 -0.095 0.000 0.928 119 S HN 0.400 nan 8.310 nan 0.000 0.434 120 I N 1.395 121.957 120.570 -0.013 0.000 2.315 120 I HA -0.069 4.101 4.170 -0.000 0.000 0.248 120 I C 1.658 177.917 176.117 0.237 0.000 1.117 120 I CA 1.001 62.312 61.300 0.017 0.000 1.404 120 I CB -0.083 37.829 38.000 -0.146 0.000 1.071 120 I HN 0.262 nan 8.210 nan 0.000 0.419 121 V N -3.035 116.980 119.914 0.168 0.000 3.253 121 V HA 0.465 4.585 4.120 -0.000 0.000 0.320 121 V C 1.629 177.854 176.094 0.218 0.000 1.442 121 V CA 0.299 62.771 62.300 0.287 0.000 1.097 121 V CB -0.353 31.459 31.823 -0.018 0.000 1.008 121 V HN 0.225 nan 8.190 nan 0.000 0.463 122 G N 1.822 110.734 108.800 0.187 0.000 2.453 122 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 122 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 122 G C 1.203 176.212 174.900 0.182 0.000 1.201 122 G CA 1.406 46.600 45.100 0.157 0.000 0.784 122 G HN 0.553 nan 8.290 nan 0.000 0.545 123 N N -0.571 118.258 118.700 0.214 0.000 2.297 123 N HA 0.007 4.747 4.740 -0.000 0.000 0.208 123 N C 2.234 177.957 175.510 0.355 0.000 1.176 123 N CA 0.854 54.057 53.050 0.255 0.000 0.882 123 N CB 0.398 39.035 38.487 0.250 0.000 1.134 123 N HN 0.279 nan 8.380 nan 0.000 0.489 124 V N -1.152 118.912 119.914 0.250 0.000 2.720 124 V HA -0.051 4.069 4.120 -0.000 0.000 0.256 124 V C 1.645 177.784 176.094 0.075 0.000 1.082 124 V CA 1.267 63.583 62.300 0.026 0.000 1.101 124 V CB -1.178 30.430 31.823 -0.358 0.000 0.693 124 V HN -0.071 nan 8.190 nan 0.000 0.479 125 F N 2.449 122.462 119.950 0.104 0.000 2.502 125 F HA 0.285 4.812 4.527 -0.000 0.000 0.298 125 F C 2.329 178.258 175.800 0.214 0.000 1.111 125 F CA 1.139 59.222 58.000 0.139 0.000 1.445 125 F CB -0.659 38.409 39.000 0.114 0.000 1.081 125 F HN 0.339 nan 8.300 nan 0.000 0.558 126 G N -1.633 107.381 108.800 0.356 0.000 3.126 126 G HA2 0.032 3.992 3.960 -0.000 0.000 0.224 126 G HA3 0.032 3.992 3.960 -0.000 0.000 0.224 126 G C 0.127 175.107 174.900 0.134 0.000 1.142 126 G CA -0.228 45.000 45.100 0.213 0.000 0.759 126 G HN 0.021 nan 8.290 nan 0.000 0.550 127 F N 1.517 121.475 119.950 0.014 0.000 2.578 127 F HA 0.195 4.722 4.527 -0.000 0.000 0.381 127 F C 1.768 177.560 175.800 -0.014 0.000 1.069 127 F CA 0.116 58.104 58.000 -0.021 0.000 1.231 127 F CB 1.087 40.043 39.000 -0.074 0.000 1.086 127 F HN -0.044 nan 8.300 nan 0.000 0.564 128 K N 2.754 123.157 120.400 0.005 0.000 2.152 128 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 128 K C 1.974 178.612 176.600 0.064 0.000 1.048 128 K CA 1.347 57.641 56.287 0.012 0.000 0.933 128 K CB -0.159 32.317 32.500 -0.041 0.000 0.721 128 K HN 0.722 nan 8.250 nan 0.000 0.447 129 A N 0.866 123.761 122.820 0.125 0.000 2.172 129 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 129 A C 0.823 178.443 177.584 0.060 0.000 1.154 129 A CA 0.686 52.783 52.037 0.100 0.000 0.701 129 A CB -0.138 18.946 19.000 0.140 0.000 0.789 129 A HN 0.100 nan 8.150 nan 0.000 0.465 130 L N -1.592 119.672 121.223 0.069 0.000 2.342 130 L HA 0.431 4.771 4.340 -0.000 0.000 0.271 130 L C 1.103 178.007 176.870 0.055 0.000 1.008 130 L CA -0.749 54.114 54.840 0.037 0.000 0.818 130 L CB 1.723 43.783 42.059 0.001 0.000 1.296 130 L HN 0.166 nan 8.230 nan 0.000 0.427 131 R N 1.236 121.768 120.500 0.053 0.000 2.189 131 R HA 0.395 4.735 4.340 -0.000 0.000 0.203 131 R C 0.009 176.359 176.300 0.084 0.000 1.012 131 R CA 0.414 56.546 56.100 0.053 0.000 1.015 131 R CB 0.568 30.894 30.300 0.044 0.000 0.938 131 R HN 0.687 nan 8.270 nan 0.000 0.472 132 A N 0.721 123.616 122.820 0.126 0.000 2.599 132 A HA 0.580 4.900 4.320 -0.000 0.000 0.294 132 A C -2.110 175.579 177.584 0.175 0.000 1.055 132 A CA -0.649 51.550 52.037 0.270 0.000 0.683 132 A CB 1.602 20.732 19.000 0.216 0.000 1.278 132 A HN 0.042 nan 8.150 nan 0.000 0.412 133 L N 0.668 121.998 121.223 0.179 0.000 2.526 133 L HA 0.781 5.121 4.340 -0.000 0.000 0.263 133 L C -0.689 176.124 176.870 -0.094 0.000 0.943 133 L CA -0.093 54.657 54.840 -0.148 0.000 0.859 133 L CB 1.943 43.648 42.059 -0.591 0.000 1.313 133 L HN 0.833 nan 8.230 nan 0.000 0.406 134 R N 4.089 124.612 120.500 0.038 0.000 2.532 134 R HA 0.550 4.890 4.340 -0.000 0.000 0.297 134 R C -1.750 174.626 176.300 0.126 0.000 0.984 134 R CA -0.915 55.277 56.100 0.154 0.000 0.884 134 R CB 1.704 32.069 30.300 0.109 0.000 1.182 134 R HN 0.666 nan 8.270 nan 0.000 0.442 135 L N 4.722 126.052 121.223 0.178 0.000 2.325 135 L HA 0.199 4.539 4.340 -0.000 0.000 0.284 135 L C 0.810 177.589 176.870 -0.152 0.000 1.089 135 L CA 0.607 55.362 54.840 -0.142 0.000 0.836 135 L CB 0.986 42.957 42.059 -0.147 0.000 1.184 135 L HN 0.703 nan 8.230 nan 0.000 0.444 136 E N 2.264 122.275 120.200 -0.316 0.000 2.102 136 E HA 0.080 4.430 4.350 -0.000 0.000 0.190 136 E C -0.191 176.222 176.600 -0.312 0.000 0.971 136 E CA 0.552 56.742 56.400 -0.350 0.000 0.821 136 E CB 0.412 29.654 29.700 -0.762 0.000 0.777 136 E HN 0.678 nan 8.360 nan 0.000 0.460 137 D N -1.126 119.080 120.400 -0.324 0.000 2.622 137 D HA 0.424 5.064 4.640 -0.000 0.000 0.255 137 D C -1.499 174.844 176.300 0.072 0.000 1.246 137 D CA -0.482 53.489 54.000 -0.048 0.000 0.795 137 D CB 1.539 42.375 40.800 0.060 0.000 1.369 137 D HN -0.153 nan 8.370 nan 0.000 0.425 138 L N 1.319 122.592 121.223 0.083 0.000 2.431 138 L HA 0.487 4.827 4.340 -0.000 0.000 0.266 138 L C -0.330 176.422 176.870 -0.196 0.000 0.978 138 L CA -0.885 53.891 54.840 -0.108 0.000 0.822 138 L CB 2.281 44.232 42.059 -0.180 0.000 1.310 138 L HN 0.174 nan 8.230 nan 0.000 0.409 139 R N 4.318 124.486 120.500 -0.554 0.000 2.204 139 R HA 0.382 4.722 4.340 -0.000 0.000 0.341 139 R C -0.950 175.134 176.300 -0.360 0.000 1.035 139 R CA -0.635 55.169 56.100 -0.494 0.000 0.887 139 R CB 0.457 30.311 30.300 -0.743 0.000 1.114 139 R HN 0.420 nan 8.270 nan 0.000 0.473 140 I N 7.691 128.061 120.570 -0.333 0.000 2.301 140 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 140 I C -1.965 174.010 176.117 -0.236 0.000 1.046 140 I CA -2.943 58.199 61.300 -0.264 0.000 1.282 140 I CB 0.936 38.762 38.000 -0.290 0.000 1.409 140 I HN 0.251 nan 8.210 nan 0.000 0.484 141 P HA 0.251 nan 4.420 nan 0.000 0.274 141 P C -2.260 175.028 177.300 -0.020 0.000 1.231 141 P CA -1.546 61.508 63.100 -0.078 0.000 0.790 141 P CB 0.489 32.169 31.700 -0.033 0.000 0.951 142 P HA -0.232 nan 4.420 nan 0.000 0.216 142 P C 1.513 178.858 177.300 0.074 0.000 1.154 142 P CA 2.402 65.520 63.100 0.029 0.000 0.865 142 P CB -0.485 31.237 31.700 0.037 0.000 0.789 143 A N -2.199 120.670 122.820 0.082 0.000 2.024 143 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 143 A C 2.200 179.898 177.584 0.190 0.000 1.164 143 A CA 1.494 53.598 52.037 0.111 0.000 0.643 143 A CB -1.637 17.420 19.000 0.095 0.000 0.806 143 A HN 0.178 nan 8.150 nan 0.000 0.451 144 Y N -0.255 120.075 120.300 0.051 0.000 2.301 144 Y HA 0.019 4.569 4.550 -0.000 0.000 0.295 144 Y C 2.359 178.401 175.900 0.237 0.000 1.119 144 Y CA 0.867 59.032 58.100 0.109 0.000 1.162 144 Y CB -0.249 38.237 38.460 0.044 0.000 1.046 144 Y HN 0.040 nan 8.280 nan 0.000 0.538 145 V N 0.925 120.925 119.914 0.143 0.000 2.278 145 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 145 V C 2.268 178.476 176.094 0.190 0.000 1.062 145 V CA 2.205 64.579 62.300 0.124 0.000 1.038 145 V CB -0.551 31.326 31.823 0.090 0.000 0.646 145 V HN 0.261 nan 8.190 nan 0.000 0.447 146 K N 0.480 120.956 120.400 0.127 0.000 2.442 146 K HA -0.102 4.218 4.320 -0.000 0.000 0.198 146 K C 2.080 178.707 176.600 0.045 0.000 1.044 146 K CA 1.578 57.919 56.287 0.090 0.000 0.948 146 K CB -0.770 31.772 32.500 0.070 0.000 0.762 146 K HN 0.778 nan 8.250 nan 0.000 0.472 147 T N -2.069 112.480 114.554 -0.008 0.000 3.113 147 T HA 0.067 4.417 4.350 -0.000 0.000 0.256 147 T C 0.532 175.017 174.700 -0.360 0.000 1.131 147 T CA -0.088 61.893 62.100 -0.199 0.000 1.074 147 T CB -0.228 68.444 68.868 -0.328 0.000 0.944 147 T HN -0.157 nan 8.240 nan 0.000 0.516 148 F N 0.338 120.203 119.950 -0.142 0.000 2.422 148 F HA 0.535 5.062 4.527 -0.000 0.000 0.333 148 F C 1.359 177.116 175.800 -0.072 0.000 1.095 148 F CA -1.307 56.621 58.000 -0.120 0.000 1.038 148 F CB 1.616 40.534 39.000 -0.137 0.000 1.156 148 F HN -0.269 nan 8.300 nan 0.000 0.483 149 V N 2.053 122.023 119.914 0.093 0.000 2.343 149 V HA 0.010 4.130 4.120 -0.000 0.000 0.247 149 V C 1.346 177.465 176.094 0.042 0.000 1.051 149 V CA 1.542 63.865 62.300 0.038 0.000 1.036 149 V CB -1.344 30.482 31.823 0.004 0.000 0.654 149 V HN 1.154 nan 8.190 nan 0.000 0.451 153 H N -0.744 118.301 119.070 -0.042 0.000 2.089 153 H HA 0.486 5.042 4.556 -0.000 0.000 0.206 153 H C 1.041 176.357 175.328 -0.021 0.000 0.872 153 H CA 1.186 57.219 56.048 -0.025 0.000 0.979 153 H CB 0.537 30.287 29.762 -0.020 0.000 1.266 153 H HN 0.300 nan 8.280 nan 0.000 0.389 154 G N 1.186 110.037 108.800 0.085 0.000 2.756 154 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.678 154 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.678 154 G C 0.801 175.742 174.900 0.068 0.000 1.349 154 G CA -0.051 45.071 45.100 0.035 0.000 0.847 154 G HN 0.200 nan 8.290 nan 0.000 0.548 155 I N 0.242 120.840 120.570 0.047 0.000 2.127 155 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 155 I C 3.009 179.175 176.117 0.082 0.000 1.075 155 I CA 2.473 63.811 61.300 0.064 0.000 1.334 155 I CB -0.383 37.644 38.000 0.044 0.000 1.040 155 I HN 0.678 nan 8.210 nan 0.000 0.405 156 Q N 0.165 120.012 119.800 0.079 0.000 2.030 156 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 156 Q C 2.315 178.380 176.000 0.110 0.000 0.986 156 Q CA 1.783 57.647 55.803 0.101 0.000 0.843 156 Q CB -0.420 28.368 28.738 0.084 0.000 0.904 156 Q HN 0.343 nan 8.270 nan 0.000 0.420 157 V N 0.782 120.755 119.914 0.098 0.000 2.407 157 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 157 V C 2.203 178.336 176.094 0.067 0.000 1.055 157 V CA 2.068 64.426 62.300 0.097 0.000 1.049 157 V CB -0.604 31.299 31.823 0.132 0.000 0.662 157 V HN 0.460 nan 8.190 nan 0.000 0.455 158 E N 0.402 120.646 120.200 0.072 0.000 2.051 158 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 158 E C 2.463 179.084 176.600 0.035 0.000 0.991 158 E CA 1.458 57.888 56.400 0.051 0.000 0.799 158 E CB -0.120 29.644 29.700 0.107 0.000 0.748 158 E HN 0.502 nan 8.360 nan 0.000 0.449 159 R N 0.359 120.878 120.500 0.032 0.000 2.091 159 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 159 R C 2.066 178.263 176.300 -0.171 0.000 1.136 159 R CA 1.626 57.670 56.100 -0.093 0.000 0.959 159 R CB -0.257 30.036 30.300 -0.013 0.000 0.856 159 R HN 0.313 nan 8.270 nan 0.000 0.437 160 D N 0.465 120.898 120.400 0.054 0.000 2.117 160 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 160 D C 1.731 178.057 176.300 0.043 0.000 0.987 160 D CA 1.273 55.353 54.000 0.134 0.000 0.829 160 D CB -0.035 40.862 40.800 0.162 0.000 0.961 160 D HN 0.210 nan 8.370 nan 0.000 0.460 161 K N 0.053 120.456 120.400 0.006 0.000 2.097 161 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 161 K C 2.158 178.747 176.600 -0.018 0.000 1.050 161 K CA 0.518 56.799 56.287 -0.011 0.000 0.938 161 K CB 0.005 32.473 32.500 -0.054 0.000 0.718 161 K HN 0.155 nan 8.250 nan 0.000 0.442 162 L N 0.327 121.525 121.223 -0.042 0.000 2.418 162 L HA 0.003 4.343 4.340 -0.000 0.000 0.218 162 L C 0.615 177.412 176.870 -0.123 0.000 1.125 162 L CA 0.121 54.929 54.840 -0.054 0.000 0.835 162 L CB -0.452 41.593 42.059 -0.024 0.000 0.953 162 L HN 0.393 nan 8.230 nan 0.000 0.454 163 N N 1.198 119.780 118.700 -0.197 0.000 2.758 163 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 163 N C -0.538 174.719 175.510 -0.420 0.000 1.076 163 N CA 0.367 53.275 53.050 -0.238 0.000 0.696 163 N CB -0.377 38.092 38.487 -0.030 0.000 0.979 163 N HN 0.371 nan 8.380 nan 0.000 0.550 164 K N 1.464 121.446 120.400 -0.697 0.000 2.450 164 K HA 0.396 4.716 4.320 -0.000 0.000 0.257 164 K C -1.422 174.807 176.600 -0.618 0.000 0.953 164 K CA -0.329 55.671 56.287 -0.478 0.000 0.844 164 K CB 1.060 33.411 32.500 -0.248 0.000 1.103 164 K HN 0.108 nan 8.250 nan 0.000 0.429 165 Y N -0.654 119.656 120.300 0.017 0.000 2.562 165 Y HA 0.437 4.987 4.550 -0.000 0.000 0.345 165 Y C 1.024 176.933 175.900 0.015 0.000 1.045 165 Y CA -0.743 57.369 58.100 0.020 0.000 1.028 165 Y CB 2.518 40.989 38.460 0.019 0.000 1.297 165 Y HN 0.751 nan 8.280 nan 0.000 0.463 166 G N 1.308 110.220 108.800 0.187 0.000 2.175 166 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 166 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 166 G C -0.218 174.726 174.900 0.072 0.000 0.982 166 G CA 0.165 45.331 45.100 0.110 0.000 0.641 166 G HN 0.901 nan 8.290 nan 0.000 0.527 167 R N -1.233 119.306 120.500 0.065 0.000 2.712 167 R HA 0.635 4.975 4.340 -0.000 0.000 0.272 167 R C 0.370 176.696 176.300 0.043 0.000 1.032 167 R CA -0.519 55.610 56.100 0.047 0.000 0.874 167 R CB 0.182 30.501 30.300 0.033 0.000 1.256 167 R HN 0.962 nan 8.270 nan 0.000 0.468 168 G N 1.335 110.161 108.800 0.043 0.000 2.554 168 G HA2 0.340 4.300 3.960 -0.000 0.000 0.238 168 G HA3 0.340 4.300 3.960 -0.000 0.000 0.238 168 G C -0.124 174.792 174.900 0.026 0.000 1.259 168 G CA -0.820 44.300 45.100 0.033 0.000 0.843 168 G HN 0.376 nan 8.290 nan 0.000 0.582 169 L N 0.161 121.399 121.223 0.026 0.000 2.418 169 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 169 L C 0.198 177.111 176.870 0.072 0.000 1.143 169 L CA -0.482 54.388 54.840 0.050 0.000 0.809 169 L CB 1.035 43.182 42.059 0.147 0.000 1.124 169 L HN 0.224 nan 8.230 nan 0.000 0.456 170 L N 1.239 122.503 121.223 0.068 0.000 2.341 170 L HA 0.732 5.072 4.340 -0.000 0.000 0.278 170 L C 0.206 177.154 176.870 0.128 0.000 1.005 170 L CA -0.267 54.641 54.840 0.115 0.000 0.818 170 L CB 1.880 43.987 42.059 0.081 0.000 1.259 170 L HN 0.721 nan 8.230 nan 0.000 0.418 171 G N 0.747 109.639 108.800 0.152 0.000 2.949 171 G HA2 0.647 4.607 3.960 -0.000 0.000 0.285 171 G HA3 0.647 4.607 3.960 -0.000 0.000 0.285 171 G C -1.967 172.974 174.900 0.068 0.000 1.395 171 G CA -0.513 44.644 45.100 0.093 0.000 0.901 171 G HN 0.688 nan 8.290 nan 0.000 0.519 172 C N -0.103 119.182 119.300 -0.024 0.000 3.094 172 C HA 0.661 5.121 4.460 -0.000 0.000 0.414 172 C C -0.357 174.599 174.990 -0.057 0.000 0.993 172 C CA -0.447 58.573 59.018 0.003 0.000 1.217 172 C CB 0.517 28.276 27.740 0.031 0.000 1.603 172 C HN 0.850 nan 8.230 nan 0.000 0.564 173 T N 7.097 121.642 114.554 -0.016 0.000 2.780 173 T HA 0.409 4.759 4.350 -0.000 0.000 0.294 173 T C 0.478 175.175 174.700 -0.004 0.000 0.949 173 T CA -0.286 61.812 62.100 -0.003 0.000 1.074 173 T CB 0.396 69.294 68.868 0.050 0.000 0.910 173 T HN 0.577 nan 8.240 nan 0.000 0.501 174 I N 4.073 124.623 120.570 -0.032 0.000 2.648 174 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 174 I C 0.683 176.779 176.117 -0.036 0.000 1.153 174 I CA 0.170 61.391 61.300 -0.133 0.000 1.426 174 I CB -0.106 37.580 38.000 -0.524 0.000 1.381 174 I HN 0.445 nan 8.210 nan 0.000 0.571 175 K N 6.696 127.077 120.400 -0.031 0.000 2.395 175 K HA 0.568 4.888 4.320 -0.000 0.000 0.247 175 K C -2.423 174.184 176.600 0.011 0.000 0.973 175 K CA -1.673 54.626 56.287 0.020 0.000 0.828 175 K CB 1.553 34.077 32.500 0.039 0.000 1.272 175 K HN 0.288 nan 8.250 nan 0.000 0.439 176 P HA 0.127 nan 4.420 nan 0.000 0.270 176 P C 0.258 177.590 177.300 0.054 0.000 1.223 176 P CA -0.131 62.985 63.100 0.027 0.000 0.785 176 P CB 0.849 32.547 31.700 -0.004 0.000 0.923 177 K N 0.346 120.776 120.400 0.050 0.000 2.020 177 K HA -0.089 4.231 4.320 -0.000 0.000 0.212 177 K C 0.784 177.448 176.600 0.107 0.000 1.050 177 K CA 1.288 57.626 56.287 0.084 0.000 0.929 177 K CB -0.301 32.231 32.500 0.053 0.000 0.714 177 K HN 0.402 nan 8.250 nan 0.000 0.443 178 L N -2.085 119.132 121.223 -0.011 0.000 2.333 178 L HA 0.431 4.771 4.340 -0.000 0.000 0.263 178 L C 0.743 177.307 176.870 -0.511 0.000 1.014 178 L CA -0.362 54.357 54.840 -0.203 0.000 0.820 178 L CB 2.243 44.213 42.059 -0.148 0.000 1.352 178 L HN 0.456 nan 8.230 nan 0.000 0.421 179 G N 1.090 109.136 108.800 -1.257 0.000 2.231 179 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.206 179 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.206 179 G C -0.188 174.521 174.900 -0.319 0.000 0.996 179 G CA -0.576 44.008 45.100 -0.859 0.000 0.645 179 G HN 0.312 nan 8.290 nan 0.000 0.498 180 L N 2.525 123.709 121.223 -0.063 0.000 2.350 180 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 180 L C 1.482 178.533 176.870 0.301 0.000 1.099 180 L CA -0.100 54.837 54.840 0.162 0.000 0.808 180 L CB 1.446 43.670 42.059 0.274 0.000 1.149 180 L HN 0.447 nan 8.230 nan 0.000 0.442 181 S N 1.653 117.479 115.700 0.210 0.000 2.600 181 S HA 0.274 4.744 4.470 -0.000 0.000 0.265 181 S C 1.123 175.825 174.600 0.170 0.000 1.325 181 S CA -0.161 58.149 58.200 0.184 0.000 1.002 181 S CB 1.499 64.753 63.200 0.089 0.000 0.921 181 S HN 0.710 nan 8.310 nan 0.000 0.554 182 A N 1.638 124.541 122.820 0.138 0.000 1.892 182 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 182 A C 2.121 179.697 177.584 -0.013 0.000 1.188 182 A CA 2.231 54.376 52.037 0.180 0.000 0.631 182 A CB -1.147 18.059 19.000 0.343 0.000 0.822 182 A HN 0.934 nan 8.150 nan 0.000 0.447 183 K N 0.164 120.322 120.400 -0.403 0.000 2.026 183 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 183 K C 1.680 178.094 176.600 -0.310 0.000 1.048 183 K CA 1.933 57.717 56.287 -0.837 0.000 0.929 183 K CB -0.305 31.749 32.500 -0.742 0.000 0.713 183 K HN 0.445 nan 8.250 nan 0.000 0.439 184 N N -0.540 118.096 118.700 -0.106 0.000 2.244 184 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 184 N C 1.532 177.071 175.510 0.048 0.000 1.016 184 N CA 0.944 53.985 53.050 -0.015 0.000 0.866 184 N CB -0.320 38.181 38.487 0.023 0.000 0.980 184 N HN 0.246 nan 8.380 nan 0.000 0.430 185 Y N 1.346 121.639 120.300 -0.012 0.000 2.114 185 Y HA -0.128 4.422 4.550 -0.000 0.000 0.284 185 Y C 2.462 178.365 175.900 0.005 0.000 1.143 185 Y CA 1.902 60.021 58.100 0.031 0.000 1.135 185 Y CB -0.664 37.843 38.460 0.079 0.000 0.980 185 Y HN 0.066 nan 8.280 nan 0.000 0.499 186 G N -0.609 108.279 108.800 0.147 0.000 2.422 186 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 186 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 186 G C 1.749 176.690 174.900 0.068 0.000 1.146 186 G CA 0.853 46.012 45.100 0.098 0.000 0.769 186 G HN 0.355 nan 8.290 nan 0.000 0.547 187 R N 0.600 121.115 120.500 0.026 0.000 2.083 187 R HA -0.002 4.338 4.340 -0.000 0.000 0.237 187 R C 2.810 179.149 176.300 0.065 0.000 1.137 187 R CA 1.661 57.800 56.100 0.064 0.000 0.951 187 R CB -0.467 29.840 30.300 0.012 0.000 0.851 187 R HN 0.254 nan 8.270 nan 0.000 0.434 188 A N 0.353 123.168 122.820 -0.010 0.000 1.902 188 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 188 A C 2.299 179.851 177.584 -0.053 0.000 1.181 188 A CA 1.624 53.628 52.037 -0.055 0.000 0.623 188 A CB -0.551 18.371 19.000 -0.130 0.000 0.818 188 A HN 0.250 nan 8.150 nan 0.000 0.443 189 V N -1.146 118.743 119.914 -0.041 0.000 2.295 189 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 189 V C 2.387 178.508 176.094 0.046 0.000 1.049 189 V CA 2.170 64.471 62.300 0.002 0.000 1.024 189 V CB -1.056 30.755 31.823 -0.019 0.000 0.648 189 V HN 0.749 nan 8.190 nan 0.000 0.447 190 Y N 1.527 121.815 120.300 -0.021 0.000 2.128 190 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 190 Y C 2.550 178.444 175.900 -0.010 0.000 1.154 190 Y CA 1.993 60.088 58.100 -0.008 0.000 1.149 190 Y CB -0.376 38.085 38.460 0.003 0.000 0.976 190 Y HN 0.282 nan 8.280 nan 0.000 0.505 191 E N -0.459 119.538 120.200 -0.338 0.000 2.110 191 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 191 E C 2.486 178.928 176.600 -0.264 0.000 0.988 191 E CA 1.341 57.492 56.400 -0.415 0.000 0.804 191 E CB -0.864 28.724 29.700 -0.186 0.000 0.745 191 E HN 0.553 nan 8.360 nan 0.000 0.458 192 C N 0.744 119.953 119.300 -0.152 0.000 2.462 192 C HA -0.075 4.385 4.460 -0.000 0.000 0.278 192 C C 2.883 177.808 174.990 -0.107 0.000 1.253 192 C CA 0.380 59.338 59.018 -0.101 0.000 1.713 192 C CB -1.141 26.568 27.740 -0.052 0.000 2.049 192 C HN 0.359 nan 8.230 nan 0.000 0.477 193 L N 1.225 122.391 121.223 -0.094 0.000 2.083 193 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 193 L C 2.897 179.707 176.870 -0.100 0.000 1.083 193 L CA 1.801 56.597 54.840 -0.072 0.000 0.752 193 L CB -0.731 41.319 42.059 -0.016 0.000 0.899 193 L HN 0.488 nan 8.230 nan 0.000 0.433 194 R N 0.387 120.779 120.500 -0.180 0.000 2.237 194 R HA -0.061 4.279 4.340 -0.000 0.000 0.219 194 R C 1.896 178.115 176.300 -0.135 0.000 1.080 194 R CA 1.265 57.261 56.100 -0.172 0.000 0.995 194 R CB -0.667 29.422 30.300 -0.351 0.000 0.875 194 R HN 0.254 nan 8.270 nan 0.000 0.462 195 G N -0.547 108.168 108.800 -0.142 0.000 2.880 195 G HA2 0.241 4.201 3.960 -0.000 0.000 0.209 195 G HA3 0.241 4.201 3.960 -0.000 0.000 0.209 195 G C 0.898 175.747 174.900 -0.085 0.000 1.157 195 G CA 0.293 45.326 45.100 -0.112 0.000 0.779 195 G HN 0.581 nan 8.290 nan 0.000 0.539 196 G N -0.788 107.965 108.800 -0.079 0.000 2.370 196 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.174 196 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.174 196 G C 0.246 175.103 174.900 -0.072 0.000 1.002 196 G CA -0.392 44.668 45.100 -0.066 0.000 0.730 196 G HN 0.305 nan 8.290 nan 0.000 0.497 197 L N 1.372 122.550 121.223 -0.075 0.000 2.397 197 L HA 0.337 4.677 4.340 -0.000 0.000 0.271 197 L C 1.087 177.878 176.870 -0.132 0.000 1.148 197 L CA -0.632 54.165 54.840 -0.072 0.000 0.825 197 L CB 0.597 42.632 42.059 -0.041 0.000 1.117 197 L HN 0.009 nan 8.230 nan 0.000 0.456 198 D N 1.568 121.845 120.400 -0.206 0.000 2.137 198 D HA 0.014 4.654 4.640 -0.000 0.000 0.202 198 D C -0.045 175.875 176.300 -0.634 0.000 0.970 198 D CA 1.602 55.314 54.000 -0.479 0.000 0.837 198 D CB 0.254 40.656 40.800 -0.664 0.000 0.981 198 D HN 0.155 nan 8.370 nan 0.000 0.475 199 F N -0.188 119.720 119.950 -0.070 0.000 2.603 199 F HA 0.323 4.850 4.527 -0.000 0.000 0.317 199 F C 0.678 176.319 175.800 -0.265 0.000 1.066 199 F CA -0.990 56.898 58.000 -0.187 0.000 0.941 199 F CB 1.798 40.623 39.000 -0.292 0.000 1.291 199 F HN -0.330 nan 8.300 nan 0.000 0.472 203 D N 1.161 121.690 120.400 0.214 0.000 2.400 203 D HA -0.025 4.615 4.640 -0.000 0.000 0.238 203 D C 1.563 177.852 176.300 -0.018 0.000 1.157 203 D CA 0.064 54.119 54.000 0.091 0.000 0.889 203 D CB 1.046 41.914 40.800 0.114 0.000 1.199 203 D HN 0.414 nan 8.370 nan 0.000 0.436 204 E N 2.383 122.448 120.200 -0.225 0.000 2.171 204 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 204 E C 0.741 177.236 176.600 -0.174 0.000 0.997 204 E CA 1.321 57.473 56.400 -0.413 0.000 0.810 204 E CB -0.402 28.689 29.700 -1.015 0.000 0.738 204 E HN 0.502 nan 8.360 nan 0.000 0.467 205 N N 0.957 119.608 118.700 -0.081 0.000 2.336 205 N HA 0.002 4.742 4.740 -0.000 0.000 0.189 205 N C 0.062 175.606 175.510 0.055 0.000 1.113 205 N CA -0.046 52.996 53.050 -0.013 0.000 0.858 205 N CB 0.092 38.582 38.487 0.005 0.000 0.970 205 N HN -0.041 nan 8.380 nan 0.000 0.471 206 V N 1.961 121.922 119.914 0.079 0.000 2.370 206 V HA 0.161 4.281 4.120 -0.000 0.000 0.257 206 V C 0.340 176.476 176.094 0.069 0.000 1.064 206 V CA -0.134 62.232 62.300 0.110 0.000 0.975 206 V CB -0.531 31.372 31.823 0.134 0.000 1.067 206 V HN 0.312 nan 8.190 nan 0.000 0.485 207 N N 2.576 121.299 118.700 0.038 0.000 2.871 207 N HA 0.237 4.977 4.740 -0.000 0.000 0.204 207 N C -0.109 175.421 175.510 0.033 0.000 1.233 207 N CA -0.281 52.786 53.050 0.028 0.000 1.124 207 N CB 0.566 39.047 38.487 -0.009 0.000 1.414 207 N HN 0.507 nan 8.380 nan 0.000 0.511 208 S N 0.216 115.910 115.700 -0.010 0.000 2.677 208 S HA 0.450 4.920 4.470 -0.000 0.000 0.283 208 S C -1.809 172.706 174.600 -0.141 0.000 1.159 208 S CA -0.429 57.763 58.200 -0.013 0.000 1.001 208 S CB 1.266 64.577 63.200 0.185 0.000 1.032 208 S HN 0.247 nan 8.310 nan 0.000 0.487 209 Q N 3.404 122.999 119.800 -0.340 0.000 2.495 209 Q HA 0.490 4.830 4.340 -0.000 0.000 0.287 209 Q C -2.080 173.649 176.000 -0.451 0.000 1.078 209 Q CA -1.837 53.694 55.803 -0.453 0.000 0.793 209 Q CB 1.743 30.009 28.738 -0.786 0.000 1.459 209 Q HN 0.276 nan 8.270 nan 0.000 0.422 210 P HA -0.207 nan 4.420 nan 0.000 0.216 210 P C 0.623 177.867 177.300 -0.093 0.000 1.154 210 P CA 1.484 64.517 63.100 -0.111 0.000 0.865 210 P CB 0.013 31.719 31.700 0.010 0.000 0.789 211 F N -2.517 117.443 119.950 0.016 0.000 2.502 211 F HA 0.233 4.760 4.527 -0.000 0.000 0.298 211 F C 0.995 176.807 175.800 0.019 0.000 1.111 211 F CA 0.237 58.249 58.000 0.020 0.000 1.445 211 F CB -0.616 38.400 39.000 0.028 0.000 1.081 211 F HN -0.166 nan 8.300 nan 0.000 0.558 212 M N 1.331 120.691 119.600 -0.399 0.000 2.387 212 M HA 0.317 4.797 4.480 -0.000 0.000 0.215 212 M C -1.428 174.706 176.300 -0.276 0.000 0.973 212 M CA -0.509 54.668 55.300 -0.206 0.000 0.924 212 M CB 0.938 33.511 32.600 -0.045 0.000 2.471 212 M HN -0.194 nan 8.290 nan 0.000 0.445 213 R N 3.605 124.002 120.500 -0.172 0.000 2.490 213 R HA 0.260 4.600 4.340 -0.000 0.000 0.278 213 R C 1.084 177.286 176.300 -0.162 0.000 1.069 213 R CA -0.175 55.818 56.100 -0.177 0.000 1.080 213 R CB 0.518 30.687 30.300 -0.218 0.000 1.030 213 R HN 0.949 nan 8.270 nan 0.000 0.491 214 W N 3.916 125.099 121.300 -0.194 0.000 2.358 214 W HA -0.137 4.523 4.660 0.000 0.000 0.303 214 W C 1.165 177.489 176.519 -0.326 0.000 1.208 214 W CA 0.680 57.877 57.345 -0.246 0.000 1.274 214 W CB -0.452 28.788 29.460 -0.368 0.000 1.138 214 W HN 0.557 nan 8.180 nan 0.000 0.515 215 R N 1.033 120.758 120.500 -1.292 0.000 2.092 215 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 215 R C 1.859 177.902 176.300 -0.429 0.000 1.119 215 R CA 1.954 57.344 56.100 -1.183 0.000 0.970 215 R CB -0.358 29.039 30.300 -1.505 0.000 0.864 215 R HN -0.028 nan 8.270 nan 0.000 0.440 216 D N 0.076 120.280 120.400 -0.326 0.000 2.104 216 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 216 D C 1.853 178.199 176.300 0.076 0.000 0.994 216 D CA 1.157 55.080 54.000 -0.128 0.000 0.830 216 D CB -0.246 40.541 40.800 -0.021 0.000 0.959 216 D HN 0.243 nan 8.370 nan 0.000 0.452 217 R N -0.282 120.303 120.500 0.142 0.000 2.083 217 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 217 R C 2.302 178.808 176.300 0.343 0.000 1.137 217 R CA 1.116 57.371 56.100 0.257 0.000 0.951 217 R CB -0.362 30.047 30.300 0.183 0.000 0.851 217 R HN 0.038 nan 8.270 nan 0.000 0.434 218 F N 1.047 121.039 119.950 0.070 0.000 2.126 218 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 218 F C 2.233 178.047 175.800 0.024 0.000 1.096 218 F CA 1.080 59.136 58.000 0.093 0.000 1.255 218 F CB -0.700 38.409 39.000 0.182 0.000 0.997 218 F HN 0.067 nan 8.300 nan 0.000 0.479 219 L N -1.888 119.412 121.223 0.128 0.000 2.027 219 L HA -0.232 4.108 4.340 -0.000 0.000 0.206 219 L C 2.474 179.310 176.870 -0.057 0.000 1.074 219 L CA 1.195 56.007 54.840 -0.046 0.000 0.745 219 L CB -0.574 41.340 42.059 -0.241 0.000 0.898 219 L HN 0.033 nan 8.230 nan 0.000 0.433 220 F N -0.877 119.106 119.950 0.055 0.000 2.186 220 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 220 F C 2.379 178.188 175.800 0.014 0.000 1.090 220 F CA 0.956 58.979 58.000 0.038 0.000 1.307 220 F CB -0.905 38.125 39.000 0.051 0.000 1.019 220 F HN -0.209 nan 8.300 nan 0.000 0.489 221 V N -0.184 119.833 119.914 0.171 0.000 2.358 221 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 221 V C 2.587 178.649 176.094 -0.053 0.000 1.047 221 V CA 1.636 63.929 62.300 -0.012 0.000 1.035 221 V CB -1.310 30.397 31.823 -0.193 0.000 0.658 221 V HN 0.343 nan 8.190 nan 0.000 0.452 222 A N -0.437 122.361 122.820 -0.037 0.000 1.883 222 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 222 A C 2.290 179.833 177.584 -0.070 0.000 1.186 222 A CA 2.200 54.165 52.037 -0.120 0.000 0.624 222 A CB -0.594 18.419 19.000 0.021 0.000 0.822 222 A HN 0.618 nan 8.150 nan 0.000 0.444 223 E N -0.274 119.969 120.200 0.072 0.000 2.085 223 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 223 E C 2.184 178.827 176.600 0.071 0.000 0.994 223 E CA 1.161 57.632 56.400 0.118 0.000 0.801 223 E CB -0.261 29.519 29.700 0.133 0.000 0.743 223 E HN 0.555 nan 8.360 nan 0.000 0.453 224 A N 1.010 123.864 122.820 0.057 0.000 1.877 224 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 224 A C 2.166 179.797 177.584 0.079 0.000 1.186 224 A CA 1.351 53.438 52.037 0.083 0.000 0.620 224 A CB -0.626 18.440 19.000 0.111 0.000 0.822 224 A HN 0.315 nan 8.150 nan 0.000 0.443 225 I N -1.760 118.783 120.570 -0.045 0.000 2.127 225 I HA -0.298 3.871 4.170 -0.000 0.000 0.241 225 I C 2.382 178.475 176.117 -0.041 0.000 1.075 225 I CA 1.554 62.790 61.300 -0.107 0.000 1.334 225 I CB -0.455 37.357 38.000 -0.314 0.000 1.040 225 I HN 0.383 nan 8.210 nan 0.000 0.405 226 Y N 0.728 121.066 120.300 0.064 0.000 2.293 226 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 226 Y C 2.524 178.448 175.900 0.041 0.000 1.137 226 Y CA 0.997 59.124 58.100 0.046 0.000 1.202 226 Y CB -0.719 37.760 38.460 0.032 0.000 0.990 226 Y HN 0.108 nan 8.280 nan 0.000 0.537 227 K N 0.212 120.711 120.400 0.166 0.000 2.026 227 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 227 K C 2.308 179.020 176.600 0.186 0.000 1.048 227 K CA 1.226 57.562 56.287 0.081 0.000 0.929 227 K CB -0.258 32.153 32.500 -0.149 0.000 0.713 227 K HN 0.209 nan 8.250 nan 0.000 0.439 228 A N 0.984 123.966 122.820 0.269 0.000 1.930 228 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 228 A C 2.083 179.748 177.584 0.136 0.000 1.175 228 A CA 1.641 53.827 52.037 0.249 0.000 0.627 228 A CB -0.597 18.512 19.000 0.182 0.000 0.815 228 A HN 0.564 nan 8.150 nan 0.000 0.443 229 Q N -0.531 119.344 119.800 0.125 0.000 2.050 229 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 229 Q C 2.169 178.225 176.000 0.094 0.000 0.980 229 Q CA 1.635 57.499 55.803 0.102 0.000 0.840 229 Q CB -0.347 28.477 28.738 0.142 0.000 0.898 229 Q HN 0.598 nan 8.270 nan 0.000 0.424 230 A N 0.595 123.480 122.820 0.109 0.000 1.930 230 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 230 A C 1.874 179.500 177.584 0.071 0.000 1.175 230 A CA 1.615 53.699 52.037 0.079 0.000 0.627 230 A CB -0.603 18.439 19.000 0.071 0.000 0.815 230 A HN 0.615 nan 8.150 nan 0.000 0.443 231 E N -0.463 119.794 120.200 0.095 0.000 2.072 231 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 231 E C 1.996 178.632 176.600 0.061 0.000 0.982 231 E CA 1.725 58.180 56.400 0.091 0.000 0.803 231 E CB -0.038 29.753 29.700 0.151 0.000 0.755 231 E HN 0.731 nan 8.360 nan 0.000 0.453 232 T N -3.943 110.642 114.554 0.052 0.000 3.037 232 T HA 0.231 4.581 4.350 -0.000 0.000 0.252 232 T C 1.552 176.266 174.700 0.023 0.000 1.073 232 T CA 0.594 62.710 62.100 0.027 0.000 1.091 232 T CB 0.463 69.337 68.868 0.010 0.000 0.935 232 T HN 0.307 nan 8.240 nan 0.000 0.488 233 G N 1.356 110.175 108.800 0.030 0.000 2.155 233 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 233 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 233 G C -0.265 174.645 174.900 0.016 0.000 0.983 233 G CA 0.322 45.437 45.100 0.026 0.000 0.676 233 G HN 0.681 nan 8.290 nan 0.000 0.528 234 E N -0.593 119.611 120.200 0.006 0.000 2.207 234 E HA 0.526 4.876 4.350 -0.000 0.000 0.270 234 E C 0.255 176.844 176.600 -0.019 0.000 0.927 234 E CA -1.092 55.298 56.400 -0.017 0.000 0.799 234 E CB 2.450 32.126 29.700 -0.040 0.000 1.172 234 E HN 0.058 nan 8.360 nan 0.000 0.404 235 V N 3.704 123.598 119.914 -0.032 0.000 2.599 235 V HA -0.006 4.114 4.120 -0.000 0.000 0.300 235 V C 0.256 176.301 176.094 -0.082 0.000 1.034 235 V CA 0.474 62.758 62.300 -0.027 0.000 1.115 235 V CB 0.016 31.822 31.823 -0.028 0.000 0.934 235 V HN 0.517 nan 8.190 nan 0.000 0.485 236 K N 3.069 123.444 120.400 -0.041 0.000 2.340 236 K HA 0.838 5.158 4.320 -0.000 0.000 0.244 236 K C 0.010 176.614 176.600 0.007 0.000 0.973 236 K CA -0.433 55.808 56.287 -0.076 0.000 0.828 236 K CB 2.445 34.927 32.500 -0.030 0.000 1.226 236 K HN 0.835 nan 8.250 nan 0.000 0.437 237 G N 0.027 108.875 108.800 0.080 0.000 2.684 237 G HA2 0.402 4.362 3.960 -0.000 0.000 0.290 237 G HA3 0.402 4.362 3.960 -0.000 0.000 0.290 237 G C -1.910 173.175 174.900 0.308 0.000 1.425 237 G CA -0.276 44.994 45.100 0.284 0.000 0.822 237 G HN 0.550 nan 8.290 nan 0.000 0.482 238 H N 0.213 119.350 119.070 0.112 0.000 2.934 238 H HA 0.318 4.874 4.556 -0.000 0.000 0.340 238 H C -1.174 174.170 175.328 0.026 0.000 1.008 238 H CA -0.563 55.478 56.048 -0.012 0.000 1.317 238 H CB 1.382 31.131 29.762 -0.022 0.000 1.670 238 H HN 0.365 nan 8.280 nan 0.000 0.516 239 Y N 5.529 125.595 120.300 -0.391 0.000 2.674 239 Y HA 0.112 4.662 4.550 -0.000 0.000 0.354 239 Y C 0.667 176.457 175.900 -0.184 0.000 1.089 239 Y CA -0.539 57.386 58.100 -0.292 0.000 1.444 239 Y CB -0.558 37.672 38.460 -0.383 0.000 1.187 239 Y HN 0.328 nan 8.280 nan 0.000 0.523 240 L N 3.774 125.030 121.223 0.055 0.000 2.319 240 L HA 0.178 4.518 4.340 -0.000 0.000 0.280 240 L C 0.678 177.566 176.870 0.030 0.000 1.099 240 L CA -0.030 54.762 54.840 -0.081 0.000 0.828 240 L CB 0.431 42.077 42.059 -0.688 0.000 1.150 240 L HN 0.615 nan 8.230 nan 0.000 0.442 241 N N 1.956 120.754 118.700 0.163 0.000 2.420 241 N HA 0.176 4.916 4.740 -0.000 0.000 0.262 241 N C 0.610 176.254 175.510 0.225 0.000 1.144 241 N CA -0.105 53.056 53.050 0.184 0.000 0.952 241 N CB 1.048 39.628 38.487 0.155 0.000 1.081 241 N HN 0.780 nan 8.380 nan 0.000 0.480 242 A N 2.735 125.647 122.820 0.155 0.000 2.238 242 A HA 0.062 4.382 4.320 -0.000 0.000 0.210 242 A C 0.699 178.300 177.584 0.028 0.000 1.179 242 A CA 0.030 52.102 52.037 0.058 0.000 0.827 242 A CB 0.033 19.036 19.000 0.005 0.000 0.856 242 A HN 0.591 nan 8.150 nan 0.000 0.488 243 T N 1.865 116.495 114.554 0.128 0.000 2.866 243 T HA 0.426 4.776 4.350 -0.000 0.000 0.293 243 T C 0.220 174.918 174.700 -0.004 0.000 1.005 243 T CA 0.917 63.093 62.100 0.126 0.000 1.162 243 T CB 0.505 69.385 68.868 0.021 0.000 0.968 243 T HN 0.693 nan 8.240 nan 0.000 0.530 244 A N 2.579 125.390 122.820 -0.016 0.000 2.583 244 A HA 0.818 5.138 4.320 -0.000 0.000 0.289 244 A C 1.307 178.861 177.584 -0.050 0.000 1.151 244 A CA -0.311 51.680 52.037 -0.077 0.000 0.695 244 A CB 0.712 19.617 19.000 -0.158 0.000 1.290 244 A HN 0.748 nan 8.150 nan 0.000 0.419 245 G N -0.786 107.979 108.800 -0.058 0.000 2.448 245 G HA2 0.343 4.303 3.960 -0.000 0.000 0.218 245 G HA3 0.343 4.303 3.960 -0.000 0.000 0.218 245 G C 0.674 175.550 174.900 -0.039 0.000 1.135 245 G CA 1.741 46.816 45.100 -0.042 0.000 0.784 245 G HN 1.593 nan 8.290 nan 0.000 0.543 246 T N -4.235 110.287 114.554 -0.053 0.000 2.896 246 T HA 0.302 4.652 4.350 -0.000 0.000 0.297 246 T C 0.909 175.568 174.700 -0.069 0.000 1.108 246 T CA -0.278 61.792 62.100 -0.050 0.000 1.004 246 T CB 1.396 70.236 68.868 -0.047 0.000 1.159 246 T HN -0.076 nan 8.240 nan 0.000 0.499 247 C N 0.831 120.094 119.300 -0.061 0.000 2.425 247 C HA -0.021 4.439 4.460 -0.000 0.000 0.277 247 C C 2.611 177.538 174.990 -0.106 0.000 1.280 247 C CA 0.923 59.893 59.018 -0.081 0.000 1.744 247 C CB -1.329 26.375 27.740 -0.059 0.000 1.989 247 C HN 1.017 nan 8.230 nan 0.000 0.491 248 E N 0.877 121.025 120.200 -0.086 0.000 2.077 248 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 248 E C 2.236 178.762 176.600 -0.125 0.000 0.989 248 E CA 0.966 57.312 56.400 -0.090 0.000 0.800 248 E CB -0.291 29.374 29.700 -0.058 0.000 0.746 248 E HN 0.514 nan 8.360 nan 0.000 0.452 249 E N 0.162 120.283 120.200 -0.132 0.000 2.072 249 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 249 E C 2.016 178.434 176.600 -0.303 0.000 0.985 249 E CA 0.790 57.072 56.400 -0.197 0.000 0.801 249 E CB -0.273 29.325 29.700 -0.170 0.000 0.750 249 E HN 0.322 nan 8.360 nan 0.000 0.452 250 M N -0.241 119.214 119.600 -0.241 0.000 2.080 250 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 250 M C 1.927 178.043 176.300 -0.307 0.000 1.068 250 M CA 1.430 56.575 55.300 -0.258 0.000 1.109 250 M CB -0.004 32.479 32.600 -0.196 0.000 1.342 250 M HN 0.029 nan 8.290 nan 0.000 0.405 251 M N 0.181 119.609 119.600 -0.286 0.000 2.175 251 M HA -0.166 4.314 4.480 -0.000 0.000 0.264 251 M C 1.926 178.028 176.300 -0.329 0.000 1.063 251 M CA 1.701 56.790 55.300 -0.351 0.000 1.119 251 M CB -1.199 31.232 32.600 -0.281 0.000 1.377 251 M HN 0.274 nan 8.290 nan 0.000 0.415 252 K N -0.235 120.007 120.400 -0.265 0.000 2.103 252 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 252 K C 2.153 178.571 176.600 -0.303 0.000 1.048 252 K CA 1.286 57.453 56.287 -0.200 0.000 0.930 252 K CB -0.048 32.375 32.500 -0.129 0.000 0.716 252 K HN 0.319 nan 8.250 nan 0.000 0.444 253 R N -0.031 120.113 120.500 -0.593 0.000 2.073 253 R HA -0.029 4.311 4.340 -0.000 0.000 0.229 253 R C 2.385 178.645 176.300 -0.068 0.000 1.120 253 R CA 1.122 56.800 56.100 -0.704 0.000 0.967 253 R CB -0.295 29.478 30.300 -0.879 0.000 0.862 253 R HN 0.154 nan 8.270 nan 0.000 0.436 254 A N 1.222 123.951 122.820 -0.151 0.000 1.902 254 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 254 A C 1.416 179.011 177.584 0.018 0.000 1.181 254 A CA 0.892 52.875 52.037 -0.089 0.000 0.623 254 A CB -0.500 18.274 19.000 -0.376 0.000 0.818 254 A HN 0.055 nan 8.150 nan 0.000 0.443 258 K N 0.500 121.036 120.400 0.227 0.000 2.032 258 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 258 K C 1.289 177.987 176.600 0.164 0.000 1.048 258 K CA 1.872 58.277 56.287 0.197 0.000 0.927 258 K CB -0.113 32.532 32.500 0.242 0.000 0.712 258 K HN 0.423 nan 8.250 nan 0.000 0.441 259 E N 0.598 120.901 120.200 0.172 0.000 2.274 259 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 259 E C 1.909 178.595 176.600 0.142 0.000 0.996 259 E CA 0.626 57.110 56.400 0.140 0.000 0.840 259 E CB 0.073 29.851 29.700 0.131 0.000 0.772 259 E HN 0.420 nan 8.360 nan 0.000 0.491 260 L N -0.463 120.866 121.223 0.175 0.000 2.558 260 L HA 0.123 4.463 4.340 -0.000 0.000 0.225 260 L C 1.388 178.403 176.870 0.241 0.000 1.128 260 L CA 0.453 55.411 54.840 0.198 0.000 0.868 260 L CB -0.076 42.104 42.059 0.201 0.000 1.006 260 L HN 0.184 nan 8.230 nan 0.000 0.454 261 G N 0.763 109.679 108.800 0.195 0.000 2.153 261 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 261 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 261 G C 0.398 175.434 174.900 0.226 0.000 0.994 261 G CA 0.310 45.529 45.100 0.198 0.000 0.698 261 G HN 0.262 nan 8.290 nan 0.000 0.521 262 V N -2.167 117.847 119.914 0.168 0.000 2.881 262 V HA 0.696 4.816 4.120 -0.000 0.000 0.303 262 V C 0.004 176.150 176.094 0.086 0.000 1.070 262 V CA -0.856 61.496 62.300 0.086 0.000 1.074 262 V CB 1.213 33.033 31.823 -0.005 0.000 1.012 262 V HN 0.054 nan 8.190 nan 0.000 0.482 263 P HA 0.257 nan 4.420 nan 0.000 0.227 263 P C 0.122 177.456 177.300 0.057 0.000 1.161 263 P CA 0.762 63.912 63.100 0.083 0.000 0.788 263 P CB 0.550 32.328 31.700 0.129 0.000 0.822 264 I N -0.218 120.390 120.570 0.063 0.000 2.775 264 I HA 0.376 4.546 4.170 -0.000 0.000 0.295 264 I C -1.215 174.913 176.117 0.019 0.000 1.287 264 I CA -1.584 59.725 61.300 0.016 0.000 1.029 264 I CB 2.342 40.337 38.000 -0.008 0.000 1.282 264 I HN -0.248 nan 8.210 nan 0.000 0.426 265 I N 4.518 125.081 120.570 -0.012 0.000 3.108 265 I HA 0.692 4.862 4.170 -0.000 0.000 0.312 265 I C -0.930 175.189 176.117 0.002 0.000 1.095 265 I CA -0.942 60.364 61.300 0.010 0.000 1.000 265 I CB 2.197 40.220 38.000 0.038 0.000 1.229 265 I HN 0.701 nan 8.210 nan 0.000 0.454 266 M N 1.758 121.400 119.600 0.070 0.000 2.690 266 M HA 0.655 5.135 4.480 -0.000 0.000 0.302 266 M C -1.538 174.872 176.300 0.183 0.000 1.234 266 M CA -0.546 54.828 55.300 0.123 0.000 0.853 266 M CB 2.251 34.978 32.600 0.212 0.000 1.748 266 M HN 0.811 nan 8.290 nan 0.000 0.469 267 H N -0.349 118.752 119.070 0.052 0.000 2.954 267 H HA 0.440 4.996 4.556 -0.000 0.000 0.361 267 H C -2.000 173.371 175.328 0.073 0.000 1.122 267 H CA -0.511 55.558 56.048 0.035 0.000 1.217 267 H CB 1.778 31.544 29.762 0.007 0.000 1.776 267 H HN 0.768 nan 8.280 nan 0.000 0.533 268 D N 4.893 125.032 120.400 -0.435 0.000 2.422 268 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 268 D C 0.711 176.690 176.300 -0.534 0.000 1.190 268 D CA -0.151 53.663 54.000 -0.309 0.000 0.905 268 D CB -0.039 40.619 40.800 -0.236 0.000 1.034 268 D HN 0.622 nan 8.370 nan 0.000 0.507 269 Y N 1.072 121.102 120.300 -0.450 0.000 2.439 269 Y HA 0.003 4.553 4.550 -0.000 0.000 0.292 269 Y C 1.313 176.917 175.900 -0.495 0.000 1.130 269 Y CA 0.730 58.580 58.100 -0.416 0.000 1.254 269 Y CB -0.403 37.910 38.460 -0.245 0.000 1.000 269 Y HN 0.231 nan 8.280 nan 0.000 0.554 270 L N 0.368 121.055 121.223 -0.893 0.000 2.202 270 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 270 L C 2.605 179.204 176.870 -0.452 0.000 1.083 270 L CA 1.414 55.760 54.840 -0.825 0.000 0.790 270 L CB -0.664 40.949 42.059 -0.744 0.000 0.942 270 L HN 0.413 nan 8.230 nan 0.000 0.452 271 T N -3.571 110.780 114.554 -0.340 0.000 2.937 271 T HA 0.001 4.351 4.350 -0.000 0.000 0.260 271 T C 1.898 176.481 174.700 -0.195 0.000 1.051 271 T CA 0.810 62.775 62.100 -0.224 0.000 1.141 271 T CB -0.499 68.268 68.868 -0.170 0.000 0.879 271 T HN 0.296 nan 8.240 nan 0.000 0.459 272 G N 1.406 110.058 108.800 -0.247 0.000 2.394 272 G HA2 0.425 4.385 3.960 -0.000 0.000 0.215 272 G HA3 0.425 4.385 3.960 -0.000 0.000 0.215 272 G C 0.874 175.743 174.900 -0.052 0.000 1.165 272 G CA 0.259 45.297 45.100 -0.103 0.000 0.784 272 G HN 1.260 nan 8.290 nan 0.000 0.535 273 G N -2.025 106.683 108.800 -0.154 0.000 2.539 273 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.686 273 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.686 273 G C 0.108 174.946 174.900 -0.104 0.000 1.258 273 G CA -0.178 44.813 45.100 -0.182 0.000 0.846 273 G HN 0.074 nan 8.290 nan 0.000 0.647 274 F N 0.605 120.548 119.950 -0.011 0.000 2.171 274 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 274 F C 3.104 178.927 175.800 0.037 0.000 1.090 274 F CA 2.302 60.311 58.000 0.015 0.000 1.293 274 F CB -0.574 38.381 39.000 -0.074 0.000 1.013 274 F HN 0.553 nan 8.300 nan 0.000 0.486 275 T N -0.193 114.479 114.554 0.198 0.000 2.674 275 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 275 T C 2.327 177.074 174.700 0.077 0.000 1.039 275 T CA 1.452 63.624 62.100 0.120 0.000 1.150 275 T CB -0.712 68.205 68.868 0.082 0.000 0.864 275 T HN 0.275 nan 8.240 nan 0.000 0.427 276 A N 1.937 124.793 122.820 0.061 0.000 1.902 276 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 276 A C 2.263 179.810 177.584 -0.061 0.000 1.181 276 A CA 1.623 53.659 52.037 -0.002 0.000 0.623 276 A CB -0.814 18.201 19.000 0.025 0.000 0.818 276 A HN 0.549 nan 8.150 nan 0.000 0.443 277 N N -0.566 118.180 118.700 0.076 0.000 2.084 277 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 277 N C 1.625 177.161 175.510 0.044 0.000 1.030 277 N CA 2.041 55.139 53.050 0.079 0.000 0.849 277 N CB -0.147 38.508 38.487 0.280 0.000 1.012 277 N HN 0.437 nan 8.380 nan 0.000 0.423 278 T N 0.104 114.718 114.554 0.100 0.000 2.746 278 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 278 T C 2.120 176.840 174.700 0.034 0.000 1.039 278 T CA 1.201 63.351 62.100 0.084 0.000 1.142 278 T CB -0.271 68.668 68.868 0.117 0.000 0.866 278 T HN 0.210 nan 8.240 nan 0.000 0.444 279 S N 1.319 117.027 115.700 0.013 0.000 2.359 279 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 279 S C 1.934 176.532 174.600 -0.003 0.000 1.035 279 S CA 0.814 59.013 58.200 -0.001 0.000 1.018 279 S CB -0.503 62.683 63.200 -0.023 0.000 0.876 279 S HN 0.247 nan 8.310 nan 0.000 0.448 280 L N 1.753 122.935 121.223 -0.068 0.000 2.056 280 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 280 L C 2.362 179.241 176.870 0.014 0.000 1.078 280 L CA 1.764 56.559 54.840 -0.074 0.000 0.749 280 L CB -1.024 40.886 42.059 -0.249 0.000 0.901 280 L HN 0.252 nan 8.230 nan 0.000 0.433 281 A N -0.362 122.452 122.820 -0.009 0.000 1.902 281 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 281 A C 2.270 179.849 177.584 -0.008 0.000 1.181 281 A CA 2.126 54.157 52.037 -0.011 0.000 0.623 281 A CB -0.863 18.127 19.000 -0.017 0.000 0.818 281 A HN 0.499 nan 8.150 nan 0.000 0.443 282 I N -2.203 118.374 120.570 0.013 0.000 2.226 282 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 282 I C 2.441 178.568 176.117 0.018 0.000 1.100 282 I CA 1.694 62.997 61.300 0.005 0.000 1.374 282 I CB -0.391 37.618 38.000 0.015 0.000 1.057 282 I HN 0.534 nan 8.210 nan 0.000 0.413 283 Y N 0.951 121.226 120.300 -0.041 0.000 2.165 283 Y HA -0.339 4.211 4.550 -0.000 0.000 0.286 283 Y C 2.732 178.622 175.900 -0.016 0.000 1.155 283 Y CA 1.687 59.770 58.100 -0.028 0.000 1.164 283 Y CB -0.414 38.026 38.460 -0.033 0.000 0.978 283 Y HN 0.197 nan 8.280 nan 0.000 0.513 284 C N 0.114 119.473 119.300 0.098 0.000 2.429 284 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 284 C C 2.744 177.708 174.990 -0.044 0.000 1.262 284 C CA 1.470 60.520 59.018 0.053 0.000 1.733 284 C CB -1.246 26.543 27.740 0.082 0.000 2.010 284 C HN 0.586 nan 8.230 nan 0.000 0.483 285 R N 1.744 122.163 120.500 -0.135 0.000 2.091 285 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 285 R C 1.463 177.684 176.300 -0.133 0.000 1.136 285 R CA 2.058 58.033 56.100 -0.209 0.000 0.959 285 R CB -0.841 29.350 30.300 -0.182 0.000 0.856 285 R HN 0.443 nan 8.270 nan 0.000 0.437 286 D N -0.542 119.761 120.400 -0.161 0.000 2.347 286 D HA -0.014 4.626 4.640 -0.000 0.000 0.215 286 D C 0.398 176.575 176.300 -0.204 0.000 0.976 286 D CA 0.729 54.628 54.000 -0.169 0.000 0.884 286 D CB 0.074 40.768 40.800 -0.178 0.000 0.915 286 D HN 0.355 nan 8.370 nan 0.000 0.526 287 N N -0.794 117.755 118.700 -0.251 0.000 2.159 287 N HA 0.104 4.844 4.740 -0.000 0.000 0.217 287 N C 0.843 176.323 175.510 -0.049 0.000 1.223 287 N CA 0.365 53.284 53.050 -0.217 0.000 0.896 287 N CB 1.973 40.180 38.487 -0.465 0.000 1.064 287 N HN 0.054 nan 8.380 nan 0.000 0.518 288 G N 1.755 110.583 108.800 0.046 0.000 2.176 288 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 288 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 288 G C -0.178 174.772 174.900 0.083 0.000 1.024 288 G CA 0.068 45.251 45.100 0.137 0.000 0.755 288 G HN 0.227 nan 8.290 nan 0.000 0.507 289 L N -0.018 121.298 121.223 0.155 0.000 2.307 289 L HA 0.552 4.892 4.340 -0.000 0.000 0.282 289 L C 1.185 178.135 176.870 0.134 0.000 1.051 289 L CA -1.025 53.879 54.840 0.106 0.000 0.804 289 L CB 1.182 43.320 42.059 0.131 0.000 1.197 289 L HN 0.078 nan 8.230 nan 0.000 0.431 290 L N 3.667 124.878 121.223 -0.019 0.000 2.439 290 L HA 0.222 4.562 4.340 -0.000 0.000 0.269 290 L C -0.399 176.418 176.870 -0.088 0.000 1.179 290 L CA -0.260 54.550 54.840 -0.051 0.000 0.828 290 L CB 0.881 42.835 42.059 -0.176 0.000 1.106 290 L HN 0.385 nan 8.230 nan 0.000 0.467 291 L N 2.754 123.894 121.223 -0.138 0.000 2.342 291 L HA 0.345 4.685 4.340 -0.000 0.000 0.276 291 L C -0.560 176.130 176.870 -0.300 0.000 0.997 291 L CA -0.228 54.519 54.840 -0.156 0.000 0.838 291 L CB 1.034 43.050 42.059 -0.072 0.000 1.224 291 L HN 0.456 nan 8.230 nan 0.000 0.416 292 H N 5.356 124.144 119.070 -0.470 0.000 2.562 292 H HA 0.562 5.118 4.556 -0.000 0.000 0.314 292 H C -0.852 174.356 175.328 -0.199 0.000 1.079 292 H CA -0.458 55.273 56.048 -0.529 0.000 1.349 292 H CB 0.765 29.940 29.762 -0.979 0.000 1.432 292 H HN 0.497 nan 8.280 nan 0.000 0.479 293 I N 5.806 126.048 120.570 -0.546 0.000 2.339 293 I HA 0.115 4.285 4.170 -0.000 0.000 0.290 293 I C 0.093 176.071 176.117 -0.232 0.000 0.994 293 I CA -0.418 60.713 61.300 -0.282 0.000 1.191 293 I CB 0.856 38.665 38.000 -0.318 0.000 1.343 293 I HN 0.726 nan 8.210 nan 0.000 0.458 294 H N 7.438 126.441 119.070 -0.112 0.000 2.473 294 H HA 0.315 4.871 4.556 -0.000 0.000 0.327 294 H C 0.370 175.671 175.328 -0.045 0.000 1.105 294 H CA -0.413 55.526 56.048 -0.180 0.000 1.280 294 H CB 1.449 31.127 29.762 -0.139 0.000 1.450 294 H HN 0.578 nan 8.280 nan 0.000 0.492 295 R N 3.093 123.407 120.500 -0.311 0.000 2.568 295 R HA 0.406 4.746 4.340 -0.000 0.000 0.288 295 R C 0.169 176.487 176.300 0.030 0.000 1.077 295 R CA -0.438 55.662 56.100 0.000 0.000 1.102 295 R CB -0.025 30.240 30.300 -0.059 0.000 1.278 295 R HN 0.372 nan 8.270 nan 0.000 0.560 296 A N 1.585 124.518 122.820 0.188 0.000 2.598 296 A HA 0.012 4.332 4.320 -0.000 0.000 0.239 296 A C 0.956 178.537 177.584 -0.005 0.000 1.032 296 A CA 1.038 53.170 52.037 0.157 0.000 0.760 296 A CB -0.236 18.832 19.000 0.114 0.000 0.946 296 A HN 0.877 nan 8.150 nan 0.000 0.512 297 M N 0.400 119.981 119.600 -0.031 0.000 3.007 297 M HA -0.309 4.171 4.480 -0.000 0.000 0.210 297 M C 1.013 177.245 176.300 -0.113 0.000 0.585 297 M CA 1.960 57.202 55.300 -0.097 0.000 0.804 297 M CB -2.038 30.492 32.600 -0.116 0.000 2.870 297 M HN 1.279 nan 8.290 nan 0.000 0.297 298 H N -0.713 118.289 119.070 -0.115 0.000 2.387 298 H HA 0.181 4.737 4.556 -0.000 0.000 0.299 298 H C 1.725 177.015 175.328 -0.062 0.000 1.099 298 H CA 2.089 58.095 56.048 -0.069 0.000 1.315 298 H CB -0.548 29.199 29.762 -0.025 0.000 1.380 298 H HN 0.510 nan 8.280 nan 0.000 0.513 299 A N 1.109 123.377 122.820 -0.921 0.000 2.119 299 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 299 A C 2.502 179.931 177.584 -0.259 0.000 1.153 299 A CA 1.029 52.700 52.037 -0.610 0.000 0.692 299 A CB -0.711 17.920 19.000 -0.615 0.000 0.799 299 A HN 0.361 nan 8.150 nan 0.000 0.458 300 V N -0.142 119.653 119.914 -0.198 0.000 2.392 300 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 300 V C 2.226 178.286 176.094 -0.057 0.000 1.059 300 V CA 2.228 64.466 62.300 -0.104 0.000 1.051 300 V CB -0.549 31.222 31.823 -0.087 0.000 0.658 300 V HN 0.621 nan 8.190 nan 0.000 0.455 301 I N 0.501 121.038 120.570 -0.055 0.000 2.927 301 I HA -0.009 4.161 4.170 -0.000 0.000 0.268 301 I C 1.674 177.798 176.117 0.011 0.000 1.153 301 I CA 1.079 62.373 61.300 -0.011 0.000 1.459 301 I CB -0.101 37.902 38.000 0.005 0.000 1.149 301 I HN 0.454 nan 8.210 nan 0.000 0.443 302 D N -0.395 120.003 120.400 -0.005 0.000 2.433 302 D HA -0.023 4.617 4.640 -0.000 0.000 0.211 302 D C 1.809 178.094 176.300 -0.026 0.000 1.114 302 D CA -0.057 53.948 54.000 0.008 0.000 0.837 302 D CB 0.061 40.905 40.800 0.073 0.000 0.984 302 D HN -0.052 nan 8.370 nan 0.000 0.505 303 R N 0.242 120.720 120.500 -0.036 0.000 2.062 303 R HA 0.065 4.405 4.340 -0.000 0.000 0.226 303 R C 0.474 176.788 176.300 0.022 0.000 1.125 303 R CA 1.085 57.167 56.100 -0.029 0.000 0.966 303 R CB -0.102 30.162 30.300 -0.060 0.000 0.861 303 R HN 0.044 nan 8.270 nan 0.000 0.433 304 Q N 0.489 120.317 119.800 0.047 0.000 2.259 304 Q HA 0.080 4.420 4.340 -0.000 0.000 0.249 304 Q C 0.328 176.392 176.000 0.107 0.000 0.914 304 Q CA 0.030 55.878 55.803 0.076 0.000 0.904 304 Q CB 1.377 30.166 28.738 0.086 0.000 1.213 304 Q HN 0.237 nan 8.270 nan 0.000 0.428 305 R N 2.194 122.757 120.500 0.106 0.000 2.115 305 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 305 R C 1.305 177.680 176.300 0.124 0.000 1.111 305 R CA 1.620 57.793 56.100 0.121 0.000 0.976 305 R CB 0.281 30.642 30.300 0.102 0.000 0.870 305 R HN 0.653 nan 8.270 nan 0.000 0.445 306 N N -1.134 117.643 118.700 0.129 0.000 2.405 306 N HA -0.103 4.637 4.740 -0.000 0.000 0.175 306 N C -0.352 175.285 175.510 0.212 0.000 1.051 306 N CA 0.667 53.801 53.050 0.140 0.000 0.899 306 N CB 0.105 38.664 38.487 0.119 0.000 1.000 306 N HN 0.264 nan 8.380 nan 0.000 0.451 307 H N -1.391 117.751 119.070 0.120 0.000 3.029 307 H HA 0.575 5.131 4.556 -0.000 0.000 0.358 307 H C 0.071 175.506 175.328 0.177 0.000 1.129 307 H CA 0.387 56.538 56.048 0.172 0.000 1.230 307 H CB 1.486 31.336 29.762 0.146 0.000 1.827 307 H HN 0.341 nan 8.280 nan 0.000 0.530 308 G N 2.501 111.256 108.800 -0.075 0.000 2.255 308 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.216 308 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.216 308 G C -1.565 173.348 174.900 0.021 0.000 1.307 308 G CA -0.321 44.763 45.100 -0.026 0.000 1.162 308 G HN 0.645 nan 8.290 nan 0.000 0.494 309 I N 0.959 121.536 120.570 0.012 0.000 2.499 309 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 309 I C 0.168 176.343 176.117 0.098 0.000 1.048 309 I CA -0.881 60.444 61.300 0.041 0.000 1.062 309 I CB 1.994 39.991 38.000 -0.006 0.000 1.238 309 I HN 0.671 nan 8.210 nan 0.000 0.426 310 H N 4.826 123.924 119.070 0.047 0.000 2.871 310 H HA -0.013 4.543 4.556 -0.000 0.000 0.355 310 H C 0.461 175.854 175.328 0.108 0.000 1.092 310 H CA 0.709 56.816 56.048 0.098 0.000 1.420 310 H CB 1.032 30.848 29.762 0.090 0.000 1.400 310 H HN 0.647 nan 8.280 nan 0.000 0.604 311 F N 5.216 124.977 119.950 -0.315 0.000 2.250 311 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 311 F C 2.590 178.329 175.800 -0.103 0.000 1.077 311 F CA 1.703 59.571 58.000 -0.220 0.000 1.348 311 F CB -0.110 38.607 39.000 -0.472 0.000 1.040 311 F HN 0.678 nan 8.300 nan 0.000 0.509 312 R N -0.345 120.245 120.500 0.150 0.000 2.127 312 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 312 R C 1.765 178.035 176.300 -0.051 0.000 1.134 312 R CA 1.933 58.057 56.100 0.041 0.000 0.975 312 R CB -1.403 29.083 30.300 0.309 0.000 0.865 312 R HN 0.295 nan 8.270 nan 0.000 0.447 313 V N 1.925 121.842 119.914 0.004 0.000 2.379 313 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 313 V C 2.495 178.617 176.094 0.047 0.000 1.044 313 V CA 1.484 63.788 62.300 0.008 0.000 1.036 313 V CB -0.419 31.390 31.823 -0.023 0.000 0.664 313 V HN 0.270 nan 8.190 nan 0.000 0.453 314 L N 0.258 121.475 121.223 -0.010 0.000 2.131 314 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 314 L C 2.692 179.479 176.870 -0.138 0.000 1.092 314 L CA 1.484 56.370 54.840 0.077 0.000 0.759 314 L CB -0.816 41.292 42.059 0.082 0.000 0.903 314 L HN 0.370 nan 8.230 nan 0.000 0.435 315 A N 0.168 122.621 122.820 -0.610 0.000 1.897 315 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 315 A C 2.355 179.829 177.584 -0.182 0.000 1.181 315 A CA 1.316 53.029 52.037 -0.541 0.000 0.620 315 A CB -0.268 18.305 19.000 -0.711 0.000 0.821 315 A HN 0.270 nan 8.150 nan 0.000 0.443 316 K N -0.190 120.193 120.400 -0.029 0.000 2.063 316 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 316 K C 2.306 178.960 176.600 0.090 0.000 1.048 316 K CA 1.203 57.596 56.287 0.176 0.000 0.928 316 K CB -0.355 32.276 32.500 0.219 0.000 0.713 316 K HN 0.439 nan 8.250 nan 0.000 0.442 317 A N 1.882 124.744 122.820 0.069 0.000 1.902 317 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 317 A C 2.062 179.638 177.584 -0.013 0.000 1.181 317 A CA 1.097 53.136 52.037 0.003 0.000 0.623 317 A CB -0.551 18.502 19.000 0.087 0.000 0.818 317 A HN 0.249 nan 8.150 nan 0.000 0.443 318 L N -0.394 120.839 121.223 0.017 0.000 2.056 318 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 318 L C 2.480 179.226 176.870 -0.207 0.000 1.078 318 L CA 2.292 57.030 54.840 -0.170 0.000 0.749 318 L CB -0.865 40.842 42.059 -0.586 0.000 0.901 318 L HN 0.541 nan 8.230 nan 0.000 0.433 319 R N -0.523 119.837 120.500 -0.234 0.000 2.105 319 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 319 R C 2.297 178.444 176.300 -0.255 0.000 1.135 319 R CA 1.937 57.846 56.100 -0.318 0.000 0.967 319 R CB -0.112 29.843 30.300 -0.576 0.000 0.861 319 R HN 0.373 nan 8.270 nan 0.000 0.442 320 M N -1.056 118.404 119.600 -0.233 0.000 2.123 320 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 320 M C 2.501 178.683 176.300 -0.196 0.000 1.069 320 M CA 1.699 56.766 55.300 -0.387 0.000 1.133 320 M CB -0.183 31.902 32.600 -0.858 0.000 1.356 320 M HN 0.133 nan 8.290 nan 0.000 0.415 321 S N -0.292 115.347 115.700 -0.101 0.000 2.368 321 S HA 0.085 4.555 4.470 -0.000 0.000 0.224 321 S C 0.843 175.469 174.600 0.043 0.000 1.029 321 S CA 1.245 59.488 58.200 0.072 0.000 0.988 321 S CB -0.336 62.993 63.200 0.214 0.000 0.838 321 S HN 0.656 nan 8.310 nan 0.000 0.462 322 G N -1.505 107.271 108.800 -0.041 0.000 3.088 322 G HA2 0.423 4.383 3.960 -0.000 0.000 0.620 322 G HA3 0.423 4.383 3.960 -0.000 0.000 0.620 322 G C -0.338 174.495 174.900 -0.111 0.000 1.375 322 G CA -0.456 44.600 45.100 -0.073 0.000 1.016 322 G HN 1.034 nan 8.290 nan 0.000 0.590 323 G N 0.607 109.319 108.800 -0.147 0.000 2.733 323 G HA2 0.597 4.557 3.960 -0.000 0.000 0.297 323 G HA3 0.597 4.557 3.960 -0.000 0.000 0.297 323 G C -0.115 174.695 174.900 -0.150 0.000 1.452 323 G CA 0.167 45.167 45.100 -0.166 0.000 0.940 323 G HN 0.340 nan 8.290 nan 0.000 0.547 324 D N -0.213 120.097 120.400 -0.150 0.000 2.240 324 D HA 0.074 4.714 4.640 -0.000 0.000 0.206 324 D C 0.397 176.709 176.300 0.019 0.000 0.963 324 D CA 1.118 55.062 54.000 -0.094 0.000 0.863 324 D CB 0.294 41.019 40.800 -0.125 0.000 0.973 324 D HN 0.591 nan 8.370 nan 0.000 0.501 325 H N -0.839 118.098 119.070 -0.222 0.000 2.690 325 H HA 0.552 5.108 4.556 -0.000 0.000 0.368 325 H C -1.106 174.012 175.328 -0.351 0.000 1.150 325 H CA -1.085 54.800 56.048 -0.271 0.000 1.174 325 H CB 2.674 32.247 29.762 -0.315 0.000 1.684 325 H HN -0.129 nan 8.280 nan 0.000 0.538 326 L N 1.924 123.062 121.223 -0.141 0.000 2.464 326 L HA 0.232 4.572 4.340 -0.000 0.000 0.266 326 L C -0.772 176.056 176.870 -0.070 0.000 0.965 326 L CA -0.418 54.333 54.840 -0.147 0.000 0.833 326 L CB 1.554 43.542 42.059 -0.119 0.000 1.296 326 L HN 0.713 nan 8.230 nan 0.000 0.405 327 H N 2.658 121.600 119.070 -0.213 0.000 2.964 327 H HA 0.135 4.691 4.556 -0.000 0.000 0.328 327 H C 0.336 175.580 175.328 -0.139 0.000 1.030 327 H CA 0.897 56.825 56.048 -0.199 0.000 1.445 327 H CB 0.973 30.543 29.762 -0.320 0.000 1.449 327 H HN 0.780 nan 8.280 nan 0.000 0.581 328 S N 1.836 117.542 115.700 0.009 0.000 2.578 328 S HA 0.292 4.762 4.470 -0.000 0.000 0.228 328 S C 1.012 175.726 174.600 0.191 0.000 1.022 328 S CA 0.118 58.456 58.200 0.231 0.000 0.967 328 S CB 1.100 64.545 63.200 0.409 0.000 0.914 328 S HN 1.081 nan 8.310 nan 0.000 0.515 329 G N 1.152 109.958 108.800 0.009 0.000 2.756 329 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.678 329 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.678 329 G C 0.289 175.255 174.900 0.110 0.000 1.349 329 G CA 0.269 45.387 45.100 0.031 0.000 0.847 329 G HN 1.035 nan 8.290 nan 0.000 0.548 330 T N -3.351 111.240 114.554 0.062 0.000 2.954 330 T HA 0.640 4.990 4.350 -0.000 0.000 0.252 330 T C 2.107 176.856 174.700 0.080 0.000 0.983 330 T CA 1.945 64.092 62.100 0.079 0.000 0.941 330 T CB 0.331 69.141 68.868 -0.097 0.000 1.141 330 T HN 2.786 nan 8.240 nan 0.000 0.500 331 A N 1.089 123.931 122.820 0.036 0.000 2.617 331 A HA -0.273 4.047 4.320 -0.000 0.000 0.236 331 A C 1.795 179.385 177.584 0.011 0.000 0.551 331 A CA 2.407 54.455 52.037 0.018 0.000 1.144 331 A CB -2.353 16.644 19.000 -0.005 0.000 1.384 331 A HN 1.510 nan 8.150 nan 0.000 0.694 332 V N -1.894 117.999 119.914 -0.034 0.000 3.650 332 V HA 0.617 4.737 4.120 -0.000 0.000 0.271 332 V C 1.373 177.380 176.094 -0.144 0.000 1.281 332 V CA 1.088 63.356 62.300 -0.052 0.000 1.120 332 V CB -0.612 31.172 31.823 -0.065 0.000 0.856 332 V HN 1.624 nan 8.190 nan 0.000 0.443 333 G N 1.387 110.058 108.800 -0.215 0.000 2.574 333 G HA2 0.284 4.244 3.960 -0.000 0.000 0.248 333 G HA3 0.284 4.244 3.960 -0.000 0.000 0.248 333 G C 0.732 175.340 174.900 -0.486 0.000 1.422 333 G CA 0.040 44.928 45.100 -0.353 0.000 1.051 333 G HN 0.479 nan 8.290 nan 0.000 0.560 334 K N -1.206 118.683 120.400 -0.852 0.000 2.366 334 K HA 0.158 4.478 4.320 -0.000 0.000 0.198 334 K C 0.199 176.592 176.600 -0.345 0.000 1.044 334 K CA 0.380 56.122 56.287 -0.909 0.000 0.973 334 K CB -0.220 31.736 32.500 -0.907 0.000 0.767 334 K HN 0.186 nan 8.250 nan 0.000 0.475 335 L N 1.753 122.832 121.223 -0.239 0.000 2.334 335 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 335 L C -0.070 176.759 176.870 -0.068 0.000 1.013 335 L CA -0.984 53.777 54.840 -0.133 0.000 0.816 335 L CB 1.815 43.812 42.059 -0.103 0.000 1.278 335 L HN 0.091 nan 8.230 nan 0.000 0.431 336 E N 0.860 121.036 120.200 -0.040 0.000 2.373 336 E HA 0.486 4.836 4.350 -0.000 0.000 0.267 336 E C -0.353 176.269 176.600 0.037 0.000 1.032 336 E CA -0.084 56.321 56.400 0.008 0.000 0.889 336 E CB 0.850 30.554 29.700 0.006 0.000 0.984 336 E HN 0.756 nan 8.360 nan 0.000 0.425 337 G N 4.099 112.937 108.800 0.063 0.000 1.974 337 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.303 337 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.303 337 G C -1.051 173.897 174.900 0.080 0.000 2.080 337 G CA -0.738 44.422 45.100 0.100 0.000 0.896 337 G HN 0.471 nan 8.290 nan 0.000 0.514 338 E N 2.214 122.470 120.200 0.094 0.000 2.392 338 E HA 0.107 4.457 4.350 -0.000 0.000 0.264 338 E C 1.470 178.073 176.600 0.005 0.000 1.024 338 E CA -0.508 55.928 56.400 0.059 0.000 0.903 338 E CB 0.994 30.742 29.700 0.080 0.000 0.963 338 E HN 0.595 nan 8.360 nan 0.000 0.432 339 R N 3.393 123.879 120.500 -0.024 0.000 2.094 339 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 339 R C 1.440 177.670 176.300 -0.117 0.000 1.137 339 R CA 1.680 57.731 56.100 -0.083 0.000 0.943 339 R CB 0.043 30.304 30.300 -0.065 0.000 0.850 339 R HN 0.499 nan 8.270 nan 0.000 0.433 340 E N 0.153 120.310 120.200 -0.071 0.000 2.077 340 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 340 E C 2.132 178.678 176.600 -0.089 0.000 0.989 340 E CA 1.130 57.485 56.400 -0.075 0.000 0.800 340 E CB -0.384 29.291 29.700 -0.041 0.000 0.746 340 E HN 0.214 nan 8.360 nan 0.000 0.452 341 V N 1.383 121.274 119.914 -0.038 0.000 2.332 341 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 341 V C 2.338 178.280 176.094 -0.253 0.000 1.055 341 V CA 2.179 64.487 62.300 0.014 0.000 1.038 341 V CB -0.787 31.165 31.823 0.216 0.000 0.651 341 V HN 0.297 nan 8.190 nan 0.000 0.450 342 T N 0.255 114.563 114.554 -0.410 0.000 2.737 342 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 342 T C 1.892 176.125 174.700 -0.778 0.000 1.038 342 T CA 1.428 62.968 62.100 -0.934 0.000 1.144 342 T CB -0.295 68.310 68.868 -0.438 0.000 0.866 342 T HN 0.296 nan 8.240 nan 0.000 0.434 343 L N 0.765 121.732 121.223 -0.428 0.000 2.079 343 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 343 L C 2.950 179.694 176.870 -0.209 0.000 1.081 343 L CA 1.344 56.006 54.840 -0.297 0.000 0.752 343 L CB -1.030 40.905 42.059 -0.208 0.000 0.896 343 L HN 0.364 nan 8.230 nan 0.000 0.433 344 G N 0.998 109.685 108.800 -0.189 0.000 2.480 344 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.216 344 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.216 344 G C 1.297 176.223 174.900 0.043 0.000 1.200 344 G CA 1.100 46.167 45.100 -0.055 0.000 0.782 344 G HN 0.486 nan 8.290 nan 0.000 0.554 345 F N 0.661 120.688 119.950 0.127 0.000 2.407 345 F HA 0.222 4.749 4.527 -0.000 0.000 0.299 345 F C 2.214 178.094 175.800 0.133 0.000 1.097 345 F CA 0.109 58.200 58.000 0.152 0.000 1.422 345 F CB -0.897 38.233 39.000 0.217 0.000 1.067 345 F HN -0.001 nan 8.300 nan 0.000 0.539 346 V N 1.371 121.352 119.914 0.113 0.000 2.343 346 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 346 V C 2.145 178.309 176.094 0.117 0.000 1.051 346 V CA 2.319 64.710 62.300 0.153 0.000 1.036 346 V CB -0.717 31.135 31.823 0.047 0.000 0.654 346 V HN 0.232 nan 8.190 nan 0.000 0.451 347 D N 0.138 120.585 120.400 0.077 0.000 2.123 347 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 347 D C 2.108 178.496 176.300 0.146 0.000 0.992 347 D CA 1.227 55.283 54.000 0.092 0.000 0.833 347 D CB -0.330 40.514 40.800 0.073 0.000 0.954 347 D HN 0.333 nan 8.370 nan 0.000 0.455 348 L N -0.194 121.152 121.223 0.204 0.000 2.127 348 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 348 L C 2.455 179.421 176.870 0.160 0.000 1.089 348 L CA 0.811 55.839 54.840 0.312 0.000 0.757 348 L CB -0.265 41.996 42.059 0.338 0.000 0.899 348 L HN 0.064 nan 8.230 nan 0.000 0.434 349 M N -1.435 118.208 119.600 0.072 0.000 2.236 349 M HA -0.101 4.379 4.480 -0.000 0.000 0.266 349 M C 2.264 178.463 176.300 -0.168 0.000 1.070 349 M CA 1.557 56.807 55.300 -0.083 0.000 1.137 349 M CB -0.068 32.554 32.600 0.037 0.000 1.378 349 M HN 0.106 nan 8.290 nan 0.000 0.426 350 R N -0.520 119.945 120.500 -0.059 0.000 2.167 350 R HA 0.098 4.438 4.340 -0.000 0.000 0.201 350 R C -0.056 176.221 176.300 -0.039 0.000 1.024 350 R CA 0.302 56.374 56.100 -0.046 0.000 1.053 350 R CB 0.272 30.585 30.300 0.022 0.000 0.987 350 R HN 0.254 nan 8.270 nan 0.000 0.493 351 D N 0.116 120.527 120.400 0.018 0.000 2.340 351 D HA 0.011 4.651 4.640 -0.000 0.000 0.251 351 D C 0.281 176.679 176.300 0.164 0.000 1.080 351 D CA -0.096 53.962 54.000 0.096 0.000 0.971 351 D CB 1.172 42.057 40.800 0.143 0.000 1.137 351 D HN -0.120 nan 8.370 nan 0.000 0.475 352 D N -1.193 119.337 120.400 0.216 0.000 2.271 352 D HA -0.072 4.568 4.640 -0.000 0.000 0.206 352 D C -0.674 175.888 176.300 0.437 0.000 0.967 352 D CA 0.570 54.754 54.000 0.307 0.000 0.867 352 D CB 0.272 41.203 40.800 0.218 0.000 0.960 352 D HN 0.308 nan 8.370 nan 0.000 0.509 353 Y N -0.230 120.193 120.300 0.204 0.000 2.362 353 Y HA 0.450 5.000 4.550 -0.000 0.000 0.326 353 Y C -1.682 174.295 175.900 0.128 0.000 1.083 353 Y CA -0.964 57.221 58.100 0.141 0.000 1.073 353 Y CB 1.651 40.161 38.460 0.085 0.000 1.211 353 Y HN -0.332 nan 8.280 nan 0.000 0.433 354 V N 5.981 125.799 119.914 -0.160 0.000 2.409 354 V HA 0.327 4.447 4.120 -0.000 0.000 0.290 354 V C -0.406 175.578 176.094 -0.183 0.000 1.017 354 V CA -0.972 61.297 62.300 -0.052 0.000 0.841 354 V CB 1.406 33.261 31.823 0.055 0.000 1.003 354 V HN 0.678 nan 8.190 nan 0.000 0.426 355 E N 2.850 123.016 120.200 -0.057 0.000 2.366 355 E HA 0.150 4.500 4.350 -0.000 0.000 0.266 355 E C 0.121 176.705 176.600 -0.027 0.000 1.051 355 E CA -0.416 55.962 56.400 -0.036 0.000 0.884 355 E CB 1.155 30.896 29.700 0.069 0.000 1.006 355 E HN 0.569 nan 8.360 nan 0.000 0.417 356 K N 2.059 122.445 120.400 -0.024 0.000 2.530 356 K HA -0.145 4.175 4.320 -0.000 0.000 0.280 356 K C -0.610 175.964 176.600 -0.043 0.000 1.004 356 K CA 0.692 56.962 56.287 -0.028 0.000 1.071 356 K CB 0.297 32.783 32.500 -0.023 0.000 0.876 356 K HN 0.286 nan 8.250 nan 0.000 0.487 357 D N 3.882 124.239 120.400 -0.071 0.000 2.351 357 D HA 0.146 4.786 4.640 -0.000 0.000 0.235 357 D C 0.251 176.471 176.300 -0.133 0.000 1.331 357 D CA -0.473 53.479 54.000 -0.079 0.000 0.959 357 D CB 0.564 41.337 40.800 -0.045 0.000 1.432 357 D HN 0.493 nan 8.370 nan 0.000 0.544 358 R N 0.737 121.127 120.500 -0.183 0.000 2.193 358 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 358 R C 1.800 177.985 176.300 -0.192 0.000 1.110 358 R CA 1.132 57.065 56.100 -0.279 0.000 0.988 358 R CB -0.527 29.594 30.300 -0.298 0.000 0.871 358 R HN 0.495 nan 8.270 nan 0.000 0.458 359 S N 0.172 115.800 115.700 -0.120 0.000 2.474 359 S HA -0.041 4.429 4.470 -0.000 0.000 0.235 359 S C 1.482 176.041 174.600 -0.068 0.000 0.997 359 S CA 0.607 58.758 58.200 -0.081 0.000 0.949 359 S CB 0.014 63.179 63.200 -0.059 0.000 0.766 359 S HN 0.268 nan 8.310 nan 0.000 0.517 360 R N 0.103 120.558 120.500 -0.075 0.000 2.577 360 R HA 0.330 4.670 4.340 -0.000 0.000 0.344 360 R C 1.100 177.373 176.300 -0.044 0.000 1.037 360 R CA 0.278 56.346 56.100 -0.054 0.000 1.102 360 R CB 0.465 30.735 30.300 -0.049 0.000 1.313 360 R HN 0.494 nan 8.270 nan 0.000 0.561 361 G N 1.764 110.509 108.800 -0.092 0.000 2.143 361 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 361 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 361 G C 0.132 175.024 174.900 -0.014 0.000 0.991 361 G CA -0.085 44.966 45.100 -0.082 0.000 0.689 361 G HN 0.285 nan 8.290 nan 0.000 0.522 362 I N 0.705 121.236 120.570 -0.065 0.000 2.291 362 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 362 I C 1.261 177.328 176.117 -0.083 0.000 1.064 362 I CA -0.875 60.432 61.300 0.011 0.000 1.269 362 I CB 0.451 38.459 38.000 0.014 0.000 1.418 362 I HN 0.066 nan 8.210 nan 0.000 0.485 363 Y N 5.202 125.389 120.300 -0.188 0.000 2.475 363 Y HA 0.175 4.725 4.550 -0.000 0.000 0.289 363 Y C 0.260 175.811 175.900 -0.582 0.000 1.121 363 Y CA 0.530 58.378 58.100 -0.420 0.000 1.257 363 Y CB 0.068 38.138 38.460 -0.649 0.000 1.026 363 Y HN 0.307 nan 8.280 nan 0.000 0.555 364 F N -1.667 118.377 119.950 0.158 0.000 2.576 364 F HA 0.374 4.901 4.527 -0.000 0.000 0.313 364 F C 0.224 176.002 175.800 -0.036 0.000 1.078 364 F CA -1.748 56.291 58.000 0.065 0.000 0.921 364 F CB 1.004 40.034 39.000 0.051 0.000 1.232 364 F HN -0.494 nan 8.300 nan 0.000 0.459 365 T N 1.848 116.471 114.554 0.115 0.000 2.888 365 T HA 0.192 4.542 4.350 -0.000 0.000 0.301 365 T C -0.377 174.210 174.700 -0.189 0.000 1.001 365 T CA 0.082 62.126 62.100 -0.094 0.000 1.147 365 T CB 0.443 69.240 68.868 -0.120 0.000 0.931 365 T HN 0.422 nan 8.240 nan 0.000 0.541 366 Q N 2.834 122.434 119.800 -0.334 0.000 2.341 366 Q HA 0.321 4.661 4.340 -0.000 0.000 0.268 366 Q C -1.375 174.284 176.000 -0.570 0.000 1.013 366 Q CA -0.657 54.881 55.803 -0.441 0.000 0.798 366 Q CB 1.162 29.658 28.738 -0.404 0.000 1.253 366 Q HN 0.494 nan 8.270 nan 0.000 0.457 367 D N 3.834 123.949 120.400 -0.475 0.000 2.349 367 D HA 0.261 4.901 4.640 -0.000 0.000 0.232 367 D C -1.076 175.094 176.300 -0.216 0.000 1.071 367 D CA -0.212 53.676 54.000 -0.187 0.000 0.832 367 D CB 0.455 41.288 40.800 0.055 0.000 1.086 367 D HN 0.472 nan 8.370 nan 0.000 0.504 371 M N 3.975 123.654 119.600 0.132 0.000 2.260 371 M HA 0.177 4.657 4.480 -0.000 0.000 0.348 371 M C -2.585 173.698 176.300 -0.029 0.000 1.342 371 M CA -0.775 54.563 55.300 0.064 0.000 1.040 371 M CB 0.236 32.906 32.600 0.117 0.000 1.810 371 M HN -0.142 nan 8.290 nan 0.000 0.453 372 P HA 0.096 nan 4.420 nan 0.000 0.268 372 P C -0.430 176.777 177.300 -0.155 0.000 1.208 372 P CA -0.055 63.004 63.100 -0.069 0.000 0.777 372 P CB 0.331 32.001 31.700 -0.050 0.000 0.875 373 G N 0.807 109.532 108.800 -0.125 0.000 2.507 373 G HA2 0.446 4.406 3.960 -0.000 0.000 0.271 373 G HA3 0.446 4.406 3.960 -0.000 0.000 0.271 373 G C -0.846 173.976 174.900 -0.130 0.000 1.189 373 G CA -0.403 44.596 45.100 -0.169 0.000 0.859 373 G HN 0.359 nan 8.290 nan 0.000 0.542 374 V N 2.168 121.992 119.914 -0.151 0.000 2.435 374 V HA 0.312 4.432 4.120 -0.000 0.000 0.290 374 V C 0.318 176.383 176.094 -0.049 0.000 1.030 374 V CA -0.733 61.504 62.300 -0.105 0.000 0.881 374 V CB 1.547 33.275 31.823 -0.159 0.000 0.983 374 V HN 0.804 nan 8.190 nan 0.000 0.445 375 M N 9.490 129.083 119.600 -0.012 0.000 2.227 375 M HA 0.328 4.808 4.480 -0.000 0.000 0.349 375 M C -2.339 173.904 176.300 -0.095 0.000 1.443 375 M CA -1.369 53.902 55.300 -0.049 0.000 1.110 375 M CB 0.700 33.245 32.600 -0.091 0.000 1.773 375 M HN 0.350 nan 8.290 nan 0.000 0.463 376 P HA 0.132 nan 4.420 nan 0.000 0.275 376 P C -1.276 175.867 177.300 -0.261 0.000 1.227 376 P CA -0.251 62.809 63.100 -0.068 0.000 0.781 376 P CB 0.685 32.445 31.700 0.100 0.000 0.906 377 V N 2.701 122.427 119.914 -0.314 0.000 2.407 377 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 377 V C 0.356 176.143 176.094 -0.512 0.000 1.018 377 V CA -0.829 61.196 62.300 -0.459 0.000 0.842 377 V CB 1.302 32.809 31.823 -0.526 0.000 0.996 377 V HN 0.688 nan 8.190 nan 0.000 0.426 378 A N 3.824 126.287 122.820 -0.594 0.000 2.260 378 A HA 0.832 5.152 4.320 -0.000 0.000 0.308 378 A C 0.029 177.359 177.584 -0.422 0.000 1.254 378 A CA -0.226 51.500 52.037 -0.518 0.000 0.874 378 A CB 1.045 19.610 19.000 -0.725 0.000 1.153 378 A HN 0.823 nan 8.150 nan 0.000 0.527 379 S N 1.440 116.964 115.700 -0.293 0.000 2.537 379 S HA 0.757 5.227 4.470 -0.000 0.000 0.270 379 S C -0.508 173.993 174.600 -0.166 0.000 1.142 379 S CA 0.379 58.439 58.200 -0.234 0.000 0.870 379 S CB 1.403 64.550 63.200 -0.089 0.000 1.112 379 S HN 2.578 nan 8.310 nan 0.000 0.466 380 G N 1.605 110.292 108.800 -0.189 0.000 2.949 380 G HA2 0.445 4.405 3.960 -0.000 0.000 0.658 380 G HA3 0.445 4.405 3.960 -0.000 0.000 0.658 380 G C 0.833 175.573 174.900 -0.267 0.000 1.194 380 G CA 0.292 45.288 45.100 -0.173 0.000 1.204 380 G HN 2.119 nan 8.290 nan 0.000 0.524 381 G N 0.340 109.005 108.800 -0.226 0.000 2.198 381 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.260 381 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.260 381 G C 0.636 175.489 174.900 -0.079 0.000 1.025 381 G CA 0.982 45.937 45.100 -0.242 0.000 0.769 381 G HN 2.289 nan 8.290 nan 0.000 0.507 382 I N -1.953 118.549 120.570 -0.113 0.000 2.577 382 I HA 0.946 5.116 4.170 -0.000 0.000 0.305 382 I C 0.259 176.572 176.117 0.327 0.000 0.986 382 I CA -1.246 60.050 61.300 -0.007 0.000 1.189 382 I CB 1.522 39.367 38.000 -0.258 0.000 1.355 382 I HN 0.345 nan 8.210 nan 0.000 0.476 383 H N 1.492 120.939 119.070 0.628 0.000 2.947 383 H HA 0.439 4.995 4.556 -0.000 0.000 0.290 383 H C 0.631 176.124 175.328 0.274 0.000 1.430 383 H CA -0.420 55.799 56.048 0.285 0.000 1.189 383 H CB 0.578 30.241 29.762 -0.164 0.000 1.875 383 H HN 0.357 nan 8.280 nan 0.000 0.568 384 V N -2.820 117.259 119.914 0.275 0.000 2.380 384 V HA -0.257 3.863 4.120 -0.000 0.000 0.251 384 V C 1.347 177.454 176.094 0.023 0.000 1.063 384 V CA 1.888 64.197 62.300 0.015 0.000 1.055 384 V CB -1.256 30.482 31.823 -0.140 0.000 0.657 384 V HN 0.780 nan 8.190 nan 0.000 0.455 385 W N -0.283 121.155 121.300 0.231 0.000 2.465 385 W HA 0.034 4.694 4.660 -0.000 0.000 0.268 385 W C 2.624 179.100 176.519 -0.071 0.000 1.242 385 W CA 1.106 58.487 57.345 0.060 0.000 1.248 385 W CB -0.436 29.087 29.460 0.105 0.000 1.118 385 W HN 0.354 nan 8.180 nan 0.000 0.587 386 H N -0.778 118.411 119.070 0.198 0.000 2.547 386 H HA -0.016 4.540 4.556 -0.000 0.000 0.272 386 H C 1.889 177.311 175.328 0.157 0.000 0.989 386 H CA 1.066 57.187 56.048 0.122 0.000 1.214 386 H CB -0.380 29.396 29.762 0.024 0.000 1.389 386 H HN 0.186 nan 8.280 nan 0.000 0.577 387 M N 1.512 121.264 119.600 0.254 0.000 2.082 387 M HA -0.077 4.403 4.480 -0.000 0.000 0.258 387 M C -0.942 175.457 176.300 0.165 0.000 1.069 387 M CA 1.632 57.055 55.300 0.206 0.000 1.102 387 M CB -0.881 31.782 32.600 0.105 0.000 1.336 387 M HN 0.054 nan 8.290 nan 0.000 0.404 388 P HA -0.086 nan 4.420 nan 0.000 0.215 388 P C 1.138 178.513 177.300 0.125 0.000 1.153 388 P CA 2.228 65.398 63.100 0.117 0.000 0.853 388 P CB -0.369 31.400 31.700 0.114 0.000 0.788 389 A N -0.753 122.156 122.820 0.149 0.000 1.902 389 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 389 A C 2.229 179.896 177.584 0.138 0.000 1.181 389 A CA 1.456 53.572 52.037 0.131 0.000 0.623 389 A CB -1.658 17.434 19.000 0.153 0.000 0.818 389 A HN 0.109 nan 8.150 nan 0.000 0.443 390 L N -0.677 120.664 121.223 0.196 0.000 2.027 390 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 390 L C 2.515 179.557 176.870 0.286 0.000 1.074 390 L CA 1.078 56.087 54.840 0.283 0.000 0.745 390 L CB -0.593 41.614 42.059 0.246 0.000 0.898 390 L HN 0.231 nan 8.230 nan 0.000 0.433 391 V N -0.321 119.708 119.914 0.191 0.000 2.407 391 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 391 V C 2.592 178.755 176.094 0.115 0.000 1.055 391 V CA 1.774 64.163 62.300 0.150 0.000 1.049 391 V CB -0.527 31.360 31.823 0.107 0.000 0.662 391 V HN 0.485 nan 8.190 nan 0.000 0.455 392 E N 0.283 120.534 120.200 0.086 0.000 2.072 392 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 392 E C 2.171 178.763 176.600 -0.013 0.000 0.985 392 E CA 1.501 57.924 56.400 0.038 0.000 0.801 392 E CB -0.100 29.620 29.700 0.033 0.000 0.750 392 E HN 0.611 nan 8.360 nan 0.000 0.452 393 I N -0.360 120.178 120.570 -0.055 0.000 2.163 393 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 393 I C 2.031 177.935 176.117 -0.355 0.000 1.081 393 I CA 1.150 62.283 61.300 -0.277 0.000 1.353 393 I CB -0.218 37.491 38.000 -0.486 0.000 1.054 393 I HN 0.030 nan 8.210 nan 0.000 0.407 394 F N 0.209 120.155 119.950 -0.007 0.000 2.505 394 F HA 0.313 4.840 4.527 -0.000 0.000 0.289 394 F C 1.673 177.474 175.800 0.002 0.000 1.101 394 F CA 0.640 58.634 58.000 -0.009 0.000 1.446 394 F CB -0.654 38.337 39.000 -0.015 0.000 1.123 394 F HN 0.158 nan 8.300 nan 0.000 0.564 395 G N 0.778 109.680 108.800 0.171 0.000 2.598 395 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 395 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 395 G C 0.263 175.235 174.900 0.120 0.000 1.302 395 G CA 0.220 45.389 45.100 0.115 0.000 0.903 395 G HN 0.172 nan 8.290 nan 0.000 0.575 396 D N 0.554 121.007 120.400 0.088 0.000 2.234 396 D HA 0.079 4.719 4.640 -0.000 0.000 0.205 396 D C 0.927 177.267 176.300 0.067 0.000 0.962 396 D CA 1.087 55.132 54.000 0.075 0.000 0.855 396 D CB -0.113 40.730 40.800 0.070 0.000 0.951 396 D HN 0.357 nan 8.370 nan 0.000 0.500 397 D N 0.866 121.311 120.400 0.074 0.000 2.688 397 D HA 0.449 5.089 4.640 -0.000 0.000 0.228 397 D C -0.344 175.977 176.300 0.036 0.000 1.116 397 D CA 0.131 54.165 54.000 0.056 0.000 1.023 397 D CB 0.052 40.889 40.800 0.062 0.000 1.100 397 D HN 0.024 nan 8.370 nan 0.000 0.487 398 A N 0.105 122.916 122.820 -0.014 0.000 2.612 398 A HA 0.520 4.840 4.320 -0.000 0.000 0.293 398 A C -1.150 176.340 177.584 -0.158 0.000 1.075 398 A CA -0.757 51.206 52.037 -0.124 0.000 0.680 398 A CB 1.465 20.356 19.000 -0.182 0.000 1.279 398 A HN 0.364 nan 8.150 nan 0.000 0.411 399 C N 1.825 120.973 119.300 -0.254 0.000 2.329 399 C HA 0.784 5.244 4.460 -0.000 0.000 0.329 399 C C -0.735 174.103 174.990 -0.253 0.000 1.275 399 C CA -0.557 58.351 59.018 -0.185 0.000 1.726 399 C CB -0.848 26.774 27.740 -0.197 0.000 2.291 399 C HN 0.653 nan 8.230 nan 0.000 0.514 400 L N 6.376 127.509 121.223 -0.150 0.000 2.305 400 L HA 0.508 4.848 4.340 -0.000 0.000 0.284 400 L C -0.169 176.560 176.870 -0.236 0.000 1.013 400 L CA -0.139 54.558 54.840 -0.239 0.000 0.819 400 L CB 1.168 43.192 42.059 -0.057 0.000 1.227 400 L HN 0.639 nan 8.230 nan 0.000 0.417 401 Q N 3.450 122.973 119.800 -0.463 0.000 2.322 401 Q HA 0.527 4.867 4.340 -0.000 0.000 0.265 401 Q C -1.488 174.178 176.000 -0.556 0.000 0.985 401 Q CA -0.433 55.179 55.803 -0.319 0.000 0.849 401 Q CB 2.410 31.042 28.738 -0.176 0.000 1.274 401 Q HN 0.424 nan 8.270 nan 0.000 0.449 402 F N 0.994 120.921 119.950 -0.038 0.000 2.532 402 F HA 0.342 4.869 4.527 -0.000 0.000 0.365 402 F C 0.898 176.681 175.800 -0.029 0.000 1.112 402 F CA -0.672 57.304 58.000 -0.040 0.000 1.082 402 F CB 1.260 40.241 39.000 -0.033 0.000 1.319 402 F HN 0.736 nan 8.300 nan 0.000 0.457 403 G N 1.598 110.446 108.800 0.079 0.000 2.658 403 G HA2 0.038 3.998 3.960 -0.000 0.000 0.217 403 G HA3 0.038 3.998 3.960 -0.000 0.000 0.217 403 G C 1.786 176.734 174.900 0.081 0.000 1.319 403 G CA 0.609 45.747 45.100 0.064 0.000 0.885 403 G HN 0.739 nan 8.290 nan 0.000 0.553 404 G N 0.692 109.529 108.800 0.062 0.000 2.469 404 G HA2 0.008 3.968 3.960 -0.000 0.000 0.220 404 G HA3 0.008 3.968 3.960 -0.000 0.000 0.220 404 G C 1.684 176.614 174.900 0.051 0.000 1.136 404 G CA 1.415 46.562 45.100 0.079 0.000 0.759 404 G HN 0.738 nan 8.290 nan 0.000 0.562 405 G N -0.875 107.902 108.800 -0.038 0.000 2.708 405 G HA2 0.146 4.106 3.960 -0.000 0.000 0.210 405 G HA3 0.146 4.106 3.960 -0.000 0.000 0.210 405 G C 1.430 176.392 174.900 0.103 0.000 1.141 405 G CA 1.589 46.575 45.100 -0.191 0.000 0.788 405 G HN 0.432 nan 8.290 nan 0.000 0.531 406 T N 0.158 114.819 114.554 0.179 0.000 3.182 406 T HA 0.094 4.444 4.350 -0.000 0.000 0.244 406 T C 1.940 176.761 174.700 0.202 0.000 0.981 406 T CA -0.129 62.076 62.100 0.174 0.000 1.182 406 T CB -0.060 68.867 68.868 0.099 0.000 1.043 406 T HN 0.048 nan 8.240 nan 0.000 0.424 407 L N 1.677 122.995 121.223 0.158 0.000 2.551 407 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 407 L C 2.225 179.215 176.870 0.199 0.000 1.153 407 L CA 0.847 55.770 54.840 0.138 0.000 0.851 407 L CB -0.294 41.813 42.059 0.080 0.000 0.959 407 L HN 0.379 nan 8.230 nan 0.000 0.451 408 G N -3.039 105.950 108.800 0.316 0.000 3.088 408 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.217 408 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.217 408 G C 0.542 175.669 174.900 0.377 0.000 1.159 408 G CA -0.293 45.051 45.100 0.407 0.000 0.760 408 G HN 0.285 nan 8.290 nan 0.000 0.550 409 H N 1.975 121.201 119.070 0.259 0.000 2.848 409 H HA 0.084 4.640 4.556 -0.000 0.000 0.341 409 H C -1.118 174.174 175.328 -0.059 0.000 1.060 409 H CA -1.081 54.971 56.048 0.005 0.000 1.444 409 H CB 2.052 31.831 29.762 0.028 0.000 1.446 409 H HN 0.010 nan 8.280 nan 0.000 0.583 410 P HA -0.127 nan 4.420 nan 0.000 0.222 410 P C 0.650 178.162 177.300 0.353 0.000 1.147 410 P CA 1.050 64.119 63.100 -0.051 0.000 0.790 410 P CB 0.095 31.664 31.700 -0.218 0.000 0.780 411 W N 0.240 121.718 121.300 0.296 0.000 3.220 411 W HA 0.505 5.165 4.660 -0.000 0.000 0.328 411 W C 1.105 177.676 176.519 0.087 0.000 1.205 411 W CA 0.418 57.868 57.345 0.174 0.000 1.773 411 W CB -0.618 28.940 29.460 0.163 0.000 1.086 411 W HN 0.050 nan 8.180 nan 0.000 0.622 412 G N 0.936 109.920 108.800 0.307 0.000 2.549 412 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.404 412 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.404 412 G C 0.634 175.569 174.900 0.058 0.000 1.292 412 G CA -0.173 45.014 45.100 0.145 0.000 0.935 412 G HN -0.037 nan 8.290 nan 0.000 0.512 413 N N -0.008 118.700 118.700 0.014 0.000 2.106 413 N HA 0.026 4.766 4.740 -0.000 0.000 0.188 413 N C 2.730 178.187 175.510 -0.089 0.000 1.029 413 N CA 2.641 55.673 53.050 -0.029 0.000 0.848 413 N CB -0.686 37.775 38.487 -0.044 0.000 1.007 413 N HN 1.084 nan 8.380 nan 0.000 0.423 414 A N 1.388 124.143 122.820 -0.107 0.000 1.858 414 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 414 A C -0.212 177.285 177.584 -0.144 0.000 1.190 414 A CA 1.332 53.288 52.037 -0.134 0.000 0.617 414 A CB -1.534 17.382 19.000 -0.140 0.000 0.827 414 A HN 0.225 nan 8.150 nan 0.000 0.443 415 P HA -0.070 nan 4.420 nan 0.000 0.217 415 P C 1.706 178.651 177.300 -0.590 0.000 1.150 415 P CA 1.628 64.562 63.100 -0.277 0.000 0.832 415 P CB -0.328 31.295 31.700 -0.128 0.000 0.787 416 G N 0.287 108.742 108.800 -0.576 0.000 2.421 416 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 416 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 416 G C 1.671 176.473 174.900 -0.164 0.000 1.171 416 G CA 0.995 45.894 45.100 -0.335 0.000 0.775 416 G HN 0.312 nan 8.290 nan 0.000 0.543 417 A N 1.244 123.981 122.820 -0.138 0.000 1.877 417 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 417 A C 2.844 180.354 177.584 -0.122 0.000 1.186 417 A CA 2.415 54.386 52.037 -0.110 0.000 0.620 417 A CB -0.905 18.037 19.000 -0.096 0.000 0.822 417 A HN 0.849 nan 8.150 nan 0.000 0.443 418 A N -0.149 122.593 122.820 -0.131 0.000 1.908 418 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 418 A C 2.515 180.039 177.584 -0.100 0.000 1.181 418 A CA 2.245 54.222 52.037 -0.101 0.000 0.627 418 A CB -1.059 17.886 19.000 -0.092 0.000 0.818 418 A HN 1.099 nan 8.150 nan 0.000 0.445 419 A N 0.325 123.062 122.820 -0.139 0.000 1.883 419 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 419 A C 1.907 179.409 177.584 -0.136 0.000 1.186 419 A CA 1.923 53.894 52.037 -0.111 0.000 0.624 419 A CB -0.922 18.041 19.000 -0.062 0.000 0.822 419 A HN 0.715 nan 8.150 nan 0.000 0.444 420 N N -1.228 117.352 118.700 -0.199 0.000 2.120 420 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 420 N C 1.970 177.359 175.510 -0.201 0.000 1.024 420 N CA 1.352 54.200 53.050 -0.335 0.000 0.852 420 N CB -0.134 38.036 38.487 -0.528 0.000 1.003 420 N HN 0.444 nan 8.380 nan 0.000 0.424 421 R N 1.139 121.565 120.500 -0.123 0.000 2.075 421 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 421 R C 1.751 178.032 176.300 -0.032 0.000 1.126 421 R CA 1.040 57.102 56.100 -0.063 0.000 0.963 421 R CB -0.728 29.544 30.300 -0.047 0.000 0.858 421 R HN 0.008 nan 8.270 nan 0.000 0.435 422 V N 0.965 120.871 119.914 -0.014 0.000 2.295 422 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 422 V C 2.377 178.471 176.094 0.000 0.000 1.049 422 V CA 1.988 64.313 62.300 0.041 0.000 1.024 422 V CB -1.029 30.864 31.823 0.116 0.000 0.648 422 V HN 0.553 nan 8.190 nan 0.000 0.447 423 A N -0.094 122.696 122.820 -0.050 0.000 1.883 423 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 423 A C 2.190 179.752 177.584 -0.037 0.000 1.186 423 A CA 2.328 54.322 52.037 -0.071 0.000 0.624 423 A CB -0.675 18.247 19.000 -0.130 0.000 0.822 423 A HN 0.471 nan 8.150 nan 0.000 0.444 424 L N 0.057 121.260 121.223 -0.033 0.000 2.017 424 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 424 L C 2.214 179.088 176.870 0.006 0.000 1.073 424 L CA 2.549 57.393 54.840 0.006 0.000 0.745 424 L CB -0.672 41.398 42.059 0.018 0.000 0.894 424 L HN 0.527 nan 8.230 nan 0.000 0.432 425 E N -0.431 119.767 120.200 -0.004 0.000 2.106 425 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 425 E C 2.145 178.731 176.600 -0.023 0.000 0.984 425 E CA 0.990 57.385 56.400 -0.009 0.000 0.806 425 E CB -0.271 29.424 29.700 -0.009 0.000 0.750 425 E HN 0.676 nan 8.360 nan 0.000 0.458 426 A N 0.950 123.752 122.820 -0.030 0.000 1.877 426 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 426 A C 2.457 180.026 177.584 -0.026 0.000 1.186 426 A CA 1.218 53.227 52.037 -0.046 0.000 0.620 426 A CB -0.852 18.122 19.000 -0.044 0.000 0.822 426 A HN 0.342 nan 8.150 nan 0.000 0.443 427 C N -1.076 118.220 119.300 -0.006 0.000 2.429 427 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 427 C C 3.055 178.054 174.990 0.016 0.000 1.262 427 C CA 1.509 60.535 59.018 0.013 0.000 1.733 427 C CB -1.483 26.277 27.740 0.034 0.000 2.010 427 C HN 0.653 nan 8.230 nan 0.000 0.483 428 T N 0.170 114.733 114.554 0.015 0.000 2.708 428 T HA -0.262 4.088 4.350 -0.000 0.000 0.266 428 T C 1.860 176.563 174.700 0.005 0.000 1.037 428 T CA 1.726 63.837 62.100 0.018 0.000 1.146 428 T CB -0.410 68.471 68.868 0.021 0.000 0.865 428 T HN 0.665 nan 8.240 nan 0.000 0.435 429 Q N 0.640 120.434 119.800 -0.011 0.000 2.061 429 Q HA -0.131 4.208 4.340 -0.000 0.000 0.204 429 Q C 2.512 178.500 176.000 -0.019 0.000 0.984 429 Q CA 1.578 57.367 55.803 -0.023 0.000 0.846 429 Q CB -0.314 28.395 28.738 -0.048 0.000 0.902 429 Q HN 0.541 nan 8.270 nan 0.000 0.421 430 A N 1.339 124.149 122.820 -0.017 0.000 1.877 430 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 430 A C 2.150 179.734 177.584 0.001 0.000 1.186 430 A CA 1.556 53.587 52.037 -0.010 0.000 0.620 430 A CB -0.742 18.255 19.000 -0.005 0.000 0.822 430 A HN 0.428 nan 8.150 nan 0.000 0.443 431 R N 0.105 120.610 120.500 0.009 0.000 2.083 431 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 431 R C 1.908 178.214 176.300 0.010 0.000 1.137 431 R CA 1.941 58.049 56.100 0.014 0.000 0.951 431 R CB -0.575 29.739 30.300 0.023 0.000 0.851 431 R HN 0.741 nan 8.270 nan 0.000 0.434 432 N N 0.100 118.804 118.700 0.007 0.000 2.205 432 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 432 N C 1.104 176.614 175.510 -0.000 0.000 1.015 432 N CA 1.178 54.231 53.050 0.005 0.000 0.862 432 N CB -0.025 38.463 38.487 0.003 0.000 0.986 432 N HN 0.428 nan 8.380 nan 0.000 0.429 433 E N -0.368 119.829 120.200 -0.004 0.000 2.511 433 E HA 0.029 4.379 4.350 -0.000 0.000 0.196 433 E C 0.929 177.527 176.600 -0.003 0.000 1.066 433 E CA 0.149 56.545 56.400 -0.007 0.000 0.871 433 E CB 0.290 29.982 29.700 -0.014 0.000 0.863 433 E HN 0.475 nan 8.360 nan 0.000 0.520 434 G N 1.664 110.465 108.800 0.001 0.000 2.163 434 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.213 434 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.213 434 G C 0.153 175.056 174.900 0.006 0.000 0.991 434 G CA -0.469 44.634 45.100 0.004 0.000 0.653 434 G HN 0.070 nan 8.290 nan 0.000 0.518 435 R N 0.545 121.048 120.500 0.006 0.000 2.539 435 R HA 0.352 4.692 4.340 -0.000 0.000 0.275 435 R C -0.753 175.556 176.300 0.014 0.000 1.077 435 R CA -0.368 55.737 56.100 0.010 0.000 1.097 435 R CB 0.675 30.980 30.300 0.009 0.000 1.018 435 R HN 0.198 nan 8.270 nan 0.000 0.483 436 D N 3.103 123.513 120.400 0.017 0.000 2.380 436 D HA 0.068 4.708 4.640 -0.000 0.000 0.230 436 D C 1.046 177.362 176.300 0.027 0.000 1.154 436 D CA -0.154 53.858 54.000 0.020 0.000 0.859 436 D CB 0.695 41.505 40.800 0.017 0.000 1.045 436 D HN 0.413 nan 8.370 nan 0.000 0.495 437 L N 3.020 124.261 121.223 0.031 0.000 2.191 437 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 437 L C 2.298 179.198 176.870 0.049 0.000 1.103 437 L CA 0.972 55.838 54.840 0.043 0.000 0.769 437 L CB -0.268 41.820 42.059 0.048 0.000 0.908 437 L HN 0.460 nan 8.230 nan 0.000 0.438 438 A N -0.024 122.819 122.820 0.038 0.000 1.969 438 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 438 A C 2.477 180.085 177.584 0.039 0.000 1.169 438 A CA 1.697 53.756 52.037 0.037 0.000 0.635 438 A CB -0.341 18.673 19.000 0.023 0.000 0.810 438 A HN 0.402 nan 8.150 nan 0.000 0.445 439 R N -0.930 119.591 120.500 0.036 0.000 2.191 439 R HA 0.108 4.448 4.340 -0.000 0.000 0.196 439 R C 1.149 177.474 176.300 0.042 0.000 0.991 439 R CA 0.753 56.874 56.100 0.034 0.000 1.075 439 R CB 0.159 30.474 30.300 0.025 0.000 1.040 439 R HN 0.512 nan 8.270 nan 0.000 0.526 440 E N -0.424 119.801 120.200 0.043 0.000 2.474 440 E HA 0.092 4.442 4.350 -0.000 0.000 0.195 440 E C 1.382 178.019 176.600 0.061 0.000 1.039 440 E CA 0.228 56.655 56.400 0.046 0.000 0.881 440 E CB 0.808 30.528 29.700 0.034 0.000 0.970 440 E HN 0.473 nan 8.360 nan 0.000 0.486 441 G N 1.723 110.567 108.800 0.073 0.000 2.476 441 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 441 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 441 G C 1.534 176.511 174.900 0.129 0.000 1.164 441 G CA 0.952 46.108 45.100 0.093 0.000 0.768 441 G HN 0.397 nan 8.290 nan 0.000 0.560 442 G N 0.787 109.682 108.800 0.159 0.000 2.440 442 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 442 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 442 G C 1.484 176.502 174.900 0.197 0.000 1.154 442 G CA 1.395 46.639 45.100 0.239 0.000 0.767 442 G HN 0.365 nan 8.290 nan 0.000 0.552 443 D N 0.227 120.699 120.400 0.120 0.000 2.117 443 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 443 D C 2.777 179.116 176.300 0.064 0.000 0.987 443 D CA 0.771 54.823 54.000 0.087 0.000 0.829 443 D CB -0.486 40.350 40.800 0.059 0.000 0.961 443 D HN 0.224 nan 8.370 nan 0.000 0.460 444 V N 1.593 121.538 119.914 0.052 0.000 2.295 444 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 444 V C 2.478 178.574 176.094 0.002 0.000 1.049 444 V CA 1.028 63.342 62.300 0.022 0.000 1.024 444 V CB -0.243 31.592 31.823 0.020 0.000 0.648 444 V HN 0.164 nan 8.190 nan 0.000 0.447 445 I N -0.119 120.447 120.570 -0.006 0.000 2.226 445 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 445 I C 2.648 178.696 176.117 -0.116 0.000 1.100 445 I CA 1.590 62.815 61.300 -0.125 0.000 1.374 445 I CB -1.245 36.589 38.000 -0.278 0.000 1.057 445 I HN 0.310 nan 8.210 nan 0.000 0.413 446 R N 0.291 120.799 120.500 0.015 0.000 2.091 446 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 446 R C 2.494 178.825 176.300 0.051 0.000 1.136 446 R CA 1.689 57.833 56.100 0.073 0.000 0.959 446 R CB -0.255 30.139 30.300 0.156 0.000 0.856 446 R HN 0.286 nan 8.270 nan 0.000 0.437 447 S N 0.548 116.275 115.700 0.044 0.000 2.368 447 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 447 S C 2.030 176.675 174.600 0.074 0.000 1.030 447 S CA 1.235 59.465 58.200 0.049 0.000 0.999 447 S CB -0.116 63.098 63.200 0.023 0.000 0.844 447 S HN 0.482 nan 8.310 nan 0.000 0.459 448 A N 0.397 123.246 122.820 0.048 0.000 1.930 448 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 448 A C 2.376 180.041 177.584 0.136 0.000 1.175 448 A CA 1.323 53.425 52.037 0.109 0.000 0.627 448 A CB -1.197 17.825 19.000 0.037 0.000 0.815 448 A HN 0.609 nan 8.150 nan 0.000 0.443 449 C N -0.611 118.704 119.300 0.025 0.000 2.432 449 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 449 C C 2.649 177.664 174.990 0.042 0.000 1.249 449 C CA 1.410 60.423 59.018 -0.008 0.000 1.725 449 C CB -1.058 26.654 27.740 -0.047 0.000 2.028 449 C HN 0.619 nan 8.230 nan 0.000 0.477 450 K N -1.164 119.285 120.400 0.082 0.000 2.280 450 K HA -0.184 4.136 4.320 -0.000 0.000 0.202 450 K C 1.704 178.386 176.600 0.136 0.000 1.047 450 K CA 1.495 57.837 56.287 0.093 0.000 0.942 450 K CB -0.118 32.439 32.500 0.096 0.000 0.739 450 K HN 0.749 nan 8.250 nan 0.000 0.457 451 W N 0.444 121.737 121.300 -0.012 0.000 2.574 451 W HA 0.136 4.796 4.660 -0.000 0.000 0.282 451 W C 0.437 176.954 176.519 -0.003 0.000 1.197 451 W CA 0.288 57.629 57.345 -0.006 0.000 1.376 451 W CB 0.323 29.776 29.460 -0.012 0.000 1.091 451 W HN -0.266 nan 8.180 nan 0.000 0.569 452 S N 1.079 116.709 115.700 -0.117 0.000 2.438 452 S HA 0.297 4.767 4.470 -0.000 0.000 0.316 452 S C -1.621 172.879 174.600 -0.166 0.000 1.084 452 S CA -1.548 56.458 58.200 -0.325 0.000 1.107 452 S CB 1.306 64.447 63.200 -0.100 0.000 0.981 452 S HN -0.134 nan 8.310 nan 0.000 0.466 453 P HA -0.026 nan 4.420 nan 0.000 0.217 453 P C 0.914 178.160 177.300 -0.089 0.000 1.150 453 P CA 0.906 64.008 63.100 0.004 0.000 0.832 453 P CB 0.205 31.999 31.700 0.157 0.000 0.787 454 E N -0.499 119.658 120.200 -0.072 0.000 2.058 454 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 454 E C 1.854 178.347 176.600 -0.179 0.000 0.997 454 E CA 0.897 57.177 56.400 -0.200 0.000 0.801 454 E CB -1.287 28.354 29.700 -0.099 0.000 0.746 454 E HN 0.096 nan 8.360 nan 0.000 0.450 455 L N 0.430 121.574 121.223 -0.132 0.000 2.056 455 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 455 L C 2.040 178.804 176.870 -0.176 0.000 1.078 455 L CA 2.023 56.788 54.840 -0.124 0.000 0.749 455 L CB -0.963 41.044 42.059 -0.087 0.000 0.901 455 L HN 0.119 nan 8.230 nan 0.000 0.433 456 A N -0.379 122.341 122.820 -0.165 0.000 1.908 456 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 456 A C 2.463 179.905 177.584 -0.236 0.000 1.181 456 A CA 2.053 53.999 52.037 -0.151 0.000 0.627 456 A CB -1.202 17.745 19.000 -0.088 0.000 0.818 456 A HN 0.581 nan 8.150 nan 0.000 0.445 457 A N -0.314 122.258 122.820 -0.413 0.000 1.902 457 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 457 A C 2.504 179.678 177.584 -0.684 0.000 1.181 457 A CA 2.103 53.753 52.037 -0.645 0.000 0.623 457 A CB -0.975 17.256 19.000 -1.282 0.000 0.818 457 A HN 1.062 nan 8.150 nan 0.000 0.443 458 A N -0.956 121.530 122.820 -0.557 0.000 1.873 458 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 458 A C 2.304 179.765 177.584 -0.206 0.000 1.186 458 A CA 1.629 53.416 52.037 -0.416 0.000 0.616 458 A CB -1.310 17.704 19.000 0.024 0.000 0.823 458 A HN 0.593 nan 8.150 nan 0.000 0.442 459 C N -0.669 118.541 119.300 -0.150 0.000 2.413 459 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 459 C C 2.707 177.856 174.990 0.265 0.000 1.265 459 C CA 1.252 60.297 59.018 0.045 0.000 1.752 459 C CB -0.999 26.655 27.740 -0.143 0.000 1.998 459 C HN 0.693 nan 8.230 nan 0.000 0.489 460 E N 0.906 121.097 120.200 -0.014 0.000 2.077 460 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 460 E C 2.173 178.676 176.600 -0.161 0.000 0.989 460 E CA 1.422 57.786 56.400 -0.060 0.000 0.800 460 E CB -0.123 29.500 29.700 -0.129 0.000 0.746 460 E HN 0.460 nan 8.360 nan 0.000 0.452 461 V N 0.017 119.699 119.914 -0.387 0.000 2.358 461 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 461 V C 1.703 177.502 176.094 -0.492 0.000 1.047 461 V CA 1.478 63.408 62.300 -0.615 0.000 1.035 461 V CB -0.418 30.701 31.823 -1.175 0.000 0.658 461 V HN 0.381 nan 8.190 nan 0.000 0.452 462 W N -0.314 120.922 121.300 -0.106 0.000 3.123 462 W HA 0.334 4.994 4.660 -0.000 0.000 0.383 462 W C 1.879 178.270 176.519 -0.212 0.000 1.102 462 W CA -0.889 56.303 57.345 -0.255 0.000 1.865 462 W CB -0.346 28.756 29.460 -0.597 0.000 1.111 462 W HN 0.268 nan 8.180 nan 0.000 0.621 463 K N 1.290 121.725 120.400 0.059 0.000 2.059 463 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 463 K C 1.178 177.570 176.600 -0.347 0.000 1.050 463 K CA 1.663 57.791 56.287 -0.265 0.000 0.927 463 K CB 0.250 32.654 32.500 -0.160 0.000 0.714 463 K HN -0.084 nan 8.250 nan 0.000 0.447 464 E N 0.360 120.454 120.200 -0.176 0.000 2.465 464 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 464 E C -0.092 176.440 176.600 -0.114 0.000 1.053 464 E CA 0.084 56.390 56.400 -0.156 0.000 0.869 464 E CB 0.390 30.020 29.700 -0.118 0.000 0.977 464 E HN 0.236 nan 8.360 nan 0.000 0.483 465 I N 2.011 122.543 120.570 -0.063 0.000 2.312 465 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 465 I C 0.349 176.462 176.117 -0.007 0.000 1.031 465 I CA -0.084 61.188 61.300 -0.046 0.000 1.293 465 I CB 0.164 38.192 38.000 0.046 0.000 1.403 465 I HN -0.268 nan 8.210 nan 0.000 0.484 466 K N 5.589 125.852 120.400 -0.228 0.000 2.482 466 K HA 0.620 4.940 4.320 -0.000 0.000 0.257 466 K C -1.454 174.898 176.600 -0.414 0.000 0.969 466 K CA -0.589 55.609 56.287 -0.147 0.000 0.842 466 K CB 2.587 35.054 32.500 -0.055 0.000 1.359 466 K HN 0.152 nan 8.250 nan 0.000 0.441 467 F N 1.517 121.562 119.950 0.159 0.000 2.532 467 F HA 0.304 4.831 4.527 -0.000 0.000 0.365 467 F C -0.451 175.419 175.800 0.116 0.000 1.112 467 F CA -0.542 57.568 58.000 0.182 0.000 1.082 467 F CB 1.497 40.640 39.000 0.237 0.000 1.319 467 F HN 0.289 nan 8.300 nan 0.000 0.457 468 E N 3.756 123.949 120.200 -0.012 0.000 2.235 468 E HA 0.530 4.880 4.350 -0.000 0.000 0.252 468 E C -1.276 175.123 176.600 -0.336 0.000 0.886 468 E CA -0.423 55.933 56.400 -0.073 0.000 0.767 468 E CB 1.685 31.328 29.700 -0.094 0.000 1.205 468 E HN 0.328 nan 8.360 nan 0.000 0.421 469 F N 0.358 120.358 119.950 0.083 0.000 2.629 469 F HA 0.221 4.748 4.527 -0.000 0.000 0.316 469 F C 0.163 175.994 175.800 0.052 0.000 1.081 469 F CA -1.189 56.850 58.000 0.065 0.000 0.954 469 F CB 1.372 40.416 39.000 0.073 0.000 1.337 469 F HN 0.229 nan 8.300 nan 0.000 0.474 470 D N 0.801 121.354 120.400 0.254 0.000 2.458 470 D HA 0.127 4.767 4.640 -0.000 0.000 0.243 470 D C -0.469 175.914 176.300 0.139 0.000 1.146 470 D CA 0.472 54.563 54.000 0.152 0.000 0.877 470 D CB 0.769 41.640 40.800 0.119 0.000 1.176 470 D HN 0.397 nan 8.370 nan 0.000 0.461 471 T N 5.705 120.323 114.554 0.106 0.000 2.794 471 T HA 0.109 4.459 4.350 -0.000 0.000 0.296 471 T C 1.430 176.176 174.700 0.076 0.000 0.949 471 T CA -0.732 61.423 62.100 0.092 0.000 1.101 471 T CB 0.748 69.668 68.868 0.085 0.000 0.905 471 T HN 0.291 nan 8.240 nan 0.000 0.516 472 I N 1.719 122.329 120.570 0.066 0.000 2.296 472 I HA 0.022 4.192 4.170 -0.000 0.000 0.242 472 I C 1.433 177.594 176.117 0.073 0.000 1.087 472 I CA 0.880 62.215 61.300 0.058 0.000 1.393 472 I CB -0.713 37.309 38.000 0.037 0.000 1.093 472 I HN 0.564 nan 8.210 nan 0.000 0.421 473 D N 2.917 123.367 120.400 0.082 0.000 2.600 473 D HA 0.066 4.706 4.640 -0.000 0.000 0.226 473 D C 0.325 176.710 176.300 0.141 0.000 1.119 473 D CA 0.180 54.251 54.000 0.118 0.000 1.051 473 D CB -0.056 40.812 40.800 0.114 0.000 1.106 473 D HN 0.116 nan 8.370 nan 0.000 0.491 474 K N 0.000 120.471 120.400 0.118 0.000 2.780 474 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 474 K CA 0.000 56.349 56.287 0.104 0.000 0.838 474 K CB 0.000 32.545 32.500 0.075 0.000 1.064 474 K HN 0.000 nan 8.250 nan 0.000 0.543