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 1xkw_1_A DATA FIRST_RESID 56 DATA SEQUENCE ESTSATQPPG VTTLGKVPLK PRELPQSASV IDHERLEQQN LFSLDEAMQQ DATA SEQUENCE ATGVTVQPFQ LLTTAYYVRG FKVDSFELDG VPALLGNTAS SPQDMAIYER DATA SEQUENCE VEILRGSNGL LHGTGNPAAT VNLVRKRPQR EFAASTTLSA GRWDRYRAEV DATA SEQUENCE DVGGPLSASG NVRGRAVAAY EDRDYFYDVA DQGTRLLYGV TEFDLSPDTL DATA SEQUENCE LTVGAQYQHI DSITNMAGVP MAKDGSNLGL SRDTYLDVDW DRFKWDTYRA DATA SEQUENCE FGSLEQQLGG GWKGKVSAEY QEADSRLRYA GSFGAIDPQT GDGGQLMGAA DATA SEQUENCE YKFKSIQRSL DANLNGPVRL FGLTHELLGG VTYAQGETRQ DTARFLNLPN DATA SEQUENCE TPVNVYRWDP HGVPRPQIGQ YTSPGTTTTT QKGLYALGRI KLAEPLTLVV DATA SEQUENCE GGRESWWDQD TPATRFKPGR QFTPYGGLIW DFARDWSWYV SYAEVYQPXX DATA SEQUENCE XXXXXXXXPL SPVEGKTYET GIKGELADGR LNLSLAAFRI DLENNPQEDP DATA SEQUENCE DHPGPPNNPF YISGGKVRSQ GFELEGTGYL TPYWSLSAGY TYTSTEYLKD DATA SEQUENCE SQNDSGTRYS TFTPRHLLRL WSNYDLPWQD RRWSVGGGLQ AQSDYSVDYR DATA SEQUENCE GVSMRQGGYA LVNMRLGYKI DEHWTAAVNV NNLFDRTYYQ SLSNPNWNNR DATA SEQUENCE YGEPRSFNVS LRGAF 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 56 E HA 0.000 nan 4.350 nan 0.000 0.291 56 E C 0.000 176.586 176.600 -0.024 0.000 1.382 56 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 56 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 57 S N -0.019 115.670 115.700 -0.019 0.000 2.537 57 S HA 0.800 5.276 4.470 0.011 0.000 0.301 57 S C -0.584 174.006 174.600 -0.016 0.000 1.092 57 S CA 0.139 58.329 58.200 -0.017 0.000 1.048 57 S CB 1.174 64.367 63.200 -0.012 0.000 1.053 57 S HN 0.542 nan 8.310 nan 0.000 0.501 58 T N -0.609 113.937 114.554 -0.013 0.000 2.838 58 T HA 0.433 4.790 4.350 0.011 0.000 0.292 58 T C 1.119 175.821 174.700 0.004 0.000 1.113 58 T CA -0.036 62.060 62.100 -0.007 0.000 1.008 58 T CB 0.901 69.764 68.868 -0.009 0.000 1.259 58 T HN 0.548 nan 8.240 nan 0.000 0.520 59 S N -0.122 115.587 115.700 0.015 0.000 2.507 59 S HA 0.073 4.550 4.470 0.011 0.000 0.235 59 S C 1.990 176.605 174.600 0.025 0.000 0.988 59 S CA 0.530 58.744 58.200 0.023 0.000 0.944 59 S CB -0.807 62.415 63.200 0.037 0.000 0.762 59 S HN 1.075 nan 8.310 nan 0.000 0.526 60 A N 1.139 123.974 122.820 0.024 0.000 2.147 60 A HA 0.293 4.620 4.320 0.011 0.000 0.211 60 A C 1.174 178.764 177.584 0.010 0.000 1.160 60 A CA 0.246 52.297 52.037 0.022 0.000 0.781 60 A CB -0.694 18.324 19.000 0.030 0.000 0.842 60 A HN 0.437 nan 8.150 nan 0.000 0.475 61 T N 2.192 116.747 114.554 0.002 0.000 2.871 61 T HA 0.304 4.660 4.350 0.011 0.000 0.296 61 T C -0.257 174.442 174.700 -0.001 0.000 0.998 61 T CA 0.548 62.647 62.100 -0.002 0.000 1.162 61 T CB 0.255 69.117 68.868 -0.009 0.000 0.947 61 T HN 0.377 nan 8.240 nan 0.000 0.536 62 Q N 2.284 122.085 119.800 0.002 0.000 2.416 62 Q HA 0.428 4.774 4.340 0.011 0.000 0.281 62 Q C -2.510 173.491 176.000 0.002 0.000 1.067 62 Q CA -1.954 53.848 55.803 -0.002 0.000 0.809 62 Q CB 1.580 30.315 28.738 -0.004 0.000 1.418 62 Q HN 0.390 nan 8.270 nan 0.000 0.411 63 P HA 0.262 nan 4.420 nan 0.000 0.272 63 P C -2.489 174.817 177.300 0.010 0.000 1.240 63 P CA -1.127 61.970 63.100 -0.004 0.000 0.791 63 P CB -0.476 31.212 31.700 -0.019 0.000 0.978 64 P HA 0.027 nan 4.420 nan 0.000 0.262 64 P C 1.004 178.310 177.300 0.011 0.000 1.182 64 P CA 1.581 64.711 63.100 0.050 0.000 0.761 64 P CB -0.064 31.697 31.700 0.102 0.000 0.795 65 G N 1.428 110.229 108.800 0.002 0.000 2.304 65 G HA2 -0.261 3.705 3.960 0.011 0.000 0.252 65 G HA3 -0.261 3.705 3.960 0.011 0.000 0.252 65 G C 0.226 175.108 174.900 -0.030 0.000 1.014 65 G CA 0.034 45.121 45.100 -0.021 0.000 0.619 65 G HN 0.557 nan 8.290 nan 0.000 0.525 66 V N 2.828 122.728 119.914 -0.025 0.000 2.572 66 V HA 0.520 4.646 4.120 0.011 0.000 0.291 66 V C 1.083 177.159 176.094 -0.030 0.000 1.039 66 V CA 0.845 63.127 62.300 -0.030 0.000 1.055 66 V CB 1.004 32.813 31.823 -0.024 0.000 0.969 66 V HN 0.913 nan 8.190 nan 0.000 0.482 67 T N 0.414 114.944 114.554 -0.039 0.000 2.926 67 T HA 0.568 4.925 4.350 0.011 0.000 0.289 67 T C 0.430 175.106 174.700 -0.039 0.000 1.054 67 T CA 0.085 62.160 62.100 -0.043 0.000 1.015 67 T CB 1.971 70.804 68.868 -0.058 0.000 1.167 67 T HN 0.710 nan 8.240 nan 0.000 0.526 68 T N -1.199 113.333 114.554 -0.037 0.000 3.058 68 T HA 0.146 4.502 4.350 0.011 0.000 0.278 68 T C 1.663 176.341 174.700 -0.036 0.000 0.974 68 T CA 0.048 62.130 62.100 -0.030 0.000 0.893 68 T CB -0.561 68.299 68.868 -0.014 0.000 1.138 68 T HN 0.562 nan 8.240 nan 0.000 0.529 69 L N 0.211 121.402 121.223 -0.052 0.000 2.353 69 L HA 0.397 4.743 4.340 0.011 0.000 0.220 69 L C 2.032 178.855 176.870 -0.078 0.000 1.133 69 L CA 1.623 56.425 54.840 -0.063 0.000 0.798 69 L CB -1.248 40.761 42.059 -0.084 0.000 0.922 69 L HN 0.250 nan 8.230 nan 0.000 0.445 70 G N -1.122 107.631 108.800 -0.077 0.000 3.181 70 G HA2 0.104 4.070 3.960 0.011 0.000 0.219 70 G HA3 0.104 4.070 3.960 0.011 0.000 0.219 70 G C 0.754 175.617 174.900 -0.061 0.000 1.182 70 G CA 0.038 45.083 45.100 -0.092 0.000 0.791 70 G HN 0.322 nan 8.290 nan 0.000 0.537 71 K N -2.425 117.955 120.400 -0.034 0.000 3.609 71 K HA -0.191 4.135 4.320 0.011 0.000 0.277 71 K C 0.418 177.020 176.600 0.003 0.000 1.196 71 K CA 1.409 57.700 56.287 0.007 0.000 1.022 71 K CB -2.649 29.885 32.500 0.056 0.000 1.292 71 K HN 1.065 nan 8.250 nan 0.000 0.484 72 V N -3.344 116.559 119.914 -0.019 0.000 3.159 72 V HA 0.734 4.861 4.120 0.011 0.000 0.308 72 V C -2.834 173.242 176.094 -0.031 0.000 1.190 72 V CA -2.538 59.746 62.300 -0.027 0.000 1.037 72 V CB 2.523 34.319 31.823 -0.045 0.000 1.060 72 V HN -0.198 nan 8.190 nan 0.000 0.437 73 P HA 0.464 nan 4.420 nan 0.000 0.271 73 P C -1.014 176.264 177.300 -0.036 0.000 1.226 73 P CA 0.277 63.359 63.100 -0.030 0.000 0.765 73 P CB 0.311 31.995 31.700 -0.026 0.000 0.835 74 L N 3.674 124.874 121.223 -0.039 0.000 2.381 74 L HA 0.411 4.757 4.340 0.011 0.000 0.274 74 L C 0.450 177.294 176.870 -0.045 0.000 0.988 74 L CA -0.910 53.904 54.840 -0.042 0.000 0.824 74 L CB 2.059 44.090 42.059 -0.047 0.000 1.263 74 L HN 0.207 nan 8.230 nan 0.000 0.410 75 K N 3.053 123.426 120.400 -0.044 0.000 2.202 75 K HA 0.195 4.521 4.320 0.011 0.000 0.264 75 K C -1.649 174.916 176.600 -0.058 0.000 1.010 75 K CA -1.499 54.757 56.287 -0.050 0.000 0.940 75 K CB 0.846 33.315 32.500 -0.052 0.000 0.983 75 K HN 0.222 nan 8.250 nan 0.000 0.475 76 P HA -0.206 nan 4.420 nan 0.000 0.216 76 P C 0.621 177.875 177.300 -0.077 0.000 1.157 76 P CA 1.558 64.614 63.100 -0.073 0.000 0.880 76 P CB 0.164 31.823 31.700 -0.068 0.000 0.791 77 R N -0.394 120.069 120.500 -0.061 0.000 2.241 77 R HA -0.101 4.246 4.340 0.011 0.000 0.224 77 R C 1.875 178.166 176.300 -0.016 0.000 1.101 77 R CA 0.969 57.051 56.100 -0.029 0.000 0.995 77 R CB -0.466 29.810 30.300 -0.040 0.000 0.870 77 R HN 0.414 nan 8.270 nan 0.000 0.463 78 E N 0.195 120.376 120.200 -0.031 0.000 2.478 78 E HA -0.030 4.326 4.350 0.011 0.000 0.194 78 E C -0.317 176.267 176.600 -0.027 0.000 1.045 78 E CA 0.076 56.468 56.400 -0.014 0.000 0.868 78 E CB 0.339 30.029 29.700 -0.017 0.000 0.885 78 E HN 0.016 nan 8.360 nan 0.000 0.505 79 L N 1.790 122.966 121.223 -0.079 0.000 2.298 79 L HA 0.280 4.627 4.340 0.011 0.000 0.284 79 L C -2.458 174.254 176.870 -0.263 0.000 1.013 79 L CA -2.339 52.435 54.840 -0.110 0.000 0.824 79 L CB 1.260 43.252 42.059 -0.112 0.000 1.221 79 L HN -0.257 nan 8.230 nan 0.000 0.418 80 P HA 0.106 nan 4.420 nan 0.000 0.243 80 P C -0.855 176.234 177.300 -0.352 0.000 1.668 80 P CA 0.167 63.047 63.100 -0.368 0.000 0.898 80 P CB 0.172 31.888 31.700 0.026 0.000 1.637 81 Q N -1.108 118.451 119.800 -0.401 0.000 2.511 81 Q HA 0.374 4.720 4.340 0.011 0.000 0.289 81 Q C -0.624 175.286 176.000 -0.150 0.000 1.021 81 Q CA -0.852 54.869 55.803 -0.137 0.000 0.785 81 Q CB 1.771 30.494 28.738 -0.025 0.000 1.472 81 Q HN -0.137 nan 8.270 nan 0.000 0.411 82 S N 0.537 116.226 115.700 -0.017 0.000 2.505 82 S HA 0.643 5.120 4.470 0.011 0.000 0.276 82 S C -0.767 173.796 174.600 -0.062 0.000 1.274 82 S CA -0.231 57.967 58.200 -0.004 0.000 1.053 82 S CB 0.528 63.739 63.200 0.018 0.000 0.919 82 S HN 0.546 nan 8.310 nan 0.000 0.490 83 A N 2.696 125.481 122.820 -0.059 0.000 2.594 83 A HA 0.786 5.112 4.320 0.011 0.000 0.296 83 A C -0.599 176.948 177.584 -0.061 0.000 1.061 83 A CA -0.796 51.195 52.037 -0.077 0.000 0.689 83 A CB 1.204 20.149 19.000 -0.092 0.000 1.280 83 A HN 1.020 nan 8.150 nan 0.000 0.406 84 S N -0.497 115.162 115.700 -0.068 0.000 2.615 84 S HA 0.815 5.291 4.470 0.011 0.000 0.269 84 S C -1.249 173.313 174.600 -0.064 0.000 1.161 84 S CA -0.676 57.491 58.200 -0.055 0.000 0.817 84 S CB 1.235 64.411 63.200 -0.041 0.000 1.131 84 S HN 1.492 nan 8.310 nan 0.000 0.467 85 V N 1.364 121.248 119.914 -0.051 0.000 2.628 85 V HA 0.528 4.654 4.120 0.011 0.000 0.306 85 V C -0.577 175.490 176.094 -0.045 0.000 1.045 85 V CA -0.805 61.465 62.300 -0.049 0.000 0.905 85 V CB 1.582 33.387 31.823 -0.030 0.000 0.997 85 V HN 0.864 nan 8.190 nan 0.000 0.436 86 I N 4.757 125.293 120.570 -0.057 0.000 2.307 86 I HA 0.267 4.443 4.170 0.011 0.000 0.287 86 I C -0.037 176.063 176.117 -0.029 0.000 1.054 86 I CA -0.511 60.755 61.300 -0.057 0.000 1.218 86 I CB 0.906 38.852 38.000 -0.090 0.000 1.398 86 I HN 0.751 nan 8.210 nan 0.000 0.475 87 D N 4.256 124.655 120.400 -0.002 0.000 2.383 87 D HA -0.029 4.617 4.640 0.011 0.000 0.248 87 D C 1.154 177.486 176.300 0.054 0.000 1.170 87 D CA -0.067 53.959 54.000 0.044 0.000 0.977 87 D CB 0.605 41.450 40.800 0.074 0.000 1.120 87 D HN 0.439 nan 8.370 nan 0.000 0.481 88 H N -0.271 118.814 119.070 0.024 0.000 2.319 88 H HA -0.161 4.401 4.556 0.010 0.000 0.299 88 H C 1.540 176.887 175.328 0.031 0.000 1.092 88 H CA 2.080 58.144 56.048 0.027 0.000 1.302 88 H CB 0.298 30.080 29.762 0.033 0.000 1.373 88 H HN 0.686 nan 8.280 nan 0.000 0.497 89 E N 0.336 120.571 120.200 0.058 0.000 2.070 89 E HA -0.240 4.116 4.350 0.011 0.000 0.197 89 E C 2.538 179.120 176.600 -0.030 0.000 1.004 89 E CA 1.355 57.779 56.400 0.039 0.000 0.805 89 E CB -0.030 29.761 29.700 0.152 0.000 0.744 89 E HN 0.331 nan 8.360 nan 0.000 0.451 90 R N 0.115 120.596 120.500 -0.031 0.000 2.115 90 R HA -0.065 4.281 4.340 0.011 0.000 0.226 90 R C 2.376 178.545 176.300 -0.218 0.000 1.100 90 R CA 0.696 56.740 56.100 -0.092 0.000 0.980 90 R CB -0.096 30.165 30.300 -0.065 0.000 0.875 90 R HN 0.199 nan 8.270 nan 0.000 0.445 91 L N 0.417 121.511 121.223 -0.216 0.000 2.079 91 L HA -0.186 4.160 4.340 0.011 0.000 0.210 91 L C 2.162 178.856 176.870 -0.293 0.000 1.081 91 L CA 1.599 56.289 54.840 -0.251 0.000 0.752 91 L CB -0.365 41.569 42.059 -0.208 0.000 0.896 91 L HN 0.333 nan 8.230 nan 0.000 0.433 92 E N -0.430 119.592 120.200 -0.295 0.000 2.051 92 E HA -0.205 4.151 4.350 0.011 0.000 0.189 92 E C 2.210 178.713 176.600 -0.161 0.000 0.979 92 E CA 0.797 57.076 56.400 -0.202 0.000 0.803 92 E CB -0.092 29.511 29.700 -0.161 0.000 0.761 92 E HN 0.536 nan 8.360 nan 0.000 0.451 93 Q N 0.654 120.379 119.800 -0.124 0.000 2.096 93 Q HA -0.180 4.166 4.340 0.011 0.000 0.204 93 Q C 1.685 177.521 176.000 -0.275 0.000 0.982 93 Q CA 1.265 57.036 55.803 -0.054 0.000 0.850 93 Q CB 0.010 28.840 28.738 0.153 0.000 0.901 93 Q HN 0.290 nan 8.270 nan 0.000 0.422 94 Q N -0.039 119.446 119.800 -0.525 0.000 2.246 94 Q HA 0.058 4.405 4.340 0.011 0.000 0.202 94 Q C -0.555 175.120 176.000 -0.541 0.000 0.883 94 Q CA -0.340 55.048 55.803 -0.692 0.000 0.952 94 Q CB 0.582 28.789 28.738 -0.885 0.000 1.078 94 Q HN 0.288 nan 8.270 nan 0.000 0.493 95 N N 0.976 119.352 118.700 -0.541 0.000 2.705 95 N HA -0.181 4.565 4.740 0.011 0.000 0.255 95 N C -1.037 173.839 175.510 -1.057 0.000 1.008 95 N CA 0.762 53.241 53.050 -0.952 0.000 0.742 95 N CB -1.269 36.691 38.487 -0.879 0.000 0.906 95 N HN 0.356 nan 8.380 nan 0.000 0.541 96 L N 0.374 121.223 121.223 -0.624 0.000 2.399 96 L HA 0.178 4.525 4.340 0.011 0.000 0.257 96 L C 1.075 177.820 176.870 -0.209 0.000 1.236 96 L CA -0.411 54.203 54.840 -0.376 0.000 1.144 96 L CB -0.477 41.424 42.059 -0.263 0.000 1.379 96 L HN -0.002 nan 8.230 nan 0.000 0.414 97 F N -0.492 119.418 119.950 -0.067 0.000 2.456 97 F HA -0.034 4.499 4.527 0.010 0.000 0.298 97 F C 1.618 177.387 175.800 -0.051 0.000 1.104 97 F CA -0.254 57.715 58.000 -0.051 0.000 1.435 97 F CB -0.276 38.695 39.000 -0.048 0.000 1.078 97 F HN 0.415 nan 8.300 nan 0.000 0.546 98 S N -0.863 114.901 115.700 0.106 0.000 2.599 98 S HA 0.442 4.918 4.470 0.011 0.000 0.294 98 S C 0.495 175.088 174.600 -0.011 0.000 1.094 98 S CA -0.764 57.455 58.200 0.031 0.000 0.931 98 S CB 1.846 65.052 63.200 0.011 0.000 1.093 98 S HN 0.010 nan 8.310 nan 0.000 0.488 99 L N 1.070 122.274 121.223 -0.031 0.000 2.083 99 L HA 0.022 4.368 4.340 0.011 0.000 0.209 99 L C 1.584 178.421 176.870 -0.055 0.000 1.083 99 L CA 2.101 56.905 54.840 -0.060 0.000 0.752 99 L CB -1.123 40.901 42.059 -0.058 0.000 0.899 99 L HN 0.804 nan 8.230 nan 0.000 0.433 100 D N -0.132 120.284 120.400 0.027 0.000 2.104 100 D HA -0.208 4.438 4.640 0.011 0.000 0.194 100 D C 2.102 178.409 176.300 0.011 0.000 0.994 100 D CA 1.606 55.662 54.000 0.093 0.000 0.830 100 D CB -0.047 40.808 40.800 0.093 0.000 0.959 100 D HN 0.517 nan 8.370 nan 0.000 0.452 101 E N 0.352 120.546 120.200 -0.010 0.000 2.077 101 E HA -0.129 4.228 4.350 0.011 0.000 0.193 101 E C 2.086 178.627 176.600 -0.097 0.000 0.989 101 E CA 1.013 57.388 56.400 -0.040 0.000 0.800 101 E CB -0.058 29.608 29.700 -0.057 0.000 0.746 101 E HN 0.213 nan 8.360 nan 0.000 0.452 102 A N 1.103 123.850 122.820 -0.122 0.000 1.902 102 A HA -0.176 4.150 4.320 0.011 0.000 0.217 102 A C 2.113 179.592 177.584 -0.175 0.000 1.181 102 A CA 1.231 53.174 52.037 -0.156 0.000 0.623 102 A CB -0.271 18.638 19.000 -0.153 0.000 0.818 102 A HN 0.122 nan 8.150 nan 0.000 0.443 103 M N -0.322 119.141 119.600 -0.229 0.000 2.296 103 M HA -0.104 4.382 4.480 0.011 0.000 0.265 103 M C 1.969 178.176 176.300 -0.155 0.000 1.064 103 M CA 0.984 56.102 55.300 -0.304 0.000 1.109 103 M CB -1.257 30.937 32.600 -0.677 0.000 1.396 103 M HN 0.442 nan 8.290 nan 0.000 0.430 104 Q N 0.181 119.936 119.800 -0.076 0.000 2.291 104 Q HA -0.109 4.237 4.340 0.011 0.000 0.206 104 Q C 1.114 177.105 176.000 -0.016 0.000 0.976 104 Q CA 0.958 56.759 55.803 -0.003 0.000 0.875 104 Q CB 0.019 28.780 28.738 0.037 0.000 0.927 104 Q HN 0.589 nan 8.270 nan 0.000 0.450 105 Q N -1.058 118.706 119.800 -0.061 0.000 2.172 105 Q HA 0.327 4.673 4.340 0.011 0.000 0.217 105 Q C -0.333 175.633 176.000 -0.057 0.000 0.832 105 Q CA -0.143 55.628 55.803 -0.054 0.000 1.010 105 Q CB 1.058 29.732 28.738 -0.106 0.000 1.133 105 Q HN 0.099 nan 8.270 nan 0.000 0.489 106 A N 0.762 123.535 122.820 -0.078 0.000 2.301 106 A HA 0.491 4.818 4.320 0.011 0.000 0.312 106 A C 0.145 177.689 177.584 -0.066 0.000 1.182 106 A CA -0.279 51.705 52.037 -0.089 0.000 0.826 106 A CB 0.563 19.476 19.000 -0.144 0.000 1.134 106 A HN 0.059 nan 8.150 nan 0.000 0.501 107 T N 1.643 116.163 114.554 -0.056 0.000 2.871 107 T HA 0.369 4.726 4.350 0.011 0.000 0.296 107 T C 1.541 176.196 174.700 -0.075 0.000 0.998 107 T CA 1.729 63.801 62.100 -0.047 0.000 1.162 107 T CB 0.235 69.081 68.868 -0.036 0.000 0.947 107 T HN 2.004 nan 8.240 nan 0.000 0.536 108 G N 2.470 111.223 108.800 -0.080 0.000 2.196 108 G HA2 -0.251 3.716 3.960 0.011 0.000 0.268 108 G HA3 -0.251 3.716 3.960 0.011 0.000 0.268 108 G C 0.237 175.089 174.900 -0.080 0.000 0.975 108 G CA 0.173 45.212 45.100 -0.102 0.000 0.648 108 G HN 0.778 nan 8.290 nan 0.000 0.538 109 V N 1.354 121.230 119.914 -0.062 0.000 2.383 109 V HA 0.566 4.693 4.120 0.011 0.000 0.275 109 V C 0.624 176.733 176.094 0.025 0.000 1.036 109 V CA 0.006 62.287 62.300 -0.032 0.000 0.889 109 V CB 1.591 33.360 31.823 -0.090 0.000 0.985 109 V HN 0.241 nan 8.190 nan 0.000 0.459 110 T N 4.941 119.551 114.554 0.094 0.000 2.795 110 T HA 0.516 4.873 4.350 0.011 0.000 0.282 110 T C -0.223 174.608 174.700 0.217 0.000 0.980 110 T CA -0.252 61.917 62.100 0.116 0.000 1.012 110 T CB 1.421 70.345 68.868 0.094 0.000 0.936 110 T HN 0.368 nan 8.240 nan 0.000 0.457 111 V N 4.991 125.015 119.914 0.183 0.000 2.435 111 V HA 0.425 4.552 4.120 0.011 0.000 0.290 111 V C -0.332 175.843 176.094 0.136 0.000 1.030 111 V CA -0.767 61.677 62.300 0.240 0.000 0.881 111 V CB 1.613 33.577 31.823 0.235 0.000 0.983 111 V HN 0.742 nan 8.190 nan 0.000 0.445 112 Q N 5.138 124.994 119.800 0.094 0.000 2.464 112 Q HA 0.386 4.732 4.340 0.011 0.000 0.256 112 Q C -2.759 173.212 176.000 -0.048 0.000 1.020 112 Q CA -1.849 53.948 55.803 -0.010 0.000 0.716 112 Q CB 2.281 30.970 28.738 -0.082 0.000 1.230 112 Q HN 0.445 nan 8.270 nan 0.000 0.494 113 P HA 0.134 nan 4.420 nan 0.000 0.272 113 P C -0.521 176.786 177.300 0.011 0.000 1.240 113 P CA -0.380 62.700 63.100 -0.033 0.000 0.791 113 P CB 0.298 32.078 31.700 0.134 0.000 0.978 114 F N -1.436 118.413 119.950 -0.168 0.000 2.866 114 F HA -0.230 4.303 4.527 0.010 0.000 0.254 114 F C 0.256 175.930 175.800 -0.210 0.000 1.009 114 F CA 0.991 58.872 58.000 -0.200 0.000 0.907 114 F CB -1.862 36.985 39.000 -0.254 0.000 0.859 114 F HN 0.315 nan 8.300 nan 0.000 0.842 115 Q N 1.355 121.080 119.800 -0.125 0.000 2.339 115 Q HA 0.600 4.946 4.340 0.011 0.000 0.268 115 Q C 0.438 176.358 176.000 -0.134 0.000 1.027 115 Q CA -1.022 54.714 55.803 -0.111 0.000 0.759 115 Q CB 1.760 30.433 28.738 -0.108 0.000 1.244 115 Q HN 0.483 nan 8.270 nan 0.000 0.464 116 L N 3.839 124.998 121.223 -0.108 0.000 3.597 116 L HA -0.310 4.036 4.340 0.011 0.000 0.440 116 L C -0.080 176.683 176.870 -0.177 0.000 1.277 116 L CA 0.089 54.854 54.840 -0.125 0.000 0.852 116 L CB -1.551 40.445 42.059 -0.104 0.000 1.708 116 L HN 0.910 nan 8.230 nan 0.000 0.885 117 L N -2.512 118.621 121.223 -0.150 0.000 3.843 117 L HA -0.276 4.070 4.340 0.011 0.000 0.411 117 L C 0.432 177.208 176.870 -0.156 0.000 1.205 117 L CA 1.379 56.170 54.840 -0.083 0.000 0.945 117 L CB -1.783 40.234 42.059 -0.069 0.000 1.929 117 L HN 0.694 nan 8.230 nan 0.000 0.934 118 T N -2.446 111.930 114.554 -0.297 0.000 2.665 118 T HA 0.495 4.852 4.350 0.011 0.000 0.303 118 T C -0.531 173.901 174.700 -0.447 0.000 1.334 118 T CA 0.213 62.073 62.100 -0.400 0.000 1.011 118 T CB 1.883 70.537 68.868 -0.357 0.000 1.573 118 T HN 0.013 nan 8.240 nan 0.000 0.492 119 T N 1.993 116.255 114.554 -0.487 0.000 2.799 119 T HA 0.717 5.073 4.350 0.011 0.000 0.286 119 T C -0.240 174.082 174.700 -0.629 0.000 0.973 119 T CA -0.392 61.424 62.100 -0.474 0.000 1.035 119 T CB 1.024 69.648 68.868 -0.406 0.000 0.932 119 T HN 0.808 nan 8.240 nan 0.000 0.469 120 A N 3.069 125.614 122.820 -0.458 0.000 2.312 120 A HA 0.758 5.084 4.320 0.011 0.000 0.326 120 A C -1.338 176.003 177.584 -0.405 0.000 1.172 120 A CA -0.617 51.141 52.037 -0.466 0.000 0.821 120 A CB 0.425 19.301 19.000 -0.207 0.000 1.166 120 A HN 0.751 nan 8.150 nan 0.000 0.493 121 Y N -0.121 120.075 120.300 -0.173 0.000 2.429 121 Y HA 0.623 5.179 4.550 0.011 0.000 0.342 121 Y C -0.880 174.835 175.900 -0.308 0.000 1.004 121 Y CA -1.047 56.992 58.100 -0.102 0.000 1.075 121 Y CB 1.386 39.810 38.460 -0.059 0.000 1.214 121 Y HN 0.580 nan 8.280 nan 0.000 0.455 122 Y N 0.408 120.792 120.300 0.140 0.000 2.442 122 Y HA 0.706 5.263 4.550 0.010 0.000 0.344 122 Y C -0.851 175.054 175.900 0.008 0.000 0.976 122 Y CA -1.219 56.929 58.100 0.079 0.000 1.040 122 Y CB 2.162 40.697 38.460 0.124 0.000 1.228 122 Y HN 0.288 nan 8.280 nan 0.000 0.451 123 V N 3.825 123.798 119.914 0.099 0.000 2.525 123 V HA 0.413 4.539 4.120 0.011 0.000 0.299 123 V C -0.190 175.882 176.094 -0.037 0.000 1.034 123 V CA -1.401 60.890 62.300 -0.015 0.000 0.863 123 V CB 1.652 33.425 31.823 -0.083 0.000 0.999 123 V HN 0.826 nan 8.190 nan 0.000 0.423 124 R N 3.356 123.783 120.500 -0.122 0.000 3.641 124 R HA -0.228 4.119 4.340 0.011 0.000 0.286 124 R C 1.183 177.336 176.300 -0.244 0.000 1.153 124 R CA 0.845 56.846 56.100 -0.164 0.000 0.775 124 R CB -1.598 28.540 30.300 -0.270 0.000 1.215 124 R HN 1.651 nan 8.270 nan 0.000 0.474 125 G N -1.883 106.742 108.800 -0.292 0.000 2.195 125 G HA2 -0.318 3.648 3.960 0.011 0.000 0.246 125 G HA3 -0.318 3.648 3.960 0.011 0.000 0.246 125 G C -0.002 174.539 174.900 -0.598 0.000 0.984 125 G CA 0.268 45.048 45.100 -0.534 0.000 0.633 125 G HN 0.256 nan 8.290 nan 0.000 0.525 126 F N 0.310 120.367 119.950 0.177 0.000 2.556 126 F HA 0.672 5.205 4.527 0.010 0.000 0.327 126 F C 0.531 176.414 175.800 0.137 0.000 1.059 126 F CA -1.272 56.846 58.000 0.197 0.000 0.953 126 F CB 1.532 40.558 39.000 0.043 0.000 1.227 126 F HN -0.048 nan 8.300 nan 0.000 0.478 127 K N 1.535 122.052 120.400 0.195 0.000 2.349 127 K HA 0.390 4.716 4.320 0.011 0.000 0.288 127 K C -0.913 175.561 176.600 -0.211 0.000 1.058 127 K CA -0.283 55.816 56.287 -0.313 0.000 0.953 127 K CB 0.659 32.982 32.500 -0.295 0.000 0.997 127 K HN 0.492 nan 8.250 nan 0.000 0.477 128 V N 5.216 124.966 119.914 -0.273 0.000 2.529 128 V HA -0.035 4.092 4.120 0.011 0.000 0.292 128 V C 0.640 176.585 176.094 -0.249 0.000 1.028 128 V CA 0.535 62.676 62.300 -0.266 0.000 1.074 128 V CB 0.807 32.480 31.823 -0.249 0.000 0.958 128 V HN 0.986 nan 8.190 nan 0.000 0.481 129 D N 1.492 121.718 120.400 -0.291 0.000 2.563 129 D HA 0.046 4.692 4.640 0.011 0.000 0.256 129 D C 0.055 176.245 176.300 -0.183 0.000 1.400 129 D CA -0.195 53.736 54.000 -0.115 0.000 0.800 129 D CB 0.448 41.219 40.800 -0.048 0.000 1.145 129 D HN 0.386 nan 8.370 nan 0.000 0.501 130 S N 0.639 116.002 115.700 -0.561 0.000 2.601 130 S HA 0.515 4.992 4.470 0.011 0.000 0.312 130 S C -0.981 173.117 174.600 -0.836 0.000 1.107 130 S CA -0.542 57.230 58.200 -0.712 0.000 1.129 130 S CB 0.077 62.693 63.200 -0.974 0.000 0.982 130 S HN 0.110 nan 8.310 nan 0.000 0.469 131 F N 1.536 121.377 119.950 -0.183 0.000 2.522 131 F HA 0.565 5.098 4.527 0.010 0.000 0.324 131 F C 0.635 176.455 175.800 0.032 0.000 1.077 131 F CA -0.797 57.143 58.000 -0.100 0.000 0.944 131 F CB 1.568 40.525 39.000 -0.071 0.000 1.175 131 F HN 0.340 nan 8.300 nan 0.000 0.468 132 E N 2.482 122.776 120.200 0.157 0.000 2.340 132 E HA 0.587 4.943 4.350 0.011 0.000 0.273 132 E C -1.547 175.071 176.600 0.029 0.000 0.891 132 E CA -0.908 55.559 56.400 0.112 0.000 0.757 132 E CB 3.082 32.834 29.700 0.086 0.000 1.231 132 E HN 0.430 nan 8.360 nan 0.000 0.439 133 L N 2.393 123.627 121.223 0.019 0.000 2.319 133 L HA 0.315 4.662 4.340 0.011 0.000 0.281 133 L C -0.649 176.201 176.870 -0.033 0.000 1.005 133 L CA -0.598 54.227 54.840 -0.025 0.000 0.828 133 L CB 1.089 43.136 42.059 -0.019 0.000 1.227 133 L HN 0.575 nan 8.230 nan 0.000 0.415 134 D N 3.431 123.806 120.400 -0.042 0.000 2.708 134 D HA -0.202 4.444 4.640 0.011 0.000 0.236 134 D C 1.204 177.507 176.300 0.006 0.000 1.146 134 D CA 1.572 55.557 54.000 -0.025 0.000 0.662 134 D CB -0.652 40.114 40.800 -0.056 0.000 1.059 134 D HN 1.104 nan 8.370 nan 0.000 0.428 135 G N -2.288 106.515 108.800 0.005 0.000 2.184 135 G HA2 -0.319 3.647 3.960 0.011 0.000 0.264 135 G HA3 -0.319 3.647 3.960 0.011 0.000 0.264 135 G C 0.378 175.300 174.900 0.037 0.000 0.975 135 G CA 0.340 45.451 45.100 0.018 0.000 0.642 135 G HN 0.617 nan 8.290 nan 0.000 0.536 136 V N 1.833 121.775 119.914 0.046 0.000 2.394 136 V HA 0.461 4.587 4.120 0.011 0.000 0.282 136 V C -1.747 174.384 176.094 0.061 0.000 1.031 136 V CA -1.807 60.527 62.300 0.056 0.000 0.881 136 V CB 1.769 33.640 31.823 0.080 0.000 0.982 136 V HN 0.049 nan 8.190 nan 0.000 0.451 137 P HA 0.134 nan 4.420 nan 0.000 0.261 137 P C -0.566 176.790 177.300 0.092 0.000 1.173 137 P CA 0.593 63.722 63.100 0.049 0.000 0.760 137 P CB 0.462 32.053 31.700 -0.181 0.000 0.783 138 A N 3.690 126.600 122.820 0.149 0.000 2.354 138 A HA 0.600 4.926 4.320 0.011 0.000 0.321 138 A C -0.996 176.643 177.584 0.091 0.000 1.125 138 A CA -0.667 51.427 52.037 0.095 0.000 0.799 138 A CB 0.873 19.915 19.000 0.070 0.000 1.293 138 A HN 0.504 nan 8.150 nan 0.000 0.452 139 L N 2.100 123.341 121.223 0.030 0.000 2.328 139 L HA 0.587 4.933 4.340 0.011 0.000 0.280 139 L C -1.112 175.715 176.870 -0.073 0.000 1.111 139 L CA 0.389 55.234 54.840 0.009 0.000 0.909 139 L CB -0.943 41.116 42.059 -0.001 0.000 1.277 139 L HN 0.552 nan 8.230 nan 0.000 0.433 140 L N 3.559 124.701 121.223 -0.136 0.000 2.393 140 L HA 0.656 5.003 4.340 0.011 0.000 0.260 140 L C 1.040 177.609 176.870 -0.502 0.000 1.002 140 L CA -0.410 54.175 54.840 -0.425 0.000 0.818 140 L CB 2.126 43.742 42.059 -0.737 0.000 1.369 140 L HN 0.559 nan 8.230 nan 0.000 0.412 141 G N 0.735 109.206 108.800 -0.548 0.000 2.205 141 G HA2 -0.265 3.701 3.960 0.011 0.000 0.261 141 G HA3 -0.265 3.701 3.960 0.011 0.000 0.261 141 G C 0.168 174.956 174.900 -0.187 0.000 0.980 141 G CA 0.309 45.189 45.100 -0.366 0.000 0.632 141 G HN 0.731 nan 8.290 nan 0.000 0.533 142 N N 0.672 119.284 118.700 -0.147 0.000 2.347 142 N HA 0.343 5.090 4.740 0.011 0.000 0.253 142 N C 0.181 175.612 175.510 -0.132 0.000 1.274 142 N CA 0.402 53.400 53.050 -0.087 0.000 0.941 142 N CB -0.244 38.220 38.487 -0.039 0.000 1.200 142 N HN 0.079 nan 8.380 nan 0.000 0.514 143 T N 0.342 114.831 114.554 -0.109 0.000 2.905 143 T HA 0.264 4.620 4.350 0.011 0.000 0.299 143 T C 1.034 175.551 174.700 -0.304 0.000 1.024 143 T CA 1.201 63.188 62.100 -0.188 0.000 1.151 143 T CB -0.313 68.475 68.868 -0.132 0.000 0.987 143 T HN 0.842 nan 8.240 nan 0.000 0.535 144 A N 3.336 125.946 122.820 -0.350 0.000 2.861 144 A HA -0.187 4.139 4.320 0.011 0.000 0.261 144 A C 1.131 178.692 177.584 -0.038 0.000 1.351 144 A CA 0.860 52.748 52.037 -0.248 0.000 0.904 144 A CB -2.176 16.349 19.000 -0.792 0.000 1.076 144 A HN 0.963 nan 8.150 nan 0.000 0.729 145 S N 0.370 115.967 115.700 -0.172 0.000 2.546 145 S HA 0.401 4.877 4.470 0.011 0.000 0.290 145 S C 0.713 175.060 174.600 -0.422 0.000 1.290 145 S CA 0.780 58.842 58.200 -0.231 0.000 1.069 145 S CB 0.392 63.407 63.200 -0.308 0.000 0.846 145 S HN 1.765 nan 8.310 nan 0.000 0.495 146 S N 5.394 120.751 115.700 -0.570 0.000 2.573 146 S HA 0.277 4.754 4.470 0.011 0.000 0.277 146 S C -2.368 171.648 174.600 -0.972 0.000 1.346 146 S CA -1.038 56.402 58.200 -1.267 0.000 1.034 146 S CB 0.024 62.685 63.200 -0.898 0.000 0.879 146 S HN 0.589 nan 8.310 nan 0.000 0.528 147 P HA 0.173 nan 4.420 nan 0.000 0.270 147 P C -1.027 175.987 177.300 -0.478 0.000 1.223 147 P CA -0.073 62.619 63.100 -0.679 0.000 0.785 147 P CB 0.336 31.648 31.700 -0.647 0.000 0.923 148 Q N 1.450 121.074 119.800 -0.295 0.000 2.325 148 Q HA 0.247 4.593 4.340 0.011 0.000 0.270 148 Q C -0.737 175.209 176.000 -0.091 0.000 1.020 148 Q CA -0.375 55.316 55.803 -0.185 0.000 0.785 148 Q CB 1.952 30.604 28.738 -0.142 0.000 1.259 148 Q HN 0.450 nan 8.270 nan 0.000 0.452 149 D N 3.112 123.464 120.400 -0.080 0.000 2.304 149 D HA 0.121 4.768 4.640 0.011 0.000 0.250 149 D C 0.523 176.848 176.300 0.041 0.000 1.107 149 D CA -0.255 53.723 54.000 -0.037 0.000 0.885 149 D CB 1.010 41.757 40.800 -0.088 0.000 1.192 149 D HN 0.324 nan 8.370 nan 0.000 0.436 150 M N 2.907 122.562 119.600 0.091 0.000 2.561 150 M HA 0.051 4.538 4.480 0.011 0.000 0.238 150 M C 1.736 178.077 176.300 0.068 0.000 1.131 150 M CA 0.058 55.463 55.300 0.176 0.000 1.046 150 M CB -0.904 31.788 32.600 0.154 0.000 1.532 150 M HN 0.460 nan 8.290 nan 0.000 0.497 151 A N 1.358 124.168 122.820 -0.017 0.000 2.024 151 A HA -0.128 4.198 4.320 0.011 0.000 0.220 151 A C 1.936 179.434 177.584 -0.143 0.000 1.164 151 A CA 1.346 53.363 52.037 -0.033 0.000 0.643 151 A CB -0.851 18.127 19.000 -0.037 0.000 0.806 151 A HN 0.662 nan 8.150 nan 0.000 0.451 152 I N -5.214 115.100 120.570 -0.427 0.000 3.883 152 I HA 0.291 4.467 4.170 0.011 0.000 0.326 152 I C -0.350 175.329 176.117 -0.730 0.000 1.283 152 I CA -0.588 60.291 61.300 -0.703 0.000 1.161 152 I CB 0.006 37.267 38.000 -1.232 0.000 1.012 152 I HN 0.081 nan 8.210 nan 0.000 0.421 153 Y N 1.416 121.644 120.300 -0.120 0.000 2.361 153 Y HA 0.376 4.933 4.550 0.010 0.000 0.332 153 Y C 1.353 177.262 175.900 0.015 0.000 1.101 153 Y CA -0.818 57.235 58.100 -0.078 0.000 1.137 153 Y CB 1.520 39.936 38.460 -0.073 0.000 1.207 153 Y HN -0.034 nan 8.280 nan 0.000 0.463 154 E N 2.307 122.603 120.200 0.160 0.000 2.086 154 E HA 0.031 4.387 4.350 0.011 0.000 0.190 154 E C -0.201 176.487 176.600 0.147 0.000 0.975 154 E CA 0.828 57.283 56.400 0.092 0.000 0.813 154 E CB 0.417 30.138 29.700 0.034 0.000 0.768 154 E HN 0.715 nan 8.360 nan 0.000 0.457 155 R N -2.410 118.157 120.500 0.112 0.000 2.728 155 R HA 0.525 4.871 4.340 0.011 0.000 0.274 155 R C -1.712 174.575 176.300 -0.021 0.000 1.030 155 R CA -0.905 55.228 56.100 0.054 0.000 0.876 155 R CB 1.040 31.359 30.300 0.033 0.000 1.259 155 R HN -0.125 nan 8.270 nan 0.000 0.468 156 V N 1.335 121.212 119.914 -0.063 0.000 2.444 156 V HA 0.357 4.483 4.120 0.011 0.000 0.294 156 V C -0.529 175.500 176.094 -0.108 0.000 1.022 156 V CA -0.673 61.551 62.300 -0.127 0.000 0.850 156 V CB 1.477 33.208 31.823 -0.153 0.000 0.992 156 V HN 0.691 nan 8.190 nan 0.000 0.426 157 E N 5.409 125.540 120.200 -0.115 0.000 2.175 157 E HA 0.654 5.010 4.350 0.011 0.000 0.278 157 E C -1.091 175.428 176.600 -0.136 0.000 0.969 157 E CA -0.528 55.809 56.400 -0.106 0.000 0.796 157 E CB 2.492 32.138 29.700 -0.091 0.000 1.104 157 E HN 0.537 nan 8.360 nan 0.000 0.395 158 I N 3.772 124.262 120.570 -0.134 0.000 2.439 158 I HA 0.256 4.432 4.170 0.011 0.000 0.285 158 I C -0.816 175.212 176.117 -0.148 0.000 1.021 158 I CA -0.709 60.494 61.300 -0.161 0.000 1.091 158 I CB 1.459 39.360 38.000 -0.165 0.000 1.242 158 I HN 0.348 nan 8.210 nan 0.000 0.439 159 L N 7.098 128.220 121.223 -0.168 0.000 2.265 159 L HA 0.517 4.863 4.340 0.011 0.000 0.289 159 L C -0.289 176.480 176.870 -0.169 0.000 1.033 159 L CA -0.469 54.281 54.840 -0.151 0.000 0.814 159 L CB 0.502 42.470 42.059 -0.152 0.000 1.203 159 L HN 0.592 nan 8.230 nan 0.000 0.423 160 R N 4.922 125.332 120.500 -0.150 0.000 2.230 160 R HA 0.666 5.012 4.340 0.011 0.000 0.337 160 R C -0.113 176.083 176.300 -0.173 0.000 1.063 160 R CA -0.127 55.869 56.100 -0.174 0.000 0.935 160 R CB 1.108 31.303 30.300 -0.175 0.000 1.121 160 R HN 0.883 nan 8.270 nan 0.000 0.486 161 G N 0.506 109.198 108.800 -0.180 0.000 2.343 161 G HA2 -0.034 3.933 3.960 0.011 0.000 0.289 161 G HA3 -0.034 3.933 3.960 0.011 0.000 0.289 161 G C -1.202 173.590 174.900 -0.180 0.000 1.295 161 G CA -0.918 44.083 45.100 -0.166 0.000 0.869 161 G HN 0.308 nan 8.290 nan 0.000 0.522 162 S N 0.007 115.596 115.700 -0.185 0.000 2.548 162 S HA 0.473 4.949 4.470 0.011 0.000 0.277 162 S C 0.420 174.921 174.600 -0.164 0.000 1.315 162 S CA -0.129 57.942 58.200 -0.216 0.000 1.050 162 S CB 1.187 64.221 63.200 -0.276 0.000 0.918 162 S HN 0.647 nan 8.310 nan 0.000 0.497 163 N N 1.200 119.796 118.700 -0.174 0.000 2.588 163 N HA 0.225 4.971 4.740 0.011 0.000 0.298 163 N C 1.040 176.471 175.510 -0.132 0.000 1.718 163 N CA -0.086 52.872 53.050 -0.155 0.000 0.888 163 N CB 0.014 38.400 38.487 -0.168 0.000 1.389 163 N HN 0.643 nan 8.380 nan 0.000 0.491 164 G N 0.078 108.796 108.800 -0.137 0.000 2.443 164 G HA2 -0.183 3.783 3.960 0.011 0.000 0.219 164 G HA3 -0.183 3.783 3.960 0.011 0.000 0.219 164 G C 1.318 176.134 174.900 -0.141 0.000 1.131 164 G CA 0.615 45.650 45.100 -0.110 0.000 0.775 164 G HN 0.377 nan 8.290 nan 0.000 0.547 165 L N 0.115 121.218 121.223 -0.200 0.000 1.988 165 L HA 0.143 4.489 4.340 0.011 0.000 0.207 165 L C 2.569 179.213 176.870 -0.378 0.000 1.071 165 L CA 1.590 56.266 54.840 -0.274 0.000 0.744 165 L CB -0.299 41.502 42.059 -0.430 0.000 0.893 165 L HN 0.185 nan 8.230 nan 0.000 0.433 166 L N -1.954 119.039 121.223 -0.383 0.000 2.307 166 L HA -0.040 4.306 4.340 0.011 0.000 0.211 166 L C 2.185 178.873 176.870 -0.303 0.000 1.099 166 L CA 0.765 55.343 54.840 -0.438 0.000 0.816 166 L CB -0.344 41.522 42.059 -0.322 0.000 0.952 166 L HN 0.405 nan 8.230 nan 0.000 0.455 167 H N -0.715 118.198 119.070 -0.261 0.000 2.481 167 H HA 0.358 4.920 4.556 0.011 0.000 0.291 167 H C 0.930 176.192 175.328 -0.110 0.000 1.009 167 H CA 0.595 56.540 56.048 -0.171 0.000 1.282 167 H CB 0.807 30.474 29.762 -0.158 0.000 1.457 167 H HN 0.190 nan 8.280 nan 0.000 0.525 168 G N -0.491 108.263 108.800 -0.075 0.000 2.384 168 G HA2 -0.169 3.797 3.960 0.011 0.000 0.204 168 G HA3 -0.169 3.797 3.960 0.011 0.000 0.204 168 G C -0.237 174.670 174.900 0.011 0.000 1.237 168 G CA -0.306 44.760 45.100 -0.057 0.000 1.060 168 G HN 0.712 nan 8.290 nan 0.000 0.514 169 T N -0.858 113.700 114.554 0.007 0.000 2.906 169 T HA 0.613 4.969 4.350 0.011 0.000 0.320 169 T C 1.007 175.711 174.700 0.007 0.000 1.088 169 T CA 1.309 63.389 62.100 -0.032 0.000 1.120 169 T CB 1.239 70.033 68.868 -0.124 0.000 1.000 169 T HN 2.645 nan 8.240 nan 0.000 0.550 170 G N 1.559 110.316 108.800 -0.071 0.000 2.343 170 G HA2 0.315 4.281 3.960 0.011 0.000 0.289 170 G HA3 0.315 4.281 3.960 0.011 0.000 0.289 170 G C -1.762 173.045 174.900 -0.155 0.000 1.295 170 G CA -1.066 43.981 45.100 -0.087 0.000 0.869 170 G HN 0.843 nan 8.290 nan 0.000 0.522 171 N N 1.069 119.666 118.700 -0.172 0.000 2.466 171 N HA 0.571 5.317 4.740 0.011 0.000 0.294 171 N C -2.427 172.928 175.510 -0.260 0.000 1.129 171 N CA -1.461 51.463 53.050 -0.210 0.000 0.931 171 N CB 2.031 40.442 38.487 -0.126 0.000 1.193 171 N HN 0.309 nan 8.380 nan 0.000 0.500 172 P HA 0.201 nan 4.420 nan 0.000 0.230 172 P C -0.613 176.564 177.300 -0.205 0.000 1.791 172 P CA 0.049 62.931 63.100 -0.363 0.000 1.020 172 P CB 0.024 31.401 31.700 -0.538 0.000 1.977 173 A N 1.890 124.624 122.820 -0.143 0.000 1.949 173 A HA 0.803 5.129 4.320 0.011 0.000 0.200 173 A C 0.460 177.948 177.584 -0.160 0.000 2.254 173 A CA 0.681 52.681 52.037 -0.061 0.000 1.206 173 A CB 0.042 19.023 19.000 -0.032 0.000 1.110 173 A HN 0.452 nan 8.150 nan 0.000 0.628 174 A N -1.759 120.924 122.820 -0.229 0.000 2.601 174 A HA 0.630 4.957 4.320 0.011 0.000 0.291 174 A C -0.999 176.356 177.584 -0.382 0.000 1.075 174 A CA -0.062 51.812 52.037 -0.271 0.000 0.671 174 A CB 0.560 19.413 19.000 -0.245 0.000 1.277 174 A HN 0.362 nan 8.150 nan 0.000 0.417 175 T N 1.077 115.409 114.554 -0.370 0.000 2.792 175 T HA 0.560 4.917 4.350 0.011 0.000 0.280 175 T C -0.903 173.574 174.700 -0.372 0.000 0.990 175 T CA -0.288 61.539 62.100 -0.455 0.000 0.960 175 T CB 1.194 69.832 68.868 -0.385 0.000 0.939 175 T HN 0.680 nan 8.240 nan 0.000 0.439 176 V N 4.458 124.117 119.914 -0.425 0.000 2.334 176 V HA 0.437 4.564 4.120 0.011 0.000 0.281 176 V C -0.065 175.932 176.094 -0.161 0.000 1.016 176 V CA -0.945 61.192 62.300 -0.272 0.000 0.832 176 V CB 1.206 32.885 31.823 -0.240 0.000 0.999 176 V HN 0.757 nan 8.190 nan 0.000 0.439 177 N N 5.257 123.870 118.700 -0.145 0.000 2.444 177 N HA 0.454 5.200 4.740 0.011 0.000 0.262 177 N C -0.933 174.484 175.510 -0.155 0.000 0.974 177 N CA -0.369 52.615 53.050 -0.110 0.000 0.933 177 N CB 1.085 39.519 38.487 -0.088 0.000 1.137 177 N HN 0.611 nan 8.380 nan 0.000 0.498 178 L N 3.441 124.535 121.223 -0.214 0.000 2.255 178 L HA 0.416 4.763 4.340 0.011 0.000 0.289 178 L C -0.360 176.397 176.870 -0.188 0.000 1.046 178 L CA -1.026 53.559 54.840 -0.425 0.000 0.816 178 L CB 1.136 42.628 42.059 -0.944 0.000 1.197 178 L HN 0.190 nan 8.230 nan 0.000 0.427 179 V N 4.559 124.439 119.914 -0.057 0.000 2.406 179 V HA 0.301 4.428 4.120 0.011 0.000 0.272 179 V C 0.602 176.805 176.094 0.181 0.000 1.043 179 V CA -0.584 61.745 62.300 0.048 0.000 0.915 179 V CB 0.983 32.818 31.823 0.019 0.000 0.988 179 V HN 0.709 nan 8.190 nan 0.000 0.466 180 R N 3.359 123.938 120.500 0.130 0.000 2.582 180 R HA 0.361 4.707 4.340 0.011 0.000 0.271 180 R C 0.004 176.332 176.300 0.046 0.000 1.078 180 R CA -0.712 55.412 56.100 0.039 0.000 1.127 180 R CB 0.988 31.234 30.300 -0.089 0.000 1.038 180 R HN 0.582 nan 8.270 nan 0.000 0.500 181 K N 2.047 122.449 120.400 0.003 0.000 2.436 181 K HA 0.057 4.384 4.320 0.011 0.000 0.275 181 K C 0.186 176.877 176.600 0.152 0.000 0.999 181 K CA 0.190 56.508 56.287 0.053 0.000 0.980 181 K CB 0.492 33.013 32.500 0.034 0.000 0.919 181 K HN 0.199 nan 8.250 nan 0.000 0.484 182 R N 2.049 122.600 120.500 0.085 0.000 2.854 182 R HA 0.415 4.761 4.340 0.011 0.000 0.271 182 R C -2.580 173.738 176.300 0.030 0.000 0.996 182 R CA -2.434 53.719 56.100 0.087 0.000 0.961 182 R CB 1.191 31.532 30.300 0.069 0.000 1.182 182 R HN 0.508 nan 8.270 nan 0.000 0.479 183 P HA 0.107 nan 4.420 nan 0.000 0.271 183 P C -0.947 176.329 177.300 -0.041 0.000 1.220 183 P CA -0.298 62.778 63.100 -0.040 0.000 0.768 183 P CB 0.730 32.385 31.700 -0.076 0.000 0.848 184 Q N 2.063 121.831 119.800 -0.053 0.000 2.312 184 Q HA 0.289 4.635 4.340 0.011 0.000 0.236 184 Q C 1.539 177.521 176.000 -0.030 0.000 0.965 184 Q CA -0.190 55.587 55.803 -0.044 0.000 0.894 184 Q CB 0.846 29.548 28.738 -0.060 0.000 1.225 184 Q HN 0.324 nan 8.270 nan 0.000 0.478 185 R N 0.340 120.830 120.500 -0.016 0.000 2.240 185 R HA 0.038 4.384 4.340 0.011 0.000 0.203 185 R C 0.073 176.383 176.300 0.016 0.000 1.011 185 R CA 0.534 56.631 56.100 -0.004 0.000 1.007 185 R CB 0.402 30.702 30.300 -0.001 0.000 0.911 185 R HN 0.612 nan 8.270 nan 0.000 0.468 186 E N 0.339 120.554 120.200 0.024 0.000 2.256 186 E HA 0.130 4.486 4.350 0.011 0.000 0.267 186 E C -1.194 175.461 176.600 0.093 0.000 0.892 186 E CA -0.868 55.571 56.400 0.065 0.000 0.775 186 E CB 1.143 30.879 29.700 0.059 0.000 1.207 186 E HN -0.128 nan 8.360 nan 0.000 0.420 187 F N 2.771 122.719 119.950 -0.004 0.000 2.629 187 F HA 0.279 4.812 4.527 0.010 0.000 0.369 187 F C -0.514 175.293 175.800 0.011 0.000 1.125 187 F CA 0.847 58.847 58.000 -0.000 0.000 1.330 187 F CB 0.524 39.524 39.000 0.000 0.000 1.071 187 F HN 0.441 nan 8.300 nan 0.000 0.595 188 A N 4.506 126.799 122.820 -0.878 0.000 2.555 188 A HA 0.814 5.141 4.320 0.011 0.000 0.297 188 A C -1.660 175.462 177.584 -0.770 0.000 1.060 188 A CA -0.107 51.583 52.037 -0.578 0.000 0.710 188 A CB 0.773 19.630 19.000 -0.238 0.000 1.282 188 A HN 1.585 nan 8.150 nan 0.000 0.399 189 A N 1.018 123.598 122.820 -0.401 0.000 2.539 189 A HA 1.011 5.337 4.320 0.011 0.000 0.296 189 A C -0.258 177.376 177.584 0.084 0.000 1.073 189 A CA 0.067 51.999 52.037 -0.175 0.000 0.700 189 A CB 1.523 20.481 19.000 -0.070 0.000 1.296 189 A HN 2.468 nan 8.150 nan 0.000 0.405 190 S N -0.370 115.382 115.700 0.087 0.000 2.570 190 S HA 0.890 5.366 4.470 0.011 0.000 0.270 190 S C -0.592 174.086 174.600 0.131 0.000 1.149 190 S CA 0.049 58.314 58.200 0.109 0.000 0.837 190 S CB 1.497 64.715 63.200 0.030 0.000 1.124 190 S HN 2.219 nan 8.310 nan 0.000 0.465 191 T N -1.303 113.337 114.554 0.144 0.000 2.883 191 T HA 0.809 5.165 4.350 0.011 0.000 0.301 191 T C -1.122 173.682 174.700 0.173 0.000 1.158 191 T CA -0.611 61.590 62.100 0.169 0.000 1.007 191 T CB 1.778 70.790 68.868 0.240 0.000 1.186 191 T HN 0.770 nan 8.240 nan 0.000 0.499 192 T N 2.409 117.064 114.554 0.167 0.000 2.928 192 T HA 0.618 4.974 4.350 0.011 0.000 0.296 192 T C -0.978 173.810 174.700 0.147 0.000 1.000 192 T CA -0.663 61.537 62.100 0.167 0.000 0.989 192 T CB 0.895 69.845 68.868 0.137 0.000 1.005 192 T HN 0.650 nan 8.240 nan 0.000 0.442 193 L N 2.354 123.682 121.223 0.175 0.000 2.385 193 L HA 0.827 5.173 4.340 0.011 0.000 0.273 193 L C -0.245 176.712 176.870 0.145 0.000 0.990 193 L CA -0.765 54.160 54.840 0.141 0.000 0.821 193 L CB 2.100 44.250 42.059 0.152 0.000 1.279 193 L HN 0.637 nan 8.230 nan 0.000 0.412 194 S N 2.191 117.962 115.700 0.117 0.000 2.546 194 S HA 0.872 5.349 4.470 0.011 0.000 0.272 194 S C -1.369 173.314 174.600 0.140 0.000 1.140 194 S CA -0.348 57.939 58.200 0.144 0.000 0.920 194 S CB 1.878 65.173 63.200 0.159 0.000 1.083 194 S HN 0.717 nan 8.310 nan 0.000 0.476 195 A N 2.996 125.904 122.820 0.147 0.000 2.359 195 A HA 0.900 5.226 4.320 0.011 0.000 0.303 195 A C 0.132 177.720 177.584 0.007 0.000 1.066 195 A CA -0.276 51.818 52.037 0.095 0.000 0.730 195 A CB 1.219 20.387 19.000 0.280 0.000 1.211 195 A HN 1.226 nan 8.150 nan 0.000 0.439 196 G N 0.513 109.187 108.800 -0.210 0.000 2.730 196 G HA2 0.584 4.550 3.960 0.011 0.000 0.289 196 G HA3 0.584 4.550 3.960 0.011 0.000 0.289 196 G C -0.362 174.191 174.900 -0.579 0.000 1.341 196 G CA -0.937 43.981 45.100 -0.304 0.000 0.932 196 G HN 0.906 nan 8.290 nan 0.000 0.481 197 R N -0.581 119.236 120.500 -1.138 0.000 2.698 197 R HA 0.047 4.393 4.340 0.011 0.000 0.266 197 R C -0.120 175.719 176.300 -0.769 0.000 1.026 197 R CA 0.272 55.514 56.100 -1.430 0.000 1.102 197 R CB 0.065 29.028 30.300 -2.228 0.000 0.978 197 R HN 0.667 nan 8.270 nan 0.000 0.436 198 W N 3.183 124.329 121.300 -0.256 0.000 4.301 198 W HA -0.210 4.456 4.660 0.011 0.000 0.360 198 W C -0.647 175.735 176.519 -0.228 0.000 1.371 198 W CA 0.747 57.983 57.345 -0.181 0.000 0.781 198 W CB -2.445 26.909 29.460 -0.177 0.000 2.488 198 W HN 0.887 nan 8.180 nan 0.000 1.350 199 D N -0.443 119.870 120.400 -0.145 0.000 2.737 199 D HA -0.219 4.427 4.640 0.011 0.000 0.238 199 D C 0.585 176.554 176.300 -0.550 0.000 1.157 199 D CA 1.437 55.263 54.000 -0.291 0.000 0.694 199 D CB -0.611 40.261 40.800 0.119 0.000 1.021 199 D HN 0.456 nan 8.370 nan 0.000 0.420 200 R N 1.444 121.520 120.500 -0.707 0.000 2.215 200 R HA 0.344 4.690 4.340 0.011 0.000 0.336 200 R C -1.080 174.827 176.300 -0.655 0.000 0.996 200 R CA -0.424 55.380 56.100 -0.492 0.000 0.847 200 R CB 0.508 30.642 30.300 -0.277 0.000 1.127 200 R HN -0.060 nan 8.270 nan 0.000 0.465 201 Y N 3.292 123.592 120.300 -0.001 0.000 2.350 201 Y HA 0.438 4.994 4.550 0.010 0.000 0.338 201 Y C 0.049 175.956 175.900 0.011 0.000 0.961 201 Y CA -0.848 57.266 58.100 0.023 0.000 1.100 201 Y CB 1.708 40.203 38.460 0.057 0.000 1.179 201 Y HN 0.443 nan 8.280 nan 0.000 0.454 202 R N 2.070 122.622 120.500 0.087 0.000 2.686 202 R HA 0.941 5.287 4.340 0.011 0.000 0.283 202 R C -1.775 174.525 176.300 0.001 0.000 0.978 202 R CA -0.777 55.302 56.100 -0.035 0.000 0.897 202 R CB 1.528 31.607 30.300 -0.369 0.000 1.192 202 R HN 0.796 nan 8.270 nan 0.000 0.457 203 A N 3.339 126.185 122.820 0.045 0.000 2.393 203 A HA 0.593 4.920 4.320 0.011 0.000 0.306 203 A C -1.407 176.202 177.584 0.043 0.000 1.050 203 A CA -0.694 51.376 52.037 0.056 0.000 0.724 203 A CB 1.695 20.739 19.000 0.074 0.000 1.248 203 A HN 0.812 nan 8.150 nan 0.000 0.424 204 E N 0.459 120.687 120.200 0.046 0.000 2.314 204 E HA 0.615 4.971 4.350 0.011 0.000 0.272 204 E C -1.574 175.072 176.600 0.078 0.000 0.884 204 E CA -0.833 55.598 56.400 0.050 0.000 0.753 204 E CB 2.719 32.439 29.700 0.034 0.000 1.213 204 E HN 0.364 nan 8.360 nan 0.000 0.432 205 V N 1.587 121.545 119.914 0.073 0.000 2.760 205 V HA 0.414 4.541 4.120 0.011 0.000 0.309 205 V C -1.225 174.905 176.094 0.060 0.000 1.077 205 V CA -0.742 61.602 62.300 0.072 0.000 0.910 205 V CB 2.220 34.082 31.823 0.064 0.000 1.008 205 V HN 0.687 nan 8.190 nan 0.000 0.424 206 D N 2.896 123.324 120.400 0.046 0.000 2.788 206 D HA 0.621 5.268 4.640 0.011 0.000 0.247 206 D C -1.550 174.731 176.300 -0.033 0.000 1.236 206 D CA -0.095 53.919 54.000 0.022 0.000 0.898 206 D CB 2.192 43.008 40.800 0.025 0.000 1.401 206 D HN 0.270 nan 8.370 nan 0.000 0.549 207 V N 2.348 122.229 119.914 -0.055 0.000 2.686 207 V HA 0.968 5.094 4.120 0.011 0.000 0.306 207 V C 0.534 176.533 176.094 -0.157 0.000 1.065 207 V CA -0.538 61.677 62.300 -0.143 0.000 0.894 207 V CB 1.812 33.605 31.823 -0.050 0.000 1.004 207 V HN 0.679 nan 8.190 nan 0.000 0.424 208 G N 1.427 110.054 108.800 -0.288 0.000 2.660 208 G HA2 0.899 4.866 3.960 0.011 0.000 0.290 208 G HA3 0.899 4.866 3.960 0.011 0.000 0.290 208 G C -0.566 174.216 174.900 -0.197 0.000 1.432 208 G CA -0.025 44.963 45.100 -0.187 0.000 0.807 208 G HN 1.377 nan 8.290 nan 0.000 0.485 209 G N -0.493 108.265 108.800 -0.070 0.000 2.324 209 G HA2 0.621 4.587 3.960 0.011 0.000 0.293 209 G HA3 0.621 4.587 3.960 0.011 0.000 0.293 209 G C -3.410 171.495 174.900 0.009 0.000 1.297 209 G CA -0.323 44.784 45.100 0.012 0.000 0.853 209 G HN 0.664 nan 8.290 nan 0.000 0.535 210 P HA 0.372 nan 4.420 nan 0.000 0.274 210 P C 0.254 177.553 177.300 -0.001 0.000 1.231 210 P CA -0.249 62.849 63.100 -0.003 0.000 0.790 210 P CB 1.475 33.181 31.700 0.010 0.000 0.951 211 L N 0.617 121.823 121.223 -0.029 0.000 2.906 211 L HA 0.163 4.509 4.340 0.011 0.000 0.255 211 L C 0.914 177.779 176.870 -0.008 0.000 1.166 211 L CA 0.143 54.970 54.840 -0.021 0.000 0.977 211 L CB 0.256 42.285 42.059 -0.050 0.000 1.313 211 L HN 0.467 nan 8.230 nan 0.000 0.549 212 S N -2.199 113.497 115.700 -0.005 0.000 2.595 212 S HA 0.646 5.123 4.470 0.011 0.000 0.281 212 S C 0.696 175.300 174.600 0.007 0.000 1.117 212 S CA -0.167 58.037 58.200 0.006 0.000 0.873 212 S CB 2.163 65.370 63.200 0.013 0.000 1.108 212 S HN -0.019 nan 8.310 nan 0.000 0.477 213 A N 1.913 124.739 122.820 0.009 0.000 1.908 213 A HA -0.053 4.274 4.320 0.011 0.000 0.218 213 A C 2.304 179.893 177.584 0.009 0.000 1.181 213 A CA 2.297 54.339 52.037 0.008 0.000 0.627 213 A CB -1.571 17.433 19.000 0.007 0.000 0.818 213 A HN 1.541 nan 8.150 nan 0.000 0.445 214 S N -1.978 113.728 115.700 0.011 0.000 2.428 214 S HA 0.305 4.782 4.470 0.011 0.000 0.230 214 S C 1.560 176.165 174.600 0.010 0.000 1.014 214 S CA 1.309 59.516 58.200 0.012 0.000 0.957 214 S CB -0.432 62.778 63.200 0.015 0.000 0.784 214 S HN 2.021 nan 8.310 nan 0.000 0.499 215 G N 2.533 111.336 108.800 0.006 0.000 2.141 215 G HA2 -0.292 3.675 3.960 0.011 0.000 0.231 215 G HA3 -0.292 3.675 3.960 0.011 0.000 0.231 215 G C 0.507 175.401 174.900 -0.009 0.000 0.984 215 G CA 0.272 45.371 45.100 -0.002 0.000 0.660 215 G HN 0.734 nan 8.290 nan 0.000 0.525 216 N N -0.076 118.626 118.700 0.004 0.000 2.521 216 N HA 0.164 4.911 4.740 0.011 0.000 0.188 216 N C 0.341 175.849 175.510 -0.004 0.000 1.146 216 N CA 1.048 54.108 53.050 0.015 0.000 0.893 216 N CB 0.267 38.778 38.487 0.040 0.000 0.975 216 N HN 0.558 nan 8.380 nan 0.000 0.451 217 V N 0.594 120.476 119.914 -0.052 0.000 2.577 217 V HA 0.480 4.606 4.120 0.011 0.000 0.303 217 V C -0.377 175.609 176.094 -0.181 0.000 1.042 217 V CA -0.864 61.333 62.300 -0.173 0.000 0.872 217 V CB 1.779 33.536 31.823 -0.110 0.000 0.998 217 V HN 0.101 nan 8.190 nan 0.000 0.423 218 R N 2.191 122.533 120.500 -0.264 0.000 2.744 218 R HA 0.864 5.210 4.340 0.011 0.000 0.279 218 R C -0.248 175.922 176.300 -0.218 0.000 0.977 218 R CA -0.735 55.259 56.100 -0.176 0.000 0.906 218 R CB 2.634 32.862 30.300 -0.120 0.000 1.197 218 R HN 0.902 nan 8.270 nan 0.000 0.463 219 G N 0.652 109.365 108.800 -0.145 0.000 2.672 219 G HA2 0.688 4.655 3.960 0.011 0.000 0.292 219 G HA3 0.688 4.655 3.960 0.011 0.000 0.292 219 G C -1.609 173.228 174.900 -0.105 0.000 1.375 219 G CA -0.611 44.402 45.100 -0.144 0.000 0.890 219 G HN 0.444 nan 8.290 nan 0.000 0.476 220 R N -0.412 120.019 120.500 -0.114 0.000 2.604 220 R HA 0.673 5.020 4.340 0.011 0.000 0.270 220 R C -1.482 174.752 176.300 -0.110 0.000 1.052 220 R CA -0.527 55.520 56.100 -0.088 0.000 0.902 220 R CB 1.958 32.228 30.300 -0.050 0.000 1.233 220 R HN 1.062 nan 8.270 nan 0.000 0.455 221 A N 2.723 125.512 122.820 -0.052 0.000 2.475 221 A HA 0.754 5.081 4.320 0.011 0.000 0.301 221 A C -1.526 176.099 177.584 0.067 0.000 1.059 221 A CA -0.596 51.426 52.037 -0.026 0.000 0.710 221 A CB 2.225 21.211 19.000 -0.022 0.000 1.288 221 A HN 0.351 nan 8.150 nan 0.000 0.408 222 V N 0.467 120.473 119.914 0.153 0.000 2.709 222 V HA 0.820 4.946 4.120 0.011 0.000 0.308 222 V C 0.016 176.188 176.094 0.130 0.000 1.062 222 V CA -0.095 62.294 62.300 0.149 0.000 0.901 222 V CB 1.797 33.734 31.823 0.189 0.000 1.003 222 V HN 1.576 nan 8.190 nan 0.000 0.425 223 A N 3.213 126.089 122.820 0.093 0.000 2.414 223 A HA 1.026 5.352 4.320 0.011 0.000 0.306 223 A C -0.555 177.075 177.584 0.077 0.000 1.054 223 A CA -0.202 51.891 52.037 0.093 0.000 0.724 223 A CB 1.898 20.954 19.000 0.094 0.000 1.267 223 A HN 1.618 nan 8.150 nan 0.000 0.418 224 A N 0.905 123.767 122.820 0.070 0.000 2.449 224 A HA 0.749 5.076 4.320 0.011 0.000 0.302 224 A C -1.701 175.938 177.584 0.092 0.000 1.048 224 A CA -0.394 51.673 52.037 0.051 0.000 0.708 224 A CB 1.188 20.177 19.000 -0.018 0.000 1.274 224 A HN 1.645 nan 8.150 nan 0.000 0.410 225 Y N 0.687 120.967 120.300 -0.033 0.000 2.421 225 Y HA 0.666 5.223 4.550 0.010 0.000 0.339 225 Y C -0.605 175.270 175.900 -0.041 0.000 0.996 225 Y CA -0.452 57.639 58.100 -0.016 0.000 1.046 225 Y CB 1.743 40.210 38.460 0.011 0.000 1.226 225 Y HN 0.817 nan 8.280 nan 0.000 0.445 226 E N 4.527 124.505 120.200 -0.371 0.000 2.321 226 E HA 0.316 4.672 4.350 0.011 0.000 0.278 226 E C -2.125 174.319 176.600 -0.260 0.000 0.902 226 E CA -0.711 55.579 56.400 -0.183 0.000 0.758 226 E CB 1.472 31.066 29.700 -0.177 0.000 1.213 226 E HN 0.654 nan 8.360 nan 0.000 0.426 227 D N 3.148 123.536 120.400 -0.021 0.000 2.649 227 D HA 0.419 5.065 4.640 0.011 0.000 0.249 227 D C -0.724 175.590 176.300 0.024 0.000 1.112 227 D CA -0.397 53.619 54.000 0.026 0.000 0.850 227 D CB 1.584 42.497 40.800 0.189 0.000 1.399 227 D HN 0.516 nan 8.370 nan 0.000 0.503 228 R N 0.408 120.877 120.500 -0.052 0.000 2.739 228 R HA 0.634 4.980 4.340 0.011 0.000 0.271 228 R C -1.373 174.816 176.300 -0.183 0.000 1.010 228 R CA -0.740 55.263 56.100 -0.162 0.000 0.897 228 R CB 1.776 31.890 30.300 -0.310 0.000 1.236 228 R HN 0.026 nan 8.270 nan 0.000 0.466 229 D N -0.139 120.142 120.400 -0.198 0.000 2.616 229 D HA 0.478 5.125 4.640 0.011 0.000 0.260 229 D C -0.804 175.249 176.300 -0.411 0.000 1.158 229 D CA -0.207 53.711 54.000 -0.137 0.000 1.085 229 D CB 0.699 41.504 40.800 0.008 0.000 1.222 229 D HN 0.370 nan 8.370 nan 0.000 0.626 230 Y N -1.062 119.042 120.300 -0.325 0.000 2.665 230 Y HA 0.170 4.727 4.550 0.011 0.000 0.336 230 Y C 1.111 176.403 175.900 -1.013 0.000 1.085 230 Y CA -1.080 56.592 58.100 -0.714 0.000 1.096 230 Y CB 0.636 38.259 38.460 -1.394 0.000 1.301 230 Y HN 0.300 nan 8.280 nan 0.000 0.493 231 F N -0.878 118.234 119.950 -1.397 0.000 2.293 231 F HA 0.016 4.549 4.527 0.011 0.000 0.300 231 F C 0.059 175.481 175.800 -0.630 0.000 1.086 231 F CA -0.134 56.847 58.000 -1.697 0.000 1.375 231 F CB -1.221 36.753 39.000 -1.710 0.000 1.045 231 F HN 0.231 nan 8.300 nan 0.000 0.516 232 Y N 0.334 120.189 120.300 -0.741 0.000 2.320 232 Y HA 0.477 5.034 4.550 0.011 0.000 0.324 232 Y C 0.278 176.053 175.900 -0.209 0.000 1.190 232 Y CA -2.448 55.428 58.100 -0.373 0.000 1.215 232 Y CB -0.104 38.103 38.460 -0.422 0.000 1.221 232 Y HN -0.162 nan 8.280 nan 0.000 0.486 233 D N 0.784 121.222 120.400 0.064 0.000 2.362 233 D HA 0.063 4.709 4.640 0.011 0.000 0.238 233 D C 1.205 177.311 176.300 -0.323 0.000 1.212 233 D CA 0.559 54.533 54.000 -0.043 0.000 0.902 233 D CB 1.047 41.868 40.800 0.035 0.000 1.180 233 D HN 0.692 nan 8.370 nan 0.000 0.445 234 V N -1.060 118.671 119.914 -0.305 0.000 0.439 234 V HA -0.374 3.753 4.120 0.011 0.000 0.091 234 V C 1.026 176.897 176.094 -0.371 0.000 2.586 234 V CA 2.091 64.121 62.300 -0.451 0.000 3.733 234 V CB -1.942 29.317 31.823 -0.940 0.000 1.009 234 V HN 0.851 nan 8.190 nan 0.000 1.056 235 A N 1.583 124.156 122.820 -0.411 0.000 2.466 235 A HA 0.499 4.825 4.320 0.011 0.000 0.238 235 A C 0.214 177.895 177.584 0.162 0.000 1.074 235 A CA 1.116 53.128 52.037 -0.041 0.000 0.774 235 A CB 0.053 19.135 19.000 0.136 0.000 1.015 235 A HN 1.263 nan 8.150 nan 0.000 0.498 236 D N -0.726 119.831 120.400 0.262 0.000 2.692 236 D HA 0.548 5.195 4.640 0.011 0.000 0.303 236 D C -0.894 175.613 176.300 0.346 0.000 1.278 236 D CA -0.506 53.674 54.000 0.300 0.000 0.852 236 D CB 0.806 41.691 40.800 0.143 0.000 1.375 236 D HN 0.582 nan 8.370 nan 0.000 0.453 237 Q N -0.351 119.576 119.800 0.211 0.000 2.378 237 Q HA 0.574 4.920 4.340 0.011 0.000 0.262 237 Q C -1.692 174.331 176.000 0.038 0.000 0.978 237 Q CA -0.778 55.126 55.803 0.167 0.000 0.918 237 Q CB 2.026 30.902 28.738 0.230 0.000 1.415 237 Q HN 0.803 nan 8.270 nan 0.000 0.409 238 G N 1.561 110.369 108.800 0.013 0.000 2.461 238 G HA2 0.645 4.611 3.960 0.011 0.000 0.323 238 G HA3 0.645 4.611 3.960 0.011 0.000 0.323 238 G C -0.945 173.875 174.900 -0.132 0.000 1.229 238 G CA -0.219 44.831 45.100 -0.084 0.000 0.941 238 G HN 0.402 nan 8.290 nan 0.000 0.477 239 T N 2.495 116.909 114.554 -0.233 0.000 2.829 239 T HA 0.652 5.008 4.350 0.011 0.000 0.280 239 T C -0.409 174.141 174.700 -0.250 0.000 0.999 239 T CA -0.714 61.259 62.100 -0.212 0.000 0.983 239 T CB 1.428 70.181 68.868 -0.192 0.000 0.968 239 T HN 0.434 nan 8.240 nan 0.000 0.446 240 R N 2.587 123.003 120.500 -0.140 0.000 2.538 240 R HA 0.635 4.981 4.340 0.011 0.000 0.292 240 R C -1.427 174.817 176.300 -0.094 0.000 1.008 240 R CA -0.694 55.367 56.100 -0.065 0.000 0.896 240 R CB 2.171 32.504 30.300 0.056 0.000 1.187 240 R HN 0.635 nan 8.270 nan 0.000 0.440 241 L N 2.674 123.880 121.223 -0.030 0.000 2.445 241 L HA 0.631 4.977 4.340 0.011 0.000 0.262 241 L C -1.832 175.082 176.870 0.074 0.000 0.974 241 L CA -1.074 53.743 54.840 -0.038 0.000 0.822 241 L CB 2.332 44.350 42.059 -0.068 0.000 1.339 241 L HN 0.519 nan 8.230 nan 0.000 0.409 242 L N 4.128 125.431 121.223 0.132 0.000 2.431 242 L HA 0.614 4.960 4.340 0.011 0.000 0.266 242 L C -1.837 175.184 176.870 0.251 0.000 0.978 242 L CA -0.256 54.698 54.840 0.189 0.000 0.822 242 L CB 1.987 44.176 42.059 0.216 0.000 1.310 242 L HN 0.594 nan 8.230 nan 0.000 0.409 243 Y N 3.056 123.396 120.300 0.067 0.000 2.470 243 Y HA 0.795 5.352 4.550 0.010 0.000 0.341 243 Y C -0.589 175.350 175.900 0.065 0.000 1.021 243 Y CA -0.658 57.485 58.100 0.072 0.000 1.025 243 Y CB 2.278 40.754 38.460 0.026 0.000 1.266 243 Y HN 0.639 nan 8.280 nan 0.000 0.448 244 G N 3.463 111.941 108.800 -0.537 0.000 2.638 244 G HA2 0.603 4.569 3.960 0.011 0.000 0.302 244 G HA3 0.603 4.569 3.960 0.011 0.000 0.302 244 G C -2.366 172.140 174.900 -0.656 0.000 1.365 244 G CA -0.862 43.930 45.100 -0.514 0.000 0.987 244 G HN 1.004 nan 8.290 nan 0.000 0.495 245 V N 1.190 120.810 119.914 -0.491 0.000 2.932 245 V HA 0.897 5.023 4.120 0.011 0.000 0.307 245 V C -0.627 175.350 176.094 -0.195 0.000 1.147 245 V CA -0.045 62.070 62.300 -0.309 0.000 0.951 245 V CB 2.396 34.136 31.823 -0.139 0.000 1.031 245 V HN 1.391 nan 8.190 nan 0.000 0.426 246 T N 2.197 116.651 114.554 -0.166 0.000 2.909 246 T HA 0.769 5.126 4.350 0.011 0.000 0.299 246 T C -0.918 173.627 174.700 -0.259 0.000 1.073 246 T CA -0.716 61.228 62.100 -0.260 0.000 0.999 246 T CB 2.132 70.809 68.868 -0.318 0.000 1.098 246 T HN 0.725 nan 8.240 nan 0.000 0.477 247 E N 0.778 120.733 120.200 -0.408 0.000 2.238 247 E HA 0.612 4.968 4.350 0.011 0.000 0.267 247 E C -1.570 174.739 176.600 -0.485 0.000 0.887 247 E CA -0.820 55.434 56.400 -0.244 0.000 0.769 247 E CB 1.819 31.463 29.700 -0.093 0.000 1.187 247 E HN 0.577 nan 8.360 nan 0.000 0.416 248 F N 1.286 121.239 119.950 0.006 0.000 2.536 248 F HA 0.257 4.791 4.527 0.011 0.000 0.322 248 F C -0.308 175.498 175.800 0.011 0.000 1.144 248 F CA -1.072 56.931 58.000 0.004 0.000 0.924 248 F CB 1.464 40.463 39.000 -0.001 0.000 1.181 248 F HN 0.189 nan 8.300 nan 0.000 0.438 249 D N 4.986 125.480 120.400 0.157 0.000 2.422 249 D HA 0.213 4.859 4.640 0.011 0.000 0.227 249 D C 1.327 177.693 176.300 0.110 0.000 1.190 249 D CA 0.138 54.202 54.000 0.105 0.000 0.905 249 D CB 1.155 41.993 40.800 0.063 0.000 1.034 249 D HN 0.556 nan 8.370 nan 0.000 0.507 250 L N 1.003 122.289 121.223 0.104 0.000 2.275 250 L HA -0.092 4.254 4.340 0.011 0.000 0.215 250 L C 1.290 178.189 176.870 0.048 0.000 1.119 250 L CA 0.730 55.611 54.840 0.068 0.000 0.790 250 L CB -0.249 41.836 42.059 0.042 0.000 0.919 250 L HN 0.303 nan 8.230 nan 0.000 0.443 251 S N -3.103 112.626 115.700 0.049 0.000 2.636 251 S HA 0.355 4.832 4.470 0.011 0.000 0.268 251 S C -2.508 172.116 174.600 0.039 0.000 1.159 251 S CA -0.937 57.285 58.200 0.038 0.000 0.815 251 S CB 1.266 64.485 63.200 0.031 0.000 1.130 251 S HN -0.292 nan 8.310 nan 0.000 0.471 252 P HA 0.169 nan 4.420 nan 0.000 0.230 252 P C -0.049 177.272 177.300 0.035 0.000 1.158 252 P CA 0.927 64.046 63.100 0.032 0.000 0.769 252 P CB -0.026 31.690 31.700 0.027 0.000 0.807 253 D N -2.469 117.953 120.400 0.037 0.000 2.433 253 D HA 0.081 4.727 4.640 0.011 0.000 0.211 253 D C 0.008 176.335 176.300 0.046 0.000 1.114 253 D CA 0.649 54.674 54.000 0.041 0.000 0.837 253 D CB 0.313 41.137 40.800 0.041 0.000 0.984 253 D HN 0.063 nan 8.370 nan 0.000 0.505 254 T N 1.194 115.776 114.554 0.047 0.000 2.812 254 T HA 0.483 4.839 4.350 0.011 0.000 0.282 254 T C -0.743 173.997 174.700 0.067 0.000 0.990 254 T CA -0.580 61.552 62.100 0.054 0.000 0.960 254 T CB 2.090 70.986 68.868 0.046 0.000 0.948 254 T HN -0.143 nan 8.240 nan 0.000 0.438 255 L N 4.632 125.899 121.223 0.074 0.000 2.319 255 L HA 0.746 5.092 4.340 0.011 0.000 0.281 255 L C -1.346 175.590 176.870 0.111 0.000 1.005 255 L CA -0.961 53.934 54.840 0.091 0.000 0.828 255 L CB 1.226 43.332 42.059 0.078 0.000 1.227 255 L HN 0.584 nan 8.230 nan 0.000 0.415 256 L N 4.783 126.099 121.223 0.156 0.000 2.307 256 L HA 0.767 5.113 4.340 0.011 0.000 0.284 256 L C -0.610 176.409 176.870 0.249 0.000 1.023 256 L CA 0.419 55.364 54.840 0.175 0.000 0.810 256 L CB 1.880 44.026 42.059 0.145 0.000 1.231 256 L HN 0.707 nan 8.230 nan 0.000 0.423 257 T N 4.399 119.068 114.554 0.193 0.000 2.848 257 T HA 0.748 5.105 4.350 0.011 0.000 0.285 257 T C -1.092 173.685 174.700 0.128 0.000 0.995 257 T CA -0.451 61.755 62.100 0.177 0.000 0.970 257 T CB 1.628 70.608 68.868 0.187 0.000 0.976 257 T HN 0.395 nan 8.240 nan 0.000 0.441 258 V N 1.849 121.798 119.914 0.057 0.000 2.733 258 V HA 0.928 5.055 4.120 0.011 0.000 0.306 258 V C 0.212 176.080 176.094 -0.377 0.000 1.084 258 V CA -0.576 61.650 62.300 -0.123 0.000 0.905 258 V CB 2.099 33.926 31.823 0.007 0.000 1.010 258 V HN 1.115 nan 8.190 nan 0.000 0.424 259 G N 2.077 110.318 108.800 -0.933 0.000 2.684 259 G HA2 0.973 4.939 3.960 0.011 0.000 0.290 259 G HA3 0.973 4.939 3.960 0.011 0.000 0.290 259 G C -1.365 173.039 174.900 -0.826 0.000 1.425 259 G CA -0.110 44.342 45.100 -1.079 0.000 0.822 259 G HN 1.293 nan 8.290 nan 0.000 0.482 260 A N -0.491 122.178 122.820 -0.251 0.000 2.606 260 A HA 0.886 5.212 4.320 0.011 0.000 0.293 260 A C -1.095 176.674 177.584 0.308 0.000 1.082 260 A CA -0.474 51.616 52.037 0.089 0.000 0.685 260 A CB 2.134 21.160 19.000 0.043 0.000 1.284 260 A HN 0.959 nan 8.150 nan 0.000 0.408 261 Q N -0.002 120.026 119.800 0.380 0.000 2.377 261 Q HA 0.586 4.932 4.340 0.011 0.000 0.279 261 Q C -2.462 173.740 176.000 0.336 0.000 1.049 261 Q CA -0.613 55.420 55.803 0.384 0.000 0.825 261 Q CB 2.268 31.235 28.738 0.382 0.000 1.401 261 Q HN 0.987 nan 8.270 nan 0.000 0.404 262 Y N 2.281 122.656 120.300 0.124 0.000 2.373 262 Y HA 0.432 4.988 4.550 0.011 0.000 0.336 262 Y C -1.716 174.175 175.900 -0.015 0.000 0.979 262 Y CA -0.445 57.664 58.100 0.016 0.000 1.080 262 Y CB 1.964 40.457 38.460 0.055 0.000 1.190 262 Y HN 0.684 nan 8.280 nan 0.000 0.446 263 Q N 5.345 124.746 119.800 -0.665 0.000 2.292 263 Q HA 0.296 4.642 4.340 0.011 0.000 0.270 263 Q C -2.089 173.496 176.000 -0.692 0.000 1.024 263 Q CA -0.860 54.593 55.803 -0.585 0.000 0.768 263 Q CB 1.240 29.800 28.738 -0.296 0.000 1.250 263 Q HN 0.919 nan 8.270 nan 0.000 0.447 264 H N 4.577 123.232 119.070 -0.692 0.000 2.539 264 H HA 0.538 5.100 4.556 0.010 0.000 0.332 264 H C -1.347 173.887 175.328 -0.158 0.000 1.031 264 H CA -0.357 55.466 56.048 -0.375 0.000 1.206 264 H CB 0.749 30.355 29.762 -0.260 0.000 1.446 264 H HN 0.566 nan 8.280 nan 0.000 0.496 265 I N 4.491 124.779 120.570 -0.469 0.000 2.436 265 I HA 0.225 4.401 4.170 0.011 0.000 0.289 265 I C -0.860 175.121 176.117 -0.227 0.000 1.010 265 I CA -0.774 60.370 61.300 -0.259 0.000 1.098 265 I CB 1.828 39.740 38.000 -0.148 0.000 1.266 265 I HN 0.587 nan 8.210 nan 0.000 0.434 266 D N 4.772 125.090 120.400 -0.137 0.000 2.649 266 D HA 0.586 5.232 4.640 0.011 0.000 0.249 266 D C -1.029 175.355 176.300 0.140 0.000 1.112 266 D CA -0.049 53.956 54.000 0.009 0.000 0.850 266 D CB 2.022 42.873 40.800 0.084 0.000 1.399 266 D HN 0.589 nan 8.370 nan 0.000 0.503 267 S N 2.431 118.253 115.700 0.204 0.000 2.556 267 S HA 0.583 5.059 4.470 0.011 0.000 0.271 267 S C -0.565 174.183 174.600 0.246 0.000 1.135 267 S CA -0.924 57.425 58.200 0.248 0.000 0.858 267 S CB 0.913 64.316 63.200 0.337 0.000 1.114 267 S HN 0.384 nan 8.310 nan 0.000 0.468 268 I N 2.773 123.480 120.570 0.229 0.000 2.287 268 I HA 0.232 4.408 4.170 0.011 0.000 0.290 268 I C 1.077 177.344 176.117 0.250 0.000 1.069 268 I CA -0.206 61.223 61.300 0.216 0.000 1.237 268 I CB 1.044 39.135 38.000 0.152 0.000 1.418 268 I HN 0.800 nan 8.210 nan 0.000 0.481 269 T N 4.377 119.106 114.554 0.292 0.000 2.801 269 T HA 0.135 4.491 4.350 0.011 0.000 0.324 269 T C 0.093 174.937 174.700 0.240 0.000 1.088 269 T CA -0.157 62.130 62.100 0.312 0.000 0.975 269 T CB 0.505 69.624 68.868 0.418 0.000 1.316 269 T HN 0.612 nan 8.240 nan 0.000 0.533 270 N N 1.093 119.818 118.700 0.041 0.000 2.793 270 N HA 0.184 4.930 4.740 0.011 0.000 0.251 270 N C 0.256 175.340 175.510 -0.710 0.000 1.308 270 N CA -0.380 52.489 53.050 -0.301 0.000 0.781 270 N CB 0.320 38.588 38.487 -0.365 0.000 1.439 270 N HN 0.391 nan 8.380 nan 0.000 0.562 271 M N 0.813 120.073 119.600 -0.568 0.000 2.287 271 M HA 0.186 4.672 4.480 0.011 0.000 0.266 271 M C 1.776 177.544 176.300 -0.885 0.000 1.079 271 M CA 0.903 55.737 55.300 -0.776 0.000 1.146 271 M CB -1.034 31.053 32.600 -0.854 0.000 1.374 271 M HN 0.583 nan 8.290 nan 0.000 0.435 272 A N 0.086 122.554 122.820 -0.587 0.000 2.066 272 A HA 0.320 4.646 4.320 0.011 0.000 0.218 272 A C 1.706 179.010 177.584 -0.466 0.000 1.157 272 A CA 1.340 53.145 52.037 -0.386 0.000 0.670 272 A CB -0.942 17.980 19.000 -0.129 0.000 0.804 272 A HN 0.538 nan 8.150 nan 0.000 0.453 273 G N -1.038 107.393 108.800 -0.615 0.000 2.634 273 G HA2 -0.199 3.767 3.960 0.011 0.000 0.309 273 G HA3 -0.199 3.767 3.960 0.011 0.000 0.309 273 G C 0.392 175.076 174.900 -0.361 0.000 1.265 273 G CA 1.820 46.590 45.100 -0.551 0.000 0.998 273 G HN 1.871 nan 8.290 nan 0.000 0.551 274 V N -2.166 117.581 119.914 -0.278 0.000 2.876 274 V HA 0.871 4.997 4.120 0.011 0.000 0.312 274 V C -2.248 173.727 176.094 -0.199 0.000 1.085 274 V CA -1.200 60.978 62.300 -0.203 0.000 0.945 274 V CB 2.300 34.030 31.823 -0.155 0.000 1.017 274 V HN 0.919 nan 8.190 nan 0.000 0.428 275 P HA 0.559 nan 4.420 nan 0.000 0.297 275 P C -1.077 176.102 177.300 -0.201 0.000 1.307 275 P CA -0.577 62.404 63.100 -0.199 0.000 0.773 275 P CB 1.388 32.958 31.700 -0.217 0.000 1.265 276 M N -1.163 118.314 119.600 -0.204 0.000 2.821 276 M HA 0.563 5.050 4.480 0.011 0.000 0.294 276 M C 0.297 176.514 176.300 -0.139 0.000 1.195 276 M CA -1.162 54.034 55.300 -0.175 0.000 0.784 276 M CB 0.873 33.353 32.600 -0.199 0.000 1.755 276 M HN 0.349 nan 8.290 nan 0.000 0.477 277 A N 0.411 123.172 122.820 -0.098 0.000 2.346 277 A HA 0.262 4.588 4.320 0.011 0.000 0.252 277 A C 1.065 178.600 177.584 -0.081 0.000 1.089 277 A CA -0.117 51.876 52.037 -0.074 0.000 0.797 277 A CB 0.224 19.202 19.000 -0.037 0.000 1.047 277 A HN 0.843 nan 8.150 nan 0.000 0.494 278 K N -0.021 120.337 120.400 -0.069 0.000 2.113 278 K HA -0.181 4.145 4.320 0.011 0.000 0.208 278 K C 0.709 177.283 176.600 -0.044 0.000 1.047 278 K CA 1.886 58.135 56.287 -0.063 0.000 0.928 278 K CB -0.123 32.348 32.500 -0.048 0.000 0.716 278 K HN 0.880 nan 8.250 nan 0.000 0.446 279 D N -1.203 119.177 120.400 -0.034 0.000 2.319 279 D HA 0.020 4.666 4.640 0.011 0.000 0.230 279 D C 0.996 177.279 176.300 -0.027 0.000 1.094 279 D CA 0.752 54.739 54.000 -0.022 0.000 0.856 279 D CB 0.204 40.996 40.800 -0.013 0.000 0.915 279 D HN 0.294 nan 8.370 nan 0.000 0.517 280 G N 0.242 109.013 108.800 -0.047 0.000 2.176 280 G HA2 -0.294 3.672 3.960 0.011 0.000 0.253 280 G HA3 -0.294 3.672 3.960 0.011 0.000 0.253 280 G C 0.410 175.266 174.900 -0.073 0.000 0.979 280 G CA 0.409 45.471 45.100 -0.064 0.000 0.641 280 G HN 0.833 nan 8.290 nan 0.000 0.530 281 S N -0.144 115.527 115.700 -0.049 0.000 2.592 281 S HA 0.515 4.991 4.470 0.011 0.000 0.271 281 S C 0.268 174.847 174.600 -0.035 0.000 1.326 281 S CA 0.068 58.249 58.200 -0.032 0.000 1.024 281 S CB 1.651 64.847 63.200 -0.006 0.000 0.921 281 S HN 0.727 nan 8.310 nan 0.000 0.527 282 N N 0.918 119.619 118.700 0.001 0.000 2.483 282 N HA 0.091 4.838 4.740 0.011 0.000 0.264 282 N C 0.524 176.077 175.510 0.073 0.000 1.197 282 N CA -0.123 52.959 53.050 0.053 0.000 0.927 282 N CB -0.045 38.534 38.487 0.153 0.000 1.065 282 N HN 0.722 nan 8.380 nan 0.000 0.461 283 L N 2.547 123.813 121.223 0.073 0.000 2.418 283 L HA 0.192 4.538 4.340 0.011 0.000 0.218 283 L C 1.443 178.400 176.870 0.145 0.000 1.125 283 L CA 0.388 55.275 54.840 0.078 0.000 0.835 283 L CB -0.501 41.564 42.059 0.010 0.000 0.953 283 L HN 0.871 nan 8.230 nan 0.000 0.454 284 G N 1.103 110.017 108.800 0.191 0.000 2.198 284 G HA2 -0.284 3.682 3.960 0.011 0.000 0.260 284 G HA3 -0.284 3.682 3.960 0.011 0.000 0.260 284 G C 0.266 175.300 174.900 0.224 0.000 1.025 284 G CA -0.103 45.122 45.100 0.209 0.000 0.769 284 G HN 0.236 nan 8.290 nan 0.000 0.507 285 L N 0.562 121.936 121.223 0.252 0.000 2.483 285 L HA 0.311 4.657 4.340 0.011 0.000 0.276 285 L C 1.551 178.557 176.870 0.227 0.000 1.213 285 L CA 0.261 55.240 54.840 0.233 0.000 0.843 285 L CB 0.786 42.952 42.059 0.177 0.000 1.107 285 L HN 0.326 nan 8.230 nan 0.000 0.487 286 S N 1.692 117.489 115.700 0.162 0.000 2.552 286 S HA 0.010 4.487 4.470 0.011 0.000 0.289 286 S C 1.319 175.953 174.600 0.056 0.000 1.304 286 S CA -0.202 58.046 58.200 0.080 0.000 1.063 286 S CB 0.442 63.706 63.200 0.107 0.000 0.848 286 S HN 0.597 nan 8.310 nan 0.000 0.499 287 R N 1.716 122.131 120.500 -0.141 0.000 2.193 287 R HA -0.086 4.260 4.340 0.011 0.000 0.229 287 R C 1.191 177.620 176.300 0.214 0.000 1.110 287 R CA 1.518 57.518 56.100 -0.166 0.000 0.988 287 R CB -0.251 29.791 30.300 -0.429 0.000 0.871 287 R HN 0.797 nan 8.270 nan 0.000 0.458 288 D N -0.604 119.901 120.400 0.174 0.000 2.349 288 D HA -0.051 4.596 4.640 0.011 0.000 0.224 288 D C -0.101 176.318 176.300 0.198 0.000 1.029 288 D CA 0.212 54.327 54.000 0.192 0.000 0.879 288 D CB -0.222 40.670 40.800 0.153 0.000 0.906 288 D HN -0.195 nan 8.370 nan 0.000 0.528 289 T N 1.012 115.685 114.554 0.199 0.000 2.867 289 T HA 0.022 4.378 4.350 0.011 0.000 0.297 289 T C -0.847 173.963 174.700 0.183 0.000 0.989 289 T CA 0.182 62.393 62.100 0.186 0.000 1.159 289 T CB 0.105 69.067 68.868 0.156 0.000 0.928 289 T HN 0.164 nan 8.240 nan 0.000 0.538 290 Y N 3.674 124.009 120.300 0.058 0.000 2.338 290 Y HA 0.453 5.010 4.550 0.011 0.000 0.333 290 Y C -0.310 175.641 175.900 0.086 0.000 0.968 290 Y CA -1.110 56.995 58.100 0.007 0.000 1.123 290 Y CB 0.869 39.353 38.460 0.041 0.000 1.165 290 Y HN 0.553 nan 8.280 nan 0.000 0.452 291 L N 5.397 126.380 121.223 -0.400 0.000 3.066 291 L HA 0.343 4.689 4.340 0.011 0.000 0.265 291 L C -0.486 176.079 176.870 -0.509 0.000 1.232 291 L CA -0.008 54.603 54.840 -0.382 0.000 1.031 291 L CB 0.029 41.849 42.059 -0.397 0.000 1.379 291 L HN 0.582 nan 8.230 nan 0.000 0.563 292 D N -0.335 119.612 120.400 -0.756 0.000 2.589 292 D HA 0.523 5.169 4.640 0.011 0.000 0.268 292 D C -0.226 176.051 176.300 -0.038 0.000 1.182 292 D CA -0.176 53.546 54.000 -0.463 0.000 1.087 292 D CB 1.670 42.112 40.800 -0.596 0.000 1.186 292 D HN -0.139 nan 8.370 nan 0.000 0.620 293 V N -1.563 118.271 119.914 -0.132 0.000 3.019 293 V HA 0.429 4.555 4.120 0.011 0.000 0.317 293 V C 0.747 176.696 176.094 -0.240 0.000 1.094 293 V CA -0.675 61.464 62.300 -0.269 0.000 1.000 293 V CB 1.732 32.980 31.823 -0.957 0.000 1.060 293 V HN 0.281 nan 8.190 nan 0.000 0.443 294 D N 1.628 121.867 120.400 -0.268 0.000 2.133 294 D HA -0.164 4.482 4.640 0.011 0.000 0.192 294 D C 1.600 177.933 176.300 0.055 0.000 1.001 294 D CA 2.707 56.660 54.000 -0.079 0.000 0.844 294 D CB -0.025 40.820 40.800 0.076 0.000 0.944 294 D HN 0.920 nan 8.370 nan 0.000 0.447 295 W N 0.585 121.954 121.300 0.115 0.000 3.405 295 W HA 0.246 4.913 4.660 0.011 0.000 0.300 295 W C -0.303 176.303 176.519 0.146 0.000 1.286 295 W CA -0.787 56.623 57.345 0.108 0.000 1.762 295 W CB -0.988 28.507 29.460 0.058 0.000 1.087 295 W HN -0.218 nan 8.180 nan 0.000 0.703 296 D N 2.467 122.940 120.400 0.121 0.000 2.478 296 D HA 0.107 4.753 4.640 0.011 0.000 0.234 296 D C -0.144 176.319 176.300 0.272 0.000 1.154 296 D CA 1.050 55.172 54.000 0.203 0.000 0.874 296 D CB 0.589 41.504 40.800 0.191 0.000 1.198 296 D HN -0.081 nan 8.370 nan 0.000 0.455 297 R N 1.814 122.482 120.500 0.280 0.000 2.560 297 R HA 0.411 4.757 4.340 0.011 0.000 0.267 297 R C -2.355 174.075 176.300 0.218 0.000 1.150 297 R CA -0.613 55.636 56.100 0.248 0.000 0.997 297 R CB 0.372 30.819 30.300 0.244 0.000 1.250 297 R HN 0.257 nan 8.270 nan 0.000 0.433 298 F N 5.151 125.089 119.950 -0.021 0.000 2.579 298 F HA 0.500 5.034 4.527 0.011 0.000 0.325 298 F C -1.183 174.333 175.800 -0.473 0.000 1.162 298 F CA -0.976 56.831 58.000 -0.322 0.000 0.946 298 F CB 1.430 40.203 39.000 -0.379 0.000 1.211 298 F HN 0.565 nan 8.300 nan 0.000 0.447 299 K N 4.655 124.962 120.400 -0.155 0.000 2.378 299 K HA 0.586 4.912 4.320 0.011 0.000 0.252 299 K C -1.609 174.847 176.600 -0.239 0.000 0.931 299 K CA -0.750 55.448 56.287 -0.149 0.000 0.794 299 K CB 2.556 35.083 32.500 0.046 0.000 1.181 299 K HN 0.467 nan 8.250 nan 0.000 0.425 300 W N 1.935 123.151 121.300 -0.139 0.000 2.785 300 W HA 0.312 4.978 4.660 0.011 0.000 0.333 300 W C -0.973 175.477 176.519 -0.115 0.000 1.062 300 W CA -0.608 56.670 57.345 -0.112 0.000 1.233 300 W CB 2.292 31.615 29.460 -0.229 0.000 1.413 300 W HN 0.533 nan 8.180 nan 0.000 0.489 301 D N 1.785 122.323 120.400 0.230 0.000 2.502 301 D HA 0.373 5.019 4.640 0.011 0.000 0.249 301 D C -0.653 175.647 176.300 0.000 0.000 1.092 301 D CA -0.073 54.000 54.000 0.122 0.000 0.839 301 D CB 2.643 43.630 40.800 0.312 0.000 1.264 301 D HN -0.007 nan 8.370 nan 0.000 0.511 302 T N 2.225 116.650 114.554 -0.216 0.000 2.824 302 T HA 0.434 4.790 4.350 0.011 0.000 0.282 302 T C -0.851 173.723 174.700 -0.210 0.000 0.993 302 T CA -0.497 61.531 62.100 -0.119 0.000 0.967 302 T CB 0.721 69.538 68.868 -0.085 0.000 0.960 302 T HN 0.122 nan 8.240 nan 0.000 0.441 303 Y N 1.941 122.382 120.300 0.235 0.000 2.350 303 Y HA 0.647 5.203 4.550 0.011 0.000 0.338 303 Y C 0.607 176.653 175.900 0.242 0.000 0.961 303 Y CA -1.109 57.159 58.100 0.280 0.000 1.100 303 Y CB 1.580 40.203 38.460 0.272 0.000 1.179 303 Y HN 0.325 nan 8.280 nan 0.000 0.454 304 R N 1.875 122.614 120.500 0.398 0.000 2.744 304 R HA 0.937 5.284 4.340 0.011 0.000 0.279 304 R C -1.387 175.158 176.300 0.409 0.000 0.977 304 R CA -1.298 55.030 56.100 0.380 0.000 0.906 304 R CB 2.386 32.887 30.300 0.335 0.000 1.197 304 R HN 0.710 nan 8.270 nan 0.000 0.463 305 A N 2.563 125.633 122.820 0.417 0.000 2.455 305 A HA 0.787 5.114 4.320 0.011 0.000 0.300 305 A C -1.241 176.554 177.584 0.351 0.000 1.040 305 A CA -0.678 51.524 52.037 0.274 0.000 0.697 305 A CB 0.895 20.014 19.000 0.198 0.000 1.265 305 A HN 0.656 nan 8.150 nan 0.000 0.407 306 F N -0.096 119.956 119.950 0.170 0.000 2.662 306 F HA 0.957 5.490 4.527 0.010 0.000 0.312 306 F C 0.023 175.902 175.800 0.130 0.000 1.113 306 F CA -0.481 57.614 58.000 0.158 0.000 0.951 306 F CB 1.301 40.401 39.000 0.167 0.000 1.344 306 F HN 1.116 nan 8.300 nan 0.000 0.462 307 G N -0.016 108.961 108.800 0.296 0.000 2.576 307 G HA2 0.663 4.630 3.960 0.011 0.000 0.290 307 G HA3 0.663 4.630 3.960 0.011 0.000 0.290 307 G C -1.959 173.072 174.900 0.219 0.000 1.442 307 G CA -0.458 44.746 45.100 0.173 0.000 0.792 307 G HN 1.555 nan 8.290 nan 0.000 0.491 308 S N -1.280 114.525 115.700 0.175 0.000 2.547 308 S HA 0.749 5.225 4.470 0.011 0.000 0.270 308 S C -1.902 172.769 174.600 0.118 0.000 1.150 308 S CA -0.773 57.518 58.200 0.152 0.000 0.850 308 S CB 1.976 65.279 63.200 0.171 0.000 1.118 308 S HN 1.617 nan 8.310 nan 0.000 0.461 309 L N 1.340 122.621 121.223 0.097 0.000 2.406 309 L HA 0.719 5.065 4.340 0.011 0.000 0.272 309 L C -0.759 176.157 176.870 0.077 0.000 0.980 309 L CA -0.092 54.796 54.840 0.080 0.000 0.831 309 L CB 1.651 43.745 42.059 0.059 0.000 1.253 309 L HN 1.006 nan 8.230 nan 0.000 0.406 310 E N 3.173 123.419 120.200 0.076 0.000 2.199 310 E HA 0.568 4.924 4.350 0.011 0.000 0.269 310 E C -1.540 175.099 176.600 0.065 0.000 0.899 310 E CA -0.656 55.786 56.400 0.071 0.000 0.772 310 E CB 1.663 31.404 29.700 0.070 0.000 1.155 310 E HN 0.614 nan 8.360 nan 0.000 0.408 311 Q N 2.925 122.765 119.800 0.066 0.000 2.304 311 Q HA 0.220 4.566 4.340 0.011 0.000 0.270 311 Q C -1.458 174.586 176.000 0.073 0.000 1.035 311 Q CA -0.794 55.047 55.803 0.064 0.000 0.781 311 Q CB 1.565 30.338 28.738 0.059 0.000 1.261 311 Q HN 0.362 nan 8.270 nan 0.000 0.444 312 Q N 3.729 123.569 119.800 0.066 0.000 2.313 312 Q HA 0.212 4.559 4.340 0.011 0.000 0.266 312 Q C -0.133 175.920 176.000 0.088 0.000 0.989 312 Q CA 0.368 56.216 55.803 0.075 0.000 0.890 312 Q CB 1.018 29.791 28.738 0.060 0.000 1.200 312 Q HN 0.838 nan 8.270 nan 0.000 0.396 313 L N 0.846 122.144 121.223 0.125 0.000 2.808 313 L HA 0.302 4.648 4.340 0.011 0.000 0.246 313 L C 0.832 177.775 176.870 0.121 0.000 1.153 313 L CA -0.031 54.883 54.840 0.123 0.000 0.956 313 L CB 0.183 42.340 42.059 0.163 0.000 1.270 313 L HN 0.827 nan 8.230 nan 0.000 0.528 314 G N -0.254 108.621 108.800 0.126 0.000 2.733 314 G HA2 0.091 4.057 3.960 0.011 0.000 0.686 314 G HA3 0.091 4.057 3.960 0.011 0.000 0.686 314 G C 0.647 175.653 174.900 0.177 0.000 1.373 314 G CA -0.327 44.841 45.100 0.113 0.000 0.838 314 G HN 0.597 nan 8.290 nan 0.000 0.588 315 G N -0.842 108.049 108.800 0.152 0.000 2.155 315 G HA2 0.340 4.307 3.960 0.011 0.000 0.257 315 G HA3 0.340 4.307 3.960 0.011 0.000 0.257 315 G C 1.935 176.999 174.900 0.275 0.000 0.983 315 G CA 1.076 46.301 45.100 0.208 0.000 0.676 315 G HN 3.192 nan 8.290 nan 0.000 0.528 316 G N -2.761 106.150 108.800 0.184 0.000 2.157 316 G HA2 -0.263 3.704 3.960 0.011 0.000 0.248 316 G HA3 -0.263 3.704 3.960 0.011 0.000 0.248 316 G C 0.300 175.207 174.900 0.011 0.000 0.979 316 G CA 0.571 45.719 45.100 0.080 0.000 0.650 316 G HN 1.085 nan 8.290 nan 0.000 0.529 317 W N 0.888 122.201 121.300 0.022 0.000 2.381 317 W HA 0.726 5.392 4.660 0.011 0.000 0.329 317 W C 0.674 177.208 176.519 0.024 0.000 1.157 317 W CA -0.342 57.017 57.345 0.024 0.000 1.240 317 W CB 0.949 30.422 29.460 0.022 0.000 1.199 317 W HN 0.014 nan 8.180 nan 0.000 0.579 318 K N 1.506 122.000 120.400 0.157 0.000 2.469 318 K HA 0.732 5.058 4.320 0.011 0.000 0.254 318 K C -0.330 176.357 176.600 0.146 0.000 0.939 318 K CA -1.082 55.276 56.287 0.118 0.000 0.812 318 K CB 2.267 34.789 32.500 0.038 0.000 1.301 318 K HN 0.586 nan 8.250 nan 0.000 0.433 319 G N 1.359 110.233 108.800 0.124 0.000 2.495 319 G HA2 0.576 4.542 3.960 0.011 0.000 0.318 319 G HA3 0.576 4.542 3.960 0.011 0.000 0.318 319 G C -1.450 173.502 174.900 0.086 0.000 1.257 319 G CA -0.390 44.778 45.100 0.114 0.000 0.962 319 G HN 0.418 nan 8.290 nan 0.000 0.483 320 K N 0.816 121.266 120.400 0.082 0.000 2.535 320 K HA 0.551 4.878 4.320 0.011 0.000 0.251 320 K C -1.951 174.698 176.600 0.083 0.000 0.942 320 K CA -0.706 55.628 56.287 0.080 0.000 0.798 320 K CB 2.926 35.474 32.500 0.079 0.000 1.267 320 K HN 0.468 nan 8.250 nan 0.000 0.434 321 V N 3.000 122.963 119.914 0.082 0.000 2.487 321 V HA 0.615 4.741 4.120 0.011 0.000 0.298 321 V C -1.396 174.760 176.094 0.102 0.000 1.028 321 V CA -0.134 62.218 62.300 0.085 0.000 0.860 321 V CB 1.865 33.728 31.823 0.067 0.000 0.991 321 V HN 0.834 nan 8.190 nan 0.000 0.427 322 S N 5.084 120.854 115.700 0.116 0.000 2.513 322 S HA 0.950 5.426 4.470 0.011 0.000 0.299 322 S C -0.406 174.284 174.600 0.150 0.000 1.087 322 S CA -0.190 58.093 58.200 0.139 0.000 1.012 322 S CB 1.768 65.049 63.200 0.135 0.000 1.044 322 S HN 1.380 nan 8.310 nan 0.000 0.485 323 A N 2.336 125.263 122.820 0.179 0.000 2.475 323 A HA 0.848 5.174 4.320 0.011 0.000 0.301 323 A C -1.204 176.528 177.584 0.246 0.000 1.059 323 A CA -0.753 51.398 52.037 0.190 0.000 0.710 323 A CB 1.332 20.427 19.000 0.159 0.000 1.288 323 A HN 0.665 nan 8.150 nan 0.000 0.408 324 E N 0.323 120.671 120.200 0.246 0.000 2.308 324 E HA 0.367 4.723 4.350 0.011 0.000 0.275 324 E C -2.176 174.602 176.600 0.297 0.000 0.890 324 E CA -0.321 56.249 56.400 0.283 0.000 0.754 324 E CB 2.599 32.425 29.700 0.210 0.000 1.207 324 E HN 0.609 nan 8.360 nan 0.000 0.426 325 Y N 1.685 122.099 120.300 0.191 0.000 2.391 325 Y HA 0.310 4.866 4.550 0.010 0.000 0.341 325 Y C -1.040 174.967 175.900 0.179 0.000 0.965 325 Y CA -0.450 57.747 58.100 0.161 0.000 1.067 325 Y CB 1.816 40.359 38.460 0.139 0.000 1.199 325 Y HN 0.466 nan 8.280 nan 0.000 0.450 326 Q N 5.369 124.904 119.800 -0.442 0.000 2.285 326 Q HA 0.339 4.686 4.340 0.011 0.000 0.269 326 Q C -1.898 173.911 176.000 -0.318 0.000 1.030 326 Q CA -0.754 54.931 55.803 -0.196 0.000 0.788 326 Q CB 1.919 30.628 28.738 -0.048 0.000 1.266 326 Q HN 0.848 nan 8.270 nan 0.000 0.438 327 E N 2.697 122.881 120.200 -0.027 0.000 2.176 327 E HA 0.718 5.074 4.350 0.011 0.000 0.267 327 E C -1.876 174.866 176.600 0.237 0.000 0.893 327 E CA -0.655 55.801 56.400 0.094 0.000 0.761 327 E CB 1.687 31.529 29.700 0.237 0.000 1.133 327 E HN 0.620 nan 8.360 nan 0.000 0.409 328 A N 5.155 128.081 122.820 0.176 0.000 2.357 328 A HA 0.448 4.774 4.320 0.011 0.000 0.295 328 A C -1.292 176.427 177.584 0.224 0.000 1.121 328 A CA -0.843 51.309 52.037 0.191 0.000 0.742 328 A CB 0.940 20.007 19.000 0.112 0.000 1.181 328 A HN 0.697 nan 8.150 nan 0.000 0.454 329 D N 1.196 121.757 120.400 0.268 0.000 2.374 329 D HA 0.749 5.395 4.640 0.011 0.000 0.239 329 D C -0.256 176.196 176.300 0.252 0.000 0.991 329 D CA -0.172 53.979 54.000 0.253 0.000 0.960 329 D CB 2.089 43.031 40.800 0.236 0.000 1.284 329 D HN 0.695 nan 8.370 nan 0.000 0.512 330 S N -0.194 115.640 115.700 0.225 0.000 2.565 330 S HA 0.706 5.183 4.470 0.011 0.000 0.269 330 S C -1.084 173.621 174.600 0.175 0.000 1.153 330 S CA -1.034 57.244 58.200 0.129 0.000 0.835 330 S CB 2.380 65.569 63.200 -0.018 0.000 1.122 330 S HN 0.418 nan 8.310 nan 0.000 0.462 331 R N 0.248 120.817 120.500 0.116 0.000 2.621 331 R HA 0.758 5.105 4.340 0.011 0.000 0.284 331 R C -1.837 174.499 176.300 0.059 0.000 0.998 331 R CA -0.786 55.372 56.100 0.096 0.000 0.895 331 R CB 1.986 32.334 30.300 0.079 0.000 1.195 331 R HN 0.656 nan 8.270 nan 0.000 0.450 332 L N 2.519 123.748 121.223 0.011 0.000 2.436 332 L HA 0.620 4.966 4.340 0.011 0.000 0.268 332 L C -1.401 175.558 176.870 0.149 0.000 0.974 332 L CA -0.411 54.331 54.840 -0.164 0.000 0.826 332 L CB 1.730 43.370 42.059 -0.699 0.000 1.291 332 L HN 0.732 nan 8.230 nan 0.000 0.406 333 R N 3.653 124.295 120.500 0.237 0.000 2.574 333 R HA 0.802 5.149 4.340 0.011 0.000 0.288 333 R C -1.841 174.784 176.300 0.542 0.000 1.004 333 R CA -0.725 55.630 56.100 0.426 0.000 0.895 333 R CB 1.550 32.122 30.300 0.454 0.000 1.191 333 R HN 0.681 nan 8.270 nan 0.000 0.444 334 Y N -0.333 120.238 120.300 0.453 0.000 2.713 334 Y HA 0.846 5.402 4.550 0.011 0.000 0.335 334 Y C -2.181 173.928 175.900 0.349 0.000 1.222 334 Y CA -1.047 57.215 58.100 0.270 0.000 1.061 334 Y CB 1.182 39.708 38.460 0.109 0.000 1.314 334 Y HN 0.984 nan 8.280 nan 0.000 0.453 335 A N 1.064 123.766 122.820 -0.196 0.000 2.491 335 A HA 0.827 5.154 4.320 0.011 0.000 0.293 335 A C -0.829 176.726 177.584 -0.049 0.000 1.047 335 A CA -0.033 51.873 52.037 -0.219 0.000 0.735 335 A CB 0.942 19.838 19.000 -0.172 0.000 1.281 335 A HN 1.947 nan 8.150 nan 0.000 0.398 336 G N -0.259 108.602 108.800 0.101 0.000 2.708 336 G HA2 0.598 4.564 3.960 0.011 0.000 0.289 336 G HA3 0.598 4.564 3.960 0.011 0.000 0.289 336 G C -0.627 174.277 174.900 0.008 0.000 1.416 336 G CA 0.017 45.135 45.100 0.030 0.000 0.829 336 G HN 1.262 nan 8.290 nan 0.000 0.480 337 S N -0.584 115.016 115.700 -0.166 0.000 2.505 337 S HA 0.547 5.023 4.470 0.011 0.000 0.276 337 S C -0.974 173.632 174.600 0.012 0.000 1.274 337 S CA -0.482 57.594 58.200 -0.207 0.000 1.053 337 S CB -0.121 62.828 63.200 -0.419 0.000 0.919 337 S HN 0.577 nan 8.310 nan 0.000 0.490 338 F N 4.348 124.140 119.950 -0.263 0.000 2.493 338 F HA 0.703 5.237 4.527 0.010 0.000 0.329 338 F C 0.097 175.688 175.800 -0.349 0.000 1.126 338 F CA 0.387 58.108 58.000 -0.465 0.000 0.937 338 F CB 1.482 39.988 39.000 -0.823 0.000 1.146 338 F HN 0.841 nan 8.300 nan 0.000 0.442 339 G N 4.058 112.298 108.800 -0.934 0.000 2.542 339 G HA2 0.482 4.449 3.960 0.011 0.000 0.391 339 G HA3 0.482 4.449 3.960 0.011 0.000 0.391 339 G C -1.251 173.391 174.900 -0.431 0.000 1.551 339 G CA -0.554 44.180 45.100 -0.610 0.000 0.946 339 G HN 1.152 nan 8.290 nan 0.000 0.662 340 A N 2.563 125.157 122.820 -0.376 0.000 2.466 340 A HA 0.642 4.969 4.320 0.011 0.000 0.238 340 A C 0.714 178.186 177.584 -0.187 0.000 1.074 340 A CA 0.078 51.963 52.037 -0.254 0.000 0.774 340 A CB 0.182 19.064 19.000 -0.196 0.000 1.015 340 A HN 1.039 nan 8.150 nan 0.000 0.498 341 I N 0.920 121.396 120.570 -0.157 0.000 2.525 341 I HA 0.239 4.415 4.170 0.011 0.000 0.301 341 I C -0.166 175.906 176.117 -0.075 0.000 0.992 341 I CA -0.659 60.566 61.300 -0.126 0.000 1.162 341 I CB 1.528 39.432 38.000 -0.160 0.000 1.332 341 I HN 0.716 nan 8.210 nan 0.000 0.458 342 D N 6.955 127.328 120.400 -0.045 0.000 2.365 342 D HA 0.265 4.911 4.640 0.011 0.000 0.237 342 D C -1.902 174.416 176.300 0.030 0.000 1.190 342 D CA -2.084 51.912 54.000 -0.006 0.000 0.867 342 D CB 1.685 42.488 40.800 0.006 0.000 1.050 342 D HN 0.110 nan 8.370 nan 0.000 0.491 343 P HA -0.194 nan 4.420 nan 0.000 0.216 343 P C 1.190 178.583 177.300 0.155 0.000 1.150 343 P CA 1.204 64.364 63.100 0.100 0.000 0.843 343 P CB 0.229 31.972 31.700 0.071 0.000 0.787 344 Q N -1.166 118.693 119.800 0.099 0.000 2.224 344 Q HA -0.087 4.260 4.340 0.011 0.000 0.203 344 Q C 1.819 177.886 176.000 0.112 0.000 0.970 344 Q CA 2.140 57.995 55.803 0.086 0.000 0.865 344 Q CB -1.121 27.647 28.738 0.051 0.000 0.922 344 Q HN 0.438 nan 8.270 nan 0.000 0.445 345 T N -5.636 109.005 114.554 0.145 0.000 2.987 345 T HA 0.384 4.741 4.350 0.011 0.000 0.248 345 T C 1.419 176.287 174.700 0.279 0.000 0.997 345 T CA 0.813 63.010 62.100 0.161 0.000 1.013 345 T CB 0.704 69.626 68.868 0.091 0.000 1.077 345 T HN 0.311 nan 8.240 nan 0.000 0.483 346 G N 1.618 110.548 108.800 0.217 0.000 2.175 346 G HA2 -0.169 3.797 3.960 0.011 0.000 0.244 346 G HA3 -0.169 3.797 3.960 0.011 0.000 0.244 346 G C -0.326 174.548 174.900 -0.044 0.000 0.982 346 G CA 0.130 45.231 45.100 0.001 0.000 0.641 346 G HN 0.610 nan 8.290 nan 0.000 0.527 347 D N -0.273 120.134 120.400 0.012 0.000 2.348 347 D HA 0.555 5.201 4.640 0.011 0.000 0.249 347 D C 1.288 177.555 176.300 -0.056 0.000 1.110 347 D CA 1.173 55.165 54.000 -0.014 0.000 0.967 347 D CB 1.143 41.952 40.800 0.014 0.000 1.139 347 D HN 1.046 nan 8.370 nan 0.000 0.466 348 G N -0.450 108.308 108.800 -0.071 0.000 2.813 348 G HA2 -0.063 3.904 3.960 0.011 0.000 0.194 348 G HA3 -0.063 3.904 3.960 0.011 0.000 0.194 348 G C 0.584 175.405 174.900 -0.132 0.000 1.010 348 G CA 0.014 45.056 45.100 -0.096 0.000 0.771 348 G HN 0.748 nan 8.290 nan 0.000 0.485 349 G N -0.318 108.389 108.800 -0.154 0.000 2.476 349 G HA2 0.574 4.541 3.960 0.011 0.000 0.286 349 G HA3 0.574 4.541 3.960 0.011 0.000 0.286 349 G C -0.532 174.277 174.900 -0.152 0.000 1.177 349 G CA 0.096 45.081 45.100 -0.192 0.000 0.870 349 G HN 0.535 nan 8.290 nan 0.000 0.528 350 Q N 0.213 119.934 119.800 -0.132 0.000 2.263 350 Q HA 0.419 4.766 4.340 0.011 0.000 0.266 350 Q C -1.001 174.933 176.000 -0.110 0.000 1.002 350 Q CA -0.762 54.985 55.803 -0.093 0.000 0.790 350 Q CB 1.730 30.447 28.738 -0.034 0.000 1.272 350 Q HN 0.508 nan 8.270 nan 0.000 0.435 351 L N 5.099 126.242 121.223 -0.134 0.000 2.513 351 L HA 0.422 4.768 4.340 0.011 0.000 0.272 351 L C -0.719 176.128 176.870 -0.038 0.000 1.187 351 L CA 1.062 55.834 54.840 -0.114 0.000 0.895 351 L CB 0.000 42.025 42.059 -0.056 0.000 1.147 351 L HN 0.895 nan 8.230 nan 0.000 0.483 352 M N 3.737 123.328 119.600 -0.015 0.000 2.520 352 M HA 0.949 5.435 4.480 0.011 0.000 0.283 352 M C -0.431 175.855 176.300 -0.024 0.000 1.237 352 M CA -0.289 55.003 55.300 -0.012 0.000 0.885 352 M CB 2.164 34.700 32.600 -0.107 0.000 1.727 352 M HN 0.602 nan 8.290 nan 0.000 0.468 353 G N 0.390 109.154 108.800 -0.060 0.000 2.342 353 G HA2 0.854 4.821 3.960 0.011 0.000 0.297 353 G HA3 0.854 4.821 3.960 0.011 0.000 0.297 353 G C -2.272 172.416 174.900 -0.354 0.000 1.313 353 G CA -0.197 44.651 45.100 -0.420 0.000 0.830 353 G HN 1.563 nan 8.290 nan 0.000 0.506 354 A N -1.669 120.755 122.820 -0.660 0.000 2.483 354 A HA 1.068 5.395 4.320 0.011 0.000 0.306 354 A C -0.869 176.260 177.584 -0.758 0.000 1.137 354 A CA 0.376 51.797 52.037 -1.025 0.000 0.626 354 A CB 0.727 19.367 19.000 -0.599 0.000 1.352 354 A HN 2.583 nan 8.150 nan 0.000 0.508 355 A N -0.893 121.414 122.820 -0.855 0.000 2.435 355 A HA 0.901 5.228 4.320 0.011 0.000 0.304 355 A C -1.523 175.740 177.584 -0.535 0.000 1.064 355 A CA -0.382 51.428 52.037 -0.379 0.000 0.727 355 A CB 0.925 19.801 19.000 -0.208 0.000 1.284 355 A HN 1.348 nan 8.150 nan 0.000 0.415 356 Y N -0.198 120.144 120.300 0.070 0.000 2.625 356 Y HA 0.637 5.193 4.550 0.011 0.000 0.338 356 Y C -0.190 175.615 175.900 -0.159 0.000 1.123 356 Y CA -0.878 57.178 58.100 -0.073 0.000 1.046 356 Y CB 2.229 40.516 38.460 -0.289 0.000 1.299 356 Y HN 0.594 nan 8.280 nan 0.000 0.464 357 K N 1.558 121.817 120.400 -0.236 0.000 2.482 357 K HA 0.591 4.917 4.320 0.011 0.000 0.251 357 K C -2.015 174.332 176.600 -0.421 0.000 0.936 357 K CA -0.602 55.542 56.287 -0.238 0.000 0.791 357 K CB 2.071 34.383 32.500 -0.313 0.000 1.213 357 K HN 0.416 nan 8.250 nan 0.000 0.428 358 F N 1.900 121.898 119.950 0.081 0.000 2.508 358 F HA 0.506 5.039 4.527 0.011 0.000 0.325 358 F C 0.137 175.989 175.800 0.087 0.000 1.090 358 F CA -0.805 57.251 58.000 0.093 0.000 0.945 358 F CB 1.570 40.640 39.000 0.116 0.000 1.156 358 F HN 0.031 nan 8.300 nan 0.000 0.463 359 K N 1.550 122.091 120.400 0.234 0.000 2.469 359 K HA 0.727 5.053 4.320 0.011 0.000 0.254 359 K C -1.176 175.517 176.600 0.154 0.000 0.939 359 K CA -0.779 55.609 56.287 0.169 0.000 0.812 359 K CB 2.173 34.736 32.500 0.105 0.000 1.301 359 K HN 0.703 nan 8.250 nan 0.000 0.433 360 S N 1.598 117.375 115.700 0.128 0.000 2.537 360 S HA 0.693 5.170 4.470 0.011 0.000 0.271 360 S C -0.986 173.642 174.600 0.046 0.000 1.148 360 S CA -0.921 57.330 58.200 0.085 0.000 0.868 360 S CB 1.294 64.541 63.200 0.078 0.000 1.115 360 S HN 0.359 nan 8.310 nan 0.000 0.461 361 I N 2.019 122.594 120.570 0.007 0.000 2.569 361 I HA 0.559 4.735 4.170 0.011 0.000 0.290 361 I C -0.818 175.243 176.117 -0.093 0.000 1.088 361 I CA -0.280 60.975 61.300 -0.075 0.000 1.047 361 I CB 1.963 39.957 38.000 -0.009 0.000 1.237 361 I HN 0.923 nan 8.210 nan 0.000 0.421 362 Q N 5.701 125.383 119.800 -0.195 0.000 2.323 362 Q HA 0.551 4.898 4.340 0.011 0.000 0.271 362 Q C -1.544 174.393 176.000 -0.104 0.000 1.048 362 Q CA -0.521 55.221 55.803 -0.102 0.000 0.792 362 Q CB 2.148 30.850 28.738 -0.060 0.000 1.280 362 Q HN 0.546 nan 8.270 nan 0.000 0.441 363 R N 2.288 122.814 120.500 0.043 0.000 2.451 363 R HA 0.715 5.062 4.340 0.011 0.000 0.307 363 R C -1.116 175.293 176.300 0.182 0.000 0.965 363 R CA -0.609 55.600 56.100 0.182 0.000 0.865 363 R CB 2.140 32.616 30.300 0.294 0.000 1.174 363 R HN 0.614 nan 8.270 nan 0.000 0.455 364 S N 2.568 118.383 115.700 0.191 0.000 2.536 364 S HA 0.622 5.098 4.470 0.011 0.000 0.287 364 S C -1.525 173.204 174.600 0.214 0.000 1.101 364 S CA -0.686 57.621 58.200 0.178 0.000 0.950 364 S CB 1.906 65.172 63.200 0.110 0.000 1.056 364 S HN 0.359 nan 8.310 nan 0.000 0.481 365 L N 2.659 124.022 121.223 0.234 0.000 2.464 365 L HA 0.699 5.046 4.340 0.011 0.000 0.266 365 L C -1.998 174.980 176.870 0.181 0.000 0.965 365 L CA -0.193 54.767 54.840 0.201 0.000 0.833 365 L CB 2.120 44.297 42.059 0.197 0.000 1.296 365 L HN 0.567 nan 8.230 nan 0.000 0.405 366 D N 3.443 123.934 120.400 0.151 0.000 2.732 366 D HA 0.877 5.523 4.640 0.011 0.000 0.229 366 D C -1.251 175.126 176.300 0.129 0.000 1.152 366 D CA -0.134 53.957 54.000 0.152 0.000 0.854 366 D CB 2.260 43.149 40.800 0.149 0.000 1.590 366 D HN 0.766 nan 8.370 nan 0.000 0.468 367 A N 1.961 124.852 122.820 0.118 0.000 2.488 367 A HA 0.742 5.069 4.320 0.011 0.000 0.298 367 A C -1.247 176.375 177.584 0.062 0.000 1.044 367 A CA -0.820 51.267 52.037 0.084 0.000 0.693 367 A CB 1.303 20.338 19.000 0.058 0.000 1.272 367 A HN 0.628 nan 8.150 nan 0.000 0.402 368 N N 1.060 119.802 118.700 0.070 0.000 2.708 368 N HA 0.684 5.430 4.740 0.011 0.000 0.257 368 N C -1.974 173.587 175.510 0.085 0.000 1.373 368 N CA -0.614 52.468 53.050 0.052 0.000 0.843 368 N CB 1.525 40.079 38.487 0.112 0.000 1.503 368 N HN 0.433 nan 8.380 nan 0.000 0.504 369 L N 0.951 122.241 121.223 0.112 0.000 2.401 369 L HA 0.556 4.902 4.340 0.011 0.000 0.266 369 L C -0.747 176.223 176.870 0.167 0.000 0.991 369 L CA -0.670 54.299 54.840 0.215 0.000 0.818 369 L CB 1.930 44.187 42.059 0.330 0.000 1.321 369 L HN 0.762 nan 8.230 nan 0.000 0.413 370 N N 1.418 120.098 118.700 -0.034 0.000 2.591 370 N HA 0.844 5.590 4.740 0.011 0.000 0.263 370 N C -0.937 173.830 175.510 -1.239 0.000 1.308 370 N CA -0.497 52.254 53.050 -0.498 0.000 0.837 370 N CB 2.882 41.221 38.487 -0.246 0.000 1.548 370 N HN 0.720 nan 8.380 nan 0.000 0.493 371 G N -0.230 107.539 108.800 -1.719 0.000 2.316 371 G HA2 0.361 4.327 3.960 0.011 0.000 0.296 371 G HA3 0.361 4.327 3.960 0.011 0.000 0.296 371 G C -3.555 170.735 174.900 -1.018 0.000 1.399 371 G CA -0.745 43.248 45.100 -1.845 0.000 0.833 371 G HN 0.521 nan 8.290 nan 0.000 0.565 372 P HA 0.608 nan 4.420 nan 0.000 0.278 372 P C -0.823 176.669 177.300 0.320 0.000 1.258 372 P CA -0.512 62.590 63.100 0.005 0.000 0.811 372 P CB 2.140 33.844 31.700 0.006 0.000 1.063 373 V N 2.077 122.156 119.914 0.275 0.000 2.567 373 V HA 0.326 4.452 4.120 0.011 0.000 0.298 373 V C 0.323 176.575 176.094 0.264 0.000 1.047 373 V CA -0.694 61.787 62.300 0.301 0.000 0.880 373 V CB 1.746 33.761 31.823 0.319 0.000 1.009 373 V HN 0.532 nan 8.190 nan 0.000 0.429 374 R N 3.995 124.607 120.500 0.186 0.000 2.216 374 R HA 0.684 5.031 4.340 0.011 0.000 0.332 374 R C -1.587 174.808 176.300 0.158 0.000 1.056 374 R CA -0.373 55.814 56.100 0.145 0.000 0.901 374 R CB 0.785 31.133 30.300 0.081 0.000 1.039 374 R HN 0.538 nan 8.270 nan 0.000 0.456 375 L N 5.784 127.162 121.223 0.258 0.000 2.526 375 L HA 0.327 4.673 4.340 0.011 0.000 0.263 375 L C -0.947 176.106 176.870 0.305 0.000 0.943 375 L CA -0.136 54.793 54.840 0.148 0.000 0.859 375 L CB 1.331 43.438 42.059 0.081 0.000 1.313 375 L HN 0.781 nan 8.230 nan 0.000 0.406 376 F N 3.989 124.023 119.950 0.140 0.000 3.080 376 F HA -0.084 4.449 4.527 0.010 0.000 0.292 376 F C 1.501 177.359 175.800 0.096 0.000 0.891 376 F CA 1.444 59.510 58.000 0.110 0.000 1.086 376 F CB -1.740 37.332 39.000 0.120 0.000 1.095 376 F HN 0.890 nan 8.300 nan 0.000 0.633 377 G N -0.583 108.325 108.800 0.181 0.000 2.168 377 G HA2 -0.296 3.671 3.960 0.011 0.000 0.263 377 G HA3 -0.296 3.671 3.960 0.011 0.000 0.263 377 G C 0.033 174.985 174.900 0.088 0.000 0.977 377 G CA 0.391 45.561 45.100 0.117 0.000 0.659 377 G HN 0.579 nan 8.290 nan 0.000 0.533 378 L N -0.044 121.235 121.223 0.094 0.000 2.370 378 L HA 0.613 4.959 4.340 0.011 0.000 0.266 378 L C 0.137 176.834 176.870 -0.288 0.000 1.002 378 L CA -0.985 53.814 54.840 -0.068 0.000 0.818 378 L CB 2.340 44.365 42.059 -0.057 0.000 1.325 378 L HN 0.035 nan 8.230 nan 0.000 0.418 379 T N 1.027 115.399 114.554 -0.302 0.000 2.771 379 T HA 0.394 4.751 4.350 0.011 0.000 0.291 379 T C -0.512 173.928 174.700 -0.434 0.000 0.954 379 T CA -0.415 61.528 62.100 -0.262 0.000 1.045 379 T CB 0.088 68.900 68.868 -0.094 0.000 0.917 379 T HN 0.317 nan 8.240 nan 0.000 0.484 380 H N 1.877 120.996 119.070 0.082 0.000 2.573 380 H HA 0.449 5.011 4.556 0.011 0.000 0.351 380 H C -0.298 175.066 175.328 0.059 0.000 1.163 380 H CA -0.825 55.272 56.048 0.082 0.000 1.205 380 H CB 1.593 31.421 29.762 0.110 0.000 1.605 380 H HN 0.484 nan 8.280 nan 0.000 0.525 381 E N 2.511 122.793 120.200 0.138 0.000 2.158 381 E HA 0.379 4.735 4.350 0.011 0.000 0.271 381 E C -0.329 176.305 176.600 0.057 0.000 0.911 381 E CA -0.616 55.805 56.400 0.036 0.000 0.767 381 E CB 2.422 32.113 29.700 -0.015 0.000 1.120 381 E HN 0.397 nan 8.360 nan 0.000 0.405 382 L N 2.779 124.006 121.223 0.007 0.000 2.342 382 L HA 0.605 4.951 4.340 0.011 0.000 0.271 382 L C -0.593 176.274 176.870 -0.004 0.000 1.008 382 L CA -1.231 53.660 54.840 0.084 0.000 0.818 382 L CB 1.580 43.810 42.059 0.285 0.000 1.296 382 L HN 0.285 nan 8.230 nan 0.000 0.427 383 L N 1.341 122.616 121.223 0.087 0.000 2.464 383 L HA 0.911 5.258 4.340 0.011 0.000 0.266 383 L C -0.727 176.222 176.870 0.131 0.000 0.965 383 L CA 0.159 55.052 54.840 0.090 0.000 0.833 383 L CB 2.210 44.329 42.059 0.100 0.000 1.296 383 L HN 0.579 nan 8.230 nan 0.000 0.405 384 G N 1.952 110.801 108.800 0.083 0.000 2.701 384 G HA2 0.745 4.712 3.960 0.011 0.000 0.300 384 G HA3 0.745 4.712 3.960 0.011 0.000 0.300 384 G C -1.144 173.589 174.900 -0.278 0.000 1.410 384 G CA -0.182 44.883 45.100 -0.058 0.000 1.014 384 G HN 1.003 nan 8.290 nan 0.000 0.509 385 G N -1.126 107.195 108.800 -0.799 0.000 2.649 385 G HA2 0.853 4.819 3.960 0.011 0.000 0.290 385 G HA3 0.853 4.819 3.960 0.011 0.000 0.290 385 G C -1.159 173.341 174.900 -0.667 0.000 1.426 385 G CA 0.067 44.681 45.100 -0.810 0.000 0.794 385 G HN 1.755 nan 8.290 nan 0.000 0.483 386 V N -2.035 117.747 119.914 -0.219 0.000 2.876 386 V HA 0.967 5.094 4.120 0.011 0.000 0.312 386 V C -0.269 175.916 176.094 0.152 0.000 1.085 386 V CA -0.280 62.023 62.300 0.005 0.000 0.945 386 V CB 1.380 33.215 31.823 0.020 0.000 1.017 386 V HN 1.485 nan 8.190 nan 0.000 0.428 387 T N 1.041 115.729 114.554 0.223 0.000 2.893 387 T HA 0.752 5.108 4.350 0.011 0.000 0.293 387 T C -1.338 173.506 174.700 0.241 0.000 1.027 387 T CA -0.550 61.687 62.100 0.228 0.000 0.988 387 T CB 1.872 70.871 68.868 0.218 0.000 1.043 387 T HN 1.453 nan 8.240 nan 0.000 0.461 388 Y N 1.326 121.679 120.300 0.089 0.000 2.421 388 Y HA 0.693 5.249 4.550 0.010 0.000 0.339 388 Y C -1.360 174.580 175.900 0.067 0.000 0.996 388 Y CA -0.699 57.445 58.100 0.073 0.000 1.046 388 Y CB 1.556 40.045 38.460 0.050 0.000 1.226 388 Y HN 1.230 nan 8.280 nan 0.000 0.445 389 A N 5.692 128.131 122.820 -0.636 0.000 2.488 389 A HA 0.675 5.001 4.320 0.011 0.000 0.298 389 A C -1.826 175.427 177.584 -0.551 0.000 1.044 389 A CA -0.693 51.103 52.037 -0.401 0.000 0.693 389 A CB 2.024 20.937 19.000 -0.144 0.000 1.272 389 A HN 0.724 nan 8.150 nan 0.000 0.402 390 Q N 1.167 120.796 119.800 -0.285 0.000 2.271 390 Q HA 0.575 4.921 4.340 0.011 0.000 0.268 390 Q C -0.581 175.389 176.000 -0.050 0.000 1.021 390 Q CA -0.439 55.260 55.803 -0.173 0.000 0.802 390 Q CB 2.140 30.838 28.738 -0.066 0.000 1.282 390 Q HN 1.208 nan 8.270 nan 0.000 0.431 391 G N 2.554 111.323 108.800 -0.052 0.000 2.524 391 G HA2 0.635 4.601 3.960 0.011 0.000 0.310 391 G HA3 0.635 4.601 3.960 0.011 0.000 0.310 391 G C -1.325 173.572 174.900 -0.005 0.000 1.279 391 G CA -0.433 44.657 45.100 -0.017 0.000 0.974 391 G HN 0.582 nan 8.290 nan 0.000 0.484 392 E N 0.147 120.357 120.200 0.016 0.000 2.256 392 E HA 0.567 4.924 4.350 0.011 0.000 0.268 392 E C -0.704 175.926 176.600 0.050 0.000 0.877 392 E CA -0.847 55.572 56.400 0.031 0.000 0.757 392 E CB 2.463 32.188 29.700 0.041 0.000 1.183 392 E HN 0.601 nan 8.360 nan 0.000 0.418 393 T N 0.424 115.016 114.554 0.064 0.000 2.900 393 T HA 0.699 5.055 4.350 0.011 0.000 0.295 393 T C -0.539 174.221 174.700 0.100 0.000 1.044 393 T CA -1.031 61.125 62.100 0.093 0.000 0.995 393 T CB 2.099 71.029 68.868 0.103 0.000 1.072 393 T HN 0.450 nan 8.240 nan 0.000 0.473 394 R N 1.144 121.718 120.500 0.122 0.000 2.604 394 R HA 0.411 4.757 4.340 0.011 0.000 0.270 394 R C -1.806 174.551 176.300 0.094 0.000 1.052 394 R CA -0.561 55.596 56.100 0.096 0.000 0.902 394 R CB 2.214 32.550 30.300 0.061 0.000 1.233 394 R HN 0.871 nan 8.270 nan 0.000 0.455 395 Q N 3.329 123.162 119.800 0.055 0.000 2.333 395 Q HA 0.275 4.622 4.340 0.011 0.000 0.268 395 Q C -1.446 174.508 176.000 -0.077 0.000 1.007 395 Q CA -0.726 55.034 55.803 -0.072 0.000 0.810 395 Q CB 1.658 30.415 28.738 0.032 0.000 1.264 395 Q HN 0.506 nan 8.270 nan 0.000 0.452 396 D N 3.167 123.476 120.400 -0.151 0.000 2.256 396 D HA 0.351 4.997 4.640 0.011 0.000 0.240 396 D C -0.953 175.379 176.300 0.052 0.000 1.062 396 D CA -0.065 53.919 54.000 -0.027 0.000 0.832 396 D CB 2.035 42.791 40.800 -0.072 0.000 1.135 396 D HN 0.415 nan 8.370 nan 0.000 0.484 397 T N 0.848 115.436 114.554 0.058 0.000 2.841 397 T HA 0.743 5.099 4.350 0.011 0.000 0.283 397 T C -0.561 173.956 174.700 -0.304 0.000 1.000 397 T CA -0.676 61.336 62.100 -0.147 0.000 0.977 397 T CB 1.838 70.627 68.868 -0.132 0.000 0.979 397 T HN 0.412 nan 8.240 nan 0.000 0.446 398 A N 3.042 125.480 122.820 -0.636 0.000 2.475 398 A HA 0.840 5.166 4.320 0.011 0.000 0.301 398 A C -0.271 176.896 177.584 -0.695 0.000 1.059 398 A CA -1.166 50.415 52.037 -0.759 0.000 0.710 398 A CB 1.389 19.561 19.000 -1.380 0.000 1.288 398 A HN 0.931 nan 8.150 nan 0.000 0.408 399 R N 0.149 120.339 120.500 -0.517 0.000 2.691 399 R HA 0.771 5.118 4.340 0.011 0.000 0.259 399 R C -1.381 174.670 176.300 -0.416 0.000 1.048 399 R CA -0.548 55.255 56.100 -0.496 0.000 1.086 399 R CB 0.488 30.614 30.300 -0.291 0.000 1.166 399 R HN 0.335 nan 8.270 nan 0.000 0.526 400 F N 1.044 120.886 119.950 -0.179 0.000 2.412 400 F HA 0.223 4.756 4.527 0.010 0.000 0.348 400 F C 1.300 177.022 175.800 -0.129 0.000 1.102 400 F CA -0.929 56.980 58.000 -0.152 0.000 1.196 400 F CB 0.785 39.717 39.000 -0.113 0.000 1.144 400 F HN 0.408 nan 8.300 nan 0.000 0.541 401 L N 2.162 123.434 121.223 0.082 0.000 2.418 401 L HA -0.011 4.335 4.340 0.011 0.000 0.218 401 L C 0.502 177.377 176.870 0.008 0.000 1.125 401 L CA 0.604 55.449 54.840 0.009 0.000 0.835 401 L CB -0.316 41.731 42.059 -0.020 0.000 0.953 401 L HN 0.665 nan 8.230 nan 0.000 0.454 402 N N -0.587 118.121 118.700 0.014 0.000 2.605 402 N HA 0.084 4.830 4.740 0.011 0.000 0.265 402 N C -0.867 174.621 175.510 -0.037 0.000 1.625 402 N CA -0.407 52.633 53.050 -0.016 0.000 0.862 402 N CB -0.290 38.171 38.487 -0.043 0.000 1.415 402 N HN -0.042 nan 8.380 nan 0.000 0.513 403 L N 1.531 122.759 121.223 0.009 0.000 2.453 403 L HA 0.446 4.792 4.340 0.011 0.000 0.272 403 L C -2.096 174.784 176.870 0.017 0.000 1.182 403 L CA -0.663 54.167 54.840 -0.017 0.000 0.858 403 L CB 0.025 42.141 42.059 0.096 0.000 1.120 403 L HN 0.138 nan 8.230 nan 0.000 0.474 404 P HA 0.043 nan 4.420 nan 0.000 0.265 404 P C -1.035 176.304 177.300 0.065 0.000 1.193 404 P CA 0.033 63.167 63.100 0.056 0.000 0.765 404 P CB 0.297 32.055 31.700 0.096 0.000 0.823 405 N N 2.461 121.191 118.700 0.049 0.000 2.605 405 N HA 0.080 4.826 4.740 0.011 0.000 0.258 405 N C -1.045 174.499 175.510 0.056 0.000 1.156 405 N CA 0.232 53.306 53.050 0.041 0.000 1.008 405 N CB -0.491 38.012 38.487 0.027 0.000 1.354 405 N HN 0.168 nan 8.380 nan 0.000 0.509 406 T N 4.927 119.522 114.554 0.070 0.000 2.809 406 T HA 0.413 4.770 4.350 0.011 0.000 0.284 406 T C -2.609 172.124 174.700 0.054 0.000 0.992 406 T CA -1.200 60.961 62.100 0.100 0.000 0.957 406 T CB 2.141 71.130 68.868 0.201 0.000 0.942 406 T HN 0.349 nan 8.240 nan 0.000 0.439 407 P HA 0.399 nan 4.420 nan 0.000 0.277 407 P C -1.000 176.300 177.300 0.001 0.000 1.240 407 P CA -0.470 62.635 63.100 0.009 0.000 0.798 407 P CB 1.014 32.730 31.700 0.027 0.000 0.979 408 V N 3.233 123.085 119.914 -0.105 0.000 2.444 408 V HA 0.305 4.431 4.120 0.011 0.000 0.294 408 V C 0.334 176.376 176.094 -0.087 0.000 1.022 408 V CA -0.624 61.567 62.300 -0.182 0.000 0.850 408 V CB 1.286 32.769 31.823 -0.566 0.000 0.992 408 V HN 0.614 nan 8.190 nan 0.000 0.426 409 N N 3.669 122.400 118.700 0.051 0.000 2.437 409 N HA 0.160 4.906 4.740 0.011 0.000 0.259 409 N C 0.910 176.449 175.510 0.048 0.000 0.983 409 N CA -0.313 52.765 53.050 0.047 0.000 0.937 409 N CB 2.227 40.788 38.487 0.123 0.000 1.122 409 N HN 0.559 nan 8.380 nan 0.000 0.499 410 V N 3.031 122.879 119.914 -0.111 0.000 3.026 410 V HA -0.099 4.028 4.120 0.011 0.000 0.265 410 V C 0.910 176.951 176.094 -0.089 0.000 1.121 410 V CA 1.114 63.322 62.300 -0.155 0.000 1.142 410 V CB -1.216 30.424 31.823 -0.305 0.000 0.730 410 V HN 0.545 nan 8.190 nan 0.000 0.503 411 Y N 2.054 122.413 120.300 0.099 0.000 2.476 411 Y HA 0.275 4.832 4.550 0.010 0.000 0.283 411 Y C 2.354 178.324 175.900 0.118 0.000 1.109 411 Y CA 0.894 59.053 58.100 0.098 0.000 1.246 411 Y CB 0.065 38.569 38.460 0.073 0.000 1.068 411 Y HN 0.415 nan 8.280 nan 0.000 0.552 412 R N -1.151 119.517 120.500 0.281 0.000 2.659 412 R HA 0.081 4.427 4.340 0.011 0.000 0.418 412 R C -0.205 176.235 176.300 0.234 0.000 1.076 412 R CA -0.299 55.933 56.100 0.219 0.000 1.093 412 R CB -0.676 29.729 30.300 0.174 0.000 1.400 412 R HN 0.183 nan 8.270 nan 0.000 0.583 413 W N 2.850 124.183 121.300 0.055 0.000 2.210 413 W HA 0.133 4.800 4.660 0.010 0.000 0.330 413 W C -1.148 175.399 176.519 0.047 0.000 1.334 413 W CA 0.320 57.684 57.345 0.032 0.000 1.227 413 W CB 0.921 30.379 29.460 -0.002 0.000 1.178 413 W HN 0.077 nan 8.180 nan 0.000 0.560 414 D N 7.327 127.161 120.400 -0.943 0.000 2.460 414 D HA 0.259 4.905 4.640 0.011 0.000 0.232 414 D C -1.735 173.845 176.300 -1.200 0.000 1.079 414 D CA -2.501 51.034 54.000 -0.775 0.000 0.864 414 D CB 1.733 42.287 40.800 -0.410 0.000 1.048 414 D HN 0.058 nan 8.370 nan 0.000 0.523 415 P HA -0.082 nan 4.420 nan 0.000 0.223 415 P C -0.032 176.957 177.300 -0.518 0.000 1.144 415 P CA 0.921 63.719 63.100 -0.503 0.000 0.783 415 P CB 0.100 31.680 31.700 -0.200 0.000 0.771 416 H N -1.995 116.949 119.070 -0.210 0.000 2.508 416 H HA 0.390 4.953 4.556 0.010 0.000 0.344 416 H C 1.664 176.926 175.328 -0.109 0.000 1.192 416 H CA 0.208 56.196 56.048 -0.101 0.000 1.290 416 H CB 0.646 30.368 29.762 -0.066 0.000 1.571 416 H HN 0.069 nan 8.280 nan 0.000 0.555 417 G N 0.703 109.573 108.800 0.117 0.000 2.189 417 G HA2 -0.291 3.675 3.960 0.011 0.000 0.267 417 G HA3 -0.291 3.675 3.960 0.011 0.000 0.267 417 G C 0.204 175.143 174.900 0.065 0.000 0.975 417 G CA 0.451 45.591 45.100 0.066 0.000 0.644 417 G HN 0.466 nan 8.290 nan 0.000 0.537 418 V N 2.372 122.346 119.914 0.100 0.000 2.455 418 V HA 0.341 4.468 4.120 0.011 0.000 0.273 418 V C -1.291 174.995 176.094 0.320 0.000 1.045 418 V CA -1.197 61.216 62.300 0.187 0.000 0.976 418 V CB 1.205 33.165 31.823 0.228 0.000 0.993 418 V HN 0.127 nan 8.190 nan 0.000 0.475 419 P HA 0.045 nan 4.420 nan 0.000 0.262 419 P C -0.228 177.006 177.300 -0.110 0.000 1.182 419 P CA 0.033 63.157 63.100 0.040 0.000 0.761 419 P CB 0.264 31.963 31.700 -0.002 0.000 0.795 420 R N 5.948 126.212 120.500 -0.392 0.000 2.296 420 R HA 0.211 4.557 4.340 0.011 0.000 0.323 420 R C -1.844 174.009 176.300 -0.744 0.000 1.067 420 R CA -1.486 53.984 56.100 -1.049 0.000 0.946 420 R CB 0.069 29.788 30.300 -0.967 0.000 0.991 420 R HN 0.389 nan 8.270 nan 0.000 0.448 421 P HA 0.005 nan 4.420 nan 0.000 0.274 421 P C -1.341 175.731 177.300 -0.381 0.000 1.246 421 P CA -0.394 62.376 63.100 -0.550 0.000 0.795 421 P CB 0.853 32.156 31.700 -0.661 0.000 1.006 422 Q N 0.767 120.461 119.800 -0.177 0.000 2.235 422 Q HA 0.406 4.752 4.340 0.011 0.000 0.250 422 Q C -0.698 175.314 176.000 0.020 0.000 0.909 422 Q CA -0.635 55.118 55.803 -0.083 0.000 0.910 422 Q CB 0.571 29.268 28.738 -0.068 0.000 1.223 422 Q HN 0.370 nan 8.270 nan 0.000 0.432 423 I N 3.025 123.612 120.570 0.028 0.000 2.385 423 I HA 0.338 4.514 4.170 0.011 0.000 0.294 423 I C 0.859 176.907 176.117 -0.115 0.000 0.988 423 I CA -0.473 60.824 61.300 -0.005 0.000 1.265 423 I CB 1.493 39.478 38.000 -0.025 0.000 1.388 423 I HN 0.813 nan 8.210 nan 0.000 0.480 424 G N 4.533 113.215 108.800 -0.197 0.000 2.504 424 G HA2 0.216 4.183 3.960 0.011 0.000 0.257 424 G HA3 0.216 4.183 3.960 0.011 0.000 0.257 424 G C -0.302 174.441 174.900 -0.261 0.000 1.451 424 G CA -0.406 44.583 45.100 -0.186 0.000 1.059 424 G HN 0.479 nan 8.290 nan 0.000 0.550 425 Q N -0.555 119.131 119.800 -0.190 0.000 2.352 425 Q HA 0.198 4.544 4.340 0.011 0.000 0.260 425 Q C -1.183 174.683 176.000 -0.223 0.000 0.976 425 Q CA 0.151 55.873 55.803 -0.136 0.000 0.881 425 Q CB 1.113 29.816 28.738 -0.058 0.000 1.235 425 Q HN 0.456 nan 8.270 nan 0.000 0.419 426 Y N 0.650 120.901 120.300 -0.082 0.000 2.304 426 Y HA 0.259 4.815 4.550 0.011 0.000 0.328 426 Y C 0.971 176.825 175.900 -0.076 0.000 1.123 426 Y CA -0.064 57.976 58.100 -0.100 0.000 1.218 426 Y CB 1.232 39.637 38.460 -0.092 0.000 1.207 426 Y HN 0.516 nan 8.280 nan 0.000 0.495 427 T N -1.138 113.452 114.554 0.060 0.000 2.887 427 T HA 0.783 5.140 4.350 0.011 0.000 0.292 427 T C -0.701 174.019 174.700 0.032 0.000 1.087 427 T CA -1.011 61.107 62.100 0.030 0.000 1.009 427 T CB 1.898 70.761 68.868 -0.008 0.000 1.203 427 T HN 0.536 nan 8.240 nan 0.000 0.518 428 S N 0.382 116.098 115.700 0.026 0.000 2.542 428 S HA 0.548 5.025 4.470 0.011 0.000 0.276 428 S C -2.214 172.404 174.600 0.030 0.000 1.148 428 S CA -1.010 57.208 58.200 0.029 0.000 0.886 428 S CB 1.612 64.827 63.200 0.026 0.000 1.109 428 S HN 0.739 nan 8.310 nan 0.000 0.458 429 P HA 0.318 nan 4.420 nan 0.000 0.236 429 P C 0.777 178.100 177.300 0.038 0.000 1.177 429 P CA 0.918 64.041 63.100 0.039 0.000 0.773 429 P CB -0.289 31.440 31.700 0.049 0.000 0.878 430 G N -0.897 107.928 108.800 0.040 0.000 2.371 430 G HA2 -0.047 3.919 3.960 0.011 0.000 0.663 430 G HA3 -0.047 3.919 3.960 0.011 0.000 0.663 430 G C -0.958 173.971 174.900 0.048 0.000 1.311 430 G CA -0.785 44.338 45.100 0.039 0.000 0.985 430 G HN 0.059 nan 8.290 nan 0.000 0.566 431 T N 0.994 115.575 114.554 0.045 0.000 2.910 431 T HA 0.608 4.964 4.350 0.011 0.000 0.293 431 T C 0.324 175.055 174.700 0.052 0.000 1.015 431 T CA 0.422 62.552 62.100 0.050 0.000 1.094 431 T CB 1.259 70.153 68.868 0.043 0.000 0.968 431 T HN 0.685 nan 8.240 nan 0.000 0.521 432 T N 3.175 117.764 114.554 0.058 0.000 2.779 432 T HA 0.477 4.833 4.350 0.011 0.000 0.280 432 T C -0.154 174.563 174.700 0.029 0.000 0.987 432 T CA -0.538 61.596 62.100 0.056 0.000 0.966 432 T CB 0.933 69.849 68.868 0.079 0.000 0.933 432 T HN 0.531 nan 8.240 nan 0.000 0.442 433 T N 3.447 118.001 114.554 0.001 0.000 2.786 433 T HA 0.519 4.875 4.350 0.011 0.000 0.283 433 T C -0.147 174.488 174.700 -0.108 0.000 0.992 433 T CA -0.605 61.476 62.100 -0.032 0.000 0.954 433 T CB 1.170 70.026 68.868 -0.020 0.000 0.934 433 T HN 0.471 nan 8.240 nan 0.000 0.440 434 T N 3.230 117.697 114.554 -0.146 0.000 2.792 434 T HA 0.592 4.948 4.350 0.011 0.000 0.280 434 T C -0.216 174.303 174.700 -0.302 0.000 0.990 434 T CA -0.608 61.308 62.100 -0.306 0.000 0.960 434 T CB 1.309 70.040 68.868 -0.229 0.000 0.939 434 T HN 0.499 nan 8.240 nan 0.000 0.439 435 T N 3.461 117.770 114.554 -0.408 0.000 2.848 435 T HA 0.546 4.903 4.350 0.011 0.000 0.285 435 T C -0.815 173.714 174.700 -0.284 0.000 0.995 435 T CA -0.723 61.188 62.100 -0.315 0.000 0.970 435 T CB 1.810 70.561 68.868 -0.195 0.000 0.976 435 T HN 0.583 nan 8.240 nan 0.000 0.441 436 Q N 2.294 121.961 119.800 -0.223 0.000 2.347 436 Q HA 0.559 4.906 4.340 0.011 0.000 0.271 436 Q C -1.496 174.507 176.000 0.006 0.000 1.064 436 Q CA -0.822 54.983 55.803 0.002 0.000 0.800 436 Q CB 1.420 30.236 28.738 0.129 0.000 1.304 436 Q HN 0.477 nan 8.270 nan 0.000 0.438 437 K N 1.180 121.708 120.400 0.213 0.000 2.318 437 K HA 0.815 5.142 4.320 0.011 0.000 0.249 437 K C -0.979 175.891 176.600 0.451 0.000 0.942 437 K CA -0.832 55.622 56.287 0.278 0.000 0.808 437 K CB 2.233 34.864 32.500 0.218 0.000 1.189 437 K HN 0.715 nan 8.250 nan 0.000 0.428 438 G N 1.176 110.210 108.800 0.390 0.000 2.706 438 G HA2 0.620 4.586 3.960 0.011 0.000 0.297 438 G HA3 0.620 4.586 3.960 0.011 0.000 0.297 438 G C -2.188 172.961 174.900 0.414 0.000 1.403 438 G CA -0.498 44.859 45.100 0.427 0.000 0.954 438 G HN 0.342 nan 8.290 nan 0.000 0.500 439 L N 1.781 123.266 121.223 0.437 0.000 2.406 439 L HA 0.805 5.152 4.340 0.011 0.000 0.272 439 L C -1.278 175.756 176.870 0.274 0.000 0.980 439 L CA -1.160 53.853 54.840 0.290 0.000 0.831 439 L CB 1.276 43.554 42.059 0.365 0.000 1.253 439 L HN 0.711 nan 8.230 nan 0.000 0.406 440 Y N 3.123 123.504 120.300 0.134 0.000 2.609 440 Y HA 1.002 5.558 4.550 0.010 0.000 0.342 440 Y C -0.961 174.997 175.900 0.098 0.000 1.058 440 Y CA -0.922 57.237 58.100 0.099 0.000 1.055 440 Y CB 1.578 40.063 38.460 0.042 0.000 1.292 440 Y HN 0.801 nan 8.280 nan 0.000 0.476 441 A N 2.101 125.085 122.820 0.273 0.000 2.574 441 A HA 0.771 5.098 4.320 0.011 0.000 0.297 441 A C -2.510 175.202 177.584 0.213 0.000 1.062 441 A CA -0.600 51.553 52.037 0.193 0.000 0.686 441 A CB 1.827 20.912 19.000 0.142 0.000 1.285 441 A HN 1.236 nan 8.150 nan 0.000 0.403 442 L N 0.884 122.216 121.223 0.181 0.000 2.505 442 L HA 0.878 5.224 4.340 0.011 0.000 0.259 442 L C -0.226 176.725 176.870 0.135 0.000 0.952 442 L CA 0.336 55.265 54.840 0.147 0.000 0.840 442 L CB 2.300 44.415 42.059 0.094 0.000 1.358 442 L HN 1.276 nan 8.230 nan 0.000 0.409 443 G N 2.687 111.571 108.800 0.140 0.000 2.617 443 G HA2 0.643 4.609 3.960 0.011 0.000 0.306 443 G HA3 0.643 4.609 3.960 0.011 0.000 0.306 443 G C -1.339 173.643 174.900 0.137 0.000 1.360 443 G CA -0.776 44.405 45.100 0.134 0.000 0.983 443 G HN 0.563 nan 8.290 nan 0.000 0.496 444 R N 2.172 122.750 120.500 0.131 0.000 2.332 444 R HA 0.278 4.624 4.340 0.011 0.000 0.306 444 R C -0.296 176.109 176.300 0.175 0.000 1.117 444 R CA -0.625 55.552 56.100 0.130 0.000 1.108 444 R CB 1.014 31.369 30.300 0.091 0.000 1.126 444 R HN 0.292 nan 8.270 nan 0.000 0.548 445 I N 3.120 123.805 120.570 0.192 0.000 2.331 445 I HA 0.199 4.375 4.170 0.011 0.000 0.292 445 I C 0.245 176.529 176.117 0.279 0.000 0.998 445 I CA -0.973 60.505 61.300 0.297 0.000 1.267 445 I CB 1.099 39.197 38.000 0.163 0.000 1.386 445 I HN 0.199 nan 8.210 nan 0.000 0.476 446 K N 7.227 127.848 120.400 0.367 0.000 2.292 446 K HA 0.257 4.583 4.320 0.011 0.000 0.290 446 K C 0.999 177.724 176.600 0.207 0.000 1.083 446 K CA -0.134 56.260 56.287 0.179 0.000 0.918 446 K CB 0.916 33.427 32.500 0.018 0.000 1.089 446 K HN 0.566 nan 8.250 nan 0.000 0.473 447 L N 0.798 122.094 121.223 0.121 0.000 2.313 447 L HA 0.008 4.354 4.340 0.011 0.000 0.214 447 L C 0.811 177.707 176.870 0.043 0.000 1.119 447 L CA 0.497 55.374 54.840 0.062 0.000 0.809 447 L CB 0.002 42.069 42.059 0.014 0.000 0.933 447 L HN 0.607 nan 8.230 nan 0.000 0.449 448 A N -1.335 121.522 122.820 0.062 0.000 2.586 448 A HA 0.287 4.613 4.320 0.011 0.000 0.291 448 A C 0.420 178.048 177.584 0.074 0.000 1.062 448 A CA -0.597 51.473 52.037 0.056 0.000 0.666 448 A CB 0.669 19.691 19.000 0.036 0.000 1.281 448 A HN 0.039 nan 8.150 nan 0.000 0.421 449 E N 0.399 120.642 120.200 0.072 0.000 2.114 449 E HA -0.164 4.192 4.350 0.011 0.000 0.199 449 E C -0.886 175.773 176.600 0.099 0.000 1.008 449 E CA 2.010 58.453 56.400 0.071 0.000 0.810 449 E CB -0.360 29.379 29.700 0.066 0.000 0.739 449 E HN 0.543 nan 8.360 nan 0.000 0.456 450 P HA 0.121 nan 4.420 nan 0.000 0.266 450 P C -0.625 176.846 177.300 0.285 0.000 1.381 450 P CA 0.151 63.383 63.100 0.220 0.000 0.940 450 P CB 0.303 32.182 31.700 0.299 0.000 1.435 451 L N 0.286 121.619 121.223 0.183 0.000 2.404 451 L HA 0.515 4.861 4.340 0.011 0.000 0.272 451 L C -0.952 175.989 176.870 0.118 0.000 0.980 451 L CA -0.117 54.816 54.840 0.154 0.000 0.836 451 L CB 2.063 44.154 42.059 0.054 0.000 1.238 451 L HN -0.307 nan 8.230 nan 0.000 0.408 452 T N 5.464 120.095 114.554 0.129 0.000 2.807 452 T HA 0.555 4.911 4.350 0.011 0.000 0.279 452 T C -0.920 173.840 174.700 0.099 0.000 0.993 452 T CA -0.301 61.868 62.100 0.115 0.000 0.970 452 T CB 1.401 70.337 68.868 0.115 0.000 0.950 452 T HN 0.474 nan 8.240 nan 0.000 0.441 453 L N 4.878 126.158 121.223 0.094 0.000 2.282 453 L HA 0.703 5.049 4.340 0.011 0.000 0.288 453 L C -1.000 175.930 176.870 0.102 0.000 1.033 453 L CA -0.410 54.475 54.840 0.076 0.000 0.807 453 L CB 0.981 43.074 42.059 0.057 0.000 1.209 453 L HN 0.428 nan 8.230 nan 0.000 0.423 454 V N 6.093 126.069 119.914 0.104 0.000 2.370 454 V HA 0.638 4.764 4.120 0.011 0.000 0.283 454 V C -0.429 175.768 176.094 0.172 0.000 1.023 454 V CA -0.560 61.835 62.300 0.158 0.000 0.857 454 V CB 1.506 33.456 31.823 0.212 0.000 0.985 454 V HN 0.632 nan 8.190 nan 0.000 0.443 455 V N 4.285 124.318 119.914 0.199 0.000 2.760 455 V HA 1.044 5.170 4.120 0.011 0.000 0.309 455 V C -0.014 176.226 176.094 0.243 0.000 1.077 455 V CA 0.556 62.980 62.300 0.208 0.000 0.910 455 V CB 1.933 33.841 31.823 0.142 0.000 1.008 455 V HN 1.082 nan 8.190 nan 0.000 0.424 456 G N 3.051 112.022 108.800 0.286 0.000 2.600 456 G HA2 0.809 4.775 3.960 0.011 0.000 0.293 456 G HA3 0.809 4.775 3.960 0.011 0.000 0.293 456 G C -0.629 174.411 174.900 0.232 0.000 1.408 456 G CA -0.144 45.097 45.100 0.235 0.000 0.782 456 G HN 1.499 nan 8.290 nan 0.000 0.482 457 G N -1.069 107.854 108.800 0.205 0.000 2.673 457 G HA2 0.688 4.654 3.960 0.011 0.000 0.292 457 G HA3 0.688 4.654 3.960 0.011 0.000 0.292 457 G C -1.609 173.380 174.900 0.149 0.000 1.450 457 G CA -0.706 44.484 45.100 0.150 0.000 0.837 457 G HN 0.668 nan 8.290 nan 0.000 0.505 458 R N 0.240 120.722 120.500 -0.029 0.000 2.621 458 R HA 0.595 4.942 4.340 0.011 0.000 0.284 458 R C -1.584 174.742 176.300 0.043 0.000 0.998 458 R CA -0.688 55.459 56.100 0.079 0.000 0.895 458 R CB 2.305 32.613 30.300 0.015 0.000 1.195 458 R HN 0.458 nan 8.270 nan 0.000 0.450 459 E N 1.621 121.889 120.200 0.114 0.000 2.151 459 E HA 0.369 4.725 4.350 0.011 0.000 0.275 459 E C -1.527 174.909 176.600 -0.274 0.000 0.936 459 E CA -0.333 56.002 56.400 -0.108 0.000 0.777 459 E CB 1.818 31.450 29.700 -0.113 0.000 1.108 459 E HN 0.526 nan 8.360 nan 0.000 0.401 460 S N 4.178 119.618 115.700 -0.433 0.000 2.500 460 S HA 0.537 5.014 4.470 0.011 0.000 0.301 460 S C -1.181 173.202 174.600 -0.361 0.000 1.092 460 S CA -0.836 57.236 58.200 -0.213 0.000 1.030 460 S CB 0.751 63.910 63.200 -0.070 0.000 1.031 460 S HN 0.419 nan 8.310 nan 0.000 0.483 461 W N 1.972 123.348 121.300 0.126 0.000 2.600 461 W HA 0.454 5.120 4.660 0.010 0.000 0.325 461 W C -1.156 175.496 176.519 0.222 0.000 1.034 461 W CA -0.914 56.518 57.345 0.146 0.000 1.226 461 W CB 1.620 31.146 29.460 0.111 0.000 1.379 461 W HN 0.736 nan 8.180 nan 0.000 0.466 462 W N 4.614 126.022 121.300 0.181 0.000 3.022 462 W HA 0.372 5.039 4.660 0.010 0.000 0.335 462 W C -1.469 175.118 176.519 0.114 0.000 1.133 462 W CA -0.451 56.959 57.345 0.109 0.000 1.219 462 W CB 1.530 31.018 29.460 0.046 0.000 1.409 462 W HN 0.424 nan 8.180 nan 0.000 0.507 463 D N 2.896 123.101 120.400 -0.324 0.000 2.736 463 D HA 0.377 5.024 4.640 0.011 0.000 0.223 463 D C -1.683 174.165 176.300 -0.754 0.000 1.231 463 D CA -0.742 53.072 54.000 -0.309 0.000 0.818 463 D CB 2.213 42.985 40.800 -0.045 0.000 1.587 463 D HN 0.404 nan 8.370 nan 0.000 0.463 464 Q N 0.971 120.485 119.800 -0.477 0.000 2.271 464 Q HA 0.327 4.673 4.340 0.011 0.000 0.268 464 Q C -1.769 174.233 176.000 0.004 0.000 1.021 464 Q CA -0.833 54.760 55.803 -0.349 0.000 0.802 464 Q CB 1.740 30.208 28.738 -0.449 0.000 1.282 464 Q HN 0.483 nan 8.270 nan 0.000 0.431 465 D N 3.428 123.817 120.400 -0.018 0.000 2.412 465 D HA 0.220 4.866 4.640 0.011 0.000 0.224 465 D C -0.294 176.042 176.300 0.061 0.000 1.093 465 D CA 0.149 54.162 54.000 0.022 0.000 0.850 465 D CB 1.521 42.317 40.800 -0.006 0.000 1.046 465 D HN 0.622 nan 8.370 nan 0.000 0.507 466 T N -0.674 113.944 114.554 0.107 0.000 2.944 466 T HA 0.434 4.790 4.350 0.011 0.000 0.284 466 T C -1.823 172.917 174.700 0.066 0.000 1.010 466 T CA -1.939 60.235 62.100 0.123 0.000 1.025 466 T CB 2.007 71.010 68.868 0.223 0.000 1.079 466 T HN -0.138 nan 8.240 nan 0.000 0.516 467 P HA 0.007 nan 4.420 nan 0.000 0.218 467 P C 1.267 178.584 177.300 0.028 0.000 1.146 467 P CA 1.218 64.344 63.100 0.043 0.000 0.813 467 P CB -0.125 31.606 31.700 0.052 0.000 0.778 468 A N -2.283 120.558 122.820 0.036 0.000 1.956 468 A HA 0.159 4.485 4.320 0.011 0.000 0.212 468 A C 0.966 178.512 177.584 -0.063 0.000 1.188 468 A CA 1.154 53.197 52.037 0.011 0.000 0.675 468 A CB -0.257 18.773 19.000 0.049 0.000 0.845 468 A HN 0.151 nan 8.150 nan 0.000 0.455 469 T N -0.614 113.863 114.554 -0.128 0.000 2.900 469 T HA 0.476 4.833 4.350 0.011 0.000 0.303 469 T C -0.769 173.723 174.700 -0.346 0.000 1.142 469 T CA -0.657 61.233 62.100 -0.350 0.000 1.007 469 T CB 1.684 70.077 68.868 -0.791 0.000 1.156 469 T HN 0.209 nan 8.240 nan 0.000 0.490 470 R N 1.364 121.673 120.500 -0.319 0.000 2.346 470 R HA 0.359 4.705 4.340 0.011 0.000 0.309 470 R C -1.058 175.135 176.300 -0.178 0.000 1.119 470 R CA -0.445 55.557 56.100 -0.163 0.000 1.112 470 R CB 0.143 30.394 30.300 -0.082 0.000 1.132 470 R HN 0.420 nan 8.270 nan 0.000 0.538 471 F N 2.343 122.326 119.950 0.055 0.000 2.445 471 F HA 0.203 4.736 4.527 0.011 0.000 0.359 471 F C 0.939 176.807 175.800 0.113 0.000 1.101 471 F CA -0.027 58.045 58.000 0.119 0.000 1.177 471 F CB 0.951 40.082 39.000 0.219 0.000 1.110 471 F HN 0.109 nan 8.300 nan 0.000 0.522 472 K N 4.434 125.010 120.400 0.293 0.000 3.146 472 K HA 0.233 4.559 4.320 0.011 0.000 0.168 472 K C -2.432 174.311 176.600 0.238 0.000 1.075 472 K CA -1.357 55.067 56.287 0.229 0.000 0.843 472 K CB 0.517 33.100 32.500 0.139 0.000 1.002 472 K HN 0.367 nan 8.250 nan 0.000 0.597 473 P HA 0.028 nan 4.420 nan 0.000 0.270 473 P C 0.371 177.763 177.300 0.154 0.000 1.223 473 P CA -0.132 63.090 63.100 0.204 0.000 0.785 473 P CB 0.698 32.512 31.700 0.190 0.000 0.923 474 G N 1.286 110.136 108.800 0.083 0.000 2.594 474 G HA2 0.261 4.227 3.960 0.011 0.000 0.243 474 G HA3 0.261 4.227 3.960 0.011 0.000 0.243 474 G C 0.335 175.220 174.900 -0.025 0.000 1.229 474 G CA -0.757 44.373 45.100 0.049 0.000 0.843 474 G HN 0.779 nan 8.290 nan 0.000 0.578 475 R N -0.395 120.049 120.500 -0.093 0.000 2.861 475 R HA 0.289 4.636 4.340 0.011 0.000 0.268 475 R C -0.319 175.788 176.300 -0.322 0.000 1.027 475 R CA -0.108 55.773 56.100 -0.365 0.000 1.163 475 R CB 0.293 30.167 30.300 -0.709 0.000 1.060 475 R HN 0.413 nan 8.270 nan 0.000 0.483 476 Q N 0.823 120.378 119.800 -0.409 0.000 2.331 476 Q HA 0.340 4.686 4.340 0.011 0.000 0.272 476 Q C -2.095 173.746 176.000 -0.266 0.000 1.062 476 Q CA -0.809 54.775 55.803 -0.366 0.000 0.806 476 Q CB 1.548 29.992 28.738 -0.490 0.000 1.312 476 Q HN 0.582 nan 8.270 nan 0.000 0.431 477 F N 2.180 121.950 119.950 -0.299 0.000 2.420 477 F HA 0.706 5.239 4.527 0.011 0.000 0.342 477 F C -0.859 174.903 175.800 -0.064 0.000 1.113 477 F CA -0.275 57.627 58.000 -0.163 0.000 1.059 477 F CB 1.797 40.738 39.000 -0.098 0.000 1.128 477 F HN 0.479 nan 8.300 nan 0.000 0.475 478 T N 8.182 122.163 114.554 -0.955 0.000 2.833 478 T HA 0.385 4.742 4.350 0.011 0.000 0.297 478 T C -2.728 171.463 174.700 -0.849 0.000 1.015 478 T CA -1.171 60.582 62.100 -0.579 0.000 0.963 478 T CB 1.511 70.257 68.868 -0.204 0.000 0.955 478 T HN 0.352 nan 8.240 nan 0.000 0.449 479 P HA 0.446 nan 4.420 nan 0.000 0.278 479 P C -1.475 175.868 177.300 0.071 0.000 1.266 479 P CA -0.643 62.354 63.100 -0.173 0.000 0.807 479 P CB 1.044 32.826 31.700 0.136 0.000 1.094 480 Y N -0.691 119.616 120.300 0.012 0.000 2.482 480 Y HA 0.591 5.147 4.550 0.010 0.000 0.334 480 Y C -1.109 174.840 175.900 0.081 0.000 1.091 480 Y CA -0.264 57.844 58.100 0.012 0.000 1.027 480 Y CB 1.721 40.157 38.460 -0.039 0.000 1.306 480 Y HN 0.702 nan 8.280 nan 0.000 0.446 481 G N 1.890 110.448 108.800 -0.404 0.000 2.719 481 G HA2 0.626 4.593 3.960 0.011 0.000 0.298 481 G HA3 0.626 4.593 3.960 0.011 0.000 0.298 481 G C -1.416 173.271 174.900 -0.355 0.000 1.411 481 G CA -0.451 44.509 45.100 -0.233 0.000 0.991 481 G HN 1.104 nan 8.290 nan 0.000 0.509 482 G N -0.852 107.848 108.800 -0.168 0.000 2.677 482 G HA2 0.703 4.669 3.960 0.011 0.000 0.291 482 G HA3 0.703 4.669 3.960 0.011 0.000 0.291 482 G C -2.271 172.635 174.900 0.010 0.000 1.435 482 G CA -0.683 44.367 45.100 -0.083 0.000 0.826 482 G HN 1.131 nan 8.290 nan 0.000 0.491 483 L N 0.299 121.546 121.223 0.040 0.000 2.436 483 L HA 0.781 5.127 4.340 0.011 0.000 0.268 483 L C -1.147 175.787 176.870 0.106 0.000 0.974 483 L CA -0.780 54.084 54.840 0.039 0.000 0.826 483 L CB 1.885 43.922 42.059 -0.037 0.000 1.291 483 L HN 0.495 nan 8.230 nan 0.000 0.406 484 I N 3.938 124.598 120.570 0.149 0.000 2.439 484 I HA 0.254 4.431 4.170 0.011 0.000 0.285 484 I C -1.592 174.720 176.117 0.325 0.000 1.021 484 I CA -0.427 61.019 61.300 0.243 0.000 1.091 484 I CB 1.657 39.784 38.000 0.212 0.000 1.242 484 I HN 0.646 nan 8.210 nan 0.000 0.439 485 W N 7.229 128.634 121.300 0.175 0.000 2.278 485 W HA 0.396 5.062 4.660 0.011 0.000 0.317 485 W C -0.383 176.328 176.519 0.322 0.000 1.030 485 W CA -1.130 56.350 57.345 0.225 0.000 1.334 485 W CB 0.699 30.299 29.460 0.234 0.000 1.215 485 W HN 0.393 nan 8.180 nan 0.000 0.405 486 D N 7.088 127.675 120.400 0.311 0.000 2.551 486 D HA -0.039 4.607 4.640 0.011 0.000 0.223 486 D C 1.281 177.478 176.300 -0.172 0.000 1.144 486 D CA -0.047 53.971 54.000 0.030 0.000 1.025 486 D CB -0.726 40.111 40.800 0.062 0.000 1.085 486 D HN 0.473 nan 8.370 nan 0.000 0.506 487 F N 0.027 119.659 119.950 -0.529 0.000 2.722 487 F HA 0.253 4.787 4.527 0.011 0.000 0.298 487 F C 0.481 176.122 175.800 -0.264 0.000 1.175 487 F CA -0.470 57.062 58.000 -0.779 0.000 1.462 487 F CB 0.032 38.240 39.000 -1.319 0.000 1.111 487 F HN 0.129 nan 8.300 nan 0.000 0.592 488 A N 0.143 122.687 122.820 -0.459 0.000 2.610 488 A HA 0.475 4.802 4.320 0.011 0.000 0.291 488 A C 0.957 178.463 177.584 -0.130 0.000 1.086 488 A CA -0.610 51.309 52.037 -0.197 0.000 0.677 488 A CB 0.503 19.402 19.000 -0.169 0.000 1.278 488 A HN 0.139 nan 8.150 nan 0.000 0.414 489 R N -0.336 120.144 120.500 -0.033 0.000 2.133 489 R HA -0.176 4.170 4.340 0.011 0.000 0.247 489 R C -0.167 176.084 176.300 -0.081 0.000 1.151 489 R CA 2.414 58.493 56.100 -0.034 0.000 0.971 489 R CB 0.047 30.345 30.300 -0.005 0.000 0.866 489 R HN 0.725 nan 8.270 nan 0.000 0.447 490 D N -2.067 118.282 120.400 -0.084 0.000 2.479 490 D HA 0.085 4.731 4.640 0.011 0.000 0.218 490 D C -0.833 175.099 176.300 -0.613 0.000 1.177 490 D CA 0.201 54.026 54.000 -0.291 0.000 0.830 490 D CB 0.231 40.844 40.800 -0.311 0.000 1.014 490 D HN 0.103 nan 8.370 nan 0.000 0.503 491 W N 0.566 121.624 121.300 -0.403 0.000 2.864 491 W HA 0.550 5.216 4.660 0.010 0.000 0.343 491 W C -0.134 175.987 176.519 -0.664 0.000 1.109 491 W CA -0.519 56.492 57.345 -0.556 0.000 1.192 491 W CB 1.500 30.454 29.460 -0.842 0.000 1.426 491 W HN -0.442 nan 8.180 nan 0.000 0.529 492 S N 0.811 116.484 115.700 -0.045 0.000 2.546 492 S HA 0.431 4.907 4.470 0.011 0.000 0.274 492 S C -2.267 172.696 174.600 0.605 0.000 1.121 492 S CA -0.674 57.637 58.200 0.186 0.000 0.887 492 S CB 1.773 65.085 63.200 0.188 0.000 1.094 492 S HN 0.413 nan 8.310 nan 0.000 0.474 493 W N 4.750 126.336 121.300 0.477 0.000 2.529 493 W HA 0.698 5.365 4.660 0.011 0.000 0.321 493 W C -1.718 175.012 176.519 0.352 0.000 1.047 493 W CA -1.683 55.888 57.345 0.376 0.000 1.216 493 W CB 0.396 30.037 29.460 0.301 0.000 1.357 493 W HN 0.729 nan 8.180 nan 0.000 0.489 494 Y N 3.857 124.448 120.300 0.485 0.000 2.605 494 Y HA 0.816 5.372 4.550 0.010 0.000 0.343 494 Y C -1.885 174.072 175.900 0.095 0.000 1.036 494 Y CA -1.836 56.367 58.100 0.172 0.000 1.065 494 Y CB 1.432 39.999 38.460 0.177 0.000 1.288 494 Y HN 0.359 nan 8.280 nan 0.000 0.481 495 V N 2.091 122.077 119.914 0.119 0.000 2.932 495 V HA 0.836 4.962 4.120 0.011 0.000 0.307 495 V C -1.419 174.765 176.094 0.150 0.000 1.147 495 V CA 0.217 62.552 62.300 0.059 0.000 0.951 495 V CB 1.985 33.758 31.823 -0.083 0.000 1.031 495 V HN 1.470 nan 8.190 nan 0.000 0.426 496 S N 5.227 121.020 115.700 0.155 0.000 2.570 496 S HA 0.719 5.195 4.470 0.011 0.000 0.270 496 S C -1.629 172.976 174.600 0.007 0.000 1.149 496 S CA -0.648 57.568 58.200 0.028 0.000 0.837 496 S CB 1.841 65.027 63.200 -0.023 0.000 1.124 496 S HN 1.458 nan 8.310 nan 0.000 0.465 497 Y N 1.267 121.408 120.300 -0.265 0.000 2.326 497 Y HA 0.716 5.273 4.550 0.011 0.000 0.329 497 Y C -0.711 174.966 175.900 -0.372 0.000 0.973 497 Y CA -0.403 57.510 58.100 -0.311 0.000 1.162 497 Y CB 1.233 39.537 38.460 -0.260 0.000 1.147 497 Y HN 1.207 nan 8.280 nan 0.000 0.456 498 A N 5.517 127.830 122.820 -0.844 0.000 2.393 498 A HA 0.736 5.063 4.320 0.011 0.000 0.306 498 A C -1.263 175.908 177.584 -0.688 0.000 1.050 498 A CA -0.784 50.933 52.037 -0.534 0.000 0.724 498 A CB 1.427 20.339 19.000 -0.146 0.000 1.248 498 A HN 0.797 nan 8.150 nan 0.000 0.424 499 E N -0.006 119.908 120.200 -0.477 0.000 2.277 499 E HA 0.647 5.004 4.350 0.011 0.000 0.266 499 E C -1.616 174.782 176.600 -0.337 0.000 0.901 499 E CA -0.839 55.282 56.400 -0.465 0.000 0.782 499 E CB 2.713 32.189 29.700 -0.374 0.000 1.228 499 E HN 0.481 nan 8.360 nan 0.000 0.424 500 V N 2.717 122.373 119.914 -0.430 0.000 2.932 500 V HA 0.429 4.556 4.120 0.011 0.000 0.307 500 V C -2.031 173.781 176.094 -0.470 0.000 1.147 500 V CA -0.495 61.613 62.300 -0.320 0.000 0.951 500 V CB 1.365 33.032 31.823 -0.260 0.000 1.031 500 V HN 0.610 nan 8.190 nan 0.000 0.426 501 Y N 3.651 123.829 120.300 -0.204 0.000 2.468 501 Y HA 0.729 5.285 4.550 0.011 0.000 0.342 501 Y C 0.004 175.757 175.900 -0.246 0.000 1.021 501 Y CA -0.499 57.473 58.100 -0.213 0.000 1.079 501 Y CB 2.081 40.418 38.460 -0.204 0.000 1.226 501 Y HN 0.598 nan 8.280 nan 0.000 0.460 502 Q N 5.719 125.447 119.800 -0.119 0.000 2.454 502 Q HA 0.403 4.749 4.340 0.011 0.000 0.255 502 Q C -2.751 173.067 176.000 -0.304 0.000 1.034 502 Q CA -2.675 52.997 55.803 -0.219 0.000 0.736 502 Q CB 1.068 29.695 28.738 -0.185 0.000 1.210 502 Q HN 0.275 nan 8.270 nan 0.000 0.500 515 L N 0.682 121.959 121.223 0.090 0.000 2.452 515 L HA 0.385 4.732 4.340 0.011 0.000 0.267 515 L C 0.847 177.731 176.870 0.024 0.000 1.188 515 L CA -0.121 54.751 54.840 0.054 0.000 0.821 515 L CB 0.560 42.639 42.059 0.034 0.000 1.102 515 L HN 0.444 nan 8.230 nan 0.000 0.470 516 S N 1.758 117.473 115.700 0.026 0.000 2.589 516 S HA 0.211 4.687 4.470 0.011 0.000 0.265 516 S C -2.164 172.427 174.600 -0.014 0.000 1.342 516 S CA -0.804 57.405 58.200 0.014 0.000 1.005 516 S CB 0.454 63.672 63.200 0.030 0.000 0.909 516 S HN 0.407 nan 8.310 nan 0.000 0.555 517 P HA 0.221 nan 4.420 nan 0.000 0.275 517 P C -1.144 176.161 177.300 0.009 0.000 1.228 517 P CA -0.426 62.657 63.100 -0.029 0.000 0.786 517 P CB 0.363 32.072 31.700 0.015 0.000 0.927 518 V N 2.717 122.597 119.914 -0.056 0.000 2.461 518 V HA 0.140 4.266 4.120 0.011 0.000 0.275 518 V C 0.625 176.610 176.094 -0.181 0.000 1.047 518 V CA -0.029 62.214 62.300 -0.095 0.000 0.955 518 V CB 0.415 32.168 31.823 -0.116 0.000 0.988 518 V HN 0.543 nan 8.190 nan 0.000 0.471 519 E N 3.463 123.518 120.200 -0.242 0.000 2.156 519 E HA 0.561 4.917 4.350 0.011 0.000 0.279 519 E C 0.001 176.337 176.600 -0.440 0.000 0.965 519 E CA -0.509 55.587 56.400 -0.506 0.000 0.789 519 E CB 1.543 30.943 29.700 -0.500 0.000 1.098 519 E HN 0.817 nan 8.360 nan 0.000 0.397 520 G N 5.006 113.497 108.800 -0.515 0.000 2.603 520 G HA2 0.220 4.186 3.960 0.011 0.000 0.324 520 G HA3 0.220 4.186 3.960 0.011 0.000 0.324 520 G C -0.776 173.855 174.900 -0.449 0.000 1.178 520 G CA -0.673 44.142 45.100 -0.475 0.000 1.023 520 G HN 0.444 nan 8.290 nan 0.000 0.482 521 K N 1.305 121.484 120.400 -0.369 0.000 2.235 521 K HA 0.582 4.909 4.320 0.011 0.000 0.266 521 K C -0.937 175.430 176.600 -0.389 0.000 0.980 521 K CA -0.625 55.382 56.287 -0.468 0.000 0.849 521 K CB 1.930 34.177 32.500 -0.422 0.000 1.098 521 K HN 0.142 nan 8.250 nan 0.000 0.445 522 T N 3.341 117.604 114.554 -0.484 0.000 2.758 522 T HA 0.288 4.645 4.350 0.011 0.000 0.285 522 T C -1.175 173.356 174.700 -0.281 0.000 0.981 522 T CA -0.415 61.544 62.100 -0.235 0.000 0.965 522 T CB 0.047 68.818 68.868 -0.161 0.000 0.927 522 T HN 0.361 nan 8.240 nan 0.000 0.448 523 Y N 1.973 122.306 120.300 0.056 0.000 2.331 523 Y HA 0.590 5.146 4.550 0.010 0.000 0.338 523 Y C 0.569 176.559 175.900 0.149 0.000 0.992 523 Y CA -0.925 57.247 58.100 0.119 0.000 1.121 523 Y CB 1.322 39.865 38.460 0.139 0.000 1.184 523 Y HN 0.613 nan 8.280 nan 0.000 0.469 524 E N 1.173 121.541 120.200 0.281 0.000 2.366 524 E HA 0.581 4.938 4.350 0.011 0.000 0.278 524 E C -1.623 175.094 176.600 0.195 0.000 0.923 524 E CA -0.681 55.886 56.400 0.278 0.000 0.761 524 E CB 2.215 32.107 29.700 0.320 0.000 1.231 524 E HN 0.567 nan 8.360 nan 0.000 0.443 525 T N 1.444 116.058 114.554 0.101 0.000 2.933 525 T HA 0.817 5.173 4.350 0.011 0.000 0.305 525 T C -0.883 173.666 174.700 -0.253 0.000 1.092 525 T CA 0.155 62.200 62.100 -0.092 0.000 1.008 525 T CB 1.450 70.392 68.868 0.123 0.000 1.102 525 T HN 0.675 nan 8.240 nan 0.000 0.469 526 G N 2.567 110.933 108.800 -0.722 0.000 2.548 526 G HA2 0.609 4.575 3.960 0.011 0.000 0.301 526 G HA3 0.609 4.575 3.960 0.011 0.000 0.301 526 G C -2.145 172.703 174.900 -0.086 0.000 1.349 526 G CA -0.594 44.292 45.100 -0.356 0.000 0.792 526 G HN 0.685 nan 8.290 nan 0.000 0.481 527 I N 0.375 121.065 120.570 0.200 0.000 2.545 527 I HA 0.522 4.698 4.170 0.011 0.000 0.292 527 I C -0.476 175.906 176.117 0.442 0.000 1.040 527 I CA -0.811 60.712 61.300 0.372 0.000 1.068 527 I CB 1.846 40.015 38.000 0.282 0.000 1.251 527 I HN 0.439 nan 8.210 nan 0.000 0.424 528 K N 3.351 124.013 120.400 0.436 0.000 2.427 528 K HA 0.749 5.076 4.320 0.011 0.000 0.252 528 K C -0.348 176.221 176.600 -0.051 0.000 0.931 528 K CA -0.727 55.689 56.287 0.214 0.000 0.793 528 K CB 3.100 35.692 32.500 0.153 0.000 1.211 528 K HN 0.830 nan 8.250 nan 0.000 0.426 529 G N 1.491 110.004 108.800 -0.479 0.000 2.617 529 G HA2 0.399 4.365 3.960 0.011 0.000 0.306 529 G HA3 0.399 4.365 3.960 0.011 0.000 0.306 529 G C -1.268 173.149 174.900 -0.805 0.000 1.360 529 G CA -0.649 43.616 45.100 -1.393 0.000 0.983 529 G HN 0.666 nan 8.290 nan 0.000 0.496 530 E N 2.734 122.514 120.200 -0.701 0.000 2.141 530 E HA 0.531 4.887 4.350 0.011 0.000 0.259 530 E C -0.552 175.846 176.600 -0.337 0.000 0.883 530 E CA -0.746 55.421 56.400 -0.389 0.000 0.744 530 E CB 1.342 30.887 29.700 -0.259 0.000 1.150 530 E HN 0.326 nan 8.360 nan 0.000 0.420 531 L N 1.592 122.665 121.223 -0.250 0.000 2.397 531 L HA 0.682 5.029 4.340 0.011 0.000 0.266 531 L C 0.662 177.476 176.870 -0.094 0.000 1.040 531 L CA -1.293 53.456 54.840 -0.151 0.000 0.800 531 L CB 0.793 42.791 42.059 -0.102 0.000 1.324 531 L HN 0.805 nan 8.230 nan 0.000 0.469 532 A N 0.569 123.353 122.820 -0.060 0.000 2.560 532 A HA -0.257 4.069 4.320 0.011 0.000 0.299 532 A C 0.521 178.072 177.584 -0.055 0.000 1.484 532 A CA 1.158 53.169 52.037 -0.045 0.000 0.749 532 A CB -1.994 16.989 19.000 -0.029 0.000 1.072 532 A HN 1.023 nan 8.150 nan 0.000 0.426 533 D N -3.336 117.027 120.400 -0.062 0.000 3.041 533 D HA -0.048 4.598 4.640 0.011 0.000 0.220 533 D C 1.484 177.742 176.300 -0.069 0.000 1.157 533 D CA 2.773 56.735 54.000 -0.063 0.000 0.876 533 D CB -1.176 39.590 40.800 -0.058 0.000 1.107 533 D HN 2.432 nan 8.370 nan 0.000 0.422 534 G N -0.837 107.914 108.800 -0.082 0.000 2.157 534 G HA2 -0.392 3.575 3.960 0.011 0.000 0.248 534 G HA3 -0.392 3.575 3.960 0.011 0.000 0.248 534 G C 0.882 175.754 174.900 -0.047 0.000 0.979 534 G CA 0.359 45.411 45.100 -0.079 0.000 0.650 534 G HN 0.463 nan 8.290 nan 0.000 0.529 535 R N -1.129 119.354 120.500 -0.030 0.000 2.300 535 R HA 0.381 4.727 4.340 0.011 0.000 0.199 535 R C 0.306 176.656 176.300 0.083 0.000 0.920 535 R CA 0.367 56.488 56.100 0.034 0.000 1.046 535 R CB 0.362 30.662 30.300 0.000 0.000 0.984 535 R HN 0.387 nan 8.270 nan 0.000 0.493 536 L N 1.069 122.290 121.223 -0.004 0.000 2.439 536 L HA 0.402 4.748 4.340 0.011 0.000 0.270 536 L C -1.676 175.141 176.870 -0.088 0.000 0.972 536 L CA -0.475 54.344 54.840 -0.036 0.000 0.836 536 L CB 1.757 43.785 42.059 -0.051 0.000 1.255 536 L HN -0.105 nan 8.230 nan 0.000 0.404 537 N N 6.226 124.877 118.700 -0.082 0.000 2.354 537 N HA 0.639 5.385 4.740 0.011 0.000 0.287 537 N C -1.399 174.063 175.510 -0.079 0.000 1.016 537 N CA -0.345 52.639 53.050 -0.109 0.000 0.871 537 N CB 2.448 40.886 38.487 -0.081 0.000 1.299 537 N HN 0.518 nan 8.380 nan 0.000 0.482 538 L N 0.728 121.892 121.223 -0.098 0.000 2.341 538 L HA 0.693 5.039 4.340 0.011 0.000 0.267 538 L C 0.208 177.115 176.870 0.062 0.000 1.009 538 L CA -0.804 54.036 54.840 0.000 0.000 0.819 538 L CB 1.986 44.076 42.059 0.052 0.000 1.323 538 L HN 0.582 nan 8.230 nan 0.000 0.425 539 S N 1.550 117.332 115.700 0.137 0.000 2.547 539 S HA 0.802 5.278 4.470 0.011 0.000 0.270 539 S C -1.562 173.176 174.600 0.230 0.000 1.150 539 S CA -0.769 57.552 58.200 0.203 0.000 0.850 539 S CB 2.339 65.648 63.200 0.181 0.000 1.118 539 S HN 0.553 nan 8.310 nan 0.000 0.461 540 L N 1.207 122.586 121.223 0.260 0.000 2.464 540 L HA 0.981 5.327 4.340 0.011 0.000 0.266 540 L C -0.883 176.136 176.870 0.248 0.000 0.965 540 L CA -0.145 54.842 54.840 0.246 0.000 0.833 540 L CB 1.444 43.614 42.059 0.185 0.000 1.296 540 L HN 1.438 nan 8.230 nan 0.000 0.405 541 A N 3.597 126.591 122.820 0.291 0.000 2.572 541 A HA 1.007 5.334 4.320 0.011 0.000 0.295 541 A C -1.463 176.320 177.584 0.331 0.000 1.072 541 A CA -0.115 52.093 52.037 0.286 0.000 0.691 541 A CB 1.683 20.902 19.000 0.365 0.000 1.291 541 A HN 1.468 nan 8.150 nan 0.000 0.404 542 A N 0.840 123.810 122.820 0.249 0.000 2.355 542 A HA 0.928 5.254 4.320 0.011 0.000 0.317 542 A C -0.769 176.950 177.584 0.225 0.000 1.094 542 A CA -0.480 51.668 52.037 0.185 0.000 0.764 542 A CB 0.522 19.568 19.000 0.077 0.000 1.230 542 A HN 1.910 nan 8.150 nan 0.000 0.448 543 F N 0.042 120.088 119.950 0.159 0.000 2.613 543 F HA 0.888 5.421 4.527 0.010 0.000 0.314 543 F C -0.586 175.291 175.800 0.128 0.000 1.075 543 F CA -1.071 57.014 58.000 0.141 0.000 0.945 543 F CB 1.705 40.776 39.000 0.118 0.000 1.310 543 F HN 0.664 nan 8.300 nan 0.000 0.467 544 R N 3.040 123.757 120.500 0.362 0.000 2.533 544 R HA 0.714 5.060 4.340 0.011 0.000 0.288 544 R C -2.274 174.261 176.300 0.393 0.000 1.039 544 R CA -0.599 55.666 56.100 0.274 0.000 0.909 544 R CB 1.721 32.097 30.300 0.127 0.000 1.195 544 R HN 0.943 nan 8.270 nan 0.000 0.438 545 I N 3.574 124.347 120.570 0.339 0.000 2.389 545 I HA 0.287 4.463 4.170 0.011 0.000 0.288 545 I C -0.848 175.362 176.117 0.155 0.000 0.999 545 I CA -0.866 60.567 61.300 0.222 0.000 1.129 545 I CB 2.065 40.199 38.000 0.223 0.000 1.288 545 I HN 0.459 nan 8.210 nan 0.000 0.444 546 D N 6.436 126.901 120.400 0.108 0.000 2.303 546 D HA 0.386 5.032 4.640 0.011 0.000 0.236 546 D C -0.786 175.468 176.300 -0.077 0.000 1.068 546 D CA -0.291 53.744 54.000 0.058 0.000 0.830 546 D CB 2.441 43.329 40.800 0.147 0.000 1.109 546 D HN 0.189 nan 8.370 nan 0.000 0.496 547 L N 3.366 124.520 121.223 -0.115 0.000 2.265 547 L HA 0.255 4.602 4.340 0.011 0.000 0.289 547 L C -0.121 176.678 176.870 -0.117 0.000 1.033 547 L CA -0.182 54.534 54.840 -0.207 0.000 0.814 547 L CB 0.585 42.489 42.059 -0.258 0.000 1.203 547 L HN 0.168 nan 8.230 nan 0.000 0.423 548 E N 4.132 124.262 120.200 -0.116 0.000 2.212 548 E HA 0.311 4.668 4.350 0.011 0.000 0.270 548 E C -0.166 176.409 176.600 -0.040 0.000 0.956 548 E CA -0.681 55.687 56.400 -0.053 0.000 0.825 548 E CB 1.126 30.805 29.700 -0.034 0.000 1.167 548 E HN 0.525 nan 8.360 nan 0.000 0.400 549 N N 1.310 120.011 118.700 0.002 0.000 2.747 549 N HA -0.199 4.547 4.740 0.011 0.000 0.249 549 N C -0.417 175.104 175.510 0.019 0.000 1.107 549 N CA 0.643 53.705 53.050 0.019 0.000 0.707 549 N CB -1.358 37.141 38.487 0.021 0.000 1.054 549 N HN 0.594 nan 8.380 nan 0.000 0.555 550 N N 1.104 119.820 118.700 0.028 0.000 2.492 550 N HA 0.213 4.959 4.740 0.011 0.000 0.260 550 N C -2.610 172.964 175.510 0.108 0.000 1.215 550 N CA -0.871 52.212 53.050 0.055 0.000 0.923 550 N CB 0.712 39.241 38.487 0.071 0.000 1.092 550 N HN 0.039 nan 8.380 nan 0.000 0.448 551 P HA 0.118 nan 4.420 nan 0.000 0.275 551 P C -1.213 176.276 177.300 0.314 0.000 1.227 551 P CA 0.002 63.212 63.100 0.182 0.000 0.781 551 P CB 0.653 32.391 31.700 0.064 0.000 0.906 552 Q N 0.358 120.367 119.800 0.348 0.000 2.456 552 Q HA 0.481 4.828 4.340 0.011 0.000 0.283 552 Q C -0.935 175.160 176.000 0.160 0.000 1.084 552 Q CA -1.051 54.918 55.803 0.277 0.000 0.801 552 Q CB 1.654 30.483 28.738 0.151 0.000 1.434 552 Q HN 0.294 nan 8.270 nan 0.000 0.419 553 E N 1.107 121.263 120.200 -0.072 0.000 2.413 553 E HA -0.023 4.333 4.350 0.011 0.000 0.263 553 E C -0.798 175.744 176.600 -0.097 0.000 1.015 553 E CA -0.029 56.187 56.400 -0.307 0.000 0.916 553 E CB 0.563 30.091 29.700 -0.285 0.000 0.947 553 E HN 0.397 nan 8.360 nan 0.000 0.440 554 D N 3.885 124.250 120.400 -0.058 0.000 2.346 554 D HA 0.013 4.660 4.640 0.011 0.000 0.260 554 D C -1.441 174.893 176.300 0.056 0.000 1.252 554 D CA -2.014 52.013 54.000 0.044 0.000 0.895 554 D CB 0.960 41.821 40.800 0.101 0.000 1.097 554 D HN 0.189 nan 8.370 nan 0.000 0.489 555 P HA -0.065 nan 4.420 nan 0.000 0.221 555 P C 0.191 177.521 177.300 0.049 0.000 1.150 555 P CA 0.758 63.878 63.100 0.034 0.000 0.800 555 P CB 0.639 32.353 31.700 0.023 0.000 0.787 556 D N -1.700 118.760 120.400 0.101 0.000 2.366 556 D HA 0.008 4.655 4.640 0.011 0.000 0.205 556 D C 0.095 176.385 176.300 -0.016 0.000 1.022 556 D CA 0.672 54.715 54.000 0.071 0.000 0.868 556 D CB -0.260 40.617 40.800 0.127 0.000 0.953 556 D HN 0.363 nan 8.370 nan 0.000 0.514 557 H N 0.853 119.906 119.070 -0.028 0.000 2.418 557 H HA 0.264 4.827 4.556 0.011 0.000 0.238 557 H C -2.284 173.132 175.328 0.146 0.000 1.403 557 H CA -1.751 54.265 56.048 -0.054 0.000 1.419 557 H CB 0.946 30.538 29.762 -0.284 0.000 1.463 557 H HN -0.035 nan 8.280 nan 0.000 0.515 558 P HA 0.169 nan 4.420 nan 0.000 0.276 558 P C 0.604 178.109 177.300 0.342 0.000 1.230 558 P CA -0.028 63.201 63.100 0.215 0.000 0.776 558 P CB 1.851 33.602 31.700 0.086 0.000 0.888 559 G N 3.344 112.260 108.800 0.194 0.000 2.671 559 G HA2 0.555 4.521 3.960 0.011 0.000 0.275 559 G HA3 0.555 4.521 3.960 0.011 0.000 0.275 559 G C -2.570 172.296 174.900 -0.057 0.000 1.368 559 G CA -1.632 43.436 45.100 -0.053 0.000 1.044 559 G HN 0.295 nan 8.290 nan 0.000 0.543 560 P HA 0.134 nan 4.420 nan 0.000 0.271 560 P C -1.685 175.584 177.300 -0.051 0.000 1.233 560 P CA -0.730 62.337 63.100 -0.055 0.000 0.795 560 P CB 0.168 31.829 31.700 -0.064 0.000 0.936 561 P HA -0.248 nan 4.420 nan 0.000 0.211 561 P C -0.092 177.184 177.300 -0.041 0.000 1.038 561 P CA 1.884 64.966 63.100 -0.031 0.000 0.988 561 P CB -0.312 31.374 31.700 -0.022 0.000 0.758 562 N N -1.469 117.209 118.700 -0.036 0.000 2.635 562 N HA 0.143 4.889 4.740 0.011 0.000 0.307 562 N C -0.341 175.157 175.510 -0.020 0.000 1.433 562 N CA -0.075 52.955 53.050 -0.034 0.000 0.973 562 N CB -0.360 38.109 38.487 -0.029 0.000 1.304 562 N HN 0.045 nan 8.380 nan 0.000 0.507 563 N N 1.156 119.826 118.700 -0.050 0.000 2.732 563 N HA 0.139 4.885 4.740 0.011 0.000 0.235 563 N C -3.109 172.302 175.510 -0.165 0.000 1.466 563 N CA -1.042 51.968 53.050 -0.066 0.000 0.751 563 N CB 1.391 39.828 38.487 -0.083 0.000 1.317 563 N HN 0.095 nan 8.380 nan 0.000 0.525 564 P HA 0.293 nan 4.420 nan 0.000 0.276 564 P C -0.391 176.742 177.300 -0.279 0.000 1.252 564 P CA -0.232 62.728 63.100 -0.233 0.000 0.802 564 P CB 0.926 32.466 31.700 -0.267 0.000 1.035 565 F N 0.019 119.902 119.950 -0.112 0.000 2.370 565 F HA 0.369 4.902 4.527 0.011 0.000 0.324 565 F C 0.597 176.289 175.800 -0.181 0.000 1.116 565 F CA 0.469 58.462 58.000 -0.011 0.000 1.123 565 F CB 0.500 39.519 39.000 0.032 0.000 1.238 565 F HN 0.223 nan 8.300 nan 0.000 0.536 566 Y N 1.676 122.126 120.300 0.250 0.000 2.570 566 Y HA 0.700 5.256 4.550 0.011 0.000 0.345 566 Y C -0.049 175.916 175.900 0.109 0.000 1.014 566 Y CA -1.267 56.922 58.100 0.148 0.000 1.063 566 Y CB 1.841 40.370 38.460 0.114 0.000 1.272 566 Y HN 0.375 nan 8.280 nan 0.000 0.477 567 I N -2.352 118.363 120.570 0.242 0.000 3.174 567 I HA 0.770 4.946 4.170 0.011 0.000 0.313 567 I C -0.599 175.604 176.117 0.143 0.000 1.155 567 I CA -0.886 60.499 61.300 0.140 0.000 0.977 567 I CB 2.180 40.224 38.000 0.075 0.000 1.248 567 I HN 0.419 nan 8.210 nan 0.000 0.453 568 S N 0.586 116.344 115.700 0.097 0.000 2.481 568 S HA 0.693 5.170 4.470 0.011 0.000 0.267 568 S C 1.024 175.669 174.600 0.076 0.000 1.174 568 S CA 0.272 58.523 58.200 0.084 0.000 1.027 568 S CB 0.656 63.892 63.200 0.060 0.000 1.117 568 S HN 1.466 nan 8.310 nan 0.000 0.495 569 G N -0.370 108.467 108.800 0.062 0.000 2.241 569 G HA2 -0.173 3.793 3.960 0.011 0.000 0.244 569 G HA3 -0.173 3.793 3.960 0.011 0.000 0.244 569 G C 0.456 175.393 174.900 0.063 0.000 0.998 569 G CA 0.045 45.179 45.100 0.056 0.000 0.621 569 G HN 1.066 nan 8.290 nan 0.000 0.519 570 G N 0.030 108.879 108.800 0.082 0.000 2.630 570 G HA2 0.431 4.397 3.960 0.011 0.000 0.236 570 G HA3 0.431 4.397 3.960 0.011 0.000 0.236 570 G C -0.111 174.832 174.900 0.072 0.000 1.248 570 G CA 0.841 46.001 45.100 0.100 0.000 0.844 570 G HN 0.786 nan 8.290 nan 0.000 0.588 571 K N 0.165 120.614 120.400 0.081 0.000 2.535 571 K HA 0.546 4.872 4.320 0.011 0.000 0.251 571 K C -1.506 175.109 176.600 0.023 0.000 0.942 571 K CA -0.637 55.673 56.287 0.038 0.000 0.798 571 K CB 2.271 34.794 32.500 0.038 0.000 1.267 571 K HN 0.341 nan 8.250 nan 0.000 0.434 572 V N 3.270 123.143 119.914 -0.068 0.000 2.962 572 V HA 0.609 4.735 4.120 0.011 0.000 0.313 572 V C -0.899 175.130 176.094 -0.109 0.000 1.099 572 V CA -0.934 61.251 62.300 -0.191 0.000 0.971 572 V CB 2.104 33.592 31.823 -0.558 0.000 1.028 572 V HN 0.818 nan 8.190 nan 0.000 0.430 573 R N 1.533 121.974 120.500 -0.098 0.000 2.628 573 R HA 0.728 5.074 4.340 0.011 0.000 0.288 573 R C -1.261 175.041 176.300 0.003 0.000 0.980 573 R CA -0.210 55.887 56.100 -0.004 0.000 0.891 573 R CB 1.990 32.293 30.300 0.005 0.000 1.188 573 R HN 0.752 nan 8.270 nan 0.000 0.450 574 S N 3.182 118.948 115.700 0.109 0.000 2.561 574 S HA 0.371 4.847 4.470 0.011 0.000 0.303 574 S C -1.537 173.175 174.600 0.187 0.000 1.110 574 S CA -0.650 57.622 58.200 0.120 0.000 1.034 574 S CB 1.150 64.462 63.200 0.186 0.000 1.010 574 S HN 0.666 nan 8.310 nan 0.000 0.482 575 Q N 3.220 123.026 119.800 0.009 0.000 2.456 575 Q HA 0.873 5.220 4.340 0.011 0.000 0.284 575 Q C -0.221 175.420 176.000 -0.597 0.000 1.061 575 Q CA -1.126 54.516 55.803 -0.269 0.000 0.799 575 Q CB 1.729 30.378 28.738 -0.149 0.000 1.445 575 Q HN 0.876 nan 8.270 nan 0.000 0.411 576 G N 0.610 108.707 108.800 -1.171 0.000 2.360 576 G HA2 0.455 4.422 3.960 0.011 0.000 0.276 576 G HA3 0.455 4.422 3.960 0.011 0.000 0.276 576 G C -1.899 172.700 174.900 -0.500 0.000 1.256 576 G CA -0.249 44.452 45.100 -0.665 0.000 0.890 576 G HN 0.968 nan 8.290 nan 0.000 0.486 577 F N -1.063 118.826 119.950 -0.101 0.000 2.685 577 F HA 0.934 5.467 4.527 0.010 0.000 0.315 577 F C -1.034 174.901 175.800 0.225 0.000 1.126 577 F CA -1.113 56.947 58.000 0.100 0.000 0.950 577 F CB 2.241 41.296 39.000 0.092 0.000 1.360 577 F HN 0.746 nan 8.300 nan 0.000 0.469 578 E N 1.644 122.053 120.200 0.347 0.000 2.335 578 E HA 0.623 4.979 4.350 0.011 0.000 0.280 578 E C -2.327 174.442 176.600 0.281 0.000 0.918 578 E CA -0.703 55.788 56.400 0.152 0.000 0.765 578 E CB 2.473 32.258 29.700 0.143 0.000 1.218 578 E HN 0.832 nan 8.360 nan 0.000 0.425 579 L N 3.160 124.536 121.223 0.256 0.000 2.346 579 L HA 0.611 4.957 4.340 0.011 0.000 0.276 579 L C -0.602 176.378 176.870 0.184 0.000 1.006 579 L CA -0.315 54.688 54.840 0.272 0.000 0.817 579 L CB 1.932 44.200 42.059 0.348 0.000 1.272 579 L HN 0.591 nan 8.230 nan 0.000 0.421 580 E N 1.421 121.710 120.200 0.148 0.000 2.372 580 E HA 0.694 5.050 4.350 0.011 0.000 0.279 580 E C -1.429 175.213 176.600 0.070 0.000 0.946 580 E CA -0.750 55.708 56.400 0.096 0.000 0.769 580 E CB 2.322 32.064 29.700 0.070 0.000 1.230 580 E HN 0.643 nan 8.360 nan 0.000 0.442 581 G N 1.360 110.181 108.800 0.036 0.000 2.719 581 G HA2 0.593 4.560 3.960 0.011 0.000 0.298 581 G HA3 0.593 4.560 3.960 0.011 0.000 0.298 581 G C -1.090 173.793 174.900 -0.029 0.000 1.433 581 G CA -0.314 44.785 45.100 -0.001 0.000 1.034 581 G HN 0.466 nan 8.290 nan 0.000 0.517 582 T N -1.078 113.448 114.554 -0.047 0.000 2.916 582 T HA 0.928 5.285 4.350 0.011 0.000 0.305 582 T C 0.376 175.026 174.700 -0.084 0.000 1.119 582 T CA 0.308 62.370 62.100 -0.063 0.000 1.008 582 T CB 1.964 70.809 68.868 -0.038 0.000 1.129 582 T HN 2.456 nan 8.240 nan 0.000 0.480 583 G N 1.083 109.792 108.800 -0.151 0.000 2.255 583 G HA2 0.164 4.130 3.960 0.011 0.000 0.216 583 G HA3 0.164 4.130 3.960 0.011 0.000 0.216 583 G C -2.050 172.623 174.900 -0.377 0.000 1.307 583 G CA -0.830 44.178 45.100 -0.153 0.000 1.162 583 G HN 0.898 nan 8.290 nan 0.000 0.494 584 Y N 1.097 121.361 120.300 -0.060 0.000 2.334 584 Y HA 0.602 5.159 4.550 0.010 0.000 0.336 584 Y C 1.581 177.412 175.900 -0.116 0.000 0.960 584 Y CA -0.740 57.323 58.100 -0.062 0.000 1.164 584 Y CB 1.512 39.955 38.460 -0.028 0.000 1.155 584 Y HN 0.439 nan 8.280 nan 0.000 0.478 585 L N 1.720 122.864 121.223 -0.133 0.000 2.201 585 L HA -0.044 4.302 4.340 0.011 0.000 0.212 585 L C 0.857 177.718 176.870 -0.014 0.000 1.105 585 L CA 1.289 55.985 54.840 -0.241 0.000 0.775 585 L CB -0.232 41.356 42.059 -0.784 0.000 0.913 585 L HN 0.766 nan 8.230 nan 0.000 0.440 586 T N -7.184 107.458 114.554 0.148 0.000 2.792 586 T HA 0.301 4.657 4.350 0.011 0.000 0.303 586 T C -2.481 172.304 174.700 0.142 0.000 1.310 586 T CA -1.373 60.828 62.100 0.169 0.000 1.007 586 T CB 1.512 70.557 68.868 0.295 0.000 1.335 586 T HN -0.379 nan 8.240 nan 0.000 0.504 587 P HA 0.021 nan 4.420 nan 0.000 0.223 587 P C -0.040 177.080 177.300 -0.300 0.000 1.144 587 P CA 1.017 63.915 63.100 -0.336 0.000 0.783 587 P CB -0.165 31.160 31.700 -0.624 0.000 0.771 588 Y N -4.933 115.498 120.300 0.219 0.000 2.641 588 Y HA 0.332 4.888 4.550 0.010 0.000 0.248 588 Y C 0.077 176.185 175.900 0.348 0.000 1.170 588 Y CA -1.090 57.122 58.100 0.186 0.000 1.201 588 Y CB -0.107 38.346 38.460 -0.012 0.000 1.232 588 Y HN -0.053 nan 8.280 nan 0.000 0.537 589 W N 2.589 124.099 121.300 0.351 0.000 2.543 589 W HA 0.591 5.258 4.660 0.011 0.000 0.318 589 W C -0.554 176.047 176.519 0.136 0.000 1.002 589 W CA -1.662 55.873 57.345 0.317 0.000 1.302 589 W CB 1.189 30.851 29.460 0.337 0.000 1.299 589 W HN -0.063 nan 8.180 nan 0.000 0.424 590 S N 4.941 120.798 115.700 0.261 0.000 2.690 590 S HA 0.876 5.353 4.470 0.011 0.000 0.291 590 S C -1.278 173.216 174.600 -0.176 0.000 1.138 590 S CA -0.715 57.359 58.200 -0.210 0.000 1.013 590 S CB 2.432 65.403 63.200 -0.381 0.000 1.053 590 S HN 0.668 nan 8.310 nan 0.000 0.539 591 L N 0.557 121.625 121.223 -0.258 0.000 2.472 591 L HA 0.741 5.088 4.340 0.011 0.000 0.260 591 L C -1.373 175.439 176.870 -0.095 0.000 0.963 591 L CA -0.038 54.698 54.840 -0.174 0.000 0.829 591 L CB 2.262 44.168 42.059 -0.255 0.000 1.348 591 L HN 0.812 nan 8.230 nan 0.000 0.408 592 S N 3.380 119.082 115.700 0.004 0.000 2.789 592 S HA 0.924 5.400 4.470 0.011 0.000 0.286 592 S C -0.992 173.644 174.600 0.060 0.000 1.153 592 S CA -0.164 58.059 58.200 0.039 0.000 1.084 592 S CB 1.390 64.648 63.200 0.098 0.000 1.036 592 S HN 0.954 nan 8.310 nan 0.000 0.484 593 A N 2.172 125.012 122.820 0.034 0.000 2.422 593 A HA 0.952 5.279 4.320 0.011 0.000 0.302 593 A C -0.217 177.406 177.584 0.064 0.000 1.041 593 A CA -0.755 51.316 52.037 0.056 0.000 0.708 593 A CB 1.681 20.706 19.000 0.042 0.000 1.257 593 A HN 0.908 nan 8.150 nan 0.000 0.414 594 G N 0.055 108.904 108.800 0.082 0.000 2.731 594 G HA2 0.552 4.518 3.960 0.011 0.000 0.298 594 G HA3 0.552 4.518 3.960 0.011 0.000 0.298 594 G C -1.871 173.106 174.900 0.129 0.000 1.424 594 G CA -0.375 44.776 45.100 0.086 0.000 1.029 594 G HN 1.177 nan 8.290 nan 0.000 0.518 595 Y N 1.502 121.818 120.300 0.026 0.000 2.350 595 Y HA 0.725 5.281 4.550 0.010 0.000 0.338 595 Y C -0.541 175.337 175.900 -0.037 0.000 0.961 595 Y CA -0.800 57.306 58.100 0.010 0.000 1.100 595 Y CB 2.239 40.719 38.460 0.034 0.000 1.179 595 Y HN 0.476 nan 8.280 nan 0.000 0.454 596 T N 7.004 121.049 114.554 -0.848 0.000 2.812 596 T HA 0.245 4.602 4.350 0.011 0.000 0.282 596 T C -1.916 172.245 174.700 -0.897 0.000 0.990 596 T CA -0.440 61.228 62.100 -0.720 0.000 0.960 596 T CB 0.620 69.293 68.868 -0.325 0.000 0.948 596 T HN 0.508 nan 8.240 nan 0.000 0.438 597 Y N 2.631 122.355 120.300 -0.961 0.000 2.331 597 Y HA 0.568 5.125 4.550 0.010 0.000 0.338 597 Y C -0.546 175.144 175.900 -0.349 0.000 0.976 597 Y CA -0.597 57.066 58.100 -0.728 0.000 1.137 597 Y CB 1.073 39.043 38.460 -0.816 0.000 1.172 597 Y HN 0.579 nan 8.280 nan 0.000 0.478 598 T N 4.821 118.788 114.554 -0.978 0.000 2.879 598 T HA 0.358 4.714 4.350 0.011 0.000 0.290 598 T C -1.192 173.063 174.700 -0.743 0.000 0.993 598 T CA -0.768 60.959 62.100 -0.621 0.000 0.975 598 T CB 1.147 69.853 68.868 -0.270 0.000 0.981 598 T HN 0.513 nan 8.240 nan 0.000 0.439 599 S N 2.755 118.119 115.700 -0.561 0.000 2.552 599 S HA 0.711 5.188 4.470 0.011 0.000 0.314 599 S C -0.151 174.339 174.600 -0.185 0.000 1.099 599 S CA -0.610 57.384 58.200 -0.344 0.000 1.070 599 S CB 0.557 63.627 63.200 -0.217 0.000 0.998 599 S HN 0.865 nan 8.310 nan 0.000 0.474 600 T N 1.675 116.135 114.554 -0.157 0.000 2.885 600 T HA 0.809 5.166 4.350 0.011 0.000 0.285 600 T C -0.877 173.780 174.700 -0.071 0.000 1.019 600 T CA -0.696 61.333 62.100 -0.117 0.000 1.010 600 T CB 1.522 70.309 68.868 -0.135 0.000 1.022 600 T HN 0.780 nan 8.240 nan 0.000 0.466 601 E N 1.497 121.654 120.200 -0.073 0.000 2.392 601 E HA 0.394 4.750 4.350 0.011 0.000 0.279 601 E C -1.762 174.797 176.600 -0.069 0.000 0.964 601 E CA -1.140 55.245 56.400 -0.025 0.000 0.777 601 E CB 0.950 30.661 29.700 0.018 0.000 1.249 601 E HN 0.590 nan 8.360 nan 0.000 0.449 602 Y N 1.222 121.556 120.300 0.057 0.000 2.309 602 Y HA 0.227 4.784 4.550 0.011 0.000 0.327 602 Y C 0.914 176.825 175.900 0.019 0.000 1.172 602 Y CA 0.001 58.125 58.100 0.041 0.000 1.280 602 Y CB 1.116 39.624 38.460 0.079 0.000 1.234 602 Y HN 0.524 nan 8.280 nan 0.000 0.512 603 L N 1.415 122.738 121.223 0.165 0.000 2.526 603 L HA 0.245 4.591 4.340 0.011 0.000 0.210 603 L C 0.199 177.128 176.870 0.099 0.000 1.048 603 L CA 0.346 55.245 54.840 0.099 0.000 0.852 603 L CB 0.483 42.573 42.059 0.052 0.000 1.128 603 L HN 0.404 nan 8.230 nan 0.000 0.482 604 K N 0.540 121.010 120.400 0.116 0.000 2.637 604 K HA 0.335 4.661 4.320 0.011 0.000 0.248 604 K C -1.913 174.752 176.600 0.109 0.000 0.971 604 K CA -0.303 56.036 56.287 0.087 0.000 0.858 604 K CB 1.859 34.397 32.500 0.064 0.000 1.170 604 K HN -0.065 nan 8.250 nan 0.000 0.443 605 D N 1.303 121.740 120.400 0.061 0.000 2.886 605 D HA 0.066 4.712 4.640 0.011 0.000 0.216 605 D C 0.722 176.999 176.300 -0.038 0.000 1.256 605 D CA -0.437 53.574 54.000 0.018 0.000 0.844 605 D CB 1.788 42.540 40.800 -0.080 0.000 1.669 605 D HN 0.349 nan 8.370 nan 0.000 0.513 606 S N 2.516 118.202 115.700 -0.024 0.000 2.399 606 S HA -0.173 4.304 4.470 0.011 0.000 0.231 606 S C 1.092 175.654 174.600 -0.063 0.000 1.022 606 S CA 0.855 59.037 58.200 -0.030 0.000 0.983 606 S CB 0.010 63.202 63.200 -0.014 0.000 0.803 606 S HN 0.550 nan 8.310 nan 0.000 0.480 607 Q N 1.125 120.860 119.800 -0.108 0.000 2.247 607 Q HA 0.398 4.744 4.340 0.011 0.000 0.211 607 Q C -0.582 175.309 176.000 -0.181 0.000 0.861 607 Q CA 0.074 55.803 55.803 -0.123 0.000 0.949 607 Q CB 0.230 28.901 28.738 -0.112 0.000 1.115 607 Q HN 0.580 nan 8.270 nan 0.000 0.507 608 N N 1.474 120.025 118.700 -0.249 0.000 2.430 608 N HA 0.153 4.900 4.740 0.011 0.000 0.290 608 N C -1.127 174.300 175.510 -0.138 0.000 1.063 608 N CA -0.348 52.531 53.050 -0.285 0.000 0.883 608 N CB 1.993 40.033 38.487 -0.744 0.000 1.465 608 N HN -0.050 nan 8.380 nan 0.000 0.493 609 D N 0.787 121.153 120.400 -0.056 0.000 2.449 609 D HA -0.060 4.587 4.640 0.011 0.000 0.236 609 D C 0.591 176.916 176.300 0.042 0.000 1.149 609 D CA 0.766 54.764 54.000 -0.003 0.000 0.878 609 D CB 0.935 41.740 40.800 0.008 0.000 1.198 609 D HN 0.264 nan 8.370 nan 0.000 0.446 610 S N 0.113 115.843 115.700 0.051 0.000 2.558 610 S HA 0.283 4.759 4.470 0.011 0.000 0.288 610 S C 1.354 176.003 174.600 0.082 0.000 1.318 610 S CA 0.780 59.028 58.200 0.079 0.000 1.056 610 S CB 0.399 63.631 63.200 0.055 0.000 0.853 610 S HN 0.676 nan 8.310 nan 0.000 0.505 611 G N 2.952 111.812 108.800 0.100 0.000 2.225 611 G HA2 -0.237 3.729 3.960 0.011 0.000 0.254 611 G HA3 -0.237 3.729 3.960 0.011 0.000 0.254 611 G C 0.297 175.258 174.900 0.103 0.000 0.988 611 G CA 0.300 45.448 45.100 0.081 0.000 0.625 611 G HN 0.953 nan 8.290 nan 0.000 0.527 612 T N 1.576 116.222 114.554 0.152 0.000 2.928 612 T HA 0.362 4.718 4.350 0.011 0.000 0.305 612 T C 0.767 175.599 174.700 0.220 0.000 1.035 612 T CA 0.168 62.379 62.100 0.184 0.000 1.145 612 T CB 1.095 70.093 68.868 0.216 0.000 0.963 612 T HN 0.566 nan 8.240 nan 0.000 0.545 613 R N 1.873 122.453 120.500 0.132 0.000 2.489 613 R HA 0.044 4.390 4.340 0.011 0.000 0.287 613 R C 0.576 176.906 176.300 0.049 0.000 1.053 613 R CA -0.141 55.991 56.100 0.054 0.000 1.036 613 R CB 0.153 30.454 30.300 0.002 0.000 0.966 613 R HN 0.794 nan 8.270 nan 0.000 0.432 614 Y N 2.632 122.771 120.300 -0.268 0.000 2.163 614 Y HA 0.070 4.626 4.550 0.010 0.000 0.288 614 Y C 0.938 176.582 175.900 -0.427 0.000 1.112 614 Y CA 1.250 59.038 58.100 -0.520 0.000 1.104 614 Y CB 0.160 38.218 38.460 -0.669 0.000 1.016 614 Y HN 0.498 nan 8.280 nan 0.000 0.497 615 S N 0.780 116.067 115.700 -0.688 0.000 2.592 615 S HA 0.162 4.638 4.470 0.011 0.000 0.305 615 S C 0.958 175.087 174.600 -0.785 0.000 1.118 615 S CA 0.108 57.674 58.200 -1.057 0.000 1.075 615 S CB -0.206 62.394 63.200 -1.000 0.000 1.107 615 S HN 0.599 nan 8.310 nan 0.000 0.503 616 T N 2.049 116.243 114.554 -0.600 0.000 2.915 616 T HA -0.113 4.243 4.350 0.011 0.000 0.269 616 T C 1.334 175.941 174.700 -0.154 0.000 1.071 616 T CA 1.027 62.974 62.100 -0.255 0.000 1.132 616 T CB -0.674 68.155 68.868 -0.065 0.000 0.878 616 T HN 0.732 nan 8.240 nan 0.000 0.479 617 F N 1.469 121.336 119.950 -0.137 0.000 2.780 617 F HA 0.412 4.945 4.527 0.010 0.000 0.299 617 F C 0.453 176.045 175.800 -0.345 0.000 1.146 617 F CA -0.687 57.191 58.000 -0.204 0.000 1.428 617 F CB -1.256 37.545 39.000 -0.332 0.000 1.115 617 F HN -0.123 nan 8.300 nan 0.000 0.583 618 T N 5.268 119.587 114.554 -0.393 0.000 2.728 618 T HA 0.251 4.607 4.350 0.011 0.000 0.296 618 T C -2.372 172.231 174.700 -0.162 0.000 0.940 618 T CA -1.326 60.617 62.100 -0.262 0.000 1.013 618 T CB 1.002 69.662 68.868 -0.348 0.000 0.912 618 T HN -0.022 nan 8.240 nan 0.000 0.484 619 P HA 0.179 nan 4.420 nan 0.000 0.271 619 P C 0.545 177.776 177.300 -0.115 0.000 1.218 619 P CA -0.380 62.712 63.100 -0.014 0.000 0.780 619 P CB 1.196 32.919 31.700 0.038 0.000 0.901 620 R N 0.744 121.175 120.500 -0.115 0.000 2.115 620 R HA -0.029 4.318 4.340 0.011 0.000 0.230 620 R C 0.761 176.771 176.300 -0.484 0.000 1.111 620 R CA 1.010 56.914 56.100 -0.326 0.000 0.976 620 R CB -0.251 29.917 30.300 -0.220 0.000 0.870 620 R HN 0.653 nan 8.270 nan 0.000 0.445 621 H N -0.262 118.826 119.070 0.029 0.000 2.529 621 H HA 0.343 4.906 4.556 0.010 0.000 0.348 621 H C -1.200 174.124 175.328 -0.008 0.000 1.079 621 H CA -0.892 55.198 56.048 0.071 0.000 1.198 621 H CB 2.073 31.970 29.762 0.224 0.000 1.521 621 H HN -0.109 nan 8.280 nan 0.000 0.514 622 L N 4.221 125.446 121.223 0.004 0.000 2.439 622 L HA 0.360 4.707 4.340 0.011 0.000 0.270 622 L C -1.835 175.064 176.870 0.049 0.000 0.972 622 L CA -0.693 54.139 54.840 -0.013 0.000 0.836 622 L CB 1.848 43.852 42.059 -0.091 0.000 1.255 622 L HN 0.456 nan 8.230 nan 0.000 0.404 623 L N 5.268 126.552 121.223 0.101 0.000 2.362 623 L HA 0.759 5.105 4.340 0.011 0.000 0.275 623 L C -1.215 175.708 176.870 0.087 0.000 0.998 623 L CA -0.212 54.716 54.840 0.147 0.000 0.820 623 L CB 1.292 43.457 42.059 0.177 0.000 1.270 623 L HN 0.549 nan 8.230 nan 0.000 0.415 624 R N 5.992 126.544 120.500 0.087 0.000 2.476 624 R HA 0.658 5.004 4.340 0.011 0.000 0.305 624 R C -1.697 174.665 176.300 0.103 0.000 0.965 624 R CA -0.552 55.596 56.100 0.079 0.000 0.867 624 R CB 1.776 32.103 30.300 0.045 0.000 1.176 624 R HN 0.791 nan 8.270 nan 0.000 0.447 625 L N 2.691 123.996 121.223 0.135 0.000 2.482 625 L HA 0.619 4.966 4.340 0.011 0.000 0.263 625 L C -1.825 175.200 176.870 0.258 0.000 0.957 625 L CA -0.541 54.390 54.840 0.151 0.000 0.836 625 L CB 2.543 44.667 42.059 0.108 0.000 1.324 625 L HN 0.726 nan 8.230 nan 0.000 0.406 626 W N 4.941 126.254 121.300 0.021 0.000 3.259 626 W HA 0.607 5.273 4.660 0.011 0.000 0.331 626 W C -2.060 174.484 176.519 0.041 0.000 1.144 626 W CA -0.489 56.873 57.345 0.028 0.000 1.227 626 W CB 2.262 31.725 29.460 0.004 0.000 1.371 626 W HN 0.577 nan 8.180 nan 0.000 0.491 627 S N 4.159 119.372 115.700 -0.813 0.000 2.540 627 S HA 0.498 4.975 4.470 0.011 0.000 0.275 627 S C -1.673 172.543 174.600 -0.639 0.000 1.123 627 S CA -0.495 57.433 58.200 -0.453 0.000 0.907 627 S CB 1.844 65.000 63.200 -0.072 0.000 1.081 627 S HN 0.527 nan 8.310 nan 0.000 0.476 628 N N 1.720 120.314 118.700 -0.177 0.000 2.260 628 N HA 0.571 5.317 4.740 0.011 0.000 0.293 628 N C -2.195 173.459 175.510 0.240 0.000 1.058 628 N CA -0.400 52.634 53.050 -0.026 0.000 0.824 628 N CB 1.377 39.937 38.487 0.122 0.000 1.551 628 N HN 0.561 nan 8.380 nan 0.000 0.475 629 Y N 1.873 122.172 120.300 -0.002 0.000 2.373 629 Y HA 0.400 4.957 4.550 0.011 0.000 0.336 629 Y C -1.363 174.541 175.900 0.006 0.000 0.979 629 Y CA -0.953 57.124 58.100 -0.038 0.000 1.080 629 Y CB 1.313 39.576 38.460 -0.327 0.000 1.190 629 Y HN 0.473 nan 8.280 nan 0.000 0.446 630 D N 7.348 127.491 120.400 -0.428 0.000 2.313 630 D HA 0.254 4.900 4.640 0.011 0.000 0.239 630 D C -0.116 175.698 176.300 -0.810 0.000 1.142 630 D CA 0.004 53.755 54.000 -0.414 0.000 0.847 630 D CB 1.451 42.081 40.800 -0.284 0.000 1.082 630 D HN 0.569 nan 8.370 nan 0.000 0.480 631 L N 3.555 124.479 121.223 -0.498 0.000 2.461 631 L HA 0.090 4.437 4.340 0.011 0.000 0.272 631 L C -1.176 175.420 176.870 -0.456 0.000 1.197 631 L CA -1.426 53.140 54.840 -0.458 0.000 0.836 631 L CB 0.197 42.269 42.059 0.021 0.000 1.105 631 L HN 0.073 nan 8.230 nan 0.000 0.477 632 P HA -0.164 nan 4.420 nan 0.000 0.211 632 P C 0.209 177.284 177.300 -0.374 0.000 1.179 632 P CA 0.741 63.490 63.100 -0.586 0.000 0.910 632 P CB -0.065 31.162 31.700 -0.788 0.000 0.785 633 W N 0.447 121.741 121.300 -0.009 0.000 2.555 633 W HA -0.104 4.559 4.660 0.005 0.000 0.342 633 W C 1.318 177.871 176.519 0.056 0.000 1.194 633 W CA 0.439 57.800 57.345 0.028 0.000 1.390 633 W CB -0.991 28.492 29.460 0.038 0.000 1.203 633 W HN 0.285 nan 8.180 nan 0.000 0.596 634 Q N -0.124 119.855 119.800 0.298 0.000 1.173 634 Q HA -0.269 4.077 4.340 0.011 0.000 0.334 634 Q C -0.268 175.770 176.000 0.064 0.000 1.010 634 Q CA 1.400 57.316 55.803 0.187 0.000 0.651 634 Q CB -1.298 27.584 28.738 0.240 0.000 4.566 634 Q HN 0.592 nan 8.270 nan 0.000 0.499 635 D N 2.010 122.408 120.400 -0.003 0.000 3.018 635 D HA 0.163 4.809 4.640 0.011 0.000 0.331 635 D C -0.186 176.030 176.300 -0.141 0.000 1.334 635 D CA -0.264 53.693 54.000 -0.072 0.000 0.900 635 D CB 0.322 41.080 40.800 -0.070 0.000 1.059 635 D HN 0.291 nan 8.370 nan 0.000 0.498 636 R N 0.242 120.647 120.500 -0.159 0.000 3.525 636 R HA -0.227 4.119 4.340 0.011 0.000 0.276 636 R C 1.269 177.466 176.300 -0.173 0.000 1.116 636 R CA 0.280 56.231 56.100 -0.249 0.000 0.745 636 R CB -2.239 27.777 30.300 -0.473 0.000 1.185 636 R HN 0.410 nan 8.270 nan 0.000 0.454 637 R N -0.570 119.867 120.500 -0.104 0.000 2.090 637 R HA -0.054 4.293 4.340 0.011 0.000 0.228 637 R C 0.240 176.372 176.300 -0.279 0.000 1.110 637 R CA 1.269 57.212 56.100 -0.262 0.000 0.973 637 R CB 0.156 30.276 30.300 -0.299 0.000 0.869 637 R HN 0.197 nan 8.270 nan 0.000 0.440 638 W N 0.448 121.758 121.300 0.017 0.000 2.449 638 W HA 0.324 4.988 4.660 0.007 0.000 0.331 638 W C -0.269 176.260 176.519 0.016 0.000 1.119 638 W CA -0.418 56.986 57.345 0.099 0.000 1.240 638 W CB 1.647 31.217 29.460 0.183 0.000 1.251 638 W HN -0.039 nan 8.180 nan 0.000 0.576 639 S N 1.119 117.008 115.700 0.314 0.000 2.564 639 S HA 0.801 5.277 4.470 0.011 0.000 0.274 639 S C -1.621 173.110 174.600 0.218 0.000 1.124 639 S CA -1.017 57.289 58.200 0.176 0.000 0.869 639 S CB 1.869 65.132 63.200 0.104 0.000 1.105 639 S HN 0.523 nan 8.310 nan 0.000 0.472 640 V N 0.942 120.954 119.914 0.164 0.000 2.760 640 V HA 0.911 5.038 4.120 0.011 0.000 0.309 640 V C -0.065 176.058 176.094 0.048 0.000 1.077 640 V CA 0.276 62.655 62.300 0.131 0.000 0.910 640 V CB 1.650 33.545 31.823 0.120 0.000 1.008 640 V HN 1.473 nan 8.190 nan 0.000 0.424 641 G N 3.054 111.846 108.800 -0.014 0.000 2.563 641 G HA2 0.843 4.809 3.960 0.011 0.000 0.302 641 G HA3 0.843 4.809 3.960 0.011 0.000 0.302 641 G C -0.558 174.099 174.900 -0.404 0.000 1.301 641 G CA -0.338 44.569 45.100 -0.321 0.000 0.965 641 G HN 1.413 nan 8.290 nan 0.000 0.480 642 G N -1.438 106.908 108.800 -0.756 0.000 2.720 642 G HA2 0.839 4.805 3.960 0.011 0.000 0.295 642 G HA3 0.839 4.805 3.960 0.011 0.000 0.295 642 G C -0.589 174.109 174.900 -0.337 0.000 1.437 642 G CA 0.175 45.069 45.100 -0.343 0.000 0.886 642 G HN 1.371 nan 8.290 nan 0.000 0.509 643 G N -1.218 107.645 108.800 0.105 0.000 2.682 643 G HA2 0.730 4.696 3.960 0.011 0.000 0.290 643 G HA3 0.730 4.696 3.960 0.011 0.000 0.290 643 G C -2.262 172.765 174.900 0.211 0.000 1.425 643 G CA -0.699 44.560 45.100 0.265 0.000 0.807 643 G HN 1.113 nan 8.290 nan 0.000 0.482 644 L N -0.540 120.796 121.223 0.188 0.000 2.455 644 L HA 0.646 4.992 4.340 0.011 0.000 0.264 644 L C -0.763 176.186 176.870 0.133 0.000 0.968 644 L CA -0.415 54.513 54.840 0.148 0.000 0.827 644 L CB 2.344 44.471 42.059 0.113 0.000 1.317 644 L HN 0.604 nan 8.230 nan 0.000 0.407 645 Q N 3.229 123.101 119.800 0.120 0.000 2.327 645 Q HA 0.878 5.224 4.340 0.011 0.000 0.270 645 Q C -1.276 174.755 176.000 0.051 0.000 1.022 645 Q CA -0.603 55.255 55.803 0.092 0.000 0.773 645 Q CB 2.268 31.074 28.738 0.113 0.000 1.251 645 Q HN 0.773 nan 8.270 nan 0.000 0.457 646 A N 2.880 125.695 122.820 -0.009 0.000 2.539 646 A HA 0.803 5.130 4.320 0.011 0.000 0.296 646 A C -1.550 175.942 177.584 -0.153 0.000 1.073 646 A CA -0.601 51.375 52.037 -0.101 0.000 0.700 646 A CB 1.920 20.912 19.000 -0.014 0.000 1.296 646 A HN 0.704 nan 8.150 nan 0.000 0.405 647 Q N -0.135 119.495 119.800 -0.285 0.000 2.647 647 Q HA 0.613 4.960 4.340 0.011 0.000 0.283 647 Q C -0.590 175.331 176.000 -0.131 0.000 0.943 647 Q CA -0.457 55.245 55.803 -0.169 0.000 0.813 647 Q CB 0.934 29.550 28.738 -0.205 0.000 1.477 647 Q HN 1.072 nan 8.270 nan 0.000 0.393 648 S N 0.384 116.109 115.700 0.041 0.000 2.640 648 S HA 0.228 4.704 4.470 0.011 0.000 0.262 648 S C 0.153 174.810 174.600 0.095 0.000 1.232 648 S CA -0.169 58.087 58.200 0.093 0.000 0.988 648 S CB 0.264 63.609 63.200 0.242 0.000 1.034 648 S HN 0.759 nan 8.310 nan 0.000 0.569 649 D N -0.493 119.973 120.400 0.110 0.000 2.371 649 D HA 0.249 4.896 4.640 0.011 0.000 0.242 649 D C -0.257 176.154 176.300 0.184 0.000 1.218 649 D CA -0.181 53.883 54.000 0.106 0.000 0.945 649 D CB 0.209 41.044 40.800 0.058 0.000 1.137 649 D HN 0.806 nan 8.370 nan 0.000 0.464 650 Y N -2.795 117.551 120.300 0.077 0.000 2.656 650 Y HA 0.525 5.081 4.550 0.010 0.000 0.334 650 Y C -1.349 174.592 175.900 0.067 0.000 1.179 650 Y CA -0.955 57.179 58.100 0.057 0.000 1.050 650 Y CB 1.055 39.560 38.460 0.075 0.000 1.308 650 Y HN 0.674 nan 8.280 nan 0.000 0.456 651 S N 0.418 116.271 115.700 0.254 0.000 2.625 651 S HA 0.890 5.366 4.470 0.011 0.000 0.271 651 S C -2.109 172.628 174.600 0.228 0.000 1.161 651 S CA -0.764 57.509 58.200 0.121 0.000 0.820 651 S CB 1.679 64.904 63.200 0.042 0.000 1.137 651 S HN 1.034 nan 8.310 nan 0.000 0.470 652 V N 1.310 121.312 119.914 0.148 0.000 2.733 652 V HA 0.518 4.644 4.120 0.011 0.000 0.306 652 V C -1.619 174.543 176.094 0.112 0.000 1.084 652 V CA -0.659 61.738 62.300 0.163 0.000 0.905 652 V CB 2.066 33.986 31.823 0.161 0.000 1.010 652 V HN 0.984 nan 8.190 nan 0.000 0.424 653 D N 3.111 123.586 120.400 0.124 0.000 2.308 653 D HA 0.408 5.055 4.640 0.011 0.000 0.242 653 D C -1.368 175.032 176.300 0.168 0.000 1.059 653 D CA -0.108 53.958 54.000 0.110 0.000 0.830 653 D CB 2.565 43.408 40.800 0.072 0.000 1.161 653 D HN 0.548 nan 8.370 nan 0.000 0.494 654 Y N 1.938 122.249 120.300 0.018 0.000 2.329 654 Y HA 0.178 4.734 4.550 0.011 0.000 0.328 654 Y C 0.205 176.113 175.900 0.013 0.000 0.992 654 Y CA -0.787 57.327 58.100 0.022 0.000 1.151 654 Y CB 0.859 39.328 38.460 0.015 0.000 1.150 654 Y HN 0.349 nan 8.280 nan 0.000 0.450 655 R N 4.410 124.688 120.500 -0.369 0.000 3.301 655 R HA -0.254 4.092 4.340 0.011 0.000 0.249 655 R C 1.034 177.282 176.300 -0.087 0.000 0.964 655 R CA 1.170 57.110 56.100 -0.267 0.000 0.653 655 R CB -1.802 28.280 30.300 -0.363 0.000 1.043 655 R HN 1.359 nan 8.270 nan 0.000 0.454 656 G N -1.907 106.867 108.800 -0.043 0.000 2.199 656 G HA2 -0.319 3.647 3.960 0.011 0.000 0.254 656 G HA3 -0.319 3.647 3.960 0.011 0.000 0.254 656 G C 0.168 175.076 174.900 0.013 0.000 0.982 656 G CA 0.023 45.116 45.100 -0.012 0.000 0.632 656 G HN 0.300 nan 8.290 nan 0.000 0.529 657 V N 2.017 121.956 119.914 0.041 0.000 2.398 657 V HA 0.696 4.823 4.120 0.011 0.000 0.286 657 V C 0.655 176.780 176.094 0.051 0.000 1.026 657 V CA -0.011 62.316 62.300 0.046 0.000 0.868 657 V CB 1.627 33.488 31.823 0.063 0.000 0.982 657 V HN 0.969 nan 8.190 nan 0.000 0.443 658 S N 5.947 121.661 115.700 0.024 0.000 2.509 658 S HA 0.867 5.343 4.470 0.011 0.000 0.297 658 S C -0.762 173.832 174.600 -0.009 0.000 1.118 658 S CA -0.771 57.441 58.200 0.020 0.000 1.074 658 S CB 1.429 64.638 63.200 0.016 0.000 1.038 658 S HN 0.582 nan 8.310 nan 0.000 0.498 659 M N 2.653 122.240 119.600 -0.022 0.000 2.393 659 M HA 0.537 5.023 4.480 0.011 0.000 0.299 659 M C -0.297 175.951 176.300 -0.087 0.000 1.103 659 M CA -0.444 54.810 55.300 -0.077 0.000 0.910 659 M CB 2.638 35.163 32.600 -0.123 0.000 1.659 659 M HN 0.771 nan 8.290 nan 0.000 0.445 660 R N 1.511 121.942 120.500 -0.114 0.000 2.795 660 R HA 0.629 4.976 4.340 0.011 0.000 0.275 660 R C -1.664 174.524 176.300 -0.186 0.000 0.981 660 R CA -0.658 55.353 56.100 -0.148 0.000 0.917 660 R CB 2.257 32.512 30.300 -0.075 0.000 1.202 660 R HN 0.667 nan 8.270 nan 0.000 0.469 661 Q N 1.153 120.755 119.800 -0.330 0.000 2.290 661 Q HA 0.409 4.755 4.340 0.011 0.000 0.269 661 Q C -0.921 175.022 176.000 -0.096 0.000 1.016 661 Q CA -0.445 55.228 55.803 -0.217 0.000 0.754 661 Q CB 1.962 30.415 28.738 -0.475 0.000 1.247 661 Q HN 0.808 nan 8.270 nan 0.000 0.451 662 G N 1.745 110.580 108.800 0.058 0.000 2.667 662 G HA2 0.444 4.410 3.960 0.011 0.000 0.250 662 G HA3 0.444 4.410 3.960 0.011 0.000 0.250 662 G C 0.147 175.150 174.900 0.172 0.000 1.212 662 G CA -0.175 44.981 45.100 0.093 0.000 0.874 662 G HN 0.762 nan 8.290 nan 0.000 0.561 663 G N -1.123 107.746 108.800 0.115 0.000 2.636 663 G HA2 0.529 4.495 3.960 0.011 0.000 0.246 663 G HA3 0.529 4.495 3.960 0.011 0.000 0.246 663 G C -0.660 174.321 174.900 0.134 0.000 1.216 663 G CA 0.499 45.636 45.100 0.061 0.000 0.854 663 G HN 1.271 nan 8.290 nan 0.000 0.572 664 Y N -2.746 117.571 120.300 0.030 0.000 2.741 664 Y HA 0.717 5.273 4.550 0.010 0.000 0.339 664 Y C -0.591 175.296 175.900 -0.022 0.000 1.226 664 Y CA -1.519 56.576 58.100 -0.008 0.000 1.072 664 Y CB 0.823 39.250 38.460 -0.054 0.000 1.331 664 Y HN 1.043 nan 8.280 nan 0.000 0.453 665 A N 2.003 124.965 122.820 0.236 0.000 2.422 665 A HA 0.827 5.154 4.320 0.011 0.000 0.302 665 A C -1.959 175.763 177.584 0.230 0.000 1.041 665 A CA -0.868 51.266 52.037 0.160 0.000 0.708 665 A CB 1.226 20.284 19.000 0.096 0.000 1.257 665 A HN 0.783 nan 8.150 nan 0.000 0.414 666 L N 1.874 123.218 121.223 0.201 0.000 2.346 666 L HA 0.722 5.068 4.340 0.011 0.000 0.274 666 L C -0.801 176.177 176.870 0.180 0.000 1.007 666 L CA -1.147 53.800 54.840 0.179 0.000 0.818 666 L CB 2.020 44.161 42.059 0.138 0.000 1.284 666 L HN 0.416 nan 8.230 nan 0.000 0.424 667 V N 1.990 122.013 119.914 0.181 0.000 2.495 667 V HA 0.484 4.610 4.120 0.011 0.000 0.298 667 V C -0.468 175.683 176.094 0.095 0.000 1.031 667 V CA -0.721 61.673 62.300 0.156 0.000 0.871 667 V CB 1.774 33.717 31.823 0.199 0.000 0.988 667 V HN 0.721 nan 8.190 nan 0.000 0.432 668 N N 4.947 123.741 118.700 0.156 0.000 2.292 668 N HA 0.763 5.509 4.740 0.011 0.000 0.303 668 N C -0.954 174.711 175.510 0.258 0.000 1.140 668 N CA -0.610 52.560 53.050 0.201 0.000 0.788 668 N CB 2.516 41.167 38.487 0.273 0.000 1.361 668 N HN 0.517 nan 8.380 nan 0.000 0.489 669 M N 0.565 120.314 119.600 0.248 0.000 2.569 669 M HA 0.452 4.938 4.480 0.011 0.000 0.279 669 M C -0.866 175.613 176.300 0.298 0.000 1.253 669 M CA -0.639 54.797 55.300 0.227 0.000 0.867 669 M CB 3.760 36.416 32.600 0.094 0.000 1.727 669 M HN 0.404 nan 8.290 nan 0.000 0.467 670 R N 1.300 121.971 120.500 0.283 0.000 2.651 670 R HA 0.798 5.145 4.340 0.011 0.000 0.278 670 R C -2.366 174.058 176.300 0.207 0.000 1.010 670 R CA -0.565 55.707 56.100 0.286 0.000 0.896 670 R CB 2.082 32.658 30.300 0.460 0.000 1.211 670 R HN 0.793 nan 8.270 nan 0.000 0.456 671 L N 3.136 124.480 121.223 0.201 0.000 2.376 671 L HA 0.610 4.956 4.340 0.011 0.000 0.275 671 L C -0.028 176.981 176.870 0.233 0.000 0.987 671 L CA -0.845 54.132 54.840 0.228 0.000 0.828 671 L CB 2.221 44.414 42.059 0.223 0.000 1.249 671 L HN 0.875 nan 8.230 nan 0.000 0.409 672 G N 1.458 110.404 108.800 0.243 0.000 2.453 672 G HA2 0.571 4.537 3.960 0.011 0.000 0.323 672 G HA3 0.571 4.537 3.960 0.011 0.000 0.323 672 G C -2.269 172.709 174.900 0.131 0.000 1.198 672 G CA -0.316 44.887 45.100 0.171 0.000 0.959 672 G HN 0.416 nan 8.290 nan 0.000 0.482 673 Y N 0.713 120.920 120.300 -0.155 0.000 2.330 673 Y HA 0.432 4.988 4.550 0.009 0.000 0.324 673 Y C -0.236 175.506 175.900 -0.264 0.000 1.093 673 Y CA -0.989 56.855 58.100 -0.426 0.000 1.103 673 Y CB 1.622 39.706 38.460 -0.628 0.000 1.183 673 Y HN 0.377 nan 8.280 nan 0.000 0.433 674 K N 7.465 127.353 120.400 -0.853 0.000 2.292 674 K HA 0.255 4.581 4.320 0.011 0.000 0.290 674 K C 0.851 176.986 176.600 -0.775 0.000 1.083 674 K CA 0.009 55.941 56.287 -0.590 0.000 0.918 674 K CB 0.741 32.993 32.500 -0.414 0.000 1.089 674 K HN 0.820 nan 8.250 nan 0.000 0.473 675 I N 1.790 122.140 120.570 -0.367 0.000 2.226 675 I HA -0.302 3.875 4.170 0.011 0.000 0.245 675 I C 0.810 176.871 176.117 -0.093 0.000 1.100 675 I CA 1.393 62.612 61.300 -0.135 0.000 1.374 675 I CB -0.152 37.904 38.000 0.093 0.000 1.057 675 I HN 0.732 nan 8.210 nan 0.000 0.413 676 D N -2.345 118.024 120.400 -0.051 0.000 2.970 676 D HA 0.048 4.694 4.640 0.011 0.000 0.344 676 D C 0.284 176.502 176.300 -0.137 0.000 1.365 676 D CA -0.628 53.340 54.000 -0.054 0.000 0.910 676 D CB 0.177 41.015 40.800 0.064 0.000 1.445 676 D HN -0.113 nan 8.370 nan 0.000 0.532 677 E N -1.496 118.567 120.200 -0.228 0.000 2.265 677 E HA -0.147 4.210 4.350 0.011 0.000 0.196 677 E C 1.040 177.326 176.600 -0.525 0.000 0.996 677 E CA 1.006 57.174 56.400 -0.387 0.000 0.832 677 E CB -0.074 29.329 29.700 -0.494 0.000 0.756 677 E HN 0.361 nan 8.360 nan 0.000 0.491 678 H N -2.124 116.805 119.070 -0.235 0.000 2.557 678 H HA 0.077 4.640 4.556 0.012 0.000 0.281 678 H C -0.012 174.876 175.328 -0.734 0.000 0.990 678 H CA 0.303 55.980 56.048 -0.618 0.000 1.278 678 H CB 0.074 29.349 29.762 -0.812 0.000 1.451 678 H HN 0.059 nan 8.280 nan 0.000 0.516 679 W N 1.928 123.190 121.300 -0.064 0.000 2.478 679 W HA 0.431 5.096 4.660 0.009 0.000 0.318 679 W C -0.319 176.150 176.519 -0.083 0.000 1.062 679 W CA -0.386 56.931 57.345 -0.047 0.000 1.210 679 W CB 1.295 30.770 29.460 0.025 0.000 1.325 679 W HN -0.286 nan 8.180 nan 0.000 0.496 680 T N 2.623 117.296 114.554 0.199 0.000 2.841 680 T HA 0.675 5.032 4.350 0.011 0.000 0.285 680 T C -0.372 174.418 174.700 0.151 0.000 0.991 680 T CA -0.542 61.611 62.100 0.088 0.000 0.966 680 T CB 1.204 70.086 68.868 0.024 0.000 0.962 680 T HN 0.474 nan 8.240 nan 0.000 0.438 681 A N 2.412 125.310 122.820 0.130 0.000 2.306 681 A HA 1.009 5.335 4.320 0.011 0.000 0.330 681 A C -0.250 177.414 177.584 0.133 0.000 1.146 681 A CA -0.696 51.428 52.037 0.146 0.000 0.827 681 A CB 0.917 20.005 19.000 0.147 0.000 1.178 681 A HN 1.204 nan 8.150 nan 0.000 0.490 682 A N 0.433 123.333 122.820 0.134 0.000 2.604 682 A HA 0.657 4.984 4.320 0.011 0.000 0.295 682 A C -1.472 176.192 177.584 0.133 0.000 1.067 682 A CA -0.376 51.743 52.037 0.138 0.000 0.683 682 A CB 1.171 20.252 19.000 0.135 0.000 1.281 682 A HN 1.366 nan 8.150 nan 0.000 0.407 683 V N 1.714 121.711 119.914 0.138 0.000 2.588 683 V HA 0.521 4.647 4.120 0.011 0.000 0.304 683 V C -0.615 175.559 176.094 0.134 0.000 1.042 683 V CA -0.671 61.706 62.300 0.127 0.000 0.877 683 V CB 1.973 33.859 31.823 0.105 0.000 0.996 683 V HN 0.922 nan 8.190 nan 0.000 0.425 684 N N 2.033 120.806 118.700 0.123 0.000 2.272 684 N HA 0.813 5.560 4.740 0.011 0.000 0.305 684 N C -1.345 174.226 175.510 0.101 0.000 1.103 684 N CA -0.445 52.670 53.050 0.109 0.000 0.791 684 N CB 2.442 40.956 38.487 0.045 0.000 1.356 684 N HN 0.421 nan 8.380 nan 0.000 0.486 685 V N 1.688 121.658 119.914 0.092 0.000 2.686 685 V HA 0.507 4.634 4.120 0.011 0.000 0.306 685 V C -0.919 175.204 176.094 0.048 0.000 1.065 685 V CA -0.807 61.532 62.300 0.065 0.000 0.894 685 V CB 1.827 33.677 31.823 0.044 0.000 1.004 685 V HN 0.633 nan 8.190 nan 0.000 0.424 686 N N 2.943 121.659 118.700 0.027 0.000 2.314 686 N HA 0.477 5.223 4.740 0.011 0.000 0.304 686 N C 0.022 175.556 175.510 0.039 0.000 1.073 686 N CA -0.525 52.549 53.050 0.039 0.000 0.822 686 N CB 1.033 39.540 38.487 0.033 0.000 1.280 686 N HN 0.723 nan 8.380 nan 0.000 0.489 687 N N 1.109 119.843 118.700 0.056 0.000 2.696 687 N HA -0.175 4.571 4.740 0.011 0.000 0.256 687 N C 0.430 175.931 175.510 -0.015 0.000 1.031 687 N CA 0.035 53.122 53.050 0.063 0.000 0.730 687 N CB -0.761 37.787 38.487 0.102 0.000 0.894 687 N HN 0.645 nan 8.380 nan 0.000 0.544 688 L N 0.162 121.306 121.223 -0.132 0.000 2.089 688 L HA -0.046 4.300 4.340 0.011 0.000 0.213 688 L C 1.418 178.005 176.870 -0.472 0.000 1.079 688 L CA 2.057 56.678 54.840 -0.366 0.000 0.758 688 L CB -0.477 41.207 42.059 -0.625 0.000 0.891 688 L HN 0.391 nan 8.230 nan 0.000 0.433 689 F N -0.177 119.809 119.950 0.060 0.000 2.692 689 F HA 0.197 4.731 4.527 0.010 0.000 0.303 689 F C 0.923 176.749 175.800 0.044 0.000 1.114 689 F CA -0.168 57.861 58.000 0.048 0.000 1.361 689 F CB -0.996 38.032 39.000 0.046 0.000 1.063 689 F HN 0.114 nan 8.300 nan 0.000 0.550 690 D N 1.293 121.766 120.400 0.121 0.000 2.686 690 D HA -0.276 4.370 4.640 0.011 0.000 0.235 690 D C 0.399 176.754 176.300 0.091 0.000 1.160 690 D CA 0.248 54.301 54.000 0.089 0.000 0.645 690 D CB -0.545 40.298 40.800 0.071 0.000 1.039 690 D HN 0.121 nan 8.370 nan 0.000 0.423 691 R N 0.121 120.695 120.500 0.124 0.000 2.537 691 R HA 0.359 4.705 4.340 0.011 0.000 0.280 691 R C -0.463 175.899 176.300 0.103 0.000 1.058 691 R CA 0.253 56.420 56.100 0.112 0.000 1.057 691 R CB 0.582 30.940 30.300 0.095 0.000 0.973 691 R HN 0.050 nan 8.270 nan 0.000 0.438 692 T N 6.269 120.845 114.554 0.037 0.000 2.767 692 T HA 0.496 4.853 4.350 0.011 0.000 0.288 692 T C -1.221 173.490 174.700 0.019 0.000 0.963 692 T CA -0.029 62.022 62.100 -0.081 0.000 1.019 692 T CB 0.206 68.990 68.868 -0.140 0.000 0.923 692 T HN 0.550 nan 8.240 nan 0.000 0.468 693 Y N 0.870 121.033 120.300 -0.228 0.000 2.713 693 Y HA 0.612 5.169 4.550 0.010 0.000 0.335 693 Y C -2.184 173.622 175.900 -0.157 0.000 1.222 693 Y CA -2.043 55.926 58.100 -0.219 0.000 1.061 693 Y CB 0.648 38.818 38.460 -0.484 0.000 1.314 693 Y HN 0.433 nan 8.280 nan 0.000 0.453 694 Y N 2.137 122.512 120.300 0.126 0.000 2.341 694 Y HA 0.292 4.849 4.550 0.011 0.000 0.340 694 Y C 1.420 177.482 175.900 0.270 0.000 0.997 694 Y CA -0.222 57.917 58.100 0.066 0.000 1.149 694 Y CB 1.856 40.342 38.460 0.043 0.000 1.171 694 Y HN 0.813 nan 8.280 nan 0.000 0.494 695 Q N 2.268 122.206 119.800 0.230 0.000 2.167 695 Q HA -0.040 4.307 4.340 0.011 0.000 0.202 695 Q C -0.272 175.909 176.000 0.303 0.000 0.970 695 Q CA 1.183 57.181 55.803 0.325 0.000 0.855 695 Q CB 0.295 29.150 28.738 0.195 0.000 0.911 695 Q HN 0.651 nan 8.270 nan 0.000 0.438 696 S N -1.995 113.867 115.700 0.270 0.000 2.547 696 S HA 0.633 5.110 4.470 0.011 0.000 0.270 696 S C -1.093 173.584 174.600 0.129 0.000 1.150 696 S CA -1.129 57.172 58.200 0.167 0.000 0.850 696 S CB 0.874 64.078 63.200 0.007 0.000 1.118 696 S HN 0.141 nan 8.310 nan 0.000 0.461 697 L N 1.782 123.068 121.223 0.104 0.000 2.341 697 L HA 0.825 5.171 4.340 0.011 0.000 0.267 697 L C 0.755 177.578 176.870 -0.079 0.000 1.009 697 L CA -0.295 54.522 54.840 -0.039 0.000 0.819 697 L CB 2.367 44.435 42.059 0.014 0.000 1.323 697 L HN 1.113 nan 8.230 nan 0.000 0.425 698 S N -0.342 115.274 115.700 -0.140 0.000 2.961 698 S HA 0.163 4.640 4.470 0.011 0.000 0.253 698 S C -0.212 174.244 174.600 -0.240 0.000 1.029 698 S CA -0.306 57.808 58.200 -0.143 0.000 1.087 698 S CB 0.434 63.538 63.200 -0.160 0.000 0.932 698 S HN 0.619 nan 8.310 nan 0.000 0.418 699 N N 1.262 119.784 118.700 -0.297 0.000 2.493 699 N HA 0.412 5.158 4.740 0.011 0.000 0.279 699 N C -2.817 172.501 175.510 -0.320 0.000 1.082 699 N CA -1.503 51.253 53.050 -0.491 0.000 0.963 699 N CB 2.335 40.526 38.487 -0.493 0.000 1.627 699 N HN -0.005 nan 8.380 nan 0.000 0.499 700 P HA -0.076 nan 4.420 nan 0.000 0.222 700 P C 0.541 177.664 177.300 -0.294 0.000 1.147 700 P CA 1.015 63.979 63.100 -0.227 0.000 0.790 700 P CB 0.565 32.181 31.700 -0.140 0.000 0.780 701 N N -0.978 117.473 118.700 -0.416 0.000 2.331 701 N HA -0.039 4.707 4.740 0.011 0.000 0.180 701 N C 0.823 176.033 175.510 -0.499 0.000 1.019 701 N CA 1.063 53.681 53.050 -0.720 0.000 0.881 701 N CB -0.085 37.533 38.487 -1.448 0.000 0.972 701 N HN 0.388 nan 8.380 nan 0.000 0.435 702 W N -1.299 119.718 121.300 -0.471 0.000 2.988 702 W HA 0.229 4.895 4.660 0.011 0.000 0.379 702 W C -0.826 175.512 176.519 -0.302 0.000 1.002 702 W CA -1.186 55.951 57.345 -0.347 0.000 1.053 702 W CB -0.672 28.639 29.460 -0.249 0.000 1.492 702 W HN 0.039 nan 8.180 nan 0.000 0.554 703 N N 0.593 119.107 118.700 -0.309 0.000 2.776 703 N HA -0.215 4.531 4.740 0.011 0.000 0.250 703 N C -0.934 174.386 175.510 -0.317 0.000 1.112 703 N CA 1.295 54.051 53.050 -0.491 0.000 0.733 703 N CB -1.344 36.756 38.487 -0.644 0.000 1.097 703 N HN 0.530 nan 8.380 nan 0.000 0.558 704 N N 0.836 119.370 118.700 -0.277 0.000 2.487 704 N HA 0.360 5.106 4.740 0.011 0.000 0.292 704 N C -0.407 174.998 175.510 -0.175 0.000 1.108 704 N CA -0.104 52.799 53.050 -0.245 0.000 0.956 704 N CB 0.803 39.063 38.487 -0.377 0.000 1.176 704 N HN 0.121 nan 8.380 nan 0.000 0.484 705 R N 1.886 122.369 120.500 -0.028 0.000 2.451 705 R HA 0.282 4.628 4.340 0.011 0.000 0.307 705 R C -0.712 175.663 176.300 0.124 0.000 0.965 705 R CA -0.664 55.442 56.100 0.010 0.000 0.865 705 R CB 0.515 30.831 30.300 0.026 0.000 1.174 705 R HN 0.507 nan 8.270 nan 0.000 0.455 706 Y N 0.419 120.752 120.300 0.055 0.000 2.457 706 Y HA 0.236 4.792 4.550 0.011 0.000 0.341 706 Y C 1.647 177.426 175.900 -0.202 0.000 1.240 706 Y CA 0.818 58.801 58.100 -0.196 0.000 1.437 706 Y CB 0.601 38.987 38.460 -0.123 0.000 1.328 706 Y HN 0.683 nan 8.280 nan 0.000 0.588 707 G N 1.388 109.871 108.800 -0.530 0.000 2.504 707 G HA2 0.256 4.223 3.960 0.011 0.000 0.288 707 G HA3 0.256 4.223 3.960 0.011 0.000 0.288 707 G C -0.846 173.668 174.900 -0.643 0.000 1.182 707 G CA -0.770 43.907 45.100 -0.704 0.000 0.894 707 G HN 0.627 nan 8.290 nan 0.000 0.521 708 E N 1.020 121.001 120.200 -0.365 0.000 2.414 708 E HA 0.085 4.442 4.350 0.011 0.000 0.263 708 E C -1.864 174.481 176.600 -0.424 0.000 1.000 708 E CA -0.922 55.130 56.400 -0.580 0.000 0.914 708 E CB 0.826 30.482 29.700 -0.072 0.000 0.948 708 E HN 0.194 nan 8.360 nan 0.000 0.444 709 P HA -0.004 nan 4.420 nan 0.000 0.286 709 P C -0.444 176.919 177.300 0.105 0.000 1.293 709 P CA -0.434 62.574 63.100 -0.153 0.000 0.770 709 P CB 0.436 32.098 31.700 -0.064 0.000 1.206 710 R N 0.643 121.200 120.500 0.096 0.000 2.583 710 R HA 0.167 4.513 4.340 0.011 0.000 0.274 710 R C -0.322 175.995 176.300 0.027 0.000 0.998 710 R CA 0.808 56.947 56.100 0.065 0.000 1.081 710 R CB -0.281 30.041 30.300 0.037 0.000 0.940 710 R HN 0.393 nan 8.270 nan 0.000 0.413 711 S N 3.963 119.637 115.700 -0.043 0.000 2.536 711 S HA 0.645 5.121 4.470 0.011 0.000 0.287 711 S C -1.226 173.254 174.600 -0.199 0.000 1.101 711 S CA -0.905 57.126 58.200 -0.282 0.000 0.950 711 S CB 0.796 63.941 63.200 -0.092 0.000 1.056 711 S HN 0.472 nan 8.310 nan 0.000 0.481 712 F N 2.260 122.085 119.950 -0.207 0.000 2.561 712 F HA 0.841 5.374 4.527 0.011 0.000 0.321 712 F C -0.549 175.185 175.800 -0.110 0.000 1.065 712 F CA -1.148 56.776 58.000 -0.128 0.000 0.934 712 F CB 1.087 40.010 39.000 -0.128 0.000 1.215 712 F HN 0.570 nan 8.300 nan 0.000 0.471 713 N N 0.971 119.787 118.700 0.194 0.000 2.369 713 N HA 0.635 5.381 4.740 0.011 0.000 0.287 713 N C -2.252 173.369 175.510 0.186 0.000 1.067 713 N CA -0.523 52.612 53.050 0.142 0.000 0.888 713 N CB 2.328 40.849 38.487 0.057 0.000 1.616 713 N HN 0.614 nan 8.380 nan 0.000 0.482 714 V N 2.090 122.118 119.914 0.191 0.000 2.513 714 V HA 0.744 4.870 4.120 0.011 0.000 0.299 714 V C -0.318 175.870 176.094 0.158 0.000 1.035 714 V CA -0.499 61.894 62.300 0.156 0.000 0.889 714 V CB 1.332 33.235 31.823 0.133 0.000 0.988 714 V HN 0.837 nan 8.190 nan 0.000 0.440 715 S N 4.710 120.503 115.700 0.155 0.000 2.595 715 S HA 0.870 5.346 4.470 0.011 0.000 0.281 715 S C -1.345 173.358 174.600 0.171 0.000 1.117 715 S CA -0.801 57.504 58.200 0.175 0.000 0.873 715 S CB 2.153 65.474 63.200 0.202 0.000 1.108 715 S HN 0.653 nan 8.310 nan 0.000 0.477 716 L N 1.456 122.797 121.223 0.197 0.000 2.376 716 L HA 0.667 5.013 4.340 0.011 0.000 0.275 716 L C -0.855 176.209 176.870 0.322 0.000 0.987 716 L CA -0.339 54.651 54.840 0.250 0.000 0.828 716 L CB 1.564 43.748 42.059 0.209 0.000 1.249 716 L HN 0.879 nan 8.230 nan 0.000 0.409 717 R N 3.277 123.965 120.500 0.312 0.000 2.534 717 R HA 0.808 5.154 4.340 0.011 0.000 0.301 717 R C -0.463 175.892 176.300 0.090 0.000 0.961 717 R CA -0.789 55.439 56.100 0.213 0.000 0.871 717 R CB 2.088 32.461 30.300 0.122 0.000 1.170 717 R HN 0.846 nan 8.270 nan 0.000 0.446 718 G N 0.621 109.322 108.800 -0.164 0.000 2.452 718 G HA2 0.682 4.649 3.960 0.011 0.000 0.324 718 G HA3 0.682 4.649 3.960 0.011 0.000 0.324 718 G C -1.365 173.075 174.900 -0.766 0.000 1.214 718 G CA -0.499 44.045 45.100 -0.926 0.000 0.947 718 G HN 0.609 nan 8.290 nan 0.000 0.478 719 A N 1.079 123.187 122.820 -1.187 0.000 2.359 719 A HA 0.893 5.219 4.320 0.011 0.000 0.303 719 A C -1.289 175.705 177.584 -0.983 0.000 1.066 719 A CA -0.590 51.018 52.037 -0.715 0.000 0.730 719 A CB 0.914 19.706 19.000 -0.346 0.000 1.211 719 A HN 0.586 nan 8.150 nan 0.000 0.439 720 F N 0.000 119.903 119.950 -0.079 0.000 2.286 720 F HA 0.000 4.533 4.527 0.011 0.000 0.279 720 F CA 0.000 57.991 58.000 -0.016 0.000 1.383 720 F CB 0.000 38.950 39.000 -0.084 0.000 1.145 720 F HN 0.000 nan 8.300 nan 0.000 0.574