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 3fg0_1_E DATA FIRST_RESID -4 DATA SEQUENCE FQSNAMELLK HLSQRQYIDG EWVESANKNT RDIINPYNQE VIFTVSEGTK DATA SEQUENCE EDAERAILAA RRAFESGEWS QETAETRGKK VRAIADKIKE HREALARLET DATA SEQUENCE LDTGKTLEES YADMDDIHNV FMYFAGLADK DGGEMIDSPI PDTESKIVKE DATA SEQUENCE PVGVVTQITP WNYPLLQASW KIAPALATGC SLVMKPSEIT PLTTIRVFEL DATA SEQUENCE MEEVGFPKGT INLILGAGSE VGDVMSGHKE VDLVSFTGGI ETGKHIMKNA DATA SEQUENCE ANNVTNIALE LGGKNPNIIF DDADFELAVD QALNGGYFHA GQVCSAGSRI DATA SEQUENCE LVQNSIKDKF EQALIDRVKK IKLGNGFDAD TEMGPVISTE HRNKIESYMD DATA SEQUENCE VAKAEGATIA VGGKRPDRDD LKDGLFFEPT VITNCDTSMR IVQEEVFGPV DATA SEQUENCE VTVEGFETEQ EAIQLANDSI YGLAGAVFSK DIGKAQRVAN KLKLGTVWIN DATA SEQUENCE DFHPYFAQAP WGGYKQSGIG RELGKEGLEE YLVSKHILTN TNPQLVNWFS DATA SEQUENCE K 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 -4 F HA 0.000 nan 4.527 nan 0.000 0.279 -4 F C 0.000 175.404 175.800 -0.659 0.000 0.967 -4 F CA 0.000 57.849 58.000 -0.251 0.000 1.383 -4 F CB 0.000 38.952 39.000 -0.079 0.000 1.145 -3 Q N 1.392 120.771 119.800 -0.702 0.000 2.046 -3 Q HA -0.138 4.202 4.340 -0.001 0.000 0.200 -3 Q C 2.094 177.843 176.000 -0.418 0.000 0.975 -3 Q CA 2.481 57.685 55.803 -0.998 0.000 0.836 -3 Q CB -0.001 28.371 28.738 -0.610 0.000 0.896 -3 Q HN 0.486 nan 8.270 nan 0.000 0.428 -2 S N 0.417 115.971 115.700 -0.244 0.000 2.382 -2 S HA -0.137 4.333 4.470 -0.001 0.000 0.228 -2 S C 1.536 176.062 174.600 -0.123 0.000 1.027 -2 S CA 1.323 59.441 58.200 -0.137 0.000 0.991 -2 S CB -0.453 62.688 63.200 -0.097 0.000 0.823 -2 S HN 0.379 nan 8.310 nan 0.000 0.469 -1 N N 2.764 121.374 118.700 -0.151 0.000 2.166 -1 N HA 0.125 4.865 4.740 -0.001 0.000 0.186 -1 N C 1.935 177.403 175.510 -0.070 0.000 1.019 -1 N CA 1.440 54.430 53.050 -0.100 0.000 0.856 -1 N CB -0.966 37.459 38.487 -0.103 0.000 0.993 -1 N HN 0.607 nan 8.380 nan 0.000 0.426 0 A N 0.994 123.743 122.820 -0.119 0.000 1.902 0 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 0 A C 2.112 179.679 177.584 -0.028 0.000 1.181 0 A CA 1.285 53.293 52.037 -0.049 0.000 0.623 0 A CB -0.370 18.599 19.000 -0.052 0.000 0.818 0 A HN 0.104 nan 8.150 nan 0.000 0.443 1 M N -0.369 119.201 119.600 -0.049 0.000 2.159 1 M HA -0.100 4.380 4.480 -0.001 0.000 0.263 1 M C 1.824 178.135 176.300 0.018 0.000 1.063 1 M CA 1.140 56.437 55.300 -0.005 0.000 1.110 1 M CB -1.328 31.269 32.600 -0.005 0.000 1.374 1 M HN 0.385 nan 8.290 nan 0.000 0.411 2 E N 0.559 120.767 120.200 0.013 0.000 2.153 2 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 2 E C 2.230 178.901 176.600 0.118 0.000 0.988 2 E CA 0.935 57.370 56.400 0.057 0.000 0.811 2 E CB -0.456 29.269 29.700 0.040 0.000 0.746 2 E HN 0.530 nan 8.360 nan 0.000 0.466 3 L N 0.316 121.576 121.223 0.061 0.000 2.131 3 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 3 L C 2.496 179.403 176.870 0.060 0.000 1.092 3 L CA 0.730 55.603 54.840 0.055 0.000 0.759 3 L CB -0.423 41.633 42.059 -0.005 0.000 0.903 3 L HN 0.111 nan 8.230 nan 0.000 0.435 4 L N -0.383 120.837 121.223 -0.004 0.000 2.265 4 L HA -0.196 4.143 4.340 -0.001 0.000 0.215 4 L C 2.466 179.395 176.870 0.098 0.000 1.117 4 L CA 1.094 55.882 54.840 -0.085 0.000 0.782 4 L CB -0.420 41.588 42.059 -0.085 0.000 0.914 4 L HN 0.251 nan 8.230 nan 0.000 0.441 5 K N -0.900 119.560 120.400 0.100 0.000 2.209 5 K HA -0.129 4.190 4.320 -0.001 0.000 0.204 5 K C 1.647 178.177 176.600 -0.117 0.000 1.048 5 K CA 0.913 57.202 56.287 0.004 0.000 0.940 5 K CB -0.092 32.358 32.500 -0.083 0.000 0.729 5 K HN 0.494 nan 8.250 nan 0.000 0.451 6 H N -0.499 118.576 119.070 0.009 0.000 2.575 6 H HA 0.076 4.632 4.556 -0.001 0.000 0.267 6 H C 0.116 175.415 175.328 -0.048 0.000 0.966 6 H CA -0.197 55.838 56.048 -0.022 0.000 1.165 6 H CB 0.300 30.039 29.762 -0.038 0.000 1.433 6 H HN 0.015 nan 8.280 nan 0.000 0.544 7 L N 1.708 122.971 121.223 0.067 0.000 2.349 7 L HA 0.132 4.472 4.340 -0.001 0.000 0.275 7 L C 0.699 177.624 176.870 0.093 0.000 1.115 7 L CA 0.024 54.859 54.840 -0.008 0.000 0.820 7 L CB 1.451 43.386 42.059 -0.207 0.000 1.135 7 L HN -0.089 nan 8.230 nan 0.000 0.445 8 S N 2.680 118.326 115.700 -0.089 0.000 2.568 8 S HA 0.066 4.536 4.470 -0.001 0.000 0.282 8 S C 0.638 175.331 174.600 0.155 0.000 1.338 8 S CA 0.142 58.250 58.200 -0.154 0.000 1.045 8 S CB 0.470 63.245 63.200 -0.710 0.000 0.873 8 S HN 0.809 nan 8.310 nan 0.000 0.516 9 Q N 1.702 121.557 119.800 0.092 0.000 2.247 9 Q HA 0.231 4.570 4.340 -0.001 0.000 0.211 9 Q C 0.199 176.265 176.000 0.111 0.000 0.861 9 Q CA 0.045 55.883 55.803 0.059 0.000 0.949 9 Q CB 0.588 29.230 28.738 -0.159 0.000 1.115 9 Q HN 0.530 nan 8.270 nan 0.000 0.507 10 R N 0.033 120.661 120.500 0.213 0.000 2.856 10 R HA 0.371 4.711 4.340 -0.001 0.000 0.258 10 R C -0.227 176.321 176.300 0.413 0.000 1.066 10 R CA -0.596 55.684 56.100 0.299 0.000 1.045 10 R CB 1.129 31.650 30.300 0.368 0.000 1.178 10 R HN 0.060 nan 8.270 nan 0.000 0.499 11 Q N 0.379 120.322 119.800 0.238 0.000 2.317 11 Q HA 0.140 4.480 4.340 -0.001 0.000 0.229 11 Q C -1.199 174.808 176.000 0.011 0.000 0.984 11 Q CA -0.081 55.778 55.803 0.093 0.000 0.911 11 Q CB 0.772 29.511 28.738 0.000 0.000 1.217 11 Q HN 0.441 nan 8.270 nan 0.000 0.501 12 Y N 1.407 121.450 120.300 -0.430 0.000 2.363 12 Y HA 0.463 5.013 4.550 -0.001 0.000 0.325 12 Y C -1.434 174.220 175.900 -0.409 0.000 0.984 12 Y CA -0.542 57.131 58.100 -0.711 0.000 1.248 12 Y CB 0.526 38.254 38.460 -1.220 0.000 1.116 12 Y HN 0.427 nan 8.280 nan 0.000 0.470 13 I N 5.453 125.648 120.570 -0.625 0.000 2.478 13 I HA 0.229 4.398 4.170 -0.001 0.000 0.287 13 I C -0.531 175.308 176.117 -0.463 0.000 1.042 13 I CA -0.976 60.070 61.300 -0.423 0.000 1.067 13 I CB 1.827 39.688 38.000 -0.231 0.000 1.233 13 I HN 0.545 nan 8.210 nan 0.000 0.431 14 D N 5.364 125.545 120.400 -0.366 0.000 2.697 14 D HA -0.185 4.455 4.640 -0.001 0.000 0.238 14 D C 1.092 177.197 176.300 -0.325 0.000 1.152 14 D CA 1.693 55.540 54.000 -0.256 0.000 0.666 14 D CB -0.672 40.034 40.800 -0.156 0.000 1.037 14 D HN 1.133 nan 8.370 nan 0.000 0.423 15 G N -0.096 108.376 108.800 -0.546 0.000 2.162 15 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.260 15 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.260 15 G C 0.117 174.750 174.900 -0.446 0.000 0.976 15 G CA 0.695 45.537 45.100 -0.430 0.000 0.655 15 G HN 0.579 nan 8.290 nan 0.000 0.533 16 E N -1.484 118.320 120.200 -0.659 0.000 2.317 16 E HA 0.483 4.832 4.350 -0.001 0.000 0.270 16 E C -0.906 175.501 176.600 -0.321 0.000 0.885 16 E CA -1.091 55.136 56.400 -0.288 0.000 0.760 16 E CB 1.224 30.850 29.700 -0.123 0.000 1.227 16 E HN 0.236 nan 8.360 nan 0.000 0.434 17 W N 2.664 124.031 121.300 0.112 0.000 2.345 17 W HA 0.353 5.013 4.660 -0.001 0.000 0.308 17 W C -0.202 176.350 176.519 0.055 0.000 1.273 17 W CA -0.292 57.149 57.345 0.159 0.000 1.243 17 W CB 0.860 30.432 29.460 0.187 0.000 1.260 17 W HN 0.206 nan 8.180 nan 0.000 0.509 18 V N 0.220 120.258 119.914 0.207 0.000 3.007 18 V HA 0.535 4.655 4.120 -0.001 0.000 0.311 18 V C -0.209 175.945 176.094 0.101 0.000 1.120 18 V CA -1.616 60.749 62.300 0.108 0.000 0.980 18 V CB 1.674 33.507 31.823 0.016 0.000 1.033 18 V HN 0.549 nan 8.190 nan 0.000 0.429 19 E N 1.064 121.306 120.200 0.070 0.000 2.405 19 E HA 0.380 4.729 4.350 -0.001 0.000 0.253 19 E C 0.191 176.808 176.600 0.029 0.000 1.257 19 E CA -0.296 56.135 56.400 0.050 0.000 0.960 19 E CB 0.795 30.515 29.700 0.032 0.000 1.077 19 E HN 0.876 nan 8.360 nan 0.000 0.512 20 S N -0.329 115.383 115.700 0.020 0.000 2.572 20 S HA 0.110 4.580 4.470 -0.001 0.000 0.279 20 S C 1.034 175.637 174.600 0.004 0.000 1.341 20 S CA 0.204 58.409 58.200 0.009 0.000 1.043 20 S CB 0.904 64.109 63.200 0.007 0.000 0.887 20 S HN 0.570 nan 8.310 nan 0.000 0.516 21 A N 3.798 126.618 122.820 -0.000 0.000 1.978 21 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 21 A C 1.585 179.169 177.584 0.000 0.000 1.170 21 A CA 2.010 54.046 52.037 -0.001 0.000 0.636 21 A CB -0.765 18.233 19.000 -0.004 0.000 0.810 21 A HN 0.972 nan 8.150 nan 0.000 0.448 22 N N -2.130 116.570 118.700 0.001 0.000 2.235 22 N HA 0.031 4.770 4.740 -0.001 0.000 0.209 22 N C 0.070 175.580 175.510 -0.000 0.000 1.122 22 N CA 0.398 53.448 53.050 0.001 0.000 0.845 22 N CB 0.296 38.784 38.487 0.001 0.000 1.004 22 N HN 0.200 nan 8.380 nan 0.000 0.499 23 K N -1.100 119.300 120.400 0.001 0.000 3.274 23 K HA -0.239 4.081 4.320 -0.001 0.000 0.305 23 K C -0.264 176.333 176.600 -0.005 0.000 1.225 23 K CA 0.572 56.858 56.287 -0.001 0.000 0.904 23 K CB -2.484 30.015 32.500 -0.003 0.000 1.227 23 K HN 0.516 nan 8.250 nan 0.000 0.453 24 N N 1.708 120.407 118.700 -0.003 0.000 2.453 24 N HA 0.139 4.879 4.740 -0.001 0.000 0.253 24 N C -0.073 175.433 175.510 -0.007 0.000 1.252 24 N CA 1.022 54.069 53.050 -0.004 0.000 0.917 24 N CB 0.730 39.216 38.487 -0.000 0.000 1.117 24 N HN 0.342 nan 8.380 nan 0.000 0.442 25 T N -0.911 113.636 114.554 -0.011 0.000 2.865 25 T HA 0.581 4.930 4.350 -0.001 0.000 0.294 25 T C -0.690 174.003 174.700 -0.012 0.000 1.119 25 T CA -1.060 61.029 62.100 -0.018 0.000 1.007 25 T CB 1.746 70.590 68.868 -0.040 0.000 1.225 25 T HN 0.606 nan 8.240 nan 0.000 0.515 26 R N 0.557 121.051 120.500 -0.011 0.000 2.621 26 R HA 0.493 4.832 4.340 -0.001 0.000 0.284 26 R C -1.730 174.571 176.300 0.002 0.000 0.998 26 R CA -0.567 55.535 56.100 0.003 0.000 0.895 26 R CB 1.531 31.844 30.300 0.021 0.000 1.195 26 R HN 0.677 nan 8.270 nan 0.000 0.450 27 D N 4.288 124.693 120.400 0.008 0.000 2.264 27 D HA 0.263 4.902 4.640 -0.001 0.000 0.250 27 D C 0.085 176.414 176.300 0.049 0.000 1.113 27 D CA -0.085 53.926 54.000 0.019 0.000 0.871 27 D CB 1.167 41.974 40.800 0.013 0.000 1.167 27 D HN 0.310 nan 8.370 nan 0.000 0.447 28 I N 3.097 123.721 120.570 0.090 0.000 2.392 28 I HA 0.394 4.564 4.170 -0.001 0.000 0.295 28 I C 0.661 176.836 176.117 0.097 0.000 0.985 28 I CA -0.817 60.550 61.300 0.111 0.000 1.221 28 I CB 1.094 39.207 38.000 0.188 0.000 1.366 28 I HN 0.345 nan 8.210 nan 0.000 0.467 29 I N 3.447 124.056 120.570 0.066 0.000 2.910 29 I HA 0.582 4.752 4.170 -0.001 0.000 0.310 29 I C -0.430 175.723 176.117 0.059 0.000 1.043 29 I CA -0.744 60.590 61.300 0.056 0.000 1.053 29 I CB 2.218 40.233 38.000 0.026 0.000 1.242 29 I HN 0.445 nan 8.210 nan 0.000 0.452 30 N N 5.157 123.901 118.700 0.073 0.000 2.426 30 N HA 0.431 5.170 4.740 -0.001 0.000 0.257 30 N C -2.020 173.530 175.510 0.068 0.000 1.002 30 N CA -2.750 50.356 53.050 0.094 0.000 0.942 30 N CB 1.422 39.999 38.487 0.150 0.000 1.112 30 N HN 0.417 nan 8.380 nan 0.000 0.499 31 P HA -0.106 nan 4.420 nan 0.000 0.226 31 P C 0.987 178.259 177.300 -0.048 0.000 1.153 31 P CA 0.687 63.766 63.100 -0.036 0.000 0.777 31 P CB -0.003 31.648 31.700 -0.082 0.000 0.794 32 Y N 3.117 123.383 120.300 -0.057 0.000 2.224 32 Y HA -0.175 4.375 4.550 -0.001 0.000 0.289 32 Y C 1.356 177.316 175.900 0.099 0.000 1.146 32 Y CA 2.191 60.296 58.100 0.009 0.000 1.182 32 Y CB -0.492 38.033 38.460 0.108 0.000 0.983 32 Y HN 0.047 nan 8.280 nan 0.000 0.524 33 N N -1.798 116.876 118.700 -0.042 0.000 2.118 33 N HA 0.047 4.786 4.740 -0.001 0.000 0.226 33 N C -0.108 175.387 175.510 -0.025 0.000 1.305 33 N CA 0.478 53.469 53.050 -0.098 0.000 0.890 33 N CB -0.213 38.294 38.487 0.033 0.000 1.118 33 N HN 0.385 nan 8.380 nan 0.000 0.511 34 Q N -0.587 119.210 119.800 -0.006 0.000 2.481 34 Q HA -0.164 4.176 4.340 -0.001 0.000 0.258 34 Q C -1.050 174.961 176.000 0.019 0.000 0.961 34 Q CA 1.009 56.811 55.803 -0.002 0.000 1.121 34 Q CB -1.144 27.583 28.738 -0.018 0.000 1.503 34 Q HN 0.479 nan 8.270 nan 0.000 0.544 35 E N 0.373 120.598 120.200 0.042 0.000 2.313 35 E HA 0.302 4.652 4.350 -0.001 0.000 0.272 35 E C 0.117 176.752 176.600 0.058 0.000 1.038 35 E CA -0.507 55.923 56.400 0.050 0.000 0.863 35 E CB 1.281 31.021 29.700 0.065 0.000 1.060 35 E HN 0.009 nan 8.360 nan 0.000 0.402 36 V N 4.233 124.178 119.914 0.052 0.000 2.521 36 V HA -0.003 4.117 4.120 -0.001 0.000 0.286 36 V C 1.449 177.594 176.094 0.086 0.000 1.034 36 V CA 0.477 62.814 62.300 0.062 0.000 1.045 36 V CB -0.079 31.770 31.823 0.043 0.000 0.974 36 V HN 0.605 nan 8.190 nan 0.000 0.480 37 I N 1.301 121.944 120.570 0.122 0.000 4.323 37 I HA 0.525 4.695 4.170 -0.001 0.000 0.328 37 I C 0.098 176.379 176.117 0.275 0.000 1.310 37 I CA 0.388 61.782 61.300 0.156 0.000 1.186 37 I CB 0.634 38.716 38.000 0.136 0.000 1.130 37 I HN 0.460 nan 8.210 nan 0.000 0.411 38 F N 0.788 120.754 119.950 0.027 0.000 2.719 38 F HA 0.616 5.142 4.527 -0.001 0.000 0.309 38 F C -1.456 174.356 175.800 0.019 0.000 1.138 38 F CA -0.490 57.524 58.000 0.022 0.000 0.943 38 F CB 2.140 41.157 39.000 0.028 0.000 1.304 38 F HN -0.276 nan 8.300 nan 0.000 0.445 39 T N 3.788 118.041 114.554 -0.501 0.000 2.881 39 T HA 0.646 4.996 4.350 -0.001 0.000 0.291 39 T C -1.106 173.319 174.700 -0.459 0.000 0.990 39 T CA -0.572 61.328 62.100 -0.333 0.000 0.976 39 T CB 1.234 69.962 68.868 -0.233 0.000 0.970 39 T HN 0.683 nan 8.240 nan 0.000 0.438 40 V N 0.641 120.449 119.914 -0.177 0.000 3.046 40 V HA 0.802 4.921 4.120 -0.001 0.000 0.316 40 V C 0.200 176.279 176.094 -0.026 0.000 1.104 40 V CA -0.982 61.272 62.300 -0.078 0.000 1.006 40 V CB 1.926 33.803 31.823 0.091 0.000 1.058 40 V HN 0.745 nan 8.190 nan 0.000 0.440 41 S N 1.439 117.144 115.700 0.008 0.000 2.560 41 S HA 0.265 4.734 4.470 -0.001 0.000 0.284 41 S C -0.039 174.576 174.600 0.025 0.000 1.327 41 S CA 0.238 58.449 58.200 0.018 0.000 1.055 41 S CB 0.378 63.602 63.200 0.040 0.000 0.868 41 S HN 0.986 nan 8.310 nan 0.000 0.506 42 E N 1.802 122.011 120.200 0.015 0.000 2.183 42 E HA 0.467 4.816 4.350 -0.001 0.000 0.250 42 E C 0.323 176.930 176.600 0.013 0.000 0.901 42 E CA -0.381 56.029 56.400 0.017 0.000 0.741 42 E CB 0.306 30.014 29.700 0.012 0.000 1.182 42 E HN 0.638 nan 8.360 nan 0.000 0.425 43 G N 2.470 111.278 108.800 0.013 0.000 2.636 43 G HA2 0.340 4.299 3.960 -0.001 0.000 0.246 43 G HA3 0.340 4.299 3.960 -0.001 0.000 0.246 43 G C 0.055 174.958 174.900 0.005 0.000 1.216 43 G CA 0.117 45.220 45.100 0.006 0.000 0.854 43 G HN 0.564 nan 8.290 nan 0.000 0.572 44 T N -2.167 112.388 114.554 0.001 0.000 2.948 44 T HA 0.365 4.715 4.350 -0.001 0.000 0.285 44 T C 1.306 176.007 174.700 0.001 0.000 1.019 44 T CA -0.646 61.456 62.100 0.002 0.000 1.013 44 T CB 1.989 70.858 68.868 0.001 0.000 1.117 44 T HN 0.516 nan 8.240 nan 0.000 0.533 45 K N 0.163 120.567 120.400 0.007 0.000 2.113 45 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 45 K C 1.682 178.285 176.600 0.004 0.000 1.047 45 K CA 1.913 58.207 56.287 0.011 0.000 0.928 45 K CB -0.171 32.340 32.500 0.019 0.000 0.716 45 K HN 0.673 nan 8.250 nan 0.000 0.446 46 E N 0.789 120.990 120.200 0.001 0.000 2.152 46 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 46 E C 1.622 178.210 176.600 -0.020 0.000 0.983 46 E CA 1.177 57.575 56.400 -0.004 0.000 0.818 46 E CB -0.046 29.654 29.700 -0.000 0.000 0.758 46 E HN 0.334 nan 8.360 nan 0.000 0.467 47 D N 0.317 120.704 120.400 -0.021 0.000 2.097 47 D HA -0.136 4.503 4.640 -0.001 0.000 0.195 47 D C 1.880 178.150 176.300 -0.049 0.000 0.989 47 D CA 1.546 55.525 54.000 -0.035 0.000 0.827 47 D CB -0.321 40.462 40.800 -0.029 0.000 0.966 47 D HN 0.208 nan 8.370 nan 0.000 0.456 48 A N 0.991 123.787 122.820 -0.040 0.000 1.902 48 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 48 A C 2.120 179.652 177.584 -0.085 0.000 1.181 48 A CA 1.882 53.889 52.037 -0.050 0.000 0.623 48 A CB -0.615 18.371 19.000 -0.024 0.000 0.818 48 A HN 0.298 nan 8.150 nan 0.000 0.443 49 E N -0.361 119.792 120.200 -0.079 0.000 2.058 49 E HA -0.265 4.085 4.350 -0.001 0.000 0.194 49 E C 2.284 178.796 176.600 -0.146 0.000 0.997 49 E CA 1.401 57.720 56.400 -0.134 0.000 0.801 49 E CB -0.174 29.501 29.700 -0.041 0.000 0.746 49 E HN 0.586 nan 8.360 nan 0.000 0.450 50 R N -0.080 120.367 120.500 -0.088 0.000 2.081 50 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 50 R C 2.251 178.495 176.300 -0.094 0.000 1.131 50 R CA 1.347 57.400 56.100 -0.078 0.000 0.960 50 R CB -0.287 29.977 30.300 -0.061 0.000 0.856 50 R HN 0.237 nan 8.270 nan 0.000 0.436 51 A N 0.805 123.564 122.820 -0.100 0.000 1.902 51 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 51 A C 2.123 179.652 177.584 -0.093 0.000 1.181 51 A CA 1.388 53.367 52.037 -0.098 0.000 0.623 51 A CB -0.463 18.480 19.000 -0.093 0.000 0.818 51 A HN 0.351 nan 8.150 nan 0.000 0.443 52 I N -0.365 120.124 120.570 -0.135 0.000 2.252 52 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 52 I C 2.306 178.340 176.117 -0.138 0.000 1.102 52 I CA 1.078 62.281 61.300 -0.163 0.000 1.385 52 I CB -0.297 37.514 38.000 -0.315 0.000 1.064 52 I HN 0.283 nan 8.210 nan 0.000 0.414 53 L N 0.381 121.513 121.223 -0.151 0.000 2.141 53 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 53 L C 2.799 179.654 176.870 -0.025 0.000 1.094 53 L CA 1.131 55.929 54.840 -0.069 0.000 0.763 53 L CB -0.696 41.333 42.059 -0.051 0.000 0.908 53 L HN 0.235 nan 8.230 nan 0.000 0.437 54 A N 0.072 122.870 122.820 -0.038 0.000 1.930 54 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 54 A C 2.550 180.142 177.584 0.013 0.000 1.175 54 A CA 1.502 53.526 52.037 -0.021 0.000 0.627 54 A CB -0.555 18.413 19.000 -0.053 0.000 0.815 54 A HN 0.374 nan 8.150 nan 0.000 0.443 55 A N 0.025 122.852 122.820 0.012 0.000 1.902 55 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 55 A C 2.178 179.829 177.584 0.112 0.000 1.181 55 A CA 2.118 54.190 52.037 0.058 0.000 0.623 55 A CB -0.442 18.579 19.000 0.034 0.000 0.818 55 A HN 0.462 nan 8.150 nan 0.000 0.443 56 R N 0.151 120.696 120.500 0.075 0.000 2.073 56 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 56 R C 2.285 178.678 176.300 0.155 0.000 1.134 56 R CA 2.082 58.249 56.100 0.111 0.000 0.952 56 R CB -0.704 29.635 30.300 0.064 0.000 0.850 56 R HN 0.528 nan 8.270 nan 0.000 0.433 57 R N -0.288 120.272 120.500 0.100 0.000 2.083 57 R HA -0.112 4.227 4.340 -0.001 0.000 0.237 57 R C 1.992 178.356 176.300 0.106 0.000 1.137 57 R CA 1.750 57.903 56.100 0.088 0.000 0.951 57 R CB -0.482 29.849 30.300 0.052 0.000 0.851 57 R HN 0.347 nan 8.270 nan 0.000 0.434 58 A N 0.354 123.243 122.820 0.115 0.000 1.902 58 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 58 A C 2.000 179.681 177.584 0.162 0.000 1.181 58 A CA 1.305 53.417 52.037 0.125 0.000 0.623 58 A CB -0.792 18.281 19.000 0.122 0.000 0.818 58 A HN 0.507 nan 8.150 nan 0.000 0.443 59 F N 0.998 121.001 119.950 0.089 0.000 2.095 59 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 59 F C 2.299 178.147 175.800 0.079 0.000 1.104 59 F CA 2.193 60.254 58.000 0.100 0.000 1.232 59 F CB -0.017 39.036 39.000 0.089 0.000 0.987 59 F HN 0.219 nan 8.300 nan 0.000 0.475 60 E N 0.106 120.426 120.200 0.201 0.000 2.150 60 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 60 E C 2.446 179.054 176.600 0.012 0.000 0.985 60 E CA 1.241 57.703 56.400 0.104 0.000 0.814 60 E CB -0.911 28.872 29.700 0.138 0.000 0.752 60 E HN 0.540 nan 8.360 nan 0.000 0.466 61 S N -0.178 115.537 115.700 0.024 0.000 2.382 61 S HA -0.082 4.388 4.470 -0.001 0.000 0.228 61 S C 1.850 176.437 174.600 -0.021 0.000 1.027 61 S CA 1.604 59.811 58.200 0.013 0.000 0.991 61 S CB -0.362 62.860 63.200 0.037 0.000 0.823 61 S HN 0.367 nan 8.310 nan 0.000 0.469 62 G N 0.851 109.609 108.800 -0.070 0.000 2.176 62 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.253 62 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.253 62 G C 0.543 175.421 174.900 -0.037 0.000 0.979 62 G CA 0.686 45.718 45.100 -0.115 0.000 0.641 62 G HN 0.621 nan 8.290 nan 0.000 0.530 63 E N -1.064 119.161 120.200 0.043 0.000 2.153 63 E HA -0.084 4.265 4.350 -0.001 0.000 0.194 63 E C 1.894 178.618 176.600 0.206 0.000 0.988 63 E CA 1.348 57.811 56.400 0.105 0.000 0.811 63 E CB -0.135 29.642 29.700 0.129 0.000 0.746 63 E HN 0.760 nan 8.360 nan 0.000 0.466 64 W N 0.092 121.388 121.300 -0.006 0.000 2.699 64 W HA -0.005 4.655 4.660 -0.001 0.000 0.267 64 W C 2.248 178.756 176.519 -0.019 0.000 1.182 64 W CA 0.979 58.343 57.345 0.031 0.000 1.453 64 W CB 0.023 29.543 29.460 0.099 0.000 1.054 64 W HN 0.141 nan 8.180 nan 0.000 0.595 65 S N 0.140 115.783 115.700 -0.095 0.000 2.423 65 S HA -0.161 4.309 4.470 -0.001 0.000 0.231 65 S C 1.241 175.684 174.600 -0.262 0.000 1.014 65 S CA 0.916 58.950 58.200 -0.276 0.000 0.965 65 S CB -0.385 62.391 63.200 -0.705 0.000 0.785 65 S HN 0.222 nan 8.310 nan 0.000 0.495 66 Q N 0.682 120.356 119.800 -0.211 0.000 2.219 66 Q HA 0.376 4.716 4.340 -0.001 0.000 0.209 66 Q C 0.064 175.971 176.000 -0.154 0.000 0.854 66 Q CA 0.021 55.728 55.803 -0.160 0.000 0.960 66 Q CB 0.154 28.822 28.738 -0.118 0.000 1.116 66 Q HN 0.671 nan 8.270 nan 0.000 0.500 67 E N 1.993 122.061 120.200 -0.220 0.000 2.408 67 E HA 0.040 4.389 4.350 -0.001 0.000 0.259 67 E C -0.253 176.207 176.600 -0.233 0.000 1.110 67 E CA 0.018 56.282 56.400 -0.225 0.000 0.929 67 E CB 0.664 30.161 29.700 -0.339 0.000 0.971 67 E HN 0.138 nan 8.360 nan 0.000 0.438 68 T N 0.817 115.271 114.554 -0.166 0.000 2.926 68 T HA 0.352 4.701 4.350 -0.001 0.000 0.307 68 T C 1.169 175.768 174.700 -0.167 0.000 1.059 68 T CA -0.128 61.893 62.100 -0.132 0.000 1.122 68 T CB 1.308 70.126 68.868 -0.082 0.000 0.972 68 T HN 0.519 nan 8.240 nan 0.000 0.545 69 A N 1.393 124.135 122.820 -0.129 0.000 1.933 69 A HA -0.089 4.231 4.320 -0.001 0.000 0.218 69 A C 2.307 179.842 177.584 -0.081 0.000 1.175 69 A CA 1.801 53.768 52.037 -0.116 0.000 0.628 69 A CB -1.032 17.925 19.000 -0.072 0.000 0.814 69 A HN 1.048 nan 8.150 nan 0.000 0.444 70 E N -0.770 119.394 120.200 -0.060 0.000 2.058 70 E HA -0.187 4.163 4.350 -0.001 0.000 0.194 70 E C 1.967 178.553 176.600 -0.024 0.000 0.997 70 E CA 1.783 58.163 56.400 -0.033 0.000 0.801 70 E CB -0.168 29.515 29.700 -0.028 0.000 0.746 70 E HN 0.554 nan 8.360 nan 0.000 0.450 71 T N 0.576 115.103 114.554 -0.045 0.000 2.788 71 T HA -0.107 4.243 4.350 -0.001 0.000 0.268 71 T C 1.799 176.500 174.700 0.002 0.000 1.044 71 T CA 1.074 63.161 62.100 -0.023 0.000 1.139 71 T CB -0.152 68.694 68.868 -0.037 0.000 0.867 71 T HN 0.184 nan 8.240 nan 0.000 0.454 72 R N 0.443 120.873 120.500 -0.117 0.000 2.081 72 R HA -0.042 4.297 4.340 -0.001 0.000 0.235 72 R C 2.880 179.285 176.300 0.176 0.000 1.131 72 R CA 1.340 57.395 56.100 -0.076 0.000 0.960 72 R CB -0.783 29.292 30.300 -0.375 0.000 0.856 72 R HN 0.435 nan 8.270 nan 0.000 0.436 73 G N 1.657 110.508 108.800 0.084 0.000 2.440 73 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 73 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 73 G C 1.243 176.218 174.900 0.124 0.000 1.154 73 G CA 0.713 45.877 45.100 0.107 0.000 0.767 73 G HN 0.268 nan 8.290 nan 0.000 0.552 74 K N 0.251 120.708 120.400 0.095 0.000 2.063 74 K HA -0.064 4.255 4.320 -0.001 0.000 0.208 74 K C 2.578 179.247 176.600 0.114 0.000 1.048 74 K CA 1.120 57.456 56.287 0.083 0.000 0.928 74 K CB -0.076 32.456 32.500 0.053 0.000 0.713 74 K HN 0.112 nan 8.250 nan 0.000 0.442 75 K N 0.632 121.138 120.400 0.178 0.000 2.057 75 K HA -0.070 4.250 4.320 -0.001 0.000 0.206 75 K C 2.160 178.920 176.600 0.266 0.000 1.050 75 K CA 0.934 57.332 56.287 0.184 0.000 0.935 75 K CB -0.249 32.420 32.500 0.282 0.000 0.715 75 K HN -0.002 nan 8.250 nan 0.000 0.439 76 V N 1.354 121.469 119.914 0.335 0.000 2.407 76 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 76 V C 2.560 178.792 176.094 0.230 0.000 1.055 76 V CA 1.638 64.141 62.300 0.338 0.000 1.049 76 V CB -0.514 31.530 31.823 0.367 0.000 0.662 76 V HN 0.317 nan 8.190 nan 0.000 0.455 77 R N 0.358 120.959 120.500 0.169 0.000 2.096 77 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 77 R C 2.291 178.640 176.300 0.082 0.000 1.127 77 R CA 1.557 57.723 56.100 0.111 0.000 0.968 77 R CB -0.433 29.918 30.300 0.085 0.000 0.861 77 R HN 0.481 nan 8.270 nan 0.000 0.440 78 A N 0.949 123.814 122.820 0.074 0.000 1.933 78 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 78 A C 2.104 179.695 177.584 0.011 0.000 1.175 78 A CA 1.428 53.489 52.037 0.041 0.000 0.628 78 A CB -0.470 18.540 19.000 0.018 0.000 0.814 78 A HN 0.370 nan 8.150 nan 0.000 0.444 79 I N -0.322 120.232 120.570 -0.025 0.000 2.202 79 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 79 I C 2.999 178.967 176.117 -0.249 0.000 1.091 79 I CA 0.960 62.132 61.300 -0.214 0.000 1.368 79 I CB -0.466 37.247 38.000 -0.478 0.000 1.058 79 I HN 0.349 nan 8.210 nan 0.000 0.410 80 A N 0.898 123.641 122.820 -0.128 0.000 1.892 80 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 80 A C 1.952 179.678 177.584 0.237 0.000 1.188 80 A CA 2.405 54.463 52.037 0.036 0.000 0.631 80 A CB -0.731 18.253 19.000 -0.027 0.000 0.822 80 A HN 0.389 nan 8.150 nan 0.000 0.447 81 D N -0.257 120.244 120.400 0.169 0.000 2.144 81 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 81 D C 1.875 178.236 176.300 0.101 0.000 0.984 81 D CA 1.090 55.188 54.000 0.164 0.000 0.834 81 D CB -0.229 40.633 40.800 0.103 0.000 0.955 81 D HN 0.331 nan 8.370 nan 0.000 0.465 82 K N 0.570 121.015 120.400 0.076 0.000 2.097 82 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 82 K C 2.119 178.818 176.600 0.164 0.000 1.049 82 K CA 0.395 56.756 56.287 0.123 0.000 0.933 82 K CB -0.204 32.342 32.500 0.076 0.000 0.717 82 K HN 0.224 nan 8.250 nan 0.000 0.442 83 I N 1.428 122.064 120.570 0.110 0.000 2.226 83 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 83 I C 2.449 178.646 176.117 0.134 0.000 1.100 83 I CA 1.275 62.659 61.300 0.140 0.000 1.374 83 I CB -0.834 37.269 38.000 0.171 0.000 1.057 83 I HN 0.229 nan 8.210 nan 0.000 0.413 84 K N 1.099 121.556 120.400 0.094 0.000 2.057 84 K HA -0.227 4.092 4.320 -0.001 0.000 0.206 84 K C 2.103 178.669 176.600 -0.057 0.000 1.050 84 K CA 1.516 57.769 56.287 -0.057 0.000 0.935 84 K CB -0.073 32.252 32.500 -0.293 0.000 0.715 84 K HN 0.256 nan 8.250 nan 0.000 0.439 85 E N -0.209 119.950 120.200 -0.069 0.000 2.097 85 E HA -0.219 4.130 4.350 -0.001 0.000 0.196 85 E C 0.769 177.185 176.600 -0.306 0.000 1.000 85 E CA 1.199 57.475 56.400 -0.205 0.000 0.804 85 E CB 0.064 29.598 29.700 -0.276 0.000 0.740 85 E HN 0.467 nan 8.360 nan 0.000 0.454 86 H N -0.625 118.451 119.070 0.011 0.000 2.487 86 H HA 0.136 4.692 4.556 -0.001 0.000 0.290 86 H C 1.463 176.820 175.328 0.048 0.000 1.081 86 H CA -0.061 56.000 56.048 0.020 0.000 1.116 86 H CB 0.318 30.087 29.762 0.012 0.000 1.560 86 H HN 0.186 nan 8.280 nan 0.000 0.548 87 R N 1.132 121.704 120.500 0.119 0.000 2.096 87 R HA -0.144 4.195 4.340 -0.001 0.000 0.240 87 R C 1.614 178.036 176.300 0.204 0.000 1.139 87 R CA 1.355 57.541 56.100 0.143 0.000 0.952 87 R CB 0.298 30.651 30.300 0.090 0.000 0.854 87 R HN 0.178 nan 8.270 nan 0.000 0.436 88 E N 0.179 120.495 120.200 0.194 0.000 2.051 88 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 88 E C 1.899 178.622 176.600 0.204 0.000 0.991 88 E CA 1.383 57.946 56.400 0.271 0.000 0.799 88 E CB -0.290 29.534 29.700 0.207 0.000 0.748 88 E HN 0.479 nan 8.360 nan 0.000 0.449 89 A N 1.166 124.079 122.820 0.155 0.000 1.877 89 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 89 A C 2.433 180.073 177.584 0.093 0.000 1.186 89 A CA 1.187 53.294 52.037 0.116 0.000 0.620 89 A CB -0.793 18.269 19.000 0.104 0.000 0.822 89 A HN 0.191 nan 8.150 nan 0.000 0.443 90 L N -0.780 120.505 121.223 0.104 0.000 2.042 90 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 90 L C 3.118 180.015 176.870 0.045 0.000 1.076 90 L CA 1.152 56.037 54.840 0.074 0.000 0.749 90 L CB -0.531 41.587 42.059 0.098 0.000 0.893 90 L HN 0.454 nan 8.230 nan 0.000 0.432 91 A N 0.026 122.874 122.820 0.047 0.000 1.902 91 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 91 A C 2.371 179.889 177.584 -0.112 0.000 1.181 91 A CA 1.553 53.542 52.037 -0.079 0.000 0.623 91 A CB -0.463 18.411 19.000 -0.211 0.000 0.818 91 A HN 0.330 nan 8.150 nan 0.000 0.443 92 R N -0.662 119.847 120.500 0.015 0.000 2.092 92 R HA 0.011 4.350 4.340 -0.001 0.000 0.231 92 R C 2.047 178.437 176.300 0.150 0.000 1.119 92 R CA 1.292 57.494 56.100 0.169 0.000 0.970 92 R CB -0.470 29.991 30.300 0.269 0.000 0.864 92 R HN 0.496 nan 8.270 nan 0.000 0.440 93 L N 0.295 121.558 121.223 0.067 0.000 2.046 93 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 93 L C 2.411 179.279 176.870 -0.004 0.000 1.077 93 L CA 1.192 56.049 54.840 0.028 0.000 0.747 93 L CB -0.276 41.776 42.059 -0.010 0.000 0.896 93 L HN 0.135 nan 8.230 nan 0.000 0.432 94 E N -0.284 119.893 120.200 -0.037 0.000 2.077 94 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 94 E C 2.072 178.589 176.600 -0.138 0.000 0.989 94 E CA 1.676 58.031 56.400 -0.076 0.000 0.800 94 E CB -0.041 29.605 29.700 -0.089 0.000 0.746 94 E HN 0.236 nan 8.360 nan 0.000 0.452 95 T N 0.458 114.880 114.554 -0.220 0.000 2.777 95 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 95 T C 1.611 176.160 174.700 -0.252 0.000 1.040 95 T CA 1.010 62.881 62.100 -0.383 0.000 1.141 95 T CB -0.267 68.143 68.868 -0.763 0.000 0.868 95 T HN 0.082 nan 8.240 nan 0.000 0.444 96 L N 1.313 122.513 121.223 -0.038 0.000 2.083 96 L HA -0.039 4.300 4.340 -0.001 0.000 0.209 96 L C 1.980 178.888 176.870 0.063 0.000 1.083 96 L CA 1.793 56.716 54.840 0.138 0.000 0.752 96 L CB -0.479 41.714 42.059 0.223 0.000 0.899 96 L HN 0.091 nan 8.230 nan 0.000 0.433 97 D N -1.880 118.533 120.400 0.021 0.000 2.183 97 D HA -0.097 4.542 4.640 -0.001 0.000 0.205 97 D C 1.984 178.300 176.300 0.027 0.000 0.962 97 D CA 1.513 55.531 54.000 0.029 0.000 0.849 97 D CB 0.271 41.086 40.800 0.024 0.000 0.978 97 D HN 0.495 nan 8.370 nan 0.000 0.488 98 T N -4.289 110.265 114.554 0.000 0.000 3.001 98 T HA 0.360 4.710 4.350 -0.001 0.000 0.251 98 T C 1.662 176.386 174.700 0.040 0.000 1.040 98 T CA 0.900 63.025 62.100 0.042 0.000 0.985 98 T CB 0.790 69.677 68.868 0.031 0.000 1.011 98 T HN 0.144 nan 8.240 nan 0.000 0.509 99 G N 2.511 111.285 108.800 -0.043 0.000 2.267 99 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.257 99 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.257 99 G C 0.158 174.993 174.900 -0.109 0.000 0.998 99 G CA 0.475 45.541 45.100 -0.056 0.000 0.620 99 G HN 1.014 nan 8.290 nan 0.000 0.529 100 K N 1.108 121.389 120.400 -0.198 0.000 2.149 100 K HA 0.515 4.834 4.320 -0.001 0.000 0.245 100 K C 0.816 177.241 176.600 -0.292 0.000 1.024 100 K CA 0.164 56.282 56.287 -0.281 0.000 0.899 100 K CB 0.116 32.197 32.500 -0.697 0.000 1.038 100 K HN 0.520 nan 8.250 nan 0.000 0.496 101 T N -0.547 113.879 114.554 -0.213 0.000 2.932 101 T HA -0.026 4.324 4.350 -0.001 0.000 0.312 101 T C 1.117 175.630 174.700 -0.312 0.000 1.071 101 T CA -0.705 61.262 62.100 -0.222 0.000 1.128 101 T CB 0.598 69.406 68.868 -0.101 0.000 0.984 101 T HN 0.579 nan 8.240 nan 0.000 0.549 102 L N 1.247 122.234 121.223 -0.392 0.000 2.079 102 L HA -0.025 4.314 4.340 -0.001 0.000 0.210 102 L C 2.685 179.288 176.870 -0.445 0.000 1.081 102 L CA 2.092 56.626 54.840 -0.511 0.000 0.752 102 L CB -1.101 40.657 42.059 -0.502 0.000 0.896 102 L HN 1.004 nan 8.230 nan 0.000 0.433 103 E N -0.725 119.378 120.200 -0.161 0.000 2.110 103 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 103 E C 1.966 178.577 176.600 0.017 0.000 0.988 103 E CA 1.435 57.866 56.400 0.051 0.000 0.804 103 E CB -0.048 29.701 29.700 0.081 0.000 0.745 103 E HN 0.636 nan 8.360 nan 0.000 0.458 104 E N -0.127 120.042 120.200 -0.052 0.000 2.077 104 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 104 E C 2.227 178.775 176.600 -0.087 0.000 0.989 104 E CA 1.251 57.617 56.400 -0.057 0.000 0.800 104 E CB 0.039 29.692 29.700 -0.078 0.000 0.746 104 E HN 0.126 nan 8.360 nan 0.000 0.452 105 S N 0.171 115.756 115.700 -0.192 0.000 2.368 105 S HA -0.150 4.319 4.470 -0.001 0.000 0.225 105 S C 1.706 176.264 174.600 -0.070 0.000 1.030 105 S CA 0.952 59.040 58.200 -0.186 0.000 0.999 105 S CB -0.301 62.719 63.200 -0.300 0.000 0.844 105 S HN 0.279 nan 8.310 nan 0.000 0.459 106 Y N 1.886 122.169 120.300 -0.028 0.000 2.165 106 Y HA -0.132 4.418 4.550 -0.001 0.000 0.286 106 Y C 2.680 178.586 175.900 0.010 0.000 1.155 106 Y CA 0.302 58.400 58.100 -0.004 0.000 1.164 106 Y CB -1.204 37.249 38.460 -0.013 0.000 0.978 106 Y HN 0.262 nan 8.280 nan 0.000 0.513 107 A N 0.161 123.076 122.820 0.158 0.000 1.908 107 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 107 A C 1.972 179.617 177.584 0.102 0.000 1.181 107 A CA 2.056 54.144 52.037 0.085 0.000 0.627 107 A CB -0.783 18.223 19.000 0.009 0.000 0.818 107 A HN 0.374 nan 8.150 nan 0.000 0.445 108 D N -0.387 120.079 120.400 0.109 0.000 2.123 108 D HA -0.152 4.487 4.640 -0.001 0.000 0.196 108 D C 1.988 178.386 176.300 0.164 0.000 0.992 108 D CA 1.345 55.434 54.000 0.148 0.000 0.833 108 D CB -0.315 40.566 40.800 0.136 0.000 0.954 108 D HN 0.298 nan 8.370 nan 0.000 0.455 109 M N 0.745 120.440 119.600 0.158 0.000 2.175 109 M HA -0.091 4.388 4.480 -0.001 0.000 0.264 109 M C 1.405 177.826 176.300 0.201 0.000 1.063 109 M CA 1.078 56.487 55.300 0.182 0.000 1.119 109 M CB -0.826 31.882 32.600 0.180 0.000 1.377 109 M HN -0.040 nan 8.290 nan 0.000 0.415 110 D N 0.879 121.382 120.400 0.170 0.000 2.117 110 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 110 D C 1.609 178.036 176.300 0.213 0.000 0.987 110 D CA 1.192 55.290 54.000 0.163 0.000 0.829 110 D CB -0.316 40.546 40.800 0.102 0.000 0.961 110 D HN 0.298 nan 8.370 nan 0.000 0.460 111 D N 0.357 120.877 120.400 0.199 0.000 2.117 111 D HA -0.083 4.557 4.640 -0.001 0.000 0.197 111 D C 2.323 178.792 176.300 0.282 0.000 0.987 111 D CA 0.399 54.539 54.000 0.234 0.000 0.829 111 D CB -0.240 40.727 40.800 0.279 0.000 0.961 111 D HN 0.272 nan 8.370 nan 0.000 0.460 112 I N 0.233 120.980 120.570 0.295 0.000 2.179 112 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 112 I C 2.393 178.767 176.117 0.428 0.000 1.088 112 I CA 1.060 62.570 61.300 0.350 0.000 1.357 112 I CB -0.285 37.912 38.000 0.329 0.000 1.051 112 I HN 0.060 nan 8.210 nan 0.000 0.409 113 H N 1.593 120.832 119.070 0.283 0.000 2.319 113 H HA -0.200 4.355 4.556 -0.001 0.000 0.297 113 H C 2.037 177.518 175.328 0.256 0.000 1.097 113 H CA 2.165 58.366 56.048 0.255 0.000 1.285 113 H CB -0.067 29.790 29.762 0.160 0.000 1.368 113 H HN 0.216 nan 8.280 nan 0.000 0.495 114 N N -0.142 118.662 118.700 0.174 0.000 2.244 114 N HA -0.113 4.627 4.740 -0.001 0.000 0.183 114 N C 2.096 177.666 175.510 0.100 0.000 1.016 114 N CA 1.119 54.222 53.050 0.089 0.000 0.866 114 N CB -0.250 38.315 38.487 0.130 0.000 0.980 114 N HN 0.246 nan 8.380 nan 0.000 0.430 115 V N 0.757 120.766 119.914 0.158 0.000 2.261 115 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 115 V C 1.901 178.112 176.094 0.195 0.000 1.047 115 V CA 1.429 63.820 62.300 0.153 0.000 1.015 115 V CB -0.681 31.248 31.823 0.177 0.000 0.642 115 V HN 0.092 nan 8.190 nan 0.000 0.446 116 F N -1.129 118.935 119.950 0.191 0.000 2.134 116 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 116 F C 2.506 178.359 175.800 0.088 0.000 1.097 116 F CA 1.507 59.603 58.000 0.162 0.000 1.264 116 F CB -0.513 38.541 39.000 0.090 0.000 1.001 116 F HN 0.068 nan 8.300 nan 0.000 0.479 117 M N -1.198 118.473 119.600 0.119 0.000 2.108 117 M HA -0.266 4.214 4.480 -0.001 0.000 0.261 117 M C 2.212 178.534 176.300 0.038 0.000 1.066 117 M CA 1.666 56.972 55.300 0.011 0.000 1.107 117 M CB -1.538 30.983 32.600 -0.131 0.000 1.356 117 M HN 0.277 nan 8.290 nan 0.000 0.406 118 Y N 0.507 120.750 120.300 -0.096 0.000 2.114 118 Y HA -0.262 4.288 4.550 -0.001 0.000 0.284 118 Y C 2.081 177.822 175.900 -0.265 0.000 1.143 118 Y CA 1.841 59.801 58.100 -0.232 0.000 1.135 118 Y CB -0.582 37.643 38.460 -0.391 0.000 0.980 118 Y HN 0.032 nan 8.280 nan 0.000 0.499 119 F N 0.015 119.975 119.950 0.017 0.000 2.234 119 F HA -0.092 4.435 4.527 -0.001 0.000 0.299 119 F C 2.586 178.353 175.800 -0.054 0.000 1.087 119 F CA 1.058 59.025 58.000 -0.055 0.000 1.340 119 F CB -1.248 37.763 39.000 0.019 0.000 1.031 119 F HN 0.175 nan 8.300 nan 0.000 0.500 120 A N 0.358 123.272 122.820 0.156 0.000 1.892 120 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 120 A C 2.587 180.178 177.584 0.011 0.000 1.188 120 A CA 2.028 54.132 52.037 0.113 0.000 0.631 120 A CB -1.600 17.471 19.000 0.118 0.000 0.822 120 A HN 0.398 nan 8.150 nan 0.000 0.447 121 G N -1.196 107.556 108.800 -0.080 0.000 2.484 121 G HA2 0.015 3.974 3.960 -0.001 0.000 0.218 121 G HA3 0.015 3.974 3.960 -0.001 0.000 0.218 121 G C 1.334 176.128 174.900 -0.176 0.000 1.130 121 G CA 1.009 46.033 45.100 -0.127 0.000 0.784 121 G HN 0.418 nan 8.290 nan 0.000 0.543 122 L N 0.969 122.041 121.223 -0.251 0.000 2.341 122 L HA 0.408 4.747 4.340 -0.001 0.000 0.214 122 L C 2.920 179.757 176.870 -0.056 0.000 1.115 122 L CA 1.132 55.844 54.840 -0.213 0.000 0.820 122 L CB -0.451 41.416 42.059 -0.321 0.000 0.944 122 L HN 0.202 nan 8.230 nan 0.000 0.452 123 A N 0.211 123.027 122.820 -0.007 0.000 1.927 123 A HA -0.239 4.081 4.320 -0.001 0.000 0.220 123 A C 1.575 179.156 177.584 -0.005 0.000 1.185 123 A CA 2.065 54.116 52.037 0.023 0.000 0.639 123 A CB -0.750 18.272 19.000 0.038 0.000 0.820 123 A HN 0.646 nan 8.150 nan 0.000 0.451 124 D N -2.337 118.051 120.400 -0.021 0.000 2.463 124 D HA 0.111 4.751 4.640 -0.001 0.000 0.224 124 D C 0.629 176.914 176.300 -0.024 0.000 1.174 124 D CA -0.057 53.928 54.000 -0.025 0.000 0.829 124 D CB 0.130 40.913 40.800 -0.028 0.000 0.993 124 D HN 0.178 nan 8.370 nan 0.000 0.497 125 K N 0.152 120.537 120.400 -0.025 0.000 2.358 125 K HA 0.141 4.461 4.320 -0.001 0.000 0.197 125 K C -0.256 176.337 176.600 -0.013 0.000 1.025 125 K CA 0.058 56.330 56.287 -0.026 0.000 1.104 125 K CB 0.887 33.361 32.500 -0.043 0.000 0.855 125 K HN 0.149 nan 8.250 nan 0.000 0.531 126 D N -0.712 119.686 120.400 -0.004 0.000 2.312 126 D HA 0.175 4.815 4.640 -0.001 0.000 0.229 126 D C 0.382 176.687 176.300 0.009 0.000 1.337 126 D CA -0.201 53.802 54.000 0.004 0.000 0.964 126 D CB 0.595 41.402 40.800 0.012 0.000 1.456 126 D HN 0.029 nan 8.370 nan 0.000 0.547 127 G N 1.378 110.180 108.800 0.004 0.000 3.042 127 G HA2 0.534 4.493 3.960 -0.001 0.000 0.212 127 G HA3 0.534 4.493 3.960 -0.001 0.000 0.212 127 G C 0.880 175.787 174.900 0.011 0.000 1.166 127 G CA 0.409 45.512 45.100 0.006 0.000 0.767 127 G HN 0.939 nan 8.290 nan 0.000 0.546 128 G N -0.120 108.686 108.800 0.011 0.000 2.280 128 G HA2 0.279 4.239 3.960 -0.001 0.000 0.277 128 G HA3 0.279 4.239 3.960 -0.001 0.000 0.277 128 G C -0.908 173.995 174.900 0.006 0.000 1.288 128 G CA -0.187 44.920 45.100 0.012 0.000 1.075 128 G HN 0.846 nan 8.290 nan 0.000 0.480 129 E N -1.506 118.697 120.200 0.004 0.000 2.429 129 E HA 0.727 5.076 4.350 -0.001 0.000 0.276 129 E C -0.909 175.693 176.600 0.002 0.000 0.953 129 E CA -1.261 55.139 56.400 -0.001 0.000 0.787 129 E CB 1.645 31.339 29.700 -0.010 0.000 1.307 129 E HN 0.414 nan 8.360 nan 0.000 0.458 130 M N 2.102 121.703 119.600 0.001 0.000 2.209 130 M HA 0.395 4.874 4.480 -0.001 0.000 0.355 130 M C -0.702 175.596 176.300 -0.004 0.000 1.171 130 M CA -0.793 54.510 55.300 0.006 0.000 1.069 130 M CB 0.873 33.477 32.600 0.007 0.000 1.622 130 M HN 0.577 nan 8.290 nan 0.000 0.459 131 I N 2.195 122.763 120.570 -0.003 0.000 2.437 131 I HA 0.230 4.400 4.170 -0.001 0.000 0.298 131 I C 0.286 176.401 176.117 -0.004 0.000 0.984 131 I CA -0.442 60.846 61.300 -0.021 0.000 1.214 131 I CB 1.371 39.335 38.000 -0.061 0.000 1.365 131 I HN 0.497 nan 8.210 nan 0.000 0.469 132 D N 4.124 124.518 120.400 -0.009 0.000 2.374 132 D HA 0.022 4.661 4.640 -0.001 0.000 0.240 132 D C 0.178 176.479 176.300 0.002 0.000 1.229 132 D CA 0.277 54.276 54.000 -0.001 0.000 0.895 132 D CB 0.878 41.676 40.800 -0.004 0.000 1.046 132 D HN 0.377 nan 8.370 nan 0.000 0.498 133 S N 3.338 119.047 115.700 0.016 0.000 2.531 133 S HA 0.160 4.629 4.470 -0.001 0.000 0.279 133 S C -1.119 173.492 174.600 0.018 0.000 1.305 133 S CA -1.171 57.044 58.200 0.026 0.000 1.058 133 S CB 1.024 64.250 63.200 0.044 0.000 0.899 133 S HN 0.329 nan 8.310 nan 0.000 0.493 134 P HA 0.181 nan 4.420 nan 0.000 0.245 134 P C -0.272 177.038 177.300 0.016 0.000 1.212 134 P CA 0.421 63.529 63.100 0.013 0.000 0.774 134 P CB -0.049 31.657 31.700 0.010 0.000 0.999 135 I N 1.844 122.427 120.570 0.022 0.000 2.312 135 I HA 0.286 4.456 4.170 -0.001 0.000 0.290 135 I C -2.353 173.774 176.117 0.018 0.000 1.008 135 I CA -2.879 58.433 61.300 0.020 0.000 1.226 135 I CB 1.353 39.367 38.000 0.024 0.000 1.371 135 I HN -0.283 nan 8.210 nan 0.000 0.468 136 P HA 0.045 nan 4.420 nan 0.000 0.269 136 P C -0.597 176.710 177.300 0.012 0.000 1.215 136 P CA 0.172 63.280 63.100 0.012 0.000 0.780 136 P CB 0.317 32.023 31.700 0.010 0.000 0.898 137 D N -0.790 119.617 120.400 0.011 0.000 2.699 137 D HA -0.120 4.520 4.640 -0.001 0.000 0.239 137 D C -0.249 176.057 176.300 0.011 0.000 1.136 137 D CA 1.460 55.466 54.000 0.010 0.000 0.668 137 D CB -1.707 39.098 40.800 0.009 0.000 1.060 137 D HN 0.546 nan 8.370 nan 0.000 0.429 138 T N -3.020 111.542 114.554 0.014 0.000 2.900 138 T HA 0.597 4.947 4.350 -0.001 0.000 0.303 138 T C -0.631 174.082 174.700 0.023 0.000 1.142 138 T CA -1.005 61.105 62.100 0.016 0.000 1.007 138 T CB 3.380 72.261 68.868 0.022 0.000 1.156 138 T HN 0.097 nan 8.240 nan 0.000 0.490 139 E N 0.865 121.079 120.200 0.023 0.000 2.187 139 E HA 0.519 4.868 4.350 -0.001 0.000 0.268 139 E C -1.300 175.333 176.600 0.055 0.000 0.896 139 E CA -0.692 55.727 56.400 0.032 0.000 0.766 139 E CB 1.683 31.396 29.700 0.021 0.000 1.142 139 E HN 0.667 nan 8.360 nan 0.000 0.408 140 S N 4.417 120.168 115.700 0.085 0.000 2.605 140 S HA 0.471 4.940 4.470 -0.001 0.000 0.308 140 S C -1.259 173.418 174.600 0.129 0.000 1.113 140 S CA -0.792 57.511 58.200 0.173 0.000 1.049 140 S CB 0.499 63.827 63.200 0.213 0.000 1.001 140 S HN 0.522 nan 8.310 nan 0.000 0.480 141 K N 3.639 124.143 120.400 0.173 0.000 2.508 141 K HA 0.593 4.912 4.320 -0.001 0.000 0.260 141 K C -1.442 175.240 176.600 0.137 0.000 0.949 141 K CA -1.070 55.280 56.287 0.106 0.000 0.834 141 K CB 1.147 33.686 32.500 0.064 0.000 1.365 141 K HN 0.406 nan 8.250 nan 0.000 0.437 142 I N 2.952 123.558 120.570 0.061 0.000 2.382 142 I HA 0.177 4.346 4.170 -0.001 0.000 0.285 142 I C 0.015 176.156 176.117 0.040 0.000 1.007 142 I CA -0.917 60.413 61.300 0.051 0.000 1.142 142 I CB 1.111 39.111 38.000 -0.001 0.000 1.289 142 I HN 0.582 nan 8.210 nan 0.000 0.453 143 V N 3.934 123.877 119.914 0.049 0.000 2.427 143 V HA 0.554 4.674 4.120 -0.001 0.000 0.286 143 V C 0.032 176.148 176.094 0.038 0.000 1.034 143 V CA -0.787 61.534 62.300 0.036 0.000 0.893 143 V CB 1.442 33.286 31.823 0.034 0.000 0.982 143 V HN 0.621 nan 8.190 nan 0.000 0.452 144 K N 4.280 124.700 120.400 0.033 0.000 2.263 144 K HA 0.520 4.840 4.320 -0.001 0.000 0.272 144 K C -0.412 176.217 176.600 0.048 0.000 1.033 144 K CA -0.251 56.060 56.287 0.040 0.000 0.884 144 K CB 1.471 33.994 32.500 0.037 0.000 1.107 144 K HN 0.827 nan 8.250 nan 0.000 0.460 145 E N 3.386 123.625 120.200 0.065 0.000 2.222 145 E HA 0.315 4.664 4.350 -0.001 0.000 0.267 145 E C -2.434 174.241 176.600 0.126 0.000 0.963 145 E CA -2.439 54.015 56.400 0.090 0.000 0.837 145 E CB 1.221 30.985 29.700 0.108 0.000 1.183 145 E HN 0.298 nan 8.360 nan 0.000 0.403 146 P HA -0.090 nan 4.420 nan 0.000 0.268 146 P C 0.831 178.253 177.300 0.204 0.000 1.205 146 P CA 0.200 63.444 63.100 0.239 0.000 0.771 146 P CB 0.903 32.830 31.700 0.377 0.000 0.858 147 V N 2.489 122.475 119.914 0.120 0.000 2.469 147 V HA -0.069 4.050 4.120 -0.001 0.000 0.251 147 V C 1.232 177.255 176.094 -0.119 0.000 1.064 147 V CA 2.923 65.231 62.300 0.013 0.000 1.066 147 V CB -1.100 30.708 31.823 -0.025 0.000 0.667 147 V HN 1.040 nan 8.190 nan 0.000 0.461 148 G N -1.416 107.237 108.800 -0.245 0.000 2.178 148 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.147 148 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.147 148 G C -0.644 173.923 174.900 -0.554 0.000 1.245 148 G CA -0.161 44.405 45.100 -0.890 0.000 1.275 148 G HN 0.484 nan 8.290 nan 0.000 0.491 149 V N 1.740 121.413 119.914 -0.401 0.000 2.432 149 V HA 0.570 4.689 4.120 -0.001 0.000 0.275 149 V C 0.710 176.776 176.094 -0.048 0.000 1.043 149 V CA 0.165 62.378 62.300 -0.144 0.000 0.925 149 V CB 0.778 32.539 31.823 -0.103 0.000 0.985 149 V HN 1.550 nan 8.190 nan 0.000 0.466 150 V N 2.213 122.148 119.914 0.035 0.000 2.656 150 V HA 0.902 5.021 4.120 -0.001 0.000 0.307 150 V C -0.132 176.015 176.094 0.088 0.000 1.051 150 V CA -0.418 61.929 62.300 0.079 0.000 0.893 150 V CB 1.939 33.888 31.823 0.209 0.000 0.999 150 V HN 0.888 nan 8.190 nan 0.000 0.426 151 T N 2.075 116.677 114.554 0.079 0.000 2.859 151 T HA 0.762 5.112 4.350 -0.001 0.000 0.281 151 T C -0.617 174.153 174.700 0.116 0.000 1.005 151 T CA -0.585 61.565 62.100 0.083 0.000 1.025 151 T CB 1.680 70.584 68.868 0.060 0.000 0.977 151 T HN 0.889 nan 8.240 nan 0.000 0.458 152 Q N 1.875 121.748 119.800 0.122 0.000 2.274 152 Q HA 0.576 4.915 4.340 -0.001 0.000 0.268 152 Q C -1.218 174.859 176.000 0.128 0.000 1.015 152 Q CA -0.542 55.344 55.803 0.139 0.000 0.775 152 Q CB 2.507 31.329 28.738 0.140 0.000 1.256 152 Q HN 0.698 nan 8.270 nan 0.000 0.442 153 I N 2.146 122.806 120.570 0.151 0.000 2.466 153 I HA 0.433 4.602 4.170 -0.001 0.000 0.289 153 I C -0.083 176.059 176.117 0.041 0.000 1.026 153 I CA -0.573 60.824 61.300 0.163 0.000 1.078 153 I CB 2.057 40.259 38.000 0.336 0.000 1.249 153 I HN 0.595 nan 8.210 nan 0.000 0.429 154 T N 3.537 118.090 114.554 -0.002 0.000 2.942 154 T HA 0.736 5.086 4.350 -0.001 0.000 0.289 154 T C -2.818 171.805 174.700 -0.129 0.000 1.044 154 T CA -2.006 60.028 62.100 -0.110 0.000 1.023 154 T CB 2.378 71.209 68.868 -0.062 0.000 1.123 154 T HN 0.254 nan 8.240 nan 0.000 0.512 155 P HA 0.371 nan 4.420 nan 0.000 0.307 155 P C 0.492 177.690 177.300 -0.170 0.000 1.307 155 P CA -0.959 61.967 63.100 -0.290 0.000 0.814 155 P CB 1.227 32.598 31.700 -0.549 0.000 1.311 156 W N 0.192 121.477 121.300 -0.025 0.000 3.256 156 W HA 0.094 4.753 4.660 -0.001 0.000 0.269 156 W C 0.773 177.295 176.519 0.005 0.000 1.310 156 W CA 0.339 57.678 57.345 -0.010 0.000 1.673 156 W CB -1.497 27.950 29.460 -0.022 0.000 1.115 156 W HN 0.368 nan 8.180 nan 0.000 0.686 157 N N 0.619 119.272 118.700 -0.078 0.000 2.305 157 N HA -0.123 4.616 4.740 -0.001 0.000 0.179 157 N C -0.043 175.423 175.510 -0.073 0.000 1.019 157 N CA 0.533 53.617 53.050 0.056 0.000 0.869 157 N CB -0.630 37.779 38.487 -0.130 0.000 1.000 157 N HN 0.002 nan 8.380 nan 0.000 0.431 158 Y N -0.041 120.240 120.300 -0.032 0.000 2.511 158 Y HA 0.429 4.979 4.550 -0.001 0.000 0.356 158 Y C -2.074 173.743 175.900 -0.139 0.000 1.002 158 Y CA -2.167 55.877 58.100 -0.093 0.000 1.127 158 Y CB 1.666 40.003 38.460 -0.206 0.000 1.137 158 Y HN 0.031 nan 8.280 nan 0.000 0.652 159 P HA -0.230 nan 4.420 nan 0.000 0.213 159 P C 1.814 179.118 177.300 0.007 0.000 1.170 159 P CA 1.225 64.334 63.100 0.016 0.000 0.902 159 P CB 0.514 32.245 31.700 0.050 0.000 0.789 160 L N -1.556 119.684 121.223 0.030 0.000 2.179 160 L HA -0.013 4.326 4.340 -0.001 0.000 0.208 160 L C 2.180 179.059 176.870 0.016 0.000 1.096 160 L CA 1.347 56.221 54.840 0.057 0.000 0.779 160 L CB -1.495 40.618 42.059 0.090 0.000 0.922 160 L HN -0.165 nan 8.230 nan 0.000 0.443 161 L N -0.470 120.727 121.223 -0.043 0.000 1.989 161 L HA -0.256 4.083 4.340 -0.001 0.000 0.211 161 L C 2.471 179.007 176.870 -0.558 0.000 1.071 161 L CA 1.890 56.604 54.840 -0.210 0.000 0.749 161 L CB -0.619 41.299 42.059 -0.235 0.000 0.890 161 L HN 0.378 nan 8.230 nan 0.000 0.431 162 Q N -0.873 118.608 119.800 -0.531 0.000 2.170 162 Q HA -0.158 4.181 4.340 -0.001 0.000 0.203 162 Q C 2.232 178.086 176.000 -0.242 0.000 0.976 162 Q CA 1.621 57.089 55.803 -0.558 0.000 0.858 162 Q CB -0.350 28.155 28.738 -0.388 0.000 0.907 162 Q HN 0.708 nan 8.270 nan 0.000 0.433 163 A N 0.704 123.458 122.820 -0.110 0.000 1.898 163 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 163 A C 2.232 179.824 177.584 0.013 0.000 1.181 163 A CA 1.680 53.721 52.037 0.007 0.000 0.620 163 A CB -0.727 18.325 19.000 0.086 0.000 0.819 163 A HN 0.460 nan 8.150 nan 0.000 0.442 164 S N -1.498 114.208 115.700 0.009 0.000 2.382 164 S HA -0.201 4.269 4.470 -0.001 0.000 0.228 164 S C 1.681 176.232 174.600 -0.081 0.000 1.027 164 S CA 1.301 59.443 58.200 -0.096 0.000 0.991 164 S CB -0.719 62.487 63.200 0.010 0.000 0.823 164 S HN 0.637 nan 8.310 nan 0.000 0.469 165 W N 2.508 123.692 121.300 -0.193 0.000 2.392 165 W HA 0.215 4.874 4.660 -0.001 0.000 0.279 165 W C 2.304 178.695 176.519 -0.213 0.000 1.225 165 W CA 0.228 57.475 57.345 -0.163 0.000 1.233 165 W CB -0.403 28.990 29.460 -0.111 0.000 1.122 165 W HN 0.451 nan 8.180 nan 0.000 0.561 166 K N -0.710 119.709 120.400 0.032 0.000 2.190 166 K HA 0.080 4.400 4.320 -0.001 0.000 0.202 166 K C 1.932 178.362 176.600 -0.284 0.000 1.045 166 K CA 0.758 57.021 56.287 -0.040 0.000 0.976 166 K CB -0.456 32.097 32.500 0.089 0.000 0.849 166 K HN 0.007 nan 8.250 nan 0.000 0.468 167 I N 1.835 122.288 120.570 -0.196 0.000 2.179 167 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 167 I C 2.596 178.536 176.117 -0.296 0.000 1.088 167 I CA 1.190 62.372 61.300 -0.197 0.000 1.357 167 I CB -0.433 37.545 38.000 -0.037 0.000 1.051 167 I HN 0.144 nan 8.210 nan 0.000 0.409 168 A N 1.608 124.152 122.820 -0.460 0.000 1.873 168 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 168 A C 0.082 177.380 177.584 -0.477 0.000 1.193 168 A CA 2.110 53.882 52.037 -0.441 0.000 0.629 168 A CB -2.063 16.578 19.000 -0.598 0.000 0.826 168 A HN 0.306 nan 8.150 nan 0.000 0.447 169 P HA -0.017 nan 4.420 nan 0.000 0.220 169 P C 1.603 178.532 177.300 -0.620 0.000 1.152 169 P CA 1.683 64.268 63.100 -0.857 0.000 0.812 169 P CB -0.166 30.910 31.700 -1.040 0.000 0.792 170 A N 0.590 122.861 122.820 -0.915 0.000 1.883 170 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 170 A C 2.402 179.944 177.584 -0.070 0.000 1.186 170 A CA 1.588 53.298 52.037 -0.545 0.000 0.624 170 A CB -1.660 17.076 19.000 -0.440 0.000 0.822 170 A HN 0.122 nan 8.150 nan 0.000 0.444 171 L N -1.031 120.174 121.223 -0.031 0.000 2.072 171 L HA -0.138 4.201 4.340 -0.001 0.000 0.205 171 L C 3.109 180.231 176.870 0.420 0.000 1.079 171 L CA 0.901 55.904 54.840 0.273 0.000 0.752 171 L CB -0.598 41.527 42.059 0.109 0.000 0.906 171 L HN 0.439 nan 8.230 nan 0.000 0.436 172 A N 0.344 123.282 122.820 0.196 0.000 1.908 172 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 172 A C 2.371 180.008 177.584 0.089 0.000 1.181 172 A CA 2.407 54.543 52.037 0.164 0.000 0.627 172 A CB -0.958 18.128 19.000 0.143 0.000 0.818 172 A HN 0.528 nan 8.150 nan 0.000 0.445 173 T N -4.663 109.943 114.554 0.086 0.000 3.088 173 T HA 0.386 4.735 4.350 -0.001 0.000 0.259 173 T C 1.351 176.091 174.700 0.066 0.000 1.122 173 T CA 1.163 63.311 62.100 0.080 0.000 1.095 173 T CB 0.109 69.058 68.868 0.135 0.000 0.930 173 T HN 1.762 nan 8.240 nan 0.000 0.508 174 G N 0.179 109.041 108.800 0.103 0.000 2.148 174 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.203 174 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.203 174 G C 0.224 175.365 174.900 0.402 0.000 0.993 174 G CA -0.377 44.740 45.100 0.029 0.000 0.661 174 G HN 0.707 nan 8.290 nan 0.000 0.518 175 C N 0.877 120.437 119.300 0.433 0.000 2.649 175 C HA 0.685 5.145 4.460 -0.001 0.000 0.377 175 C C 1.336 176.596 174.990 0.450 0.000 1.321 175 C CA 0.135 59.425 59.018 0.454 0.000 2.368 175 C CB 1.151 29.073 27.740 0.304 0.000 2.597 175 C HN 0.572 nan 8.230 nan 0.000 0.678 176 S N 0.883 116.813 115.700 0.384 0.000 2.525 176 S HA 0.765 5.235 4.470 -0.001 0.000 0.290 176 S C -0.625 174.053 174.600 0.129 0.000 1.152 176 S CA -0.529 57.810 58.200 0.231 0.000 1.072 176 S CB 1.095 64.444 63.200 0.248 0.000 1.027 176 S HN 0.567 nan 8.310 nan 0.000 0.500 177 L N 0.198 121.468 121.223 0.078 0.000 2.371 177 L HA 0.949 5.288 4.340 -0.001 0.000 0.262 177 L C -1.273 175.646 176.870 0.082 0.000 1.006 177 L CA -0.872 54.016 54.840 0.079 0.000 0.818 177 L CB 1.518 43.614 42.059 0.062 0.000 1.354 177 L HN 0.335 nan 8.230 nan 0.000 0.415 178 V N 2.864 122.825 119.914 0.078 0.000 2.443 178 V HA 0.613 4.733 4.120 -0.001 0.000 0.293 178 V C -0.249 175.892 176.094 0.078 0.000 1.021 178 V CA -0.213 62.122 62.300 0.057 0.000 0.848 178 V CB 1.400 33.230 31.823 0.011 0.000 0.998 178 V HN 0.959 nan 8.190 nan 0.000 0.424 179 M N 5.190 124.844 119.600 0.090 0.000 2.404 179 M HA 0.582 5.061 4.480 -0.001 0.000 0.338 179 M C -0.801 175.510 176.300 0.018 0.000 1.150 179 M CA -0.047 55.313 55.300 0.101 0.000 1.016 179 M CB 1.390 34.135 32.600 0.242 0.000 1.672 179 M HN 0.547 nan 8.290 nan 0.000 0.448 180 K N 6.796 127.225 120.400 0.048 0.000 2.640 180 K HA 0.539 4.858 4.320 -0.001 0.000 0.245 180 K C -2.986 173.651 176.600 0.062 0.000 0.962 180 K CA -1.645 54.663 56.287 0.035 0.000 0.896 180 K CB 1.745 34.272 32.500 0.044 0.000 1.147 180 K HN 0.451 nan 8.250 nan 0.000 0.445 181 P HA 0.001 nan 4.420 nan 0.000 0.274 181 P C -0.305 177.046 177.300 0.086 0.000 1.256 181 P CA -0.372 62.771 63.100 0.072 0.000 0.795 181 P CB 0.835 32.584 31.700 0.081 0.000 1.038 182 S N 0.396 116.156 115.700 0.100 0.000 2.552 182 S HA -0.041 4.428 4.470 -0.001 0.000 0.289 182 S C 1.608 176.287 174.600 0.131 0.000 1.304 182 S CA -0.293 57.994 58.200 0.144 0.000 1.063 182 S CB -0.201 63.136 63.200 0.228 0.000 0.848 182 S HN 0.493 nan 8.310 nan 0.000 0.499 183 E N 5.136 125.406 120.200 0.117 0.000 2.204 183 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 183 E C 1.651 178.304 176.600 0.088 0.000 0.990 183 E CA 1.574 58.028 56.400 0.090 0.000 0.821 183 E CB -0.627 29.116 29.700 0.070 0.000 0.750 183 E HN 0.942 nan 8.360 nan 0.000 0.477 184 I N -0.267 120.359 120.570 0.094 0.000 3.728 184 I HA 0.141 4.310 4.170 -0.001 0.000 0.307 184 I C 0.568 176.736 176.117 0.085 0.000 1.276 184 I CA 0.684 62.022 61.300 0.063 0.000 1.285 184 I CB 0.056 38.052 38.000 -0.007 0.000 1.038 184 I HN -0.039 nan 8.210 nan 0.000 0.445 185 T N -1.292 113.334 114.554 0.121 0.000 3.542 185 T HA 0.440 4.790 4.350 -0.001 0.000 0.276 185 T C -2.152 172.612 174.700 0.108 0.000 1.412 185 T CA -1.086 61.085 62.100 0.118 0.000 1.664 185 T CB 0.921 69.881 68.868 0.154 0.000 0.863 185 T HN 0.077 nan 8.240 nan 0.000 0.661 186 P HA 0.290 nan 4.420 nan 0.000 0.264 186 P C 1.530 178.888 177.300 0.096 0.000 1.259 186 P CA -0.272 62.894 63.100 0.110 0.000 0.841 186 P CB 0.367 32.147 31.700 0.132 0.000 1.232 187 L N 0.554 121.811 121.223 0.057 0.000 1.994 187 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 187 L C 2.606 179.480 176.870 0.007 0.000 1.071 187 L CA 2.599 57.430 54.840 -0.016 0.000 0.745 187 L CB -2.014 39.991 42.059 -0.090 0.000 0.892 187 L HN 0.093 nan 8.230 nan 0.000 0.431 188 T N -4.766 109.806 114.554 0.031 0.000 2.995 188 T HA -0.102 4.248 4.350 -0.001 0.000 0.269 188 T C 1.724 176.485 174.700 0.101 0.000 1.091 188 T CA 1.411 63.541 62.100 0.049 0.000 1.128 188 T CB -0.496 68.401 68.868 0.047 0.000 0.891 188 T HN 0.216 nan 8.240 nan 0.000 0.492 189 T N 2.050 116.682 114.554 0.130 0.000 2.857 189 T HA 0.210 4.559 4.350 -0.001 0.000 0.266 189 T C 1.903 176.779 174.700 0.294 0.000 1.048 189 T CA 0.773 63.000 62.100 0.211 0.000 1.139 189 T CB -0.348 68.629 68.868 0.181 0.000 0.874 189 T HN 0.366 nan 8.240 nan 0.000 0.455 190 I N 0.934 121.634 120.570 0.217 0.000 2.127 190 I HA -0.204 3.965 4.170 -0.001 0.000 0.241 190 I C 2.811 179.084 176.117 0.261 0.000 1.075 190 I CA 1.249 62.715 61.300 0.277 0.000 1.334 190 I CB -0.275 37.852 38.000 0.210 0.000 1.040 190 I HN 0.070 nan 8.210 nan 0.000 0.405 191 R N 0.777 121.352 120.500 0.124 0.000 2.091 191 R HA -0.159 4.181 4.340 -0.001 0.000 0.238 191 R C 2.200 178.543 176.300 0.071 0.000 1.136 191 R CA 1.607 57.736 56.100 0.050 0.000 0.959 191 R CB -0.934 29.359 30.300 -0.011 0.000 0.856 191 R HN 0.256 nan 8.270 nan 0.000 0.437 192 V N -0.163 119.817 119.914 0.110 0.000 2.515 192 V HA -0.157 3.963 4.120 -0.001 0.000 0.250 192 V C 1.664 177.754 176.094 -0.008 0.000 1.058 192 V CA 1.678 64.001 62.300 0.038 0.000 1.064 192 V CB -0.440 31.411 31.823 0.046 0.000 0.675 192 V HN 0.320 nan 8.190 nan 0.000 0.461 193 F N 0.886 120.860 119.950 0.041 0.000 2.171 193 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 193 F C 2.386 178.212 175.800 0.044 0.000 1.090 193 F CA 2.084 60.079 58.000 -0.009 0.000 1.293 193 F CB -0.327 38.662 39.000 -0.018 0.000 1.013 193 F HN 0.254 nan 8.300 nan 0.000 0.486 194 E N 0.184 120.585 120.200 0.335 0.000 2.058 194 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 194 E C 2.283 178.915 176.600 0.053 0.000 0.997 194 E CA 1.477 58.002 56.400 0.209 0.000 0.801 194 E CB -0.411 29.306 29.700 0.027 0.000 0.746 194 E HN 0.404 nan 8.360 nan 0.000 0.450 195 L N 0.163 121.375 121.223 -0.018 0.000 2.056 195 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 195 L C 2.604 179.453 176.870 -0.034 0.000 1.078 195 L CA 0.951 55.758 54.840 -0.054 0.000 0.749 195 L CB -0.347 41.659 42.059 -0.089 0.000 0.901 195 L HN 0.215 nan 8.230 nan 0.000 0.433 196 M N -0.592 118.961 119.600 -0.079 0.000 2.159 196 M HA -0.230 4.249 4.480 -0.001 0.000 0.263 196 M C 2.240 178.598 176.300 0.098 0.000 1.063 196 M CA 1.648 56.936 55.300 -0.019 0.000 1.110 196 M CB -0.442 31.982 32.600 -0.294 0.000 1.374 196 M HN 0.252 nan 8.290 nan 0.000 0.411 197 E N 0.868 121.070 120.200 0.003 0.000 2.118 197 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 197 E C 1.676 178.315 176.600 0.066 0.000 0.992 197 E CA 1.360 57.788 56.400 0.046 0.000 0.804 197 E CB 0.080 29.794 29.700 0.022 0.000 0.741 197 E HN 0.536 nan 8.360 nan 0.000 0.458 198 E N -0.138 120.090 120.200 0.045 0.000 2.077 198 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 198 E C 2.216 178.810 176.600 -0.010 0.000 0.989 198 E CA 1.352 57.769 56.400 0.027 0.000 0.800 198 E CB 0.073 29.787 29.700 0.024 0.000 0.746 198 E HN 0.165 nan 8.360 nan 0.000 0.452 199 V N 0.172 120.071 119.914 -0.024 0.000 2.343 199 V HA -0.127 3.993 4.120 -0.001 0.000 0.247 199 V C 1.084 177.020 176.094 -0.264 0.000 1.051 199 V CA 1.395 63.626 62.300 -0.115 0.000 1.036 199 V CB -0.851 30.920 31.823 -0.085 0.000 0.654 199 V HN 0.534 nan 8.190 nan 0.000 0.451 200 G N -0.347 108.286 108.800 -0.278 0.000 3.439 200 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.686 200 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.686 200 G C -0.949 173.543 174.900 -0.679 0.000 1.075 200 G CA -0.709 44.218 45.100 -0.289 0.000 0.926 200 G HN 0.196 nan 8.290 nan 0.000 0.485 201 F N 2.124 121.998 119.950 -0.126 0.000 2.588 201 F HA 0.694 5.221 4.527 -0.001 0.000 0.314 201 F C -1.798 173.940 175.800 -0.103 0.000 1.069 201 F CA -2.200 55.659 58.000 -0.235 0.000 0.931 201 F CB 2.049 40.791 39.000 -0.430 0.000 1.260 201 F HN 0.306 nan 8.300 nan 0.000 0.465 202 P HA 0.059 nan 4.420 nan 0.000 0.266 202 P C -1.054 176.301 177.300 0.092 0.000 1.195 202 P CA -0.518 62.648 63.100 0.109 0.000 0.768 202 P CB 0.341 32.136 31.700 0.158 0.000 0.838 203 K N 1.708 122.150 120.400 0.069 0.000 2.489 203 K HA 0.270 4.590 4.320 -0.001 0.000 0.278 203 K C 0.932 177.546 176.600 0.023 0.000 1.000 203 K CA 0.235 56.544 56.287 0.036 0.000 1.012 203 K CB -0.508 31.995 32.500 0.005 0.000 0.903 203 K HN 0.705 nan 8.250 nan 0.000 0.485 204 G N 2.359 111.154 108.800 -0.007 0.000 2.241 204 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.244 204 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.244 204 G C 0.937 175.856 174.900 0.031 0.000 0.998 204 G CA 0.419 45.519 45.100 -0.001 0.000 0.621 204 G HN 0.652 nan 8.290 nan 0.000 0.519 205 T N 0.846 115.417 114.554 0.030 0.000 2.746 205 T HA 0.199 4.548 4.350 -0.001 0.000 0.267 205 T C 1.333 175.994 174.700 -0.065 0.000 1.039 205 T CA 1.478 63.567 62.100 -0.019 0.000 1.142 205 T CB -0.154 68.617 68.868 -0.162 0.000 0.866 205 T HN 1.140 nan 8.240 nan 0.000 0.444 206 I N -0.817 119.734 120.570 -0.031 0.000 2.545 206 I HA 0.609 4.779 4.170 -0.001 0.000 0.292 206 I C -1.429 174.851 176.117 0.272 0.000 1.040 206 I CA -1.098 60.239 61.300 0.063 0.000 1.068 206 I CB 2.111 40.036 38.000 -0.126 0.000 1.251 206 I HN -0.145 nan 8.210 nan 0.000 0.424 207 N N 5.485 124.363 118.700 0.296 0.000 2.287 207 N HA 0.488 5.227 4.740 -0.001 0.000 0.289 207 N C -1.857 173.590 175.510 -0.105 0.000 1.066 207 N CA -0.551 52.560 53.050 0.102 0.000 0.841 207 N CB 3.236 41.705 38.487 -0.029 0.000 1.599 207 N HN 0.549 nan 8.380 nan 0.000 0.476 208 L N 2.995 123.952 121.223 -0.444 0.000 2.319 208 L HA 0.565 4.904 4.340 -0.001 0.000 0.281 208 L C -1.225 175.463 176.870 -0.304 0.000 1.005 208 L CA -0.541 53.889 54.840 -0.684 0.000 0.828 208 L CB 0.723 42.011 42.059 -1.285 0.000 1.227 208 L HN 0.428 nan 8.230 nan 0.000 0.415 209 I N 6.093 126.555 120.570 -0.181 0.000 2.412 209 I HA 0.396 4.565 4.170 -0.001 0.000 0.296 209 I C -0.390 175.698 176.117 -0.049 0.000 0.987 209 I CA -0.508 60.739 61.300 -0.089 0.000 1.180 209 I CB 1.656 39.624 38.000 -0.052 0.000 1.340 209 I HN 0.549 nan 8.210 nan 0.000 0.455 210 L N 5.139 126.354 121.223 -0.014 0.000 2.333 210 L HA 0.894 5.233 4.340 -0.001 0.000 0.280 210 L C 0.224 177.109 176.870 0.026 0.000 1.004 210 L CA -0.299 54.554 54.840 0.021 0.000 0.820 210 L CB 1.944 44.032 42.059 0.048 0.000 1.247 210 L HN 0.823 nan 8.230 nan 0.000 0.416 211 G N 1.506 110.328 108.800 0.036 0.000 2.321 211 G HA2 0.447 4.407 3.960 -0.001 0.000 0.298 211 G HA3 0.447 4.407 3.960 -0.001 0.000 0.298 211 G C -1.724 173.201 174.900 0.042 0.000 1.385 211 G CA -0.259 44.862 45.100 0.034 0.000 0.856 211 G HN 0.723 nan 8.290 nan 0.000 0.584 212 A N -0.341 122.500 122.820 0.035 0.000 2.440 212 A HA 0.612 4.931 4.320 -0.001 0.000 0.251 212 A C 1.758 179.364 177.584 0.037 0.000 1.089 212 A CA 1.147 53.206 52.037 0.038 0.000 0.779 212 A CB 0.611 19.627 19.000 0.026 0.000 1.022 212 A HN 2.237 nan 8.150 nan 0.000 0.492 213 G N 0.973 109.801 108.800 0.046 0.000 2.442 213 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 213 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 213 G C 1.673 176.579 174.900 0.009 0.000 1.141 213 G CA 1.444 46.568 45.100 0.040 0.000 0.763 213 G HN 1.208 nan 8.290 nan 0.000 0.554 214 S N -0.216 115.482 115.700 -0.004 0.000 2.474 214 S HA -0.000 4.469 4.470 -0.001 0.000 0.235 214 S C 1.884 176.484 174.600 -0.000 0.000 0.997 214 S CA 1.515 59.703 58.200 -0.020 0.000 0.949 214 S CB 0.098 63.284 63.200 -0.024 0.000 0.766 214 S HN 0.635 nan 8.310 nan 0.000 0.517 215 E N 0.883 121.090 120.200 0.011 0.000 2.110 215 E HA -0.004 4.345 4.350 -0.001 0.000 0.193 215 E C 1.827 178.439 176.600 0.021 0.000 0.950 215 E CA 0.964 57.373 56.400 0.015 0.000 0.840 215 E CB 0.314 30.023 29.700 0.013 0.000 0.809 215 E HN 0.475 nan 8.360 nan 0.000 0.465 216 V N -2.504 117.424 119.914 0.023 0.000 3.661 216 V HA 0.411 4.531 4.120 -0.001 0.000 0.271 216 V C 1.911 178.025 176.094 0.035 0.000 1.315 216 V CA 0.695 63.010 62.300 0.025 0.000 1.072 216 V CB 0.233 32.068 31.823 0.019 0.000 0.830 216 V HN 0.249 nan 8.190 nan 0.000 0.443 217 G N 0.838 109.661 108.800 0.039 0.000 2.418 217 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 217 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 217 G C 1.089 176.022 174.900 0.056 0.000 1.158 217 G CA 1.263 46.391 45.100 0.047 0.000 0.771 217 G HN 0.514 nan 8.290 nan 0.000 0.545 218 D N -0.304 120.137 120.400 0.068 0.000 2.178 218 D HA -0.076 4.564 4.640 -0.001 0.000 0.202 218 D C 2.506 178.840 176.300 0.057 0.000 0.974 218 D CA 0.610 54.655 54.000 0.075 0.000 0.841 218 D CB -0.334 40.521 40.800 0.093 0.000 0.953 218 D HN 0.167 nan 8.370 nan 0.000 0.478 219 V N 0.197 120.147 119.914 0.060 0.000 2.548 219 V HA -0.142 3.977 4.120 -0.001 0.000 0.249 219 V C 1.996 178.138 176.094 0.080 0.000 1.055 219 V CA 1.100 63.449 62.300 0.083 0.000 1.065 219 V CB -0.204 31.667 31.823 0.080 0.000 0.681 219 V HN 0.138 nan 8.190 nan 0.000 0.462 220 M N 0.384 120.015 119.600 0.052 0.000 2.229 220 M HA -0.100 4.380 4.480 -0.001 0.000 0.264 220 M C 2.221 178.552 176.300 0.051 0.000 1.063 220 M CA 2.068 57.396 55.300 0.046 0.000 1.114 220 M CB -0.289 32.339 32.600 0.045 0.000 1.387 220 M HN 0.627 nan 8.290 nan 0.000 0.420 221 S N -1.134 114.590 115.700 0.040 0.000 2.470 221 S HA 0.096 4.565 4.470 -0.001 0.000 0.222 221 S C 1.697 176.302 174.600 0.009 0.000 1.024 221 S CA 0.601 58.810 58.200 0.016 0.000 0.931 221 S CB -0.189 63.003 63.200 -0.013 0.000 0.791 221 S HN 0.471 nan 8.310 nan 0.000 0.513 222 G N -0.234 108.581 108.800 0.025 0.000 3.192 222 G HA2 0.223 4.182 3.960 -0.001 0.000 0.239 222 G HA3 0.223 4.182 3.960 -0.001 0.000 0.239 222 G C 0.004 174.912 174.900 0.012 0.000 1.084 222 G CA -0.475 44.626 45.100 0.003 0.000 0.784 222 G HN 0.590 nan 8.290 nan 0.000 0.540 223 H N 1.156 120.215 119.070 -0.018 0.000 2.732 223 H HA 0.238 4.793 4.556 -0.001 0.000 0.351 223 H C 2.008 177.324 175.328 -0.021 0.000 1.090 223 H CA 0.173 56.211 56.048 -0.016 0.000 1.431 223 H CB 1.185 30.941 29.762 -0.011 0.000 1.447 223 H HN 0.159 nan 8.280 nan 0.000 0.582 224 K N 2.901 123.079 120.400 -0.370 0.000 2.362 224 K HA -0.088 4.231 4.320 -0.001 0.000 0.200 224 K C 0.495 177.108 176.600 0.023 0.000 1.046 224 K CA 1.253 57.453 56.287 -0.146 0.000 0.952 224 K CB 0.329 32.711 32.500 -0.196 0.000 0.753 224 K HN 0.516 nan 8.250 nan 0.000 0.466 225 E N 1.316 121.670 120.200 0.258 0.000 2.489 225 E HA 0.059 4.408 4.350 -0.001 0.000 0.193 225 E C -0.084 176.566 176.600 0.083 0.000 1.057 225 E CA 0.080 56.588 56.400 0.180 0.000 0.866 225 E CB 0.374 30.203 29.700 0.215 0.000 0.916 225 E HN 0.094 nan 8.360 nan 0.000 0.500 226 V N 2.323 122.290 119.914 0.089 0.000 2.498 226 V HA 0.051 4.171 4.120 -0.001 0.000 0.279 226 V C 1.006 177.089 176.094 -0.019 0.000 1.048 226 V CA -0.072 62.242 62.300 0.024 0.000 0.967 226 V CB 1.564 33.413 31.823 0.043 0.000 0.988 226 V HN 0.011 nan 8.190 nan 0.000 0.473 227 D N 2.724 123.090 120.400 -0.056 0.000 2.388 227 D HA 0.206 4.846 4.640 -0.001 0.000 0.208 227 D C -0.017 176.241 176.300 -0.069 0.000 1.035 227 D CA 0.539 54.495 54.000 -0.074 0.000 0.875 227 D CB 1.365 42.092 40.800 -0.123 0.000 0.984 227 D HN 0.338 nan 8.370 nan 0.000 0.508 228 L N 0.652 121.839 121.223 -0.060 0.000 2.526 228 L HA 0.327 4.667 4.340 -0.001 0.000 0.263 228 L C -1.797 175.055 176.870 -0.030 0.000 0.943 228 L CA -0.672 54.124 54.840 -0.073 0.000 0.859 228 L CB 2.366 44.333 42.059 -0.152 0.000 1.313 228 L HN -0.351 nan 8.230 nan 0.000 0.406 229 V N 3.150 123.054 119.914 -0.017 0.000 2.417 229 V HA 0.700 4.820 4.120 -0.001 0.000 0.291 229 V C -0.093 176.031 176.094 0.050 0.000 1.024 229 V CA -0.399 61.920 62.300 0.031 0.000 0.861 229 V CB 1.487 33.328 31.823 0.031 0.000 0.985 229 V HN 0.807 nan 8.190 nan 0.000 0.436 230 S N 5.282 121.041 115.700 0.100 0.000 2.498 230 S HA 0.750 5.219 4.470 -0.001 0.000 0.317 230 S C -1.255 173.470 174.600 0.209 0.000 1.090 230 S CA -0.430 57.847 58.200 0.129 0.000 1.089 230 S CB 0.588 63.868 63.200 0.133 0.000 0.997 230 S HN 0.586 nan 8.310 nan 0.000 0.470 231 F N 3.719 123.695 119.950 0.043 0.000 2.556 231 F HA 0.680 5.206 4.527 -0.001 0.000 0.314 231 F C -0.643 175.177 175.800 0.034 0.000 1.106 231 F CA -0.178 57.843 58.000 0.036 0.000 0.911 231 F CB 2.140 41.157 39.000 0.028 0.000 1.190 231 F HN 0.432 nan 8.300 nan 0.000 0.448 232 T N 4.463 118.479 114.554 -0.897 0.000 2.841 232 T HA 0.804 5.153 4.350 -0.001 0.000 0.285 232 T C -0.162 173.781 174.700 -1.261 0.000 0.991 232 T CA -0.179 61.452 62.100 -0.783 0.000 0.966 232 T CB 1.284 69.934 68.868 -0.363 0.000 0.962 232 T HN 1.123 nan 8.240 nan 0.000 0.438 233 G N 1.745 109.993 108.800 -0.921 0.000 2.498 233 G HA2 0.556 4.516 3.960 -0.001 0.000 0.181 233 G HA3 0.556 4.516 3.960 -0.001 0.000 0.181 233 G C -0.408 174.405 174.900 -0.146 0.000 1.169 233 G CA -0.129 44.639 45.100 -0.554 0.000 0.992 233 G HN 0.880 nan 8.290 nan 0.000 0.490 234 G N -0.945 107.899 108.800 0.074 0.000 2.488 234 G HA2 0.521 4.480 3.960 -0.001 0.000 0.318 234 G HA3 0.521 4.480 3.960 -0.001 0.000 0.318 234 G C 0.926 175.950 174.900 0.206 0.000 1.188 234 G CA -0.023 45.120 45.100 0.072 0.000 0.944 234 G HN 0.918 nan 8.290 nan 0.000 0.495 235 I N -0.512 120.161 120.570 0.173 0.000 2.286 235 I HA -0.114 4.056 4.170 -0.001 0.000 0.248 235 I C 2.445 178.624 176.117 0.103 0.000 1.115 235 I CA 1.374 62.771 61.300 0.162 0.000 1.392 235 I CB 0.052 38.155 38.000 0.171 0.000 1.065 235 I HN 0.720 nan 8.210 nan 0.000 0.418 236 E N -0.160 120.095 120.200 0.091 0.000 2.047 236 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 236 E C 2.022 178.639 176.600 0.029 0.000 0.987 236 E CA 1.926 58.360 56.400 0.057 0.000 0.799 236 E CB -0.159 29.574 29.700 0.054 0.000 0.752 236 E HN 0.467 nan 8.360 nan 0.000 0.449 237 T N 0.239 114.801 114.554 0.015 0.000 2.821 237 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 237 T C 1.883 176.408 174.700 -0.293 0.000 1.046 237 T CA 1.100 63.132 62.100 -0.113 0.000 1.139 237 T CB -0.485 68.343 68.868 -0.066 0.000 0.871 237 T HN 0.358 nan 8.240 nan 0.000 0.454 238 G N 1.784 110.470 108.800 -0.191 0.000 2.440 238 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.218 238 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.218 238 G C 1.605 176.442 174.900 -0.105 0.000 1.154 238 G CA 0.737 45.721 45.100 -0.193 0.000 0.767 238 G HN 0.434 nan 8.290 nan 0.000 0.552 239 K N -0.635 119.749 120.400 -0.028 0.000 2.097 239 K HA -0.072 4.247 4.320 -0.001 0.000 0.205 239 K C 2.202 178.782 176.600 -0.033 0.000 1.050 239 K CA 1.232 57.508 56.287 -0.019 0.000 0.938 239 K CB -0.272 32.230 32.500 0.004 0.000 0.718 239 K HN 0.515 nan 8.250 nan 0.000 0.442 240 H N 0.945 119.950 119.070 -0.109 0.000 2.321 240 H HA -0.047 4.508 4.556 -0.001 0.000 0.300 240 H C 1.866 177.116 175.328 -0.130 0.000 1.087 240 H CA 1.771 57.756 56.048 -0.106 0.000 1.319 240 H CB -0.016 29.684 29.762 -0.103 0.000 1.379 240 H HN 0.060 nan 8.280 nan 0.000 0.501 241 I N -0.131 120.379 120.570 -0.100 0.000 2.226 241 I HA -0.305 3.865 4.170 -0.001 0.000 0.245 241 I C 2.702 178.732 176.117 -0.145 0.000 1.100 241 I CA 1.646 62.851 61.300 -0.158 0.000 1.374 241 I CB -0.253 37.573 38.000 -0.289 0.000 1.057 241 I HN 0.438 nan 8.210 nan 0.000 0.413 242 M N 0.727 120.254 119.600 -0.122 0.000 2.117 242 M HA -0.259 4.220 4.480 -0.001 0.000 0.262 242 M C 2.229 178.467 176.300 -0.104 0.000 1.065 242 M CA 1.919 57.166 55.300 -0.088 0.000 1.114 242 M CB -0.079 32.485 32.600 -0.060 0.000 1.361 242 M HN 0.015 nan 8.290 nan 0.000 0.408 243 K N -0.250 120.069 120.400 -0.135 0.000 2.097 243 K HA -0.166 4.154 4.320 -0.001 0.000 0.206 243 K C 1.702 178.203 176.600 -0.166 0.000 1.049 243 K CA 1.595 57.795 56.287 -0.145 0.000 0.933 243 K CB -0.300 32.101 32.500 -0.165 0.000 0.717 243 K HN 0.352 nan 8.250 nan 0.000 0.442 244 N N 0.690 119.259 118.700 -0.218 0.000 2.250 244 N HA -0.055 4.684 4.740 -0.001 0.000 0.181 244 N C 1.489 176.934 175.510 -0.108 0.000 1.017 244 N CA 1.088 54.028 53.050 -0.183 0.000 0.866 244 N CB -0.026 38.331 38.487 -0.216 0.000 0.985 244 N HN 0.163 nan 8.380 nan 0.000 0.429 245 A N 0.335 123.099 122.820 -0.094 0.000 1.972 245 A HA 0.036 4.355 4.320 -0.001 0.000 0.219 245 A C 2.241 179.789 177.584 -0.061 0.000 1.169 245 A CA 1.677 53.676 52.037 -0.063 0.000 0.635 245 A CB -1.009 17.959 19.000 -0.054 0.000 0.810 245 A HN 0.365 nan 8.150 nan 0.000 0.446 246 A N 0.515 123.294 122.820 -0.069 0.000 2.024 246 A HA -0.202 4.117 4.320 -0.001 0.000 0.220 246 A C 1.784 179.334 177.584 -0.058 0.000 1.164 246 A CA 1.611 53.611 52.037 -0.061 0.000 0.643 246 A CB -0.634 18.329 19.000 -0.063 0.000 0.806 246 A HN 0.575 nan 8.150 nan 0.000 0.451 247 N N 0.823 119.485 118.700 -0.064 0.000 2.272 247 N HA -0.109 4.631 4.740 -0.001 0.000 0.185 247 N C 0.476 175.953 175.510 -0.056 0.000 1.014 247 N CA 1.224 54.238 53.050 -0.060 0.000 0.870 247 N CB -0.301 38.147 38.487 -0.065 0.000 0.975 247 N HN 0.545 nan 8.380 nan 0.000 0.433 248 N N 0.089 118.757 118.700 -0.054 0.000 2.235 248 N HA 0.080 4.819 4.740 -0.001 0.000 0.231 248 N C -0.174 175.310 175.510 -0.043 0.000 1.177 248 N CA 0.012 53.033 53.050 -0.050 0.000 0.874 248 N CB 1.537 39.993 38.487 -0.051 0.000 1.097 248 N HN -0.189 nan 8.380 nan 0.000 0.518 249 V N 0.768 120.657 119.914 -0.043 0.000 5.325 249 V HA -0.230 3.889 4.120 -0.001 0.000 0.291 249 V C 0.154 176.224 176.094 -0.040 0.000 0.541 249 V CA 1.006 63.281 62.300 -0.040 0.000 0.687 249 V CB -2.932 28.870 31.823 -0.036 0.000 0.491 249 V HN 0.252 nan 8.190 nan 0.000 1.145 250 T N 2.230 116.759 114.554 -0.041 0.000 2.817 250 T HA 0.256 4.606 4.350 -0.001 0.000 0.293 250 T C 0.643 175.317 174.700 -0.044 0.000 0.964 250 T CA -0.403 61.673 62.100 -0.041 0.000 1.085 250 T CB 0.608 69.456 68.868 -0.034 0.000 0.921 250 T HN 0.542 nan 8.240 nan 0.000 0.502 251 N N 3.506 122.175 118.700 -0.051 0.000 2.356 251 N HA 0.048 4.787 4.740 -0.001 0.000 0.252 251 N C -0.128 175.349 175.510 -0.055 0.000 1.241 251 N CA 0.280 53.295 53.050 -0.059 0.000 0.861 251 N CB 0.416 38.855 38.487 -0.079 0.000 1.075 251 N HN 0.564 nan 8.380 nan 0.000 0.461 252 I N -1.845 118.696 120.570 -0.047 0.000 2.608 252 I HA 0.699 4.868 4.170 -0.001 0.000 0.295 252 I C -1.042 175.061 176.117 -0.024 0.000 1.049 252 I CA -1.208 60.075 61.300 -0.027 0.000 1.063 252 I CB 1.380 39.372 38.000 -0.013 0.000 1.248 252 I HN 0.358 nan 8.210 nan 0.000 0.424 253 A N 7.520 130.340 122.820 -0.000 0.000 2.335 253 A HA 0.823 5.142 4.320 -0.001 0.000 0.304 253 A C -1.127 176.512 177.584 0.091 0.000 1.118 253 A CA -0.544 51.504 52.037 0.017 0.000 0.757 253 A CB 1.021 20.008 19.000 -0.022 0.000 1.188 253 A HN 0.754 nan 8.150 nan 0.000 0.460 254 L N 1.680 122.966 121.223 0.104 0.000 2.381 254 L HA 0.655 4.994 4.340 -0.001 0.000 0.268 254 L C -0.237 176.715 176.870 0.136 0.000 0.997 254 L CA -0.555 54.390 54.840 0.175 0.000 0.818 254 L CB 2.257 44.423 42.059 0.178 0.000 1.310 254 L HN 0.745 nan 8.230 nan 0.000 0.416 255 E N 3.774 124.049 120.200 0.126 0.000 2.244 255 E HA 0.352 4.701 4.350 -0.001 0.000 0.260 255 E C -1.041 175.601 176.600 0.070 0.000 0.884 255 E CA -0.345 56.118 56.400 0.105 0.000 0.777 255 E CB 1.894 31.687 29.700 0.154 0.000 1.197 255 E HN 0.652 nan 8.360 nan 0.000 0.416 256 L N 3.651 124.942 121.223 0.114 0.000 3.168 256 L HA 0.382 4.722 4.340 -0.001 0.000 0.277 256 L C 0.880 177.809 176.870 0.098 0.000 1.245 256 L CA 0.057 54.978 54.840 0.135 0.000 1.035 256 L CB 0.275 42.465 42.059 0.219 0.000 1.399 256 L HN 0.816 nan 8.230 nan 0.000 0.580 257 G N 0.283 109.107 108.800 0.040 0.000 2.632 257 G HA2 0.084 4.043 3.960 -0.001 0.000 0.224 257 G HA3 0.084 4.043 3.960 -0.001 0.000 0.224 257 G C -0.224 174.558 174.900 -0.196 0.000 1.341 257 G CA -0.436 44.646 45.100 -0.030 0.000 0.880 257 G HN 0.606 nan 8.290 nan 0.000 0.566 258 G N -1.592 106.926 108.800 -0.470 0.000 2.550 258 G HA2 0.694 4.654 3.960 -0.001 0.000 0.293 258 G HA3 0.694 4.654 3.960 -0.001 0.000 0.293 258 G C -1.383 173.148 174.900 -0.615 0.000 1.402 258 G CA 0.426 45.120 45.100 -0.677 0.000 0.784 258 G HN 1.298 nan 8.290 nan 0.000 0.482 259 K N 1.164 121.389 120.400 -0.291 0.000 2.562 259 K HA 0.335 4.655 4.320 -0.001 0.000 0.206 259 K C -0.666 175.953 176.600 0.033 0.000 1.033 259 K CA -0.724 55.540 56.287 -0.039 0.000 1.029 259 K CB -0.346 32.243 32.500 0.149 0.000 1.393 259 K HN 0.387 nan 8.250 nan 0.000 0.539 260 N N 4.877 123.611 118.700 0.057 0.000 2.422 260 N HA 0.268 5.008 4.740 -0.001 0.000 0.264 260 N C -2.559 173.050 175.510 0.164 0.000 1.063 260 N CA -1.435 51.684 53.050 0.116 0.000 0.959 260 N CB 1.188 39.804 38.487 0.215 0.000 1.087 260 N HN 0.383 nan 8.380 nan 0.000 0.483 261 P HA 0.144 nan 4.420 nan 0.000 0.284 261 P C -0.632 176.813 177.300 0.242 0.000 1.253 261 P CA -0.442 62.731 63.100 0.122 0.000 0.800 261 P CB 0.852 32.575 31.700 0.039 0.000 0.961 262 N N 3.399 122.231 118.700 0.220 0.000 2.569 262 N HA 0.288 5.028 4.740 -0.001 0.000 0.254 262 N C -1.016 174.597 175.510 0.172 0.000 1.004 262 N CA -0.572 52.665 53.050 0.311 0.000 0.904 262 N CB -0.073 38.521 38.487 0.178 0.000 1.165 262 N HN 0.273 nan 8.380 nan 0.000 0.513 263 I N 4.229 124.918 120.570 0.198 0.000 2.304 263 I HA 0.365 4.534 4.170 -0.001 0.000 0.291 263 I C 0.051 176.262 176.117 0.157 0.000 1.018 263 I CA -0.503 60.837 61.300 0.067 0.000 1.260 263 I CB 0.965 38.925 38.000 -0.066 0.000 1.390 263 I HN 0.306 nan 8.210 nan 0.000 0.475 264 I N 6.702 127.306 120.570 0.056 0.000 2.420 264 I HA 0.325 4.494 4.170 -0.001 0.000 0.282 264 I C -0.385 175.757 176.117 0.041 0.000 1.019 264 I CA -0.388 60.944 61.300 0.054 0.000 1.130 264 I CB 0.879 38.728 38.000 -0.253 0.000 1.262 264 I HN 0.335 nan 8.210 nan 0.000 0.454 265 F N 3.416 123.520 119.950 0.257 0.000 2.380 265 F HA 0.079 4.604 4.527 -0.002 0.000 0.325 265 F C 1.656 177.529 175.800 0.122 0.000 1.136 265 F CA 0.008 58.150 58.000 0.236 0.000 1.171 265 F CB 0.606 39.747 39.000 0.234 0.000 1.230 265 F HN 0.518 nan 8.300 nan 0.000 0.554 266 D N 0.523 121.098 120.400 0.292 0.000 2.172 266 D HA -0.249 4.391 4.640 -0.001 0.000 0.196 266 D C 1.177 177.598 176.300 0.201 0.000 0.999 266 D CA 1.885 55.994 54.000 0.182 0.000 0.856 266 D CB -0.082 40.801 40.800 0.138 0.000 0.934 266 D HN 0.564 nan 8.370 nan 0.000 0.453 267 D N -0.517 120.022 120.400 0.231 0.000 2.358 267 D HA 0.187 4.827 4.640 -0.001 0.000 0.224 267 D C 0.217 176.639 176.300 0.203 0.000 1.123 267 D CA -0.239 53.866 54.000 0.175 0.000 0.833 267 D CB -0.461 40.406 40.800 0.112 0.000 0.946 267 D HN 0.232 nan 8.370 nan 0.000 0.505 268 A N 0.538 123.519 122.820 0.269 0.000 2.406 268 A HA 0.159 4.478 4.320 -0.001 0.000 0.243 268 A C 0.382 178.115 177.584 0.249 0.000 1.082 268 A CA -0.326 51.882 52.037 0.286 0.000 0.786 268 A CB 0.189 19.377 19.000 0.314 0.000 1.029 268 A HN 0.193 nan 8.150 nan 0.000 0.495 269 D N 0.989 121.532 120.400 0.238 0.000 2.363 269 D HA -0.002 4.638 4.640 -0.001 0.000 0.263 269 D C 0.640 177.067 176.300 0.212 0.000 1.258 269 D CA 0.008 54.133 54.000 0.209 0.000 0.907 269 D CB 0.077 40.989 40.800 0.187 0.000 1.107 269 D HN 0.420 nan 8.370 nan 0.000 0.495 270 F N 4.175 124.182 119.950 0.095 0.000 2.084 270 F HA -0.148 4.378 4.527 -0.001 0.000 0.296 270 F C 1.930 177.774 175.800 0.074 0.000 1.111 270 F CA 1.296 59.352 58.000 0.093 0.000 1.224 270 F CB 0.215 39.266 39.000 0.084 0.000 0.991 270 F HN 0.367 nan 8.300 nan 0.000 0.471 271 E N 0.357 120.650 120.200 0.156 0.000 2.110 271 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 271 E C 2.005 178.576 176.600 -0.049 0.000 0.988 271 E CA 1.119 57.534 56.400 0.026 0.000 0.804 271 E CB -0.705 29.057 29.700 0.103 0.000 0.745 271 E HN 0.443 nan 8.360 nan 0.000 0.458 272 L N 0.086 121.312 121.223 0.005 0.000 2.046 272 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 272 L C 2.023 178.798 176.870 -0.158 0.000 1.077 272 L CA 2.153 56.998 54.840 0.007 0.000 0.747 272 L CB -0.743 41.392 42.059 0.126 0.000 0.896 272 L HN 0.109 nan 8.230 nan 0.000 0.432 273 A N -1.219 121.441 122.820 -0.266 0.000 1.933 273 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 273 A C 2.247 179.633 177.584 -0.331 0.000 1.175 273 A CA 1.863 53.582 52.037 -0.530 0.000 0.628 273 A CB -1.049 17.736 19.000 -0.358 0.000 0.814 273 A HN 0.313 nan 8.150 nan 0.000 0.444 274 V N 0.428 120.164 119.914 -0.297 0.000 2.295 274 V HA -0.278 3.842 4.120 -0.001 0.000 0.246 274 V C 2.329 178.313 176.094 -0.183 0.000 1.049 274 V CA 2.520 64.657 62.300 -0.271 0.000 1.024 274 V CB -0.841 30.730 31.823 -0.420 0.000 0.648 274 V HN 0.769 nan 8.190 nan 0.000 0.447 275 D N -0.722 119.590 120.400 -0.147 0.000 2.104 275 D HA -0.223 4.416 4.640 -0.001 0.000 0.194 275 D C 2.214 178.478 176.300 -0.059 0.000 0.994 275 D CA 1.361 55.317 54.000 -0.073 0.000 0.830 275 D CB -0.017 40.768 40.800 -0.024 0.000 0.959 275 D HN 0.341 nan 8.370 nan 0.000 0.452 276 Q N -0.428 119.300 119.800 -0.121 0.000 2.311 276 Q HA 0.068 4.408 4.340 -0.001 0.000 0.203 276 Q C 2.125 178.005 176.000 -0.200 0.000 0.954 276 Q CA 0.880 56.629 55.803 -0.089 0.000 0.885 276 Q CB 0.009 28.714 28.738 -0.055 0.000 0.963 276 Q HN 0.415 nan 8.270 nan 0.000 0.471 277 A N 1.008 123.699 122.820 -0.216 0.000 1.898 277 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 277 A C 2.207 179.693 177.584 -0.164 0.000 1.181 277 A CA 0.898 52.831 52.037 -0.174 0.000 0.620 277 A CB -0.637 18.399 19.000 0.060 0.000 0.819 277 A HN 0.281 nan 8.150 nan 0.000 0.442 278 L N -0.094 121.092 121.223 -0.062 0.000 2.012 278 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 278 L C 2.368 179.252 176.870 0.023 0.000 1.073 278 L CA 1.439 56.322 54.840 0.070 0.000 0.748 278 L CB -0.727 41.357 42.059 0.042 0.000 0.891 278 L HN 0.367 nan 8.230 nan 0.000 0.431 279 N N 0.385 119.098 118.700 0.022 0.000 2.120 279 N HA -0.137 4.602 4.740 -0.001 0.000 0.188 279 N C 1.852 177.546 175.510 0.308 0.000 1.024 279 N CA 1.609 54.801 53.050 0.237 0.000 0.852 279 N CB -0.775 37.987 38.487 0.457 0.000 1.003 279 N HN 0.374 nan 8.380 nan 0.000 0.424 280 G N -0.052 108.623 108.800 -0.209 0.000 2.408 280 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.217 280 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.217 280 G C 1.547 176.230 174.900 -0.363 0.000 1.150 280 G CA 1.034 45.700 45.100 -0.723 0.000 0.776 280 G HN 0.450 nan 8.290 nan 0.000 0.542 281 G N -0.724 107.803 108.800 -0.456 0.000 2.453 281 G HA2 0.080 4.039 3.960 -0.001 0.000 0.215 281 G HA3 0.080 4.039 3.960 -0.001 0.000 0.215 281 G C 1.250 175.736 174.900 -0.690 0.000 1.147 281 G CA 0.582 45.235 45.100 -0.745 0.000 0.802 281 G HN 0.457 nan 8.290 nan 0.000 0.535 282 Y N -1.459 118.856 120.300 0.024 0.000 2.527 282 Y HA 0.462 5.012 4.550 -0.000 0.000 0.247 282 Y C 0.247 176.153 175.900 0.009 0.000 1.138 282 Y CA -1.999 56.099 58.100 -0.002 0.000 1.228 282 Y CB 0.033 38.451 38.460 -0.070 0.000 1.252 282 Y HN -0.070 nan 8.280 nan 0.000 0.531 283 F N 1.582 121.637 119.950 0.175 0.000 2.572 283 F HA 0.108 4.634 4.527 -0.001 0.000 0.370 283 F C 1.362 177.270 175.800 0.180 0.000 1.103 283 F CA 0.464 58.539 58.000 0.126 0.000 1.286 283 F CB 0.163 39.164 39.000 0.002 0.000 1.105 283 F HN 0.235 nan 8.300 nan 0.000 0.583 284 H N 3.411 122.629 119.070 0.246 0.000 2.741 284 H HA -0.247 4.309 4.556 -0.001 0.000 0.305 284 H C 0.903 176.290 175.328 0.099 0.000 1.169 284 H CA 0.086 56.200 56.048 0.109 0.000 1.144 284 H CB -1.240 28.547 29.762 0.043 0.000 1.397 284 H HN 0.993 nan 8.280 nan 0.000 0.409 285 A N -1.426 121.535 122.820 0.235 0.000 2.799 285 A HA -0.016 4.304 4.320 -0.001 0.000 0.287 285 A C 2.636 180.292 177.584 0.120 0.000 1.484 285 A CA 1.891 54.040 52.037 0.188 0.000 0.813 285 A CB -1.933 17.164 19.000 0.160 0.000 1.009 285 A HN 2.369 nan 8.150 nan 0.000 0.545 286 G N -2.381 106.469 108.800 0.084 0.000 2.148 286 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.254 286 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.254 286 G C 0.113 174.829 174.900 -0.305 0.000 0.981 286 G CA 0.846 45.917 45.100 -0.047 0.000 0.670 286 G HN 1.374 nan 8.290 nan 0.000 0.528 287 Q N 0.148 119.730 119.800 -0.363 0.000 3.122 287 Q HA 0.477 4.817 4.340 -0.001 0.000 0.360 287 Q C -0.247 175.296 176.000 -0.762 0.000 1.300 287 Q CA -0.110 55.195 55.803 -0.831 0.000 0.982 287 Q CB 0.994 29.500 28.738 -0.386 0.000 1.534 287 Q HN 0.341 nan 8.270 nan 0.000 0.474 288 V N -0.212 119.273 119.914 -0.715 0.000 2.638 288 V HA 0.051 4.171 4.120 -0.001 0.000 0.306 288 V C 1.208 177.348 176.094 0.076 0.000 1.052 288 V CA -0.977 61.305 62.300 -0.030 0.000 0.885 288 V CB 1.297 33.255 31.823 0.225 0.000 0.999 288 V HN 0.731 nan 8.190 nan 0.000 0.424 289 C N 1.223 120.705 119.300 0.303 0.000 2.403 289 C HA -0.090 4.370 4.460 -0.001 0.000 0.279 289 C C 2.172 177.390 174.990 0.381 0.000 1.269 289 C CA 1.098 60.352 59.018 0.394 0.000 1.774 289 C CB -1.297 26.632 27.740 0.316 0.000 1.993 289 C HN 0.996 nan 8.230 nan 0.000 0.496 290 S N 0.922 116.904 115.700 0.471 0.000 2.597 290 S HA 0.575 5.044 4.470 -0.001 0.000 0.224 290 S C 0.730 175.677 174.600 0.579 0.000 0.955 290 S CA 0.307 58.862 58.200 0.592 0.000 0.933 290 S CB -0.585 63.166 63.200 0.918 0.000 0.788 290 S HN 1.053 nan 8.310 nan 0.000 0.488 291 A N 1.237 124.296 122.820 0.398 0.000 2.561 291 A HA 0.494 4.814 4.320 -0.001 0.000 0.234 291 A C 0.963 178.707 177.584 0.267 0.000 1.055 291 A CA 0.222 52.441 52.037 0.304 0.000 0.756 291 A CB -0.310 18.729 19.000 0.065 0.000 0.986 291 A HN 0.678 nan 8.150 nan 0.000 0.505 292 G N 1.337 110.164 108.800 0.044 0.000 3.209 292 G HA2 0.350 4.310 3.960 -0.001 0.000 0.274 292 G HA3 0.350 4.310 3.960 -0.001 0.000 0.274 292 G C 0.967 175.789 174.900 -0.131 0.000 0.850 292 G CA 0.430 45.482 45.100 -0.079 0.000 1.907 292 G HN 1.175 nan 8.290 nan 0.000 0.591 293 S N 0.757 116.439 115.700 -0.030 0.000 2.489 293 S HA 0.061 4.530 4.470 -0.001 0.000 0.228 293 S C 1.211 175.798 174.600 -0.022 0.000 0.995 293 S CA -0.062 58.104 58.200 -0.056 0.000 0.934 293 S CB 0.258 63.442 63.200 -0.026 0.000 0.771 293 S HN 0.408 nan 8.310 nan 0.000 0.522 294 R N 0.987 121.495 120.500 0.013 0.000 2.312 294 R HA 0.514 4.854 4.340 -0.001 0.000 0.310 294 R C -1.394 174.926 176.300 0.033 0.000 1.064 294 R CA -0.569 55.550 56.100 0.030 0.000 0.983 294 R CB 0.287 30.614 30.300 0.046 0.000 1.139 294 R HN 0.329 nan 8.270 nan 0.000 0.536 295 I N 5.683 126.266 120.570 0.022 0.000 2.371 295 I HA 0.197 4.366 4.170 -0.001 0.000 0.290 295 I C -0.219 175.906 176.117 0.014 0.000 1.028 295 I CA -0.435 60.871 61.300 0.009 0.000 1.345 295 I CB 1.216 39.232 38.000 0.027 0.000 1.407 295 I HN 0.407 nan 8.210 nan 0.000 0.501 296 L N 7.646 128.878 121.223 0.015 0.000 2.316 296 L HA 0.562 4.901 4.340 -0.001 0.000 0.280 296 L C -0.599 176.338 176.870 0.111 0.000 1.006 296 L CA -0.595 54.306 54.840 0.103 0.000 0.836 296 L CB 1.771 43.887 42.059 0.094 0.000 1.221 296 L HN 0.345 nan 8.230 nan 0.000 0.418 297 V N 3.840 123.712 119.914 -0.069 0.000 2.604 297 V HA 0.335 4.454 4.120 -0.001 0.000 0.305 297 V C -0.200 175.424 176.094 -0.784 0.000 1.043 297 V CA -0.429 61.650 62.300 -0.370 0.000 0.888 297 V CB 2.273 33.792 31.823 -0.506 0.000 0.995 297 V HN 0.851 nan 8.190 nan 0.000 0.429 298 Q N 3.841 122.992 119.800 -1.080 0.000 2.330 298 Q HA 0.092 4.431 4.340 -0.001 0.000 0.279 298 Q C 1.108 176.779 176.000 -0.548 0.000 1.024 298 Q CA 0.859 55.906 55.803 -1.259 0.000 0.900 298 Q CB 0.525 28.832 28.738 -0.719 0.000 1.221 298 Q HN 0.878 nan 8.270 nan 0.000 0.396 299 N N 0.634 119.075 118.700 -0.430 0.000 2.137 299 N HA -0.248 4.492 4.740 -0.001 0.000 0.190 299 N C 1.513 176.956 175.510 -0.112 0.000 1.017 299 N CA 1.353 54.285 53.050 -0.197 0.000 0.859 299 N CB 0.038 38.452 38.487 -0.123 0.000 1.002 299 N HN 0.656 nan 8.380 nan 0.000 0.428 300 S N 1.075 116.713 115.700 -0.103 0.000 2.419 300 S HA -0.136 4.334 4.470 -0.001 0.000 0.235 300 S C 1.669 176.255 174.600 -0.023 0.000 1.019 300 S CA 1.055 59.228 58.200 -0.044 0.000 0.982 300 S CB -0.619 62.568 63.200 -0.021 0.000 0.789 300 S HN 0.587 nan 8.310 nan 0.000 0.490 301 I N -2.617 117.940 120.570 -0.021 0.000 4.081 301 I HA 0.472 4.642 4.170 -0.001 0.000 0.333 301 I C 1.625 177.815 176.117 0.122 0.000 1.413 301 I CA -0.527 60.807 61.300 0.057 0.000 1.110 301 I CB 0.210 38.291 38.000 0.134 0.000 1.082 301 I HN 0.013 nan 8.210 nan 0.000 0.402 302 K N 1.882 122.307 120.400 0.041 0.000 2.032 302 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 302 K C 1.359 178.050 176.600 0.152 0.000 1.048 302 K CA 2.389 58.726 56.287 0.082 0.000 0.927 302 K CB 0.021 32.518 32.500 -0.004 0.000 0.712 302 K HN 0.349 nan 8.250 nan 0.000 0.441 303 D N 0.540 120.995 120.400 0.092 0.000 2.084 303 D HA -0.180 4.459 4.640 -0.001 0.000 0.194 303 D C 1.779 178.141 176.300 0.103 0.000 0.990 303 D CA 1.105 55.152 54.000 0.079 0.000 0.826 303 D CB -0.143 40.680 40.800 0.038 0.000 0.971 303 D HN 0.276 nan 8.370 nan 0.000 0.453 304 K N -0.120 120.346 120.400 0.109 0.000 2.063 304 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 304 K C 2.209 178.995 176.600 0.309 0.000 1.048 304 K CA 0.915 57.271 56.287 0.115 0.000 0.928 304 K CB -0.317 32.171 32.500 -0.020 0.000 0.713 304 K HN 0.072 nan 8.250 nan 0.000 0.442 305 F N 2.128 122.250 119.950 0.287 0.000 2.102 305 F HA -0.137 4.390 4.527 0.000 0.000 0.298 305 F C 1.915 177.774 175.800 0.098 0.000 1.105 305 F CA 1.695 59.849 58.000 0.256 0.000 1.239 305 F CB -0.096 38.985 39.000 0.135 0.000 0.991 305 F HN 0.131 nan 8.300 nan 0.000 0.474 306 E N -0.342 119.913 120.200 0.092 0.000 2.085 306 E HA -0.327 4.023 4.350 -0.001 0.000 0.194 306 E C 2.106 178.649 176.600 -0.095 0.000 0.994 306 E CA 1.488 57.870 56.400 -0.028 0.000 0.801 306 E CB -0.318 29.430 29.700 0.079 0.000 0.743 306 E HN 0.418 nan 8.360 nan 0.000 0.453 307 Q N 0.847 120.630 119.800 -0.028 0.000 2.050 307 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 307 Q C 1.943 177.905 176.000 -0.063 0.000 0.980 307 Q CA 1.959 57.745 55.803 -0.029 0.000 0.840 307 Q CB -0.353 28.388 28.738 0.005 0.000 0.898 307 Q HN 0.243 nan 8.270 nan 0.000 0.424 308 A N 0.087 122.870 122.820 -0.061 0.000 1.902 308 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 308 A C 2.037 179.491 177.584 -0.215 0.000 1.181 308 A CA 1.539 53.531 52.037 -0.076 0.000 0.623 308 A CB -0.905 18.118 19.000 0.038 0.000 0.818 308 A HN 0.482 nan 8.150 nan 0.000 0.443 309 L N -0.128 120.857 121.223 -0.397 0.000 2.027 309 L HA -0.069 4.271 4.340 -0.001 0.000 0.206 309 L C 2.255 179.007 176.870 -0.197 0.000 1.074 309 L CA 1.730 56.334 54.840 -0.393 0.000 0.745 309 L CB -0.430 41.273 42.059 -0.593 0.000 0.898 309 L HN 0.425 nan 8.230 nan 0.000 0.433 310 I N -0.294 120.183 120.570 -0.155 0.000 2.179 310 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 310 I C 2.177 178.238 176.117 -0.093 0.000 1.088 310 I CA 1.739 62.983 61.300 -0.095 0.000 1.357 310 I CB -0.443 37.519 38.000 -0.063 0.000 1.051 310 I HN 0.352 nan 8.210 nan 0.000 0.409 311 D N 0.536 120.883 120.400 -0.088 0.000 2.144 311 D HA -0.169 4.471 4.640 -0.001 0.000 0.199 311 D C 2.326 178.575 176.300 -0.086 0.000 0.984 311 D CA 1.166 55.121 54.000 -0.074 0.000 0.834 311 D CB 0.121 40.888 40.800 -0.055 0.000 0.955 311 D HN 0.032 nan 8.370 nan 0.000 0.465 312 R N -0.038 120.401 120.500 -0.103 0.000 2.090 312 R HA -0.008 4.331 4.340 -0.001 0.000 0.228 312 R C 2.377 178.597 176.300 -0.133 0.000 1.110 312 R CA 0.399 56.434 56.100 -0.108 0.000 0.973 312 R CB -0.911 29.321 30.300 -0.113 0.000 0.869 312 R HN 0.225 nan 8.270 nan 0.000 0.440 313 V N 1.771 121.594 119.914 -0.151 0.000 2.407 313 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 313 V C 2.145 178.120 176.094 -0.199 0.000 1.055 313 V CA 1.624 63.789 62.300 -0.224 0.000 1.049 313 V CB -0.382 31.311 31.823 -0.217 0.000 0.662 313 V HN 0.319 nan 8.190 nan 0.000 0.455 314 K N -0.017 120.298 120.400 -0.141 0.000 2.281 314 K HA -0.164 4.156 4.320 -0.001 0.000 0.203 314 K C 1.850 178.381 176.600 -0.114 0.000 1.046 314 K CA 1.161 57.377 56.287 -0.119 0.000 0.938 314 K CB -0.134 32.313 32.500 -0.090 0.000 0.737 314 K HN 0.449 nan 8.250 nan 0.000 0.458 315 K N 0.436 120.768 120.400 -0.114 0.000 2.374 315 K HA 0.173 4.492 4.320 -0.001 0.000 0.196 315 K C 0.231 176.765 176.600 -0.110 0.000 1.023 315 K CA -0.123 56.105 56.287 -0.099 0.000 1.103 315 K CB 0.360 32.811 32.500 -0.081 0.000 0.848 315 K HN 0.055 nan 8.250 nan 0.000 0.528 316 I N 2.827 123.310 120.570 -0.145 0.000 2.741 316 I HA -0.113 4.056 4.170 -0.001 0.000 0.288 316 I C 0.119 176.165 176.117 -0.117 0.000 1.192 316 I CA 0.554 61.763 61.300 -0.152 0.000 1.426 316 I CB 0.233 38.097 38.000 -0.226 0.000 1.367 316 I HN -0.051 nan 8.210 nan 0.000 0.563 317 K N 6.736 127.081 120.400 -0.092 0.000 2.267 317 K HA 0.384 4.703 4.320 -0.001 0.000 0.282 317 K C -0.880 175.688 176.600 -0.053 0.000 1.078 317 K CA -0.726 55.518 56.287 -0.073 0.000 0.903 317 K CB 0.884 33.350 32.500 -0.057 0.000 1.111 317 K HN 0.286 nan 8.250 nan 0.000 0.475 318 L N 2.024 123.205 121.223 -0.070 0.000 2.334 318 L HA 0.597 4.936 4.340 -0.001 0.000 0.277 318 L C 0.781 177.596 176.870 -0.093 0.000 1.075 318 L CA 0.476 55.289 54.840 -0.045 0.000 0.804 318 L CB 1.556 43.539 42.059 -0.126 0.000 1.174 318 L HN 0.873 nan 8.230 nan 0.000 0.438 319 G N 1.470 110.309 108.800 0.065 0.000 2.336 319 G HA2 0.036 3.995 3.960 -0.001 0.000 0.286 319 G HA3 0.036 3.995 3.960 -0.001 0.000 0.286 319 G C -1.339 173.772 174.900 0.352 0.000 1.269 319 G CA -0.870 44.298 45.100 0.113 0.000 0.873 319 G HN 0.448 nan 8.290 nan 0.000 0.494 320 N N 0.724 119.474 118.700 0.083 0.000 2.447 320 N HA 0.252 4.991 4.740 -0.001 0.000 0.263 320 N C 1.669 177.079 175.510 -0.168 0.000 1.226 320 N CA 0.860 53.687 53.050 -0.371 0.000 0.906 320 N CB 1.275 39.358 38.487 -0.673 0.000 1.060 320 N HN 0.876 nan 8.380 nan 0.000 0.468 321 G N 2.729 111.405 108.800 -0.206 0.000 2.470 321 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.220 321 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.220 321 G C 0.934 175.599 174.900 -0.391 0.000 1.121 321 G CA 0.403 45.330 45.100 -0.290 0.000 0.766 321 G HN 0.606 nan 8.290 nan 0.000 0.553 322 F N 0.490 120.326 119.950 -0.191 0.000 2.710 322 F HA 0.208 4.735 4.527 -0.000 0.000 0.298 322 F C 1.083 176.769 175.800 -0.191 0.000 1.137 322 F CA -0.443 57.443 58.000 -0.190 0.000 1.444 322 F CB 0.289 39.226 39.000 -0.105 0.000 1.111 322 F HN -0.010 nan 8.300 nan 0.000 0.580 323 D N 0.280 120.672 120.400 -0.013 0.000 2.277 323 D HA 0.246 4.886 4.640 -0.001 0.000 0.249 323 D C 1.223 177.490 176.300 -0.055 0.000 1.134 323 D CA 0.245 54.234 54.000 -0.018 0.000 0.863 323 D CB 1.804 42.597 40.800 -0.012 0.000 1.143 323 D HN 0.135 nan 8.370 nan 0.000 0.458 324 A N 4.197 126.984 122.820 -0.055 0.000 1.978 324 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 324 A C 1.546 179.112 177.584 -0.032 0.000 1.170 324 A CA 1.288 53.291 52.037 -0.056 0.000 0.636 324 A CB -0.067 18.912 19.000 -0.036 0.000 0.810 324 A HN 0.583 nan 8.150 nan 0.000 0.448 325 D N -0.363 120.025 120.400 -0.021 0.000 2.317 325 D HA 0.017 4.657 4.640 -0.001 0.000 0.211 325 D C 0.327 176.612 176.300 -0.025 0.000 0.966 325 D CA 0.580 54.568 54.000 -0.019 0.000 0.876 325 D CB -0.387 40.405 40.800 -0.014 0.000 0.927 325 D HN 0.275 nan 8.370 nan 0.000 0.519 326 T N 0.818 115.356 114.554 -0.026 0.000 2.902 326 T HA 0.043 4.393 4.350 -0.001 0.000 0.301 326 T C 1.261 175.947 174.700 -0.024 0.000 1.012 326 T CA 0.344 62.433 62.100 -0.018 0.000 1.151 326 T CB 1.275 70.138 68.868 -0.009 0.000 0.946 326 T HN 0.096 nan 8.240 nan 0.000 0.542 327 E N 1.802 121.986 120.200 -0.027 0.000 2.372 327 E HA 0.257 4.607 4.350 -0.001 0.000 0.201 327 E C 0.337 176.911 176.600 -0.044 0.000 0.938 327 E CA 0.198 56.565 56.400 -0.055 0.000 0.944 327 E CB 0.607 30.253 29.700 -0.088 0.000 0.937 327 E HN 0.469 nan 8.360 nan 0.000 0.495 328 M N 0.603 120.212 119.600 0.016 0.000 2.271 328 M HA 0.403 4.882 4.480 -0.001 0.000 0.285 328 M C -0.569 175.847 176.300 0.193 0.000 1.059 328 M CA -0.488 54.860 55.300 0.079 0.000 0.940 328 M CB 1.775 34.414 32.600 0.066 0.000 1.636 328 M HN 0.105 nan 8.290 nan 0.000 0.460 329 G N 3.708 112.618 108.800 0.184 0.000 2.510 329 G HA2 0.695 4.655 3.960 -0.001 0.000 0.280 329 G HA3 0.695 4.655 3.960 -0.001 0.000 0.280 329 G C -2.928 172.016 174.900 0.074 0.000 1.386 329 G CA -0.920 44.307 45.100 0.212 0.000 1.047 329 G HN 0.435 nan 8.290 nan 0.000 0.527 330 P HA 0.288 nan 4.420 nan 0.000 0.277 330 P C 0.308 177.494 177.300 -0.189 0.000 1.271 330 P CA -0.303 62.401 63.100 -0.659 0.000 0.795 330 P CB 1.107 32.218 31.700 -0.982 0.000 1.101 331 V N -1.720 118.117 119.914 -0.128 0.000 3.295 331 V HA 0.196 4.315 4.120 -0.001 0.000 0.308 331 V C 1.599 177.632 176.094 -0.102 0.000 1.068 331 V CA -0.234 62.053 62.300 -0.022 0.000 1.062 331 V CB 0.010 31.877 31.823 0.072 0.000 1.162 331 V HN 0.393 nan 8.190 nan 0.000 0.456 332 I N 1.361 121.830 120.570 -0.169 0.000 2.500 332 I HA 0.095 4.265 4.170 -0.001 0.000 0.252 332 I C 1.039 176.971 176.117 -0.307 0.000 1.142 332 I CA 1.726 62.828 61.300 -0.330 0.000 1.451 332 I CB 0.009 37.501 38.000 -0.847 0.000 1.093 332 I HN 1.118 nan 8.210 nan 0.000 0.430 333 S N -3.459 112.087 115.700 -0.257 0.000 2.615 333 S HA 0.287 4.756 4.470 -0.001 0.000 0.269 333 S C 0.630 175.170 174.600 -0.101 0.000 1.161 333 S CA -0.104 57.984 58.200 -0.186 0.000 0.817 333 S CB 0.898 63.944 63.200 -0.256 0.000 1.131 333 S HN 0.012 nan 8.310 nan 0.000 0.467 334 T N 1.173 115.683 114.554 -0.073 0.000 2.684 334 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 334 T C 1.582 176.262 174.700 -0.033 0.000 1.036 334 T CA 2.016 64.091 62.100 -0.042 0.000 1.148 334 T CB -0.639 68.210 68.868 -0.030 0.000 0.863 334 T HN 0.794 nan 8.240 nan 0.000 0.436 335 E N -0.090 120.090 120.200 -0.034 0.000 2.085 335 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 335 E C 2.135 178.752 176.600 0.028 0.000 0.994 335 E CA 1.324 57.721 56.400 -0.006 0.000 0.801 335 E CB -0.113 29.584 29.700 -0.005 0.000 0.743 335 E HN 0.583 nan 8.360 nan 0.000 0.453 336 H N 0.485 119.487 119.070 -0.113 0.000 2.363 336 H HA 0.020 4.575 4.556 -0.001 0.000 0.301 336 H C 2.166 177.455 175.328 -0.066 0.000 1.074 336 H CA 1.964 57.961 56.048 -0.084 0.000 1.354 336 H CB -0.031 29.619 29.762 -0.187 0.000 1.397 336 H HN 0.043 nan 8.280 nan 0.000 0.516 337 R N 0.058 120.477 120.500 -0.135 0.000 2.091 337 R HA -0.144 4.195 4.340 -0.001 0.000 0.238 337 R C 1.764 177.967 176.300 -0.162 0.000 1.136 337 R CA 1.671 57.664 56.100 -0.177 0.000 0.959 337 R CB -0.049 30.222 30.300 -0.049 0.000 0.856 337 R HN 0.320 nan 8.270 nan 0.000 0.437 338 N N 1.040 119.690 118.700 -0.083 0.000 2.104 338 N HA -0.226 4.514 4.740 -0.001 0.000 0.190 338 N C 1.479 176.948 175.510 -0.070 0.000 1.024 338 N CA 1.558 54.575 53.050 -0.054 0.000 0.853 338 N CB -0.280 38.192 38.487 -0.025 0.000 1.008 338 N HN 0.338 nan 8.380 nan 0.000 0.424 339 K N 1.012 121.372 120.400 -0.068 0.000 2.032 339 K HA -0.083 4.236 4.320 -0.001 0.000 0.209 339 K C 2.003 178.603 176.600 0.001 0.000 1.048 339 K CA 1.113 57.394 56.287 -0.010 0.000 0.927 339 K CB -0.215 32.331 32.500 0.076 0.000 0.712 339 K HN 0.096 nan 8.250 nan 0.000 0.441 340 I N 1.284 121.733 120.570 -0.202 0.000 2.163 340 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 340 I C 2.259 178.220 176.117 -0.261 0.000 1.085 340 I CA 1.592 62.708 61.300 -0.307 0.000 1.347 340 I CB -0.343 37.235 38.000 -0.704 0.000 1.044 340 I HN 0.303 nan 8.210 nan 0.000 0.408 341 E N 0.705 120.752 120.200 -0.255 0.000 2.085 341 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 341 E C 2.298 178.899 176.600 0.003 0.000 0.994 341 E CA 1.818 58.189 56.400 -0.048 0.000 0.801 341 E CB -0.155 29.566 29.700 0.035 0.000 0.743 341 E HN 0.572 nan 8.360 nan 0.000 0.453 342 S N 0.012 115.690 115.700 -0.038 0.000 2.402 342 S HA -0.171 4.299 4.470 -0.001 0.000 0.229 342 S C 1.871 176.411 174.600 -0.100 0.000 1.021 342 S CA 0.684 58.837 58.200 -0.079 0.000 0.974 342 S CB -0.460 62.654 63.200 -0.142 0.000 0.800 342 S HN 0.255 nan 8.310 nan 0.000 0.484 343 Y N 1.462 121.745 120.300 -0.028 0.000 2.352 343 Y HA 0.093 4.642 4.550 -0.002 0.000 0.292 343 Y C 2.598 178.512 175.900 0.023 0.000 1.136 343 Y CA 0.963 59.061 58.100 -0.002 0.000 1.227 343 Y CB -0.360 38.093 38.460 -0.011 0.000 0.991 343 Y HN 0.213 nan 8.280 nan 0.000 0.545 344 M N -0.405 119.294 119.600 0.166 0.000 2.117 344 M HA -0.211 4.269 4.480 -0.001 0.000 0.262 344 M C 1.514 177.879 176.300 0.107 0.000 1.065 344 M CA 1.452 56.845 55.300 0.155 0.000 1.114 344 M CB -1.063 31.651 32.600 0.191 0.000 1.361 344 M HN 0.203 nan 8.290 nan 0.000 0.408 345 D N 0.233 120.675 120.400 0.069 0.000 2.144 345 D HA -0.092 4.548 4.640 -0.001 0.000 0.199 345 D C 2.306 178.624 176.300 0.030 0.000 0.984 345 D CA 1.005 55.028 54.000 0.038 0.000 0.834 345 D CB -0.270 40.536 40.800 0.011 0.000 0.955 345 D HN 0.154 nan 8.370 nan 0.000 0.465 346 V N 1.545 121.470 119.914 0.018 0.000 2.295 346 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 346 V C 2.567 178.707 176.094 0.076 0.000 1.049 346 V CA 1.825 64.140 62.300 0.025 0.000 1.024 346 V CB -0.802 31.014 31.823 -0.012 0.000 0.648 346 V HN 0.182 nan 8.190 nan 0.000 0.447 347 A N -0.148 122.741 122.820 0.115 0.000 1.877 347 A HA -0.268 4.052 4.320 -0.001 0.000 0.216 347 A C 2.277 179.908 177.584 0.078 0.000 1.186 347 A CA 2.181 54.283 52.037 0.109 0.000 0.620 347 A CB -0.478 18.596 19.000 0.124 0.000 0.822 347 A HN 0.552 nan 8.150 nan 0.000 0.443 348 K N -0.338 120.104 120.400 0.070 0.000 2.057 348 K HA -0.049 4.271 4.320 -0.001 0.000 0.207 348 K C 2.220 178.846 176.600 0.043 0.000 1.049 348 K CA 1.212 57.532 56.287 0.054 0.000 0.931 348 K CB -0.320 32.211 32.500 0.051 0.000 0.714 348 K HN 0.443 nan 8.250 nan 0.000 0.440 349 A N 1.797 124.641 122.820 0.039 0.000 2.015 349 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 349 A C 1.669 179.273 177.584 0.032 0.000 1.163 349 A CA 1.428 53.483 52.037 0.030 0.000 0.646 349 A CB -0.375 18.637 19.000 0.021 0.000 0.806 349 A HN 0.478 nan 8.150 nan 0.000 0.448 350 E N -1.529 118.696 120.200 0.042 0.000 2.502 350 E HA 0.361 4.710 4.350 -0.001 0.000 0.194 350 E C 0.998 177.623 176.600 0.042 0.000 1.062 350 E CA 0.407 56.833 56.400 0.043 0.000 0.867 350 E CB -0.205 29.528 29.700 0.055 0.000 0.888 350 E HN 0.681 nan 8.360 nan 0.000 0.510 351 G N 0.447 109.272 108.800 0.041 0.000 2.159 351 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.227 351 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.227 351 G C 0.387 175.312 174.900 0.042 0.000 0.986 351 G CA -0.222 44.901 45.100 0.038 0.000 0.651 351 G HN 0.623 nan 8.290 nan 0.000 0.523 352 A N -0.197 122.654 122.820 0.051 0.000 2.313 352 A HA 0.760 5.079 4.320 -0.001 0.000 0.261 352 A C 0.595 178.210 177.584 0.052 0.000 1.090 352 A CA 0.946 53.016 52.037 0.055 0.000 0.807 352 A CB 0.544 19.584 19.000 0.066 0.000 1.055 352 A HN 0.723 nan 8.150 nan 0.000 0.492 353 T N 2.187 116.772 114.554 0.051 0.000 2.794 353 T HA 0.411 4.761 4.350 -0.001 0.000 0.280 353 T C -0.045 174.687 174.700 0.053 0.000 0.987 353 T CA -0.206 61.922 62.100 0.046 0.000 0.993 353 T CB 0.509 69.401 68.868 0.039 0.000 0.939 353 T HN 0.356 nan 8.240 nan 0.000 0.449 354 I N 3.576 124.177 120.570 0.052 0.000 2.329 354 I HA 0.217 4.386 4.170 -0.001 0.000 0.295 354 I C 1.331 177.470 176.117 0.037 0.000 1.109 354 I CA -0.374 60.959 61.300 0.056 0.000 1.297 354 I CB -0.135 37.900 38.000 0.058 0.000 1.433 354 I HN 0.794 nan 8.210 nan 0.000 0.509 355 A N 5.873 128.715 122.820 0.038 0.000 2.021 355 A HA 0.207 4.527 4.320 -0.001 0.000 0.216 355 A C 0.876 178.463 177.584 0.005 0.000 1.163 355 A CA 0.584 52.634 52.037 0.022 0.000 0.676 355 A CB 0.469 19.484 19.000 0.026 0.000 0.818 355 A HN 0.499 nan 8.150 nan 0.000 0.453 356 V N -2.810 117.107 119.914 0.006 0.000 3.098 356 V HA 0.562 4.681 4.120 -0.001 0.000 0.294 356 V C 0.304 176.384 176.094 -0.024 0.000 1.351 356 V CA 0.422 62.708 62.300 -0.022 0.000 0.999 356 V CB 1.293 33.091 31.823 -0.041 0.000 1.104 356 V HN 1.943 nan 8.190 nan 0.000 0.438 357 G N 3.967 112.728 108.800 -0.064 0.000 2.509 357 G HA2 0.332 4.292 3.960 -0.001 0.000 0.259 357 G HA3 0.332 4.292 3.960 -0.001 0.000 0.259 357 G C 1.375 176.214 174.900 -0.103 0.000 1.169 357 G CA 0.835 45.871 45.100 -0.107 0.000 0.953 357 G HN 2.751 nan 8.290 nan 0.000 0.563 358 G N -0.854 107.884 108.800 -0.104 0.000 2.160 358 G HA2 0.187 4.146 3.960 -0.001 0.000 0.244 358 G HA3 0.187 4.146 3.960 -0.001 0.000 0.244 358 G C 0.137 174.979 174.900 -0.096 0.000 1.022 358 G CA 2.013 47.135 45.100 0.038 0.000 0.741 358 G HN 2.155 nan 8.290 nan 0.000 0.508 359 K N -1.613 118.434 120.400 -0.589 0.000 2.579 359 K HA 0.644 4.963 4.320 -0.001 0.000 0.284 359 K C -0.222 175.939 176.600 -0.733 0.000 0.990 359 K CA -1.367 54.656 56.287 -0.440 0.000 0.880 359 K CB 1.225 33.616 32.500 -0.182 0.000 1.488 359 K HN 0.146 nan 8.250 nan 0.000 0.425 360 R N 1.078 121.402 120.500 -0.293 0.000 2.594 360 R HA 0.239 4.579 4.340 -0.001 0.000 0.272 360 R C -2.115 174.107 176.300 -0.131 0.000 1.074 360 R CA -1.510 54.509 56.100 -0.135 0.000 1.105 360 R CB 0.069 30.396 30.300 0.044 0.000 1.008 360 R HN 0.463 nan 8.270 nan 0.000 0.472 361 P HA 0.028 nan 4.420 nan 0.000 0.274 361 P C -0.576 176.677 177.300 -0.079 0.000 1.231 361 P CA -0.194 62.841 63.100 -0.108 0.000 0.790 361 P CB 0.847 32.469 31.700 -0.131 0.000 0.951 362 D N 0.050 120.400 120.400 -0.083 0.000 2.367 362 D HA 0.027 4.666 4.640 -0.001 0.000 0.207 362 D C 0.937 177.196 176.300 -0.069 0.000 1.034 362 D CA 0.163 54.126 54.000 -0.063 0.000 0.861 362 D CB 0.344 41.112 40.800 -0.054 0.000 0.943 362 D HN 0.343 nan 8.370 nan 0.000 0.515 363 R N 1.679 122.123 120.500 -0.094 0.000 2.583 363 R HA -0.082 4.258 4.340 -0.001 0.000 0.274 363 R C 0.741 176.990 176.300 -0.085 0.000 0.998 363 R CA 0.097 56.141 56.100 -0.093 0.000 1.081 363 R CB 0.603 30.831 30.300 -0.119 0.000 0.940 363 R HN -0.099 nan 8.270 nan 0.000 0.413 364 D N 2.331 122.696 120.400 -0.059 0.000 2.149 364 D HA -0.235 4.405 4.640 -0.001 0.000 0.194 364 D C 1.141 177.412 176.300 -0.048 0.000 1.001 364 D CA 1.990 55.963 54.000 -0.044 0.000 0.849 364 D CB -0.103 40.680 40.800 -0.027 0.000 0.939 364 D HN 0.716 nan 8.370 nan 0.000 0.449 365 D N 0.130 120.499 120.400 -0.052 0.000 2.347 365 D HA -0.103 4.536 4.640 -0.001 0.000 0.215 365 D C 1.801 178.039 176.300 -0.104 0.000 0.976 365 D CA 0.263 54.245 54.000 -0.030 0.000 0.884 365 D CB -0.173 40.639 40.800 0.019 0.000 0.915 365 D HN 0.292 nan 8.370 nan 0.000 0.526 366 L N -0.283 120.828 121.223 -0.187 0.000 2.640 366 L HA 0.185 4.525 4.340 -0.001 0.000 0.230 366 L C 2.455 179.285 176.870 -0.066 0.000 1.123 366 L CA -0.181 54.474 54.840 -0.310 0.000 0.900 366 L CB 0.068 41.806 42.059 -0.535 0.000 1.146 366 L HN -0.132 nan 8.230 nan 0.000 0.484 367 K N 0.527 120.893 120.400 -0.057 0.000 2.155 367 K HA -0.126 4.193 4.320 -0.001 0.000 0.203 367 K C 1.170 177.768 176.600 -0.004 0.000 1.052 367 K CA 1.072 57.350 56.287 -0.015 0.000 0.948 367 K CB 0.277 32.763 32.500 -0.025 0.000 0.728 367 K HN 0.183 nan 8.250 nan 0.000 0.448 368 D N 0.195 120.570 120.400 -0.042 0.000 2.277 368 D HA -0.017 4.622 4.640 -0.001 0.000 0.208 368 D C 0.821 177.084 176.300 -0.062 0.000 0.962 368 D CA 0.620 54.585 54.000 -0.058 0.000 0.865 368 D CB 0.052 40.793 40.800 -0.098 0.000 0.939 368 D HN 0.293 nan 8.370 nan 0.000 0.510 369 G N -0.395 108.388 108.800 -0.028 0.000 2.511 369 G HA2 0.460 4.420 3.960 -0.001 0.000 0.316 369 G HA3 0.460 4.420 3.960 -0.001 0.000 0.316 369 G C -0.081 174.822 174.900 0.006 0.000 1.210 369 G CA -0.643 44.433 45.100 -0.041 0.000 0.969 369 G HN 0.101 nan 8.290 nan 0.000 0.492 370 L N 0.884 121.999 121.223 -0.180 0.000 2.934 370 L HA 0.287 4.627 4.340 -0.001 0.000 0.233 370 L C -0.530 176.247 176.870 -0.155 0.000 1.358 370 L CA -0.305 54.460 54.840 -0.124 0.000 1.233 370 L CB -0.815 41.162 42.059 -0.136 0.000 1.594 370 L HN 0.177 nan 8.230 nan 0.000 0.439 371 F N 0.064 120.046 119.950 0.054 0.000 2.371 371 F HA 0.397 4.923 4.527 -0.001 0.000 0.329 371 F C 0.021 175.915 175.800 0.157 0.000 1.107 371 F CA -0.154 57.897 58.000 0.086 0.000 1.137 371 F CB 1.051 40.072 39.000 0.035 0.000 1.214 371 F HN -0.078 nan 8.300 nan 0.000 0.536 372 F N 1.511 121.578 119.950 0.195 0.000 2.574 372 F HA 0.320 4.847 4.527 -0.001 0.000 0.313 372 F C -0.465 175.397 175.800 0.103 0.000 1.130 372 F CA -0.839 57.227 58.000 0.110 0.000 0.936 372 F CB 1.240 40.277 39.000 0.062 0.000 1.219 372 F HN 0.470 nan 8.300 nan 0.000 0.445 373 E N 6.289 126.237 120.200 -0.420 0.000 2.392 373 E HA 0.162 4.512 4.350 -0.001 0.000 0.264 373 E C -2.321 174.227 176.600 -0.086 0.000 1.024 373 E CA -1.606 54.651 56.400 -0.238 0.000 0.903 373 E CB 0.251 29.757 29.700 -0.323 0.000 0.963 373 E HN 0.215 nan 8.360 nan 0.000 0.432 374 P HA -0.011 nan 4.420 nan 0.000 0.267 374 P C -0.867 176.382 177.300 -0.085 0.000 1.205 374 P CA 0.224 63.215 63.100 -0.181 0.000 0.765 374 P CB 0.615 31.908 31.700 -0.679 0.000 0.828 375 T N 2.293 116.939 114.554 0.154 0.000 2.861 375 T HA 0.444 4.794 4.350 -0.001 0.000 0.287 375 T C -0.458 174.378 174.700 0.228 0.000 1.003 375 T CA -0.463 61.741 62.100 0.173 0.000 0.977 375 T CB 1.287 70.313 68.868 0.264 0.000 0.996 375 T HN 0.016 nan 8.240 nan 0.000 0.448 376 V N 4.013 124.012 119.914 0.141 0.000 2.487 376 V HA 0.541 4.661 4.120 -0.001 0.000 0.298 376 V C -0.465 175.688 176.094 0.098 0.000 1.028 376 V CA -0.805 61.572 62.300 0.129 0.000 0.860 376 V CB 1.608 33.484 31.823 0.089 0.000 0.991 376 V HN 0.790 nan 8.190 nan 0.000 0.427 377 I N 4.797 125.425 120.570 0.096 0.000 2.362 377 I HA 0.524 4.694 4.170 -0.001 0.000 0.289 377 I C 0.475 176.638 176.117 0.075 0.000 0.994 377 I CA -0.134 61.216 61.300 0.084 0.000 1.158 377 I CB 2.095 40.149 38.000 0.089 0.000 1.315 377 I HN 0.782 nan 8.210 nan 0.000 0.451 378 T N 1.201 115.794 114.554 0.066 0.000 2.905 378 T HA 0.415 4.764 4.350 -0.001 0.000 0.283 378 T C 0.263 174.996 174.700 0.055 0.000 1.031 378 T CA -0.752 61.385 62.100 0.062 0.000 1.002 378 T CB 1.321 70.223 68.868 0.056 0.000 1.200 378 T HN 0.556 nan 8.240 nan 0.000 0.560 379 N N -0.099 118.631 118.700 0.050 0.000 2.727 379 N HA -0.139 4.600 4.740 -0.001 0.000 0.251 379 N C 0.039 175.577 175.510 0.047 0.000 1.040 379 N CA 0.889 53.965 53.050 0.044 0.000 0.712 379 N CB -2.317 36.193 38.487 0.039 0.000 0.912 379 N HN 1.043 nan 8.380 nan 0.000 0.545 380 C N -1.955 117.376 119.300 0.050 0.000 2.973 380 C HA 0.926 5.386 4.460 -0.001 0.000 0.329 380 C C 0.158 175.177 174.990 0.050 0.000 1.327 380 C CA -0.923 58.127 59.018 0.052 0.000 1.632 380 C CB 1.685 29.461 27.740 0.059 0.000 2.098 380 C HN 0.574 nan 8.230 nan 0.000 0.469 381 D N -2.244 118.186 120.400 0.050 0.000 2.596 381 D HA 0.357 4.996 4.640 -0.001 0.000 0.262 381 D C 0.391 176.721 176.300 0.049 0.000 1.210 381 D CA -0.252 53.776 54.000 0.047 0.000 0.873 381 D CB 1.234 42.059 40.800 0.042 0.000 1.408 381 D HN 0.511 nan 8.370 nan 0.000 0.441 382 T N -1.060 113.522 114.554 0.045 0.000 2.977 382 T HA -0.134 4.215 4.350 -0.001 0.000 0.271 382 T C 1.650 176.377 174.700 0.045 0.000 1.105 382 T CA 1.947 64.074 62.100 0.045 0.000 1.116 382 T CB -0.641 68.249 68.868 0.037 0.000 0.878 382 T HN 0.472 nan 8.240 nan 0.000 0.509 383 S N -0.115 115.610 115.700 0.043 0.000 2.489 383 S HA 0.191 4.661 4.470 -0.001 0.000 0.228 383 S C 0.829 175.459 174.600 0.050 0.000 0.995 383 S CA -0.034 58.191 58.200 0.042 0.000 0.934 383 S CB -0.464 62.758 63.200 0.036 0.000 0.771 383 S HN 0.488 nan 8.310 nan 0.000 0.522 384 M N 1.487 121.122 119.600 0.058 0.000 2.242 384 M HA 0.327 4.807 4.480 -0.001 0.000 0.344 384 M C 1.514 177.867 176.300 0.089 0.000 1.140 384 M CA -0.367 54.975 55.300 0.070 0.000 1.160 384 M CB 0.802 33.445 32.600 0.072 0.000 1.491 384 M HN 0.088 nan 8.290 nan 0.000 0.459 385 R N 0.888 121.453 120.500 0.108 0.000 2.120 385 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 385 R C 1.791 178.202 176.300 0.185 0.000 1.123 385 R CA 1.140 57.332 56.100 0.154 0.000 0.975 385 R CB -0.443 29.964 30.300 0.178 0.000 0.866 385 R HN 0.594 nan 8.270 nan 0.000 0.446 386 I N 0.439 121.111 120.570 0.169 0.000 2.493 386 I HA -0.181 3.989 4.170 -0.001 0.000 0.254 386 I C 1.713 177.871 176.117 0.068 0.000 1.160 386 I CA 1.238 62.620 61.300 0.137 0.000 1.445 386 I CB 0.227 38.310 38.000 0.139 0.000 1.086 386 I HN -0.123 nan 8.210 nan 0.000 0.433 387 V N -0.141 119.819 119.914 0.077 0.000 2.599 387 V HA -0.093 4.026 4.120 -0.001 0.000 0.245 387 V C 2.301 178.440 176.094 0.075 0.000 1.046 387 V CA 1.101 63.440 62.300 0.065 0.000 1.065 387 V CB -0.474 31.387 31.823 0.064 0.000 0.703 387 V HN 0.380 nan 8.190 nan 0.000 0.464 388 Q N 0.284 120.140 119.800 0.093 0.000 2.212 388 Q HA 0.076 4.415 4.340 -0.001 0.000 0.199 388 Q C 0.656 176.753 176.000 0.160 0.000 0.950 388 Q CA 0.625 56.497 55.803 0.115 0.000 0.863 388 Q CB 0.220 29.017 28.738 0.097 0.000 0.944 388 Q HN 0.683 nan 8.270 nan 0.000 0.465 389 E N 1.046 121.326 120.200 0.133 0.000 2.214 389 E HA 0.195 4.545 4.350 -0.001 0.000 0.274 389 E C -0.716 175.898 176.600 0.023 0.000 0.977 389 E CA -0.331 56.159 56.400 0.150 0.000 0.827 389 E CB 1.271 31.094 29.700 0.204 0.000 1.130 389 E HN 0.022 nan 8.360 nan 0.000 0.394 390 E N 2.342 122.595 120.200 0.088 0.000 2.104 390 E HA 0.038 4.387 4.350 -0.001 0.000 0.278 390 E C 0.204 176.770 176.600 -0.058 0.000 1.127 390 E CA -0.218 56.187 56.400 0.009 0.000 0.897 390 E CB 0.647 30.345 29.700 -0.004 0.000 1.043 390 E HN 0.324 nan 8.360 nan 0.000 0.410 391 V N 5.285 125.108 119.914 -0.152 0.000 2.535 391 V HA -0.087 4.033 4.120 -0.001 0.000 0.246 391 V C 0.880 177.082 176.094 0.180 0.000 1.045 391 V CA 0.563 62.724 62.300 -0.231 0.000 1.058 391 V CB -0.721 30.893 31.823 -0.348 0.000 0.689 391 V HN 0.954 nan 8.190 nan 0.000 0.461 392 F N 0.677 120.641 119.950 0.023 0.000 3.080 392 F HA -0.128 4.398 4.527 -0.001 0.000 0.292 392 F C 0.635 176.596 175.800 0.267 0.000 0.891 392 F CA 0.657 58.754 58.000 0.162 0.000 1.086 392 F CB -1.089 38.063 39.000 0.253 0.000 1.095 392 F HN 0.259 nan 8.300 nan 0.000 0.633 393 G N -0.360 108.508 108.800 0.114 0.000 3.022 393 G HA2 0.681 4.641 3.960 -0.001 0.000 0.284 393 G HA3 0.681 4.641 3.960 -0.001 0.000 0.284 393 G C -2.974 171.975 174.900 0.081 0.000 1.375 393 G CA -0.761 44.380 45.100 0.069 0.000 0.902 393 G HN -0.110 nan 8.290 nan 0.000 0.538 394 P HA 0.343 nan 4.420 nan 0.000 0.225 394 P C -0.835 176.719 177.300 0.423 0.000 1.813 394 P CA -0.090 63.224 63.100 0.357 0.000 1.013 394 P CB 0.342 32.282 31.700 0.400 0.000 1.961 395 V N 2.270 122.307 119.914 0.205 0.000 2.733 395 V HA 0.397 4.517 4.120 -0.001 0.000 0.306 395 V C 0.199 176.309 176.094 0.026 0.000 1.084 395 V CA -0.950 61.453 62.300 0.172 0.000 0.905 395 V CB 2.619 34.507 31.823 0.108 0.000 1.010 395 V HN 0.223 nan 8.190 nan 0.000 0.424 396 V N 1.308 121.248 119.914 0.044 0.000 2.914 396 V HA 0.984 5.103 4.120 -0.001 0.000 0.314 396 V C -0.078 176.044 176.094 0.047 0.000 1.084 396 V CA -0.443 61.847 62.300 -0.015 0.000 0.963 396 V CB 2.106 33.878 31.823 -0.084 0.000 1.025 396 V HN 0.964 nan 8.190 nan 0.000 0.432 397 T N 0.420 114.997 114.554 0.038 0.000 2.925 397 T HA 0.824 5.173 4.350 -0.001 0.000 0.285 397 T C -0.571 174.169 174.700 0.067 0.000 1.021 397 T CA -0.746 61.388 62.100 0.058 0.000 1.042 397 T CB 1.651 70.550 68.868 0.052 0.000 1.037 397 T HN 0.997 nan 8.240 nan 0.000 0.481 398 V N 1.991 121.954 119.914 0.080 0.000 2.483 398 V HA 0.524 4.644 4.120 -0.001 0.000 0.297 398 V C -0.355 175.781 176.094 0.069 0.000 1.027 398 V CA -0.751 61.603 62.300 0.091 0.000 0.855 398 V CB 1.404 33.313 31.823 0.144 0.000 0.995 398 V HN 0.997 nan 8.190 nan 0.000 0.424 399 E N 2.104 122.338 120.200 0.057 0.000 2.256 399 E HA 0.682 5.032 4.350 -0.001 0.000 0.267 399 E C 0.002 176.626 176.600 0.040 0.000 0.892 399 E CA -0.630 55.802 56.400 0.054 0.000 0.775 399 E CB 2.502 32.241 29.700 0.065 0.000 1.207 399 E HN 0.826 nan 8.360 nan 0.000 0.420 400 G N 1.353 110.166 108.800 0.021 0.000 2.412 400 G HA2 0.571 4.530 3.960 -0.001 0.000 0.318 400 G HA3 0.571 4.530 3.960 -0.001 0.000 0.318 400 G C -0.991 173.929 174.900 0.033 0.000 1.146 400 G CA -0.406 44.664 45.100 -0.050 0.000 0.882 400 G HN 0.378 nan 8.290 nan 0.000 0.501 401 F N -0.504 119.408 119.950 -0.064 0.000 2.599 401 F HA 0.718 5.245 4.527 -0.000 0.000 0.311 401 F C 0.553 176.332 175.800 -0.034 0.000 1.076 401 F CA -1.468 56.498 58.000 -0.056 0.000 0.937 401 F CB 2.272 41.216 39.000 -0.095 0.000 1.282 401 F HN 0.479 nan 8.300 nan 0.000 0.460 402 E N 0.896 121.213 120.200 0.195 0.000 2.102 402 E HA 0.135 4.485 4.350 -0.001 0.000 0.190 402 E C 0.386 177.128 176.600 0.236 0.000 0.971 402 E CA 1.525 57.995 56.400 0.117 0.000 0.821 402 E CB 0.207 29.963 29.700 0.094 0.000 0.777 402 E HN 0.858 nan 8.360 nan 0.000 0.460 403 T N -3.022 111.745 114.554 0.354 0.000 2.887 403 T HA 0.303 4.652 4.350 -0.001 0.000 0.292 403 T C 0.861 175.771 174.700 0.350 0.000 1.087 403 T CA -0.345 61.952 62.100 0.328 0.000 1.009 403 T CB 1.267 70.243 68.868 0.180 0.000 1.203 403 T HN 0.079 nan 8.240 nan 0.000 0.518 404 E N 0.144 120.547 120.200 0.338 0.000 2.085 404 E HA -0.284 4.066 4.350 -0.001 0.000 0.194 404 E C 1.739 178.382 176.600 0.073 0.000 0.994 404 E CA 1.645 58.218 56.400 0.288 0.000 0.801 404 E CB -0.117 29.713 29.700 0.218 0.000 0.743 404 E HN 0.645 nan 8.360 nan 0.000 0.453 405 Q N 0.599 120.439 119.800 0.066 0.000 2.084 405 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 405 Q C 1.925 177.919 176.000 -0.011 0.000 0.978 405 Q CA 1.792 57.607 55.803 0.021 0.000 0.844 405 Q CB -0.177 28.580 28.738 0.032 0.000 0.898 405 Q HN 0.407 nan 8.270 nan 0.000 0.426 406 E N -0.175 120.033 120.200 0.014 0.000 2.106 406 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 406 E C 1.795 178.325 176.600 -0.117 0.000 0.984 406 E CA 0.856 57.259 56.400 0.006 0.000 0.806 406 E CB -0.092 29.669 29.700 0.103 0.000 0.750 406 E HN 0.359 nan 8.360 nan 0.000 0.458 407 A N 1.113 123.711 122.820 -0.370 0.000 1.883 407 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 407 A C 2.151 179.520 177.584 -0.358 0.000 1.186 407 A CA 1.471 53.053 52.037 -0.758 0.000 0.624 407 A CB -0.677 17.346 19.000 -1.629 0.000 0.822 407 A HN 0.333 nan 8.150 nan 0.000 0.444 408 I N -0.584 119.853 120.570 -0.221 0.000 2.179 408 I HA -0.322 3.848 4.170 -0.001 0.000 0.242 408 I C 2.843 178.903 176.117 -0.095 0.000 1.088 408 I CA 1.883 63.107 61.300 -0.127 0.000 1.357 408 I CB -0.386 37.569 38.000 -0.075 0.000 1.051 408 I HN 0.562 nan 8.210 nan 0.000 0.409 409 Q N 1.277 121.032 119.800 -0.074 0.000 2.050 409 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 409 Q C 2.385 178.361 176.000 -0.040 0.000 0.980 409 Q CA 1.730 57.507 55.803 -0.043 0.000 0.840 409 Q CB -0.074 28.650 28.738 -0.022 0.000 0.898 409 Q HN 0.513 nan 8.270 nan 0.000 0.424 410 L N 0.204 121.397 121.223 -0.049 0.000 2.056 410 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 410 L C 2.629 179.479 176.870 -0.034 0.000 1.078 410 L CA 0.973 55.796 54.840 -0.028 0.000 0.749 410 L CB -0.575 41.476 42.059 -0.013 0.000 0.901 410 L HN 0.299 nan 8.230 nan 0.000 0.433 411 A N 0.157 122.935 122.820 -0.070 0.000 1.933 411 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 411 A C 1.885 179.440 177.584 -0.048 0.000 1.175 411 A CA 1.967 53.967 52.037 -0.061 0.000 0.628 411 A CB -0.736 18.206 19.000 -0.095 0.000 0.814 411 A HN 0.543 nan 8.150 nan 0.000 0.444 412 N N -0.545 118.122 118.700 -0.055 0.000 2.461 412 N HA -0.023 4.716 4.740 -0.001 0.000 0.188 412 N C -0.159 175.339 175.510 -0.020 0.000 1.134 412 N CA 0.249 53.270 53.050 -0.048 0.000 0.878 412 N CB 0.123 38.577 38.487 -0.056 0.000 0.972 412 N HN 0.302 nan 8.380 nan 0.000 0.456 413 D N 1.206 121.601 120.400 -0.009 0.000 2.713 413 D HA 0.083 4.723 4.640 -0.001 0.000 0.229 413 D C -0.719 175.594 176.300 0.022 0.000 1.136 413 D CA -0.182 53.821 54.000 0.005 0.000 1.010 413 D CB -0.255 40.549 40.800 0.007 0.000 1.084 413 D HN 0.132 nan 8.370 nan 0.000 0.495 414 S N 0.746 116.461 115.700 0.025 0.000 2.615 414 S HA 0.269 4.739 4.470 -0.001 0.000 0.269 414 S C 0.989 175.591 174.600 0.003 0.000 1.161 414 S CA -0.882 57.347 58.200 0.049 0.000 0.817 414 S CB 0.397 63.671 63.200 0.124 0.000 1.131 414 S HN 0.181 nan 8.310 nan 0.000 0.467 415 I N -1.125 119.402 120.570 -0.071 0.000 3.111 415 I HA 0.290 4.459 4.170 -0.001 0.000 0.272 415 I C -0.131 175.851 176.117 -0.226 0.000 1.268 415 I CA 0.145 61.325 61.300 -0.199 0.000 1.467 415 I CB -0.339 37.456 38.000 -0.341 0.000 1.087 415 I HN 0.491 nan 8.210 nan 0.000 0.467 416 Y N 1.689 121.995 120.300 0.010 0.000 2.418 416 Y HA 0.671 5.221 4.550 0.001 0.000 0.327 416 Y C 1.145 177.031 175.900 -0.023 0.000 1.309 416 Y CA -0.520 57.583 58.100 0.005 0.000 1.423 416 Y CB 1.226 39.694 38.460 0.014 0.000 1.423 416 Y HN -0.037 nan 8.280 nan 0.000 0.532 417 G N 0.189 109.083 108.800 0.157 0.000 5.312 417 G HA2 0.165 4.125 3.960 -0.001 0.000 0.204 417 G HA3 0.165 4.125 3.960 -0.001 0.000 0.204 417 G C -0.293 174.546 174.900 -0.101 0.000 1.097 417 G CA -0.212 44.879 45.100 -0.015 0.000 0.621 417 G HN 0.508 nan 8.290 nan 0.000 0.290 418 L N 0.533 121.680 121.223 -0.126 0.000 2.116 418 L HA 0.861 5.200 4.340 -0.001 0.000 0.200 418 L C 1.029 177.601 176.870 -0.496 0.000 1.084 418 L CA 1.942 56.614 54.840 -0.280 0.000 0.766 418 L CB 0.104 42.053 42.059 -0.183 0.000 0.930 418 L HN 0.511 nan 8.230 nan 0.000 0.453 419 A N -2.297 120.285 122.820 -0.397 0.000 2.609 419 A HA 0.781 5.101 4.320 -0.001 0.000 0.291 419 A C -0.665 176.689 177.584 -0.383 0.000 1.096 419 A CA -0.033 51.657 52.037 -0.579 0.000 0.684 419 A CB 0.961 19.569 19.000 -0.655 0.000 1.282 419 A HN 0.529 nan 8.150 nan 0.000 0.412 420 G N -1.534 106.938 108.800 -0.547 0.000 2.466 420 G HA2 0.789 4.749 3.960 -0.001 0.000 0.291 420 G HA3 0.789 4.749 3.960 -0.001 0.000 0.291 420 G C -0.972 173.845 174.900 -0.138 0.000 1.460 420 G CA 0.396 45.388 45.100 -0.180 0.000 0.791 420 G HN 2.054 nan 8.290 nan 0.000 0.505 421 A N -0.811 122.116 122.820 0.178 0.000 2.423 421 A HA 0.906 5.226 4.320 -0.001 0.000 0.304 421 A C -1.081 176.612 177.584 0.182 0.000 1.104 421 A CA -0.738 51.439 52.037 0.234 0.000 0.757 421 A CB 2.145 21.473 19.000 0.546 0.000 1.313 421 A HN 1.595 nan 8.150 nan 0.000 0.423 422 V N 1.084 121.026 119.914 0.046 0.000 2.525 422 V HA 0.456 4.576 4.120 -0.001 0.000 0.299 422 V C -1.427 174.647 176.094 -0.033 0.000 1.034 422 V CA -0.174 62.199 62.300 0.121 0.000 0.863 422 V CB 1.048 32.943 31.823 0.120 0.000 0.999 422 V HN 0.699 nan 8.190 nan 0.000 0.423 423 F N 3.034 123.133 119.950 0.247 0.000 2.388 423 F HA 0.745 5.271 4.527 -0.001 0.000 0.358 423 F C 0.471 176.441 175.800 0.283 0.000 1.122 423 F CA -0.048 58.083 58.000 0.218 0.000 1.056 423 F CB 1.905 41.005 39.000 0.166 0.000 1.155 423 F HN 0.502 nan 8.300 nan 0.000 0.461 424 S N 2.578 118.452 115.700 0.290 0.000 2.556 424 S HA 0.263 4.732 4.470 -0.001 0.000 0.280 424 S C -0.001 174.666 174.600 0.111 0.000 1.141 424 S CA -0.863 57.460 58.200 0.205 0.000 0.883 424 S CB 1.221 64.453 63.200 0.052 0.000 1.103 424 S HN 0.696 nan 8.310 nan 0.000 0.453 425 K N 1.124 121.587 120.400 0.104 0.000 2.486 425 K HA 0.051 4.370 4.320 -0.001 0.000 0.194 425 K C -0.102 176.512 176.600 0.024 0.000 1.033 425 K CA 0.284 56.613 56.287 0.070 0.000 1.004 425 K CB 0.059 32.607 32.500 0.081 0.000 0.798 425 K HN 0.452 nan 8.250 nan 0.000 0.495 426 D N 1.438 121.833 120.400 -0.008 0.000 2.468 426 D HA 0.026 4.665 4.640 -0.001 0.000 0.218 426 D C 1.030 177.292 176.300 -0.062 0.000 1.155 426 D CA -0.189 53.783 54.000 -0.046 0.000 0.924 426 D CB 0.409 41.156 40.800 -0.088 0.000 1.029 426 D HN -0.117 nan 8.370 nan 0.000 0.515 427 I N 2.767 123.315 120.570 -0.036 0.000 2.286 427 I HA -0.118 4.052 4.170 -0.001 0.000 0.248 427 I C 2.341 178.428 176.117 -0.050 0.000 1.115 427 I CA 0.854 62.133 61.300 -0.036 0.000 1.392 427 I CB -1.399 36.590 38.000 -0.018 0.000 1.065 427 I HN 0.436 nan 8.210 nan 0.000 0.418 428 G N 1.062 109.832 108.800 -0.050 0.000 2.446 428 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.217 428 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.217 428 G C 1.826 176.679 174.900 -0.078 0.000 1.168 428 G CA 1.092 46.160 45.100 -0.054 0.000 0.771 428 G HN 0.372 nan 8.290 nan 0.000 0.551 429 K N 0.542 120.872 120.400 -0.116 0.000 2.026 429 K HA 0.020 4.339 4.320 -0.001 0.000 0.208 429 K C 2.828 179.322 176.600 -0.176 0.000 1.048 429 K CA 1.379 57.556 56.287 -0.183 0.000 0.929 429 K CB -0.387 31.928 32.500 -0.309 0.000 0.713 429 K HN 0.199 nan 8.250 nan 0.000 0.439 430 A N 1.015 123.747 122.820 -0.148 0.000 1.908 430 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 430 A C 2.041 179.590 177.584 -0.058 0.000 1.181 430 A CA 1.823 53.811 52.037 -0.081 0.000 0.627 430 A CB -0.620 18.349 19.000 -0.051 0.000 0.818 430 A HN 0.524 nan 8.150 nan 0.000 0.445 431 Q N -0.883 118.882 119.800 -0.059 0.000 2.084 431 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 431 Q C 2.415 178.385 176.000 -0.050 0.000 0.978 431 Q CA 1.506 57.279 55.803 -0.050 0.000 0.844 431 Q CB -0.176 28.537 28.738 -0.042 0.000 0.898 431 Q HN 0.609 nan 8.270 nan 0.000 0.426 432 R N -0.168 120.299 120.500 -0.054 0.000 2.083 432 R HA -0.143 4.197 4.340 -0.001 0.000 0.237 432 R C 2.324 178.599 176.300 -0.042 0.000 1.137 432 R CA 1.580 57.651 56.100 -0.047 0.000 0.951 432 R CB -0.494 29.775 30.300 -0.051 0.000 0.851 432 R HN 0.138 nan 8.270 nan 0.000 0.434 433 V N 1.005 120.897 119.914 -0.037 0.000 2.295 433 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 433 V C 2.499 178.567 176.094 -0.044 0.000 1.049 433 V CA 1.951 64.243 62.300 -0.014 0.000 1.024 433 V CB -0.824 31.036 31.823 0.062 0.000 0.648 433 V HN 0.422 nan 8.190 nan 0.000 0.447 434 A N 0.380 123.168 122.820 -0.054 0.000 1.917 434 A HA -0.266 4.053 4.320 -0.001 0.000 0.219 434 A C 2.052 179.578 177.584 -0.096 0.000 1.182 434 A CA 2.155 54.139 52.037 -0.087 0.000 0.633 434 A CB -0.708 18.240 19.000 -0.086 0.000 0.819 434 A HN 0.607 nan 8.150 nan 0.000 0.448 435 N N -0.426 118.232 118.700 -0.070 0.000 2.381 435 N HA -0.070 4.669 4.740 -0.001 0.000 0.182 435 N C 1.314 176.787 175.510 -0.061 0.000 1.025 435 N CA 1.073 54.087 53.050 -0.060 0.000 0.888 435 N CB -0.118 38.343 38.487 -0.042 0.000 0.965 435 N HN 0.580 nan 8.380 nan 0.000 0.438 436 K N 0.153 120.513 120.400 -0.067 0.000 2.367 436 K HA 0.210 4.529 4.320 -0.001 0.000 0.194 436 K C 0.235 176.774 176.600 -0.101 0.000 1.027 436 K CA -0.077 56.171 56.287 -0.066 0.000 1.075 436 K CB 0.538 33.008 32.500 -0.049 0.000 0.845 436 K HN 0.053 nan 8.250 nan 0.000 0.529 437 L N 2.176 123.315 121.223 -0.140 0.000 2.360 437 L HA 0.106 4.445 4.340 -0.001 0.000 0.276 437 L C 0.057 176.727 176.870 -0.333 0.000 1.121 437 L CA -0.042 54.677 54.840 -0.201 0.000 0.845 437 L CB 0.558 42.494 42.059 -0.205 0.000 1.143 437 L HN -0.104 nan 8.230 nan 0.000 0.452 438 K N 6.023 126.203 120.400 -0.367 0.000 2.307 438 K HA 0.453 4.772 4.320 -0.001 0.000 0.240 438 K C -0.976 175.046 176.600 -0.964 0.000 1.214 438 K CA 0.083 55.970 56.287 -0.666 0.000 1.149 438 K CB 0.001 32.351 32.500 -0.249 0.000 1.668 438 K HN 0.437 nan 8.250 nan 0.000 0.314 439 L N -0.829 119.706 121.223 -1.148 0.000 2.422 439 L HA 0.334 4.673 4.340 -0.001 0.000 0.264 439 L C 1.322 177.795 176.870 -0.662 0.000 0.984 439 L CA -0.883 53.495 54.840 -0.770 0.000 0.819 439 L CB 1.984 43.743 42.059 -0.500 0.000 1.330 439 L HN 0.447 nan 8.230 nan 0.000 0.410 440 G N 0.550 109.128 108.800 -0.371 0.000 2.443 440 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.219 440 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.219 440 G C 0.423 175.093 174.900 -0.384 0.000 1.131 440 G CA 0.679 45.650 45.100 -0.215 0.000 0.775 440 G HN 0.496 nan 8.290 nan 0.000 0.547 441 T N -0.227 113.970 114.554 -0.595 0.000 2.921 441 T HA 0.520 4.870 4.350 -0.001 0.000 0.297 441 T C -1.135 173.079 174.700 -0.809 0.000 1.013 441 T CA -0.415 61.284 62.100 -0.669 0.000 0.990 441 T CB 2.734 71.134 68.868 -0.780 0.000 1.023 441 T HN -0.077 nan 8.240 nan 0.000 0.447 442 V N 3.405 122.927 119.914 -0.653 0.000 2.487 442 V HA 0.505 4.624 4.120 -0.001 0.000 0.298 442 V C -0.803 175.005 176.094 -0.477 0.000 1.028 442 V CA -1.043 60.919 62.300 -0.565 0.000 0.860 442 V CB 1.609 33.243 31.823 -0.316 0.000 0.991 442 V HN 0.778 nan 8.190 nan 0.000 0.427 443 W N 4.776 125.962 121.300 -0.191 0.000 2.390 443 W HA 0.623 5.283 4.660 0.001 0.000 0.312 443 W C -0.434 175.949 176.519 -0.226 0.000 1.123 443 W CA -1.053 56.175 57.345 -0.195 0.000 1.202 443 W CB 1.406 30.722 29.460 -0.240 0.000 1.251 443 W HN 0.396 nan 8.180 nan 0.000 0.511 444 I N 4.848 125.422 120.570 0.008 0.000 2.330 444 I HA 0.077 4.247 4.170 -0.001 0.000 0.289 444 I C 0.189 176.185 176.117 -0.201 0.000 1.001 444 I CA -0.481 60.752 61.300 -0.111 0.000 1.193 444 I CB 0.583 38.547 38.000 -0.061 0.000 1.345 444 I HN 0.423 nan 8.210 nan 0.000 0.461 445 N N 3.823 122.216 118.700 -0.511 0.000 2.740 445 N HA -0.204 4.535 4.740 -0.001 0.000 0.248 445 N C -0.719 174.589 175.510 -0.337 0.000 1.062 445 N CA 1.002 53.689 53.050 -0.604 0.000 0.704 445 N CB -0.815 37.590 38.487 -0.136 0.000 0.968 445 N HN 0.694 nan 8.380 nan 0.000 0.547 446 D N -1.288 118.873 120.400 -0.398 0.000 2.665 446 D HA 0.626 5.265 4.640 -0.001 0.000 0.287 446 D C -1.496 174.798 176.300 -0.009 0.000 1.266 446 D CA -0.326 53.646 54.000 -0.046 0.000 0.830 446 D CB 1.218 41.966 40.800 -0.088 0.000 1.356 446 D HN -0.072 nan 8.370 nan 0.000 0.437 447 F N 1.384 121.161 119.950 -0.289 0.000 2.605 447 F HA 0.339 4.865 4.527 -0.001 0.000 0.320 447 F C 0.414 175.628 175.800 -0.977 0.000 1.159 447 F CA -0.220 57.388 58.000 -0.654 0.000 0.999 447 F CB 1.029 39.913 39.000 -0.193 0.000 1.258 447 F HN 0.542 nan 8.300 nan 0.000 0.464 448 H N 0.158 118.057 119.070 -1.951 0.000 4.345 448 H HA -0.103 4.453 4.556 -0.000 0.000 0.114 448 H C -2.300 172.591 175.328 -0.728 0.000 0.634 448 H CA 0.918 56.371 56.048 -0.991 0.000 1.188 448 H CB -2.192 27.352 29.762 -0.362 0.000 0.541 448 H HN 0.301 nan 8.280 nan 0.000 0.669 449 P HA 0.175 nan 4.420 nan 0.000 0.267 449 P C -0.422 176.935 177.300 0.095 0.000 1.205 449 P CA 0.726 63.681 63.100 -0.242 0.000 0.765 449 P CB 0.028 31.692 31.700 -0.060 0.000 0.828 450 Y N 1.949 122.241 120.300 -0.012 0.000 2.562 450 Y HA 0.832 5.381 4.550 -0.001 0.000 0.345 450 Y C -0.860 174.919 175.900 -0.202 0.000 1.045 450 Y CA -1.951 55.993 58.100 -0.259 0.000 1.028 450 Y CB 1.111 39.286 38.460 -0.476 0.000 1.297 450 Y HN 0.354 nan 8.280 nan 0.000 0.463 451 F N -1.919 118.071 119.950 0.067 0.000 2.719 451 F HA 0.770 5.297 4.527 -0.000 0.000 0.309 451 F C 0.492 176.129 175.800 -0.272 0.000 1.138 451 F CA -1.351 56.609 58.000 -0.067 0.000 0.943 451 F CB 0.945 39.896 39.000 -0.082 0.000 1.304 451 F HN 0.685 nan 8.300 nan 0.000 0.445 452 A N 0.165 122.915 122.820 -0.116 0.000 1.978 452 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 452 A C 1.656 178.627 177.584 -1.021 0.000 1.170 452 A CA 2.104 53.802 52.037 -0.565 0.000 0.636 452 A CB -0.825 17.855 19.000 -0.533 0.000 0.810 452 A HN 0.842 nan 8.150 nan 0.000 0.448 453 Q N -0.622 118.804 119.800 -0.623 0.000 2.364 453 Q HA 0.305 4.644 4.340 -0.001 0.000 0.207 453 Q C 0.628 176.531 176.000 -0.162 0.000 0.970 453 Q CA 1.051 56.540 55.803 -0.524 0.000 0.888 453 Q CB -0.263 28.415 28.738 -0.100 0.000 0.951 453 Q HN 0.649 nan 8.270 nan 0.000 0.469 454 A N 1.012 123.768 122.820 -0.107 0.000 2.386 454 A HA 0.614 4.933 4.320 -0.001 0.000 0.311 454 A C -2.627 174.864 177.584 -0.155 0.000 1.068 454 A CA -1.946 50.026 52.037 -0.108 0.000 0.743 454 A CB 1.019 19.933 19.000 -0.142 0.000 1.258 454 A HN -0.104 nan 8.150 nan 0.000 0.429 455 P HA 0.108 nan 4.420 nan 0.000 0.271 455 P C -0.866 176.434 177.300 0.001 0.000 1.218 455 P CA 0.059 63.135 63.100 -0.039 0.000 0.780 455 P CB 0.670 32.359 31.700 -0.019 0.000 0.901 456 W N 3.172 124.353 121.300 -0.197 0.000 2.839 456 W HA 0.556 5.217 4.660 0.002 0.000 0.334 456 W C -0.944 175.531 176.519 -0.074 0.000 1.064 456 W CA 0.006 57.251 57.345 -0.167 0.000 1.236 456 W CB 2.517 31.820 29.460 -0.262 0.000 1.405 456 W HN 0.754 nan 8.180 nan 0.000 0.478 457 G N 1.784 110.259 108.800 -0.542 0.000 2.313 457 G HA2 0.419 4.379 3.960 -0.001 0.000 0.296 457 G HA3 0.419 4.379 3.960 -0.001 0.000 0.296 457 G C -1.558 173.161 174.900 -0.303 0.000 1.356 457 G CA -0.247 44.671 45.100 -0.304 0.000 0.833 457 G HN 0.721 nan 8.290 nan 0.000 0.552 458 G N -1.392 107.331 108.800 -0.128 0.000 2.453 458 G HA2 0.652 4.612 3.960 -0.001 0.000 0.323 458 G HA3 0.652 4.612 3.960 -0.001 0.000 0.323 458 G C -0.845 174.105 174.900 0.084 0.000 1.198 458 G CA -0.699 44.378 45.100 -0.038 0.000 0.959 458 G HN 0.555 nan 8.290 nan 0.000 0.482 459 Y N 0.798 121.030 120.300 -0.114 0.000 2.298 459 Y HA 0.308 4.856 4.550 -0.003 0.000 0.329 459 Y C 1.383 177.257 175.900 -0.044 0.000 1.293 459 Y CA -0.074 57.978 58.100 -0.079 0.000 1.388 459 Y CB 0.972 39.382 38.460 -0.084 0.000 1.309 459 Y HN 0.771 nan 8.280 nan 0.000 0.544 460 K N -0.522 119.944 120.400 0.110 0.000 1.867 460 K HA -0.356 3.964 4.320 -0.001 0.000 0.140 460 K C 0.603 177.216 176.600 0.022 0.000 1.408 460 K CA 1.822 58.137 56.287 0.047 0.000 0.461 460 K CB -0.758 31.771 32.500 0.049 0.000 0.594 460 K HN 0.735 nan 8.250 nan 0.000 0.888 461 Q N 0.489 120.278 119.800 -0.018 0.000 2.415 461 Q HA 0.097 4.436 4.340 -0.001 0.000 0.206 461 Q C 1.007 177.066 176.000 0.098 0.000 0.946 461 Q CA 0.448 56.227 55.803 -0.040 0.000 0.951 461 Q CB 0.342 28.955 28.738 -0.208 0.000 1.026 461 Q HN 0.331 nan 8.270 nan 0.000 0.510 462 S N -0.014 115.796 115.700 0.184 0.000 2.522 462 S HA 0.153 4.623 4.470 -0.001 0.000 0.227 462 S C 0.673 175.349 174.600 0.127 0.000 0.986 462 S CA 0.553 58.894 58.200 0.234 0.000 0.929 462 S CB 0.430 63.734 63.200 0.173 0.000 0.769 462 S HN 0.610 nan 8.310 nan 0.000 0.529 463 G N 0.209 109.061 108.800 0.086 0.000 2.343 463 G HA2 0.357 4.316 3.960 -0.001 0.000 0.289 463 G HA3 0.357 4.316 3.960 -0.001 0.000 0.289 463 G C -2.080 172.837 174.900 0.028 0.000 1.295 463 G CA -0.985 44.155 45.100 0.067 0.000 0.869 463 G HN 0.145 nan 8.290 nan 0.000 0.522 464 I N 0.909 121.494 120.570 0.025 0.000 2.607 464 I HA 0.613 4.782 4.170 -0.001 0.000 0.290 464 I C 0.668 176.782 176.117 -0.005 0.000 1.129 464 I CA 0.335 61.631 61.300 -0.006 0.000 1.042 464 I CB 1.717 39.713 38.000 -0.007 0.000 1.242 464 I HN 1.994 nan 8.210 nan 0.000 0.421 465 G N 5.210 113.992 108.800 -0.030 0.000 2.725 465 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.220 465 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.220 465 G C -1.025 173.869 174.900 -0.009 0.000 1.357 465 G CA -0.833 44.253 45.100 -0.025 0.000 0.866 465 G HN 0.561 nan 8.290 nan 0.000 0.548 466 R N 0.185 120.691 120.500 0.011 0.000 2.771 466 R HA 0.603 4.943 4.340 -0.001 0.000 0.274 466 R C -0.409 175.942 176.300 0.084 0.000 0.987 466 R CA -0.724 55.398 56.100 0.037 0.000 0.908 466 R CB 1.793 32.102 30.300 0.015 0.000 1.213 466 R HN 0.760 nan 8.270 nan 0.000 0.468 467 E N 1.829 122.100 120.200 0.117 0.000 2.244 467 E HA 0.588 4.937 4.350 -0.001 0.000 0.266 467 E C -0.307 176.273 176.600 -0.034 0.000 0.914 467 E CA -0.879 55.583 56.400 0.103 0.000 0.794 467 E CB 1.842 31.672 29.700 0.217 0.000 1.210 467 E HN 0.345 nan 8.360 nan 0.000 0.414 468 L N -0.013 121.196 121.223 -0.024 0.000 0.585 468 L HA -0.267 4.072 4.340 -0.001 0.000 0.356 468 L C 0.597 177.505 176.870 0.062 0.000 0.963 468 L CA 0.741 55.552 54.840 -0.048 0.000 1.223 468 L CB -1.354 40.426 42.059 -0.464 0.000 0.011 468 L HN 1.016 nan 8.230 nan 0.000 0.091 469 G N 0.625 109.376 108.800 -0.081 0.000 2.752 469 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.234 469 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.234 469 G C 0.334 175.400 174.900 0.277 0.000 1.367 469 G CA 0.488 45.594 45.100 0.011 0.000 0.879 469 G HN 0.887 nan 8.290 nan 0.000 0.563 470 K N 0.026 120.561 120.400 0.225 0.000 2.097 470 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 470 K C 2.405 179.110 176.600 0.175 0.000 1.049 470 K CA 1.753 58.161 56.287 0.202 0.000 0.933 470 K CB -0.107 32.470 32.500 0.128 0.000 0.717 470 K HN 0.621 nan 8.250 nan 0.000 0.442 471 E N 0.103 120.378 120.200 0.124 0.000 2.110 471 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 471 E C 2.151 178.825 176.600 0.124 0.000 0.988 471 E CA 0.981 57.436 56.400 0.091 0.000 0.804 471 E CB -0.130 29.596 29.700 0.044 0.000 0.745 471 E HN 0.457 nan 8.360 nan 0.000 0.458 472 G N 1.317 110.225 108.800 0.181 0.000 2.418 472 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 472 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 472 G C 1.553 176.613 174.900 0.267 0.000 1.158 472 G CA 0.553 45.785 45.100 0.221 0.000 0.771 472 G HN 0.178 nan 8.290 nan 0.000 0.545 473 L N 0.490 121.924 121.223 0.352 0.000 2.083 473 L HA 0.011 4.350 4.340 -0.001 0.000 0.209 473 L C 2.651 179.662 176.870 0.235 0.000 1.083 473 L CA 1.871 56.892 54.840 0.301 0.000 0.752 473 L CB -0.314 41.959 42.059 0.357 0.000 0.899 473 L HN 0.329 nan 8.230 nan 0.000 0.433 474 E N -0.733 119.567 120.200 0.166 0.000 2.338 474 E HA -0.185 4.164 4.350 -0.001 0.000 0.197 474 E C 1.823 178.445 176.600 0.038 0.000 1.007 474 E CA 0.701 57.158 56.400 0.094 0.000 0.849 474 E CB -0.032 29.707 29.700 0.065 0.000 0.774 474 E HN 0.534 nan 8.360 nan 0.000 0.506 475 E N 0.005 120.208 120.200 0.006 0.000 2.204 475 E HA -0.163 4.186 4.350 -0.001 0.000 0.195 475 E C 0.900 177.295 176.600 -0.342 0.000 0.990 475 E CA 1.016 57.298 56.400 -0.197 0.000 0.821 475 E CB -0.068 29.439 29.700 -0.321 0.000 0.750 475 E HN 0.485 nan 8.360 nan 0.000 0.477 476 Y N -0.093 120.212 120.300 0.008 0.000 2.493 476 Y HA 0.251 4.801 4.550 -0.000 0.000 0.275 476 Y C 0.765 176.685 175.900 0.032 0.000 1.183 476 Y CA -0.011 58.096 58.100 0.012 0.000 1.258 476 Y CB 0.388 38.846 38.460 -0.005 0.000 1.108 476 Y HN -0.156 nan 8.280 nan 0.000 0.521 477 L N -0.416 120.865 121.223 0.097 0.000 2.323 477 L HA 0.723 5.062 4.340 -0.001 0.000 0.265 477 L C -1.019 175.876 176.870 0.042 0.000 1.012 477 L CA -1.254 53.636 54.840 0.084 0.000 0.820 477 L CB 2.575 44.683 42.059 0.082 0.000 1.334 477 L HN -0.314 nan 8.230 nan 0.000 0.427 478 V N 0.497 120.440 119.914 0.048 0.000 2.789 478 V HA 0.543 4.663 4.120 -0.001 0.000 0.311 478 V C -0.509 175.608 176.094 0.038 0.000 1.073 478 V CA -0.179 62.140 62.300 0.031 0.000 0.921 478 V CB 2.500 34.339 31.823 0.026 0.000 1.009 478 V HN 0.803 nan 8.190 nan 0.000 0.426 479 S N 5.556 121.273 115.700 0.029 0.000 2.525 479 S HA 0.548 5.018 4.470 -0.001 0.000 0.278 479 S C -0.617 174.010 174.600 0.045 0.000 1.234 479 S CA -0.481 57.739 58.200 0.034 0.000 1.058 479 S CB 1.041 64.253 63.200 0.021 0.000 0.983 479 S HN 0.734 nan 8.310 nan 0.000 0.495 480 K N 2.149 122.584 120.400 0.058 0.000 2.507 480 K HA 0.221 4.540 4.320 -0.001 0.000 0.252 480 K C -1.242 175.430 176.600 0.120 0.000 0.943 480 K CA -0.516 55.815 56.287 0.074 0.000 0.808 480 K CB 0.998 33.531 32.500 0.056 0.000 1.142 480 K HN 0.893 nan 8.250 nan 0.000 0.426 481 H N 6.281 125.353 119.070 0.004 0.000 2.652 481 H HA 0.267 4.823 4.556 -0.001 0.000 0.298 481 H C -0.770 174.559 175.328 0.002 0.000 1.076 481 H CA -0.605 55.444 56.048 0.002 0.000 1.360 481 H CB 0.541 30.303 29.762 -0.001 0.000 1.421 481 H HN 0.483 nan 8.280 nan 0.000 0.464 482 I N 7.572 128.171 120.570 0.049 0.000 2.330 482 I HA 0.134 4.303 4.170 -0.001 0.000 0.289 482 I C -0.572 175.461 176.117 -0.139 0.000 1.001 482 I CA -0.472 60.781 61.300 -0.079 0.000 1.193 482 I CB 1.543 39.538 38.000 -0.009 0.000 1.345 482 I HN 0.447 nan 8.210 nan 0.000 0.461 483 L N 6.815 127.868 121.223 -0.282 0.000 2.319 483 L HA 0.514 4.854 4.340 -0.001 0.000 0.281 483 L C -0.558 176.251 176.870 -0.101 0.000 1.005 483 L CA -0.043 54.672 54.840 -0.209 0.000 0.828 483 L CB 1.338 43.186 42.059 -0.351 0.000 1.227 483 L HN 0.507 nan 8.230 nan 0.000 0.415 484 T N 3.197 117.726 114.554 -0.042 0.000 2.767 484 T HA 0.240 4.589 4.350 -0.001 0.000 0.284 484 T C -0.159 174.533 174.700 -0.014 0.000 0.973 484 T CA -0.398 61.687 62.100 -0.026 0.000 0.996 484 T CB 0.753 69.614 68.868 -0.012 0.000 0.927 484 T HN 0.477 nan 8.240 nan 0.000 0.456 485 N N 2.451 121.143 118.700 -0.015 0.000 2.406 485 N HA 0.060 4.800 4.740 -0.001 0.000 0.251 485 N C 1.182 176.691 175.510 -0.002 0.000 1.069 485 N CA -0.243 52.804 53.050 -0.006 0.000 0.947 485 N CB 1.101 39.585 38.487 -0.006 0.000 1.111 485 N HN 0.705 nan 8.380 nan 0.000 0.497 486 T N 0.006 114.561 114.554 0.002 0.000 3.129 486 T HA 0.090 4.439 4.350 -0.001 0.000 0.251 486 T C 0.476 175.179 174.700 0.004 0.000 1.117 486 T CA -0.050 62.052 62.100 0.003 0.000 1.034 486 T CB -0.175 68.695 68.868 0.004 0.000 0.968 486 T HN 0.431 nan 8.240 nan 0.000 0.526 487 N N 1.937 120.640 118.700 0.005 0.000 2.673 487 N HA 0.314 5.054 4.740 -0.001 0.000 0.265 487 N C -3.260 172.254 175.510 0.008 0.000 1.709 487 N CA -1.546 51.508 53.050 0.006 0.000 0.792 487 N CB 1.106 39.598 38.487 0.007 0.000 1.286 487 N HN 0.104 nan 8.380 nan 0.000 0.506 488 P HA 0.215 nan 4.420 nan 0.000 0.271 488 P C -0.854 176.454 177.300 0.013 0.000 1.216 488 P CA 0.062 63.168 63.100 0.009 0.000 0.771 488 P CB 0.957 32.661 31.700 0.007 0.000 0.864 489 Q N 1.344 121.154 119.800 0.017 0.000 2.423 489 Q HA 0.394 4.734 4.340 -0.001 0.000 0.278 489 Q C -0.397 175.620 176.000 0.029 0.000 1.097 489 Q CA -1.236 54.580 55.803 0.021 0.000 0.809 489 Q CB 1.581 30.331 28.738 0.020 0.000 1.391 489 Q HN 0.265 nan 8.270 nan 0.000 0.428 490 L N 1.177 122.419 121.223 0.033 0.000 2.525 490 L HA -0.042 4.298 4.340 -0.001 0.000 0.278 490 L C 1.413 178.316 176.870 0.054 0.000 1.218 490 L CA 0.653 55.521 54.840 0.046 0.000 0.878 490 L CB 0.111 42.198 42.059 0.047 0.000 1.127 490 L HN 0.567 nan 8.230 nan 0.000 0.492 491 V N 1.396 121.354 119.914 0.074 0.000 2.599 491 V HA -0.049 4.070 4.120 -0.001 0.000 0.245 491 V C 0.874 177.032 176.094 0.107 0.000 1.046 491 V CA 0.623 62.978 62.300 0.091 0.000 1.065 491 V CB -0.570 31.315 31.823 0.103 0.000 0.703 491 V HN 0.996 nan 8.190 nan 0.000 0.464 492 N N -0.871 117.901 118.700 0.121 0.000 2.735 492 N HA -0.248 4.491 4.740 -0.001 0.000 0.248 492 N C 0.647 176.215 175.510 0.096 0.000 1.083 492 N CA 1.041 54.156 53.050 0.108 0.000 0.703 492 N CB -1.434 37.087 38.487 0.057 0.000 1.005 492 N HN 0.795 nan 8.380 nan 0.000 0.550 493 W N 0.361 121.595 121.300 -0.111 0.000 2.381 493 W HA -0.031 4.629 4.660 -0.001 0.000 0.301 493 W C -0.050 176.243 176.519 -0.377 0.000 1.205 493 W CA 0.848 58.013 57.345 -0.300 0.000 1.285 493 W CB -0.186 28.987 29.460 -0.478 0.000 1.133 493 W HN 0.102 nan 8.180 nan 0.000 0.521 494 F N 1.739 121.864 119.950 0.292 0.000 2.375 494 F HA 0.156 4.682 4.527 -0.001 0.000 0.362 494 F C 1.554 177.396 175.800 0.070 0.000 1.129 494 F CA -0.051 58.052 58.000 0.171 0.000 1.154 494 F CB 0.991 40.102 39.000 0.184 0.000 1.205 494 F HN -0.333 nan 8.300 nan 0.000 0.513 495 S N 1.763 117.542 115.700 0.132 0.000 2.382 495 S HA -0.097 4.372 4.470 -0.001 0.000 0.228 495 S C 1.073 175.718 174.600 0.076 0.000 1.027 495 S CA 1.148 59.386 58.200 0.062 0.000 0.991 495 S CB -0.023 63.178 63.200 0.002 0.000 0.823 495 S HN 0.493 nan 8.310 nan 0.000 0.469 496 K N 0.000 120.456 120.400 0.093 0.000 2.780 496 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 496 K CA 0.000 56.327 56.287 0.066 0.000 0.838 496 K CB 0.000 32.530 32.500 0.051 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543