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 1gyc_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIGPAASLVV ANAPVSPDGF LRDAIVVNGV FPSPLITGKK GDRFQLNVVD DATA SEQUENCE TLTNHTMLKS TSIHWHGFFQ AGTNWADGPA FVNQcPIASG HSFLYDFHVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPFVVYDPK DPHASRYDVD NESTVITLTD DATA SEQUENCE WYHTAARLGP RFPLGADATL INGLGRSAST PTAALAVINV QHGKRYRFRL DATA SEQUENCE VSIScDPNYT FSIDGHNLTV IEVDGINSQP LLVDSIQIFA AQRYSFVLNA DATA SEQUENCE NQTVGNYWIR ANPNFGTVGF AGGINSAILR YQGAPVAEPT TTQTTSVIPL DATA SEQUENCE IETNLHPLAR MPVPGSPTPG GVDKALNLAF NFNGTNFFIN NASFTPPTVP DATA SEQUENCE VLLQILSGAQ TAQDLLPAGS VYPLPAHSTI EITLPATALA PGAPHPFHLH DATA SEQUENCE GHAFAVVRSA GSTTYNYNDP IFRDVVSTGT PAAGDNVTIR FQTDNPGPWF DATA SEQUENCE LHCHIDFHLE AGFAIVFAED VADVKAANPV PKAWSDLcPI YDGLSEANQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.590 177.584 0.011 0.000 1.274 1 A CA 0.000 52.056 52.037 0.031 0.000 0.836 1 A CB 0.000 19.032 19.000 0.054 0.000 0.831 2 I N -1.583 118.980 120.570 -0.010 0.000 3.174 2 I HA 0.985 5.159 4.170 0.006 0.000 0.313 2 I C 0.349 176.423 176.117 -0.071 0.000 1.155 2 I CA -0.538 60.742 61.300 -0.033 0.000 0.977 2 I CB 2.097 40.080 38.000 -0.028 0.000 1.248 2 I HN 2.378 nan 8.210 nan 0.000 0.453 3 G N 2.775 111.524 108.800 -0.084 0.000 2.555 3 G HA2 -0.020 3.944 3.960 0.006 0.000 0.686 3 G HA3 -0.020 3.944 3.960 0.006 0.000 0.686 3 G C -2.531 172.295 174.900 -0.123 0.000 1.275 3 G CA -0.222 44.813 45.100 -0.109 0.000 0.871 3 G HN 0.689 nan 8.290 nan 0.000 0.603 4 P HA 0.341 nan 4.420 nan 0.000 0.241 4 P C 0.634 177.752 177.300 -0.303 0.000 1.191 4 P CA 1.426 64.298 63.100 -0.381 0.000 0.771 4 P CB 0.399 31.486 31.700 -1.021 0.000 0.929 5 A N 0.185 122.866 122.820 -0.231 0.000 2.271 5 A HA 0.708 5.032 4.320 0.006 0.000 0.317 5 A C -0.210 177.303 177.584 -0.119 0.000 1.245 5 A CA -0.272 51.656 52.037 -0.182 0.000 0.857 5 A CB 0.925 19.827 19.000 -0.162 0.000 1.175 5 A HN 0.283 nan 8.150 nan 0.000 0.512 6 A N 1.577 124.340 122.820 -0.094 0.000 2.601 6 A HA 0.780 5.104 4.320 0.006 0.000 0.291 6 A C -0.460 177.116 177.584 -0.014 0.000 1.075 6 A CA -0.431 51.575 52.037 -0.052 0.000 0.671 6 A CB 0.773 19.737 19.000 -0.060 0.000 1.277 6 A HN 0.957 nan 8.150 nan 0.000 0.417 7 S N -0.075 115.635 115.700 0.017 0.000 2.509 7 S HA 0.707 5.181 4.470 0.006 0.000 0.297 7 S C -0.823 173.829 174.600 0.085 0.000 1.118 7 S CA -0.365 57.870 58.200 0.058 0.000 1.074 7 S CB 0.729 63.964 63.200 0.057 0.000 1.038 7 S HN 0.492 nan 8.310 nan 0.000 0.498 8 L N 3.150 124.453 121.223 0.133 0.000 2.345 8 L HA 0.464 4.808 4.340 0.006 0.000 0.274 8 L C -0.956 176.022 176.870 0.180 0.000 0.999 8 L CA -0.746 54.194 54.840 0.166 0.000 0.849 8 L CB 1.394 43.582 42.059 0.216 0.000 1.220 8 L HN 0.327 nan 8.230 nan 0.000 0.422 9 V N 4.422 124.428 119.914 0.154 0.000 2.368 9 V HA 0.217 4.341 4.120 0.006 0.000 0.266 9 V C 0.368 176.560 176.094 0.164 0.000 1.045 9 V CA -0.496 61.893 62.300 0.148 0.000 0.899 9 V CB 1.472 33.365 31.823 0.117 0.000 1.006 9 V HN 0.379 nan 8.190 nan 0.000 0.470 10 V N 4.866 124.887 119.914 0.178 0.000 2.465 10 V HA 0.875 4.999 4.120 0.006 0.000 0.279 10 V C 0.454 176.644 176.094 0.159 0.000 1.045 10 V CA 0.109 62.519 62.300 0.185 0.000 0.938 10 V CB 1.084 33.029 31.823 0.203 0.000 0.986 10 V HN 1.062 nan 8.190 nan 0.000 0.467 11 A N 4.580 127.491 122.820 0.153 0.000 2.581 11 A HA 0.702 5.025 4.320 0.006 0.000 0.290 11 A C -1.091 176.570 177.584 0.129 0.000 1.119 11 A CA -0.874 51.242 52.037 0.131 0.000 0.670 11 A CB 1.470 20.540 19.000 0.116 0.000 1.280 11 A HN 0.627 nan 8.150 nan 0.000 0.425 12 N N 0.055 118.823 118.700 0.113 0.000 2.443 12 N HA 0.742 5.486 4.740 0.006 0.000 0.295 12 N C -0.469 175.099 175.510 0.097 0.000 1.076 12 N CA 0.369 53.483 53.050 0.106 0.000 0.919 12 N CB 1.891 40.434 38.487 0.093 0.000 1.176 12 N HN 1.141 nan 8.380 nan 0.000 0.487 13 A N 1.841 124.721 122.820 0.099 0.000 2.608 13 A HA 0.609 4.933 4.320 0.006 0.000 0.292 13 A C -2.969 174.668 177.584 0.089 0.000 1.066 13 A CA -1.090 50.999 52.037 0.088 0.000 0.676 13 A CB 1.584 20.638 19.000 0.091 0.000 1.277 13 A HN 0.356 nan 8.150 nan 0.000 0.413 14 P HA 0.497 nan 4.420 nan 0.000 0.285 14 P C -0.434 176.913 177.300 0.078 0.000 1.259 14 P CA -0.163 62.979 63.100 0.070 0.000 0.794 14 P CB 1.176 32.900 31.700 0.040 0.000 0.940 15 V N -0.328 119.647 119.914 0.101 0.000 3.102 15 V HA 0.891 5.015 4.120 0.006 0.000 0.312 15 V C -0.289 175.864 176.094 0.099 0.000 1.135 15 V CA -1.080 61.273 62.300 0.088 0.000 1.022 15 V CB 2.056 33.919 31.823 0.066 0.000 1.056 15 V HN 0.564 nan 8.190 nan 0.000 0.436 16 S N 0.046 115.784 115.700 0.064 0.000 2.486 16 S HA 0.460 4.934 4.470 0.006 0.000 0.144 16 S C -1.827 172.795 174.600 0.036 0.000 1.542 16 S CA -0.467 57.782 58.200 0.082 0.000 1.262 16 S CB 0.956 64.187 63.200 0.052 0.000 1.462 16 S HN 0.748 nan 8.310 nan 0.000 0.381 17 P HA -0.027 nan 4.420 nan 0.000 0.221 17 P C 0.320 177.606 177.300 -0.024 0.000 1.150 17 P CA 1.294 64.337 63.100 -0.094 0.000 0.800 17 P CB -0.099 31.433 31.700 -0.280 0.000 0.787 18 D N -2.007 118.432 120.400 0.064 0.000 2.501 18 D HA 0.213 4.856 4.640 0.006 0.000 0.226 18 D C 1.277 177.678 176.300 0.168 0.000 1.198 18 D CA -0.126 53.959 54.000 0.142 0.000 0.830 18 D CB -0.479 40.470 40.800 0.249 0.000 1.014 18 D HN 0.208 nan 8.370 nan 0.000 0.496 19 G N 0.275 109.152 108.800 0.128 0.000 2.179 19 G HA2 -0.297 3.667 3.960 0.006 0.000 0.260 19 G HA3 -0.297 3.667 3.960 0.006 0.000 0.260 19 G C -0.126 174.851 174.900 0.128 0.000 0.977 19 G CA 0.202 45.366 45.100 0.108 0.000 0.641 19 G HN 0.464 nan 8.290 nan 0.000 0.533 20 F N 1.216 121.160 119.950 -0.009 0.000 2.404 20 F HA 0.724 5.253 4.527 0.005 0.000 0.354 20 F C 0.242 176.014 175.800 -0.047 0.000 1.122 20 F CA -1.512 56.421 58.000 -0.112 0.000 1.080 20 F CB 0.973 39.714 39.000 -0.432 0.000 1.131 20 F HN 0.074 nan 8.300 nan 0.000 0.471 21 L N 7.869 128.829 121.223 -0.439 0.000 2.319 21 L HA 0.473 4.817 4.340 0.006 0.000 0.280 21 L C -0.587 176.166 176.870 -0.195 0.000 1.099 21 L CA 0.204 54.913 54.840 -0.219 0.000 0.828 21 L CB 0.293 42.231 42.059 -0.200 0.000 1.150 21 L HN 0.815 nan 8.230 nan 0.000 0.442 22 R N 2.238 122.790 120.500 0.086 0.000 2.707 22 R HA 0.546 4.889 4.340 0.006 0.000 0.272 22 R C -1.439 174.946 176.300 0.141 0.000 1.011 22 R CA -0.920 55.269 56.100 0.149 0.000 0.893 22 R CB 0.956 31.439 30.300 0.305 0.000 1.233 22 R HN 0.365 nan 8.270 nan 0.000 0.464 23 D N 0.512 120.973 120.400 0.102 0.000 2.382 23 D HA 0.498 5.141 4.640 0.006 0.000 0.245 23 D C -0.293 176.074 176.300 0.111 0.000 1.120 23 D CA 0.508 54.564 54.000 0.092 0.000 0.890 23 D CB 1.804 42.644 40.800 0.066 0.000 1.201 23 D HN 0.674 nan 8.370 nan 0.000 0.433 24 A N 1.972 124.864 122.820 0.120 0.000 2.593 24 A HA 0.655 4.979 4.320 0.006 0.000 0.304 24 A C -1.193 176.467 177.584 0.126 0.000 1.233 24 A CA -0.629 51.485 52.037 0.129 0.000 0.661 24 A CB 0.823 19.947 19.000 0.206 0.000 1.338 24 A HN 0.475 nan 8.150 nan 0.000 0.495 25 I N 1.018 121.675 120.570 0.146 0.000 2.404 25 I HA 0.536 4.710 4.170 0.006 0.000 0.293 25 I C -0.446 175.803 176.117 0.220 0.000 0.992 25 I CA -0.916 60.487 61.300 0.171 0.000 1.149 25 I CB 1.826 39.934 38.000 0.181 0.000 1.315 25 I HN 0.613 nan 8.210 nan 0.000 0.446 26 V N 4.292 124.330 119.914 0.208 0.000 3.046 26 V HA 0.713 4.836 4.120 0.006 0.000 0.316 26 V C -0.634 175.589 176.094 0.216 0.000 1.104 26 V CA -0.712 61.728 62.300 0.234 0.000 1.006 26 V CB 2.140 34.078 31.823 0.191 0.000 1.058 26 V HN 0.382 nan 8.190 nan 0.000 0.440 27 V N 2.697 122.742 119.914 0.218 0.000 2.483 27 V HA 0.536 4.660 4.120 0.006 0.000 0.297 27 V C 0.021 176.219 176.094 0.174 0.000 1.027 27 V CA -0.508 61.920 62.300 0.213 0.000 0.855 27 V CB 0.980 32.964 31.823 0.269 0.000 0.995 27 V HN 1.026 nan 8.190 nan 0.000 0.424 28 N N 3.887 122.676 118.700 0.149 0.000 2.735 28 N HA -0.205 4.539 4.740 0.006 0.000 0.248 28 N C 1.211 176.784 175.510 0.105 0.000 1.083 28 N CA 1.741 54.861 53.050 0.117 0.000 0.703 28 N CB -1.146 37.407 38.487 0.109 0.000 1.005 28 N HN 1.560 nan 8.380 nan 0.000 0.550 29 G N -2.936 105.932 108.800 0.114 0.000 2.189 29 G HA2 -0.277 3.687 3.960 0.006 0.000 0.267 29 G HA3 -0.277 3.687 3.960 0.006 0.000 0.267 29 G C 0.205 175.172 174.900 0.113 0.000 0.975 29 G CA 1.320 46.483 45.100 0.104 0.000 0.644 29 G HN 1.406 nan 8.290 nan 0.000 0.537 30 V N -3.158 116.833 119.914 0.128 0.000 3.126 30 V HA 0.964 5.087 4.120 0.006 0.000 0.314 30 V C -0.541 175.670 176.094 0.195 0.000 1.138 30 V CA -1.342 61.034 62.300 0.126 0.000 1.034 30 V CB 2.267 34.133 31.823 0.071 0.000 1.075 30 V HN 1.166 nan 8.190 nan 0.000 0.442 31 F N 1.751 121.708 119.950 0.011 0.000 2.588 31 F HA 0.903 5.433 4.527 0.004 0.000 0.314 31 F C -2.802 172.953 175.800 -0.074 0.000 1.134 31 F CA -1.841 56.149 58.000 -0.016 0.000 0.961 31 F CB 1.813 40.785 39.000 -0.046 0.000 1.239 31 F HN 0.536 nan 8.300 nan 0.000 0.448 32 P HA 0.256 nan 4.420 nan 0.000 0.272 32 P C -0.842 176.294 177.300 -0.274 0.000 1.254 32 P CA -0.301 62.175 63.100 -1.041 0.000 0.795 32 P CB 0.458 31.741 31.700 -0.695 0.000 1.022 33 S N 1.628 117.276 115.700 -0.086 0.000 2.573 33 S HA 0.177 4.650 4.470 0.006 0.000 0.277 33 S C -2.084 172.576 174.600 0.100 0.000 1.346 33 S CA -0.681 57.560 58.200 0.067 0.000 1.034 33 S CB -0.697 62.542 63.200 0.064 0.000 0.879 33 S HN 0.402 nan 8.310 nan 0.000 0.528 34 P HA 0.078 nan 4.420 nan 0.000 0.269 34 P C -0.371 177.070 177.300 0.234 0.000 1.209 34 P CA -0.575 62.624 63.100 0.165 0.000 0.776 34 P CB 0.274 32.058 31.700 0.141 0.000 0.876 35 L N 3.843 125.151 121.223 0.141 0.000 2.462 35 L HA 0.181 4.524 4.340 0.006 0.000 0.272 35 L C -0.258 176.648 176.870 0.060 0.000 1.166 35 L CA 0.350 55.273 54.840 0.140 0.000 0.880 35 L CB -0.573 41.541 42.059 0.092 0.000 1.142 35 L HN 0.209 nan 8.230 nan 0.000 0.473 36 I N 4.792 125.340 120.570 -0.036 0.000 2.412 36 I HA 0.493 4.667 4.170 0.006 0.000 0.296 36 I C 0.099 176.029 176.117 -0.312 0.000 0.987 36 I CA -0.391 60.702 61.300 -0.345 0.000 1.180 36 I CB 1.763 39.222 38.000 -0.902 0.000 1.340 36 I HN 0.779 nan 8.210 nan 0.000 0.455 37 T N 1.518 115.998 114.554 -0.123 0.000 2.883 37 T HA 0.921 5.275 4.350 0.006 0.000 0.296 37 T C -0.384 174.465 174.700 0.248 0.000 1.117 37 T CA -0.827 61.340 62.100 0.112 0.000 1.006 37 T CB 2.356 71.385 68.868 0.269 0.000 1.191 37 T HN 0.885 nan 8.240 nan 0.000 0.508 38 G N 0.482 109.525 108.800 0.404 0.000 2.554 38 G HA2 0.600 4.564 3.960 0.006 0.000 0.306 38 G HA3 0.600 4.564 3.960 0.006 0.000 0.306 38 G C -2.016 173.091 174.900 0.344 0.000 1.320 38 G CA -0.967 44.320 45.100 0.311 0.000 0.800 38 G HN 0.677 nan 8.290 nan 0.000 0.481 39 K N 0.625 121.137 120.400 0.186 0.000 2.259 39 K HA 0.383 4.706 4.320 0.006 0.000 0.252 39 K C -0.135 176.561 176.600 0.161 0.000 0.936 39 K CA -0.949 55.450 56.287 0.187 0.000 0.810 39 K CB 2.345 34.902 32.500 0.094 0.000 1.143 39 K HN 0.656 nan 8.250 nan 0.000 0.427 40 K N 0.329 120.834 120.400 0.174 0.000 2.543 40 K HA -0.077 4.247 4.320 0.006 0.000 0.279 40 K C 0.746 177.401 176.600 0.092 0.000 1.001 40 K CA 1.774 58.146 56.287 0.142 0.000 1.088 40 K CB -0.146 32.430 32.500 0.126 0.000 0.863 40 K HN 0.811 nan 8.250 nan 0.000 0.488 41 G N 3.034 111.886 108.800 0.087 0.000 2.234 41 G HA2 -0.212 3.752 3.960 0.006 0.000 0.235 41 G HA3 -0.212 3.752 3.960 0.006 0.000 0.235 41 G C -0.225 174.693 174.900 0.030 0.000 0.997 41 G CA 0.149 45.285 45.100 0.060 0.000 0.623 41 G HN 0.716 nan 8.290 nan 0.000 0.514 42 D N 0.267 120.640 120.400 -0.046 0.000 2.368 42 D HA 0.431 5.074 4.640 0.006 0.000 0.240 42 D C 0.889 176.991 176.300 -0.330 0.000 1.169 42 D CA -0.070 53.776 54.000 -0.257 0.000 0.906 42 D CB 0.579 41.020 40.800 -0.599 0.000 1.187 42 D HN 0.503 nan 8.370 nan 0.000 0.435 43 R N 1.426 121.643 120.500 -0.473 0.000 2.265 43 R HA 0.285 4.629 4.340 0.006 0.000 0.319 43 R C -1.092 174.720 176.300 -0.813 0.000 1.006 43 R CA -0.431 55.261 56.100 -0.678 0.000 0.880 43 R CB 0.221 30.145 30.300 -0.626 0.000 1.077 43 R HN 0.166 nan 8.270 nan 0.000 0.454 44 F N 2.866 122.324 119.950 -0.822 0.000 2.415 44 F HA 0.289 4.819 4.527 0.006 0.000 0.348 44 F C 0.200 175.512 175.800 -0.813 0.000 1.119 44 F CA -0.281 57.189 58.000 -0.882 0.000 1.069 44 F CB 2.023 40.236 39.000 -1.311 0.000 1.124 44 F HN 0.393 nan 8.300 nan 0.000 0.472 45 Q N 5.233 124.794 119.800 -0.398 0.000 2.558 45 Q HA 0.421 4.765 4.340 0.006 0.000 0.252 45 Q C -1.283 174.603 176.000 -0.189 0.000 1.015 45 Q CA -0.296 55.344 55.803 -0.272 0.000 0.720 45 Q CB 1.650 30.263 28.738 -0.209 0.000 1.215 45 Q HN 0.594 nan 8.270 nan 0.000 0.500 46 L N 2.153 123.274 121.223 -0.170 0.000 2.277 46 L HA 0.375 4.718 4.340 0.006 0.000 0.284 46 L C 0.061 177.000 176.870 0.115 0.000 1.028 46 L CA -0.427 54.372 54.840 -0.068 0.000 0.835 46 L CB 0.864 42.776 42.059 -0.244 0.000 1.215 46 L HN 0.500 nan 8.230 nan 0.000 0.425 47 N N 3.023 121.777 118.700 0.091 0.000 2.406 47 N HA 0.216 4.960 4.740 0.006 0.000 0.251 47 N C -1.001 174.642 175.510 0.222 0.000 1.069 47 N CA -0.444 52.687 53.050 0.136 0.000 0.947 47 N CB 1.331 39.860 38.487 0.069 0.000 1.111 47 N HN 0.255 nan 8.380 nan 0.000 0.497 48 V N 4.624 124.741 119.914 0.338 0.000 2.348 48 V HA 0.182 4.306 4.120 0.006 0.000 0.270 48 V C 0.132 176.408 176.094 0.303 0.000 1.037 48 V CA -0.601 61.925 62.300 0.376 0.000 0.872 48 V CB 1.211 33.376 31.823 0.570 0.000 1.002 48 V HN 0.350 nan 8.190 nan 0.000 0.464 49 V N 4.297 124.353 119.914 0.236 0.000 2.350 49 V HA 0.321 4.444 4.120 0.006 0.000 0.276 49 V C -0.067 176.145 176.094 0.197 0.000 1.028 49 V CA -0.554 61.864 62.300 0.197 0.000 0.860 49 V CB 1.611 33.522 31.823 0.147 0.000 0.990 49 V HN 0.846 nan 8.190 nan 0.000 0.453 50 D N 3.998 124.521 120.400 0.205 0.000 2.396 50 D HA 0.239 4.883 4.640 0.006 0.000 0.225 50 D C 0.927 177.324 176.300 0.161 0.000 1.121 50 D CA -0.159 53.958 54.000 0.195 0.000 0.853 50 D CB 1.631 42.560 40.800 0.215 0.000 1.043 50 D HN 0.671 nan 8.370 nan 0.000 0.500 51 T N 1.322 115.962 114.554 0.143 0.000 3.228 51 T HA 0.261 4.615 4.350 0.006 0.000 0.278 51 T C 1.005 175.775 174.700 0.116 0.000 1.014 51 T CA -0.506 61.665 62.100 0.117 0.000 0.904 51 T CB -0.524 68.404 68.868 0.101 0.000 1.110 51 T HN 0.226 nan 8.240 nan 0.000 0.541 52 L N 2.513 123.815 121.223 0.132 0.000 2.485 52 L HA 0.276 4.620 4.340 0.006 0.000 0.275 52 L C 1.644 178.585 176.870 0.118 0.000 1.207 52 L CA 0.217 55.134 54.840 0.128 0.000 0.855 52 L CB 0.692 42.835 42.059 0.141 0.000 1.114 52 L HN 0.469 nan 8.230 nan 0.000 0.485 53 T N -2.805 111.813 114.554 0.107 0.000 3.016 53 T HA 0.090 4.444 4.350 0.006 0.000 0.271 53 T C 0.471 175.233 174.700 0.104 0.000 0.968 53 T CA -0.386 61.772 62.100 0.098 0.000 0.891 53 T CB 0.034 68.950 68.868 0.080 0.000 1.149 53 T HN 0.399 nan 8.240 nan 0.000 0.524 54 N N 1.544 120.309 118.700 0.107 0.000 2.501 54 N HA 0.190 4.933 4.740 0.006 0.000 0.245 54 N C 0.382 175.966 175.510 0.124 0.000 0.974 54 N CA -0.179 52.934 53.050 0.105 0.000 0.941 54 N CB 1.239 39.773 38.487 0.079 0.000 1.122 54 N HN 0.271 nan 8.380 nan 0.000 0.507 55 H N 2.596 121.699 119.070 0.054 0.000 2.456 55 H HA -0.000 4.559 4.556 0.006 0.000 0.296 55 H C 0.924 176.282 175.328 0.051 0.000 1.079 55 H CA 2.070 58.151 56.048 0.054 0.000 1.322 55 H CB 0.362 30.150 29.762 0.043 0.000 1.388 55 H HN 0.476 nan 8.280 nan 0.000 0.538 56 T N -0.020 114.482 114.554 -0.086 0.000 2.929 56 T HA -0.076 4.277 4.350 0.006 0.000 0.271 56 T C 1.424 176.057 174.700 -0.112 0.000 1.085 56 T CA 1.414 63.437 62.100 -0.129 0.000 1.125 56 T CB -0.071 68.779 68.868 -0.030 0.000 0.874 56 T HN 0.416 nan 8.240 nan 0.000 0.494 57 M N 0.596 120.163 119.600 -0.056 0.000 2.405 57 M HA 0.362 4.846 4.480 0.006 0.000 0.292 57 M C -0.814 175.485 176.300 -0.001 0.000 1.111 57 M CA -0.072 55.215 55.300 -0.022 0.000 0.979 57 M CB 0.465 33.078 32.600 0.021 0.000 1.426 57 M HN 0.070 nan 8.290 nan 0.000 0.509 58 L N 0.315 121.515 121.223 -0.037 0.000 1.152 58 L HA -0.242 4.102 4.340 0.006 0.000 0.395 58 L C 0.478 177.423 176.870 0.125 0.000 1.003 58 L CA 0.033 54.895 54.840 0.036 0.000 1.222 58 L CB -0.418 41.684 42.059 0.073 0.000 0.742 58 L HN 0.367 nan 8.230 nan 0.000 0.402 59 K N 0.499 121.016 120.400 0.195 0.000 2.365 59 K HA 0.105 4.429 4.320 0.006 0.000 0.197 59 K C 0.768 177.480 176.600 0.187 0.000 1.042 59 K CA 0.545 56.942 56.287 0.184 0.000 0.987 59 K CB 0.237 32.849 32.500 0.187 0.000 0.779 59 K HN 0.544 nan 8.250 nan 0.000 0.484 60 S N 0.191 116.018 115.700 0.211 0.000 2.669 60 S HA 0.293 4.767 4.470 0.006 0.000 0.270 60 S C 0.131 174.829 174.600 0.163 0.000 1.225 60 S CA -0.465 57.861 58.200 0.209 0.000 0.991 60 S CB 1.770 65.148 63.200 0.298 0.000 0.987 60 S HN 0.126 nan 8.310 nan 0.000 0.552 61 T N 0.130 114.765 114.554 0.134 0.000 2.749 61 T HA 0.606 4.960 4.350 0.006 0.000 0.310 61 T C -2.084 172.685 174.700 0.114 0.000 1.496 61 T CA -0.509 61.670 62.100 0.133 0.000 1.006 61 T CB 1.232 70.203 68.868 0.172 0.000 1.457 61 T HN 0.896 nan 8.240 nan 0.000 0.497 62 S N 1.832 117.610 115.700 0.129 0.000 2.563 62 S HA 0.655 5.129 4.470 0.006 0.000 0.279 62 S C -1.490 173.175 174.600 0.109 0.000 1.155 62 S CA -0.832 57.465 58.200 0.161 0.000 0.928 62 S CB 0.544 63.779 63.200 0.057 0.000 1.107 62 S HN 0.722 nan 8.310 nan 0.000 0.462 63 I N 3.408 123.994 120.570 0.026 0.000 2.441 63 I HA 0.448 4.621 4.170 0.006 0.000 0.295 63 I C -0.316 175.355 176.117 -0.744 0.000 0.994 63 I CA -0.668 60.379 61.300 -0.423 0.000 1.144 63 I CB 1.728 39.338 38.000 -0.649 0.000 1.314 63 I HN 0.860 nan 8.210 nan 0.000 0.445 64 H N 5.126 123.668 119.070 -0.880 0.000 2.457 64 H HA 0.394 4.954 4.556 0.006 0.000 0.335 64 H C -1.721 172.927 175.328 -1.134 0.000 1.115 64 H CA -0.944 54.597 56.048 -0.845 0.000 1.219 64 H CB 0.939 30.454 29.762 -0.410 0.000 1.471 64 H HN 0.369 nan 8.280 nan 0.000 0.491 65 W N 5.115 125.928 121.300 -0.812 0.000 2.295 65 W HA 0.210 4.873 4.660 0.006 0.000 0.333 65 W C -0.130 175.770 176.519 -1.031 0.000 0.990 65 W CA -0.933 56.032 57.345 -0.633 0.000 1.453 65 W CB -0.143 29.045 29.460 -0.453 0.000 1.263 65 W HN 0.678 nan 8.180 nan 0.000 0.380 66 H N 1.943 120.388 119.070 -1.043 0.000 2.975 66 H HA 0.359 4.919 4.556 0.007 0.000 0.303 66 H C 1.386 176.337 175.328 -0.628 0.000 1.023 66 H CA 1.783 57.293 56.048 -0.897 0.000 1.473 66 H CB 0.483 29.693 29.762 -0.920 0.000 1.498 66 H HN 0.797 nan 8.280 nan 0.000 0.549 67 G N 3.802 112.270 108.800 -0.554 0.000 2.213 67 G HA2 -0.263 3.700 3.960 0.006 0.000 0.226 67 G HA3 -0.263 3.700 3.960 0.006 0.000 0.226 67 G C -0.225 174.202 174.900 -0.789 0.000 0.992 67 G CA -0.100 44.771 45.100 -0.381 0.000 0.632 67 G HN 0.488 nan 8.290 nan 0.000 0.511 68 F N 1.018 120.571 119.950 -0.661 0.000 2.412 68 F HA 0.654 5.184 4.527 0.006 0.000 0.348 68 F C 1.422 176.944 175.800 -0.463 0.000 1.102 68 F CA -1.047 56.482 58.000 -0.784 0.000 1.196 68 F CB 0.419 38.920 39.000 -0.831 0.000 1.144 68 F HN -0.080 nan 8.300 nan 0.000 0.541 69 F N -0.116 119.734 119.950 -0.168 0.000 2.325 69 F HA -0.098 4.433 4.527 0.006 0.000 0.299 69 F C 1.386 177.047 175.800 -0.232 0.000 1.090 69 F CA 0.389 58.215 58.000 -0.291 0.000 1.392 69 F CB -0.849 38.006 39.000 -0.242 0.000 1.053 69 F HN 0.385 nan 8.300 nan 0.000 0.521 70 Q N -0.915 118.907 119.800 0.036 0.000 2.475 70 Q HA -0.203 4.140 4.340 0.006 0.000 0.280 70 Q C 0.311 176.421 176.000 0.183 0.000 1.234 70 Q CA 0.832 56.670 55.803 0.059 0.000 0.873 70 Q CB -2.253 26.561 28.738 0.127 0.000 1.256 70 Q HN 0.419 nan 8.270 nan 0.000 0.475 71 A N -0.248 122.668 122.820 0.161 0.000 2.484 71 A HA 0.456 4.780 4.320 0.006 0.000 0.268 71 A C 1.552 179.224 177.584 0.148 0.000 1.114 71 A CA 1.184 53.323 52.037 0.171 0.000 0.780 71 A CB -0.032 19.046 19.000 0.129 0.000 1.061 71 A HN 1.179 nan 8.150 nan 0.000 0.505 72 G N 1.996 110.889 108.800 0.153 0.000 2.225 72 G HA2 -0.214 3.750 3.960 0.006 0.000 0.254 72 G HA3 -0.214 3.750 3.960 0.006 0.000 0.254 72 G C 0.547 175.527 174.900 0.134 0.000 0.988 72 G CA 1.069 46.249 45.100 0.134 0.000 0.625 72 G HN 2.108 nan 8.290 nan 0.000 0.527 73 T N -1.849 112.723 114.554 0.029 0.000 3.584 73 T HA 0.407 4.761 4.350 0.006 0.000 0.259 73 T C 0.966 175.393 174.700 -0.455 0.000 1.009 73 T CA 0.524 62.448 62.100 -0.292 0.000 1.103 73 T CB 0.419 69.091 68.868 -0.328 0.000 1.099 73 T HN 0.224 nan 8.240 nan 0.000 0.539 74 N N 1.851 120.426 118.700 -0.209 0.000 2.289 74 N HA -0.110 4.634 4.740 0.006 0.000 0.184 74 N C 1.666 177.016 175.510 -0.266 0.000 1.016 74 N CA 1.602 54.495 53.050 -0.262 0.000 0.872 74 N CB -0.079 38.161 38.487 -0.411 0.000 0.973 74 N HN 0.862 nan 8.380 nan 0.000 0.433 75 W N 0.234 121.410 121.300 -0.205 0.000 2.468 75 W HA 0.107 4.770 4.660 0.006 0.000 0.262 75 W C 1.093 177.688 176.519 0.127 0.000 1.241 75 W CA 0.587 57.761 57.345 -0.284 0.000 1.232 75 W CB -0.718 28.211 29.460 -0.885 0.000 1.124 75 W HN 0.051 nan 8.180 nan 0.000 0.597 76 A N 0.631 123.128 122.820 -0.538 0.000 2.387 76 A HA 0.043 4.366 4.320 0.006 0.000 0.234 76 A C 1.429 179.180 177.584 0.277 0.000 1.253 76 A CA 0.745 52.729 52.037 -0.089 0.000 0.894 76 A CB -0.646 17.963 19.000 -0.652 0.000 0.963 76 A HN 0.142 nan 8.150 nan 0.000 0.508 77 D N -0.558 119.944 120.400 0.170 0.000 2.178 77 D HA 0.094 4.738 4.640 0.006 0.000 0.202 77 D C 1.629 178.127 176.300 0.332 0.000 0.974 77 D CA 2.340 56.514 54.000 0.290 0.000 0.841 77 D CB 0.064 41.059 40.800 0.325 0.000 0.953 77 D HN 0.526 nan 8.370 nan 0.000 0.478 78 G N -1.126 107.833 108.800 0.265 0.000 2.376 78 G HA2 -0.211 3.753 3.960 0.006 0.000 0.208 78 G HA3 -0.211 3.753 3.960 0.006 0.000 0.208 78 G C -1.934 172.956 174.900 -0.015 0.000 1.032 78 G CA -0.203 44.994 45.100 0.161 0.000 0.641 78 G HN 0.303 nan 8.290 nan 0.000 0.503 79 P HA 0.424 nan 4.420 nan 0.000 0.258 79 P C 0.335 177.503 177.300 -0.219 0.000 1.187 79 P CA 0.961 63.806 63.100 -0.424 0.000 0.767 79 P CB 0.785 32.045 31.700 -0.732 0.000 0.770 80 A N 4.549 127.295 122.820 -0.123 0.000 2.524 80 A HA 0.243 4.567 4.320 0.006 0.000 0.250 80 A C 0.498 177.930 177.584 -0.255 0.000 1.078 80 A CA 0.097 51.920 52.037 -0.356 0.000 0.761 80 A CB -1.197 17.608 19.000 -0.326 0.000 1.012 80 A HN 0.697 nan 8.150 nan 0.000 0.500 81 F N -0.160 119.727 119.950 -0.105 0.000 2.794 81 F HA -0.281 4.249 4.527 0.006 0.000 0.335 81 F C 1.040 176.788 175.800 -0.087 0.000 0.653 81 F CA 0.717 58.669 58.000 -0.080 0.000 1.266 81 F CB -1.845 37.134 39.000 -0.035 0.000 1.666 81 F HN 0.328 nan 8.300 nan 0.000 0.314 82 V N -1.506 118.344 119.914 -0.106 0.000 2.950 82 V HA 0.069 4.193 4.120 0.006 0.000 0.231 82 V C 1.297 177.312 176.094 -0.132 0.000 1.205 82 V CA 1.636 63.802 62.300 -0.224 0.000 1.239 82 V CB 0.055 31.498 31.823 -0.633 0.000 1.050 82 V HN 0.253 nan 8.190 nan 0.000 0.498 83 N N 0.234 118.864 118.700 -0.117 0.000 2.250 83 N HA 0.184 4.928 4.740 0.006 0.000 0.190 83 N C 0.217 175.912 175.510 0.308 0.000 1.116 83 N CA -0.023 53.056 53.050 0.048 0.000 0.881 83 N CB 0.549 39.029 38.487 -0.011 0.000 1.006 83 N HN 0.739 nan 8.380 nan 0.000 0.491 84 Q N -1.581 118.270 119.800 0.086 0.000 2.702 84 Q HA 0.450 4.794 4.340 0.006 0.000 0.289 84 Q C -1.583 174.167 176.000 -0.417 0.000 0.923 84 Q CA -0.934 54.837 55.803 -0.052 0.000 0.787 84 Q CB 0.708 29.453 28.738 0.013 0.000 1.476 84 Q HN -0.110 nan 8.270 nan 0.000 0.402 85 c N 1.800 120.047 118.600 -0.589 0.000 2.520 85 c HA 0.564 5.138 4.570 0.006 0.000 0.376 85 c C -2.053 171.605 174.090 -0.721 0.000 1.268 85 c CA -0.743 55.134 56.329 -0.753 0.000 2.414 85 c CB 0.098 42.297 42.510 -0.519 0.000 2.521 85 c HN 0.647 nan 8.230 nan 0.000 0.618 86 P HA 0.182 nan 4.420 nan 0.000 0.269 86 P C -0.627 176.505 177.300 -0.281 0.000 1.215 86 P CA 0.185 62.977 63.100 -0.512 0.000 0.780 86 P CB 0.257 31.636 31.700 -0.535 0.000 0.898 87 I N 0.822 121.327 120.570 -0.109 0.000 2.575 87 I HA 0.291 4.465 4.170 0.006 0.000 0.285 87 I C 0.867 177.033 176.117 0.082 0.000 1.085 87 I CA -0.146 61.148 61.300 -0.010 0.000 1.403 87 I CB 0.573 38.655 38.000 0.137 0.000 1.409 87 I HN 0.308 nan 8.210 nan 0.000 0.557 88 A N 4.547 127.408 122.820 0.068 0.000 2.295 88 A HA 0.500 4.823 4.320 0.006 0.000 0.318 88 A C 0.026 177.756 177.584 0.243 0.000 1.134 88 A CA -0.466 51.649 52.037 0.130 0.000 0.827 88 A CB 1.163 20.151 19.000 -0.019 0.000 1.136 88 A HN 0.641 nan 8.150 nan 0.000 0.493 89 S N -0.076 115.762 115.700 0.229 0.000 2.549 89 S HA 0.414 4.888 4.470 0.006 0.000 0.286 89 S C 1.372 176.123 174.600 0.252 0.000 1.314 89 S CA 1.179 59.508 58.200 0.215 0.000 1.062 89 S CB -0.048 63.250 63.200 0.163 0.000 0.865 89 S HN 2.460 nan 8.310 nan 0.000 0.498 90 G N 3.465 112.363 108.800 0.164 0.000 2.176 90 G HA2 -0.155 3.808 3.960 0.006 0.000 0.253 90 G HA3 -0.155 3.808 3.960 0.006 0.000 0.253 90 G C 0.078 174.911 174.900 -0.112 0.000 0.979 90 G CA 0.298 45.417 45.100 0.031 0.000 0.641 90 G HN 0.826 nan 8.290 nan 0.000 0.530 91 H N -0.143 118.985 119.070 0.097 0.000 2.797 91 H HA 0.739 5.299 4.556 0.006 0.000 0.362 91 H C 0.110 175.522 175.328 0.139 0.000 1.183 91 H CA 0.125 56.236 56.048 0.105 0.000 1.197 91 H CB 2.068 31.889 29.762 0.098 0.000 1.835 91 H HN 0.526 nan 8.280 nan 0.000 0.567 92 S N 0.494 116.365 115.700 0.285 0.000 2.667 92 S HA 0.691 5.164 4.470 0.006 0.000 0.292 92 S C -1.294 173.517 174.600 0.353 0.000 1.126 92 S CA -0.780 57.583 58.200 0.272 0.000 0.881 92 S CB 2.584 65.898 63.200 0.189 0.000 1.132 92 S HN 0.465 nan 8.310 nan 0.000 0.492 93 F N 0.808 120.851 119.950 0.154 0.000 2.623 93 F HA 0.589 5.119 4.527 0.006 0.000 0.323 93 F C -1.983 173.889 175.800 0.120 0.000 1.158 93 F CA -1.067 56.991 58.000 0.096 0.000 1.030 93 F CB 1.556 40.578 39.000 0.038 0.000 1.280 93 F HN 0.739 nan 8.300 nan 0.000 0.474 94 L N 7.310 128.165 121.223 -0.613 0.000 2.260 94 L HA 0.474 4.818 4.340 0.006 0.000 0.289 94 L C -1.624 174.901 176.870 -0.576 0.000 1.057 94 L CA -0.186 54.413 54.840 -0.402 0.000 0.811 94 L CB 0.168 42.101 42.059 -0.211 0.000 1.184 94 L HN 0.533 nan 8.230 nan 0.000 0.429 95 Y N 3.697 123.922 120.300 -0.126 0.000 2.365 95 Y HA 0.395 4.949 4.550 0.006 0.000 0.340 95 Y C 0.027 175.911 175.900 -0.026 0.000 1.016 95 Y CA -0.202 57.939 58.100 0.068 0.000 1.196 95 Y CB 0.883 39.501 38.460 0.262 0.000 1.167 95 Y HN 0.534 nan 8.280 nan 0.000 0.509 96 D N 5.453 125.981 120.400 0.214 0.000 2.542 96 D HA 0.345 4.989 4.640 0.006 0.000 0.252 96 D C -1.365 174.966 176.300 0.050 0.000 1.222 96 D CA -0.347 53.667 54.000 0.024 0.000 0.895 96 D CB 0.441 41.318 40.800 0.128 0.000 1.207 96 D HN 0.295 nan 8.370 nan 0.000 0.558 97 F N 0.471 120.294 119.950 -0.212 0.000 2.685 97 F HA 0.562 5.092 4.527 0.006 0.000 0.315 97 F C -0.938 174.696 175.800 -0.276 0.000 1.126 97 F CA -0.963 56.913 58.000 -0.206 0.000 0.950 97 F CB 1.290 40.119 39.000 -0.286 0.000 1.360 97 F HN 0.102 nan 8.300 nan 0.000 0.469 98 H N -0.108 119.035 119.070 0.122 0.000 2.616 98 H HA 0.727 5.287 4.556 0.006 0.000 0.353 98 H C -1.184 174.204 175.328 0.099 0.000 1.170 98 H CA -0.977 55.102 56.048 0.053 0.000 1.212 98 H CB 2.720 32.499 29.762 0.028 0.000 1.653 98 H HN 0.534 nan 8.280 nan 0.000 0.537 99 V N 3.986 124.006 119.914 0.178 0.000 2.383 99 V HA 0.095 4.219 4.120 0.006 0.000 0.261 99 V C -1.714 174.437 176.094 0.094 0.000 0.987 99 V CA -0.937 61.396 62.300 0.055 0.000 0.853 99 V CB 1.365 33.140 31.823 -0.081 0.000 1.095 99 V HN 0.657 nan 8.190 nan 0.000 0.461 100 P HA 0.019 nan 4.420 nan 0.000 0.224 100 P C 0.333 177.678 177.300 0.076 0.000 1.157 100 P CA 0.965 64.114 63.100 0.082 0.000 0.799 100 P CB 0.463 32.201 31.700 0.063 0.000 0.809 101 D N -1.835 118.615 120.400 0.082 0.000 2.599 101 D HA 0.139 4.783 4.640 0.006 0.000 0.249 101 D C 0.151 176.503 176.300 0.087 0.000 1.313 101 D CA -0.230 53.826 54.000 0.095 0.000 0.815 101 D CB -0.166 40.714 40.800 0.134 0.000 1.077 101 D HN 0.151 nan 8.370 nan 0.000 0.492 102 Q N -0.121 119.712 119.800 0.056 0.000 2.421 102 Q HA 0.827 5.171 4.340 0.006 0.000 0.280 102 Q C -1.464 174.630 176.000 0.157 0.000 1.085 102 Q CA -1.241 54.596 55.803 0.056 0.000 0.807 102 Q CB 3.012 31.672 28.738 -0.129 0.000 1.405 102 Q HN 0.209 nan 8.270 nan 0.000 0.419 103 A N 0.400 123.362 122.820 0.237 0.000 2.577 103 A HA 0.928 5.251 4.320 0.006 0.000 0.297 103 A C -0.600 177.130 177.584 0.243 0.000 1.060 103 A CA 0.195 52.395 52.037 0.272 0.000 0.697 103 A CB 1.737 20.846 19.000 0.181 0.000 1.281 103 A HN 0.923 nan 8.150 nan 0.000 0.402 104 G N -0.364 108.549 108.800 0.188 0.000 2.332 104 G HA2 0.508 4.472 3.960 0.006 0.000 0.265 104 G HA3 0.508 4.472 3.960 0.006 0.000 0.265 104 G C -0.797 173.882 174.900 -0.368 0.000 1.329 104 G CA 0.133 45.143 45.100 -0.149 0.000 0.949 104 G HN 1.266 nan 8.290 nan 0.000 0.476 105 T N 1.313 115.447 114.554 -0.701 0.000 2.756 105 T HA 0.718 5.072 4.350 0.006 0.000 0.290 105 T C -0.798 173.374 174.700 -0.881 0.000 0.985 105 T CA 0.119 61.888 62.100 -0.552 0.000 0.955 105 T CB 0.652 69.302 68.868 -0.364 0.000 0.930 105 T HN 0.392 nan 8.240 nan 0.000 0.451 106 F N 1.493 121.404 119.950 -0.065 0.000 2.835 106 F HA 0.842 5.372 4.527 0.006 0.000 0.373 106 F C -0.531 175.393 175.800 0.207 0.000 1.209 106 F CA -0.891 57.051 58.000 -0.096 0.000 1.082 106 F CB 1.474 40.152 39.000 -0.537 0.000 1.472 106 F HN 0.595 nan 8.300 nan 0.000 0.519 107 W N 0.164 121.539 121.300 0.125 0.000 2.937 107 W HA 0.557 5.221 4.660 0.007 0.000 0.360 107 W C -2.543 174.135 176.519 0.266 0.000 1.215 107 W CA -1.844 55.603 57.345 0.170 0.000 1.183 107 W CB 0.386 29.806 29.460 -0.066 0.000 1.458 107 W HN 0.636 nan 8.180 nan 0.000 0.574 108 Y N 0.229 120.615 120.300 0.143 0.000 2.553 108 Y HA 0.788 5.342 4.550 0.006 0.000 0.347 108 Y C -0.965 174.771 175.900 -0.273 0.000 1.019 108 Y CA -1.242 56.702 58.100 -0.260 0.000 1.032 108 Y CB 1.813 40.276 38.460 0.004 0.000 1.284 108 Y HN 0.763 nan 8.280 nan 0.000 0.466 109 H N -1.221 117.564 119.070 -0.475 0.000 3.037 109 H HA 0.502 5.062 4.556 0.006 0.000 0.336 109 H C -1.235 173.966 175.328 -0.211 0.000 1.323 109 H CA -1.002 54.798 56.048 -0.413 0.000 1.159 109 H CB 0.991 30.221 29.762 -0.887 0.000 1.882 109 H HN 0.787 nan 8.280 nan 0.000 0.535 110 S N 0.228 116.017 115.700 0.147 0.000 2.558 110 S HA -0.004 4.470 4.470 0.006 0.000 0.288 110 S C -0.096 174.671 174.600 0.278 0.000 1.318 110 S CA -0.166 58.140 58.200 0.176 0.000 1.056 110 S CB -0.053 63.280 63.200 0.222 0.000 0.853 110 S HN 0.821 nan 8.310 nan 0.000 0.505 111 H N 3.803 122.950 119.070 0.129 0.000 2.587 111 H HA 0.383 4.943 4.556 0.006 0.000 0.245 111 H C -1.066 174.322 175.328 0.100 0.000 1.238 111 H CA -0.376 55.761 56.048 0.148 0.000 0.963 111 H CB 0.207 30.009 29.762 0.067 0.000 1.904 111 H HN 0.476 nan 8.280 nan 0.000 0.584 112 L N 0.843 122.186 121.223 0.200 0.000 2.343 112 L HA 0.348 4.691 4.340 0.006 0.000 0.278 112 L C 0.697 177.642 176.870 0.126 0.000 0.996 112 L CA 0.390 55.323 54.840 0.155 0.000 0.831 112 L CB 1.257 43.380 42.059 0.107 0.000 1.232 112 L HN 0.282 nan 8.230 nan 0.000 0.413 113 S N 3.115 118.895 115.700 0.134 0.000 3.917 113 S HA -0.321 4.153 4.470 0.006 0.000 0.601 113 S C 0.987 175.567 174.600 -0.034 0.000 2.206 113 S CA 2.081 60.321 58.200 0.067 0.000 4.167 113 S CB -1.398 61.847 63.200 0.074 0.000 0.372 113 S HN 1.375 nan 8.310 nan 0.000 0.766 114 T N 0.027 114.530 114.554 -0.086 0.000 3.223 114 T HA 0.376 4.730 4.350 0.006 0.000 0.259 114 T C 1.257 175.844 174.700 -0.188 0.000 1.015 114 T CA 0.855 62.810 62.100 -0.241 0.000 0.908 114 T CB 0.360 69.070 68.868 -0.263 0.000 1.054 114 T HN 0.613 nan 8.240 nan 0.000 0.567 115 Q N 0.836 120.610 119.800 -0.044 0.000 2.181 115 Q HA -0.208 4.136 4.340 0.006 0.000 0.205 115 Q C 1.908 177.967 176.000 0.098 0.000 0.980 115 Q CA 1.748 57.572 55.803 0.034 0.000 0.862 115 Q CB -0.364 28.430 28.738 0.094 0.000 0.905 115 Q HN 0.909 nan 8.270 nan 0.000 0.429 116 Y N -1.143 119.176 120.300 0.033 0.000 2.274 116 Y HA -0.180 4.374 4.550 0.006 0.000 0.290 116 Y C 1.989 177.965 175.900 0.126 0.000 1.145 116 Y CA 0.965 59.125 58.100 0.101 0.000 1.203 116 Y CB -1.085 37.439 38.460 0.106 0.000 0.984 116 Y HN 0.154 nan 8.280 nan 0.000 0.533 117 c N 1.050 119.536 118.600 -0.191 0.000 2.422 117 c HA -0.152 4.422 4.570 0.006 0.000 0.279 117 c C 1.978 176.094 174.090 0.043 0.000 1.305 117 c CA 1.071 57.339 56.329 -0.103 0.000 1.757 117 c CB -0.977 41.332 42.510 -0.334 0.000 1.962 117 c HN 0.568 nan 8.230 nan 0.000 0.499 118 D N -0.208 120.204 120.400 0.021 0.000 2.363 118 D HA 0.154 4.798 4.640 0.006 0.000 0.226 118 D C 1.781 178.168 176.300 0.144 0.000 1.020 118 D CA 1.365 55.374 54.000 0.015 0.000 0.892 118 D CB 0.013 40.817 40.800 0.007 0.000 0.900 118 D HN 0.690 nan 8.370 nan 0.000 0.531 119 G N 0.091 109.067 108.800 0.294 0.000 2.977 119 G HA2 -0.170 3.794 3.960 0.006 0.000 0.211 119 G HA3 -0.170 3.794 3.960 0.006 0.000 0.211 119 G C 0.221 175.425 174.900 0.507 0.000 0.994 119 G CA -0.512 44.824 45.100 0.394 0.000 0.795 119 G HN 0.289 nan 8.290 nan 0.000 0.518 120 L N 2.696 124.145 121.223 0.376 0.000 2.387 120 L HA 0.615 4.959 4.340 0.006 0.000 0.267 120 L C 0.302 177.325 176.870 0.255 0.000 1.197 120 L CA -0.475 54.544 54.840 0.299 0.000 1.070 120 L CB -0.366 41.841 42.059 0.247 0.000 1.349 120 L HN 0.402 nan 8.230 nan 0.000 0.422 121 R N 2.183 122.798 120.500 0.191 0.000 2.536 121 R HA 0.803 5.147 4.340 0.006 0.000 0.269 121 R C -0.916 175.312 176.300 -0.120 0.000 1.113 121 R CA -0.942 55.213 56.100 0.092 0.000 0.948 121 R CB 1.280 31.816 30.300 0.393 0.000 1.237 121 R HN 0.330 nan 8.270 nan 0.000 0.441 122 G N 1.700 110.266 108.800 -0.391 0.000 2.623 122 G HA2 0.662 4.625 3.960 0.006 0.000 0.290 122 G HA3 0.662 4.625 3.960 0.006 0.000 0.290 122 G C -3.185 171.688 174.900 -0.044 0.000 1.437 122 G CA -1.423 43.498 45.100 -0.298 0.000 0.798 122 G HN 0.374 nan 8.290 nan 0.000 0.488 123 P HA 0.602 nan 4.420 nan 0.000 0.279 123 P C -1.555 176.049 177.300 0.507 0.000 1.252 123 P CA -0.513 62.749 63.100 0.271 0.000 0.811 123 P CB 1.586 33.349 31.700 0.105 0.000 1.035 124 F N 1.362 121.505 119.950 0.323 0.000 2.653 124 F HA 0.366 4.897 4.527 0.006 0.000 0.327 124 F C -1.682 174.265 175.800 0.244 0.000 1.195 124 F CA -1.075 57.125 58.000 0.334 0.000 0.993 124 F CB 1.257 40.533 39.000 0.460 0.000 1.259 124 F HN -0.044 nan 8.300 nan 0.000 0.478 125 V N 6.297 126.489 119.914 0.462 0.000 2.448 125 V HA 0.548 4.672 4.120 0.006 0.000 0.295 125 V C -0.830 175.356 176.094 0.154 0.000 1.025 125 V CA -0.862 61.532 62.300 0.156 0.000 0.859 125 V CB 1.858 33.556 31.823 -0.207 0.000 0.988 125 V HN 0.494 nan 8.190 nan 0.000 0.431 126 V N 5.773 125.807 119.914 0.201 0.000 2.313 126 V HA 0.398 4.522 4.120 0.006 0.000 0.278 126 V C -0.582 175.544 176.094 0.052 0.000 1.017 126 V CA -0.724 61.728 62.300 0.255 0.000 0.823 126 V CB 0.737 32.800 31.823 0.401 0.000 1.010 126 V HN 0.718 nan 8.190 nan 0.000 0.443 127 Y N 2.219 122.651 120.300 0.221 0.000 2.336 127 Y HA 0.318 4.871 4.550 0.006 0.000 0.331 127 Y C 0.675 176.657 175.900 0.136 0.000 1.211 127 Y CA 0.002 58.192 58.100 0.150 0.000 1.346 127 Y CB 0.715 39.240 38.460 0.109 0.000 1.271 127 Y HN 0.530 nan 8.280 nan 0.000 0.538 128 D N 3.218 123.787 120.400 0.282 0.000 2.414 128 D HA 0.276 4.920 4.640 0.006 0.000 0.232 128 D C -2.080 174.315 176.300 0.158 0.000 1.070 128 D CA -2.592 51.520 54.000 0.186 0.000 0.839 128 D CB 1.708 42.598 40.800 0.150 0.000 1.079 128 D HN 0.175 nan 8.370 nan 0.000 0.521 129 P HA -0.087 nan 4.420 nan 0.000 0.219 129 P C 0.013 177.344 177.300 0.052 0.000 1.146 129 P CA 1.148 64.291 63.100 0.072 0.000 0.808 129 P CB 0.258 31.988 31.700 0.050 0.000 0.779 130 K N -0.457 119.975 120.400 0.053 0.000 3.010 130 K HA 0.112 4.436 4.320 0.006 0.000 0.211 130 K C -0.173 176.449 176.600 0.035 0.000 1.146 130 K CA -0.402 55.904 56.287 0.031 0.000 1.070 130 K CB 0.135 32.647 32.500 0.021 0.000 0.908 130 K HN 0.054 nan 8.250 nan 0.000 0.463 131 D N 3.000 123.438 120.400 0.064 0.000 2.520 131 D HA -0.028 4.616 4.640 0.006 0.000 0.243 131 D C -1.266 175.049 176.300 0.024 0.000 1.160 131 D CA -1.088 52.960 54.000 0.080 0.000 0.877 131 D CB 1.247 42.147 40.800 0.167 0.000 1.150 131 D HN 0.089 nan 8.370 nan 0.000 0.494 132 P HA -0.112 nan 4.420 nan 0.000 0.225 132 P C 0.659 177.887 177.300 -0.120 0.000 1.148 132 P CA 0.961 63.995 63.100 -0.111 0.000 0.779 132 P CB 0.268 31.853 31.700 -0.193 0.000 0.780 133 H N -1.172 117.927 119.070 0.049 0.000 2.551 133 H HA 0.377 4.937 4.556 0.006 0.000 0.271 133 H C 1.858 177.124 175.328 -0.103 0.000 0.984 133 H CA 0.261 56.341 56.048 0.053 0.000 1.164 133 H CB -0.128 29.741 29.762 0.178 0.000 1.437 133 H HN 0.050 nan 8.280 nan 0.000 0.550 134 A N 0.978 123.746 122.820 -0.086 0.000 1.986 134 A HA -0.212 4.112 4.320 0.006 0.000 0.220 134 A C 2.512 179.766 177.584 -0.550 0.000 1.171 134 A CA 1.988 53.767 52.037 -0.430 0.000 0.640 134 A CB -0.495 18.393 19.000 -0.185 0.000 0.811 134 A HN 0.456 nan 8.150 nan 0.000 0.451 135 S N -0.761 114.775 115.700 -0.273 0.000 2.555 135 S HA -0.037 4.437 4.470 0.006 0.000 0.230 135 S C 1.610 176.090 174.600 -0.200 0.000 0.978 135 S CA 0.721 58.797 58.200 -0.207 0.000 0.934 135 S CB -0.342 62.798 63.200 -0.100 0.000 0.766 135 S HN 0.632 nan 8.310 nan 0.000 0.533 136 R N 0.285 120.654 120.500 -0.217 0.000 2.299 136 R HA 0.204 4.548 4.340 0.006 0.000 0.197 136 R C -0.446 175.841 176.300 -0.021 0.000 0.971 136 R CA 0.348 56.411 56.100 -0.062 0.000 1.030 136 R CB -0.020 30.331 30.300 0.086 0.000 0.932 136 R HN 0.772 nan 8.270 nan 0.000 0.477 137 Y N -4.164 116.106 120.300 -0.049 0.000 2.638 137 Y HA 0.380 4.934 4.550 0.006 0.000 0.335 137 Y C -0.234 175.583 175.900 -0.138 0.000 1.155 137 Y CA -1.530 56.506 58.100 -0.107 0.000 1.046 137 Y CB 0.803 39.185 38.460 -0.129 0.000 1.303 137 Y HN -0.306 nan 8.280 nan 0.000 0.460 138 D N 0.491 120.880 120.400 -0.019 0.000 2.323 138 D HA 0.147 4.791 4.640 0.006 0.000 0.218 138 D C -0.258 175.983 176.300 -0.097 0.000 0.973 138 D CA 0.974 54.909 54.000 -0.108 0.000 0.890 138 D CB 1.106 41.782 40.800 -0.206 0.000 1.011 138 D HN 0.260 nan 8.370 nan 0.000 0.499 139 V N 1.321 121.111 119.914 -0.207 0.000 2.540 139 V HA 0.398 4.522 4.120 0.006 0.000 0.302 139 V C -1.005 174.976 176.094 -0.188 0.000 1.035 139 V CA -0.737 61.425 62.300 -0.230 0.000 0.873 139 V CB 2.284 33.823 31.823 -0.474 0.000 0.992 139 V HN -0.078 nan 8.190 nan 0.000 0.428 140 D N 3.613 123.947 120.400 -0.110 0.000 2.319 140 D HA 0.421 5.065 4.640 0.006 0.000 0.237 140 D C -0.766 175.514 176.300 -0.034 0.000 1.353 140 D CA -0.252 53.673 54.000 -0.125 0.000 0.992 140 D CB 0.910 41.648 40.800 -0.102 0.000 1.368 140 D HN 0.721 nan 8.370 nan 0.000 0.564 141 N N 0.803 119.492 118.700 -0.018 0.000 3.439 141 N HA 0.189 4.932 4.740 0.006 0.000 0.313 141 N C 0.760 176.312 175.510 0.070 0.000 1.598 141 N CA -0.691 52.376 53.050 0.028 0.000 0.830 141 N CB 0.340 38.814 38.487 -0.022 0.000 1.849 141 N HN 0.077 nan 8.380 nan 0.000 0.598 142 E N -0.418 119.824 120.200 0.071 0.000 2.160 142 E HA -0.195 4.159 4.350 0.006 0.000 0.195 142 E C 0.896 177.522 176.600 0.044 0.000 0.991 142 E CA 1.841 58.281 56.400 0.067 0.000 0.810 142 E CB -0.115 29.618 29.700 0.055 0.000 0.742 142 E HN 0.585 nan 8.360 nan 0.000 0.466 143 S N -0.793 114.929 115.700 0.035 0.000 2.561 143 S HA -0.063 4.411 4.470 0.006 0.000 0.225 143 S C 1.679 176.321 174.600 0.071 0.000 0.977 143 S CA 0.964 59.189 58.200 0.043 0.000 0.926 143 S CB -0.129 63.095 63.200 0.040 0.000 0.769 143 S HN 0.335 nan 8.310 nan 0.000 0.533 144 T N -0.904 113.668 114.554 0.029 0.000 3.105 144 T HA 0.400 4.754 4.350 0.006 0.000 0.253 144 T C 0.191 174.946 174.700 0.091 0.000 1.047 144 T CA -0.370 61.734 62.100 0.008 0.000 0.944 144 T CB -0.102 68.544 68.868 -0.369 0.000 1.016 144 T HN 0.127 nan 8.240 nan 0.000 0.544 145 V N 2.405 122.348 119.914 0.050 0.000 2.498 145 V HA 0.446 4.570 4.120 0.006 0.000 0.279 145 V C 0.015 176.107 176.094 -0.004 0.000 1.048 145 V CA -0.727 61.576 62.300 0.005 0.000 0.967 145 V CB 0.923 32.745 31.823 -0.001 0.000 0.988 145 V HN 0.478 nan 8.190 nan 0.000 0.473 146 I N 4.777 125.314 120.570 -0.056 0.000 2.382 146 I HA 0.390 4.563 4.170 0.006 0.000 0.286 146 I C 0.292 176.312 176.117 -0.161 0.000 1.002 146 I CA -0.280 60.962 61.300 -0.097 0.000 1.135 146 I CB 2.103 40.031 38.000 -0.120 0.000 1.288 146 I HN 0.695 nan 8.210 nan 0.000 0.448 147 T N 4.882 119.338 114.554 -0.165 0.000 2.867 147 T HA 0.712 5.066 4.350 0.006 0.000 0.282 147 T C -0.483 174.077 174.700 -0.232 0.000 1.000 147 T CA -0.789 61.180 62.100 -0.218 0.000 1.042 147 T CB 1.593 70.332 68.868 -0.215 0.000 0.973 147 T HN 0.317 nan 8.240 nan 0.000 0.465 148 L N 2.605 123.658 121.223 -0.283 0.000 2.305 148 L HA 0.536 4.879 4.340 0.006 0.000 0.284 148 L C -0.129 176.594 176.870 -0.245 0.000 1.013 148 L CA -0.702 53.932 54.840 -0.343 0.000 0.819 148 L CB 1.896 43.665 42.059 -0.484 0.000 1.227 148 L HN 0.807 nan 8.230 nan 0.000 0.417 149 T N 0.792 115.252 114.554 -0.157 0.000 2.848 149 T HA 0.283 4.637 4.350 0.006 0.000 0.285 149 T C -0.877 173.915 174.700 0.153 0.000 0.995 149 T CA -0.773 61.358 62.100 0.052 0.000 0.970 149 T CB 1.575 70.510 68.868 0.112 0.000 0.976 149 T HN 0.534 nan 8.240 nan 0.000 0.441 150 D N 1.922 122.473 120.400 0.252 0.000 2.295 150 D HA 0.093 4.737 4.640 0.006 0.000 0.248 150 D C -0.621 175.761 176.300 0.137 0.000 1.154 150 D CA -0.628 53.458 54.000 0.144 0.000 0.857 150 D CB 1.081 41.954 40.800 0.121 0.000 1.117 150 D HN 0.505 nan 8.370 nan 0.000 0.468 151 W N 3.710 124.847 121.300 -0.272 0.000 2.587 151 W HA 0.383 5.047 4.660 0.006 0.000 0.324 151 W C -1.719 174.509 176.519 -0.486 0.000 1.040 151 W CA -0.946 56.286 57.345 -0.189 0.000 1.222 151 W CB 1.471 30.938 29.460 0.012 0.000 1.381 151 W HN 0.307 nan 8.180 nan 0.000 0.483 152 Y N 3.122 123.014 120.300 -0.679 0.000 2.377 152 Y HA 0.208 4.762 4.550 0.007 0.000 0.339 152 Y C 1.233 176.789 175.900 -0.573 0.000 1.011 152 Y CA -0.545 57.226 58.100 -0.549 0.000 1.093 152 Y CB 1.567 39.798 38.460 -0.382 0.000 1.201 152 Y HN 0.454 nan 8.280 nan 0.000 0.455 153 H N 0.160 119.026 119.070 -0.340 0.000 2.535 153 H HA 0.082 4.641 4.556 0.006 0.000 0.273 153 H C -0.151 175.088 175.328 -0.149 0.000 0.983 153 H CA 0.353 56.180 56.048 -0.368 0.000 1.238 153 H CB 0.569 29.858 29.762 -0.789 0.000 1.412 153 H HN 0.478 nan 8.280 nan 0.000 0.562 154 T N 1.096 115.644 114.554 -0.011 0.000 2.797 154 T HA 0.475 4.829 4.350 0.006 0.000 0.279 154 T C 0.015 174.671 174.700 -0.074 0.000 0.991 154 T CA -0.709 61.383 62.100 -0.015 0.000 0.979 154 T CB 1.739 70.591 68.868 -0.027 0.000 0.943 154 T HN 0.276 nan 8.240 nan 0.000 0.444 155 A N 2.203 124.985 122.820 -0.063 0.000 2.555 155 A HA 0.509 4.833 4.320 0.006 0.000 0.233 155 A C 1.774 179.294 177.584 -0.107 0.000 1.060 155 A CA 0.200 52.183 52.037 -0.090 0.000 0.759 155 A CB -0.312 18.659 19.000 -0.049 0.000 0.995 155 A HN 1.099 nan 8.150 nan 0.000 0.506 156 A N 1.882 124.633 122.820 -0.115 0.000 1.917 156 A HA -0.185 4.139 4.320 0.006 0.000 0.219 156 A C 2.049 179.598 177.584 -0.058 0.000 1.182 156 A CA 1.866 53.853 52.037 -0.083 0.000 0.633 156 A CB -0.373 18.582 19.000 -0.075 0.000 0.819 156 A HN 0.844 nan 8.150 nan 0.000 0.448 157 R N -0.919 119.544 120.500 -0.061 0.000 2.310 157 R HA 0.296 4.640 4.340 0.006 0.000 0.202 157 R C 1.155 177.420 176.300 -0.059 0.000 0.933 157 R CA 0.271 56.337 56.100 -0.057 0.000 1.054 157 R CB -0.094 30.168 30.300 -0.064 0.000 0.985 157 R HN 0.475 nan 8.270 nan 0.000 0.489 158 L N -0.719 120.468 121.223 -0.060 0.000 2.556 158 L HA 0.223 4.567 4.340 0.006 0.000 0.226 158 L C 1.352 178.184 176.870 -0.062 0.000 1.089 158 L CA -0.184 54.626 54.840 -0.049 0.000 0.864 158 L CB 0.210 42.250 42.059 -0.031 0.000 1.067 158 L HN 0.131 nan 8.230 nan 0.000 0.477 159 G N 0.184 108.929 108.800 -0.092 0.000 2.531 159 G HA2 0.405 4.368 3.960 0.006 0.000 0.281 159 G HA3 0.405 4.368 3.960 0.006 0.000 0.281 159 G C -2.311 172.506 174.900 -0.138 0.000 1.382 159 G CA -0.669 44.361 45.100 -0.116 0.000 1.045 159 G HN -0.106 nan 8.290 nan 0.000 0.533 160 P HA 0.158 nan 4.420 nan 0.000 0.272 160 P C 0.579 177.723 177.300 -0.260 0.000 1.230 160 P CA -0.450 62.551 63.100 -0.165 0.000 0.788 160 P CB 1.332 32.957 31.700 -0.124 0.000 0.949 161 R N 0.717 121.039 120.500 -0.297 0.000 2.092 161 R HA -0.014 4.329 4.340 0.006 0.000 0.231 161 R C 0.018 175.882 176.300 -0.726 0.000 1.119 161 R CA 1.132 56.919 56.100 -0.522 0.000 0.970 161 R CB -0.170 29.739 30.300 -0.650 0.000 0.864 161 R HN 0.455 nan 8.270 nan 0.000 0.440 162 F N 1.687 121.580 119.950 -0.096 0.000 2.564 162 F HA 0.422 4.952 4.527 0.006 0.000 0.368 162 F C -2.132 173.535 175.800 -0.221 0.000 1.127 162 F CA -2.618 55.308 58.000 -0.124 0.000 1.170 162 F CB 1.460 40.499 39.000 0.066 0.000 1.397 162 F HN -0.083 nan 8.300 nan 0.000 0.493 163 P HA 0.028 nan 4.420 nan 0.000 0.266 163 P C 0.271 177.612 177.300 0.068 0.000 1.193 163 P CA 0.035 63.003 63.100 -0.220 0.000 0.770 163 P CB 0.915 32.342 31.700 -0.455 0.000 0.836 164 L N 1.723 123.015 121.223 0.115 0.000 2.851 164 L HA 0.437 4.781 4.340 0.006 0.000 0.237 164 L C 0.954 178.020 176.870 0.326 0.000 1.257 164 L CA 0.033 55.012 54.840 0.231 0.000 1.061 164 L CB -0.883 41.243 42.059 0.113 0.000 1.372 164 L HN 0.684 nan 8.230 nan 0.000 0.493 165 G N -0.482 108.476 108.800 0.263 0.000 2.375 165 G HA2 0.252 4.216 3.960 0.006 0.000 0.663 165 G HA3 0.252 4.216 3.960 0.006 0.000 0.663 165 G C -1.042 173.773 174.900 -0.142 0.000 1.391 165 G CA -0.495 44.493 45.100 -0.187 0.000 0.949 165 G HN 0.215 nan 8.290 nan 0.000 0.646 166 A N -0.362 122.227 122.820 -0.385 0.000 2.252 166 A HA 0.745 5.069 4.320 0.006 0.000 0.305 166 A C 1.016 178.318 177.584 -0.470 0.000 1.097 166 A CA 0.416 52.057 52.037 -0.661 0.000 0.849 166 A CB 0.611 19.151 19.000 -0.766 0.000 1.142 166 A HN 0.633 nan 8.150 nan 0.000 0.499 167 D N -0.299 119.765 120.400 -0.560 0.000 2.249 167 D HA 0.285 4.929 4.640 0.006 0.000 0.205 167 D C 0.583 176.674 176.300 -0.348 0.000 0.962 167 D CA 1.728 55.404 54.000 -0.540 0.000 0.860 167 D CB 0.326 40.469 40.800 -1.094 0.000 0.955 167 D HN 0.676 nan 8.370 nan 0.000 0.505 168 A N -0.399 122.281 122.820 -0.234 0.000 2.606 168 A HA 0.535 4.859 4.320 0.006 0.000 0.293 168 A C -0.861 176.712 177.584 -0.018 0.000 1.082 168 A CA -0.555 51.444 52.037 -0.063 0.000 0.685 168 A CB 1.639 20.688 19.000 0.082 0.000 1.284 168 A HN -0.119 nan 8.150 nan 0.000 0.408 169 T N 1.978 116.529 114.554 -0.004 0.000 2.767 169 T HA 0.575 4.929 4.350 0.006 0.000 0.284 169 T C -0.455 174.231 174.700 -0.024 0.000 0.973 169 T CA -0.021 62.074 62.100 -0.008 0.000 0.996 169 T CB 0.092 68.945 68.868 -0.024 0.000 0.927 169 T HN 0.423 nan 8.240 nan 0.000 0.456 170 L N 4.389 125.593 121.223 -0.031 0.000 2.307 170 L HA 0.624 4.968 4.340 0.006 0.000 0.284 170 L C -0.324 176.478 176.870 -0.113 0.000 1.023 170 L CA -0.890 53.920 54.840 -0.050 0.000 0.810 170 L CB 1.426 43.462 42.059 -0.039 0.000 1.231 170 L HN 0.480 nan 8.230 nan 0.000 0.423 171 I N 3.668 124.182 120.570 -0.094 0.000 2.389 171 I HA 0.277 4.450 4.170 0.006 0.000 0.288 171 I C -0.227 175.832 176.117 -0.096 0.000 0.999 171 I CA -0.567 60.673 61.300 -0.099 0.000 1.129 171 I CB 1.437 39.405 38.000 -0.052 0.000 1.288 171 I HN 0.675 nan 8.210 nan 0.000 0.444 172 N N 4.965 123.592 118.700 -0.121 0.000 2.721 172 N HA -0.198 4.546 4.740 0.006 0.000 0.249 172 N C 0.888 176.312 175.510 -0.142 0.000 1.072 172 N CA 1.391 54.369 53.050 -0.120 0.000 0.710 172 N CB -1.041 37.400 38.487 -0.078 0.000 0.993 172 N HN 1.141 nan 8.380 nan 0.000 0.547 173 G N -2.104 106.581 108.800 -0.192 0.000 2.162 173 G HA2 -0.300 3.663 3.960 0.006 0.000 0.260 173 G HA3 -0.300 3.663 3.960 0.006 0.000 0.260 173 G C -0.112 174.706 174.900 -0.137 0.000 0.976 173 G CA 0.680 45.640 45.100 -0.235 0.000 0.655 173 G HN 0.471 nan 8.290 nan 0.000 0.533 174 L N -0.859 120.311 121.223 -0.089 0.000 2.388 174 L HA 0.853 5.197 4.340 0.006 0.000 0.264 174 L C 0.505 177.363 176.870 -0.020 0.000 0.998 174 L CA -0.446 54.367 54.840 -0.045 0.000 0.817 174 L CB 2.327 44.370 42.059 -0.026 0.000 1.338 174 L HN 0.529 nan 8.230 nan 0.000 0.414 175 G N 1.228 110.033 108.800 0.008 0.000 2.441 175 G HA2 0.458 4.421 3.960 0.006 0.000 0.294 175 G HA3 0.458 4.421 3.960 0.006 0.000 0.294 175 G C -1.992 172.941 174.900 0.055 0.000 1.393 175 G CA -0.877 44.240 45.100 0.028 0.000 0.796 175 G HN 0.406 nan 8.290 nan 0.000 0.494 176 R N -0.296 120.237 120.500 0.054 0.000 2.604 176 R HA 0.721 5.065 4.340 0.006 0.000 0.287 176 R C 0.205 176.540 176.300 0.057 0.000 0.970 176 R CA -0.484 55.655 56.100 0.065 0.000 0.946 176 R CB 1.910 32.241 30.300 0.052 0.000 1.127 176 R HN 0.743 nan 8.270 nan 0.000 0.473 177 S N 0.155 115.906 115.700 0.086 0.000 2.718 177 S HA 0.460 4.934 4.470 0.006 0.000 0.300 177 S C 0.590 175.212 174.600 0.037 0.000 1.117 177 S CA -0.712 57.521 58.200 0.056 0.000 1.002 177 S CB 1.868 65.148 63.200 0.133 0.000 1.092 177 S HN 0.670 nan 8.310 nan 0.000 0.542 178 A N 0.418 123.236 122.820 -0.003 0.000 2.261 178 A HA 0.281 4.605 4.320 0.006 0.000 0.208 178 A C 1.523 179.124 177.584 0.029 0.000 1.223 178 A CA 0.578 52.614 52.037 -0.002 0.000 0.833 178 A CB -1.147 17.832 19.000 -0.035 0.000 0.830 178 A HN 1.252 nan 8.150 nan 0.000 0.483 179 S N -2.120 113.623 115.700 0.071 0.000 2.733 179 S HA 0.085 4.559 4.470 0.006 0.000 0.247 179 S C 0.566 175.240 174.600 0.122 0.000 1.043 179 S CA 0.631 58.891 58.200 0.099 0.000 1.066 179 S CB -0.286 62.992 63.200 0.131 0.000 1.045 179 S HN 0.640 nan 8.310 nan 0.000 0.586 180 T N -0.101 114.524 114.554 0.119 0.000 3.732 180 T HA 0.445 4.798 4.350 0.006 0.000 0.234 180 T C -2.091 172.659 174.700 0.084 0.000 1.146 180 T CA -1.092 61.077 62.100 0.115 0.000 1.454 180 T CB 0.985 69.945 68.868 0.153 0.000 0.910 180 T HN 0.009 nan 8.240 nan 0.000 0.640 181 P HA -0.074 nan 4.420 nan 0.000 0.223 181 P C 1.125 178.460 177.300 0.058 0.000 1.144 181 P CA 0.939 64.071 63.100 0.053 0.000 0.783 181 P CB 0.105 31.831 31.700 0.043 0.000 0.771 182 T N -2.231 112.358 114.554 0.058 0.000 3.069 182 T HA 0.424 4.778 4.350 0.006 0.000 0.252 182 T C 0.763 175.496 174.700 0.056 0.000 1.053 182 T CA -0.193 61.940 62.100 0.054 0.000 0.964 182 T CB -0.545 68.350 68.868 0.045 0.000 1.005 182 T HN 0.026 nan 8.240 nan 0.000 0.532 183 A N 1.292 124.150 122.820 0.064 0.000 2.448 183 A HA 0.673 4.997 4.320 0.006 0.000 0.239 183 A C 0.852 178.468 177.584 0.055 0.000 1.080 183 A CA 0.031 52.105 52.037 0.061 0.000 0.779 183 A CB -0.264 18.781 19.000 0.074 0.000 1.026 183 A HN 0.700 nan 8.150 nan 0.000 0.499 184 A N 1.022 123.868 122.820 0.043 0.000 2.462 184 A HA 0.512 4.836 4.320 0.006 0.000 0.243 184 A C 0.107 177.715 177.584 0.041 0.000 1.076 184 A CA -0.055 52.004 52.037 0.036 0.000 0.773 184 A CB -0.198 18.816 19.000 0.023 0.000 1.010 184 A HN 0.774 nan 8.150 nan 0.000 0.493 185 L N 1.400 122.651 121.223 0.047 0.000 2.344 185 L HA 0.592 4.936 4.340 0.006 0.000 0.272 185 L C 0.876 177.761 176.870 0.026 0.000 1.035 185 L CA -0.646 54.228 54.840 0.057 0.000 0.807 185 L CB 1.566 43.690 42.059 0.108 0.000 1.237 185 L HN 0.820 nan 8.230 nan 0.000 0.442 186 A N 2.195 125.024 122.820 0.016 0.000 2.407 186 A HA 0.568 4.891 4.320 0.006 0.000 0.248 186 A C -0.438 177.140 177.584 -0.010 0.000 1.082 186 A CA -0.247 51.785 52.037 -0.007 0.000 0.785 186 A CB 0.605 19.591 19.000 -0.022 0.000 1.020 186 A HN 0.407 nan 8.150 nan 0.000 0.489 187 V N 2.836 122.737 119.914 -0.022 0.000 2.604 187 V HA 0.397 4.521 4.120 0.006 0.000 0.305 187 V C -0.433 175.636 176.094 -0.042 0.000 1.043 187 V CA -0.206 62.074 62.300 -0.034 0.000 0.888 187 V CB 1.648 33.452 31.823 -0.032 0.000 0.995 187 V HN 0.725 nan 8.190 nan 0.000 0.429 188 I N 4.161 124.692 120.570 -0.064 0.000 2.355 188 I HA 0.394 4.568 4.170 0.006 0.000 0.288 188 I C -0.184 175.877 176.117 -0.093 0.000 0.999 188 I CA -0.257 60.999 61.300 -0.074 0.000 1.163 188 I CB 1.400 39.321 38.000 -0.132 0.000 1.316 188 I HN 0.630 nan 8.210 nan 0.000 0.454 189 N N 5.853 124.510 118.700 -0.073 0.000 2.455 189 N HA 0.531 5.274 4.740 0.006 0.000 0.280 189 N C -0.884 174.521 175.510 -0.175 0.000 1.055 189 N CA -0.522 52.477 53.050 -0.086 0.000 0.961 189 N CB 1.811 40.281 38.487 -0.028 0.000 1.121 189 N HN 0.345 nan 8.380 nan 0.000 0.476 190 V N -0.532 119.232 119.914 -0.250 0.000 2.962 190 V HA 0.524 4.648 4.120 0.006 0.000 0.313 190 V C -0.815 175.207 176.094 -0.121 0.000 1.099 190 V CA -1.031 61.029 62.300 -0.399 0.000 0.971 190 V CB 1.972 33.348 31.823 -0.746 0.000 1.028 190 V HN 0.536 nan 8.190 nan 0.000 0.430 191 Q N 1.919 121.788 119.800 0.116 0.000 2.293 191 Q HA 0.402 4.745 4.340 0.006 0.000 0.261 191 Q C -0.430 175.707 176.000 0.229 0.000 0.960 191 Q CA -0.667 55.244 55.803 0.179 0.000 0.882 191 Q CB 1.508 30.355 28.738 0.183 0.000 1.275 191 Q HN 0.896 nan 8.270 nan 0.000 0.445 192 H N 0.860 120.091 119.070 0.268 0.000 3.115 192 H HA -0.088 4.472 4.556 0.006 0.000 0.324 192 H C 1.059 176.511 175.328 0.207 0.000 1.007 192 H CA 2.582 58.835 56.048 0.342 0.000 1.385 192 H CB 0.570 30.517 29.762 0.308 0.000 1.351 192 H HN 0.997 nan 8.280 nan 0.000 0.592 193 G N 3.942 112.676 108.800 -0.109 0.000 2.179 193 G HA2 -0.252 3.712 3.960 0.006 0.000 0.260 193 G HA3 -0.252 3.712 3.960 0.006 0.000 0.260 193 G C 0.257 175.162 174.900 0.009 0.000 0.977 193 G CA 0.499 45.594 45.100 -0.009 0.000 0.641 193 G HN 0.609 nan 8.290 nan 0.000 0.533 194 K N -0.219 120.196 120.400 0.026 0.000 2.156 194 K HA 0.676 5.000 4.320 0.006 0.000 0.250 194 K C 0.107 176.647 176.600 -0.100 0.000 0.955 194 K CA -0.875 55.361 56.287 -0.085 0.000 0.855 194 K CB 0.919 33.306 32.500 -0.189 0.000 1.101 194 K HN 0.162 nan 8.250 nan 0.000 0.434 195 R N 1.495 121.860 120.500 -0.225 0.000 2.393 195 R HA 0.331 4.675 4.340 0.006 0.000 0.310 195 R C -1.249 174.834 176.300 -0.362 0.000 0.968 195 R CA -0.478 55.554 56.100 -0.114 0.000 0.867 195 R CB 0.690 30.985 30.300 -0.010 0.000 1.124 195 R HN 0.433 nan 8.270 nan 0.000 0.450 196 Y N 0.827 121.050 120.300 -0.128 0.000 2.393 196 Y HA 0.389 4.943 4.550 0.007 0.000 0.341 196 Y C 0.339 175.912 175.900 -0.546 0.000 0.988 196 Y CA -0.897 56.953 58.100 -0.417 0.000 1.078 196 Y CB 1.792 39.792 38.460 -0.767 0.000 1.203 196 Y HN 0.307 nan 8.280 nan 0.000 0.453 197 R N 4.353 124.484 120.500 -0.615 0.000 2.235 197 R HA 0.341 4.685 4.340 0.006 0.000 0.338 197 R C -1.613 174.248 176.300 -0.732 0.000 1.087 197 R CA -0.228 55.421 56.100 -0.752 0.000 0.948 197 R CB -0.122 29.436 30.300 -1.236 0.000 1.099 197 R HN 0.602 nan 8.270 nan 0.000 0.483 198 F N 3.055 122.635 119.950 -0.617 0.000 2.396 198 F HA 0.364 4.895 4.527 0.006 0.000 0.343 198 F C 0.849 176.242 175.800 -0.678 0.000 1.104 198 F CA -0.458 57.117 58.000 -0.708 0.000 1.161 198 F CB 1.278 39.599 39.000 -1.131 0.000 1.146 198 F HN 0.252 nan 8.300 nan 0.000 0.522 199 R N 3.796 124.160 120.500 -0.227 0.000 2.272 199 R HA 0.344 4.688 4.340 0.006 0.000 0.323 199 R C -1.360 174.835 176.300 -0.175 0.000 1.002 199 R CA -0.958 55.018 56.100 -0.207 0.000 0.900 199 R CB 1.113 31.311 30.300 -0.171 0.000 1.151 199 R HN 0.410 nan 8.270 nan 0.000 0.507 200 L N 4.448 125.569 121.223 -0.171 0.000 2.278 200 L HA 0.296 4.639 4.340 0.006 0.000 0.287 200 L C -0.837 175.895 176.870 -0.230 0.000 1.072 200 L CA -0.210 54.509 54.840 -0.201 0.000 0.819 200 L CB 1.465 43.418 42.059 -0.177 0.000 1.176 200 L HN 0.258 nan 8.230 nan 0.000 0.435 201 V N 4.156 123.902 119.914 -0.281 0.000 2.444 201 V HA 0.406 4.529 4.120 0.006 0.000 0.294 201 V C 0.060 175.876 176.094 -0.462 0.000 1.022 201 V CA -0.624 61.449 62.300 -0.378 0.000 0.850 201 V CB 1.515 33.130 31.823 -0.347 0.000 0.992 201 V HN 0.804 nan 8.190 nan 0.000 0.426 202 S N 5.686 121.066 115.700 -0.534 0.000 2.439 202 S HA 0.434 4.907 4.470 0.006 0.000 0.282 202 S C 0.502 174.559 174.600 -0.906 0.000 1.170 202 S CA -0.640 57.263 58.200 -0.495 0.000 1.054 202 S CB 0.194 63.223 63.200 -0.285 0.000 0.956 202 S HN 0.721 nan 8.310 nan 0.000 0.490 203 I N 2.871 122.992 120.570 -0.748 0.000 3.805 203 I HA 0.383 4.557 4.170 0.006 0.000 0.337 203 I C 0.506 176.469 176.117 -0.257 0.000 1.539 203 I CA -0.608 60.070 61.300 -1.038 0.000 1.176 203 I CB 0.089 37.733 38.000 -0.594 0.000 1.248 203 I HN 0.464 nan 8.210 nan 0.000 0.437 204 S N 0.112 115.736 115.700 -0.127 0.000 2.572 204 S HA 0.117 4.591 4.470 0.006 0.000 0.279 204 S C 1.057 175.843 174.600 0.309 0.000 1.341 204 S CA -0.359 57.940 58.200 0.165 0.000 1.043 204 S CB 1.045 64.342 63.200 0.161 0.000 0.887 204 S HN 0.592 nan 8.310 nan 0.000 0.516 205 c N 3.148 121.911 118.600 0.273 0.000 2.594 205 c HA 0.236 4.810 4.570 0.006 0.000 0.265 205 c C 1.532 175.675 174.090 0.088 0.000 1.351 205 c CA 0.276 56.619 56.329 0.022 0.000 1.744 205 c CB -0.956 41.416 42.510 -0.231 0.000 1.890 205 c HN 1.001 nan 8.230 nan 0.000 0.551 206 D N -1.288 119.237 120.400 0.207 0.000 2.474 206 D HA 0.084 4.728 4.640 0.006 0.000 0.108 206 D C -2.376 174.025 176.300 0.169 0.000 1.491 206 D CA 0.368 54.508 54.000 0.234 0.000 1.401 206 D CB -0.774 40.303 40.800 0.461 0.000 2.273 206 D HN 0.042 nan 8.370 nan 0.000 0.229 207 P HA 0.152 nan 4.420 nan 0.000 0.269 207 P C -0.398 176.679 177.300 -0.371 0.000 1.215 207 P CA 0.016 62.993 63.100 -0.205 0.000 0.780 207 P CB 0.381 31.682 31.700 -0.666 0.000 0.898 208 N N 1.048 119.538 118.700 -0.349 0.000 2.489 208 N HA 0.246 4.990 4.740 0.006 0.000 0.284 208 N C -1.125 173.976 175.510 -0.683 0.000 1.158 208 N CA -0.449 52.335 53.050 -0.443 0.000 0.965 208 N CB 0.836 39.014 38.487 -0.516 0.000 1.195 208 N HN 0.317 nan 8.380 nan 0.000 0.506 209 Y N -0.903 119.280 120.300 -0.194 0.000 2.499 209 Y HA 0.293 4.847 4.550 0.007 0.000 0.347 209 Y C -0.039 175.800 175.900 -0.103 0.000 0.987 209 Y CA -0.734 57.299 58.100 -0.111 0.000 1.044 209 Y CB 2.397 40.832 38.460 -0.043 0.000 1.245 209 Y HN 0.404 nan 8.280 nan 0.000 0.461 210 T N 4.268 118.890 114.554 0.113 0.000 2.781 210 T HA 0.294 4.648 4.350 0.006 0.000 0.305 210 T C -1.136 173.643 174.700 0.132 0.000 1.001 210 T CA -0.332 61.806 62.100 0.064 0.000 0.950 210 T CB -0.394 68.487 68.868 0.022 0.000 0.955 210 T HN 0.379 nan 8.240 nan 0.000 0.471 211 F N 3.923 123.845 119.950 -0.047 0.000 2.421 211 F HA 0.643 5.173 4.527 0.006 0.000 0.337 211 F C 0.301 176.014 175.800 -0.144 0.000 1.105 211 F CA -0.212 57.737 58.000 -0.085 0.000 1.049 211 F CB 0.911 39.844 39.000 -0.112 0.000 1.139 211 F HN 0.575 nan 8.300 nan 0.000 0.479 212 S N 5.703 120.899 115.700 -0.840 0.000 2.567 212 S HA 0.663 5.136 4.470 0.006 0.000 0.270 212 S C -1.453 172.721 174.600 -0.709 0.000 1.152 212 S CA -1.000 56.839 58.200 -0.601 0.000 0.835 212 S CB 1.258 64.280 63.200 -0.296 0.000 1.115 212 S HN 0.577 nan 8.310 nan 0.000 0.459 213 I N 1.916 122.216 120.570 -0.450 0.000 2.410 213 I HA 0.330 4.504 4.170 0.006 0.000 0.286 213 I C -0.916 175.137 176.117 -0.107 0.000 1.009 213 I CA -0.684 60.429 61.300 -0.311 0.000 1.111 213 I CB 1.620 39.436 38.000 -0.306 0.000 1.262 213 I HN 0.625 nan 8.210 nan 0.000 0.443 214 D N 4.827 125.220 120.400 -0.012 0.000 2.506 214 D HA 0.115 4.758 4.640 0.006 0.000 0.234 214 D C 1.301 177.729 176.300 0.214 0.000 1.143 214 D CA 1.251 55.314 54.000 0.106 0.000 0.871 214 D CB 0.795 41.713 40.800 0.197 0.000 1.190 214 D HN 0.917 nan 8.370 nan 0.000 0.459 215 G N 1.401 110.272 108.800 0.117 0.000 2.180 215 G HA2 -0.280 3.684 3.960 0.006 0.000 0.263 215 G HA3 -0.280 3.684 3.960 0.006 0.000 0.263 215 G C -0.037 174.731 174.900 -0.220 0.000 0.989 215 G CA 0.707 45.803 45.100 -0.007 0.000 0.692 215 G HN 0.682 nan 8.290 nan 0.000 0.526 216 H N -0.611 118.380 119.070 -0.132 0.000 2.717 216 H HA 0.583 5.142 4.556 0.006 0.000 0.366 216 H C -0.059 175.215 175.328 -0.091 0.000 1.132 216 H CA -0.859 55.119 56.048 -0.116 0.000 1.180 216 H CB 1.156 30.837 29.762 -0.135 0.000 1.678 216 H HN 0.124 nan 8.280 nan 0.000 0.537 217 N N 1.529 120.256 118.700 0.045 0.000 2.482 217 N HA 0.465 5.209 4.740 0.006 0.000 0.279 217 N C -0.937 174.590 175.510 0.027 0.000 1.182 217 N CA -0.491 52.562 53.050 0.005 0.000 0.969 217 N CB 1.312 39.798 38.487 -0.000 0.000 1.201 217 N HN 0.390 nan 8.380 nan 0.000 0.523 218 L N 0.263 121.471 121.223 -0.025 0.000 2.386 218 L HA 0.464 4.808 4.340 0.006 0.000 0.271 218 L C -0.194 176.709 176.870 0.055 0.000 0.993 218 L CA -0.782 54.059 54.840 0.002 0.000 0.819 218 L CB 2.055 43.912 42.059 -0.335 0.000 1.294 218 L HN 0.249 nan 8.230 nan 0.000 0.414 219 T N 2.045 116.692 114.554 0.154 0.000 2.781 219 T HA 0.342 4.695 4.350 0.006 0.000 0.305 219 T C 0.066 174.841 174.700 0.125 0.000 1.001 219 T CA -0.353 61.810 62.100 0.106 0.000 0.950 219 T CB 1.155 70.077 68.868 0.091 0.000 0.955 219 T HN 0.200 nan 8.240 nan 0.000 0.471 220 V N 5.860 125.822 119.914 0.081 0.000 2.555 220 V HA 0.238 4.362 4.120 0.006 0.000 0.286 220 V C 1.221 177.339 176.094 0.040 0.000 1.044 220 V CA 0.112 62.469 62.300 0.095 0.000 1.026 220 V CB 0.443 32.295 31.823 0.048 0.000 0.981 220 V HN 0.919 nan 8.190 nan 0.000 0.480 221 I N 0.685 121.251 120.570 -0.007 0.000 4.442 221 I HA 0.568 4.742 4.170 0.006 0.000 0.331 221 I C 0.380 176.506 176.117 0.016 0.000 1.364 221 I CA 0.121 61.315 61.300 -0.177 0.000 1.207 221 I CB 0.567 38.196 38.000 -0.619 0.000 1.298 221 I HN 0.593 nan 8.210 nan 0.000 0.463 222 E N 1.516 121.763 120.200 0.078 0.000 2.352 222 E HA 0.549 4.903 4.350 0.006 0.000 0.280 222 E C -1.857 174.775 176.600 0.053 0.000 0.930 222 E CA -0.586 55.854 56.400 0.068 0.000 0.765 222 E CB 3.657 33.359 29.700 0.002 0.000 1.219 222 E HN 0.011 nan 8.360 nan 0.000 0.434 223 V N 3.714 123.612 119.914 -0.026 0.000 2.447 223 V HA 0.194 4.317 4.120 0.006 0.000 0.292 223 V C -0.840 175.107 176.094 -0.245 0.000 1.021 223 V CA -0.724 61.477 62.300 -0.165 0.000 0.850 223 V CB 1.458 33.271 31.823 -0.015 0.000 1.005 223 V HN 0.876 nan 8.190 nan 0.000 0.426 224 D N 4.370 124.541 120.400 -0.380 0.000 2.686 224 D HA -0.183 4.461 4.640 0.006 0.000 0.235 224 D C 1.375 177.481 176.300 -0.323 0.000 1.160 224 D CA 2.043 55.848 54.000 -0.325 0.000 0.645 224 D CB -1.054 39.623 40.800 -0.205 0.000 1.039 224 D HN 1.431 nan 8.370 nan 0.000 0.423 225 G N -1.483 107.044 108.800 -0.455 0.000 2.176 225 G HA2 -0.293 3.670 3.960 0.006 0.000 0.253 225 G HA3 -0.293 3.670 3.960 0.006 0.000 0.253 225 G C 0.243 175.081 174.900 -0.104 0.000 0.979 225 G CA 0.214 45.056 45.100 -0.430 0.000 0.641 225 G HN 0.480 nan 8.290 nan 0.000 0.530 226 I N 1.688 122.224 120.570 -0.058 0.000 2.339 226 I HA 0.245 4.418 4.170 0.006 0.000 0.290 226 I C 0.409 176.558 176.117 0.053 0.000 0.994 226 I CA -1.129 60.185 61.300 0.024 0.000 1.191 226 I CB 0.775 38.807 38.000 0.053 0.000 1.343 226 I HN 0.130 nan 8.210 nan 0.000 0.458 227 N N 3.922 122.670 118.700 0.081 0.000 2.454 227 N HA 0.155 4.899 4.740 0.006 0.000 0.260 227 N C 0.060 175.681 175.510 0.184 0.000 1.218 227 N CA 0.092 53.238 53.050 0.159 0.000 0.904 227 N CB 0.741 39.281 38.487 0.088 0.000 1.065 227 N HN 0.708 nan 8.380 nan 0.000 0.462 228 S N 1.432 117.298 115.700 0.275 0.000 2.689 228 S HA 0.307 4.781 4.470 0.006 0.000 0.306 228 S C -0.588 174.186 174.600 0.290 0.000 1.104 228 S CA -1.123 57.215 58.200 0.230 0.000 0.973 228 S CB 1.635 64.941 63.200 0.176 0.000 1.121 228 S HN 0.338 nan 8.310 nan 0.000 0.523 229 Q N 1.177 121.113 119.800 0.226 0.000 2.364 229 Q HA 0.308 4.651 4.340 0.006 0.000 0.267 229 Q C -2.427 173.680 176.000 0.178 0.000 0.999 229 Q CA -1.630 54.302 55.803 0.215 0.000 0.886 229 Q CB -0.114 28.735 28.738 0.185 0.000 1.243 229 Q HN 0.468 nan 8.270 nan 0.000 0.415 230 P HA -0.010 nan 4.420 nan 0.000 0.262 230 P C -0.796 176.553 177.300 0.081 0.000 1.182 230 P CA 0.087 63.238 63.100 0.084 0.000 0.761 230 P CB 0.290 32.038 31.700 0.081 0.000 0.795 231 L N 4.867 126.126 121.223 0.060 0.000 2.406 231 L HA 0.466 4.809 4.340 0.006 0.000 0.272 231 L C -1.329 175.559 176.870 0.029 0.000 0.980 231 L CA -0.915 53.956 54.840 0.051 0.000 0.831 231 L CB 1.665 43.753 42.059 0.049 0.000 1.253 231 L HN 0.112 nan 8.230 nan 0.000 0.406 232 L N 6.926 128.165 121.223 0.026 0.000 2.281 232 L HA 0.722 5.065 4.340 0.006 0.000 0.285 232 L C -0.450 176.414 176.870 -0.010 0.000 1.074 232 L CA 0.122 54.971 54.840 0.014 0.000 0.817 232 L CB 1.069 43.140 42.059 0.020 0.000 1.168 232 L HN 0.559 nan 8.230 nan 0.000 0.434 233 V N 1.499 121.392 119.914 -0.035 0.000 3.160 233 V HA 0.720 4.843 4.120 0.006 0.000 0.310 233 V C -0.591 175.457 176.094 -0.077 0.000 1.181 233 V CA -0.209 62.054 62.300 -0.061 0.000 1.047 233 V CB 2.052 33.816 31.823 -0.099 0.000 1.068 233 V HN 0.746 nan 8.190 nan 0.000 0.441 234 D N -0.018 120.335 120.400 -0.079 0.000 2.500 234 D HA 0.297 4.940 4.640 0.006 0.000 0.217 234 D C 0.337 176.570 176.300 -0.110 0.000 1.159 234 D CA 0.736 54.684 54.000 -0.088 0.000 0.828 234 D CB 0.388 41.152 40.800 -0.060 0.000 1.039 234 D HN 1.163 nan 8.370 nan 0.000 0.512 235 S N -0.625 115.010 115.700 -0.109 0.000 2.547 235 S HA 0.670 5.144 4.470 0.006 0.000 0.270 235 S C -1.267 173.269 174.600 -0.106 0.000 1.150 235 S CA -0.985 57.155 58.200 -0.100 0.000 0.850 235 S CB 1.252 64.408 63.200 -0.073 0.000 1.118 235 S HN 0.102 nan 8.310 nan 0.000 0.461 236 I N 1.622 122.148 120.570 -0.074 0.000 2.468 236 I HA 0.374 4.548 4.170 0.006 0.000 0.285 236 I C -0.457 175.620 176.117 -0.067 0.000 1.039 236 I CA -0.327 60.890 61.300 -0.138 0.000 1.074 236 I CB 2.100 39.950 38.000 -0.250 0.000 1.228 236 I HN 0.762 nan 8.210 nan 0.000 0.436 237 Q N 7.112 126.861 119.800 -0.086 0.000 2.349 237 Q HA 0.492 4.836 4.340 0.006 0.000 0.254 237 Q C -1.197 174.686 176.000 -0.194 0.000 0.980 237 Q CA -0.300 55.416 55.803 -0.145 0.000 0.924 237 Q CB 1.459 30.099 28.738 -0.163 0.000 1.209 237 Q HN 0.654 nan 8.270 nan 0.000 0.445 238 I N 4.453 124.909 120.570 -0.189 0.000 2.362 238 I HA 0.378 4.552 4.170 0.006 0.000 0.289 238 I C -1.234 174.738 176.117 -0.243 0.000 0.994 238 I CA -0.831 60.437 61.300 -0.053 0.000 1.158 238 I CB 0.648 38.700 38.000 0.086 0.000 1.315 238 I HN 0.575 nan 8.210 nan 0.000 0.451 239 F N 5.620 125.607 119.950 0.062 0.000 2.370 239 F HA 0.536 5.067 4.527 0.007 0.000 0.319 239 F C 1.120 176.894 175.800 -0.043 0.000 1.129 239 F CA -0.348 57.662 58.000 0.017 0.000 1.109 239 F CB 0.762 39.787 39.000 0.042 0.000 1.262 239 F HN 0.484 nan 8.300 nan 0.000 0.534 240 A N 1.483 124.385 122.820 0.138 0.000 2.565 240 A HA 0.360 4.684 4.320 0.006 0.000 0.237 240 A C 0.980 178.456 177.584 -0.180 0.000 1.053 240 A CA 0.434 52.465 52.037 -0.010 0.000 0.755 240 A CB -0.948 18.107 19.000 0.093 0.000 0.980 240 A HN 1.877 nan 8.150 nan 0.000 0.506 241 A N 1.291 123.849 122.820 -0.437 0.000 3.601 241 A HA -0.197 4.127 4.320 0.006 0.000 0.266 241 A C 0.621 177.933 177.584 -0.453 0.000 1.077 241 A CA 1.656 53.339 52.037 -0.589 0.000 1.228 241 A CB -2.409 16.059 19.000 -0.886 0.000 1.099 241 A HN 0.967 nan 8.150 nan 0.000 0.916 242 Q N -0.985 118.636 119.800 -0.298 0.000 2.368 242 Q HA 0.619 4.963 4.340 0.006 0.000 0.237 242 Q C 0.021 175.792 176.000 -0.380 0.000 0.987 242 Q CA -0.042 55.601 55.803 -0.266 0.000 0.896 242 Q CB 0.436 29.090 28.738 -0.140 0.000 1.241 242 Q HN 0.514 nan 8.270 nan 0.000 0.485 243 R N 0.398 120.618 120.500 -0.466 0.000 2.725 243 R HA 0.544 4.888 4.340 0.006 0.000 0.277 243 R C -1.712 174.238 176.300 -0.584 0.000 0.987 243 R CA -0.535 55.302 56.100 -0.438 0.000 0.901 243 R CB 1.350 31.411 30.300 -0.399 0.000 1.207 243 R HN 0.484 nan 8.270 nan 0.000 0.463 244 Y N -0.747 119.460 120.300 -0.154 0.000 2.504 244 Y HA 0.521 5.075 4.550 0.006 0.000 0.344 244 Y C -0.364 175.484 175.900 -0.086 0.000 1.023 244 Y CA -0.616 57.434 58.100 -0.083 0.000 1.020 244 Y CB 2.875 41.329 38.460 -0.010 0.000 1.282 244 Y HN 0.452 nan 8.280 nan 0.000 0.454 245 S N 3.501 119.255 115.700 0.089 0.000 2.475 245 S HA 0.777 5.250 4.470 0.006 0.000 0.298 245 S C -1.330 173.312 174.600 0.069 0.000 1.119 245 S CA -0.640 57.530 58.200 -0.050 0.000 1.085 245 S CB 0.428 63.551 63.200 -0.129 0.000 1.028 245 S HN 0.456 nan 8.310 nan 0.000 0.489 246 F N 0.079 120.028 119.950 -0.001 0.000 2.601 246 F HA 0.806 5.337 4.527 0.005 0.000 0.309 246 F C -1.144 174.683 175.800 0.044 0.000 1.089 246 F CA -1.291 56.719 58.000 0.016 0.000 0.940 246 F CB 0.536 39.554 39.000 0.030 0.000 1.273 246 F HN 0.207 nan 8.300 nan 0.000 0.450 247 V N 3.636 123.697 119.914 0.245 0.000 2.439 247 V HA 0.448 4.571 4.120 0.006 0.000 0.282 247 V C -0.525 175.789 176.094 0.367 0.000 1.039 247 V CA -0.622 61.786 62.300 0.180 0.000 0.913 247 V CB 1.482 33.390 31.823 0.142 0.000 0.983 247 V HN 0.839 nan 8.190 nan 0.000 0.460 248 L N 5.171 126.622 121.223 0.380 0.000 2.325 248 L HA 0.519 4.863 4.340 0.006 0.000 0.281 248 L C 0.038 177.096 176.870 0.314 0.000 1.004 248 L CA -0.100 54.996 54.840 0.426 0.000 0.823 248 L CB 1.123 43.529 42.059 0.580 0.000 1.236 248 L HN 0.739 nan 8.230 nan 0.000 0.415 249 N N 3.927 122.775 118.700 0.246 0.000 2.420 249 N HA 0.404 5.148 4.740 0.006 0.000 0.249 249 N C -0.248 175.384 175.510 0.203 0.000 1.033 249 N CA -0.386 52.771 53.050 0.179 0.000 0.944 249 N CB 1.219 39.773 38.487 0.112 0.000 1.113 249 N HN 0.762 nan 8.380 nan 0.000 0.502 250 A N 3.882 126.813 122.820 0.185 0.000 3.056 250 A HA 0.057 4.380 4.320 0.006 0.000 0.274 250 A C 0.416 178.047 177.584 0.078 0.000 1.661 250 A CA -0.532 51.589 52.037 0.140 0.000 1.363 250 A CB -0.649 18.325 19.000 -0.043 0.000 1.139 250 A HN 0.874 nan 8.150 nan 0.000 0.598 251 N N -0.091 118.635 118.700 0.043 0.000 2.235 251 N HA 0.041 4.785 4.740 0.006 0.000 0.231 251 N C -0.166 175.322 175.510 -0.036 0.000 1.177 251 N CA -0.201 52.736 53.050 -0.188 0.000 0.874 251 N CB 0.217 38.661 38.487 -0.072 0.000 1.097 251 N HN 0.408 nan 8.380 nan 0.000 0.518 252 Q N 0.639 120.468 119.800 0.049 0.000 2.171 252 Q HA 0.228 4.571 4.340 0.006 0.000 0.217 252 Q C 0.171 176.159 176.000 -0.019 0.000 0.995 252 Q CA -0.179 55.584 55.803 -0.067 0.000 0.979 252 Q CB 0.421 28.945 28.738 -0.357 0.000 1.152 252 Q HN 0.391 nan 8.270 nan 0.000 0.525 253 T N -2.481 112.061 114.554 -0.021 0.000 2.888 253 T HA 0.209 4.562 4.350 0.006 0.000 0.301 253 T C 0.433 174.996 174.700 -0.228 0.000 1.001 253 T CA -0.689 61.376 62.100 -0.058 0.000 1.147 253 T CB 0.041 68.888 68.868 -0.034 0.000 0.931 253 T HN 0.247 nan 8.240 nan 0.000 0.541 254 V N 4.708 124.464 119.914 -0.264 0.000 2.555 254 V HA 0.449 4.572 4.120 0.006 0.000 0.299 254 V C 1.266 177.251 176.094 -0.182 0.000 1.012 254 V CA 1.456 63.589 62.300 -0.279 0.000 1.180 254 V CB -0.666 31.110 31.823 -0.078 0.000 0.887 254 V HN 1.342 nan 8.190 nan 0.000 0.476 255 G N 4.559 113.280 108.800 -0.131 0.000 2.494 255 G HA2 0.343 4.307 3.960 0.006 0.000 0.308 255 G HA3 0.343 4.307 3.960 0.006 0.000 0.308 255 G C -1.417 173.412 174.900 -0.117 0.000 1.263 255 G CA -0.952 44.027 45.100 -0.201 0.000 0.840 255 G HN 0.550 nan 8.290 nan 0.000 0.479 256 N N -0.332 118.159 118.700 -0.349 0.000 2.417 256 N HA 0.635 5.379 4.740 0.006 0.000 0.274 256 N C -1.733 173.484 175.510 -0.490 0.000 0.987 256 N CA -0.329 52.552 53.050 -0.281 0.000 0.912 256 N CB 1.761 40.055 38.487 -0.322 0.000 1.177 256 N HN 0.407 nan 8.380 nan 0.000 0.490 257 Y N 0.198 120.415 120.300 -0.138 0.000 2.446 257 Y HA 0.381 4.936 4.550 0.008 0.000 0.345 257 Y C -0.455 175.339 175.900 -0.177 0.000 0.984 257 Y CA -0.863 57.165 58.100 -0.121 0.000 1.058 257 Y CB 1.089 39.578 38.460 0.048 0.000 1.220 257 Y HN 0.436 nan 8.280 nan 0.000 0.455 258 W N 3.504 124.808 121.300 0.007 0.000 2.218 258 W HA 0.517 5.179 4.660 0.002 0.000 0.326 258 W C -0.571 175.834 176.519 -0.190 0.000 1.276 258 W CA -0.214 57.062 57.345 -0.116 0.000 1.210 258 W CB 0.564 29.904 29.460 -0.200 0.000 1.143 258 W HN 0.225 nan 8.180 nan 0.000 0.563 259 I N 3.910 124.532 120.570 0.087 0.000 2.354 259 I HA 0.357 4.531 4.170 0.006 0.000 0.292 259 I C -0.036 175.938 176.117 -0.239 0.000 0.989 259 I CA -0.896 60.295 61.300 -0.182 0.000 1.188 259 I CB 0.921 38.831 38.000 -0.149 0.000 1.342 259 I HN 0.309 nan 8.210 nan 0.000 0.457 260 R N 5.171 125.406 120.500 -0.442 0.000 2.562 260 R HA 0.816 5.159 4.340 0.006 0.000 0.298 260 R C -0.859 175.303 176.300 -0.229 0.000 0.961 260 R CA -0.824 55.056 56.100 -0.366 0.000 0.881 260 R CB 2.099 32.023 30.300 -0.627 0.000 1.159 260 R HN 0.668 nan 8.270 nan 0.000 0.450 261 A N 2.922 125.776 122.820 0.058 0.000 2.702 261 A HA 0.240 4.564 4.320 0.006 0.000 0.305 261 A C -1.012 176.728 177.584 0.260 0.000 1.213 261 A CA -0.680 51.435 52.037 0.131 0.000 0.745 261 A CB 0.402 19.390 19.000 -0.020 0.000 1.161 261 A HN 0.864 nan 8.150 nan 0.000 0.445 262 N N 3.929 122.793 118.700 0.273 0.000 2.419 262 N HA 0.397 5.141 4.740 0.006 0.000 0.264 262 N C -2.543 173.023 175.510 0.094 0.000 1.031 262 N CA -1.643 51.473 53.050 0.110 0.000 0.951 262 N CB 1.618 40.129 38.487 0.040 0.000 1.101 262 N HN 0.333 nan 8.380 nan 0.000 0.488 263 P HA 0.073 nan 4.420 nan 0.000 0.274 263 P C -0.496 176.677 177.300 -0.211 0.000 1.237 263 P CA -0.130 62.803 63.100 -0.278 0.000 0.793 263 P CB 0.811 32.314 31.700 -0.329 0.000 0.977 264 N N 0.886 119.470 118.700 -0.194 0.000 2.409 264 N HA -0.020 4.724 4.740 0.006 0.000 0.179 264 N C 0.268 175.866 175.510 0.147 0.000 1.032 264 N CA 0.268 53.319 53.050 0.001 0.000 0.898 264 N CB -0.431 38.099 38.487 0.071 0.000 0.971 264 N HN 0.492 nan 8.380 nan 0.000 0.441 265 F N -3.945 115.927 119.950 -0.130 0.000 2.711 265 F HA 0.781 5.313 4.527 0.007 0.000 0.313 265 F C 0.469 176.210 175.800 -0.099 0.000 1.141 265 F CA -0.564 57.378 58.000 -0.096 0.000 0.941 265 F CB 1.023 39.981 39.000 -0.069 0.000 1.349 265 F HN 0.076 nan 8.300 nan 0.000 0.464 266 G N 0.717 109.476 108.800 -0.069 0.000 2.513 266 G HA2 -0.003 3.961 3.960 0.006 0.000 0.227 266 G HA3 -0.003 3.961 3.960 0.006 0.000 0.227 266 G C -0.788 174.029 174.900 -0.138 0.000 1.176 266 G CA -0.381 44.612 45.100 -0.179 0.000 0.967 266 G HN 1.027 nan 8.290 nan 0.000 0.587 267 T N 2.099 116.550 114.554 -0.172 0.000 2.794 267 T HA 0.543 4.897 4.350 0.006 0.000 0.304 267 T C 0.753 175.341 174.700 -0.187 0.000 0.973 267 T CA 0.339 62.347 62.100 -0.152 0.000 0.972 267 T CB 0.439 69.221 68.868 -0.143 0.000 0.952 267 T HN 1.619 nan 8.240 nan 0.000 0.509 268 V N 1.354 121.154 119.914 -0.189 0.000 2.997 268 V HA 1.014 5.138 4.120 0.006 0.000 0.311 268 V C 0.679 176.552 176.094 -0.369 0.000 1.066 268 V CA 0.041 62.184 62.300 -0.261 0.000 1.039 268 V CB 0.487 32.189 31.823 -0.201 0.000 1.081 268 V HN 1.154 nan 8.190 nan 0.000 0.467 269 G N 1.729 110.143 108.800 -0.644 0.000 2.685 269 G HA2 -0.111 3.853 3.960 0.006 0.000 0.387 269 G HA3 -0.111 3.853 3.960 0.006 0.000 0.387 269 G C -0.806 173.412 174.900 -1.136 0.000 1.324 269 G CA 0.040 44.605 45.100 -0.892 0.000 0.878 269 G HN 1.361 nan 8.290 nan 0.000 0.527 270 F N 0.973 120.817 119.950 -0.178 0.000 2.764 270 F HA 0.645 5.174 4.527 0.004 0.000 0.310 270 F C 1.503 177.156 175.800 -0.246 0.000 1.124 270 F CA -0.125 57.719 58.000 -0.260 0.000 1.252 270 F CB 0.412 39.181 39.000 -0.385 0.000 1.010 270 F HN 0.867 nan 8.300 nan 0.000 0.518 271 A N 0.559 123.325 122.820 -0.090 0.000 2.545 271 A HA 0.418 4.742 4.320 0.006 0.000 0.253 271 A C 1.579 179.129 177.584 -0.057 0.000 1.074 271 A CA 0.888 52.886 52.037 -0.065 0.000 0.760 271 A CB -0.715 18.248 19.000 -0.062 0.000 1.005 271 A HN 1.150 nan 8.150 nan 0.000 0.506 272 G N 1.389 110.166 108.800 -0.038 0.000 2.162 272 G HA2 0.142 4.106 3.960 0.006 0.000 0.260 272 G HA3 0.142 4.106 3.960 0.006 0.000 0.260 272 G C 1.594 176.485 174.900 -0.015 0.000 0.976 272 G CA 0.932 46.027 45.100 -0.008 0.000 0.655 272 G HN 2.845 nan 8.290 nan 0.000 0.533 273 G N -0.769 107.963 108.800 -0.114 0.000 2.132 273 G HA2 -0.090 3.873 3.960 0.006 0.000 0.234 273 G HA3 -0.090 3.873 3.960 0.006 0.000 0.234 273 G C 0.570 175.419 174.900 -0.085 0.000 0.989 273 G CA 0.585 45.572 45.100 -0.188 0.000 0.676 273 G HN 2.140 nan 8.290 nan 0.000 0.522 274 I N -3.497 117.035 120.570 -0.063 0.000 2.882 274 I HA 0.518 4.692 4.170 0.006 0.000 0.286 274 I C 0.913 177.026 176.117 -0.007 0.000 1.139 274 I CA -0.052 61.226 61.300 -0.036 0.000 1.379 274 I CB 0.370 38.331 38.000 -0.066 0.000 1.410 274 I HN -0.004 nan 8.210 nan 0.000 0.594 275 N N 1.524 120.226 118.700 0.003 0.000 2.725 275 N HA -0.182 4.562 4.740 0.006 0.000 0.249 275 N C -0.768 174.812 175.510 0.117 0.000 1.103 275 N CA 1.176 54.257 53.050 0.051 0.000 0.707 275 N CB -1.239 37.253 38.487 0.008 0.000 1.043 275 N HN 0.800 nan 8.380 nan 0.000 0.553 276 S N -1.482 114.245 115.700 0.044 0.000 2.651 276 S HA 0.968 5.442 4.470 0.006 0.000 0.279 276 S C -0.289 174.369 174.600 0.098 0.000 1.148 276 S CA -0.196 58.019 58.200 0.024 0.000 0.837 276 S CB 2.820 65.943 63.200 -0.128 0.000 1.138 276 S HN 0.501 nan 8.310 nan 0.000 0.478 277 A N 0.437 123.353 122.820 0.160 0.000 2.567 277 A HA 0.882 5.206 4.320 0.006 0.000 0.289 277 A C -1.882 175.802 177.584 0.168 0.000 1.177 277 A CA -0.675 51.442 52.037 0.133 0.000 0.694 277 A CB 0.778 19.799 19.000 0.034 0.000 1.292 277 A HN 0.673 nan 8.150 nan 0.000 0.425 278 I N 0.588 121.183 120.570 0.040 0.000 2.406 278 I HA 0.387 4.560 4.170 0.006 0.000 0.290 278 I C -1.019 175.055 176.117 -0.071 0.000 0.999 278 I CA -0.624 60.643 61.300 -0.056 0.000 1.124 278 I CB 1.784 39.709 38.000 -0.124 0.000 1.289 278 I HN 0.535 nan 8.210 nan 0.000 0.441 279 L N 7.490 128.674 121.223 -0.064 0.000 2.264 279 L HA 0.483 4.826 4.340 0.006 0.000 0.289 279 L C -0.196 176.694 176.870 0.033 0.000 1.044 279 L CA 0.033 54.830 54.840 -0.072 0.000 0.807 279 L CB 0.610 42.598 42.059 -0.119 0.000 1.192 279 L HN 0.584 nan 8.230 nan 0.000 0.425 280 R N 4.056 124.559 120.500 0.005 0.000 2.409 280 R HA 0.367 4.711 4.340 0.006 0.000 0.313 280 R C -1.460 174.913 176.300 0.122 0.000 0.953 280 R CA -0.585 55.563 56.100 0.080 0.000 0.849 280 R CB 0.697 31.001 30.300 0.008 0.000 1.171 280 R HN 0.517 nan 8.270 nan 0.000 0.458 281 Y N 2.036 122.385 120.300 0.082 0.000 2.411 281 Y HA 0.013 4.566 4.550 0.005 0.000 0.333 281 Y C 0.888 176.831 175.900 0.071 0.000 1.186 281 Y CA 0.281 58.444 58.100 0.105 0.000 1.381 281 Y CB 0.738 39.310 38.460 0.187 0.000 1.273 281 Y HN 0.503 nan 8.280 nan 0.000 0.546 282 Q N 1.411 121.334 119.800 0.204 0.000 2.330 282 Q HA 0.277 4.620 4.340 0.006 0.000 0.279 282 Q C 0.930 177.013 176.000 0.138 0.000 1.024 282 Q CA 1.174 57.057 55.803 0.133 0.000 0.900 282 Q CB 0.124 28.929 28.738 0.111 0.000 1.221 282 Q HN 1.042 nan 8.270 nan 0.000 0.396 283 G N 2.035 110.885 108.800 0.083 0.000 2.232 283 G HA2 -0.262 3.702 3.960 0.006 0.000 0.226 283 G HA3 -0.262 3.702 3.960 0.006 0.000 0.226 283 G C 0.108 175.030 174.900 0.037 0.000 0.996 283 G CA -0.057 45.077 45.100 0.056 0.000 0.626 283 G HN 0.999 nan 8.290 nan 0.000 0.509 284 A N 1.718 124.571 122.820 0.054 0.000 2.386 284 A HA 0.688 5.012 4.320 0.006 0.000 0.248 284 A C -1.028 176.550 177.584 -0.010 0.000 1.082 284 A CA -0.262 51.784 52.037 0.015 0.000 0.789 284 A CB 0.106 19.126 19.000 0.034 0.000 1.025 284 A HN 0.352 nan 8.150 nan 0.000 0.490 285 P HA 0.220 nan 4.420 nan 0.000 0.274 285 P C -0.643 176.629 177.300 -0.047 0.000 1.231 285 P CA -0.253 62.823 63.100 -0.040 0.000 0.790 285 P CB 0.607 32.276 31.700 -0.053 0.000 0.951 286 V N 1.851 121.742 119.914 -0.039 0.000 2.381 286 V HA 0.449 4.572 4.120 0.006 0.000 0.257 286 V C 0.716 176.776 176.094 -0.058 0.000 1.057 286 V CA 0.640 62.914 62.300 -0.043 0.000 1.013 286 V CB -0.830 30.976 31.823 -0.028 0.000 1.069 286 V HN 0.942 nan 8.190 nan 0.000 0.484 287 A N 4.530 127.298 122.820 -0.087 0.000 2.566 287 A HA 0.631 4.955 4.320 0.006 0.000 0.290 287 A C -0.741 176.740 177.584 -0.172 0.000 1.071 287 A CA -0.868 51.107 52.037 -0.104 0.000 0.658 287 A CB 0.984 19.922 19.000 -0.103 0.000 1.285 287 A HN 0.596 nan 8.150 nan 0.000 0.427 288 E N 0.976 121.068 120.200 -0.180 0.000 2.354 288 E HA 0.396 4.750 4.350 0.006 0.000 0.269 288 E C -2.271 174.043 176.600 -0.477 0.000 1.036 288 E CA -1.406 54.794 56.400 -0.333 0.000 0.876 288 E CB 0.389 29.997 29.700 -0.154 0.000 1.009 288 E HN 0.354 nan 8.360 nan 0.000 0.416 289 P HA -0.017 nan 4.420 nan 0.000 0.270 289 P C 0.159 177.132 177.300 -0.544 0.000 1.223 289 P CA 0.081 62.663 63.100 -0.864 0.000 0.785 289 P CB 0.531 31.383 31.700 -1.415 0.000 0.923 290 T N -4.572 109.808 114.554 -0.290 0.000 3.231 290 T HA 0.140 4.494 4.350 0.006 0.000 0.292 290 T C 0.393 175.099 174.700 0.011 0.000 1.001 290 T CA -0.366 61.709 62.100 -0.042 0.000 0.920 290 T CB -1.081 67.757 68.868 -0.048 0.000 1.140 290 T HN 0.450 nan 8.240 nan 0.000 0.525 291 T N 1.851 116.385 114.554 -0.034 0.000 2.900 291 T HA 0.454 4.807 4.350 0.006 0.000 0.307 291 T C 0.404 175.203 174.700 0.164 0.000 1.065 291 T CA -0.228 61.899 62.100 0.045 0.000 1.105 291 T CB 0.873 69.767 68.868 0.043 0.000 0.979 291 T HN 0.460 nan 8.240 nan 0.000 0.544 292 T N 0.018 114.627 114.554 0.092 0.000 2.918 292 T HA 0.414 4.768 4.350 0.006 0.000 0.286 292 T C -0.322 174.396 174.700 0.029 0.000 1.026 292 T CA -1.044 61.091 62.100 0.059 0.000 1.031 292 T CB 1.527 70.415 68.868 0.034 0.000 1.046 292 T HN 0.808 nan 8.240 nan 0.000 0.479 293 Q N 1.239 121.028 119.800 -0.017 0.000 2.288 293 Q HA 0.332 4.675 4.340 0.006 0.000 0.258 293 Q C -0.284 175.703 176.000 -0.021 0.000 0.957 293 Q CA -0.348 55.425 55.803 -0.051 0.000 0.919 293 Q CB 0.712 29.388 28.738 -0.103 0.000 1.185 293 Q HN 0.845 nan 8.270 nan 0.000 0.408 294 T N 2.264 116.805 114.554 -0.022 0.000 2.867 294 T HA 0.294 4.648 4.350 0.006 0.000 0.282 294 T C -0.130 174.559 174.700 -0.019 0.000 1.000 294 T CA -0.429 61.663 62.100 -0.013 0.000 1.042 294 T CB 0.844 69.706 68.868 -0.010 0.000 0.973 294 T HN 0.763 nan 8.240 nan 0.000 0.465 295 T N 2.578 117.126 114.554 -0.011 0.000 2.933 295 T HA 0.144 4.498 4.350 0.006 0.000 0.306 295 T C 0.523 175.213 174.700 -0.016 0.000 1.045 295 T CA -0.484 61.610 62.100 -0.010 0.000 1.143 295 T CB 0.339 69.204 68.868 -0.005 0.000 1.003 295 T HN 0.639 nan 8.240 nan 0.000 0.540 296 S N 1.856 117.545 115.700 -0.018 0.000 2.474 296 S HA 0.288 4.761 4.470 0.006 0.000 0.276 296 S C 1.074 175.664 174.600 -0.018 0.000 1.227 296 S CA -0.447 57.737 58.200 -0.025 0.000 1.050 296 S CB 0.060 63.242 63.200 -0.030 0.000 0.939 296 S HN 1.037 nan 8.310 nan 0.000 0.490 297 V N 3.818 123.721 119.914 -0.018 0.000 3.661 297 V HA 0.425 4.548 4.120 0.006 0.000 0.271 297 V C 0.439 176.527 176.094 -0.011 0.000 1.315 297 V CA 0.389 62.682 62.300 -0.012 0.000 1.072 297 V CB -0.549 31.269 31.823 -0.009 0.000 0.830 297 V HN 0.868 nan 8.190 nan 0.000 0.443 298 I N -0.649 119.910 120.570 -0.018 0.000 2.948 298 I HA 0.557 4.731 4.170 0.006 0.000 0.308 298 I C -2.843 173.257 176.117 -0.029 0.000 1.478 298 I CA -1.983 59.307 61.300 -0.017 0.000 0.843 298 I CB 1.260 39.252 38.000 -0.015 0.000 2.100 298 I HN -0.044 nan 8.210 nan 0.000 0.625 299 P HA 0.020 nan 4.420 nan 0.000 0.272 299 P C -0.202 177.073 177.300 -0.042 0.000 1.230 299 P CA -0.258 62.819 63.100 -0.039 0.000 0.788 299 P CB 1.488 33.174 31.700 -0.023 0.000 0.949 300 L N 3.545 124.726 121.223 -0.070 0.000 2.462 300 L HA 0.181 4.525 4.340 0.006 0.000 0.272 300 L C -0.565 176.289 176.870 -0.027 0.000 1.166 300 L CA 0.376 55.168 54.840 -0.081 0.000 0.880 300 L CB -0.678 41.270 42.059 -0.184 0.000 1.142 300 L HN 0.225 nan 8.230 nan 0.000 0.473 301 I N 5.294 125.859 120.570 -0.008 0.000 2.436 301 I HA 0.178 4.352 4.170 0.006 0.000 0.289 301 I C 1.104 177.232 176.117 0.018 0.000 1.010 301 I CA -0.343 60.966 61.300 0.016 0.000 1.098 301 I CB 1.571 39.578 38.000 0.012 0.000 1.266 301 I HN 0.699 nan 8.210 nan 0.000 0.434 302 E N 3.138 123.364 120.200 0.042 0.000 2.153 302 E HA -0.209 4.145 4.350 0.006 0.000 0.194 302 E C 1.512 178.096 176.600 -0.026 0.000 0.988 302 E CA 1.897 58.321 56.400 0.040 0.000 0.811 302 E CB 0.442 30.184 29.700 0.070 0.000 0.746 302 E HN 0.808 nan 8.360 nan 0.000 0.466 303 T N -1.364 113.169 114.554 -0.035 0.000 3.113 303 T HA -0.009 4.344 4.350 0.006 0.000 0.263 303 T C 1.250 175.882 174.700 -0.114 0.000 1.143 303 T CA 0.605 62.665 62.100 -0.066 0.000 1.090 303 T CB -0.091 68.762 68.868 -0.025 0.000 0.922 303 T HN 0.023 nan 8.240 nan 0.000 0.521 304 N N 0.639 119.287 118.700 -0.086 0.000 2.353 304 N HA 0.266 5.010 4.740 0.006 0.000 0.185 304 N C 0.039 175.444 175.510 -0.174 0.000 1.098 304 N CA 0.053 53.071 53.050 -0.054 0.000 0.872 304 N CB -0.001 38.500 38.487 0.023 0.000 0.970 304 N HN 0.469 nan 8.380 nan 0.000 0.467 305 L N 0.852 121.924 121.223 -0.251 0.000 2.326 305 L HA 0.256 4.600 4.340 0.006 0.000 0.278 305 L C -0.408 176.188 176.870 -0.458 0.000 1.092 305 L CA -0.121 54.607 54.840 -0.187 0.000 0.810 305 L CB 0.562 42.608 42.059 -0.021 0.000 1.153 305 L HN 0.091 nan 8.230 nan 0.000 0.439 306 H N 2.110 121.247 119.070 0.112 0.000 2.806 306 H HA 0.370 4.929 4.556 0.006 0.000 0.367 306 H C -2.477 172.924 175.328 0.121 0.000 1.136 306 H CA -1.752 54.365 56.048 0.116 0.000 1.178 306 H CB 1.928 31.747 29.762 0.095 0.000 1.718 306 H HN 0.356 nan 8.280 nan 0.000 0.540 307 P HA -0.058 nan 4.420 nan 0.000 0.271 307 P C 0.506 177.885 177.300 0.132 0.000 1.218 307 P CA -0.283 62.909 63.100 0.154 0.000 0.780 307 P CB 0.984 32.746 31.700 0.103 0.000 0.901 308 L N 3.246 124.531 121.223 0.104 0.000 2.027 308 L HA 0.050 4.394 4.340 0.006 0.000 0.206 308 L C 0.858 177.744 176.870 0.026 0.000 1.074 308 L CA 1.668 56.547 54.840 0.065 0.000 0.745 308 L CB -1.048 41.015 42.059 0.007 0.000 0.898 308 L HN 0.355 nan 8.230 nan 0.000 0.433 309 A N -0.520 122.305 122.820 0.007 0.000 2.295 309 A HA 0.522 4.846 4.320 0.006 0.000 0.318 309 A C -0.202 177.379 177.584 -0.005 0.000 1.134 309 A CA -0.612 51.420 52.037 -0.008 0.000 0.827 309 A CB 0.381 19.366 19.000 -0.024 0.000 1.136 309 A HN 0.257 nan 8.150 nan 0.000 0.493 310 R N 0.865 121.364 120.500 -0.002 0.000 2.522 310 R HA 0.314 4.658 4.340 0.006 0.000 0.284 310 R C -0.652 175.626 176.300 -0.037 0.000 1.032 310 R CA 1.030 57.133 56.100 0.005 0.000 1.049 310 R CB -0.271 30.038 30.300 0.014 0.000 0.956 310 R HN 0.638 nan 8.270 nan 0.000 0.422 311 M N 7.685 127.259 119.600 -0.043 0.000 2.126 311 M HA 0.297 4.781 4.480 0.006 0.000 0.217 311 M C -2.155 174.171 176.300 0.043 0.000 0.873 311 M CA -1.985 53.204 55.300 -0.185 0.000 0.707 311 M CB 1.877 34.102 32.600 -0.626 0.000 1.515 311 M HN 0.441 nan 8.290 nan 0.000 0.369 312 P HA 0.045 nan 4.420 nan 0.000 0.266 312 P C -0.336 177.144 177.300 0.300 0.000 1.195 312 P CA -0.187 63.016 63.100 0.173 0.000 0.768 312 P CB 0.529 32.294 31.700 0.110 0.000 0.838 313 V N 5.421 125.509 119.914 0.291 0.000 2.555 313 V HA 0.148 4.272 4.120 0.006 0.000 0.286 313 V C -1.709 174.501 176.094 0.193 0.000 1.044 313 V CA -1.171 61.297 62.300 0.279 0.000 1.026 313 V CB 0.095 32.065 31.823 0.245 0.000 0.981 313 V HN 0.601 nan 8.190 nan 0.000 0.480 314 P HA 0.455 nan 4.420 nan 0.000 0.271 314 P C 0.315 177.642 177.300 0.045 0.000 1.216 314 P CA 0.885 64.038 63.100 0.089 0.000 0.776 314 P CB 0.675 32.412 31.700 0.062 0.000 0.881 315 G N 1.694 110.502 108.800 0.013 0.000 2.685 315 G HA2 0.017 3.981 3.960 0.006 0.000 0.387 315 G HA3 0.017 3.981 3.960 0.006 0.000 0.387 315 G C -0.355 174.518 174.900 -0.045 0.000 1.324 315 G CA -0.271 44.815 45.100 -0.024 0.000 0.878 315 G HN 0.812 nan 8.290 nan 0.000 0.527 316 S N 0.253 115.896 115.700 -0.096 0.000 2.610 316 S HA 0.697 5.170 4.470 0.006 0.000 0.273 316 S C -1.707 172.706 174.600 -0.312 0.000 1.274 316 S CA -0.501 57.611 58.200 -0.147 0.000 1.023 316 S CB 2.059 65.180 63.200 -0.132 0.000 0.962 316 S HN 0.807 nan 8.310 nan 0.000 0.523 317 P HA 0.207 nan 4.420 nan 0.000 0.232 317 P C -0.382 176.271 177.300 -1.077 0.000 1.738 317 P CA 0.229 62.809 63.100 -0.866 0.000 0.948 317 P CB -0.646 30.864 31.700 -0.317 0.000 1.943 318 T N 0.446 114.443 114.554 -0.928 0.000 2.889 318 T HA 0.467 4.821 4.350 0.006 0.000 0.315 318 T C -3.138 171.373 174.700 -0.314 0.000 1.291 318 T CA -2.261 59.536 62.100 -0.504 0.000 1.028 318 T CB 1.341 70.046 68.868 -0.272 0.000 1.235 318 T HN -0.234 nan 8.240 nan 0.000 0.491 319 P HA 0.295 nan 4.420 nan 0.000 0.264 319 P C 0.840 178.084 177.300 -0.093 0.000 1.193 319 P CA 1.147 64.177 63.100 -0.116 0.000 0.763 319 P CB 0.278 31.863 31.700 -0.192 0.000 0.810 320 G N 2.720 111.486 108.800 -0.056 0.000 2.155 320 G HA2 -0.225 3.739 3.960 0.006 0.000 0.257 320 G HA3 -0.225 3.739 3.960 0.006 0.000 0.257 320 G C 0.743 175.599 174.900 -0.074 0.000 0.983 320 G CA -0.049 45.016 45.100 -0.058 0.000 0.676 320 G HN 0.858 nan 8.290 nan 0.000 0.528 321 G N -0.058 108.684 108.800 -0.097 0.000 3.316 321 G HA2 0.624 4.587 3.960 0.006 0.000 0.255 321 G HA3 0.624 4.587 3.960 0.006 0.000 0.255 321 G C 0.376 175.223 174.900 -0.089 0.000 0.880 321 G CA 0.726 45.760 45.100 -0.109 0.000 1.956 321 G HN 1.680 nan 8.290 nan 0.000 0.634 322 V N -3.217 116.651 119.914 -0.077 0.000 3.165 322 V HA 0.521 4.645 4.120 0.006 0.000 0.309 322 V C 0.326 176.374 176.094 -0.078 0.000 1.267 322 V CA -0.897 61.353 62.300 -0.082 0.000 1.067 322 V CB 1.625 33.387 31.823 -0.103 0.000 1.082 322 V HN 0.071 nan 8.190 nan 0.000 0.451 323 D N 0.219 120.567 120.400 -0.086 0.000 2.183 323 D HA 0.061 4.704 4.640 0.006 0.000 0.203 323 D C 0.499 176.755 176.300 -0.074 0.000 0.969 323 D CA 1.736 55.693 54.000 -0.071 0.000 0.842 323 D CB 0.304 41.062 40.800 -0.071 0.000 0.957 323 D HN 0.617 nan 8.370 nan 0.000 0.484 324 K N -0.093 120.243 120.400 -0.107 0.000 2.581 324 K HA 0.550 4.873 4.320 0.006 0.000 0.249 324 K C -1.795 174.739 176.600 -0.110 0.000 0.966 324 K CA -0.486 55.745 56.287 -0.093 0.000 0.811 324 K CB 2.099 34.537 32.500 -0.102 0.000 1.223 324 K HN -0.118 nan 8.250 nan 0.000 0.438 325 A N 4.106 126.886 122.820 -0.068 0.000 2.330 325 A HA 0.825 5.149 4.320 0.006 0.000 0.327 325 A C -1.610 175.954 177.584 -0.032 0.000 1.155 325 A CA -0.620 51.380 52.037 -0.062 0.000 0.803 325 A CB 0.638 19.610 19.000 -0.047 0.000 1.208 325 A HN 0.513 nan 8.150 nan 0.000 0.477 326 L N 2.322 123.525 121.223 -0.033 0.000 2.410 326 L HA 0.433 4.776 4.340 0.006 0.000 0.270 326 L C -0.063 176.790 176.870 -0.029 0.000 0.983 326 L CA -0.215 54.622 54.840 -0.005 0.000 0.822 326 L CB 2.085 44.151 42.059 0.012 0.000 1.285 326 L HN 0.837 nan 8.230 nan 0.000 0.409 327 N N 3.970 122.654 118.700 -0.027 0.000 2.400 327 N HA 0.482 5.226 4.740 0.006 0.000 0.288 327 N C -1.481 173.978 175.510 -0.084 0.000 1.024 327 N CA -0.503 52.505 53.050 -0.069 0.000 0.894 327 N CB 1.224 39.675 38.487 -0.059 0.000 1.173 327 N HN 0.542 nan 8.380 nan 0.000 0.487 328 L N 2.797 123.916 121.223 -0.173 0.000 2.262 328 L HA 0.457 4.800 4.340 0.006 0.000 0.288 328 L C 0.293 176.949 176.870 -0.355 0.000 1.035 328 L CA -0.791 53.944 54.840 -0.175 0.000 0.820 328 L CB 1.365 43.335 42.059 -0.147 0.000 1.204 328 L HN 0.512 nan 8.230 nan 0.000 0.424 329 A N 4.385 127.132 122.820 -0.121 0.000 2.269 329 A HA 0.684 5.007 4.320 0.006 0.000 0.302 329 A C -0.595 177.077 177.584 0.146 0.000 1.266 329 A CA -0.335 51.639 52.037 -0.106 0.000 0.894 329 A CB 0.050 19.054 19.000 0.007 0.000 1.147 329 A HN 0.441 nan 8.150 nan 0.000 0.537 330 F N 1.318 121.374 119.950 0.177 0.000 2.378 330 F HA 0.558 5.089 4.527 0.006 0.000 0.325 330 F C 0.760 176.691 175.800 0.217 0.000 1.097 330 F CA -0.965 57.217 58.000 0.302 0.000 1.079 330 F CB 1.109 40.327 39.000 0.364 0.000 1.240 330 F HN 0.752 nan 8.300 nan 0.000 0.519 331 N N -0.322 118.652 118.700 0.457 0.000 2.927 331 N HA 0.609 5.353 4.740 0.006 0.000 0.248 331 N C -2.299 173.386 175.510 0.292 0.000 1.443 331 N CA -0.582 52.630 53.050 0.269 0.000 0.870 331 N CB 1.943 40.499 38.487 0.115 0.000 1.444 331 N HN 0.399 nan 8.380 nan 0.000 0.519 332 F N 1.861 121.775 119.950 -0.059 0.000 2.615 332 F HA 0.386 4.916 4.527 0.006 0.000 0.312 332 F C -1.095 174.619 175.800 -0.143 0.000 1.119 332 F CA -0.766 57.077 58.000 -0.261 0.000 0.979 332 F CB 1.339 39.961 39.000 -0.632 0.000 1.266 332 F HN 0.565 nan 8.300 nan 0.000 0.444 333 N N 2.824 121.133 118.700 -0.653 0.000 2.282 333 N HA 0.387 5.131 4.740 0.006 0.000 0.240 333 N C 0.806 175.945 175.510 -0.618 0.000 1.182 333 N CA 0.313 53.084 53.050 -0.466 0.000 0.874 333 N CB 0.966 39.349 38.487 -0.173 0.000 1.126 333 N HN 1.143 nan 8.380 nan 0.000 0.516 334 G N 0.000 108.059 108.800 -1.236 0.000 2.349 334 G HA2 -0.335 3.629 3.960 0.006 0.000 0.213 334 G HA3 -0.335 3.629 3.960 0.006 0.000 0.213 334 G C 0.893 175.493 174.900 -0.499 0.000 1.044 334 G CA 0.705 45.412 45.100 -0.655 0.000 0.633 334 G HN 0.689 nan 8.290 nan 0.000 0.506 335 T N -2.770 111.490 114.554 -0.489 0.000 2.980 335 T HA 0.367 4.721 4.350 0.006 0.000 0.252 335 T C 0.462 175.169 174.700 0.012 0.000 0.962 335 T CA 0.714 62.770 62.100 -0.074 0.000 0.932 335 T CB 0.510 69.350 68.868 -0.047 0.000 1.188 335 T HN 0.440 nan 8.240 nan 0.000 0.500 336 N N 0.260 118.820 118.700 -0.234 0.000 2.240 336 N HA 0.561 5.305 4.740 0.006 0.000 0.302 336 N C -1.860 173.518 175.510 -0.221 0.000 1.106 336 N CA -0.491 52.490 53.050 -0.115 0.000 0.778 336 N CB 2.134 40.480 38.487 -0.234 0.000 1.431 336 N HN 0.075 nan 8.380 nan 0.000 0.479 337 F N 0.890 120.813 119.950 -0.044 0.000 2.399 337 F HA 0.547 5.077 4.527 0.006 0.000 0.328 337 F C -0.163 175.506 175.800 -0.217 0.000 1.084 337 F CA -0.270 57.670 58.000 -0.100 0.000 1.053 337 F CB 0.868 39.556 39.000 -0.520 0.000 1.209 337 F HN 0.303 nan 8.300 nan 0.000 0.502 338 F N 2.100 122.209 119.950 0.264 0.000 2.588 338 F HA 0.619 5.150 4.527 0.006 0.000 0.310 338 F C -0.619 175.459 175.800 0.463 0.000 1.082 338 F CA -1.037 57.150 58.000 0.312 0.000 0.929 338 F CB 1.749 40.865 39.000 0.193 0.000 1.254 338 F HN 0.082 nan 8.300 nan 0.000 0.455 339 I N 2.755 123.692 120.570 0.611 0.000 2.439 339 I HA 0.280 4.453 4.170 0.006 0.000 0.285 339 I C -0.689 175.687 176.117 0.432 0.000 1.021 339 I CA -0.792 60.845 61.300 0.562 0.000 1.091 339 I CB 1.389 39.675 38.000 0.476 0.000 1.242 339 I HN 0.598 nan 8.210 nan 0.000 0.439 340 N N 5.395 124.303 118.700 0.348 0.000 2.727 340 N HA -0.227 4.516 4.740 0.006 0.000 0.249 340 N C 0.023 175.693 175.510 0.266 0.000 1.048 340 N CA 0.819 54.030 53.050 0.269 0.000 0.714 340 N CB -1.097 37.571 38.487 0.301 0.000 0.959 340 N HN 0.790 nan 8.380 nan 0.000 0.544 341 N N -3.600 115.268 118.700 0.281 0.000 2.800 341 N HA -0.201 4.543 4.740 0.006 0.000 0.250 341 N C -0.284 175.484 175.510 0.431 0.000 1.078 341 N CA 1.439 54.639 53.050 0.251 0.000 0.804 341 N CB -1.316 37.241 38.487 0.117 0.000 1.135 341 N HN 0.768 nan 8.380 nan 0.000 0.565 342 A N -0.477 122.644 122.820 0.502 0.000 2.393 342 A HA 0.715 5.039 4.320 0.006 0.000 0.306 342 A C -0.141 177.605 177.584 0.271 0.000 1.050 342 A CA -0.238 52.032 52.037 0.389 0.000 0.724 342 A CB 1.915 21.079 19.000 0.273 0.000 1.248 342 A HN 0.111 nan 8.150 nan 0.000 0.424 343 S N 1.693 117.386 115.700 -0.012 0.000 2.437 343 S HA 0.596 5.069 4.470 0.006 0.000 0.305 343 S C -0.672 173.943 174.600 0.025 0.000 1.109 343 S CA -0.418 57.635 58.200 -0.246 0.000 1.099 343 S CB 0.113 62.820 63.200 -0.821 0.000 1.004 343 S HN 0.691 nan 8.310 nan 0.000 0.475 344 F N 4.584 124.555 119.950 0.035 0.000 2.495 344 F HA 0.410 4.941 4.527 0.006 0.000 0.365 344 F C 0.335 176.172 175.800 0.061 0.000 1.090 344 F CA 0.558 58.612 58.000 0.090 0.000 1.235 344 F CB 0.716 39.821 39.000 0.174 0.000 1.119 344 F HN 0.452 nan 8.300 nan 0.000 0.562 345 T N 7.817 121.991 114.554 -0.635 0.000 2.937 345 T HA 0.299 4.652 4.350 0.006 0.000 0.297 345 T C -2.708 171.574 174.700 -0.698 0.000 0.991 345 T CA -1.312 60.533 62.100 -0.426 0.000 0.990 345 T CB 1.623 70.352 68.868 -0.231 0.000 0.991 345 T HN 0.277 nan 8.240 nan 0.000 0.440 346 P HA 0.145 nan 4.420 nan 0.000 0.261 346 P C -2.445 174.645 177.300 -0.350 0.000 1.183 346 P CA -1.007 61.933 63.100 -0.268 0.000 0.761 346 P CB -0.361 31.299 31.700 -0.066 0.000 0.785 347 P HA 0.033 nan 4.420 nan 0.000 0.276 347 P C 0.945 178.118 177.300 -0.212 0.000 1.252 347 P CA -0.091 62.893 63.100 -0.193 0.000 0.802 347 P CB 0.486 32.132 31.700 -0.091 0.000 1.035 348 T N -2.333 112.130 114.554 -0.153 0.000 2.904 348 T HA 0.034 4.388 4.350 0.006 0.000 0.267 348 T C 0.852 175.568 174.700 0.026 0.000 1.059 348 T CA 0.627 62.655 62.100 -0.120 0.000 1.137 348 T CB -0.478 68.345 68.868 -0.076 0.000 0.879 348 T HN 0.163 nan 8.240 nan 0.000 0.467 349 V N 3.799 123.733 119.914 0.034 0.000 2.398 349 V HA 0.405 4.529 4.120 0.006 0.000 0.286 349 V C -2.498 173.655 176.094 0.097 0.000 1.026 349 V CA -2.526 59.813 62.300 0.066 0.000 0.868 349 V CB 1.391 33.234 31.823 0.033 0.000 0.982 349 V HN 0.174 nan 8.190 nan 0.000 0.443 350 P HA 0.028 nan 4.420 nan 0.000 0.264 350 P C 1.123 178.477 177.300 0.089 0.000 1.183 350 P CA 0.192 63.357 63.100 0.109 0.000 0.763 350 P CB 0.642 32.376 31.700 0.057 0.000 0.807 351 V N 3.369 123.318 119.914 0.058 0.000 2.380 351 V HA -0.251 3.873 4.120 0.006 0.000 0.251 351 V C 2.163 178.281 176.094 0.041 0.000 1.063 351 V CA 1.890 64.212 62.300 0.036 0.000 1.055 351 V CB -1.108 30.714 31.823 -0.002 0.000 0.657 351 V HN 0.538 nan 8.190 nan 0.000 0.455 352 L N -0.339 120.917 121.223 0.055 0.000 2.083 352 L HA -0.102 4.242 4.340 0.006 0.000 0.209 352 L C 2.132 179.097 176.870 0.159 0.000 1.083 352 L CA 1.818 56.695 54.840 0.063 0.000 0.752 352 L CB -0.652 41.451 42.059 0.073 0.000 0.899 352 L HN 0.282 nan 8.230 nan 0.000 0.433 353 L N -0.575 120.808 121.223 0.266 0.000 2.141 353 L HA -0.166 4.178 4.340 0.006 0.000 0.209 353 L C 2.454 179.403 176.870 0.131 0.000 1.094 353 L CA 1.618 56.618 54.840 0.267 0.000 0.763 353 L CB -0.744 41.430 42.059 0.192 0.000 0.908 353 L HN 0.447 nan 8.230 nan 0.000 0.437 354 Q N -0.589 119.265 119.800 0.091 0.000 2.061 354 Q HA -0.221 4.123 4.340 0.006 0.000 0.204 354 Q C 2.276 178.307 176.000 0.052 0.000 0.984 354 Q CA 2.176 58.014 55.803 0.058 0.000 0.846 354 Q CB -0.255 28.509 28.738 0.044 0.000 0.902 354 Q HN 0.544 nan 8.270 nan 0.000 0.421 355 I N 0.665 121.263 120.570 0.048 0.000 2.226 355 I HA -0.288 3.886 4.170 0.006 0.000 0.245 355 I C 2.108 178.248 176.117 0.038 0.000 1.100 355 I CA 1.107 62.428 61.300 0.034 0.000 1.374 355 I CB -0.252 37.758 38.000 0.016 0.000 1.057 355 I HN 0.216 nan 8.210 nan 0.000 0.413 356 L N -0.302 120.953 121.223 0.054 0.000 2.275 356 L HA -0.120 4.224 4.340 0.006 0.000 0.215 356 L C 2.145 179.049 176.870 0.057 0.000 1.119 356 L CA 0.824 55.697 54.840 0.055 0.000 0.790 356 L CB -0.458 41.651 42.059 0.084 0.000 0.919 356 L HN 0.141 nan 8.230 nan 0.000 0.443 357 S N -0.579 115.156 115.700 0.059 0.000 2.593 357 S HA 0.214 4.687 4.470 0.006 0.000 0.217 357 S C 1.415 176.035 174.600 0.034 0.000 0.966 357 S CA 0.711 58.939 58.200 0.046 0.000 0.914 357 S CB 0.565 63.793 63.200 0.046 0.000 0.776 357 S HN 0.666 nan 8.310 nan 0.000 0.523 358 G N 0.871 109.690 108.800 0.032 0.000 2.229 358 G HA2 -0.109 3.855 3.960 0.006 0.000 0.189 358 G HA3 -0.109 3.855 3.960 0.006 0.000 0.189 358 G C 0.145 175.060 174.900 0.025 0.000 1.000 358 G CA -0.336 44.780 45.100 0.026 0.000 0.663 358 G HN 0.730 nan 8.290 nan 0.000 0.493 359 A N 0.229 123.065 122.820 0.027 0.000 2.451 359 A HA 0.683 5.007 4.320 0.006 0.000 0.266 359 A C 0.940 178.541 177.584 0.028 0.000 1.119 359 A CA 1.129 53.181 52.037 0.026 0.000 0.786 359 A CB 0.339 19.355 19.000 0.026 0.000 1.061 359 A HN 0.504 nan 8.150 nan 0.000 0.503 360 Q N 0.925 120.741 119.800 0.027 0.000 2.288 360 Q HA 0.098 4.441 4.340 0.006 0.000 0.256 360 Q C 0.645 176.665 176.000 0.034 0.000 0.835 360 Q CA 0.778 56.600 55.803 0.031 0.000 0.958 360 Q CB 0.759 29.514 28.738 0.028 0.000 1.125 360 Q HN 0.896 nan 8.270 nan 0.000 0.513 361 T N -3.361 111.210 114.554 0.028 0.000 2.938 361 T HA 0.665 5.018 4.350 0.006 0.000 0.285 361 T C 1.055 175.768 174.700 0.021 0.000 1.028 361 T CA -0.209 61.907 62.100 0.027 0.000 1.005 361 T CB 1.612 70.492 68.868 0.019 0.000 1.157 361 T HN 0.007 nan 8.240 nan 0.000 0.550 362 A N 0.519 123.346 122.820 0.011 0.000 1.940 362 A HA -0.111 4.213 4.320 0.006 0.000 0.219 362 A C 2.305 179.879 177.584 -0.015 0.000 1.176 362 A CA 1.845 53.874 52.037 -0.012 0.000 0.631 362 A CB -1.096 17.873 19.000 -0.051 0.000 0.814 362 A HN 0.964 nan 8.150 nan 0.000 0.446 363 Q N -1.516 118.279 119.800 -0.009 0.000 2.451 363 Q HA -0.011 4.333 4.340 0.006 0.000 0.206 363 Q C 0.401 176.401 176.000 -0.001 0.000 0.947 363 Q CA 0.957 56.755 55.803 -0.007 0.000 0.937 363 Q CB -0.049 28.685 28.738 -0.006 0.000 1.025 363 Q HN 0.437 nan 8.270 nan 0.000 0.511 364 D N 0.976 121.379 120.400 0.005 0.000 2.240 364 D HA 0.131 4.775 4.640 0.006 0.000 0.206 364 D C 0.306 176.612 176.300 0.011 0.000 0.963 364 D CA 0.383 54.389 54.000 0.009 0.000 0.863 364 D CB 0.359 41.168 40.800 0.015 0.000 0.973 364 D HN 0.199 nan 8.370 nan 0.000 0.501 365 L N 1.134 122.365 121.223 0.015 0.000 2.350 365 L HA 0.326 4.669 4.340 0.006 0.000 0.275 365 L C -0.014 176.865 176.870 0.014 0.000 1.099 365 L CA -0.362 54.491 54.840 0.021 0.000 0.808 365 L CB 1.236 43.317 42.059 0.037 0.000 1.149 365 L HN -0.235 nan 8.230 nan 0.000 0.442 366 L N 4.004 125.234 121.223 0.011 0.000 2.342 366 L HA 0.587 4.930 4.340 0.006 0.000 0.271 366 L C -2.253 174.612 176.870 -0.010 0.000 1.008 366 L CA -1.942 52.891 54.840 -0.012 0.000 0.818 366 L CB 2.048 44.089 42.059 -0.030 0.000 1.296 366 L HN 0.377 nan 8.230 nan 0.000 0.427 367 P HA 0.169 nan 4.420 nan 0.000 0.278 367 P C -0.874 176.415 177.300 -0.018 0.000 1.238 367 P CA -0.464 62.585 63.100 -0.085 0.000 0.794 367 P CB 1.158 32.730 31.700 -0.214 0.000 0.955 368 A N 2.031 124.839 122.820 -0.020 0.000 2.520 368 A HA 0.439 4.763 4.320 0.006 0.000 0.245 368 A C 1.490 179.082 177.584 0.012 0.000 1.072 368 A CA 0.800 52.834 52.037 -0.006 0.000 0.761 368 A CB -1.447 17.549 19.000 -0.008 0.000 1.004 368 A HN 0.886 nan 8.150 nan 0.000 0.499 369 G N 1.397 110.195 108.800 -0.004 0.000 2.217 369 G HA2 -0.247 3.716 3.960 0.006 0.000 0.246 369 G HA3 -0.247 3.716 3.960 0.006 0.000 0.246 369 G C 0.937 175.872 174.900 0.058 0.000 0.990 369 G CA 0.718 45.822 45.100 0.006 0.000 0.627 369 G HN 1.201 nan 8.290 nan 0.000 0.522 370 S N -0.739 115.032 115.700 0.118 0.000 2.559 370 S HA 0.462 4.936 4.470 0.006 0.000 0.226 370 S C 0.403 175.194 174.600 0.319 0.000 1.000 370 S CA 0.527 58.904 58.200 0.295 0.000 0.948 370 S CB 1.255 64.690 63.200 0.390 0.000 0.870 370 S HN 0.548 nan 8.310 nan 0.000 0.497 371 V N 2.707 122.710 119.914 0.148 0.000 2.384 371 V HA 0.445 4.568 4.120 0.006 0.000 0.287 371 V C -1.424 174.728 176.094 0.097 0.000 1.020 371 V CA -0.663 61.747 62.300 0.184 0.000 0.850 371 V CB 0.623 32.524 31.823 0.131 0.000 0.987 371 V HN 0.285 nan 8.190 nan 0.000 0.436 372 Y N 5.714 126.121 120.300 0.179 0.000 2.356 372 Y HA 0.507 5.060 4.550 0.006 0.000 0.334 372 Y C -2.382 173.688 175.900 0.284 0.000 0.958 372 Y CA -3.196 55.050 58.100 0.244 0.000 1.196 372 Y CB 1.607 40.288 38.460 0.368 0.000 1.137 372 Y HN 0.470 nan 8.280 nan 0.000 0.485 373 P HA 0.226 nan 4.420 nan 0.000 0.271 373 P C -0.758 176.672 177.300 0.217 0.000 1.216 373 P CA -0.005 63.228 63.100 0.221 0.000 0.776 373 P CB 0.896 32.674 31.700 0.130 0.000 0.881 374 L N 4.629 125.950 121.223 0.163 0.000 2.362 374 L HA 0.524 4.868 4.340 0.006 0.000 0.271 374 L C -2.192 174.699 176.870 0.035 0.000 1.002 374 L CA -2.560 52.321 54.840 0.068 0.000 0.818 374 L CB 2.302 44.357 42.059 -0.008 0.000 1.298 374 L HN 0.202 nan 8.230 nan 0.000 0.420 375 P HA 0.148 nan 4.420 nan 0.000 0.272 375 P C -0.701 176.571 177.300 -0.047 0.000 1.223 375 P CA -0.353 62.742 63.100 -0.009 0.000 0.784 375 P CB 1.017 32.711 31.700 -0.010 0.000 0.923 376 A N 2.606 125.386 122.820 -0.066 0.000 2.386 376 A HA 0.178 4.502 4.320 0.006 0.000 0.248 376 A C 0.512 177.980 177.584 -0.193 0.000 1.082 376 A CA -0.259 51.636 52.037 -0.237 0.000 0.789 376 A CB -0.805 18.032 19.000 -0.272 0.000 1.025 376 A HN 0.796 nan 8.150 nan 0.000 0.490 377 H N -0.194 118.896 119.070 0.032 0.000 2.557 377 H HA -0.131 4.429 4.556 0.006 0.000 0.319 377 H C -0.049 175.270 175.328 -0.014 0.000 1.102 377 H CA 0.962 57.020 56.048 0.016 0.000 1.126 377 H CB -2.028 27.746 29.762 0.021 0.000 1.498 377 H HN 0.527 nan 8.280 nan 0.000 0.411 378 S N 0.095 115.790 115.700 -0.009 0.000 2.677 378 S HA 0.552 5.025 4.470 0.006 0.000 0.304 378 S C 0.511 175.031 174.600 -0.132 0.000 1.108 378 S CA -0.415 57.751 58.200 -0.056 0.000 0.944 378 S CB 2.663 65.811 63.200 -0.086 0.000 1.127 378 S HN 0.452 nan 8.310 nan 0.000 0.511 379 T N 0.101 114.571 114.554 -0.140 0.000 2.799 379 T HA 0.696 5.050 4.350 0.006 0.000 0.286 379 T C -0.495 174.033 174.700 -0.288 0.000 0.973 379 T CA -0.635 61.348 62.100 -0.195 0.000 1.035 379 T CB 0.101 68.903 68.868 -0.110 0.000 0.932 379 T HN 0.326 nan 8.240 nan 0.000 0.469 380 I N 2.180 122.464 120.570 -0.476 0.000 2.509 380 I HA 0.512 4.686 4.170 0.006 0.000 0.293 380 I C 0.018 175.887 176.117 -0.413 0.000 1.020 380 I CA -0.915 60.045 61.300 -0.567 0.000 1.088 380 I CB 1.759 39.063 38.000 -1.161 0.000 1.267 380 I HN 0.892 nan 8.210 nan 0.000 0.430 381 E N 6.258 126.310 120.200 -0.247 0.000 2.199 381 E HA 0.650 5.004 4.350 0.006 0.000 0.265 381 E C -1.589 174.951 176.600 -0.100 0.000 0.882 381 E CA -0.513 55.810 56.400 -0.129 0.000 0.759 381 E CB 1.969 31.632 29.700 -0.061 0.000 1.148 381 E HN 0.512 nan 8.360 nan 0.000 0.412 382 I N 3.667 124.197 120.570 -0.066 0.000 2.436 382 I HA 0.295 4.469 4.170 0.006 0.000 0.289 382 I C -0.291 175.776 176.117 -0.084 0.000 1.010 382 I CA -0.794 60.474 61.300 -0.054 0.000 1.098 382 I CB 2.089 40.085 38.000 -0.006 0.000 1.266 382 I HN 0.514 nan 8.210 nan 0.000 0.434 383 T N 4.093 118.591 114.554 -0.095 0.000 2.824 383 T HA 0.715 5.069 4.350 0.006 0.000 0.280 383 T C -0.444 174.132 174.700 -0.207 0.000 0.995 383 T CA -0.693 61.337 62.100 -0.116 0.000 1.009 383 T CB 1.728 70.552 68.868 -0.073 0.000 0.955 383 T HN 0.334 nan 8.240 nan 0.000 0.452 384 L N 3.588 124.664 121.223 -0.245 0.000 2.594 384 L HA 0.354 4.698 4.340 0.006 0.000 0.245 384 L C -2.373 174.289 176.870 -0.347 0.000 1.460 384 L CA -1.711 52.899 54.840 -0.383 0.000 0.865 384 L CB 1.026 42.896 42.059 -0.315 0.000 1.131 384 L HN 0.493 nan 8.230 nan 0.000 0.506 385 P HA 0.059 nan 4.420 nan 0.000 0.264 385 P C 0.045 177.251 177.300 -0.157 0.000 1.193 385 P CA 0.114 63.080 63.100 -0.223 0.000 0.763 385 P CB 1.013 32.598 31.700 -0.191 0.000 0.810 386 A N 3.349 126.174 122.820 0.009 0.000 2.445 386 A HA 0.482 4.805 4.320 0.006 0.000 0.242 386 A C 0.566 178.218 177.584 0.113 0.000 1.075 386 A CA 0.415 52.537 52.037 0.142 0.000 0.777 386 A CB -0.189 18.885 19.000 0.124 0.000 1.013 386 A HN 0.611 nan 8.150 nan 0.000 0.493 387 T N -0.423 114.250 114.554 0.198 0.000 2.932 387 T HA 0.505 4.859 4.350 0.006 0.000 0.318 387 T C 0.646 175.434 174.700 0.148 0.000 1.265 387 T CA 0.256 62.438 62.100 0.137 0.000 1.036 387 T CB 1.225 70.165 68.868 0.120 0.000 1.209 387 T HN 1.480 nan 8.240 nan 0.000 0.484 388 A N 2.840 125.716 122.820 0.092 0.000 2.121 388 A HA 0.205 4.529 4.320 0.006 0.000 0.218 388 A C 1.982 179.610 177.584 0.073 0.000 1.154 388 A CA 0.929 53.008 52.037 0.070 0.000 0.679 388 A CB -0.705 18.320 19.000 0.041 0.000 0.795 388 A HN 0.807 nan 8.150 nan 0.000 0.458 389 L N -1.129 120.152 121.223 0.096 0.000 2.622 389 L HA 0.075 4.419 4.340 0.006 0.000 0.233 389 L C 1.102 178.049 176.870 0.127 0.000 1.156 389 L CA 0.473 55.374 54.840 0.101 0.000 0.866 389 L CB -0.264 41.856 42.059 0.102 0.000 0.980 389 L HN 0.384 nan 8.230 nan 0.000 0.448 390 A N 0.272 123.180 122.820 0.146 0.000 2.842 390 A HA 0.568 4.892 4.320 0.006 0.000 0.339 390 A C -2.483 175.188 177.584 0.146 0.000 1.177 390 A CA -1.230 50.883 52.037 0.125 0.000 0.797 390 A CB 0.083 19.229 19.000 0.244 0.000 1.094 390 A HN -0.106 nan 8.150 nan 0.000 0.474 391 P HA 0.371 nan 4.420 nan 0.000 0.271 391 P C 1.065 178.271 177.300 -0.157 0.000 1.233 391 P CA 1.537 64.517 63.100 -0.201 0.000 0.789 391 P CB 0.670 32.108 31.700 -0.436 0.000 0.951 392 G N -0.895 107.780 108.800 -0.207 0.000 2.130 392 G HA2 -0.030 3.933 3.960 0.006 0.000 0.216 392 G HA3 -0.030 3.933 3.960 0.006 0.000 0.216 392 G C 0.349 174.974 174.900 -0.459 0.000 0.999 392 G CA -0.124 44.837 45.100 -0.232 0.000 0.686 392 G HN 0.785 nan 8.290 nan 0.000 0.515 393 A N 0.292 122.881 122.820 -0.385 0.000 2.366 393 A HA 0.734 5.058 4.320 0.006 0.000 0.249 393 A C -1.201 176.283 177.584 -0.166 0.000 1.084 393 A CA -0.529 51.297 52.037 -0.353 0.000 0.794 393 A CB 0.186 19.168 19.000 -0.029 0.000 1.034 393 A HN 0.325 nan 8.150 nan 0.000 0.491 394 P HA 0.260 nan 4.420 nan 0.000 0.286 394 P C -0.965 176.287 177.300 -0.080 0.000 1.269 394 P CA -0.035 63.044 63.100 -0.036 0.000 0.787 394 P CB 0.452 32.164 31.700 0.020 0.000 0.920 395 H N 4.275 123.430 119.070 0.141 0.000 2.723 395 H HA 0.201 4.761 4.556 0.006 0.000 0.294 395 H C -2.006 173.402 175.328 0.132 0.000 1.079 395 H CA -1.699 54.451 56.048 0.169 0.000 1.411 395 H CB 0.605 30.538 29.762 0.285 0.000 1.439 395 H HN 0.295 nan 8.280 nan 0.000 0.474 396 P HA 0.128 nan 4.420 nan 0.000 0.286 396 P C -0.531 176.827 177.300 0.097 0.000 1.321 396 P CA -0.233 62.931 63.100 0.107 0.000 0.790 396 P CB 0.013 31.794 31.700 0.135 0.000 0.897 397 F N 3.103 123.057 119.950 0.006 0.000 2.379 397 F HA 0.385 4.916 4.527 0.006 0.000 0.332 397 F C 1.140 177.004 175.800 0.107 0.000 1.096 397 F CA 0.310 58.283 58.000 -0.045 0.000 1.105 397 F CB 0.908 39.828 39.000 -0.134 0.000 1.189 397 F HN 0.396 nan 8.300 nan 0.000 0.515 398 H N 3.149 122.191 119.070 -0.047 0.000 2.679 398 H HA 0.600 5.160 4.556 0.007 0.000 0.360 398 H C -1.943 173.427 175.328 0.070 0.000 1.105 398 H CA -1.044 55.052 56.048 0.079 0.000 1.196 398 H CB 1.621 31.430 29.762 0.078 0.000 1.636 398 H HN 0.533 nan 8.280 nan 0.000 0.531 399 L N 5.411 126.497 121.223 -0.228 0.000 2.313 399 L HA 0.363 4.707 4.340 0.006 0.000 0.283 399 L C -0.770 175.861 176.870 -0.398 0.000 1.013 399 L CA -0.244 54.488 54.840 -0.180 0.000 0.816 399 L CB 0.802 42.878 42.059 0.028 0.000 1.236 399 L HN 0.796 nan 8.230 nan 0.000 0.419 400 H N 3.604 122.474 119.070 -0.335 0.000 2.547 400 H HA 0.330 4.890 4.556 0.006 0.000 0.362 400 H C 0.942 176.049 175.328 -0.368 0.000 1.181 400 H CA 0.351 56.296 56.048 -0.172 0.000 1.376 400 H CB 1.146 31.013 29.762 0.175 0.000 1.488 400 H HN 0.949 nan 8.280 nan 0.000 0.583 401 G N 1.285 109.741 108.800 -0.573 0.000 2.189 401 G HA2 -0.237 3.727 3.960 0.006 0.000 0.267 401 G HA3 -0.237 3.727 3.960 0.006 0.000 0.267 401 G C 0.084 174.283 174.900 -1.168 0.000 0.975 401 G CA 0.446 44.651 45.100 -1.492 0.000 0.644 401 G HN 0.787 nan 8.290 nan 0.000 0.537 402 H N -0.824 117.979 119.070 -0.445 0.000 3.017 402 H HA 0.677 5.237 4.556 0.006 0.000 0.346 402 H C -0.012 175.223 175.328 -0.155 0.000 1.286 402 H CA -0.085 55.685 56.048 -0.464 0.000 1.120 402 H CB 1.562 31.009 29.762 -0.525 0.000 1.860 402 H HN 0.668 nan 8.280 nan 0.000 0.542 403 A N 1.406 124.235 122.820 0.015 0.000 2.320 403 A HA 0.727 5.050 4.320 0.006 0.000 0.334 403 A C -1.072 176.539 177.584 0.045 0.000 1.147 403 A CA -0.524 51.528 52.037 0.026 0.000 0.820 403 A CB 0.490 19.627 19.000 0.229 0.000 1.218 403 A HN 0.438 nan 8.150 nan 0.000 0.482 404 F N -0.884 119.129 119.950 0.105 0.000 2.603 404 F HA 0.814 5.345 4.527 0.006 0.000 0.317 404 F C 0.142 175.679 175.800 -0.438 0.000 1.066 404 F CA -1.445 56.517 58.000 -0.063 0.000 0.941 404 F CB 1.268 40.239 39.000 -0.048 0.000 1.291 404 F HN 0.662 nan 8.300 nan 0.000 0.472 405 A N 1.208 123.666 122.820 -0.603 0.000 2.362 405 A HA 0.584 4.908 4.320 0.006 0.000 0.276 405 A C -0.603 176.873 177.584 -0.180 0.000 1.153 405 A CA -0.602 50.859 52.037 -0.961 0.000 0.813 405 A CB 0.244 18.666 19.000 -0.962 0.000 1.081 405 A HN 0.734 nan 8.150 nan 0.000 0.507 406 V N 5.174 125.042 119.914 -0.077 0.000 2.267 406 V HA 0.035 4.158 4.120 0.006 0.000 0.254 406 V C 1.340 177.399 176.094 -0.059 0.000 1.144 406 V CA -0.066 62.246 62.300 0.021 0.000 0.992 406 V CB 0.252 32.120 31.823 0.076 0.000 1.199 406 V HN 0.772 nan 8.190 nan 0.000 0.493 407 V N 3.766 123.631 119.914 -0.082 0.000 2.358 407 V HA -0.058 4.066 4.120 0.006 0.000 0.246 407 V C 1.289 177.255 176.094 -0.214 0.000 1.047 407 V CA 1.641 63.861 62.300 -0.134 0.000 1.035 407 V CB -0.270 31.507 31.823 -0.076 0.000 0.658 407 V HN 0.811 nan 8.190 nan 0.000 0.452 408 R N -0.195 120.170 120.500 -0.224 0.000 2.476 408 R HA 0.437 4.781 4.340 0.006 0.000 0.305 408 R C -0.737 175.437 176.300 -0.210 0.000 0.965 408 R CA -0.125 55.758 56.100 -0.360 0.000 0.867 408 R CB 1.737 31.629 30.300 -0.680 0.000 1.176 408 R HN 0.278 nan 8.270 nan 0.000 0.447 409 S N 1.769 117.371 115.700 -0.164 0.000 2.672 409 S HA 0.531 5.004 4.470 0.006 0.000 0.276 409 S C -0.294 174.250 174.600 -0.094 0.000 1.207 409 S CA -0.554 57.589 58.200 -0.094 0.000 1.002 409 S CB 1.583 64.751 63.200 -0.055 0.000 0.998 409 S HN 0.749 nan 8.310 nan 0.000 0.542 410 A N 0.426 123.207 122.820 -0.064 0.000 2.477 410 A HA 0.510 4.834 4.320 0.006 0.000 0.246 410 A C 1.385 178.952 177.584 -0.028 0.000 1.078 410 A CA 0.290 52.297 52.037 -0.050 0.000 0.770 410 A CB -1.046 17.921 19.000 -0.055 0.000 1.011 410 A HN 1.777 nan 8.150 nan 0.000 0.494 411 G N 0.341 109.128 108.800 -0.022 0.000 2.159 411 G HA2 -0.097 3.867 3.960 0.006 0.000 0.256 411 G HA3 -0.097 3.867 3.960 0.006 0.000 0.256 411 G C 0.328 175.214 174.900 -0.023 0.000 0.977 411 G CA 0.753 45.849 45.100 -0.008 0.000 0.652 411 G HN 1.923 nan 8.290 nan 0.000 0.531 412 S N -1.004 114.664 115.700 -0.053 0.000 2.536 412 S HA 0.701 5.174 4.470 0.006 0.000 0.287 412 S C 1.018 175.553 174.600 -0.108 0.000 1.101 412 S CA 0.863 59.021 58.200 -0.070 0.000 0.950 412 S CB 1.654 64.805 63.200 -0.081 0.000 1.056 412 S HN 1.022 nan 8.310 nan 0.000 0.481 413 T N -0.140 114.364 114.554 -0.083 0.000 3.069 413 T HA 0.225 4.579 4.350 0.006 0.000 0.252 413 T C 0.819 175.454 174.700 -0.108 0.000 1.053 413 T CA 0.274 62.325 62.100 -0.082 0.000 0.964 413 T CB -0.524 68.341 68.868 -0.005 0.000 1.005 413 T HN 0.734 nan 8.240 nan 0.000 0.532 414 T N 0.058 114.529 114.554 -0.137 0.000 2.918 414 T HA 0.603 4.957 4.350 0.006 0.000 0.283 414 T C -1.023 173.498 174.700 -0.298 0.000 1.001 414 T CA -0.728 61.317 62.100 -0.091 0.000 1.041 414 T CB 0.763 69.612 68.868 -0.033 0.000 1.028 414 T HN 0.207 nan 8.240 nan 0.000 0.511 415 Y N 1.295 121.520 120.300 -0.124 0.000 2.335 415 Y HA 0.505 5.058 4.550 0.006 0.000 0.338 415 Y C 0.364 176.030 175.900 -0.390 0.000 0.977 415 Y CA -1.102 56.809 58.100 -0.316 0.000 1.114 415 Y CB 1.650 39.882 38.460 -0.380 0.000 1.182 415 Y HN 0.686 nan 8.280 nan 0.000 0.463 416 N N 2.698 121.212 118.700 -0.309 0.000 2.564 416 N HA 0.160 4.904 4.740 0.006 0.000 0.248 416 N C -1.009 174.374 175.510 -0.211 0.000 0.986 416 N CA -0.479 52.473 53.050 -0.162 0.000 0.921 416 N CB 0.318 38.793 38.487 -0.021 0.000 1.136 416 N HN 0.523 nan 8.380 nan 0.000 0.509 417 Y N 1.489 121.859 120.300 0.117 0.000 2.457 417 Y HA 0.219 4.772 4.550 0.006 0.000 0.263 417 Y C 1.595 177.556 175.900 0.101 0.000 1.164 417 Y CA -0.281 57.879 58.100 0.099 0.000 1.274 417 Y CB 0.048 38.553 38.460 0.075 0.000 1.097 417 Y HN 0.494 nan 8.280 nan 0.000 0.523 418 N N 0.898 119.722 118.700 0.207 0.000 2.349 418 N HA -0.074 4.670 4.740 0.006 0.000 0.202 418 N C 0.166 175.780 175.510 0.174 0.000 1.041 418 N CA 1.637 54.788 53.050 0.167 0.000 0.970 418 N CB 0.026 38.587 38.487 0.123 0.000 1.173 418 N HN 0.202 nan 8.380 nan 0.000 0.493 419 D N 0.211 120.719 120.400 0.181 0.000 2.938 419 D HA 0.284 4.928 4.640 0.006 0.000 0.369 419 D C -2.693 173.824 176.300 0.361 0.000 1.301 419 D CA -1.562 52.582 54.000 0.240 0.000 0.805 419 D CB 0.509 41.398 40.800 0.148 0.000 1.161 419 D HN 0.250 nan 8.370 nan 0.000 0.474 420 P HA 0.179 nan 4.420 nan 0.000 0.274 420 P C 0.382 177.823 177.300 0.235 0.000 1.237 420 P CA -0.731 62.479 63.100 0.183 0.000 0.793 420 P CB 1.387 33.126 31.700 0.065 0.000 0.977 421 I N 1.154 121.801 120.570 0.128 0.000 2.779 421 I HA 0.170 4.344 4.170 0.006 0.000 0.285 421 I C -0.225 176.037 176.117 0.242 0.000 1.134 421 I CA -0.016 61.396 61.300 0.188 0.000 1.398 421 I CB -0.488 37.562 38.000 0.083 0.000 1.404 421 I HN 0.111 nan 8.210 nan 0.000 0.587 422 F N 6.217 126.183 119.950 0.026 0.000 2.492 422 F HA 0.718 5.248 4.527 0.006 0.000 0.327 422 F C 0.393 176.123 175.800 -0.117 0.000 1.079 422 F CA -0.404 57.587 58.000 -0.016 0.000 0.967 422 F CB 1.194 40.200 39.000 0.009 0.000 1.169 422 F HN 0.502 nan 8.300 nan 0.000 0.472 423 R N 0.263 120.651 120.500 -0.187 0.000 2.921 423 R HA 0.471 4.815 4.340 0.006 0.000 0.268 423 R C -1.485 174.389 176.300 -0.709 0.000 1.008 423 R CA -0.612 55.317 56.100 -0.285 0.000 0.876 423 R CB 0.966 31.171 30.300 -0.158 0.000 1.395 423 R HN 0.474 nan 8.270 nan 0.000 0.443 424 D N -0.729 119.446 120.400 -0.374 0.000 2.514 424 D HA 0.213 4.856 4.640 0.006 0.000 0.225 424 D C -0.486 175.985 176.300 0.285 0.000 1.159 424 D CA -0.061 53.794 54.000 -0.242 0.000 0.823 424 D CB 1.041 41.879 40.800 0.063 0.000 1.097 424 D HN 0.154 nan 8.370 nan 0.000 0.519 425 V N 1.013 121.068 119.914 0.236 0.000 2.577 425 V HA 0.577 4.701 4.120 0.006 0.000 0.303 425 V C -1.018 175.257 176.094 0.301 0.000 1.042 425 V CA -1.042 61.469 62.300 0.352 0.000 0.872 425 V CB 2.184 34.117 31.823 0.185 0.000 0.998 425 V HN 0.071 nan 8.190 nan 0.000 0.423 426 V N 4.176 124.294 119.914 0.341 0.000 2.709 426 V HA 0.629 4.752 4.120 0.006 0.000 0.308 426 V C 0.176 176.281 176.094 0.020 0.000 1.062 426 V CA -0.216 62.198 62.300 0.191 0.000 0.901 426 V CB 2.542 34.532 31.823 0.279 0.000 1.003 426 V HN 0.960 nan 8.190 nan 0.000 0.425 427 S N 3.295 118.860 115.700 -0.224 0.000 2.531 427 S HA 0.164 4.638 4.470 0.006 0.000 0.279 427 S C 1.164 175.660 174.600 -0.173 0.000 1.305 427 S CA 0.343 58.264 58.200 -0.465 0.000 1.058 427 S CB 0.942 63.454 63.200 -1.147 0.000 0.899 427 S HN 1.174 nan 8.310 nan 0.000 0.493 428 T N 2.228 116.761 114.554 -0.036 0.000 3.144 428 T HA 0.485 4.839 4.350 0.006 0.000 0.249 428 T C 1.254 175.975 174.700 0.035 0.000 1.089 428 T CA 0.278 62.401 62.100 0.038 0.000 0.989 428 T CB -0.874 68.086 68.868 0.153 0.000 0.992 428 T HN 1.442 nan 8.240 nan 0.000 0.540 429 G N 1.644 110.429 108.800 -0.025 0.000 2.562 429 G HA2 -0.052 3.912 3.960 0.006 0.000 0.250 429 G HA3 -0.052 3.912 3.960 0.006 0.000 0.250 429 G C -0.095 174.839 174.900 0.056 0.000 1.269 429 G CA 0.140 45.243 45.100 0.004 0.000 0.919 429 G HN 1.496 nan 8.290 nan 0.000 0.574 430 T N -2.617 111.968 114.554 0.052 0.000 2.903 430 T HA 0.738 5.092 4.350 0.006 0.000 0.299 430 T C -1.763 172.970 174.700 0.054 0.000 1.093 430 T CA -0.541 61.596 62.100 0.062 0.000 1.002 430 T CB 2.894 71.788 68.868 0.044 0.000 1.127 430 T HN 0.462 nan 8.240 nan 0.000 0.488 431 P HA 0.056 nan 4.420 nan 0.000 0.221 431 P C 1.540 178.858 177.300 0.031 0.000 1.150 431 P CA 0.974 64.103 63.100 0.049 0.000 0.800 431 P CB -0.311 31.423 31.700 0.056 0.000 0.787 432 A N 0.333 123.170 122.820 0.028 0.000 2.015 432 A HA 0.036 4.360 4.320 0.006 0.000 0.219 432 A C 2.247 179.841 177.584 0.018 0.000 1.163 432 A CA 1.736 53.785 52.037 0.020 0.000 0.646 432 A CB -1.259 17.751 19.000 0.018 0.000 0.806 432 A HN 0.239 nan 8.150 nan 0.000 0.448 433 A N -1.838 120.994 122.820 0.019 0.000 2.238 433 A HA 0.429 4.753 4.320 0.006 0.000 0.210 433 A C 1.719 179.308 177.584 0.009 0.000 1.179 433 A CA 1.091 53.136 52.037 0.014 0.000 0.827 433 A CB -0.768 18.240 19.000 0.014 0.000 0.856 433 A HN 1.827 nan 8.150 nan 0.000 0.488 434 G N 0.330 109.137 108.800 0.013 0.000 2.198 434 G HA2 -0.215 3.748 3.960 0.006 0.000 0.257 434 G HA3 -0.215 3.748 3.960 0.006 0.000 0.257 434 G C -0.412 174.488 174.900 -0.000 0.000 1.042 434 G CA 0.211 45.317 45.100 0.009 0.000 0.791 434 G HN 0.463 nan 8.290 nan 0.000 0.502 435 D N -0.106 120.294 120.400 -0.001 0.000 2.423 435 D HA 0.301 4.944 4.640 0.006 0.000 0.238 435 D C 0.579 176.861 176.300 -0.030 0.000 1.142 435 D CA 0.322 54.310 54.000 -0.020 0.000 0.884 435 D CB 0.709 41.503 40.800 -0.010 0.000 1.199 435 D HN 0.198 nan 8.370 nan 0.000 0.438 436 N N 1.582 120.249 118.700 -0.054 0.000 2.716 436 N HA 0.075 4.818 4.740 0.006 0.000 0.245 436 N C -1.474 173.985 175.510 -0.084 0.000 1.495 436 N CA -0.318 52.698 53.050 -0.056 0.000 0.759 436 N CB 0.390 38.871 38.487 -0.009 0.000 1.261 436 N HN -0.022 nan 8.380 nan 0.000 0.515 437 V N 1.557 121.414 119.914 -0.095 0.000 2.540 437 V HA 0.150 4.274 4.120 0.006 0.000 0.297 437 V C 0.480 176.508 176.094 -0.111 0.000 1.024 437 V CA 0.534 62.768 62.300 -0.110 0.000 1.105 437 V CB 0.697 32.464 31.823 -0.093 0.000 0.938 437 V HN 0.419 nan 8.190 nan 0.000 0.482 438 T N 6.987 121.481 114.554 -0.100 0.000 2.809 438 T HA 0.688 5.042 4.350 0.006 0.000 0.284 438 T C -0.311 174.347 174.700 -0.071 0.000 0.992 438 T CA -0.247 61.821 62.100 -0.053 0.000 0.957 438 T CB 0.990 69.897 68.868 0.065 0.000 0.942 438 T HN 0.634 nan 8.240 nan 0.000 0.439 439 I N 0.056 120.567 120.570 -0.099 0.000 2.892 439 I HA 0.830 5.004 4.170 0.006 0.000 0.306 439 I C -0.820 175.283 176.117 -0.023 0.000 1.078 439 I CA -1.383 59.855 61.300 -0.103 0.000 1.032 439 I CB 2.325 40.095 38.000 -0.384 0.000 1.229 439 I HN 0.342 nan 8.210 nan 0.000 0.435 440 R N 3.115 123.635 120.500 0.032 0.000 2.725 440 R HA 0.780 5.123 4.340 0.006 0.000 0.277 440 R C -1.645 174.754 176.300 0.165 0.000 0.987 440 R CA -0.636 55.479 56.100 0.025 0.000 0.901 440 R CB 2.608 32.903 30.300 -0.008 0.000 1.207 440 R HN 0.762 nan 8.270 nan 0.000 0.463 441 F N -1.848 118.049 119.950 -0.090 0.000 2.741 441 F HA 0.436 4.967 4.527 0.006 0.000 0.313 441 F C -1.593 174.135 175.800 -0.120 0.000 1.153 441 F CA -1.228 56.722 58.000 -0.082 0.000 0.931 441 F CB 1.346 40.255 39.000 -0.151 0.000 1.335 441 F HN 0.234 nan 8.300 nan 0.000 0.460 442 Q N 0.517 120.315 119.800 -0.004 0.000 2.306 442 Q HA 0.444 4.787 4.340 0.006 0.000 0.265 442 Q C -0.885 175.111 176.000 -0.006 0.000 1.022 442 Q CA -0.948 54.803 55.803 -0.088 0.000 0.853 442 Q CB 2.248 31.010 28.738 0.039 0.000 1.327 442 Q HN 0.772 nan 8.270 nan 0.000 0.449 443 T N -1.150 113.364 114.554 -0.068 0.000 3.414 443 T HA 0.133 4.487 4.350 0.006 0.000 0.304 443 T C -0.086 174.660 174.700 0.076 0.000 1.241 443 T CA -0.674 61.456 62.100 0.050 0.000 1.076 443 T CB -0.521 68.321 68.868 -0.043 0.000 1.134 443 T HN 0.549 nan 8.240 nan 0.000 0.759 444 D N 0.474 120.992 120.400 0.197 0.000 2.402 444 D HA 0.112 4.755 4.640 0.006 0.000 0.216 444 D C 0.155 176.536 176.300 0.135 0.000 1.128 444 D CA -0.521 53.567 54.000 0.147 0.000 0.833 444 D CB 0.136 41.022 40.800 0.143 0.000 0.971 444 D HN 0.404 nan 8.370 nan 0.000 0.503 445 N N 0.995 119.809 118.700 0.189 0.000 2.675 445 N HA 0.261 5.005 4.740 0.006 0.000 0.254 445 N C -2.993 172.762 175.510 0.409 0.000 1.224 445 N CA -1.746 51.423 53.050 0.197 0.000 0.777 445 N CB 1.383 39.801 38.487 -0.115 0.000 1.256 445 N HN -0.190 nan 8.380 nan 0.000 0.531 446 P HA 0.296 nan 4.420 nan 0.000 0.262 446 P C 0.105 177.499 177.300 0.156 0.000 1.182 446 P CA 0.559 63.782 63.100 0.206 0.000 0.761 446 P CB 0.581 32.346 31.700 0.108 0.000 0.795 447 G N 3.343 112.144 108.800 0.002 0.000 2.353 447 G HA2 0.187 4.150 3.960 0.006 0.000 0.308 447 G HA3 0.187 4.150 3.960 0.006 0.000 0.308 447 G C -3.461 171.093 174.900 -0.575 0.000 1.418 447 G CA -0.930 43.940 45.100 -0.383 0.000 0.966 447 G HN 0.262 nan 8.290 nan 0.000 0.638 448 P HA 0.460 nan 4.420 nan 0.000 0.282 448 P C -1.144 175.802 177.300 -0.591 0.000 1.262 448 P CA 0.018 62.893 63.100 -0.376 0.000 0.773 448 P CB 0.303 31.857 31.700 -0.243 0.000 0.879 449 W N 3.022 124.378 121.300 0.093 0.000 2.785 449 W HA 0.396 5.060 4.660 0.006 0.000 0.333 449 W C -0.294 176.249 176.519 0.041 0.000 1.062 449 W CA -0.793 56.596 57.345 0.074 0.000 1.233 449 W CB 1.218 30.802 29.460 0.207 0.000 1.413 449 W HN 0.210 nan 8.180 nan 0.000 0.489 450 F N 3.475 123.372 119.950 -0.087 0.000 2.418 450 F HA 0.414 4.945 4.527 0.006 0.000 0.341 450 F C -0.096 175.643 175.800 -0.101 0.000 1.120 450 F CA -1.125 56.708 58.000 -0.278 0.000 1.232 450 F CB 0.757 39.357 39.000 -0.667 0.000 1.175 450 F HN 0.080 nan 8.300 nan 0.000 0.569 451 L N 5.989 127.250 121.223 0.064 0.000 2.372 451 L HA 0.444 4.788 4.340 0.006 0.000 0.273 451 L C -1.255 175.528 176.870 -0.146 0.000 0.989 451 L CA -0.130 54.676 54.840 -0.056 0.000 0.841 451 L CB 0.958 42.949 42.059 -0.113 0.000 1.225 451 L HN 0.780 nan 8.230 nan 0.000 0.414 452 H N 1.557 120.426 119.070 -0.334 0.000 2.990 452 H HA 0.506 5.065 4.556 0.006 0.000 0.336 452 H C -1.031 173.661 175.328 -1.061 0.000 1.306 452 H CA -1.015 54.622 56.048 -0.685 0.000 1.118 452 H CB 0.775 30.019 29.762 -0.862 0.000 1.856 452 H HN 0.662 nan 8.280 nan 0.000 0.538 453 C N 1.752 120.272 119.300 -1.299 0.000 2.637 453 C HA 0.123 4.586 4.460 0.006 0.000 0.418 453 C C 1.263 176.069 174.990 -0.307 0.000 1.319 453 C CA -0.082 58.230 59.018 -1.177 0.000 1.949 453 C CB -0.794 26.440 27.740 -0.843 0.000 2.639 453 C HN 0.993 nan 8.230 nan 0.000 0.594 454 H N 3.950 122.892 119.070 -0.213 0.000 2.533 454 H HA 0.296 4.856 4.556 0.006 0.000 0.271 454 H C 0.397 175.739 175.328 0.023 0.000 1.000 454 H CA 0.372 56.436 56.048 0.028 0.000 1.149 454 H CB 0.024 29.835 29.762 0.081 0.000 1.375 454 H HN 0.643 nan 8.280 nan 0.000 0.582 455 I N 1.376 121.960 120.570 0.022 0.000 2.363 455 I HA -0.084 4.090 4.170 0.006 0.000 0.292 455 I C 1.381 177.388 176.117 -0.183 0.000 1.075 455 I CA -0.077 61.160 61.300 -0.106 0.000 1.333 455 I CB 0.969 38.724 38.000 -0.409 0.000 1.415 455 I HN -0.022 nan 8.210 nan 0.000 0.502 456 D N 4.820 125.042 120.400 -0.297 0.000 2.149 456 D HA -0.196 4.448 4.640 0.006 0.000 0.198 456 D C 1.772 177.829 176.300 -0.405 0.000 0.990 456 D CA 1.852 55.571 54.000 -0.469 0.000 0.839 456 D CB 0.110 40.403 40.800 -0.845 0.000 0.948 456 D HN 0.472 nan 8.370 nan 0.000 0.460 457 F N -0.283 119.629 119.950 -0.063 0.000 2.269 457 F HA -0.037 4.494 4.527 0.006 0.000 0.301 457 F C 2.323 178.353 175.800 0.383 0.000 1.082 457 F CA 1.037 59.098 58.000 0.103 0.000 1.360 457 F CB -0.669 38.434 39.000 0.171 0.000 1.041 457 F HN 0.267 nan 8.300 nan 0.000 0.512 458 H N -1.207 118.049 119.070 0.310 0.000 2.415 458 H HA -0.056 4.504 4.556 0.006 0.000 0.297 458 H C 2.118 177.515 175.328 0.116 0.000 1.048 458 H CA 0.652 56.804 56.048 0.173 0.000 1.365 458 H CB -0.117 29.493 29.762 -0.253 0.000 1.421 458 H HN 0.162 nan 8.280 nan 0.000 0.533 459 L N 1.817 123.105 121.223 0.108 0.000 2.012 459 L HA -0.190 4.154 4.340 0.006 0.000 0.210 459 L C 2.251 179.168 176.870 0.079 0.000 1.073 459 L CA 1.905 56.727 54.840 -0.029 0.000 0.748 459 L CB -0.507 41.399 42.059 -0.255 0.000 0.891 459 L HN 0.137 nan 8.230 nan 0.000 0.431 460 E N 0.206 120.461 120.200 0.091 0.000 2.160 460 E HA -0.168 4.185 4.350 0.006 0.000 0.195 460 E C 1.753 178.473 176.600 0.200 0.000 0.991 460 E CA 1.389 57.864 56.400 0.125 0.000 0.810 460 E CB -0.367 29.379 29.700 0.076 0.000 0.742 460 E HN 0.581 nan 8.360 nan 0.000 0.466 461 A N -0.867 122.147 122.820 0.325 0.000 2.302 461 A HA 0.442 4.766 4.320 0.006 0.000 0.219 461 A C 1.520 179.302 177.584 0.329 0.000 1.243 461 A CA 0.677 52.947 52.037 0.389 0.000 0.856 461 A CB -0.647 18.810 19.000 0.762 0.000 0.893 461 A HN 0.499 nan 8.150 nan 0.000 0.491 462 G N -1.992 106.980 108.800 0.288 0.000 2.159 462 G HA2 -0.219 3.745 3.960 0.006 0.000 0.227 462 G HA3 -0.219 3.745 3.960 0.006 0.000 0.227 462 G C -0.043 175.061 174.900 0.340 0.000 0.986 462 G CA 0.013 45.276 45.100 0.272 0.000 0.651 462 G HN 0.452 nan 8.290 nan 0.000 0.523 463 F N 2.285 122.285 119.950 0.084 0.000 2.652 463 F HA 0.688 5.219 4.527 0.006 0.000 0.352 463 F C 0.576 176.303 175.800 -0.122 0.000 1.259 463 F CA -0.672 57.302 58.000 -0.043 0.000 1.249 463 F CB -0.252 38.527 39.000 -0.368 0.000 1.628 463 F HN 0.757 nan 8.300 nan 0.000 0.654 464 A N 4.689 127.564 122.820 0.093 0.000 2.597 464 A HA 0.766 5.089 4.320 0.006 0.000 0.292 464 A C -1.310 176.301 177.584 0.046 0.000 1.057 464 A CA -0.645 51.311 52.037 -0.135 0.000 0.674 464 A CB 1.298 19.955 19.000 -0.571 0.000 1.278 464 A HN 0.465 nan 8.150 nan 0.000 0.416 465 I N -2.017 118.542 120.570 -0.020 0.000 3.074 465 I HA 0.894 5.068 4.170 0.006 0.000 0.310 465 I C -1.210 174.914 176.117 0.012 0.000 1.153 465 I CA -1.358 59.985 61.300 0.071 0.000 0.993 465 I CB 2.161 40.148 38.000 -0.022 0.000 1.237 465 I HN 0.333 nan 8.210 nan 0.000 0.443 466 V N 2.782 122.742 119.914 0.076 0.000 2.495 466 V HA 0.446 4.570 4.120 0.006 0.000 0.298 466 V C -0.909 175.223 176.094 0.064 0.000 1.031 466 V CA -0.289 62.039 62.300 0.047 0.000 0.871 466 V CB 1.474 33.337 31.823 0.067 0.000 0.988 466 V HN 0.443 nan 8.190 nan 0.000 0.432 467 F N 2.997 123.095 119.950 0.247 0.000 2.405 467 F HA 0.630 5.161 4.527 0.006 0.000 0.355 467 F C 0.715 176.643 175.800 0.213 0.000 1.121 467 F CA -0.916 57.245 58.000 0.269 0.000 1.112 467 F CB 1.480 40.666 39.000 0.311 0.000 1.126 467 F HN 0.526 nan 8.300 nan 0.000 0.481 468 A N 3.818 126.869 122.820 0.385 0.000 2.774 468 A HA 0.279 4.603 4.320 0.006 0.000 0.326 468 A C 0.173 177.887 177.584 0.216 0.000 1.478 468 A CA -0.530 51.631 52.037 0.206 0.000 1.099 468 A CB -0.461 18.629 19.000 0.150 0.000 1.148 468 A HN 0.755 nan 8.150 nan 0.000 0.519 469 E N 2.623 122.972 120.200 0.249 0.000 2.290 469 E HA 0.189 4.543 4.350 0.006 0.000 0.277 469 E C -0.471 176.217 176.600 0.146 0.000 1.035 469 E CA -0.253 56.297 56.400 0.250 0.000 0.873 469 E CB 0.349 30.328 29.700 0.465 0.000 1.029 469 E HN 0.610 nan 8.360 nan 0.000 0.419 470 D N 3.634 124.086 120.400 0.087 0.000 2.803 470 D HA -0.175 4.469 4.640 0.006 0.000 0.233 470 D C 0.527 176.856 176.300 0.048 0.000 1.182 470 D CA 0.657 54.680 54.000 0.038 0.000 0.726 470 D CB -0.909 39.886 40.800 -0.007 0.000 0.987 470 D HN 0.316 nan 8.370 nan 0.000 0.412 471 V N 1.230 121.175 119.914 0.053 0.000 2.380 471 V HA -0.313 3.811 4.120 0.006 0.000 0.251 471 V C 2.694 178.809 176.094 0.035 0.000 1.063 471 V CA 2.563 64.889 62.300 0.043 0.000 1.055 471 V CB -0.682 31.169 31.823 0.048 0.000 0.657 471 V HN 0.667 nan 8.190 nan 0.000 0.455 472 A N -0.548 122.295 122.820 0.038 0.000 2.019 472 A HA -0.200 4.124 4.320 0.006 0.000 0.219 472 A C 1.788 179.396 177.584 0.039 0.000 1.164 472 A CA 1.867 53.926 52.037 0.037 0.000 0.644 472 A CB -0.351 18.674 19.000 0.041 0.000 0.805 472 A HN 0.582 nan 8.150 nan 0.000 0.449 473 D N -0.910 119.516 120.400 0.043 0.000 2.369 473 D HA 0.142 4.785 4.640 0.006 0.000 0.211 473 D C 1.735 178.060 176.300 0.041 0.000 1.077 473 D CA 0.167 54.197 54.000 0.050 0.000 0.842 473 D CB 0.274 41.115 40.800 0.067 0.000 0.947 473 D HN 0.198 nan 8.370 nan 0.000 0.509 474 V N 1.338 121.269 119.914 0.027 0.000 2.255 474 V HA -0.283 3.840 4.120 0.006 0.000 0.247 474 V C 2.553 178.648 176.094 0.001 0.000 1.051 474 V CA 1.790 64.093 62.300 0.006 0.000 1.018 474 V CB -0.370 31.443 31.823 -0.017 0.000 0.641 474 V HN 0.165 nan 8.190 nan 0.000 0.445 475 K N 0.148 120.550 120.400 0.004 0.000 2.063 475 K HA -0.189 4.135 4.320 0.006 0.000 0.208 475 K C 2.087 178.692 176.600 0.008 0.000 1.048 475 K CA 1.709 57.996 56.287 -0.001 0.000 0.928 475 K CB -0.313 32.191 32.500 0.007 0.000 0.713 475 K HN 0.441 nan 8.250 nan 0.000 0.442 476 A N 0.548 123.382 122.820 0.022 0.000 1.970 476 A HA 0.070 4.394 4.320 0.006 0.000 0.216 476 A C 2.203 179.811 177.584 0.040 0.000 1.170 476 A CA 1.333 53.388 52.037 0.030 0.000 0.645 476 A CB -0.470 18.551 19.000 0.036 0.000 0.816 476 A HN 0.449 nan 8.150 nan 0.000 0.447 477 A N -0.202 122.647 122.820 0.048 0.000 2.014 477 A HA 0.009 4.332 4.320 0.006 0.000 0.218 477 A C 0.691 178.319 177.584 0.074 0.000 1.163 477 A CA 1.085 53.161 52.037 0.067 0.000 0.652 477 A CB -0.331 18.716 19.000 0.077 0.000 0.808 477 A HN 0.567 nan 8.150 nan 0.000 0.449 478 N N 0.599 119.332 118.700 0.055 0.000 2.844 478 N HA 0.308 5.052 4.740 0.006 0.000 0.268 478 N C -3.109 172.430 175.510 0.048 0.000 1.574 478 N CA -1.155 51.945 53.050 0.084 0.000 0.838 478 N CB 1.063 39.576 38.487 0.043 0.000 1.177 478 N HN 0.152 nan 8.380 nan 0.000 0.495 479 P HA -0.017 nan 4.420 nan 0.000 0.265 479 P C -0.228 176.974 177.300 -0.164 0.000 1.193 479 P CA -0.184 62.894 63.100 -0.036 0.000 0.765 479 P CB 0.793 32.491 31.700 -0.004 0.000 0.823 480 V N 1.550 121.279 119.914 -0.309 0.000 2.547 480 V HA 0.668 4.792 4.120 0.006 0.000 0.299 480 V C -2.239 173.578 176.094 -0.461 0.000 1.040 480 V CA -2.597 59.317 62.300 -0.643 0.000 0.913 480 V CB 1.182 32.595 31.823 -0.683 0.000 0.992 480 V HN 0.395 nan 8.190 nan 0.000 0.449 481 P HA 0.326 nan 4.420 nan 0.000 0.276 481 P C 0.094 177.332 177.300 -0.103 0.000 1.244 481 P CA -0.496 62.401 63.100 -0.338 0.000 0.801 481 P CB 1.462 32.880 31.700 -0.471 0.000 1.006 482 K N 2.279 122.657 120.400 -0.038 0.000 2.152 482 K HA -0.134 4.190 4.320 0.006 0.000 0.206 482 K C 1.873 178.515 176.600 0.070 0.000 1.048 482 K CA 1.941 58.243 56.287 0.026 0.000 0.933 482 K CB -1.266 31.242 32.500 0.013 0.000 0.721 482 K HN 0.467 nan 8.250 nan 0.000 0.447 483 A N -0.510 122.368 122.820 0.097 0.000 1.933 483 A HA -0.148 4.176 4.320 0.006 0.000 0.218 483 A C 2.145 179.886 177.584 0.262 0.000 1.175 483 A CA 1.474 53.630 52.037 0.198 0.000 0.628 483 A CB -1.055 18.103 19.000 0.263 0.000 0.814 483 A HN 0.682 nan 8.150 nan 0.000 0.444 484 W N 1.026 122.378 121.300 0.087 0.000 2.388 484 W HA -0.110 4.554 4.660 0.006 0.000 0.294 484 W C 2.177 178.629 176.519 -0.113 0.000 1.212 484 W CA 1.688 59.001 57.345 -0.054 0.000 1.271 484 W CB -0.129 29.292 29.460 -0.066 0.000 1.126 484 W HN 0.267 nan 8.180 nan 0.000 0.535 485 S N 0.397 116.185 115.700 0.147 0.000 2.423 485 S HA -0.172 4.302 4.470 0.006 0.000 0.231 485 S C 1.022 175.522 174.600 -0.167 0.000 1.014 485 S CA 1.525 59.709 58.200 -0.026 0.000 0.965 485 S CB -0.380 62.892 63.200 0.121 0.000 0.785 485 S HN 0.274 nan 8.310 nan 0.000 0.495 486 D N 1.305 121.633 120.400 -0.121 0.000 2.323 486 D HA 0.107 4.750 4.640 0.006 0.000 0.209 486 D C 1.708 177.886 176.300 -0.203 0.000 0.973 486 D CA 0.259 54.189 54.000 -0.117 0.000 0.874 486 D CB -0.176 40.601 40.800 -0.038 0.000 0.930 486 D HN 0.334 nan 8.370 nan 0.000 0.521 487 L N 0.028 121.041 121.223 -0.350 0.000 2.042 487 L HA -0.199 4.145 4.340 0.006 0.000 0.210 487 L C 2.498 179.189 176.870 -0.298 0.000 1.076 487 L CA 0.928 55.531 54.840 -0.395 0.000 0.749 487 L CB -0.587 41.095 42.059 -0.629 0.000 0.893 487 L HN 0.127 nan 8.230 nan 0.000 0.432 488 c N -0.322 118.084 118.600 -0.324 0.000 2.453 488 c HA -0.057 4.517 4.570 0.006 0.000 0.277 488 c C 0.392 174.446 174.090 -0.060 0.000 1.262 488 c CA 0.533 56.763 56.329 -0.165 0.000 1.718 488 c CB -1.636 40.758 42.510 -0.193 0.000 2.031 488 c HN 0.371 nan 8.230 nan 0.000 0.480 489 P HA -0.092 nan 4.420 nan 0.000 0.215 489 P C 1.472 178.740 177.300 -0.054 0.000 1.153 489 P CA 1.517 64.584 63.100 -0.055 0.000 0.853 489 P CB -0.225 31.440 31.700 -0.058 0.000 0.788 490 I N -2.295 118.224 120.570 -0.085 0.000 2.142 490 I HA -0.281 3.892 4.170 0.006 0.000 0.240 490 I C 2.529 178.598 176.117 -0.080 0.000 1.078 490 I CA 1.562 62.792 61.300 -0.117 0.000 1.343 490 I CB -0.765 37.086 38.000 -0.247 0.000 1.046 490 I HN -0.106 nan 8.210 nan 0.000 0.405 491 Y N 1.959 122.165 120.300 -0.156 0.000 2.181 491 Y HA -0.299 4.255 4.550 0.006 0.000 0.288 491 Y C 2.146 178.025 175.900 -0.035 0.000 1.146 491 Y CA 1.756 59.802 58.100 -0.090 0.000 1.164 491 Y CB -0.293 38.117 38.460 -0.083 0.000 0.982 491 Y HN 0.212 nan 8.280 nan 0.000 0.515 492 D N -0.668 119.738 120.400 0.009 0.000 2.310 492 D HA -0.088 4.556 4.640 0.006 0.000 0.212 492 D C 2.112 178.346 176.300 -0.111 0.000 0.965 492 D CA 1.266 55.237 54.000 -0.048 0.000 0.879 492 D CB -0.552 40.263 40.800 0.025 0.000 0.921 492 D HN 0.527 nan 8.370 nan 0.000 0.510 493 G N -0.062 108.675 108.800 -0.106 0.000 2.813 493 G HA2 0.060 4.023 3.960 0.006 0.000 0.209 493 G HA3 0.060 4.023 3.960 0.006 0.000 0.209 493 G C 0.731 175.559 174.900 -0.119 0.000 1.150 493 G CA -0.211 44.835 45.100 -0.090 0.000 0.785 493 G HN 0.183 nan 8.290 nan 0.000 0.535 494 L N 2.052 123.156 121.223 -0.198 0.000 2.397 494 L HA 0.281 4.624 4.340 0.006 0.000 0.271 494 L C 1.124 177.886 176.870 -0.180 0.000 1.148 494 L CA -0.562 54.158 54.840 -0.200 0.000 0.825 494 L CB 1.230 43.105 42.059 -0.306 0.000 1.117 494 L HN 0.174 nan 8.230 nan 0.000 0.456 495 S N 0.847 116.468 115.700 -0.131 0.000 2.614 495 S HA 0.055 4.528 4.470 0.006 0.000 0.265 495 S C 0.947 175.458 174.600 -0.149 0.000 1.303 495 S CA -0.389 57.738 58.200 -0.120 0.000 1.000 495 S CB 1.355 64.497 63.200 -0.096 0.000 0.935 495 S HN 0.761 nan 8.310 nan 0.000 0.551 496 E N 1.644 121.765 120.200 -0.132 0.000 2.130 496 E HA -0.198 4.156 4.350 0.006 0.000 0.196 496 E C 1.922 178.333 176.600 -0.316 0.000 0.998 496 E CA 1.526 57.847 56.400 -0.132 0.000 0.806 496 E CB -0.697 28.959 29.700 -0.072 0.000 0.738 496 E HN 0.847 nan 8.360 nan 0.000 0.459 497 A N 0.217 122.823 122.820 -0.356 0.000 2.121 497 A HA -0.096 4.227 4.320 0.006 0.000 0.218 497 A C 1.498 178.775 177.584 -0.511 0.000 1.154 497 A CA 1.333 53.019 52.037 -0.584 0.000 0.679 497 A CB -0.390 18.447 19.000 -0.272 0.000 0.795 497 A HN 0.378 nan 8.150 nan 0.000 0.458 498 N N -0.839 117.713 118.700 -0.247 0.000 2.230 498 N HA 0.092 4.836 4.740 0.006 0.000 0.202 498 N C 0.407 175.931 175.510 0.024 0.000 1.119 498 N CA -0.202 52.802 53.050 -0.076 0.000 0.851 498 N CB 0.293 38.752 38.487 -0.046 0.000 0.990 498 N HN 0.585 nan 8.380 nan 0.000 0.497 499 Q N 0.000 119.825 119.800 0.041 0.000 2.315 499 Q HA 0.000 4.344 4.340 0.006 0.000 0.214 499 Q CA 0.000 55.925 55.803 0.202 0.000 1.022 499 Q CB 0.000 28.858 28.738 0.200 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481