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 2nvv_1_F DATA FIRST_RESID 2 DATA SEQUENCE ALRFITAEEA AEFVHHNDNV GFSGFTPAGN PKVVPAAIAK RAIAAHEKGN DATA SEQUENCE PFKIGXFTGA STGARLDGVL AQADAVKFRT PYQSNKDLRN LINNGSTSYF DATA SEQUENCE DLHLSTLAQD LRYGFYGKVD VAIIEVADVT EDGKILPTTG VGILPTICRL DATA SEQUENCE ADRIIVELND KHPKEIXGXH DLCEPLDPPA RRELPVYTPS DRIGKPYVQV DATA SEQUENCE DPAKIVGVVR TSEPNDESDF APLDPVTQAI GDNVAAFLVS EXKAGRIPKD DATA SEQUENCE FLPLQSGVGN VANAVLGALG DNPDIPAFNX YTEVIQDAVI ALXKKGRIKF DATA SEQUENCE ASGCSLSVSR SVIQDIYANL DFFKDKILLR PQEYSNNPEI VRRLGVITIN DATA SEQUENCE TALEADIFGN INSTHVSGTR XXNGIGGSGD FTRNSYVSIF TTPSVXKDGK DATA SEQUENCE ISSFVPXVAH HDHSEHSVKV IISEWGVADL RGKNPRERAH EIIDKCVHPD DATA SEQUENCE YRPLLRQYLE LGVKGQTPQN LDCCFAFHQE LAKSGDXRNV RWEDY 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.044 52.037 0.012 0.000 0.836 2 A CB 0.000 19.022 19.000 0.037 0.000 0.831 3 L N 1.590 122.804 121.223 -0.015 0.000 2.462 3 L HA 0.328 4.664 4.340 -0.007 0.000 0.272 3 L C 1.083 177.893 176.870 -0.100 0.000 1.166 3 L CA 0.971 55.745 54.840 -0.110 0.000 0.880 3 L CB 0.004 41.969 42.059 -0.157 0.000 1.142 3 L HN 0.673 nan 8.230 nan 0.000 0.473 4 R N 3.626 124.023 120.500 -0.172 0.000 2.294 4 R HA 0.379 4.716 4.340 -0.007 0.000 0.319 4 R C -1.212 174.950 176.300 -0.231 0.000 0.984 4 R CA -0.529 55.525 56.100 -0.076 0.000 0.861 4 R CB 0.535 30.817 30.300 -0.030 0.000 1.104 4 R HN 0.327 nan 8.270 nan 0.000 0.451 5 F N 6.235 126.186 119.950 0.001 0.000 2.410 5 F HA 0.386 4.909 4.527 -0.006 0.000 0.349 5 F C 0.680 176.489 175.800 0.016 0.000 1.117 5 F CA -0.467 57.534 58.000 0.003 0.000 1.104 5 F CB 1.077 40.079 39.000 0.003 0.000 1.122 5 F HN 0.395 nan 8.300 nan 0.000 0.483 6 I N -1.216 119.424 120.570 0.117 0.000 3.466 6 I HA 0.719 4.886 4.170 -0.007 0.000 0.311 6 I C -0.332 175.844 176.117 0.098 0.000 1.155 6 I CA -1.063 60.301 61.300 0.106 0.000 0.959 6 I CB 2.021 40.076 38.000 0.092 0.000 1.332 6 I HN 0.461 nan 8.210 nan 0.000 0.483 7 T N -1.205 113.402 114.554 0.088 0.000 2.881 7 T HA 0.595 4.941 4.350 -0.007 0.000 0.278 7 T C 0.932 175.673 174.700 0.067 0.000 0.982 7 T CA -0.129 62.015 62.100 0.072 0.000 0.989 7 T CB 1.612 70.516 68.868 0.060 0.000 1.058 7 T HN 0.836 nan 8.240 nan 0.000 0.529 8 A N 0.090 122.943 122.820 0.055 0.000 2.121 8 A HA 0.051 4.367 4.320 -0.007 0.000 0.218 8 A C 1.998 179.613 177.584 0.050 0.000 1.154 8 A CA 1.085 53.152 52.037 0.050 0.000 0.679 8 A CB -0.852 18.172 19.000 0.039 0.000 0.795 8 A HN 0.874 nan 8.150 nan 0.000 0.458 9 E N 0.145 120.372 120.200 0.046 0.000 2.122 9 E HA -0.050 4.296 4.350 -0.007 0.000 0.190 9 E C 1.853 178.484 176.600 0.053 0.000 0.977 9 E CA 1.208 57.629 56.400 0.035 0.000 0.820 9 E CB -0.192 29.521 29.700 0.021 0.000 0.770 9 E HN 0.741 nan 8.360 nan 0.000 0.462 10 E N 0.670 120.918 120.200 0.080 0.000 2.106 10 E HA -0.095 4.251 4.350 -0.007 0.000 0.192 10 E C 2.036 178.776 176.600 0.235 0.000 0.984 10 E CA 0.889 57.360 56.400 0.118 0.000 0.806 10 E CB -0.139 29.645 29.700 0.139 0.000 0.750 10 E HN 0.240 nan 8.360 nan 0.000 0.458 11 A N 1.736 124.690 122.820 0.223 0.000 1.902 11 A HA -0.092 4.224 4.320 -0.007 0.000 0.217 11 A C 2.425 180.176 177.584 0.277 0.000 1.181 11 A CA 1.568 53.768 52.037 0.272 0.000 0.623 11 A CB -0.630 18.425 19.000 0.092 0.000 0.818 11 A HN 0.280 nan 8.150 nan 0.000 0.443 12 A N -0.133 122.771 122.820 0.140 0.000 2.070 12 A HA -0.154 4.163 4.320 -0.007 0.000 0.220 12 A C 1.767 179.379 177.584 0.046 0.000 1.159 12 A CA 1.495 53.582 52.037 0.082 0.000 0.656 12 A CB -0.507 18.512 19.000 0.031 0.000 0.800 12 A HN 0.676 nan 8.150 nan 0.000 0.453 13 E N -1.247 118.966 120.200 0.022 0.000 2.347 13 E HA -0.104 4.242 4.350 -0.007 0.000 0.196 13 E C 0.757 177.182 176.600 -0.292 0.000 1.008 13 E CA 0.652 56.978 56.400 -0.123 0.000 0.852 13 E CB -0.203 29.384 29.700 -0.189 0.000 0.783 13 E HN 0.782 nan 8.360 nan 0.000 0.505 14 F N 0.389 120.257 119.950 -0.136 0.000 2.811 14 F HA 0.021 4.544 4.527 -0.007 0.000 0.301 14 F C 0.668 176.233 175.800 -0.392 0.000 1.151 14 F CA 0.141 58.033 58.000 -0.179 0.000 1.412 14 F CB 0.505 39.468 39.000 -0.062 0.000 1.113 14 F HN -0.245 nan 8.300 nan 0.000 0.579 15 V N 1.284 121.040 119.914 -0.263 0.000 2.398 15 V HA 0.289 4.405 4.120 -0.007 0.000 0.286 15 V C -0.211 175.672 176.094 -0.351 0.000 1.026 15 V CA -0.835 61.339 62.300 -0.210 0.000 0.868 15 V CB 0.875 32.722 31.823 0.040 0.000 0.982 15 V HN 0.094 nan 8.190 nan 0.000 0.443 16 H N 2.224 121.307 119.070 0.022 0.000 2.771 16 H HA 0.404 4.956 4.556 -0.007 0.000 0.367 16 H C -0.199 174.834 175.328 -0.491 0.000 1.172 16 H CA -0.670 55.293 56.048 -0.142 0.000 1.186 16 H CB 1.535 31.251 29.762 -0.077 0.000 1.790 16 H HN 0.766 nan 8.280 nan 0.000 0.556 17 H N 1.426 120.014 119.070 -0.803 0.000 3.064 17 H HA -0.150 4.402 4.556 -0.007 0.000 0.329 17 H C 0.248 175.386 175.328 -0.316 0.000 1.020 17 H CA 1.306 56.849 56.048 -0.842 0.000 1.402 17 H CB 0.421 29.823 29.762 -0.600 0.000 1.379 17 H HN 0.828 nan 8.280 nan 0.000 0.594 18 N N 2.032 120.225 118.700 -0.844 0.000 2.965 18 N HA -0.199 4.537 4.740 -0.007 0.000 0.232 18 N C -1.179 174.187 175.510 -0.239 0.000 0.913 18 N CA 1.253 53.956 53.050 -0.578 0.000 0.981 18 N CB -0.761 37.354 38.487 -0.620 0.000 1.077 18 N HN 0.633 nan 8.380 nan 0.000 0.589 19 D N 0.295 120.582 120.400 -0.188 0.000 2.339 19 D HA 0.196 4.832 4.640 -0.007 0.000 0.245 19 D C 0.042 176.301 176.300 -0.068 0.000 1.115 19 D CA 0.175 54.135 54.000 -0.067 0.000 0.917 19 D CB 0.333 41.116 40.800 -0.028 0.000 1.192 19 D HN 0.175 nan 8.370 nan 0.000 0.428 20 N N 0.516 119.220 118.700 0.008 0.000 2.425 20 N HA 0.302 5.038 4.740 -0.007 0.000 0.268 20 N C -0.976 174.541 175.510 0.013 0.000 0.991 20 N CA -0.369 52.686 53.050 0.010 0.000 0.931 20 N CB 1.598 40.253 38.487 0.280 0.000 1.130 20 N HN 0.016 nan 8.380 nan 0.000 0.493 21 V N 0.489 120.337 119.914 -0.111 0.000 2.495 21 V HA 0.717 4.833 4.120 -0.007 0.000 0.298 21 V C 0.741 176.647 176.094 -0.313 0.000 1.031 21 V CA -0.995 61.150 62.300 -0.260 0.000 0.871 21 V CB 1.730 33.275 31.823 -0.463 0.000 0.988 21 V HN 0.661 nan 8.190 nan 0.000 0.432 22 G N 3.024 111.658 108.800 -0.277 0.000 2.379 22 G HA2 0.716 4.672 3.960 -0.007 0.000 0.327 22 G HA3 0.716 4.672 3.960 -0.007 0.000 0.327 22 G C -1.278 173.407 174.900 -0.359 0.000 1.145 22 G CA -0.304 44.742 45.100 -0.090 0.000 0.905 22 G HN 0.385 nan 8.290 nan 0.000 0.466 23 F N 1.005 121.011 119.950 0.093 0.000 2.522 23 F HA 0.546 5.069 4.527 -0.007 0.000 0.324 23 F C 1.011 176.848 175.800 0.061 0.000 1.077 23 F CA -0.902 57.132 58.000 0.057 0.000 0.944 23 F CB 2.145 41.169 39.000 0.040 0.000 1.175 23 F HN 0.553 nan 8.300 nan 0.000 0.468 24 S N 0.997 116.822 115.700 0.209 0.000 2.634 24 S HA 0.804 5.270 4.470 -0.007 0.000 0.261 24 S C 0.275 174.964 174.600 0.149 0.000 1.271 24 S CA -0.027 58.255 58.200 0.137 0.000 0.985 24 S CB 1.029 64.273 63.200 0.073 0.000 0.968 24 S HN 1.782 nan 8.310 nan 0.000 0.568 25 G N -0.613 108.265 108.800 0.131 0.000 2.756 25 G HA2 0.114 4.070 3.960 -0.007 0.000 0.678 25 G HA3 0.114 4.070 3.960 -0.007 0.000 0.678 25 G C -1.093 173.955 174.900 0.247 0.000 1.349 25 G CA -0.286 44.903 45.100 0.149 0.000 0.847 25 G HN 1.527 nan 8.290 nan 0.000 0.548 26 F N 2.079 122.052 119.950 0.037 0.000 2.831 26 F HA 0.619 5.142 4.527 -0.007 0.000 0.346 26 F C 0.559 176.372 175.800 0.021 0.000 1.224 26 F CA 1.469 59.488 58.000 0.031 0.000 1.048 26 F CB 1.500 40.514 39.000 0.022 0.000 1.339 26 F HN 2.341 nan 8.300 nan 0.000 0.514 27 T N 3.227 117.616 114.554 -0.274 0.000 0.541 27 T HA -0.147 4.199 4.350 -0.007 0.000 0.774 27 T C -2.431 172.238 174.700 -0.052 0.000 0.992 27 T CA -0.235 61.759 62.100 -0.177 0.000 4.077 27 T CB -1.584 67.215 68.868 -0.115 0.000 2.303 27 T HN 0.320 nan 8.240 nan 0.000 0.398 28 P HA 0.028 nan 4.420 nan 0.000 0.218 28 P C 1.000 178.309 177.300 0.015 0.000 1.152 28 P CA 2.140 65.231 63.100 -0.014 0.000 0.857 28 P CB -0.527 31.166 31.700 -0.011 0.000 0.787 29 A N -0.504 122.335 122.820 0.031 0.000 2.548 29 A HA 0.385 4.701 4.320 -0.007 0.000 0.247 29 A C 1.602 179.218 177.584 0.054 0.000 1.067 29 A CA 0.693 52.761 52.037 0.051 0.000 0.757 29 A CB -1.303 17.738 19.000 0.068 0.000 0.996 29 A HN 0.426 nan 8.150 nan 0.000 0.504 30 G N 2.245 111.052 108.800 0.012 0.000 2.179 30 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.260 30 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.260 30 G C 0.152 175.069 174.900 0.029 0.000 0.977 30 G CA 0.246 45.347 45.100 0.003 0.000 0.641 30 G HN 0.821 nan 8.290 nan 0.000 0.533 31 N N 1.494 120.215 118.700 0.036 0.000 2.487 31 N HA 0.436 5.172 4.740 -0.007 0.000 0.292 31 N C -2.514 173.027 175.510 0.052 0.000 1.108 31 N CA -1.192 51.890 53.050 0.053 0.000 0.956 31 N CB 1.977 40.479 38.487 0.024 0.000 1.176 31 N HN 0.108 nan 8.380 nan 0.000 0.484 32 P HA 0.134 nan 4.420 nan 0.000 0.271 32 P C -0.450 176.883 177.300 0.054 0.000 1.216 32 P CA 0.088 63.238 63.100 0.083 0.000 0.776 32 P CB 1.212 32.998 31.700 0.142 0.000 0.881 33 K N 1.448 121.877 120.400 0.047 0.000 2.450 33 K HA 0.144 4.460 4.320 -0.007 0.000 0.206 33 K C 1.238 177.855 176.600 0.028 0.000 1.148 33 K CA -0.020 56.285 56.287 0.030 0.000 1.014 33 K CB 0.671 33.192 32.500 0.036 0.000 0.966 33 K HN 0.147 nan 8.250 nan 0.000 0.566 34 V N 0.047 119.985 119.914 0.038 0.000 3.484 34 V HA 0.006 4.122 4.120 -0.007 0.000 0.252 34 V C 1.491 177.607 176.094 0.037 0.000 1.282 34 V CA 0.335 62.655 62.300 0.033 0.000 1.104 34 V CB 0.913 32.758 31.823 0.036 0.000 0.868 34 V HN -0.027 nan 8.190 nan 0.000 0.457 35 V N 2.470 122.416 119.914 0.053 0.000 2.323 35 V HA -0.029 4.087 4.120 -0.007 0.000 0.244 35 V C -0.006 176.130 176.094 0.071 0.000 1.041 35 V CA 2.428 64.765 62.300 0.062 0.000 1.025 35 V CB -1.668 30.198 31.823 0.071 0.000 0.656 35 V HN 0.514 nan 8.190 nan 0.000 0.451 36 P HA -0.196 nan 4.420 nan 0.000 0.217 36 P C 1.511 178.828 177.300 0.028 0.000 1.148 36 P CA 2.195 65.350 63.100 0.091 0.000 0.828 36 P CB -0.027 31.706 31.700 0.055 0.000 0.783 37 A N 0.388 123.214 122.820 0.010 0.000 1.968 37 A HA 0.063 4.379 4.320 -0.007 0.000 0.217 37 A C 2.454 180.027 177.584 -0.019 0.000 1.169 37 A CA 1.688 53.719 52.037 -0.011 0.000 0.638 37 A CB -1.326 17.668 19.000 -0.010 0.000 0.812 37 A HN 0.232 nan 8.150 nan 0.000 0.446 38 A N -0.125 122.692 122.820 -0.005 0.000 2.014 38 A HA 0.041 4.357 4.320 -0.007 0.000 0.218 38 A C 1.919 179.477 177.584 -0.045 0.000 1.163 38 A CA 1.297 53.324 52.037 -0.017 0.000 0.652 38 A CB -0.370 18.635 19.000 0.008 0.000 0.808 38 A HN 0.406 nan 8.150 nan 0.000 0.449 39 I N -0.049 120.505 120.570 -0.026 0.000 2.286 39 I HA -0.178 3.988 4.170 -0.007 0.000 0.245 39 I C 2.925 178.940 176.117 -0.170 0.000 1.104 39 I CA 1.327 62.593 61.300 -0.057 0.000 1.397 39 I CB -1.690 36.341 38.000 0.051 0.000 1.072 39 I HN 0.342 nan 8.210 nan 0.000 0.417 40 A N 1.561 124.320 122.820 -0.102 0.000 1.883 40 A HA -0.217 4.099 4.320 -0.007 0.000 0.217 40 A C 2.332 179.818 177.584 -0.164 0.000 1.186 40 A CA 1.621 53.589 52.037 -0.115 0.000 0.624 40 A CB -0.453 18.514 19.000 -0.056 0.000 0.822 40 A HN 0.284 nan 8.150 nan 0.000 0.444 41 K N -0.480 119.842 120.400 -0.130 0.000 2.001 41 K HA -0.212 4.104 4.320 -0.007 0.000 0.214 41 K C 2.199 178.678 176.600 -0.202 0.000 1.050 41 K CA 1.720 57.931 56.287 -0.125 0.000 0.934 41 K CB -0.569 31.879 32.500 -0.086 0.000 0.718 41 K HN 0.581 nan 8.250 nan 0.000 0.443 42 R N 0.829 121.178 120.500 -0.252 0.000 2.103 42 R HA -0.158 4.178 4.340 -0.007 0.000 0.242 42 R C 2.265 178.169 176.300 -0.660 0.000 1.142 42 R CA 1.581 57.469 56.100 -0.353 0.000 0.960 42 R CB -0.222 29.892 30.300 -0.310 0.000 0.858 42 R HN 0.255 nan 8.270 nan 0.000 0.439 43 A N 0.896 123.186 122.820 -0.883 0.000 1.873 43 A HA -0.108 4.208 4.320 -0.007 0.000 0.215 43 A C 2.161 179.253 177.584 -0.820 0.000 1.186 43 A CA 1.325 52.651 52.037 -1.185 0.000 0.616 43 A CB -0.428 18.134 19.000 -0.729 0.000 0.823 43 A HN 0.354 nan 8.150 nan 0.000 0.442 44 I N -0.171 120.165 120.570 -0.390 0.000 2.226 44 I HA -0.266 3.901 4.170 -0.007 0.000 0.245 44 I C 2.906 178.937 176.117 -0.143 0.000 1.100 44 I CA 1.029 62.250 61.300 -0.132 0.000 1.374 44 I CB -0.328 37.651 38.000 -0.036 0.000 1.057 44 I HN 0.356 nan 8.210 nan 0.000 0.413 45 A N 0.631 123.341 122.820 -0.183 0.000 2.019 45 A HA -0.107 4.209 4.320 -0.007 0.000 0.219 45 A C 2.465 179.984 177.584 -0.109 0.000 1.164 45 A CA 1.772 53.739 52.037 -0.118 0.000 0.644 45 A CB -0.558 18.373 19.000 -0.114 0.000 0.805 45 A HN 0.454 nan 8.150 nan 0.000 0.449 46 A N -1.199 121.502 122.820 -0.197 0.000 1.903 46 A HA -0.008 4.308 4.320 -0.007 0.000 0.213 46 A C 2.003 179.564 177.584 -0.039 0.000 1.185 46 A CA 1.196 53.167 52.037 -0.109 0.000 0.628 46 A CB -0.722 18.235 19.000 -0.071 0.000 0.830 46 A HN 0.581 nan 8.150 nan 0.000 0.446 47 H N 0.879 119.949 119.070 0.001 0.000 2.267 47 H HA -0.145 4.407 4.556 -0.007 0.000 0.297 47 H C 1.996 177.321 175.328 -0.005 0.000 1.080 47 H CA 1.750 57.800 56.048 0.003 0.000 1.278 47 H CB -0.707 29.053 29.762 -0.002 0.000 1.365 47 H HN 0.832 nan 8.280 nan 0.000 0.489 48 E N 1.236 121.509 120.200 0.123 0.000 2.515 48 E HA -0.141 4.205 4.350 -0.007 0.000 0.201 48 E C 1.682 178.303 176.600 0.035 0.000 1.071 48 E CA 0.853 57.288 56.400 0.059 0.000 0.880 48 E CB -0.043 29.678 29.700 0.035 0.000 0.828 48 E HN 0.328 nan 8.360 nan 0.000 0.540 49 K N 0.068 120.488 120.400 0.034 0.000 2.358 49 K HA 0.092 4.408 4.320 -0.007 0.000 0.197 49 K C 0.987 177.603 176.600 0.027 0.000 1.025 49 K CA 0.629 56.928 56.287 0.021 0.000 1.104 49 K CB 0.247 32.754 32.500 0.010 0.000 0.855 49 K HN 0.249 nan 8.250 nan 0.000 0.531 50 G N 0.758 109.583 108.800 0.042 0.000 2.176 50 G HA2 -0.272 3.684 3.960 -0.007 0.000 0.253 50 G HA3 -0.272 3.684 3.960 -0.007 0.000 0.253 50 G C -0.581 174.342 174.900 0.038 0.000 0.979 50 G CA 0.118 45.241 45.100 0.037 0.000 0.641 50 G HN 0.474 nan 8.290 nan 0.000 0.530 51 N N 2.301 121.027 118.700 0.044 0.000 2.473 51 N HA 0.519 5.255 4.740 -0.007 0.000 0.291 51 N C -2.503 173.032 175.510 0.042 0.000 1.083 51 N CA -1.431 51.633 53.050 0.024 0.000 0.951 51 N CB 1.947 40.449 38.487 0.025 0.000 1.164 51 N HN 0.144 nan 8.380 nan 0.000 0.480 52 P HA 0.162 nan 4.420 nan 0.000 0.275 52 P C -1.280 175.846 177.300 -0.291 0.000 1.228 52 P CA 0.080 63.076 63.100 -0.173 0.000 0.786 52 P CB 0.639 32.095 31.700 -0.407 0.000 0.927 53 F N 2.339 122.231 119.950 -0.096 0.000 3.240 53 F HA 0.378 4.902 4.527 -0.005 0.000 0.370 53 F C -1.081 174.913 175.800 0.323 0.000 1.271 53 F CA -0.405 57.644 58.000 0.081 0.000 1.224 53 F CB 1.277 40.171 39.000 -0.177 0.000 1.624 53 F HN 0.191 nan 8.300 nan 0.000 0.658 54 K N 7.088 127.830 120.400 0.570 0.000 2.525 54 K HA 0.684 5.000 4.320 -0.007 0.000 0.254 54 K C -1.186 175.462 176.600 0.080 0.000 0.934 54 K CA -0.899 55.593 56.287 0.343 0.000 0.802 54 K CB 3.210 35.873 32.500 0.272 0.000 1.295 54 K HN 0.573 nan 8.250 nan 0.000 0.433 55 I N -1.712 118.884 120.570 0.042 0.000 2.797 55 I HA 0.690 4.856 4.170 -0.007 0.000 0.307 55 I C 0.321 176.263 176.117 -0.292 0.000 1.033 55 I CA -0.816 60.424 61.300 -0.100 0.000 1.071 55 I CB 1.862 39.860 38.000 -0.003 0.000 1.255 55 I HN 0.573 nan 8.210 nan 0.000 0.445 59 T N -1.362 113.403 114.554 0.353 0.000 2.831 59 T HA 0.686 5.032 4.350 -0.007 0.000 0.287 59 T C 0.697 175.539 174.700 0.238 0.000 1.070 59 T CA -0.164 62.111 62.100 0.293 0.000 1.010 59 T CB 1.655 70.631 68.868 0.180 0.000 1.264 59 T HN 0.626 nan 8.240 nan 0.000 0.532 60 G N 0.209 109.150 108.800 0.234 0.000 2.456 60 G HA2 0.450 4.406 3.960 -0.007 0.000 0.213 60 G HA3 0.450 4.406 3.960 -0.007 0.000 0.213 60 G C 0.646 175.693 174.900 0.246 0.000 1.215 60 G CA 0.807 46.104 45.100 0.327 0.000 0.805 60 G HN 1.275 nan 8.290 nan 0.000 0.537 61 A N -0.733 122.077 122.820 -0.016 0.000 3.972 61 A HA 0.669 4.985 4.320 -0.007 0.000 0.166 61 A C 0.548 178.122 177.584 -0.017 0.000 0.722 61 A CA 0.711 52.638 52.037 -0.183 0.000 1.045 61 A CB -0.248 18.115 19.000 -1.063 0.000 1.949 61 A HN 0.992 nan 8.150 nan 0.000 0.853 62 S N 0.068 115.758 115.700 -0.017 0.000 2.584 62 S HA 0.520 4.987 4.470 -0.007 0.000 0.270 62 S C 0.235 174.792 174.600 -0.072 0.000 1.346 62 S CA 0.598 58.808 58.200 0.017 0.000 1.018 62 S CB 0.560 63.799 63.200 0.064 0.000 0.899 62 S HN 1.814 nan 8.310 nan 0.000 0.542 63 T N -1.814 112.690 114.554 -0.084 0.000 2.887 63 T HA 0.752 5.098 4.350 -0.007 0.000 0.292 63 T C 0.534 175.180 174.700 -0.091 0.000 1.087 63 T CA -0.460 61.580 62.100 -0.101 0.000 1.009 63 T CB 0.914 69.678 68.868 -0.173 0.000 1.203 63 T HN 0.956 nan 8.240 nan 0.000 0.518 64 G N -0.461 108.292 108.800 -0.079 0.000 2.583 64 G HA2 0.461 4.417 3.960 -0.007 0.000 0.275 64 G HA3 0.461 4.417 3.960 -0.007 0.000 0.275 64 G C 1.143 175.996 174.900 -0.079 0.000 1.342 64 G CA -0.298 44.765 45.100 -0.062 0.000 1.030 64 G HN 1.225 nan 8.290 nan 0.000 0.520 65 A N -0.969 121.814 122.820 -0.062 0.000 2.119 65 A HA 0.094 4.410 4.320 -0.007 0.000 0.216 65 A C 2.091 179.635 177.584 -0.066 0.000 1.152 65 A CA 0.593 52.590 52.037 -0.065 0.000 0.708 65 A CB -0.076 18.895 19.000 -0.049 0.000 0.805 65 A HN 0.544 nan 8.150 nan 0.000 0.460 66 R N -0.806 119.659 120.500 -0.059 0.000 2.449 66 R HA 0.320 4.656 4.340 -0.007 0.000 0.262 66 R C 0.702 176.957 176.300 -0.075 0.000 1.006 66 R CA -0.116 55.953 56.100 -0.052 0.000 1.104 66 R CB 0.143 30.425 30.300 -0.029 0.000 1.206 66 R HN 0.382 nan 8.270 nan 0.000 0.538 67 L N -0.588 120.563 121.223 -0.120 0.000 3.794 67 L HA 0.210 4.546 4.340 -0.007 0.000 0.185 67 L C 0.767 177.506 176.870 -0.218 0.000 1.179 67 L CA 1.042 55.758 54.840 -0.206 0.000 0.903 67 L CB -0.468 41.428 42.059 -0.273 0.000 1.582 67 L HN -0.081 nan 8.230 nan 0.000 0.677 68 D N 0.312 120.579 120.400 -0.222 0.000 2.117 68 D HA -0.098 4.538 4.640 -0.007 0.000 0.197 68 D C 1.795 178.013 176.300 -0.137 0.000 0.987 68 D CA 1.545 55.430 54.000 -0.192 0.000 0.829 68 D CB -0.040 40.647 40.800 -0.188 0.000 0.961 68 D HN 0.571 nan 8.370 nan 0.000 0.460 69 G N 1.055 109.785 108.800 -0.118 0.000 2.545 69 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.217 69 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.217 69 G C 1.788 176.644 174.900 -0.073 0.000 1.218 69 G CA 1.029 46.074 45.100 -0.090 0.000 0.787 69 G HN 0.291 nan 8.290 nan 0.000 0.571 70 V N 0.189 120.062 119.914 -0.068 0.000 2.332 70 V HA -0.099 4.017 4.120 -0.007 0.000 0.248 70 V C 2.840 178.907 176.094 -0.045 0.000 1.055 70 V CA 1.711 63.980 62.300 -0.051 0.000 1.038 70 V CB -0.271 31.524 31.823 -0.046 0.000 0.651 70 V HN 0.237 nan 8.190 nan 0.000 0.450 71 L N 0.253 121.442 121.223 -0.057 0.000 2.093 71 L HA 0.016 4.352 4.340 -0.007 0.000 0.208 71 L C 2.641 179.498 176.870 -0.022 0.000 1.085 71 L CA 2.311 57.130 54.840 -0.034 0.000 0.755 71 L CB -1.604 40.421 42.059 -0.057 0.000 0.904 71 L HN 0.401 nan 8.230 nan 0.000 0.435 72 A N -1.365 121.425 122.820 -0.050 0.000 1.897 72 A HA -0.201 4.116 4.320 -0.007 0.000 0.215 72 A C 2.141 179.705 177.584 -0.034 0.000 1.181 72 A CA 1.130 53.138 52.037 -0.048 0.000 0.620 72 A CB -0.377 18.576 19.000 -0.078 0.000 0.821 72 A HN 0.519 nan 8.150 nan 0.000 0.443 73 Q N -0.593 119.186 119.800 -0.036 0.000 2.226 73 Q HA -0.069 4.267 4.340 -0.007 0.000 0.204 73 Q C 2.099 178.095 176.000 -0.008 0.000 0.975 73 Q CA 1.195 56.981 55.803 -0.028 0.000 0.866 73 Q CB -0.331 28.389 28.738 -0.030 0.000 0.915 73 Q HN 0.672 nan 8.270 nan 0.000 0.440 74 A N 1.050 123.875 122.820 0.009 0.000 2.206 74 A HA -0.077 4.239 4.320 -0.007 0.000 0.211 74 A C 0.427 178.074 177.584 0.106 0.000 1.158 74 A CA 0.672 52.742 52.037 0.056 0.000 0.761 74 A CB 0.005 19.028 19.000 0.038 0.000 0.801 74 A HN 0.402 nan 8.150 nan 0.000 0.473 75 D N -2.380 118.045 120.400 0.042 0.000 2.689 75 D HA -0.181 4.455 4.640 -0.007 0.000 0.237 75 D C 0.332 176.703 176.300 0.118 0.000 1.148 75 D CA 0.979 54.987 54.000 0.014 0.000 0.656 75 D CB -1.318 39.426 40.800 -0.094 0.000 1.050 75 D HN 0.566 nan 8.370 nan 0.000 0.426 76 A N -0.024 122.898 122.820 0.169 0.000 2.631 76 A HA 0.490 4.806 4.320 -0.007 0.000 0.294 76 A C 0.163 177.844 177.584 0.162 0.000 1.156 76 A CA -0.197 51.999 52.037 0.265 0.000 0.963 76 A CB 0.823 19.997 19.000 0.291 0.000 1.202 76 A HN 0.195 nan 8.150 nan 0.000 0.523 77 V N 1.845 121.810 119.914 0.086 0.000 2.294 77 V HA 0.106 4.222 4.120 -0.007 0.000 0.272 77 V C 1.291 177.408 176.094 0.038 0.000 1.027 77 V CA -0.073 62.240 62.300 0.023 0.000 0.823 77 V CB 0.662 32.480 31.823 -0.007 0.000 1.030 77 V HN 0.755 nan 8.190 nan 0.000 0.457 78 K N 4.780 125.185 120.400 0.007 0.000 2.116 78 K HA 0.061 4.377 4.320 -0.007 0.000 0.203 78 K C 0.324 177.038 176.600 0.191 0.000 1.052 78 K CA 1.016 57.352 56.287 0.083 0.000 0.952 78 K CB 0.274 32.816 32.500 0.070 0.000 0.729 78 K HN 0.545 nan 8.250 nan 0.000 0.446 79 F N -0.942 119.035 119.950 0.045 0.000 2.688 79 F HA 0.623 5.147 4.527 -0.004 0.000 0.308 79 F C -1.638 174.141 175.800 -0.035 0.000 1.117 79 F CA -1.611 56.431 58.000 0.070 0.000 0.976 79 F CB 1.235 40.330 39.000 0.157 0.000 1.291 79 F HN -0.125 nan 8.300 nan 0.000 0.439 80 R N 1.334 121.989 120.500 0.258 0.000 2.673 80 R HA 0.898 5.235 4.340 -0.007 0.000 0.281 80 R C -1.806 174.384 176.300 -0.183 0.000 0.991 80 R CA -0.141 55.986 56.100 0.045 0.000 0.896 80 R CB 2.261 32.623 30.300 0.102 0.000 1.201 80 R HN 1.031 nan 8.270 nan 0.000 0.457 81 T N 3.473 117.902 114.554 -0.209 0.000 2.885 81 T HA 0.417 4.763 4.350 -0.007 0.000 0.322 81 T C -2.600 172.086 174.700 -0.023 0.000 1.387 81 T CA -1.018 60.861 62.100 -0.369 0.000 1.041 81 T CB 2.223 70.707 68.868 -0.640 0.000 1.287 81 T HN 0.532 nan 8.240 nan 0.000 0.491 82 P HA 0.262 nan 4.420 nan 0.000 0.286 82 P C -0.737 176.638 177.300 0.125 0.000 1.269 82 P CA 0.157 63.230 63.100 -0.045 0.000 0.908 82 P CB 0.738 32.465 31.700 0.045 0.000 1.395 83 Y N 1.361 121.716 120.300 0.092 0.000 2.513 83 Y HA 0.506 5.052 4.550 -0.007 0.000 0.340 83 Y C -1.309 174.639 175.900 0.081 0.000 1.055 83 Y CA -0.615 57.571 58.100 0.143 0.000 1.020 83 Y CB 1.784 40.276 38.460 0.054 0.000 1.301 83 Y HN -0.221 nan 8.280 nan 0.000 0.453 84 Q N 1.812 121.394 119.800 -0.363 0.000 2.544 84 Q HA 0.693 5.029 4.340 -0.007 0.000 0.291 84 Q C -1.344 174.346 176.000 -0.517 0.000 1.068 84 Q CA -0.848 54.748 55.803 -0.344 0.000 0.785 84 Q CB 1.985 30.489 28.738 -0.391 0.000 1.481 84 Q HN 0.452 nan 8.270 nan 0.000 0.430 85 S N 0.732 116.260 115.700 -0.287 0.000 2.745 85 S HA 0.271 4.737 4.470 -0.007 0.000 0.232 85 S C -1.479 173.027 174.600 -0.156 0.000 0.804 85 S CA -0.501 57.568 58.200 -0.217 0.000 1.071 85 S CB -0.504 62.651 63.200 -0.075 0.000 1.480 85 S HN 0.670 nan 8.310 nan 0.000 0.467 86 N N 1.889 120.479 118.700 -0.185 0.000 2.314 86 N HA 0.277 5.013 4.740 -0.007 0.000 0.294 86 N C 1.072 176.492 175.510 -0.150 0.000 1.029 86 N CA -0.495 52.468 53.050 -0.145 0.000 0.845 86 N CB 1.631 40.033 38.487 -0.141 0.000 1.321 86 N HN 0.419 nan 8.380 nan 0.000 0.481 87 K N 2.781 123.111 120.400 -0.115 0.000 2.103 87 K HA -0.160 4.156 4.320 -0.007 0.000 0.207 87 K C 0.273 176.809 176.600 -0.107 0.000 1.048 87 K CA 1.283 57.506 56.287 -0.106 0.000 0.930 87 K CB -0.002 32.451 32.500 -0.078 0.000 0.716 87 K HN 0.462 nan 8.250 nan 0.000 0.444 88 D N 1.243 121.583 120.400 -0.099 0.000 2.097 88 D HA -0.121 4.516 4.640 -0.007 0.000 0.197 88 D C 2.060 178.294 176.300 -0.110 0.000 0.984 88 D CA 0.921 54.867 54.000 -0.091 0.000 0.826 88 D CB -0.134 40.620 40.800 -0.078 0.000 0.973 88 D HN 0.158 nan 8.370 nan 0.000 0.460 89 L N 1.406 122.546 121.223 -0.138 0.000 2.056 89 L HA -0.074 4.262 4.340 -0.007 0.000 0.207 89 L C 2.352 179.096 176.870 -0.210 0.000 1.078 89 L CA 1.484 56.222 54.840 -0.169 0.000 0.749 89 L CB -0.502 41.434 42.059 -0.205 0.000 0.901 89 L HN -0.168 nan 8.230 nan 0.000 0.433 90 R N -0.383 119.981 120.500 -0.226 0.000 2.091 90 R HA -0.186 4.150 4.340 -0.007 0.000 0.238 90 R C 2.066 178.259 176.300 -0.178 0.000 1.136 90 R CA 2.203 58.156 56.100 -0.246 0.000 0.959 90 R CB -0.349 29.817 30.300 -0.224 0.000 0.856 90 R HN 0.599 nan 8.270 nan 0.000 0.437 91 N N -0.058 118.562 118.700 -0.133 0.000 2.142 91 N HA -0.155 4.582 4.740 -0.007 0.000 0.186 91 N C 1.690 177.149 175.510 -0.085 0.000 1.023 91 N CA 0.837 53.828 53.050 -0.098 0.000 0.852 91 N CB -0.098 38.342 38.487 -0.079 0.000 0.998 91 N HN 0.093 nan 8.380 nan 0.000 0.424 92 L N 1.560 122.730 121.223 -0.088 0.000 2.079 92 L HA -0.113 4.223 4.340 -0.007 0.000 0.210 92 L C 1.758 178.592 176.870 -0.059 0.000 1.081 92 L CA 1.427 56.227 54.840 -0.067 0.000 0.752 92 L CB -0.303 41.715 42.059 -0.068 0.000 0.896 92 L HN 0.191 nan 8.230 nan 0.000 0.433 93 I N -0.543 119.971 120.570 -0.093 0.000 2.133 93 I HA -0.308 3.859 4.170 -0.007 0.000 0.238 93 I C 1.972 178.060 176.117 -0.049 0.000 1.074 93 I CA 1.849 63.105 61.300 -0.073 0.000 1.342 93 I CB -0.512 37.386 38.000 -0.171 0.000 1.053 93 I HN 0.311 nan 8.210 nan 0.000 0.404 94 N N 0.744 119.395 118.700 -0.081 0.000 2.430 94 N HA -0.157 4.579 4.740 -0.007 0.000 0.186 94 N C 0.961 176.448 175.510 -0.037 0.000 1.032 94 N CA 0.863 53.874 53.050 -0.064 0.000 0.893 94 N CB -0.253 38.181 38.487 -0.088 0.000 0.957 94 N HN 0.404 nan 8.380 nan 0.000 0.442 95 N N -0.344 118.335 118.700 -0.035 0.000 2.322 95 N HA 0.089 4.826 4.740 -0.007 0.000 0.194 95 N C 0.490 175.995 175.510 -0.008 0.000 1.126 95 N CA 0.013 53.050 53.050 -0.023 0.000 0.845 95 N CB 0.626 39.096 38.487 -0.028 0.000 0.976 95 N HN 0.132 nan 8.380 nan 0.000 0.475 96 G N 0.694 109.495 108.800 0.001 0.000 2.249 96 G HA2 -0.299 3.657 3.960 -0.007 0.000 0.273 96 G HA3 -0.299 3.657 3.960 -0.007 0.000 0.273 96 G C 0.681 175.594 174.900 0.022 0.000 1.036 96 G CA 0.652 45.764 45.100 0.020 0.000 0.824 96 G HN 0.363 nan 8.290 nan 0.000 0.504 97 S N -1.255 114.452 115.700 0.012 0.000 2.575 97 S HA 0.409 4.875 4.470 -0.007 0.000 0.215 97 S C 0.815 175.433 174.600 0.030 0.000 0.966 97 S CA 0.980 59.187 58.200 0.011 0.000 0.911 97 S CB 0.801 63.996 63.200 -0.009 0.000 0.780 97 S HN 1.022 nan 8.310 nan 0.000 0.514 98 T N 0.389 114.973 114.554 0.050 0.000 2.769 98 T HA 0.376 4.722 4.350 -0.007 0.000 0.306 98 T C -1.665 173.117 174.700 0.137 0.000 1.400 98 T CA -0.491 61.661 62.100 0.086 0.000 1.007 98 T CB 1.580 70.488 68.868 0.067 0.000 1.392 98 T HN -0.088 nan 8.240 nan 0.000 0.500 99 S N 2.107 117.927 115.700 0.201 0.000 2.438 99 S HA 0.596 5.062 4.470 -0.007 0.000 0.293 99 S C -1.544 173.288 174.600 0.387 0.000 1.141 99 S CA -0.434 57.931 58.200 0.276 0.000 1.080 99 S CB 0.277 63.650 63.200 0.288 0.000 0.978 99 S HN 0.533 nan 8.310 nan 0.000 0.479 100 Y N 4.280 124.706 120.300 0.211 0.000 2.442 100 Y HA 0.667 5.214 4.550 -0.006 0.000 0.344 100 Y C -1.701 174.349 175.900 0.251 0.000 0.976 100 Y CA -1.848 56.327 58.100 0.125 0.000 1.040 100 Y CB 0.969 39.431 38.460 0.003 0.000 1.228 100 Y HN 0.616 nan 8.280 nan 0.000 0.451 101 F N 4.032 123.590 119.950 -0.652 0.000 2.617 101 F HA 0.443 4.969 4.527 -0.002 0.000 0.325 101 F C -1.402 173.982 175.800 -0.693 0.000 1.179 101 F CA -1.643 56.035 58.000 -0.537 0.000 0.965 101 F CB 0.702 39.577 39.000 -0.207 0.000 1.232 101 F HN 0.385 nan 8.300 nan 0.000 0.461 102 D N 4.279 124.320 120.400 -0.598 0.000 2.304 102 D HA 0.522 5.159 4.640 -0.007 0.000 0.250 102 D C -0.418 175.831 176.300 -0.086 0.000 1.107 102 D CA -0.123 53.681 54.000 -0.327 0.000 0.885 102 D CB 2.108 42.861 40.800 -0.079 0.000 1.192 102 D HN 0.655 nan 8.370 nan 0.000 0.436 103 L N 0.605 121.814 121.223 -0.024 0.000 2.279 103 L HA 0.305 4.641 4.340 -0.007 0.000 0.262 103 L C 0.348 177.240 176.870 0.036 0.000 1.019 103 L CA -1.331 53.515 54.840 0.011 0.000 0.823 103 L CB 1.553 43.681 42.059 0.115 0.000 1.358 103 L HN 0.320 nan 8.230 nan 0.000 0.432 104 H N 2.458 121.619 119.070 0.152 0.000 2.975 104 H HA 0.111 4.663 4.556 -0.007 0.000 0.303 104 H C 0.962 176.366 175.328 0.125 0.000 1.023 104 H CA 0.109 56.239 56.048 0.138 0.000 1.473 104 H CB 1.100 30.927 29.762 0.110 0.000 1.498 104 H HN 0.513 nan 8.280 nan 0.000 0.549 105 L N 2.536 123.905 121.223 0.244 0.000 2.051 105 L HA -0.265 4.071 4.340 -0.007 0.000 0.214 105 L C 2.432 179.379 176.870 0.128 0.000 1.076 105 L CA 1.884 56.843 54.840 0.198 0.000 0.758 105 L CB -0.569 41.637 42.059 0.244 0.000 0.890 105 L HN 0.556 nan 8.230 nan 0.000 0.433 106 S N -1.327 114.418 115.700 0.075 0.000 2.500 106 S HA -0.138 4.328 4.470 -0.007 0.000 0.239 106 S C 1.805 176.402 174.600 -0.004 0.000 0.989 106 S CA 1.268 59.462 58.200 -0.010 0.000 0.951 106 S CB -0.652 62.496 63.200 -0.086 0.000 0.759 106 S HN 0.626 nan 8.310 nan 0.000 0.523 107 T N -1.287 113.311 114.554 0.072 0.000 3.037 107 T HA 0.251 4.597 4.350 -0.007 0.000 0.251 107 T C 1.513 176.260 174.700 0.077 0.000 1.079 107 T CA 0.290 62.434 62.100 0.073 0.000 1.067 107 T CB -0.356 68.613 68.868 0.168 0.000 0.948 107 T HN 0.234 nan 8.240 nan 0.000 0.496 108 L N 2.153 123.440 121.223 0.107 0.000 2.042 108 L HA 0.195 4.531 4.340 -0.007 0.000 0.210 108 L C 2.773 179.656 176.870 0.022 0.000 1.076 108 L CA 1.903 56.815 54.840 0.120 0.000 0.749 108 L CB -1.275 40.843 42.059 0.099 0.000 0.893 108 L HN 0.356 nan 8.230 nan 0.000 0.432 109 A N -0.304 122.491 122.820 -0.041 0.000 1.851 109 A HA -0.305 4.011 4.320 -0.007 0.000 0.216 109 A C 2.164 179.614 177.584 -0.223 0.000 1.195 109 A CA 2.065 54.040 52.037 -0.103 0.000 0.622 109 A CB -0.863 18.089 19.000 -0.080 0.000 0.831 109 A HN 0.747 nan 8.150 nan 0.000 0.444 110 Q N -0.989 118.612 119.800 -0.331 0.000 2.119 110 Q HA -0.184 4.152 4.340 -0.007 0.000 0.201 110 Q C 1.040 176.381 176.000 -1.097 0.000 0.972 110 Q CA 1.628 57.017 55.803 -0.689 0.000 0.847 110 Q CB -0.511 27.792 28.738 -0.725 0.000 0.903 110 Q HN 0.476 nan 8.270 nan 0.000 0.433 111 D N 0.828 120.838 120.400 -0.650 0.000 2.264 111 D HA -0.031 4.605 4.640 -0.007 0.000 0.208 111 D C 1.793 177.866 176.300 -0.380 0.000 0.966 111 D CA 0.663 54.327 54.000 -0.560 0.000 0.864 111 D CB 0.031 40.881 40.800 0.083 0.000 0.933 111 D HN 0.241 nan 8.370 nan 0.000 0.499 112 L N 0.126 121.237 121.223 -0.187 0.000 2.044 112 L HA -0.052 4.284 4.340 -0.007 0.000 0.205 112 L C 2.455 179.217 176.870 -0.180 0.000 1.075 112 L CA 0.932 55.705 54.840 -0.111 0.000 0.747 112 L CB -0.045 41.913 42.059 -0.168 0.000 0.903 112 L HN -0.059 nan 8.230 nan 0.000 0.435 113 R N -1.057 119.290 120.500 -0.254 0.000 2.096 113 R HA -0.168 4.168 4.340 -0.007 0.000 0.235 113 R C 2.117 178.372 176.300 -0.076 0.000 1.127 113 R CA 1.156 57.158 56.100 -0.164 0.000 0.968 113 R CB -0.360 29.834 30.300 -0.177 0.000 0.861 113 R HN 0.298 nan 8.270 nan 0.000 0.440 114 Y N -0.046 120.020 120.300 -0.389 0.000 2.497 114 Y HA 0.036 4.582 4.550 -0.007 0.000 0.292 114 Y C 1.867 177.539 175.900 -0.379 0.000 1.137 114 Y CA 0.786 58.556 58.100 -0.549 0.000 1.285 114 Y CB -0.594 37.103 38.460 -1.271 0.000 0.991 114 Y HN 0.368 nan 8.280 nan 0.000 0.556 115 G N -1.624 107.110 108.800 -0.110 0.000 2.141 115 G HA2 -0.292 3.664 3.960 -0.007 0.000 0.242 115 G HA3 -0.292 3.664 3.960 -0.007 0.000 0.242 115 G C 0.809 175.785 174.900 0.126 0.000 0.982 115 G CA 0.263 45.376 45.100 0.021 0.000 0.662 115 G HN 0.231 nan 8.290 nan 0.000 0.527 116 F N 0.029 119.875 119.950 -0.173 0.000 2.171 116 F HA 0.180 4.705 4.527 -0.004 0.000 0.300 116 F C 1.466 176.957 175.800 -0.515 0.000 1.090 116 F CA 0.221 57.972 58.000 -0.415 0.000 1.293 116 F CB -0.661 37.943 39.000 -0.659 0.000 1.013 116 F HN 0.363 nan 8.300 nan 0.000 0.486 117 Y N -0.804 119.647 120.300 0.251 0.000 2.377 117 Y HA 0.544 5.091 4.550 -0.006 0.000 0.339 117 Y C 1.229 177.253 175.900 0.207 0.000 1.011 117 Y CA -1.001 57.240 58.100 0.236 0.000 1.093 117 Y CB 0.527 39.207 38.460 0.366 0.000 1.201 117 Y HN 0.007 nan 8.280 nan 0.000 0.455 118 G N 2.573 111.586 108.800 0.354 0.000 1.940 118 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.544 118 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.544 118 G C -0.173 174.869 174.900 0.237 0.000 1.222 118 G CA 0.103 45.363 45.100 0.266 0.000 1.086 118 G HN 0.570 nan 8.290 nan 0.000 0.519 119 K N -1.164 119.379 120.400 0.239 0.000 2.123 119 K HA 0.505 4.821 4.320 -0.007 0.000 0.248 119 K C -1.106 175.641 176.600 0.244 0.000 0.969 119 K CA -0.636 55.758 56.287 0.178 0.000 0.882 119 K CB 1.751 34.327 32.500 0.128 0.000 1.080 119 K HN 0.114 nan 8.250 nan 0.000 0.441 120 V N 4.349 124.354 119.914 0.151 0.000 2.311 120 V HA 0.082 4.198 4.120 -0.007 0.000 0.275 120 V C 0.544 176.696 176.094 0.095 0.000 1.022 120 V CA -0.499 61.895 62.300 0.156 0.000 0.830 120 V CB 1.150 33.005 31.823 0.053 0.000 1.012 120 V HN 0.852 nan 8.190 nan 0.000 0.452 121 D N 2.571 123.028 120.400 0.095 0.000 2.120 121 D HA 0.001 4.637 4.640 -0.007 0.000 0.202 121 D C 0.629 176.948 176.300 0.032 0.000 0.972 121 D CA 1.471 55.509 54.000 0.064 0.000 0.837 121 D CB 0.999 41.840 40.800 0.067 0.000 0.989 121 D HN 0.456 nan 8.370 nan 0.000 0.469 122 V N -1.134 118.777 119.914 -0.005 0.000 3.049 122 V HA 0.720 4.836 4.120 -0.007 0.000 0.309 122 V C -1.904 174.123 176.094 -0.113 0.000 1.148 122 V CA -0.783 61.487 62.300 -0.049 0.000 0.990 122 V CB 2.172 33.969 31.823 -0.044 0.000 1.039 122 V HN 0.064 nan 8.190 nan 0.000 0.430 123 A N 6.366 129.115 122.820 -0.118 0.000 2.319 123 A HA 0.847 5.163 4.320 -0.007 0.000 0.310 123 A C -0.908 176.589 177.584 -0.145 0.000 1.152 123 A CA -0.647 51.303 52.037 -0.146 0.000 0.783 123 A CB 0.912 19.863 19.000 -0.082 0.000 1.184 123 A HN 0.812 nan 8.150 nan 0.000 0.474 124 I N 4.339 124.798 120.570 -0.185 0.000 2.321 124 I HA 0.459 4.625 4.170 -0.007 0.000 0.291 124 I C -0.044 176.078 176.117 0.008 0.000 0.998 124 I CA -0.250 61.008 61.300 -0.070 0.000 1.227 124 I CB 0.559 38.563 38.000 0.008 0.000 1.368 124 I HN 0.688 nan 8.210 nan 0.000 0.466 125 I N 1.927 122.498 120.570 0.003 0.000 2.730 125 I HA 0.616 4.782 4.170 -0.007 0.000 0.298 125 I C -0.518 175.607 176.117 0.012 0.000 1.089 125 I CA -0.821 60.490 61.300 0.017 0.000 1.041 125 I CB 2.764 40.757 38.000 -0.011 0.000 1.235 125 I HN 0.556 nan 8.210 nan 0.000 0.423 126 E N 3.978 124.186 120.200 0.014 0.000 2.197 126 E HA 0.648 4.994 4.350 -0.007 0.000 0.281 126 E C -1.633 174.950 176.600 -0.029 0.000 0.995 126 E CA -0.653 55.747 56.400 -0.000 0.000 0.808 126 E CB 2.027 31.725 29.700 -0.004 0.000 1.093 126 E HN 0.595 nan 8.360 nan 0.000 0.394 127 V N 2.835 122.738 119.914 -0.020 0.000 3.040 127 V HA 0.462 4.578 4.120 -0.007 0.000 0.312 127 V C 0.380 176.476 176.094 0.002 0.000 1.115 127 V CA -0.195 62.088 62.300 -0.027 0.000 0.998 127 V CB 1.708 33.515 31.823 -0.026 0.000 1.042 127 V HN 0.892 nan 8.190 nan 0.000 0.433 128 A N 1.469 124.291 122.820 0.003 0.000 2.169 128 A HA 0.444 4.760 4.320 -0.007 0.000 0.210 128 A C 0.299 177.901 177.584 0.031 0.000 1.168 128 A CA 0.878 52.941 52.037 0.043 0.000 0.813 128 A CB -0.035 18.999 19.000 0.057 0.000 0.861 128 A HN 0.881 nan 8.150 nan 0.000 0.481 129 D N -2.386 118.022 120.400 0.013 0.000 2.687 129 D HA 0.289 4.925 4.640 -0.007 0.000 0.213 129 D C -1.811 174.483 176.300 -0.010 0.000 1.218 129 D CA -0.066 53.940 54.000 0.010 0.000 0.768 129 D CB 1.640 42.444 40.800 0.006 0.000 1.855 129 D HN 0.176 nan 8.370 nan 0.000 0.508 130 V N 3.738 123.647 119.914 -0.008 0.000 2.443 130 V HA 0.645 4.761 4.120 -0.007 0.000 0.293 130 V C -0.367 175.708 176.094 -0.031 0.000 1.021 130 V CA -0.057 62.223 62.300 -0.033 0.000 0.848 130 V CB 1.519 33.310 31.823 -0.054 0.000 0.998 130 V HN 0.691 nan 8.190 nan 0.000 0.424 131 T N 4.443 118.964 114.554 -0.056 0.000 2.828 131 T HA 0.168 4.514 4.350 -0.007 0.000 0.290 131 T C 0.964 175.636 174.700 -0.047 0.000 1.019 131 T CA 0.002 62.068 62.100 -0.057 0.000 1.031 131 T CB 1.412 70.217 68.868 -0.104 0.000 1.001 131 T HN 0.884 nan 8.240 nan 0.000 0.531 132 E N 1.010 121.192 120.200 -0.031 0.000 2.204 132 E HA -0.112 4.234 4.350 -0.007 0.000 0.194 132 E C 1.275 177.855 176.600 -0.034 0.000 0.989 132 E CA 0.875 57.261 56.400 -0.023 0.000 0.824 132 E CB -0.013 29.684 29.700 -0.005 0.000 0.756 132 E HN 0.666 nan 8.360 nan 0.000 0.477 133 D N -1.226 119.147 120.400 -0.044 0.000 2.352 133 D HA 0.106 4.742 4.640 -0.007 0.000 0.236 133 D C 0.774 177.047 176.300 -0.046 0.000 1.148 133 D CA 0.483 54.457 54.000 -0.042 0.000 0.844 133 D CB -0.314 40.459 40.800 -0.046 0.000 0.933 133 D HN 0.186 nan 8.370 nan 0.000 0.507 134 G N 0.617 109.386 108.800 -0.051 0.000 2.182 134 G HA2 -0.299 3.657 3.960 -0.007 0.000 0.248 134 G HA3 -0.299 3.657 3.960 -0.007 0.000 0.248 134 G C -0.157 174.719 174.900 -0.040 0.000 1.042 134 G CA -0.172 44.902 45.100 -0.044 0.000 0.775 134 G HN 0.435 nan 8.290 nan 0.000 0.501 135 K N -0.282 120.068 120.400 -0.082 0.000 2.234 135 K HA 0.576 4.893 4.320 -0.007 0.000 0.277 135 K C -0.156 176.411 176.600 -0.055 0.000 1.038 135 K CA -0.738 55.483 56.287 -0.110 0.000 0.888 135 K CB 1.187 33.472 32.500 -0.357 0.000 1.091 135 K HN 0.138 nan 8.250 nan 0.000 0.467 136 I N 3.529 124.113 120.570 0.023 0.000 2.377 136 I HA 0.212 4.378 4.170 -0.007 0.000 0.293 136 I C -0.797 175.327 176.117 0.013 0.000 0.987 136 I CA -0.688 60.612 61.300 0.002 0.000 1.185 136 I CB 1.333 39.326 38.000 -0.011 0.000 1.341 136 I HN 0.357 nan 8.210 nan 0.000 0.455 137 L N 9.773 130.978 121.223 -0.031 0.000 2.316 137 L HA 0.681 5.018 4.340 -0.007 0.000 0.280 137 L C -2.512 174.265 176.870 -0.156 0.000 1.006 137 L CA -1.923 52.874 54.840 -0.072 0.000 0.836 137 L CB 1.034 43.092 42.059 -0.002 0.000 1.221 137 L HN 0.311 nan 8.230 nan 0.000 0.418 138 P HA 0.327 nan 4.420 nan 0.000 0.274 138 P C -0.108 177.086 177.300 -0.177 0.000 1.260 138 P CA -0.168 62.750 63.100 -0.303 0.000 0.793 138 P CB 0.514 31.957 31.700 -0.428 0.000 1.048 139 T N -3.616 110.894 114.554 -0.074 0.000 2.757 139 T HA 0.079 4.425 4.350 -0.007 0.000 0.179 139 T C 1.267 176.042 174.700 0.124 0.000 0.705 139 T CA 0.951 63.012 62.100 -0.065 0.000 1.952 139 T CB -1.327 67.266 68.868 -0.458 0.000 2.670 139 T HN 0.426 nan 8.240 nan 0.000 0.404 140 T N -1.258 113.300 114.554 0.008 0.000 3.069 140 T HA 0.519 4.866 4.350 -0.007 0.000 0.252 140 T C 0.666 175.430 174.700 0.106 0.000 1.053 140 T CA -0.046 62.114 62.100 0.101 0.000 0.964 140 T CB -0.181 68.749 68.868 0.102 0.000 1.005 140 T HN 0.885 nan 8.240 nan 0.000 0.532 141 G N -0.292 108.573 108.800 0.109 0.000 2.731 141 G HA2 0.536 4.492 3.960 -0.007 0.000 0.298 141 G HA3 0.536 4.492 3.960 -0.007 0.000 0.298 141 G C -0.059 174.918 174.900 0.128 0.000 1.424 141 G CA -0.551 44.636 45.100 0.145 0.000 1.029 141 G HN 0.028 nan 8.290 nan 0.000 0.518 142 V N 1.861 121.840 119.914 0.109 0.000 2.627 142 V HA 0.413 4.529 4.120 -0.007 0.000 0.239 142 V C 2.430 178.576 176.094 0.087 0.000 1.077 142 V CA 1.883 64.223 62.300 0.066 0.000 1.103 142 V CB -0.902 30.939 31.823 0.029 0.000 0.802 142 V HN 1.647 nan 8.190 nan 0.000 0.482 143 G N 1.879 110.726 108.800 0.079 0.000 2.596 143 G HA2 -0.360 3.596 3.960 -0.007 0.000 0.304 143 G HA3 -0.360 3.596 3.960 -0.007 0.000 0.304 143 G C 0.680 175.640 174.900 0.100 0.000 1.189 143 G CA 0.775 45.980 45.100 0.176 0.000 0.986 143 G HN 1.097 nan 8.290 nan 0.000 0.548 144 I N -0.502 120.141 120.570 0.122 0.000 3.877 144 I HA 0.601 4.767 4.170 -0.007 0.000 0.332 144 I C 1.910 178.058 176.117 0.051 0.000 1.525 144 I CA 0.175 61.519 61.300 0.074 0.000 1.146 144 I CB 0.282 38.327 38.000 0.076 0.000 1.137 144 I HN 0.495 nan 8.210 nan 0.000 0.424 145 L N 3.612 124.866 121.223 0.051 0.000 1.976 145 L HA -0.099 4.237 4.340 -0.007 0.000 0.223 145 L C -0.454 176.419 176.870 0.006 0.000 1.081 145 L CA 2.804 57.659 54.840 0.026 0.000 0.784 145 L CB -1.560 40.505 42.059 0.010 0.000 0.896 145 L HN 0.214 nan 8.230 nan 0.000 0.438 146 P HA -0.157 nan 4.420 nan 0.000 0.217 146 P C 1.434 178.729 177.300 -0.009 0.000 1.148 146 P CA 2.217 65.314 63.100 -0.005 0.000 0.828 146 P CB -0.305 31.393 31.700 -0.002 0.000 0.783 147 T N 1.147 115.694 114.554 -0.011 0.000 2.851 147 T HA -0.048 4.299 4.350 -0.007 0.000 0.262 147 T C 1.975 176.651 174.700 -0.039 0.000 1.043 147 T CA 1.272 63.353 62.100 -0.032 0.000 1.140 147 T CB -0.764 68.074 68.868 -0.051 0.000 0.872 147 T HN 0.252 nan 8.240 nan 0.000 0.446 148 I N -0.425 120.129 120.570 -0.028 0.000 2.394 148 I HA -0.071 4.095 4.170 -0.007 0.000 0.251 148 I C 2.256 178.356 176.117 -0.028 0.000 1.136 148 I CA 0.979 62.261 61.300 -0.030 0.000 1.425 148 I CB -1.037 36.959 38.000 -0.008 0.000 1.079 148 I HN 0.179 nan 8.210 nan 0.000 0.425 149 C N 0.991 120.277 119.300 -0.023 0.000 2.450 149 C HA -0.040 4.416 4.460 -0.007 0.000 0.279 149 C C 3.018 177.996 174.990 -0.021 0.000 1.335 149 C CA 0.870 59.874 59.018 -0.024 0.000 1.749 149 C CB -1.241 26.488 27.740 -0.019 0.000 1.963 149 C HN 0.550 nan 8.230 nan 0.000 0.501 150 R N 0.413 120.901 120.500 -0.019 0.000 2.062 150 R HA -0.049 4.287 4.340 -0.007 0.000 0.229 150 R C 1.803 178.093 176.300 -0.017 0.000 1.128 150 R CA 1.378 57.468 56.100 -0.016 0.000 0.960 150 R CB -0.303 29.987 30.300 -0.017 0.000 0.855 150 R HN 0.299 nan 8.270 nan 0.000 0.432 151 L N 1.189 122.397 121.223 -0.024 0.000 2.313 151 L HA 0.178 4.514 4.340 -0.007 0.000 0.214 151 L C 0.986 177.851 176.870 -0.007 0.000 1.119 151 L CA 0.914 55.741 54.840 -0.021 0.000 0.809 151 L CB -0.916 41.118 42.059 -0.041 0.000 0.933 151 L HN 0.143 nan 8.230 nan 0.000 0.449 152 A N -0.478 122.336 122.820 -0.011 0.000 2.462 152 A HA 0.081 4.398 4.320 -0.007 0.000 0.243 152 A C 1.069 178.653 177.584 -0.000 0.000 1.076 152 A CA -0.181 51.853 52.037 -0.005 0.000 0.773 152 A CB 0.077 19.063 19.000 -0.024 0.000 1.010 152 A HN 0.226 nan 8.150 nan 0.000 0.493 153 D N 0.465 120.873 120.400 0.014 0.000 2.149 153 D HA -0.018 4.618 4.640 -0.007 0.000 0.201 153 D C 0.799 177.104 176.300 0.009 0.000 0.972 153 D CA 1.460 55.472 54.000 0.020 0.000 0.835 153 D CB 0.119 40.944 40.800 0.042 0.000 0.966 153 D HN 0.765 nan 8.370 nan 0.000 0.476 154 R N -0.396 120.102 120.500 -0.004 0.000 2.740 154 R HA 0.680 5.016 4.340 -0.007 0.000 0.273 154 R C -1.035 175.219 176.300 -0.076 0.000 0.998 154 R CA -0.711 55.366 56.100 -0.039 0.000 0.900 154 R CB 1.514 31.803 30.300 -0.019 0.000 1.223 154 R HN -0.179 nan 8.270 nan 0.000 0.466 155 I N 2.620 123.120 120.570 -0.117 0.000 2.465 155 I HA 0.406 4.572 4.170 -0.007 0.000 0.291 155 I C -0.364 175.646 176.117 -0.178 0.000 1.014 155 I CA -1.047 60.178 61.300 -0.125 0.000 1.093 155 I CB 2.190 40.130 38.000 -0.099 0.000 1.267 155 I HN 0.466 nan 8.210 nan 0.000 0.431 156 I N 6.659 127.135 120.570 -0.157 0.000 2.328 156 I HA 0.308 4.475 4.170 -0.007 0.000 0.287 156 I C -0.324 175.726 176.117 -0.112 0.000 1.012 156 I CA -0.684 60.516 61.300 -0.166 0.000 1.195 156 I CB 1.470 39.394 38.000 -0.127 0.000 1.350 156 I HN 0.201 nan 8.210 nan 0.000 0.464 157 V N 5.805 125.642 119.914 -0.128 0.000 2.644 157 V HA 0.293 4.409 4.120 -0.007 0.000 0.295 157 V C 0.083 176.139 176.094 -0.063 0.000 1.053 157 V CA -0.526 61.719 62.300 -0.093 0.000 0.987 157 V CB 1.715 33.468 31.823 -0.118 0.000 1.006 157 V HN 0.691 nan 8.190 nan 0.000 0.472 158 E N 3.172 123.358 120.200 -0.023 0.000 2.235 158 E HA 0.383 4.729 4.350 -0.007 0.000 0.252 158 E C -1.164 175.451 176.600 0.026 0.000 0.886 158 E CA -0.482 55.925 56.400 0.011 0.000 0.767 158 E CB 1.389 31.106 29.700 0.028 0.000 1.205 158 E HN 0.629 nan 8.360 nan 0.000 0.421 159 L N 5.010 126.262 121.223 0.048 0.000 2.312 159 L HA 0.259 4.595 4.340 -0.007 0.000 0.287 159 L C -0.280 176.644 176.870 0.090 0.000 1.091 159 L CA -0.289 54.594 54.840 0.073 0.000 0.846 159 L CB 0.249 42.378 42.059 0.117 0.000 1.219 159 L HN 0.481 nan 8.230 nan 0.000 0.439 160 N N 3.141 121.903 118.700 0.102 0.000 2.458 160 N HA -0.024 4.712 4.740 -0.007 0.000 0.270 160 N C 0.641 176.232 175.510 0.134 0.000 1.102 160 N CA -0.026 53.110 53.050 0.144 0.000 0.967 160 N CB 1.217 39.852 38.487 0.245 0.000 1.078 160 N HN 0.550 nan 8.380 nan 0.000 0.471 161 D N 2.440 122.895 120.400 0.091 0.000 2.123 161 D HA -0.131 4.505 4.640 -0.007 0.000 0.196 161 D C 0.904 177.217 176.300 0.023 0.000 0.992 161 D CA 1.182 55.211 54.000 0.049 0.000 0.833 161 D CB 0.504 41.324 40.800 0.032 0.000 0.954 161 D HN 0.458 nan 8.370 nan 0.000 0.455 162 K N 0.419 120.823 120.400 0.007 0.000 2.442 162 K HA -0.065 4.251 4.320 -0.007 0.000 0.198 162 K C 0.115 176.552 176.600 -0.271 0.000 1.042 162 K CA 0.492 56.708 56.287 -0.119 0.000 0.958 162 K CB -0.508 31.889 32.500 -0.173 0.000 0.766 162 K HN 0.388 nan 8.250 nan 0.000 0.474 163 H N 0.939 120.023 119.070 0.023 0.000 2.595 163 H HA 0.204 4.756 4.556 -0.006 0.000 0.313 163 H C -2.273 172.952 175.328 -0.171 0.000 1.023 163 H CA -2.017 53.982 56.048 -0.082 0.000 1.218 163 H CB 1.052 30.833 29.762 0.032 0.000 1.403 163 H HN -0.034 nan 8.280 nan 0.000 0.477 164 P HA 0.024 nan 4.420 nan 0.000 0.275 164 P C 0.092 177.324 177.300 -0.115 0.000 1.227 164 P CA -0.649 62.338 63.100 -0.188 0.000 0.781 164 P CB 1.502 33.043 31.700 -0.266 0.000 0.906 165 K N 1.327 121.698 120.400 -0.048 0.000 2.555 165 K HA -0.076 4.240 4.320 -0.007 0.000 0.193 165 K C 0.712 177.310 176.600 -0.005 0.000 1.032 165 K CA 0.983 57.264 56.287 -0.009 0.000 1.004 165 K CB -0.230 32.270 32.500 -0.000 0.000 0.804 165 K HN 0.220 nan 8.250 nan 0.000 0.496 166 E N 0.884 121.063 120.200 -0.035 0.000 2.418 166 E HA 0.030 4.376 4.350 -0.007 0.000 0.197 166 E C 0.628 177.230 176.600 0.003 0.000 1.026 166 E CA 0.239 56.631 56.400 -0.013 0.000 0.862 166 E CB 0.032 29.719 29.700 -0.021 0.000 0.799 166 E HN 0.234 nan 8.360 nan 0.000 0.518 172 D N 1.873 122.306 120.400 0.056 0.000 2.375 172 D HA 0.270 4.907 4.640 -0.007 0.000 0.259 172 D C -1.193 175.039 176.300 -0.114 0.000 1.235 172 D CA -0.465 53.506 54.000 -0.049 0.000 0.924 172 D CB 0.588 41.349 40.800 -0.065 0.000 1.143 172 D HN 0.298 nan 8.370 nan 0.000 0.529 173 L N 3.299 124.448 121.223 -0.123 0.000 2.309 173 L HA 0.701 5.037 4.340 -0.007 0.000 0.282 173 L C 0.497 177.255 176.870 -0.186 0.000 1.036 173 L CA -0.735 54.020 54.840 -0.142 0.000 0.806 173 L CB 0.317 42.309 42.059 -0.111 0.000 1.220 173 L HN 0.764 nan 8.230 nan 0.000 0.429 174 C N 0.946 120.150 119.300 -0.159 0.000 2.986 174 C HA 0.624 5.080 4.460 -0.007 0.000 0.326 174 C C -1.030 173.992 174.990 0.052 0.000 1.335 174 C CA -0.984 57.969 59.018 -0.108 0.000 1.223 174 C CB 1.696 29.332 27.740 -0.173 0.000 1.354 174 C HN 0.893 nan 8.230 nan 0.000 0.447 175 E N 0.959 121.222 120.200 0.104 0.000 2.356 175 E HA 0.758 5.104 4.350 -0.007 0.000 0.275 175 E C -2.751 173.941 176.600 0.153 0.000 0.904 175 E CA -1.043 55.462 56.400 0.176 0.000 0.757 175 E CB 2.763 32.502 29.700 0.065 0.000 1.232 175 E HN 0.767 nan 8.360 nan 0.000 0.442 176 P HA 0.325 nan 4.420 nan 0.000 0.283 176 P C -0.723 176.604 177.300 0.046 0.000 1.278 176 P CA -0.742 62.413 63.100 0.092 0.000 0.834 176 P CB 0.915 32.650 31.700 0.058 0.000 1.150 177 L N 1.202 122.450 121.223 0.041 0.000 2.476 177 L HA 0.188 4.525 4.340 -0.007 0.000 0.264 177 L C 0.797 177.693 176.870 0.043 0.000 1.224 177 L CA 0.875 55.735 54.840 0.034 0.000 0.821 177 L CB -0.675 41.400 42.059 0.027 0.000 1.101 177 L HN 0.355 nan 8.230 nan 0.000 0.488 178 D N 1.160 121.592 120.400 0.054 0.000 2.299 178 D HA 0.385 5.021 4.640 -0.007 0.000 0.243 178 D C -2.323 173.999 176.300 0.037 0.000 0.982 178 D CA -1.266 52.793 54.000 0.098 0.000 0.924 178 D CB 1.214 42.120 40.800 0.177 0.000 1.238 178 D HN 0.275 nan 8.370 nan 0.000 0.484 179 P HA 0.044 nan 4.420 nan 0.000 0.266 179 P C -1.807 175.457 177.300 -0.060 0.000 1.193 179 P CA -0.663 62.413 63.100 -0.040 0.000 0.770 179 P CB -0.102 31.550 31.700 -0.079 0.000 0.836 180 P HA 0.155 nan 4.420 nan 0.000 0.253 180 P C 0.471 177.763 177.300 -0.012 0.000 1.459 180 P CA 0.126 63.209 63.100 -0.029 0.000 0.908 180 P CB -0.074 31.608 31.700 -0.029 0.000 1.470 181 A N -0.160 122.657 122.820 -0.005 0.000 2.387 181 A HA 0.141 4.457 4.320 -0.007 0.000 0.234 181 A C 1.158 178.749 177.584 0.012 0.000 1.253 181 A CA -0.389 51.650 52.037 0.004 0.000 0.894 181 A CB -0.376 18.627 19.000 0.005 0.000 0.963 181 A HN 0.118 nan 8.150 nan 0.000 0.508 182 R N 1.101 121.610 120.500 0.015 0.000 2.537 182 R HA 0.222 4.558 4.340 -0.007 0.000 0.280 182 R C -0.141 176.171 176.300 0.020 0.000 1.058 182 R CA -0.090 56.023 56.100 0.021 0.000 1.057 182 R CB 0.407 30.721 30.300 0.024 0.000 0.973 182 R HN 0.233 nan 8.270 nan 0.000 0.438 183 R N 1.864 122.380 120.500 0.026 0.000 2.810 183 R HA 0.162 4.498 4.340 -0.007 0.000 0.245 183 R C -0.196 176.123 176.300 0.032 0.000 1.168 183 R CA -0.762 55.356 56.100 0.030 0.000 1.096 183 R CB 0.294 30.615 30.300 0.036 0.000 1.259 183 R HN 0.751 nan 8.270 nan 0.000 0.518 184 E N 1.424 121.648 120.200 0.041 0.000 2.392 184 E HA 0.063 4.409 4.350 -0.007 0.000 0.259 184 E C -0.596 176.026 176.600 0.037 0.000 1.108 184 E CA -0.127 56.295 56.400 0.037 0.000 0.916 184 E CB 0.512 30.250 29.700 0.064 0.000 0.989 184 E HN 0.393 nan 8.360 nan 0.000 0.432 185 L N 3.105 124.333 121.223 0.008 0.000 2.282 185 L HA 0.229 4.566 4.340 -0.007 0.000 0.287 185 L C -1.632 175.180 176.870 -0.097 0.000 1.075 185 L CA -1.947 52.917 54.840 0.039 0.000 0.839 185 L CB 0.693 42.789 42.059 0.061 0.000 1.219 185 L HN 0.339 nan 8.230 nan 0.000 0.434 186 P HA -0.079 nan 4.420 nan 0.000 0.272 186 P C -0.148 176.895 177.300 -0.430 0.000 1.542 186 P CA 0.466 63.450 63.100 -0.194 0.000 0.846 186 P CB 0.048 31.797 31.700 0.082 0.000 1.782 187 V N 1.061 120.598 119.914 -0.628 0.000 2.350 187 V HA 0.272 4.388 4.120 -0.007 0.000 0.285 187 V C -0.231 175.448 176.094 -0.691 0.000 1.014 187 V CA -0.580 61.449 62.300 -0.451 0.000 0.831 187 V CB 0.688 32.414 31.823 -0.162 0.000 1.000 187 V HN 0.023 nan 8.190 nan 0.000 0.433 188 Y N 3.123 123.397 120.300 -0.045 0.000 2.445 188 Y HA 0.464 5.010 4.550 -0.006 0.000 0.247 188 Y C 1.030 176.884 175.900 -0.076 0.000 1.129 188 Y CA -0.222 57.844 58.100 -0.057 0.000 1.251 188 Y CB 0.851 39.288 38.460 -0.040 0.000 1.176 188 Y HN 0.566 nan 8.280 nan 0.000 0.522 189 T N 1.864 116.416 114.554 -0.004 0.000 2.916 189 T HA 0.192 4.538 4.350 -0.007 0.000 0.305 189 T C -2.122 172.540 174.700 -0.063 0.000 1.119 189 T CA -1.389 60.687 62.100 -0.040 0.000 1.008 189 T CB 2.340 71.183 68.868 -0.042 0.000 1.129 189 T HN -0.244 nan 8.240 nan 0.000 0.480 190 P HA -0.057 nan 4.420 nan 0.000 0.228 190 P C 0.917 178.319 177.300 0.171 0.000 1.151 190 P CA 0.761 63.980 63.100 0.198 0.000 0.770 190 P CB 0.096 32.018 31.700 0.370 0.000 0.786 191 S N -2.598 112.925 115.700 -0.294 0.000 2.568 191 S HA 0.134 4.600 4.470 -0.007 0.000 0.232 191 S C 0.312 174.754 174.600 -0.264 0.000 0.975 191 S CA -0.607 57.160 58.200 -0.722 0.000 0.949 191 S CB -0.557 61.735 63.200 -1.513 0.000 0.829 191 S HN -0.114 nan 8.310 nan 0.000 0.479 192 D N 2.978 123.318 120.400 -0.100 0.000 2.351 192 D HA 0.258 4.895 4.640 -0.007 0.000 0.251 192 D C 0.074 176.363 176.300 -0.019 0.000 1.137 192 D CA 0.164 54.136 54.000 -0.047 0.000 0.879 192 D CB 0.649 41.439 40.800 -0.016 0.000 1.181 192 D HN 0.277 nan 8.370 nan 0.000 0.448 193 R N 2.230 122.716 120.500 -0.024 0.000 2.312 193 R HA 0.419 4.755 4.340 -0.007 0.000 0.311 193 R C 0.880 177.152 176.300 -0.048 0.000 1.004 193 R CA -0.334 55.748 56.100 -0.032 0.000 0.902 193 R CB 1.288 31.574 30.300 -0.023 0.000 1.073 193 R HN 0.550 nan 8.270 nan 0.000 0.457 194 I N -2.067 118.448 120.570 -0.092 0.000 4.442 194 I HA 0.389 4.555 4.170 -0.007 0.000 0.331 194 I C 0.470 176.506 176.117 -0.135 0.000 1.364 194 I CA -0.295 60.946 61.300 -0.099 0.000 1.207 194 I CB 1.138 39.074 38.000 -0.107 0.000 1.298 194 I HN 0.569 nan 8.210 nan 0.000 0.463 195 G N 1.372 110.074 108.800 -0.163 0.000 3.252 195 G HA2 0.565 4.521 3.960 -0.007 0.000 0.181 195 G HA3 0.565 4.521 3.960 -0.007 0.000 0.181 195 G C -1.101 173.699 174.900 -0.167 0.000 1.187 195 G CA -0.650 44.343 45.100 -0.178 0.000 0.886 195 G HN 0.048 nan 8.290 nan 0.000 0.615 196 K N 0.625 120.887 120.400 -0.229 0.000 2.281 196 K HA 0.395 4.711 4.320 -0.007 0.000 0.242 196 K C -2.045 174.401 176.600 -0.257 0.000 0.971 196 K CA -1.684 54.412 56.287 -0.319 0.000 0.834 196 K CB 3.031 35.151 32.500 -0.632 0.000 1.181 196 K HN 0.151 nan 8.250 nan 0.000 0.435 197 P HA -0.011 nan 4.420 nan 0.000 0.255 197 P C -1.301 176.071 177.300 0.121 0.000 1.357 197 P CA 0.474 63.601 63.100 0.045 0.000 0.839 197 P CB -0.116 31.664 31.700 0.134 0.000 1.356 198 Y N -3.620 116.678 120.300 -0.004 0.000 2.677 198 Y HA 0.556 5.102 4.550 -0.007 0.000 0.334 198 Y C -1.866 174.008 175.900 -0.044 0.000 1.196 198 Y CA -1.954 56.121 58.100 -0.041 0.000 1.059 198 Y CB 0.621 39.065 38.460 -0.027 0.000 1.315 198 Y HN -0.230 nan 8.280 nan 0.000 0.455 199 V N 2.208 122.225 119.914 0.171 0.000 2.459 199 V HA 0.610 4.726 4.120 -0.007 0.000 0.295 199 V C -1.064 175.160 176.094 0.216 0.000 1.029 199 V CA -0.366 61.987 62.300 0.088 0.000 0.874 199 V CB 1.445 33.276 31.823 0.013 0.000 0.985 199 V HN 0.968 nan 8.190 nan 0.000 0.438 200 Q N 5.011 124.923 119.800 0.186 0.000 2.278 200 Q HA 0.677 5.013 4.340 -0.007 0.000 0.257 200 Q C -0.743 175.297 176.000 0.067 0.000 0.928 200 Q CA -0.135 55.768 55.803 0.167 0.000 0.932 200 Q CB 1.698 30.559 28.738 0.205 0.000 1.221 200 Q HN 1.120 nan 8.270 nan 0.000 0.434 201 V N 0.302 120.237 119.914 0.036 0.000 3.141 201 V HA 0.613 4.729 4.120 -0.007 0.000 0.312 201 V C -0.823 175.269 176.094 -0.002 0.000 1.157 201 V CA -1.168 61.138 62.300 0.009 0.000 1.041 201 V CB 2.073 33.891 31.823 -0.009 0.000 1.071 201 V HN 0.765 nan 8.190 nan 0.000 0.441 202 D N 2.924 123.319 120.400 -0.009 0.000 2.325 202 D HA 0.350 4.986 4.640 -0.007 0.000 0.251 202 D C -1.317 174.967 176.300 -0.026 0.000 1.196 202 D CA -1.925 52.068 54.000 -0.012 0.000 0.866 202 D CB 1.906 42.700 40.800 -0.009 0.000 1.101 202 D HN 0.505 nan 8.370 nan 0.000 0.476 203 P HA -0.173 nan 4.420 nan 0.000 0.220 203 P C 0.946 178.217 177.300 -0.049 0.000 1.144 203 P CA 0.752 63.825 63.100 -0.045 0.000 0.800 203 P CB 0.188 31.864 31.700 -0.040 0.000 0.772 204 A N 0.467 123.267 122.820 -0.034 0.000 2.067 204 A HA -0.135 4.181 4.320 -0.007 0.000 0.219 204 A C 2.151 179.712 177.584 -0.039 0.000 1.158 204 A CA 1.238 53.258 52.037 -0.029 0.000 0.661 204 A CB -0.862 18.130 19.000 -0.013 0.000 0.801 204 A HN 0.212 nan 8.150 nan 0.000 0.452 205 K N -0.265 120.108 120.400 -0.045 0.000 2.366 205 K HA 0.099 4.416 4.320 -0.007 0.000 0.198 205 K C -0.176 176.365 176.600 -0.098 0.000 1.044 205 K CA 0.162 56.416 56.287 -0.054 0.000 0.973 205 K CB 0.046 32.520 32.500 -0.043 0.000 0.767 205 K HN 0.350 nan 8.250 nan 0.000 0.475 206 I N 3.103 123.605 120.570 -0.114 0.000 2.372 206 I HA -0.062 4.104 4.170 -0.007 0.000 0.298 206 I C 1.528 177.510 176.117 -0.225 0.000 1.137 206 I CA 0.290 61.489 61.300 -0.167 0.000 1.314 206 I CB 0.055 37.960 38.000 -0.160 0.000 1.444 206 I HN -0.093 nan 8.210 nan 0.000 0.541 207 V N 3.660 123.370 119.914 -0.340 0.000 3.141 207 V HA 0.378 4.494 4.120 -0.007 0.000 0.265 207 V C 0.861 176.640 176.094 -0.526 0.000 1.126 207 V CA 0.896 62.871 62.300 -0.541 0.000 1.141 207 V CB -0.737 30.394 31.823 -1.153 0.000 0.743 207 V HN 0.862 nan 8.190 nan 0.000 0.492 208 G N -1.402 107.160 108.800 -0.397 0.000 2.377 208 G HA2 0.478 4.434 3.960 -0.007 0.000 0.297 208 G HA3 0.478 4.434 3.960 -0.007 0.000 0.297 208 G C -1.694 173.027 174.900 -0.298 0.000 1.547 208 G CA -0.103 44.810 45.100 -0.311 0.000 0.833 208 G HN 0.397 nan 8.290 nan 0.000 0.583 209 V N 0.936 120.631 119.914 -0.366 0.000 2.376 209 V HA 0.531 4.647 4.120 -0.007 0.000 0.287 209 V C 0.061 176.058 176.094 -0.161 0.000 1.015 209 V CA -0.736 61.342 62.300 -0.371 0.000 0.834 209 V CB 1.410 32.780 31.823 -0.754 0.000 1.001 209 V HN 0.710 nan 8.190 nan 0.000 0.428 210 V N 5.856 125.745 119.914 -0.040 0.000 2.407 210 V HA 0.441 4.557 4.120 -0.007 0.000 0.278 210 V C 0.517 176.669 176.094 0.098 0.000 1.037 210 V CA -0.732 61.600 62.300 0.054 0.000 0.900 210 V CB 1.262 33.108 31.823 0.037 0.000 0.983 210 V HN 0.763 nan 8.190 nan 0.000 0.459 211 R N 3.097 123.689 120.500 0.154 0.000 2.340 211 R HA 0.562 4.899 4.340 -0.007 0.000 0.300 211 R C 0.257 176.610 176.300 0.088 0.000 1.069 211 R CA -0.132 56.050 56.100 0.138 0.000 0.984 211 R CB 1.306 31.689 30.300 0.138 0.000 1.003 211 R HN 0.928 nan 8.270 nan 0.000 0.459 212 T N -2.083 112.519 114.554 0.080 0.000 2.865 212 T HA 0.422 4.768 4.350 -0.007 0.000 0.294 212 T C -0.468 174.272 174.700 0.067 0.000 1.119 212 T CA -0.825 61.316 62.100 0.068 0.000 1.007 212 T CB 2.051 70.960 68.868 0.069 0.000 1.225 212 T HN 0.320 nan 8.240 nan 0.000 0.515 213 S N 0.801 116.536 115.700 0.058 0.000 2.381 213 S HA 0.374 4.840 4.470 -0.007 0.000 0.193 213 S C -1.516 173.114 174.600 0.051 0.000 1.287 213 S CA -0.579 57.651 58.200 0.051 0.000 1.199 213 S CB 0.051 63.270 63.200 0.033 0.000 1.214 213 S HN 0.622 nan 8.310 nan 0.000 0.444 214 E N 4.786 125.031 120.200 0.074 0.000 2.145 214 E HA 0.413 4.759 4.350 -0.007 0.000 0.262 214 E C -2.622 174.022 176.600 0.074 0.000 0.883 214 E CA -2.083 54.361 56.400 0.072 0.000 0.748 214 E CB 1.857 31.609 29.700 0.087 0.000 1.140 214 E HN 0.428 nan 8.360 nan 0.000 0.417 215 P HA 0.190 nan 4.420 nan 0.000 0.278 215 P C -0.327 176.991 177.300 0.030 0.000 1.258 215 P CA -0.673 62.433 63.100 0.010 0.000 0.811 215 P CB 0.991 32.688 31.700 -0.004 0.000 1.063 216 N N 0.348 119.056 118.700 0.013 0.000 2.482 216 N HA 0.119 4.855 4.740 -0.007 0.000 0.260 216 N C -0.254 175.258 175.510 0.004 0.000 1.236 216 N CA 0.239 53.302 53.050 0.022 0.000 0.938 216 N CB -0.217 38.266 38.487 -0.006 0.000 1.128 216 N HN 0.345 nan 8.380 nan 0.000 0.448 217 D N -0.005 120.399 120.400 0.007 0.000 2.371 217 D HA 0.140 4.776 4.640 -0.007 0.000 0.242 217 D C 0.145 176.440 176.300 -0.007 0.000 1.218 217 D CA 0.103 54.104 54.000 0.001 0.000 0.945 217 D CB 0.587 41.389 40.800 0.003 0.000 1.137 217 D HN 0.408 nan 8.370 nan 0.000 0.464 218 E N -0.420 119.777 120.200 -0.005 0.000 2.232 218 E HA 0.358 4.705 4.350 -0.007 0.000 0.265 218 E C -0.882 175.717 176.600 -0.001 0.000 1.001 218 E CA -0.871 55.524 56.400 -0.009 0.000 0.870 218 E CB 0.881 30.577 29.700 -0.006 0.000 1.175 218 E HN 0.334 nan 8.360 nan 0.000 0.407 219 S N 2.278 117.976 115.700 -0.003 0.000 2.544 219 S HA 0.169 4.635 4.470 -0.007 0.000 0.290 219 S C -0.581 174.034 174.600 0.025 0.000 1.276 219 S CA -0.520 57.682 58.200 0.003 0.000 1.075 219 S CB 0.217 63.415 63.200 -0.003 0.000 0.849 219 S HN 0.373 nan 8.310 nan 0.000 0.494 220 D N 2.153 122.574 120.400 0.035 0.000 2.308 220 D HA 0.328 4.964 4.640 -0.007 0.000 0.242 220 D C -0.033 176.344 176.300 0.127 0.000 1.059 220 D CA -0.680 53.368 54.000 0.079 0.000 0.830 220 D CB 0.620 41.461 40.800 0.068 0.000 1.161 220 D HN 0.546 nan 8.370 nan 0.000 0.494 221 F N 2.307 122.251 119.950 -0.010 0.000 1.851 221 F HA -0.217 4.306 4.527 -0.007 0.000 0.369 221 F C -0.534 175.262 175.800 -0.007 0.000 0.894 221 F CA -0.310 57.684 58.000 -0.009 0.000 0.819 221 F CB -0.179 38.816 39.000 -0.009 0.000 0.680 221 F HN 0.368 nan 8.300 nan 0.000 0.605 222 A N 8.491 131.101 122.820 -0.351 0.000 3.159 222 A HA 0.516 4.832 4.320 -0.007 0.000 0.330 222 A C -2.136 175.193 177.584 -0.425 0.000 1.032 222 A CA -0.786 51.001 52.037 -0.417 0.000 0.841 222 A CB -0.295 18.601 19.000 -0.173 0.000 1.093 222 A HN 0.565 nan 8.150 nan 0.000 0.478 223 P HA 0.299 nan 4.420 nan 0.000 0.269 223 P C -0.433 176.751 177.300 -0.194 0.000 1.215 223 P CA -0.237 62.659 63.100 -0.339 0.000 0.780 223 P CB 0.956 32.450 31.700 -0.343 0.000 0.898 224 L N 1.916 123.088 121.223 -0.084 0.000 2.439 224 L HA 0.372 4.709 4.340 -0.007 0.000 0.261 224 L C 0.236 177.078 176.870 -0.048 0.000 1.153 224 L CA 0.485 55.289 54.840 -0.059 0.000 0.808 224 L CB 0.397 42.438 42.059 -0.029 0.000 1.126 224 L HN 0.530 nan 8.230 nan 0.000 0.460 225 D N 2.635 123.008 120.400 -0.046 0.000 2.936 225 D HA 0.381 5.017 4.640 -0.007 0.000 0.238 225 D C -2.066 174.211 176.300 -0.040 0.000 1.248 225 D CA -1.410 52.568 54.000 -0.037 0.000 0.903 225 D CB 2.174 42.947 40.800 -0.044 0.000 1.544 225 D HN 0.185 nan 8.370 nan 0.000 0.543 226 P HA -0.185 nan 4.420 nan 0.000 0.216 226 P C 1.446 178.698 177.300 -0.079 0.000 1.150 226 P CA 0.660 63.730 63.100 -0.051 0.000 0.843 226 P CB 0.354 32.027 31.700 -0.045 0.000 0.787 227 V N 0.876 120.739 119.914 -0.085 0.000 2.343 227 V HA -0.202 3.914 4.120 -0.007 0.000 0.247 227 V C 2.975 179.017 176.094 -0.088 0.000 1.051 227 V CA 2.733 64.964 62.300 -0.115 0.000 1.036 227 V CB -1.989 29.780 31.823 -0.090 0.000 0.654 227 V HN 0.323 nan 8.190 nan 0.000 0.451 228 T N -2.882 111.636 114.554 -0.060 0.000 2.904 228 T HA -0.185 4.161 4.350 -0.007 0.000 0.267 228 T C 1.823 176.499 174.700 -0.040 0.000 1.059 228 T CA 0.897 62.971 62.100 -0.045 0.000 1.137 228 T CB -0.210 68.634 68.868 -0.040 0.000 0.879 228 T HN 0.361 nan 8.240 nan 0.000 0.467 229 Q N 1.268 121.042 119.800 -0.043 0.000 2.050 229 Q HA 0.067 4.403 4.340 -0.007 0.000 0.202 229 Q C 2.804 178.782 176.000 -0.037 0.000 0.980 229 Q CA 1.841 57.624 55.803 -0.034 0.000 0.840 229 Q CB -0.977 27.742 28.738 -0.033 0.000 0.898 229 Q HN 0.725 nan 8.270 nan 0.000 0.424 230 A N 1.111 123.895 122.820 -0.061 0.000 1.845 230 A HA -0.175 4.141 4.320 -0.007 0.000 0.215 230 A C 2.227 179.782 177.584 -0.047 0.000 1.195 230 A CA 1.341 53.335 52.037 -0.071 0.000 0.616 230 A CB -0.853 18.064 19.000 -0.138 0.000 0.832 230 A HN 0.309 nan 8.150 nan 0.000 0.443 231 I N -0.261 120.278 120.570 -0.050 0.000 2.118 231 I HA -0.288 3.878 4.170 -0.007 0.000 0.241 231 I C 2.732 178.848 176.117 -0.002 0.000 1.070 231 I CA 1.392 62.680 61.300 -0.021 0.000 1.327 231 I CB -0.767 37.224 38.000 -0.016 0.000 1.034 231 I HN 0.433 nan 8.210 nan 0.000 0.405 232 G N 0.057 108.854 108.800 -0.005 0.000 2.440 232 G HA2 -0.357 3.599 3.960 -0.007 0.000 0.218 232 G HA3 -0.357 3.599 3.960 -0.007 0.000 0.218 232 G C 1.260 176.169 174.900 0.015 0.000 1.154 232 G CA 1.426 46.529 45.100 0.006 0.000 0.767 232 G HN 0.419 nan 8.290 nan 0.000 0.552 233 D N 0.336 120.741 120.400 0.009 0.000 2.117 233 D HA -0.100 4.536 4.640 -0.007 0.000 0.198 233 D C 2.334 178.655 176.300 0.035 0.000 0.982 233 D CA 1.080 55.090 54.000 0.017 0.000 0.828 233 D CB -0.059 40.746 40.800 0.008 0.000 0.967 233 D HN 0.126 nan 8.370 nan 0.000 0.464 234 N N -0.067 118.654 118.700 0.036 0.000 2.104 234 N HA -0.136 4.600 4.740 -0.007 0.000 0.190 234 N C 1.955 177.528 175.510 0.105 0.000 1.024 234 N CA 0.856 53.942 53.050 0.060 0.000 0.853 234 N CB -0.494 38.014 38.487 0.036 0.000 1.008 234 N HN 0.171 nan 8.380 nan 0.000 0.424 235 V N 1.545 121.511 119.914 0.086 0.000 2.261 235 V HA -0.211 3.905 4.120 -0.007 0.000 0.246 235 V C 2.465 178.652 176.094 0.154 0.000 1.047 235 V CA 1.909 64.287 62.300 0.131 0.000 1.015 235 V CB -1.086 30.782 31.823 0.075 0.000 0.642 235 V HN 0.313 nan 8.190 nan 0.000 0.446 236 A N -0.018 122.847 122.820 0.076 0.000 1.902 236 A HA -0.110 4.206 4.320 -0.007 0.000 0.217 236 A C 2.396 179.993 177.584 0.022 0.000 1.181 236 A CA 2.174 54.226 52.037 0.025 0.000 0.623 236 A CB -0.816 18.183 19.000 -0.001 0.000 0.818 236 A HN 0.589 nan 8.150 nan 0.000 0.443 237 A N -1.331 121.524 122.820 0.058 0.000 1.969 237 A HA 0.039 4.355 4.320 -0.007 0.000 0.218 237 A C 1.997 179.638 177.584 0.095 0.000 1.169 237 A CA 1.506 53.576 52.037 0.054 0.000 0.635 237 A CB -0.647 18.392 19.000 0.064 0.000 0.810 237 A HN 0.715 nan 8.150 nan 0.000 0.445 238 F N 0.431 120.386 119.950 0.008 0.000 2.113 238 F HA -0.119 4.404 4.527 -0.007 0.000 0.297 238 F C 1.725 177.542 175.800 0.028 0.000 1.103 238 F CA 1.368 59.382 58.000 0.024 0.000 1.248 238 F CB -0.469 38.553 39.000 0.037 0.000 0.999 238 F HN 0.132 nan 8.300 nan 0.000 0.475 239 L N 0.680 121.811 121.223 -0.153 0.000 1.989 239 L HA -0.177 4.159 4.340 -0.007 0.000 0.211 239 L C 2.915 179.650 176.870 -0.224 0.000 1.071 239 L CA 2.081 56.785 54.840 -0.227 0.000 0.749 239 L CB -1.675 40.397 42.059 0.022 0.000 0.890 239 L HN 0.324 nan 8.230 nan 0.000 0.431 240 V N -3.493 116.310 119.914 -0.186 0.000 2.407 240 V HA -0.249 3.867 4.120 -0.007 0.000 0.248 240 V C 2.555 178.563 176.094 -0.142 0.000 1.055 240 V CA 2.033 64.224 62.300 -0.182 0.000 1.049 240 V CB -1.102 30.634 31.823 -0.144 0.000 0.662 240 V HN 0.472 nan 8.190 nan 0.000 0.455 241 S N -0.534 115.087 115.700 -0.132 0.000 2.382 241 S HA -0.115 4.351 4.470 -0.007 0.000 0.228 241 S C 1.251 175.766 174.600 -0.141 0.000 1.027 241 S CA 0.877 59.017 58.200 -0.100 0.000 0.991 241 S CB -0.568 62.609 63.200 -0.038 0.000 0.823 241 S HN 0.792 nan 8.310 nan 0.000 0.469 245 A N 1.779 124.587 122.820 -0.020 0.000 2.169 245 A HA 0.455 4.771 4.320 -0.007 0.000 0.212 245 A C 1.657 179.247 177.584 0.010 0.000 1.153 245 A CA 1.199 53.234 52.037 -0.002 0.000 0.756 245 A CB -0.411 18.587 19.000 -0.003 0.000 0.813 245 A HN 1.005 nan 8.150 nan 0.000 0.471 246 G N -1.050 107.756 108.800 0.010 0.000 2.141 246 G HA2 -0.251 3.706 3.960 -0.007 0.000 0.242 246 G HA3 -0.251 3.706 3.960 -0.007 0.000 0.242 246 G C 0.786 175.716 174.900 0.051 0.000 0.982 246 G CA 0.465 45.581 45.100 0.027 0.000 0.662 246 G HN 0.504 nan 8.290 nan 0.000 0.527 247 R N -0.635 119.895 120.500 0.050 0.000 2.334 247 R HA 0.507 4.843 4.340 -0.007 0.000 0.216 247 R C 0.544 176.953 176.300 0.182 0.000 0.905 247 R CA 0.459 56.619 56.100 0.100 0.000 1.064 247 R CB 0.363 30.706 30.300 0.071 0.000 1.046 247 R HN 0.485 nan 8.270 nan 0.000 0.508 248 I N 1.539 122.168 120.570 0.097 0.000 2.644 248 I HA 0.265 4.431 4.170 -0.007 0.000 0.291 248 I C -2.415 173.708 176.117 0.009 0.000 1.180 248 I CA -2.592 58.726 61.300 0.031 0.000 1.040 248 I CB 2.659 40.656 38.000 -0.003 0.000 1.255 248 I HN -0.182 nan 8.210 nan 0.000 0.422 249 P HA 0.057 nan 4.420 nan 0.000 0.265 249 P C 0.092 177.407 177.300 0.025 0.000 1.193 249 P CA -0.214 62.886 63.100 -0.000 0.000 0.765 249 P CB 0.965 32.650 31.700 -0.026 0.000 0.823 250 K N 1.601 122.015 120.400 0.023 0.000 2.173 250 K HA -0.169 4.147 4.320 -0.007 0.000 0.207 250 K C 1.080 177.702 176.600 0.038 0.000 1.046 250 K CA 1.631 57.929 56.287 0.018 0.000 0.929 250 K CB -0.415 32.090 32.500 0.009 0.000 0.720 250 K HN 0.466 nan 8.250 nan 0.000 0.453 251 D N -1.032 119.402 120.400 0.058 0.000 2.328 251 D HA 0.065 4.701 4.640 -0.007 0.000 0.226 251 D C 0.274 176.695 176.300 0.201 0.000 1.066 251 D CA 0.105 54.159 54.000 0.090 0.000 0.861 251 D CB -0.084 40.753 40.800 0.062 0.000 0.912 251 D HN 0.153 nan 8.370 nan 0.000 0.521 252 F N -1.157 118.758 119.950 -0.058 0.000 2.183 252 F HA -0.342 4.182 4.527 -0.006 0.000 0.318 252 F C -1.167 174.569 175.800 -0.106 0.000 0.255 252 F CA -0.375 57.575 58.000 -0.084 0.000 0.912 252 F CB -0.322 38.658 39.000 -0.033 0.000 4.135 252 F HN -0.120 nan 8.300 nan 0.000 0.137 253 L N 0.634 121.538 121.223 -0.532 0.000 2.502 253 L HA 0.600 4.936 4.340 -0.007 0.000 0.253 253 L C -2.414 174.187 176.870 -0.449 0.000 1.070 253 L CA -1.812 52.759 54.840 -0.447 0.000 0.871 253 L CB 1.306 43.047 42.059 -0.529 0.000 1.487 253 L HN 0.181 nan 8.230 nan 0.000 0.408 254 P HA 0.366 nan 4.420 nan 0.000 0.271 254 P C -1.063 176.165 177.300 -0.120 0.000 1.218 254 P CA -0.030 63.035 63.100 -0.059 0.000 0.780 254 P CB 0.471 32.191 31.700 0.033 0.000 0.901 255 L N 1.911 123.120 121.223 -0.024 0.000 2.319 255 L HA 0.608 4.944 4.340 -0.007 0.000 0.267 255 L C 0.027 176.882 176.870 -0.024 0.000 1.011 255 L CA -0.776 54.017 54.840 -0.077 0.000 0.818 255 L CB 1.892 43.881 42.059 -0.116 0.000 1.316 255 L HN 0.309 nan 8.230 nan 0.000 0.432 256 Q N 1.948 121.676 119.800 -0.119 0.000 2.289 256 Q HA 0.546 4.882 4.340 -0.007 0.000 0.270 256 Q C -1.667 174.178 176.000 -0.258 0.000 1.038 256 Q CA -0.343 55.301 55.803 -0.264 0.000 0.812 256 Q CB 2.571 30.972 28.738 -0.561 0.000 1.300 256 Q HN 0.783 nan 8.270 nan 0.000 0.427 257 S N 1.526 117.090 115.700 -0.227 0.000 2.588 257 S HA 0.877 5.343 4.470 -0.007 0.000 0.275 257 S C 0.033 174.542 174.600 -0.151 0.000 1.130 257 S CA -0.161 57.941 58.200 -0.164 0.000 0.855 257 S CB 1.532 64.684 63.200 -0.081 0.000 1.116 257 S HN 0.700 nan 8.310 nan 0.000 0.472 258 G N 0.273 109.010 108.800 -0.105 0.000 2.494 258 G HA2 0.556 4.512 3.960 -0.007 0.000 0.270 258 G HA3 0.556 4.512 3.960 -0.007 0.000 0.270 258 G C -0.793 174.088 174.900 -0.033 0.000 1.423 258 G CA -0.637 44.427 45.100 -0.060 0.000 1.055 258 G HN 0.925 nan 8.290 nan 0.000 0.536 259 V N -0.387 119.521 119.914 -0.010 0.000 2.667 259 V HA 0.863 4.979 4.120 -0.007 0.000 0.308 259 V C 0.762 176.854 176.094 -0.002 0.000 1.048 259 V CA 0.783 63.080 62.300 -0.005 0.000 0.928 259 V CB 0.770 32.593 31.823 0.000 0.000 1.004 259 V HN 1.701 nan 8.190 nan 0.000 0.444 260 G N 3.094 111.887 108.800 -0.010 0.000 2.361 260 G HA2 -0.074 3.882 3.960 -0.007 0.000 0.331 260 G HA3 -0.074 3.882 3.960 -0.007 0.000 0.331 260 G C -0.040 174.844 174.900 -0.026 0.000 1.324 260 G CA -0.074 45.016 45.100 -0.016 0.000 0.984 260 G HN 0.570 nan 8.290 nan 0.000 0.586 261 N N -0.937 117.740 118.700 -0.037 0.000 2.120 261 N HA -0.105 4.631 4.740 -0.007 0.000 0.188 261 N C 2.366 177.856 175.510 -0.032 0.000 1.024 261 N CA 1.421 54.443 53.050 -0.048 0.000 0.852 261 N CB 0.007 38.455 38.487 -0.065 0.000 1.003 261 N HN 0.314 nan 8.380 nan 0.000 0.424 262 V N 1.594 121.494 119.914 -0.023 0.000 2.261 262 V HA -0.250 3.866 4.120 -0.007 0.000 0.246 262 V C 2.462 178.550 176.094 -0.011 0.000 1.047 262 V CA 1.977 64.268 62.300 -0.015 0.000 1.015 262 V CB -1.010 30.810 31.823 -0.006 0.000 0.642 262 V HN 0.340 nan 8.190 nan 0.000 0.446 263 A N 0.449 123.262 122.820 -0.012 0.000 1.903 263 A HA -0.356 3.960 4.320 -0.007 0.000 0.219 263 A C 2.039 179.623 177.584 0.000 0.000 1.191 263 A CA 2.692 54.723 52.037 -0.010 0.000 0.638 263 A CB -1.104 17.887 19.000 -0.015 0.000 0.823 263 A HN 0.722 nan 8.150 nan 0.000 0.451 264 N N -0.170 118.527 118.700 -0.005 0.000 2.104 264 N HA -0.106 4.630 4.740 -0.007 0.000 0.190 264 N C 1.949 177.462 175.510 0.007 0.000 1.024 264 N CA 1.054 54.104 53.050 0.000 0.000 0.853 264 N CB -0.256 38.221 38.487 -0.016 0.000 1.008 264 N HN 0.545 nan 8.380 nan 0.000 0.424 265 A N 0.770 123.588 122.820 -0.003 0.000 1.898 265 A HA -0.056 4.260 4.320 -0.007 0.000 0.216 265 A C 2.423 180.014 177.584 0.012 0.000 1.181 265 A CA 0.953 52.990 52.037 -0.001 0.000 0.620 265 A CB -0.659 18.333 19.000 -0.012 0.000 0.819 265 A HN 0.081 nan 8.150 nan 0.000 0.442 266 V N 0.231 120.153 119.914 0.012 0.000 2.261 266 V HA -0.280 3.836 4.120 -0.007 0.000 0.246 266 V C 2.592 178.708 176.094 0.037 0.000 1.047 266 V CA 2.083 64.393 62.300 0.018 0.000 1.015 266 V CB -0.836 30.992 31.823 0.007 0.000 0.642 266 V HN 0.577 nan 8.190 nan 0.000 0.446 267 L N 0.297 121.554 121.223 0.057 0.000 2.042 267 L HA -0.140 4.196 4.340 -0.007 0.000 0.210 267 L C 2.640 179.584 176.870 0.124 0.000 1.076 267 L CA 1.878 56.790 54.840 0.121 0.000 0.749 267 L CB -1.181 40.949 42.059 0.118 0.000 0.893 267 L HN 0.487 nan 8.230 nan 0.000 0.432 268 G N -0.630 108.214 108.800 0.073 0.000 2.421 268 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.216 268 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.216 268 G C 1.774 176.709 174.900 0.059 0.000 1.171 268 G CA 0.810 45.947 45.100 0.061 0.000 0.775 268 G HN 0.474 nan 8.290 nan 0.000 0.543 269 A N 0.678 123.524 122.820 0.043 0.000 1.883 269 A HA 0.025 4.341 4.320 -0.007 0.000 0.217 269 A C 2.465 180.070 177.584 0.036 0.000 1.186 269 A CA 1.470 53.526 52.037 0.031 0.000 0.624 269 A CB -0.486 18.526 19.000 0.020 0.000 0.822 269 A HN 0.361 nan 8.150 nan 0.000 0.444 270 L N -0.715 120.537 121.223 0.048 0.000 2.012 270 L HA -0.159 4.177 4.340 -0.007 0.000 0.210 270 L C 2.838 179.795 176.870 0.144 0.000 1.073 270 L CA 1.241 56.105 54.840 0.040 0.000 0.748 270 L CB -0.859 41.186 42.059 -0.023 0.000 0.891 270 L HN 0.493 nan 8.230 nan 0.000 0.431 271 G N -0.869 108.048 108.800 0.196 0.000 2.432 271 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.219 271 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.219 271 G C 1.086 176.039 174.900 0.088 0.000 1.135 271 G CA 0.801 46.003 45.100 0.169 0.000 0.767 271 G HN 0.288 nan 8.290 nan 0.000 0.550 272 D N -0.321 120.115 120.400 0.060 0.000 2.348 272 D HA 0.015 4.651 4.640 -0.007 0.000 0.211 272 D C 0.587 176.898 176.300 0.018 0.000 0.998 272 D CA -0.010 54.010 54.000 0.033 0.000 0.873 272 D CB 0.055 40.870 40.800 0.025 0.000 0.925 272 D HN 0.125 nan 8.370 nan 0.000 0.524 273 N N 1.423 120.131 118.700 0.013 0.000 2.437 273 N HA 0.059 4.795 4.740 -0.007 0.000 0.243 273 N C -1.760 173.737 175.510 -0.022 0.000 1.041 273 N CA -1.540 51.502 53.050 -0.014 0.000 0.940 273 N CB 1.862 40.327 38.487 -0.036 0.000 1.133 273 N HN -0.076 nan 8.380 nan 0.000 0.506 274 P HA -0.102 nan 4.420 nan 0.000 0.221 274 P C 0.224 177.498 177.300 -0.043 0.000 1.145 274 P CA 1.005 64.093 63.100 -0.019 0.000 0.795 274 P CB 0.540 32.232 31.700 -0.013 0.000 0.775 275 D N -0.560 119.801 120.400 -0.066 0.000 2.363 275 D HA 0.022 4.658 4.640 -0.007 0.000 0.220 275 D C 0.744 176.941 176.300 -0.173 0.000 0.994 275 D CA 0.515 54.456 54.000 -0.097 0.000 0.890 275 D CB 0.152 40.896 40.800 -0.092 0.000 0.906 275 D HN 0.201 nan 8.370 nan 0.000 0.530 276 I N 3.854 124.312 120.570 -0.186 0.000 2.297 276 I HA 0.153 4.319 4.170 -0.007 0.000 0.291 276 I C -1.987 174.037 176.117 -0.155 0.000 1.033 276 I CA -2.149 58.951 61.300 -0.333 0.000 1.253 276 I CB 0.927 38.745 38.000 -0.303 0.000 1.396 276 I HN -0.251 nan 8.210 nan 0.000 0.476 277 P HA 0.116 nan 4.420 nan 0.000 0.272 277 P C -0.323 177.098 177.300 0.202 0.000 1.223 277 P CA -0.442 62.672 63.100 0.022 0.000 0.784 277 P CB 0.867 32.581 31.700 0.024 0.000 0.923 278 A N 2.926 125.837 122.820 0.152 0.000 2.584 278 A HA 0.290 4.606 4.320 -0.007 0.000 0.239 278 A C 0.185 177.914 177.584 0.242 0.000 1.043 278 A CA 0.391 52.501 52.037 0.121 0.000 0.756 278 A CB -1.205 17.817 19.000 0.036 0.000 0.963 278 A HN 0.526 nan 8.150 nan 0.000 0.511 279 F N 0.655 120.695 119.950 0.150 0.000 2.631 279 F HA 0.771 5.294 4.527 -0.007 0.000 0.328 279 F C -0.291 175.594 175.800 0.143 0.000 1.067 279 F CA -1.454 56.664 58.000 0.197 0.000 0.969 279 F CB 1.244 40.459 39.000 0.359 0.000 1.332 279 F HN 0.522 nan 8.300 nan 0.000 0.490 283 T N -2.720 111.750 114.554 -0.140 0.000 2.893 283 T HA 0.470 4.816 4.350 -0.007 0.000 0.281 283 T C 0.838 175.446 174.700 -0.154 0.000 1.027 283 T CA -0.198 61.777 62.100 -0.209 0.000 0.953 283 T CB 1.856 70.625 68.868 -0.164 0.000 1.434 283 T HN 0.400 nan 8.240 nan 0.000 0.597 284 E N -0.581 119.550 120.200 -0.116 0.000 2.083 284 E HA 0.246 4.592 4.350 -0.007 0.000 0.193 284 E C 0.481 177.090 176.600 0.015 0.000 0.950 284 E CA 0.240 56.639 56.400 -0.002 0.000 0.849 284 E CB 0.418 30.228 29.700 0.184 0.000 0.827 284 E HN 0.460 nan 8.360 nan 0.000 0.465 285 V N 0.975 120.931 119.914 0.070 0.000 2.495 285 V HA 0.441 4.557 4.120 -0.007 0.000 0.298 285 V C -0.816 175.282 176.094 0.005 0.000 1.031 285 V CA -0.762 61.589 62.300 0.084 0.000 0.871 285 V CB 1.337 33.248 31.823 0.146 0.000 0.988 285 V HN 0.083 nan 8.190 nan 0.000 0.432 286 I N 7.635 128.198 120.570 -0.012 0.000 2.312 286 I HA 0.381 4.547 4.170 -0.007 0.000 0.291 286 I C 0.500 176.604 176.117 -0.020 0.000 1.031 286 I CA -0.289 60.991 61.300 -0.033 0.000 1.293 286 I CB 1.150 39.111 38.000 -0.065 0.000 1.403 286 I HN 0.825 nan 8.210 nan 0.000 0.484 287 Q N 4.688 124.479 119.800 -0.015 0.000 2.207 287 Q HA 0.298 4.634 4.340 -0.007 0.000 0.237 287 Q C -0.221 175.769 176.000 -0.016 0.000 0.998 287 Q CA -0.637 55.157 55.803 -0.014 0.000 0.951 287 Q CB 1.078 29.811 28.738 -0.008 0.000 1.213 287 Q HN 0.440 nan 8.270 nan 0.000 0.499 288 D N 1.019 121.407 120.400 -0.020 0.000 2.116 288 D HA -0.150 4.486 4.640 -0.007 0.000 0.193 288 D C 1.804 178.105 176.300 0.003 0.000 0.998 288 D CA 2.383 56.372 54.000 -0.018 0.000 0.836 288 D CB -0.497 40.290 40.800 -0.022 0.000 0.951 288 D HN 0.689 nan 8.370 nan 0.000 0.449 289 A N 0.489 123.313 122.820 0.007 0.000 1.948 289 A HA -0.196 4.120 4.320 -0.007 0.000 0.220 289 A C 2.521 180.129 177.584 0.039 0.000 1.177 289 A CA 1.559 53.610 52.037 0.024 0.000 0.636 289 A CB -0.765 18.250 19.000 0.025 0.000 0.815 289 A HN 0.185 nan 8.150 nan 0.000 0.449 290 V N 0.452 120.386 119.914 0.033 0.000 2.323 290 V HA -0.207 3.910 4.120 -0.007 0.000 0.244 290 V C 2.423 178.540 176.094 0.037 0.000 1.041 290 V CA 1.607 63.926 62.300 0.032 0.000 1.025 290 V CB -0.593 31.237 31.823 0.012 0.000 0.656 290 V HN 0.525 nan 8.190 nan 0.000 0.451 291 I N 0.864 121.464 120.570 0.051 0.000 2.208 291 I HA -0.240 3.926 4.170 -0.007 0.000 0.245 291 I C 2.731 178.935 176.117 0.146 0.000 1.097 291 I CA 1.985 63.360 61.300 0.125 0.000 1.363 291 I CB -1.733 36.306 38.000 0.065 0.000 1.051 291 I HN 0.313 nan 8.210 nan 0.000 0.413 292 A N 1.238 124.106 122.820 0.081 0.000 1.883 292 A HA -0.113 4.203 4.320 -0.007 0.000 0.217 292 A C 1.726 179.345 177.584 0.059 0.000 1.186 292 A CA 0.873 52.950 52.037 0.066 0.000 0.624 292 A CB -0.806 18.218 19.000 0.040 0.000 0.822 292 A HN 0.303 nan 8.150 nan 0.000 0.444 296 K N 1.193 121.609 120.400 0.026 0.000 2.410 296 K HA 0.153 4.469 4.320 -0.007 0.000 0.200 296 K C 0.834 177.444 176.600 0.016 0.000 1.023 296 K CA 0.658 56.948 56.287 0.006 0.000 1.149 296 K CB 0.885 33.388 32.500 0.006 0.000 0.859 296 K HN 0.378 nan 8.250 nan 0.000 0.514 297 G N 2.475 111.302 108.800 0.046 0.000 2.175 297 G HA2 -0.359 3.597 3.960 -0.007 0.000 0.265 297 G HA3 -0.359 3.597 3.960 -0.007 0.000 0.265 297 G C 1.002 175.884 174.900 -0.029 0.000 0.979 297 G CA 0.999 46.115 45.100 0.028 0.000 0.663 297 G HN 0.313 nan 8.290 nan 0.000 0.533 298 R N 0.306 120.775 120.500 -0.053 0.000 2.090 298 R HA 0.250 4.586 4.340 -0.007 0.000 0.228 298 R C 1.152 177.251 176.300 -0.337 0.000 1.110 298 R CA 1.223 57.258 56.100 -0.108 0.000 0.973 298 R CB -0.126 30.144 30.300 -0.050 0.000 0.869 298 R HN 0.497 nan 8.270 nan 0.000 0.440 299 I N 1.350 121.714 120.570 -0.344 0.000 2.362 299 I HA 0.167 4.333 4.170 -0.007 0.000 0.289 299 I C 0.555 176.540 176.117 -0.220 0.000 0.994 299 I CA -0.478 60.524 61.300 -0.497 0.000 1.158 299 I CB 2.096 39.840 38.000 -0.427 0.000 1.315 299 I HN 0.105 nan 8.210 nan 0.000 0.451 300 K N 4.666 124.976 120.400 -0.151 0.000 2.167 300 K HA 0.113 4.429 4.320 -0.007 0.000 0.203 300 K C -0.211 176.428 176.600 0.066 0.000 1.052 300 K CA 1.154 57.421 56.287 -0.033 0.000 0.956 300 K CB 0.367 32.875 32.500 0.014 0.000 0.735 300 K HN 0.435 nan 8.250 nan 0.000 0.451 301 F N -1.010 118.878 119.950 -0.104 0.000 2.693 301 F HA 0.506 5.029 4.527 -0.007 0.000 0.309 301 F C -2.119 173.661 175.800 -0.033 0.000 1.129 301 F CA -1.107 56.852 58.000 -0.069 0.000 0.948 301 F CB 1.393 40.371 39.000 -0.037 0.000 1.315 301 F HN -0.226 nan 8.300 nan 0.000 0.447 302 A N 2.995 125.217 122.820 -0.998 0.000 2.375 302 A HA 0.647 4.963 4.320 -0.007 0.000 0.295 302 A C -1.448 175.699 177.584 -0.728 0.000 1.066 302 A CA -0.423 51.269 52.037 -0.576 0.000 0.722 302 A CB 1.405 20.207 19.000 -0.329 0.000 1.206 302 A HN 0.804 nan 8.150 nan 0.000 0.435 303 S N 1.562 117.109 115.700 -0.256 0.000 2.475 303 S HA 0.869 5.336 4.470 -0.007 0.000 0.298 303 S C 0.262 174.711 174.600 -0.251 0.000 1.119 303 S CA 0.356 58.468 58.200 -0.146 0.000 1.085 303 S CB 1.159 64.420 63.200 0.102 0.000 1.028 303 S HN 1.941 nan 8.310 nan 0.000 0.489 304 G N 0.886 109.542 108.800 -0.239 0.000 2.619 304 G HA2 0.376 4.332 3.960 -0.007 0.000 0.305 304 G HA3 0.376 4.332 3.960 -0.007 0.000 0.305 304 G C -0.053 174.718 174.900 -0.216 0.000 1.330 304 G CA -0.001 44.964 45.100 -0.225 0.000 0.789 304 G HN 0.769 nan 8.290 nan 0.000 0.487 305 C N -0.050 119.097 119.300 -0.254 0.000 3.019 305 C HA 0.694 5.150 4.460 -0.007 0.000 0.295 305 C C 0.960 175.859 174.990 -0.151 0.000 1.256 305 C CA 0.995 59.797 59.018 -0.359 0.000 1.706 305 C CB -1.175 25.981 27.740 -0.973 0.000 2.153 305 C HN 1.226 nan 8.230 nan 0.000 0.618 306 S N -0.037 115.653 115.700 -0.017 0.000 2.547 306 S HA 0.592 5.058 4.470 -0.007 0.000 0.270 306 S C -1.377 173.253 174.600 0.049 0.000 1.150 306 S CA -0.528 57.733 58.200 0.100 0.000 0.850 306 S CB 1.274 64.646 63.200 0.286 0.000 1.118 306 S HN 0.194 nan 8.310 nan 0.000 0.461 307 L N 2.481 123.728 121.223 0.039 0.000 2.371 307 L HA 0.599 4.935 4.340 -0.007 0.000 0.262 307 L C -0.461 176.417 176.870 0.012 0.000 1.054 307 L CA 0.088 54.928 54.840 -0.001 0.000 0.924 307 L CB 0.809 42.854 42.059 -0.024 0.000 1.295 307 L HN 0.766 nan 8.230 nan 0.000 0.441 308 S N 4.149 119.858 115.700 0.016 0.000 3.170 308 S HA 0.476 4.942 4.470 -0.007 0.000 0.257 308 S C -0.106 174.485 174.600 -0.015 0.000 1.284 308 S CA -0.469 57.738 58.200 0.013 0.000 0.973 308 S CB -0.030 63.185 63.200 0.025 0.000 1.330 308 S HN 0.490 nan 8.310 nan 0.000 0.493 309 V N 0.320 120.213 119.914 -0.036 0.000 3.019 309 V HA 0.814 4.930 4.120 -0.007 0.000 0.317 309 V C 0.341 176.399 176.094 -0.060 0.000 1.094 309 V CA -1.230 61.034 62.300 -0.060 0.000 1.000 309 V CB 1.478 33.238 31.823 -0.105 0.000 1.060 309 V HN 0.583 nan 8.190 nan 0.000 0.443 310 S N 1.578 117.243 115.700 -0.059 0.000 2.596 310 S HA 0.245 4.711 4.470 -0.007 0.000 0.260 310 S C 1.070 175.625 174.600 -0.075 0.000 1.336 310 S CA 0.334 58.503 58.200 -0.051 0.000 0.993 310 S CB 0.597 63.773 63.200 -0.040 0.000 0.923 310 S HN 1.041 nan 8.310 nan 0.000 0.567 311 R N 0.449 120.913 120.500 -0.060 0.000 2.105 311 R HA -0.129 4.207 4.340 -0.007 0.000 0.239 311 R C 2.440 178.684 176.300 -0.093 0.000 1.135 311 R CA 1.769 57.824 56.100 -0.074 0.000 0.967 311 R CB -0.822 29.451 30.300 -0.046 0.000 0.861 311 R HN 0.769 nan 8.270 nan 0.000 0.442 312 S N -0.436 115.220 115.700 -0.073 0.000 2.368 312 S HA -0.086 4.380 4.470 -0.007 0.000 0.225 312 S C 1.882 176.419 174.600 -0.105 0.000 1.030 312 S CA 1.456 59.613 58.200 -0.071 0.000 0.999 312 S CB -0.106 63.067 63.200 -0.046 0.000 0.844 312 S HN 0.255 nan 8.310 nan 0.000 0.459 313 V N 1.341 121.182 119.914 -0.123 0.000 2.379 313 V HA -0.040 4.076 4.120 -0.007 0.000 0.245 313 V C 2.341 178.263 176.094 -0.287 0.000 1.044 313 V CA 1.574 63.772 62.300 -0.170 0.000 1.036 313 V CB -0.607 31.133 31.823 -0.139 0.000 0.664 313 V HN 0.520 nan 8.190 nan 0.000 0.453 314 I N 0.035 120.421 120.570 -0.308 0.000 2.394 314 I HA -0.229 3.937 4.170 -0.007 0.000 0.251 314 I C 2.413 178.172 176.117 -0.596 0.000 1.136 314 I CA 1.661 62.649 61.300 -0.520 0.000 1.425 314 I CB -0.350 37.379 38.000 -0.451 0.000 1.079 314 I HN 0.357 nan 8.210 nan 0.000 0.425 315 Q N -0.559 119.052 119.800 -0.314 0.000 2.172 315 Q HA -0.218 4.119 4.340 -0.007 0.000 0.200 315 Q C 1.788 177.710 176.000 -0.130 0.000 0.964 315 Q CA 1.623 57.325 55.803 -0.169 0.000 0.855 315 Q CB -0.219 28.469 28.738 -0.083 0.000 0.918 315 Q HN 0.536 nan 8.270 nan 0.000 0.444 316 D N 0.848 121.146 120.400 -0.170 0.000 2.144 316 D HA -0.117 4.519 4.640 -0.007 0.000 0.200 316 D C 1.663 177.856 176.300 -0.178 0.000 0.978 316 D CA 0.905 54.836 54.000 -0.116 0.000 0.833 316 D CB 0.003 40.742 40.800 -0.101 0.000 0.961 316 D HN 0.167 nan 8.370 nan 0.000 0.470 317 I N -0.545 119.746 120.570 -0.466 0.000 2.163 317 I HA -0.273 3.893 4.170 -0.007 0.000 0.240 317 I C 1.931 178.018 176.117 -0.050 0.000 1.081 317 I CA 0.966 61.872 61.300 -0.657 0.000 1.353 317 I CB -0.483 37.039 38.000 -0.797 0.000 1.054 317 I HN 0.131 nan 8.210 nan 0.000 0.407 318 Y N 0.448 120.685 120.300 -0.105 0.000 2.403 318 Y HA -0.184 4.362 4.550 -0.007 0.000 0.291 318 Y C 2.475 178.384 175.900 0.016 0.000 1.143 318 Y CA 0.170 58.255 58.100 -0.025 0.000 1.257 318 Y CB -0.180 38.256 38.460 -0.040 0.000 0.984 318 Y HN 0.213 nan 8.280 nan 0.000 0.550 319 A N -0.567 122.355 122.820 0.170 0.000 2.238 319 A HA 0.039 4.355 4.320 -0.007 0.000 0.210 319 A C 0.699 178.377 177.584 0.157 0.000 1.179 319 A CA 0.298 52.411 52.037 0.128 0.000 0.827 319 A CB 0.001 19.050 19.000 0.081 0.000 0.856 319 A HN 0.295 nan 8.150 nan 0.000 0.488 320 N N 0.174 119.016 118.700 0.237 0.000 2.646 320 N HA 0.167 4.903 4.740 -0.007 0.000 0.303 320 N C -0.167 175.610 175.510 0.444 0.000 1.921 320 N CA -0.216 53.035 53.050 0.335 0.000 0.872 320 N CB 1.058 39.815 38.487 0.451 0.000 1.327 320 N HN 0.087 nan 8.380 nan 0.000 0.492 321 L N 1.331 122.734 121.223 0.300 0.000 2.353 321 L HA -0.125 4.211 4.340 -0.007 0.000 0.220 321 L C 2.057 179.056 176.870 0.214 0.000 1.133 321 L CA 1.529 56.529 54.840 0.266 0.000 0.798 321 L CB -0.368 41.793 42.059 0.170 0.000 0.922 321 L HN 0.322 nan 8.230 nan 0.000 0.445 322 D N -1.617 118.901 120.400 0.197 0.000 2.182 322 D HA -0.296 4.340 4.640 -0.007 0.000 0.201 322 D C 2.076 178.466 176.300 0.151 0.000 0.986 322 D CA 1.336 55.423 54.000 0.145 0.000 0.847 322 D CB -0.384 40.494 40.800 0.129 0.000 0.942 322 D HN 0.398 nan 8.370 nan 0.000 0.467 323 F N -0.057 119.889 119.950 -0.006 0.000 2.383 323 F HA 0.172 4.695 4.527 -0.006 0.000 0.287 323 F C 1.804 177.442 175.800 -0.270 0.000 1.069 323 F CA 0.124 58.002 58.000 -0.202 0.000 1.402 323 F CB 0.000 38.758 39.000 -0.403 0.000 1.116 323 F HN -0.273 nan 8.300 nan 0.000 0.549 324 F N 0.689 120.659 119.950 0.032 0.000 2.335 324 F HA 0.102 4.625 4.527 -0.007 0.000 0.296 324 F C 2.334 178.085 175.800 -0.081 0.000 1.091 324 F CA 0.879 58.831 58.000 -0.079 0.000 1.399 324 F CB -0.793 38.241 39.000 0.056 0.000 1.067 324 F HN -0.196 nan 8.300 nan 0.000 0.520 325 K N 0.837 121.334 120.400 0.162 0.000 2.077 325 K HA -0.248 4.068 4.320 -0.007 0.000 0.213 325 K C 1.330 177.961 176.600 0.051 0.000 1.051 325 K CA 2.167 58.510 56.287 0.093 0.000 0.929 325 K CB -0.355 32.197 32.500 0.087 0.000 0.715 325 K HN 0.363 nan 8.250 nan 0.000 0.451 326 D N -0.988 119.424 120.400 0.020 0.000 2.328 326 D HA -0.051 4.585 4.640 -0.007 0.000 0.226 326 D C 0.607 176.976 176.300 0.116 0.000 1.066 326 D CA 0.414 54.444 54.000 0.050 0.000 0.861 326 D CB 0.364 41.166 40.800 0.004 0.000 0.912 326 D HN 0.266 nan 8.370 nan 0.000 0.521 327 K N -0.104 120.309 120.400 0.021 0.000 2.412 327 K HA 0.311 4.627 4.320 -0.007 0.000 0.202 327 K C 0.432 176.798 176.600 -0.389 0.000 1.102 327 K CA 0.010 56.289 56.287 -0.014 0.000 1.027 327 K CB 1.614 33.960 32.500 -0.255 0.000 0.931 327 K HN 0.084 nan 8.250 nan 0.000 0.557 328 I N 1.654 122.063 120.570 -0.268 0.000 2.509 328 I HA 0.333 4.499 4.170 -0.007 0.000 0.293 328 I C -1.390 174.574 176.117 -0.254 0.000 1.020 328 I CA -1.255 59.814 61.300 -0.386 0.000 1.088 328 I CB 2.010 39.914 38.000 -0.160 0.000 1.267 328 I HN -0.156 nan 8.210 nan 0.000 0.430 329 L N 7.157 128.203 121.223 -0.295 0.000 2.476 329 L HA 0.535 4.871 4.340 -0.007 0.000 0.269 329 L C -1.437 175.378 176.870 -0.092 0.000 0.965 329 L CA -0.131 54.675 54.840 -0.057 0.000 0.845 329 L CB 1.727 43.936 42.059 0.250 0.000 1.259 329 L HN 0.421 nan 8.230 nan 0.000 0.403 330 L N 5.309 126.480 121.223 -0.087 0.000 2.295 330 L HA 0.651 4.987 4.340 -0.007 0.000 0.285 330 L C -0.125 176.737 176.870 -0.013 0.000 1.035 330 L CA -0.642 54.164 54.840 -0.057 0.000 0.806 330 L CB 1.465 43.514 42.059 -0.016 0.000 1.214 330 L HN 0.626 nan 8.230 nan 0.000 0.426 331 R N 2.668 123.136 120.500 -0.053 0.000 2.892 331 R HA 0.581 4.917 4.340 -0.007 0.000 0.265 331 R C -2.669 173.602 176.300 -0.047 0.000 1.025 331 R CA -2.049 54.025 56.100 -0.043 0.000 0.982 331 R CB 1.311 31.593 30.300 -0.030 0.000 1.185 331 R HN 0.282 nan 8.270 nan 0.000 0.484 332 P HA -0.031 nan 4.420 nan 0.000 0.272 332 P C -0.071 177.221 177.300 -0.014 0.000 1.223 332 P CA -0.256 62.858 63.100 0.024 0.000 0.784 332 P CB 0.621 32.393 31.700 0.121 0.000 0.923 333 Q N 1.628 121.360 119.800 -0.114 0.000 2.364 333 Q HA -0.246 4.090 4.340 -0.007 0.000 0.209 333 Q C 1.545 177.503 176.000 -0.070 0.000 0.977 333 Q CA 1.494 57.197 55.803 -0.167 0.000 0.885 333 Q CB -0.592 28.051 28.738 -0.158 0.000 0.941 333 Q HN 0.552 nan 8.270 nan 0.000 0.464 334 E N 0.081 120.262 120.200 -0.033 0.000 2.204 334 E HA -0.188 4.158 4.350 -0.007 0.000 0.194 334 E C 0.733 177.175 176.600 -0.264 0.000 0.989 334 E CA 1.072 57.386 56.400 -0.142 0.000 0.824 334 E CB 0.033 29.634 29.700 -0.164 0.000 0.756 334 E HN 0.578 nan 8.360 nan 0.000 0.477 335 Y N -0.381 119.887 120.300 -0.054 0.000 2.464 335 Y HA 0.050 4.596 4.550 -0.006 0.000 0.288 335 Y C 2.743 178.652 175.900 0.016 0.000 1.133 335 Y CA 0.740 58.833 58.100 -0.011 0.000 1.223 335 Y CB -0.077 38.382 38.460 -0.001 0.000 1.187 335 Y HN 0.136 nan 8.280 nan 0.000 0.539 336 S N 0.233 115.973 115.700 0.067 0.000 2.419 336 S HA -0.161 4.305 4.470 -0.007 0.000 0.235 336 S C 0.985 175.576 174.600 -0.015 0.000 1.019 336 S CA 1.779 59.912 58.200 -0.112 0.000 0.982 336 S CB -0.438 62.633 63.200 -0.215 0.000 0.789 336 S HN 0.379 nan 8.310 nan 0.000 0.490 337 N N 1.430 120.079 118.700 -0.084 0.000 2.234 337 N HA 0.244 4.980 4.740 -0.007 0.000 0.227 337 N C -0.590 174.729 175.510 -0.318 0.000 1.151 337 N CA -0.209 52.634 53.050 -0.345 0.000 0.865 337 N CB -0.053 38.287 38.487 -0.245 0.000 1.066 337 N HN 0.378 nan 8.380 nan 0.000 0.515 338 N N 1.812 120.430 118.700 -0.136 0.000 2.468 338 N HA 0.044 4.780 4.740 -0.007 0.000 0.265 338 N C -1.677 173.751 175.510 -0.136 0.000 1.199 338 N CA -1.114 51.851 53.050 -0.141 0.000 0.928 338 N CB 1.465 39.875 38.487 -0.128 0.000 1.059 338 N HN -0.028 nan 8.380 nan 0.000 0.467 339 P HA -0.161 nan 4.420 nan 0.000 0.216 339 P C 1.034 178.289 177.300 -0.075 0.000 1.153 339 P CA 1.198 64.231 63.100 -0.111 0.000 0.858 339 P CB 0.287 31.929 31.700 -0.095 0.000 0.789 340 E N -0.489 119.666 120.200 -0.075 0.000 2.058 340 E HA -0.190 4.156 4.350 -0.007 0.000 0.194 340 E C 1.738 178.294 176.600 -0.073 0.000 0.997 340 E CA 1.304 57.666 56.400 -0.063 0.000 0.801 340 E CB -0.293 29.367 29.700 -0.067 0.000 0.746 340 E HN -0.002 nan 8.360 nan 0.000 0.450 341 I N 0.869 121.388 120.570 -0.085 0.000 2.202 341 I HA -0.189 3.977 4.170 -0.007 0.000 0.242 341 I C 2.586 178.608 176.117 -0.158 0.000 1.091 341 I CA 0.680 61.898 61.300 -0.136 0.000 1.368 341 I CB -1.471 36.472 38.000 -0.095 0.000 1.058 341 I HN 0.077 nan 8.210 nan 0.000 0.410 342 V N 1.252 121.124 119.914 -0.071 0.000 2.255 342 V HA -0.295 3.821 4.120 -0.007 0.000 0.247 342 V C 2.815 178.913 176.094 0.005 0.000 1.051 342 V CA 2.297 64.597 62.300 -0.001 0.000 1.018 342 V CB -0.855 30.979 31.823 0.019 0.000 0.641 342 V HN 0.374 nan 8.190 nan 0.000 0.445 343 R N -0.202 120.296 120.500 -0.004 0.000 2.092 343 R HA -0.137 4.199 4.340 -0.007 0.000 0.231 343 R C 2.530 178.843 176.300 0.021 0.000 1.119 343 R CA 1.489 57.601 56.100 0.019 0.000 0.970 343 R CB -0.253 30.050 30.300 0.005 0.000 0.864 343 R HN 0.454 nan 8.270 nan 0.000 0.440 344 R N 0.450 120.943 120.500 -0.012 0.000 2.066 344 R HA -0.073 4.264 4.340 -0.007 0.000 0.232 344 R C 1.996 178.297 176.300 0.001 0.000 1.131 344 R CA 1.503 57.602 56.100 -0.001 0.000 0.955 344 R CB -0.241 30.044 30.300 -0.026 0.000 0.851 344 R HN 0.277 nan 8.270 nan 0.000 0.432 345 L N -0.151 121.035 121.223 -0.061 0.000 2.376 345 L HA 0.123 4.459 4.340 -0.007 0.000 0.219 345 L C 1.114 177.970 176.870 -0.023 0.000 1.133 345 L CA 0.676 55.468 54.840 -0.078 0.000 0.816 345 L CB -0.288 41.645 42.059 -0.210 0.000 0.933 345 L HN 0.626 nan 8.230 nan 0.000 0.449 346 G N 0.925 109.759 108.800 0.057 0.000 2.256 346 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.272 346 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.272 346 G C 0.110 175.041 174.900 0.051 0.000 1.076 346 G CA 0.001 45.210 45.100 0.182 0.000 0.882 346 G HN 0.095 nan 8.290 nan 0.000 0.497 347 V N 0.882 120.829 119.914 0.055 0.000 2.540 347 V HA 0.169 4.285 4.120 -0.007 0.000 0.297 347 V C 1.369 177.500 176.094 0.062 0.000 1.024 347 V CA 0.308 62.639 62.300 0.053 0.000 1.105 347 V CB 0.850 32.781 31.823 0.181 0.000 0.938 347 V HN 0.381 nan 8.190 nan 0.000 0.482 348 I N 5.395 125.934 120.570 -0.052 0.000 2.325 348 I HA 0.262 4.429 4.170 -0.007 0.000 0.291 348 I C 0.700 176.790 176.117 -0.045 0.000 1.019 348 I CA 0.035 61.308 61.300 -0.045 0.000 1.302 348 I CB 1.321 39.218 38.000 -0.172 0.000 1.401 348 I HN 0.766 nan 8.210 nan 0.000 0.485 349 T N 4.948 119.494 114.554 -0.014 0.000 2.829 349 T HA 0.753 5.099 4.350 -0.007 0.000 0.282 349 T C -0.483 174.119 174.700 -0.163 0.000 0.990 349 T CA -0.659 61.386 62.100 -0.091 0.000 1.028 349 T CB 1.432 70.290 68.868 -0.016 0.000 0.951 349 T HN 0.342 nan 8.240 nan 0.000 0.460 350 I N 3.210 123.651 120.570 -0.214 0.000 2.468 350 I HA 0.436 4.603 4.170 -0.007 0.000 0.284 350 I C -0.386 175.570 176.117 -0.268 0.000 1.038 350 I CA -0.821 60.346 61.300 -0.222 0.000 1.083 350 I CB 1.478 39.407 38.000 -0.118 0.000 1.223 350 I HN 0.634 nan 8.210 nan 0.000 0.443 351 N N 2.804 121.258 118.700 -0.409 0.000 2.509 351 N HA 0.517 5.254 4.740 -0.007 0.000 0.280 351 N C -0.613 174.856 175.510 -0.068 0.000 1.306 351 N CA -0.523 52.359 53.050 -0.281 0.000 0.782 351 N CB 2.643 40.906 38.487 -0.374 0.000 1.493 351 N HN 0.597 nan 8.380 nan 0.000 0.498 352 T N -1.966 112.648 114.554 0.100 0.000 2.902 352 T HA 0.775 5.121 4.350 -0.007 0.000 0.280 352 T C -0.307 174.568 174.700 0.291 0.000 0.992 352 T CA -0.678 61.524 62.100 0.171 0.000 1.015 352 T CB 1.386 70.313 68.868 0.098 0.000 1.044 352 T HN 0.515 nan 8.240 nan 0.000 0.520 353 A N 1.924 124.845 122.820 0.169 0.000 2.374 353 A HA 0.637 4.953 4.320 -0.007 0.000 0.305 353 A C 1.024 178.608 177.584 -0.001 0.000 1.053 353 A CA -0.961 51.117 52.037 0.068 0.000 0.726 353 A CB 0.937 19.910 19.000 -0.045 0.000 1.229 353 A HN 0.910 nan 8.150 nan 0.000 0.431 354 L N 0.627 121.858 121.223 0.013 0.000 2.056 354 L HA 0.013 4.349 4.340 -0.007 0.000 0.207 354 L C 1.177 178.007 176.870 -0.066 0.000 1.078 354 L CA 1.798 56.635 54.840 -0.005 0.000 0.749 354 L CB -0.112 41.965 42.059 0.030 0.000 0.901 354 L HN 0.941 nan 8.230 nan 0.000 0.433 355 E N -1.347 118.796 120.200 -0.096 0.000 2.423 355 E HA 0.681 5.027 4.350 -0.007 0.000 0.280 355 E C -1.535 174.934 176.600 -0.219 0.000 1.030 355 E CA -0.888 55.405 56.400 -0.178 0.000 0.812 355 E CB 2.174 31.835 29.700 -0.065 0.000 1.313 355 E HN -0.070 nan 8.360 nan 0.000 0.456 356 A N 1.264 123.901 122.820 -0.306 0.000 2.572 356 A HA 0.649 4.966 4.320 -0.007 0.000 0.295 356 A C -1.701 175.834 177.584 -0.081 0.000 1.072 356 A CA -0.509 51.402 52.037 -0.210 0.000 0.691 356 A CB 1.634 20.498 19.000 -0.225 0.000 1.291 356 A HN 0.791 nan 8.150 nan 0.000 0.404 357 D N -0.477 119.903 120.400 -0.033 0.000 2.392 357 D HA 0.425 5.061 4.640 -0.007 0.000 0.246 357 D C 1.060 177.324 176.300 -0.060 0.000 1.013 357 D CA -0.397 53.584 54.000 -0.032 0.000 0.993 357 D CB 0.405 41.189 40.800 -0.026 0.000 1.219 357 D HN 0.609 nan 8.370 nan 0.000 0.538 358 I N -3.122 117.290 120.570 -0.264 0.000 3.010 358 I HA -0.023 4.143 4.170 -0.007 0.000 0.271 358 I C 0.315 176.039 176.117 -0.654 0.000 1.293 358 I CA 0.803 61.813 61.300 -0.484 0.000 1.452 358 I CB -0.709 36.885 38.000 -0.677 0.000 1.082 358 I HN 0.122 nan 8.210 nan 0.000 0.484 359 F N 1.721 121.660 119.950 -0.018 0.000 2.653 359 F HA 0.468 4.991 4.527 -0.006 0.000 0.304 359 F C 1.778 177.566 175.800 -0.019 0.000 1.092 359 F CA 0.317 58.306 58.000 -0.019 0.000 1.279 359 F CB 0.712 39.701 39.000 -0.018 0.000 1.044 359 F HN 0.242 nan 8.300 nan 0.000 0.564 360 G N 0.465 109.307 108.800 0.069 0.000 2.141 360 G HA2 -0.255 3.701 3.960 -0.007 0.000 0.242 360 G HA3 -0.255 3.701 3.960 -0.007 0.000 0.242 360 G C -0.144 174.767 174.900 0.019 0.000 0.982 360 G CA -0.514 44.617 45.100 0.051 0.000 0.662 360 G HN 0.306 nan 8.290 nan 0.000 0.527 361 N N -0.035 118.673 118.700 0.015 0.000 2.479 361 N HA 0.596 5.332 4.740 -0.007 0.000 0.285 361 N C -0.502 174.920 175.510 -0.147 0.000 1.075 361 N CA 0.031 53.056 53.050 -0.041 0.000 0.967 361 N CB 1.534 39.999 38.487 -0.037 0.000 1.137 361 N HN 0.126 nan 8.380 nan 0.000 0.472 362 I N 1.771 122.234 120.570 -0.178 0.000 2.530 362 I HA 0.191 4.357 4.170 -0.007 0.000 0.297 362 I C 0.068 176.128 176.117 -0.094 0.000 1.011 362 I CA -0.667 60.491 61.300 -0.237 0.000 1.107 362 I CB 1.447 39.073 38.000 -0.623 0.000 1.285 362 I HN 0.388 nan 8.210 nan 0.000 0.436 363 N N 3.033 121.692 118.700 -0.068 0.000 2.417 363 N HA 0.374 5.110 4.740 -0.007 0.000 0.274 363 N C -0.458 175.118 175.510 0.108 0.000 0.987 363 N CA -0.395 52.685 53.050 0.049 0.000 0.912 363 N CB 1.236 39.750 38.487 0.045 0.000 1.177 363 N HN 0.510 nan 8.380 nan 0.000 0.490 364 S N 0.714 116.542 115.700 0.213 0.000 2.855 364 S HA 0.154 4.620 4.470 -0.007 0.000 0.249 364 S C 0.686 175.420 174.600 0.223 0.000 1.033 364 S CA 0.119 58.458 58.200 0.231 0.000 1.038 364 S CB -0.251 63.163 63.200 0.357 0.000 0.960 364 S HN 0.671 nan 8.310 nan 0.000 0.548 365 T N -2.413 112.276 114.554 0.224 0.000 3.336 365 T HA 0.277 4.623 4.350 -0.007 0.000 0.273 365 T C -0.310 174.393 174.700 0.005 0.000 0.932 365 T CA 0.075 62.268 62.100 0.155 0.000 0.995 365 T CB -0.136 68.887 68.868 0.259 0.000 1.213 365 T HN 0.342 nan 8.240 nan 0.000 0.502 366 H N 1.375 120.369 119.070 -0.128 0.000 2.519 366 H HA 0.701 5.252 4.556 -0.007 0.000 0.316 366 H C -0.553 174.723 175.328 -0.086 0.000 1.065 366 H CA -0.716 55.221 56.048 -0.185 0.000 1.264 366 H CB 1.397 30.922 29.762 -0.395 0.000 1.413 366 H HN 0.112 nan 8.280 nan 0.000 0.465 367 V N 3.149 123.057 119.914 -0.011 0.000 2.508 367 V HA 0.027 4.143 4.120 -0.007 0.000 0.281 367 V C 0.766 176.862 176.094 0.003 0.000 1.041 367 V CA 0.143 62.444 62.300 0.001 0.000 1.016 367 V CB 0.963 32.770 31.823 -0.025 0.000 0.984 367 V HN 1.120 nan 8.190 nan 0.000 0.478 368 S N 3.881 119.590 115.700 0.015 0.000 3.445 368 S HA -0.250 4.216 4.470 -0.007 0.000 0.319 368 S C 1.490 175.999 174.600 -0.152 0.000 1.209 368 S CA 1.450 59.622 58.200 -0.047 0.000 0.934 368 S CB -1.422 61.774 63.200 -0.008 0.000 0.999 368 S HN 2.147 nan 8.310 nan 0.000 0.582 369 G N -0.714 108.035 108.800 -0.085 0.000 2.189 369 G HA2 -0.404 3.552 3.960 -0.007 0.000 0.267 369 G HA3 -0.404 3.552 3.960 -0.007 0.000 0.267 369 G C 0.697 175.599 174.900 0.003 0.000 0.975 369 G CA 1.653 46.713 45.100 -0.067 0.000 0.644 369 G HN 1.523 nan 8.290 nan 0.000 0.537 370 T N -3.739 110.842 114.554 0.046 0.000 3.075 370 T HA 0.415 4.761 4.350 -0.007 0.000 0.251 370 T C 1.298 176.033 174.700 0.059 0.000 0.979 370 T CA 0.500 62.652 62.100 0.086 0.000 1.033 370 T CB 0.593 69.465 68.868 0.007 0.000 1.104 370 T HN 0.440 nan 8.240 nan 0.000 0.473 375 G N 0.465 109.178 108.800 -0.145 0.000 2.340 375 G HA2 0.231 4.187 3.960 -0.007 0.000 0.300 375 G HA3 0.231 4.187 3.960 -0.007 0.000 0.300 375 G C -0.271 174.854 174.900 0.376 0.000 1.488 375 G CA -0.664 44.526 45.100 0.151 0.000 0.878 375 G HN 0.221 nan 8.290 nan 0.000 0.618 376 I N 0.689 121.450 120.570 0.318 0.000 2.423 376 I HA 0.120 4.286 4.170 -0.007 0.000 0.254 376 I C 1.923 178.277 176.117 0.394 0.000 1.151 376 I CA 2.642 64.135 61.300 0.320 0.000 1.421 376 I CB -0.263 37.845 38.000 0.180 0.000 1.079 376 I HN 1.764 nan 8.210 nan 0.000 0.431 377 G N 0.046 109.103 108.800 0.428 0.000 2.574 377 G HA2 -0.363 3.593 3.960 -0.007 0.000 0.286 377 G HA3 -0.363 3.593 3.960 -0.007 0.000 0.286 377 G C 0.676 175.742 174.900 0.277 0.000 1.212 377 G CA 0.027 45.276 45.100 0.249 0.000 0.979 377 G HN 0.605 nan 8.290 nan 0.000 0.557 378 G N -0.333 108.638 108.800 0.286 0.000 3.393 378 G HA2 0.456 4.412 3.960 -0.007 0.000 0.255 378 G HA3 0.456 4.412 3.960 -0.007 0.000 0.255 378 G C 1.716 176.924 174.900 0.513 0.000 1.097 378 G CA 1.358 46.691 45.100 0.388 0.000 0.780 378 G HN 1.787 nan 8.290 nan 0.000 0.540 379 S N -0.067 115.911 115.700 0.463 0.000 2.419 379 S HA -0.010 4.457 4.470 -0.007 0.000 0.233 379 S C 2.310 177.253 174.600 0.572 0.000 1.016 379 S CA 1.422 59.906 58.200 0.474 0.000 0.974 379 S CB -0.306 63.192 63.200 0.498 0.000 0.786 379 S HN 0.293 nan 8.310 nan 0.000 0.492 380 G N 1.747 110.912 108.800 0.608 0.000 2.395 380 G HA2 -0.087 3.869 3.960 -0.007 0.000 0.214 380 G HA3 -0.087 3.869 3.960 -0.007 0.000 0.214 380 G C 1.178 176.181 174.900 0.172 0.000 1.177 380 G CA 0.734 46.119 45.100 0.475 0.000 0.794 380 G HN 0.469 nan 8.290 nan 0.000 0.532 381 D N 0.539 120.987 120.400 0.079 0.000 2.133 381 D HA -0.111 4.525 4.640 -0.007 0.000 0.195 381 D C 2.124 178.314 176.300 -0.184 0.000 0.997 381 D CA 0.926 54.836 54.000 -0.150 0.000 0.840 381 D CB -0.197 40.439 40.800 -0.272 0.000 0.947 381 D HN 0.323 nan 8.370 nan 0.000 0.452 382 F N 1.249 121.256 119.950 0.094 0.000 2.059 382 F HA -0.086 4.438 4.527 -0.006 0.000 0.289 382 F C 2.812 178.648 175.800 0.059 0.000 1.128 382 F CA 0.904 58.945 58.000 0.068 0.000 1.181 382 F CB -1.155 37.873 39.000 0.046 0.000 1.012 382 F HN -0.162 nan 8.300 nan 0.000 0.473 383 T N 0.288 115.003 114.554 0.269 0.000 2.624 383 T HA -0.355 3.991 4.350 -0.007 0.000 0.266 383 T C 2.017 176.832 174.700 0.193 0.000 1.050 383 T CA 2.271 64.480 62.100 0.181 0.000 1.163 383 T CB -0.451 68.569 68.868 0.253 0.000 0.861 383 T HN -0.002 nan 8.240 nan 0.000 0.443 384 R N 1.793 122.410 120.500 0.195 0.000 2.091 384 R HA -0.045 4.291 4.340 -0.007 0.000 0.238 384 R C 1.444 177.798 176.300 0.089 0.000 1.136 384 R CA 2.016 58.198 56.100 0.138 0.000 0.959 384 R CB -0.600 29.751 30.300 0.084 0.000 0.856 384 R HN 0.538 nan 8.270 nan 0.000 0.437 385 N N -0.524 118.218 118.700 0.070 0.000 2.205 385 N HA 0.058 4.795 4.740 -0.007 0.000 0.201 385 N C -0.599 174.959 175.510 0.080 0.000 1.128 385 N CA 0.309 53.389 53.050 0.050 0.000 0.867 385 N CB 0.671 39.161 38.487 0.005 0.000 0.996 385 N HN 0.228 nan 8.380 nan 0.000 0.503 386 S N -0.626 115.146 115.700 0.121 0.000 2.584 386 S HA -0.019 4.447 4.470 -0.007 0.000 0.270 386 S C 0.969 175.657 174.600 0.146 0.000 1.346 386 S CA -0.586 57.704 58.200 0.149 0.000 1.018 386 S CB 0.637 63.928 63.200 0.151 0.000 0.899 386 S HN 0.258 nan 8.310 nan 0.000 0.542 387 Y N 2.331 122.651 120.300 0.034 0.000 2.128 387 Y HA 0.048 4.594 4.550 -0.007 0.000 0.284 387 Y C 0.505 176.432 175.900 0.045 0.000 1.154 387 Y CA 1.660 59.775 58.100 0.025 0.000 1.149 387 Y CB 0.118 38.576 38.460 -0.004 0.000 0.976 387 Y HN 0.515 nan 8.280 nan 0.000 0.505 388 V N 0.503 120.571 119.914 0.256 0.000 2.711 388 V HA 0.250 4.366 4.120 -0.007 0.000 0.304 388 V C -0.798 175.385 176.094 0.148 0.000 1.097 388 V CA -0.721 61.698 62.300 0.198 0.000 0.906 388 V CB 1.507 33.491 31.823 0.268 0.000 1.015 388 V HN 0.167 nan 8.190 nan 0.000 0.427 389 S N 5.300 121.072 115.700 0.121 0.000 2.480 389 S HA 0.862 5.328 4.470 -0.007 0.000 0.286 389 S C -0.683 173.933 174.600 0.028 0.000 1.180 389 S CA -0.552 57.677 58.200 0.048 0.000 1.075 389 S CB 1.168 64.418 63.200 0.083 0.000 0.996 389 S HN 0.555 nan 8.310 nan 0.000 0.487 390 I N 2.365 122.865 120.570 -0.117 0.000 2.569 390 I HA 0.522 4.689 4.170 -0.007 0.000 0.296 390 I C -1.249 174.680 176.117 -0.313 0.000 1.028 390 I CA -0.774 60.472 61.300 -0.089 0.000 1.082 390 I CB 1.790 39.778 38.000 -0.020 0.000 1.264 390 I HN 0.567 nan 8.210 nan 0.000 0.429 391 F N 2.667 122.614 119.950 -0.006 0.000 2.529 391 F HA 0.502 5.025 4.527 -0.007 0.000 0.320 391 F C 0.392 176.193 175.800 0.002 0.000 1.118 391 F CA -0.502 57.489 58.000 -0.014 0.000 0.915 391 F CB 2.353 41.340 39.000 -0.022 0.000 1.161 391 F HN 0.384 nan 8.300 nan 0.000 0.445 392 T N -0.818 113.831 114.554 0.157 0.000 2.940 392 T HA 0.832 5.178 4.350 -0.007 0.000 0.288 392 T C -0.513 174.242 174.700 0.092 0.000 1.033 392 T CA -0.815 61.346 62.100 0.101 0.000 1.033 392 T CB 2.000 70.895 68.868 0.045 0.000 1.079 392 T HN 0.738 nan 8.240 nan 0.000 0.496 393 T N 2.014 116.608 114.554 0.067 0.000 3.588 393 T HA 0.369 4.715 4.350 -0.007 0.000 0.428 393 T C -3.265 171.459 174.700 0.041 0.000 1.584 393 T CA -0.926 61.186 62.100 0.019 0.000 1.128 393 T CB 1.347 70.168 68.868 -0.077 0.000 1.488 393 T HN 0.619 nan 8.240 nan 0.000 0.460 394 P HA 0.154 nan 4.420 nan 0.000 0.269 394 P C 1.075 178.444 177.300 0.115 0.000 1.209 394 P CA -0.015 63.111 63.100 0.044 0.000 0.776 394 P CB 0.813 32.523 31.700 0.017 0.000 0.876 395 S N 1.800 117.646 115.700 0.242 0.000 2.383 395 S HA -0.031 4.435 4.470 -0.007 0.000 0.227 395 S C 1.083 175.872 174.600 0.314 0.000 1.026 395 S CA 1.298 59.780 58.200 0.470 0.000 0.981 395 S CB -0.981 62.655 63.200 0.727 0.000 0.818 395 S HN 0.516 nan 8.310 nan 0.000 0.472 399 D N 0.847 121.260 120.400 0.021 0.000 2.792 399 D HA -0.229 4.407 4.640 -0.007 0.000 0.231 399 D C 0.899 177.211 176.300 0.020 0.000 1.160 399 D CA 2.163 56.178 54.000 0.025 0.000 0.697 399 D CB -0.783 40.029 40.800 0.019 0.000 1.070 399 D HN 0.864 nan 8.370 nan 0.000 0.426 400 G N -0.354 108.460 108.800 0.022 0.000 2.217 400 G HA2 -0.410 3.546 3.960 -0.007 0.000 0.246 400 G HA3 -0.410 3.546 3.960 -0.007 0.000 0.246 400 G C 1.051 175.993 174.900 0.070 0.000 0.990 400 G CA 0.688 45.794 45.100 0.010 0.000 0.627 400 G HN 0.479 nan 8.290 nan 0.000 0.522 401 K N -0.297 120.128 120.400 0.042 0.000 2.439 401 K HA 0.281 4.597 4.320 -0.007 0.000 0.197 401 K C 0.843 177.474 176.600 0.051 0.000 1.041 401 K CA 0.650 56.963 56.287 0.044 0.000 0.970 401 K CB 0.275 32.779 32.500 0.007 0.000 0.773 401 K HN 0.488 nan 8.250 nan 0.000 0.479 402 I N 0.415 120.995 120.570 0.017 0.000 2.436 402 I HA 0.071 4.237 4.170 -0.007 0.000 0.289 402 I C -0.465 175.543 176.117 -0.181 0.000 1.010 402 I CA -0.718 60.539 61.300 -0.073 0.000 1.098 402 I CB 2.071 40.040 38.000 -0.051 0.000 1.266 402 I HN -0.144 nan 8.210 nan 0.000 0.434 403 S N 3.124 118.567 115.700 -0.428 0.000 2.480 403 S HA 0.259 4.725 4.470 -0.007 0.000 0.286 403 S C 0.908 175.366 174.600 -0.237 0.000 1.180 403 S CA -0.468 57.392 58.200 -0.567 0.000 1.075 403 S CB 1.386 63.860 63.200 -1.210 0.000 0.996 403 S HN 0.627 nan 8.310 nan 0.000 0.487 404 S N 3.582 119.189 115.700 -0.155 0.000 2.515 404 S HA 0.179 4.646 4.470 -0.007 0.000 0.231 404 S C -0.277 174.028 174.600 -0.492 0.000 0.987 404 S CA 0.552 58.575 58.200 -0.295 0.000 0.936 404 S CB -0.257 62.726 63.200 -0.362 0.000 0.766 404 S HN 0.681 nan 8.310 nan 0.000 0.528 405 F N 1.373 121.270 119.950 -0.089 0.000 2.444 405 F HA 0.566 5.089 4.527 -0.006 0.000 0.342 405 F C 0.086 175.782 175.800 -0.174 0.000 1.121 405 F CA -1.057 56.882 58.000 -0.102 0.000 0.997 405 F CB 1.449 40.413 39.000 -0.062 0.000 1.130 405 F HN -0.167 nan 8.300 nan 0.000 0.454 406 V N 1.131 120.990 119.914 -0.092 0.000 3.102 406 V HA 0.741 4.858 4.120 -0.007 0.000 0.312 406 V C -2.888 172.957 176.094 -0.415 0.000 1.135 406 V CA -3.049 59.038 62.300 -0.356 0.000 1.022 406 V CB 1.911 33.616 31.823 -0.197 0.000 1.056 406 V HN 0.387 nan 8.190 nan 0.000 0.436 410 A N 1.916 124.726 122.820 -0.018 0.000 2.178 410 A HA 0.167 4.483 4.320 -0.007 0.000 0.218 410 A C 0.729 178.297 177.584 -0.025 0.000 1.157 410 A CA 2.079 53.940 52.037 -0.294 0.000 0.689 410 A CB -0.628 17.955 19.000 -0.696 0.000 0.787 410 A HN 1.944 nan 8.150 nan 0.000 0.465 411 H N -0.960 118.077 119.070 -0.055 0.000 3.128 411 H HA 0.338 4.890 4.556 -0.007 0.000 0.336 411 H C -1.171 174.152 175.328 -0.008 0.000 1.026 411 H CA -0.667 55.363 56.048 -0.030 0.000 1.376 411 H CB 0.438 30.128 29.762 -0.120 0.000 1.882 411 H HN 0.354 nan 8.280 nan 0.000 0.479 412 H N 4.750 123.547 119.070 -0.456 0.000 2.652 412 H HA 0.130 4.683 4.556 -0.006 0.000 0.298 412 H C -0.152 174.959 175.328 -0.361 0.000 1.076 412 H CA -0.221 55.657 56.048 -0.284 0.000 1.360 412 H CB 1.346 31.004 29.762 -0.174 0.000 1.421 412 H HN 0.737 nan 8.280 nan 0.000 0.464 413 D N 1.690 122.006 120.400 -0.140 0.000 2.470 413 D HA 0.023 4.659 4.640 -0.007 0.000 0.238 413 D C -0.104 175.871 176.300 -0.541 0.000 1.054 413 D CA 0.737 54.577 54.000 -0.266 0.000 0.896 413 D CB 0.874 41.577 40.800 -0.161 0.000 1.118 413 D HN 0.610 nan 8.370 nan 0.000 0.497 414 H N -0.659 118.431 119.070 0.034 0.000 2.679 414 H HA 0.404 4.956 4.556 -0.006 0.000 0.360 414 H C -0.228 175.124 175.328 0.040 0.000 1.105 414 H CA -0.760 55.322 56.048 0.057 0.000 1.196 414 H CB 1.809 31.571 29.762 0.001 0.000 1.636 414 H HN -0.195 nan 8.280 nan 0.000 0.531 415 S N 1.062 116.873 115.700 0.185 0.000 2.687 415 S HA 0.095 4.561 4.470 -0.007 0.000 0.283 415 S C 1.253 175.896 174.600 0.072 0.000 1.170 415 S CA -0.506 57.779 58.200 0.141 0.000 1.008 415 S CB 1.264 64.571 63.200 0.179 0.000 1.026 415 S HN 0.916 nan 8.310 nan 0.000 0.541 416 E N 0.153 120.322 120.200 -0.052 0.000 2.273 416 E HA -0.265 4.081 4.350 -0.007 0.000 0.198 416 E C 0.969 177.471 176.600 -0.162 0.000 1.002 416 E CA 1.642 57.964 56.400 -0.131 0.000 0.828 416 E CB -0.659 28.903 29.700 -0.229 0.000 0.747 416 E HN 0.794 nan 8.360 nan 0.000 0.491 417 H N -0.211 118.918 119.070 0.098 0.000 2.548 417 H HA 0.215 4.767 4.556 -0.007 0.000 0.268 417 H C 1.203 176.592 175.328 0.102 0.000 0.975 417 H CA 0.976 57.075 56.048 0.085 0.000 1.195 417 H CB 0.667 30.469 29.762 0.066 0.000 1.397 417 H HN 0.193 nan 8.280 nan 0.000 0.572 418 S N 0.012 115.839 115.700 0.211 0.000 2.539 418 S HA 0.099 4.565 4.470 -0.007 0.000 0.226 418 S C 0.825 175.564 174.600 0.232 0.000 1.054 418 S CA -0.221 58.111 58.200 0.220 0.000 0.910 418 S CB 0.992 64.349 63.200 0.262 0.000 0.818 418 S HN -0.056 nan 8.310 nan 0.000 0.490 419 V N 4.127 124.169 119.914 0.214 0.000 2.427 419 V HA 0.256 4.372 4.120 -0.007 0.000 0.268 419 V C 0.763 176.968 176.094 0.185 0.000 1.046 419 V CA -0.049 62.400 62.300 0.248 0.000 0.970 419 V CB 0.974 32.891 31.823 0.156 0.000 1.001 419 V HN 0.198 nan 8.190 nan 0.000 0.476 420 K N 3.476 123.990 120.400 0.191 0.000 2.244 420 K HA 0.291 4.607 4.320 -0.007 0.000 0.200 420 K C 0.094 176.767 176.600 0.121 0.000 1.052 420 K CA 0.683 57.057 56.287 0.145 0.000 0.980 420 K CB 0.715 33.303 32.500 0.146 0.000 0.838 420 K HN 0.484 nan 8.250 nan 0.000 0.481 421 V N 1.815 121.801 119.914 0.120 0.000 2.888 421 V HA 0.455 4.571 4.120 -0.007 0.000 0.309 421 V C -0.717 175.416 176.094 0.067 0.000 1.114 421 V CA -0.873 61.441 62.300 0.023 0.000 0.940 421 V CB 2.706 34.468 31.823 -0.102 0.000 1.021 421 V HN -0.025 nan 8.190 nan 0.000 0.426 422 I N 4.476 125.064 120.570 0.030 0.000 2.545 422 I HA 0.613 4.779 4.170 -0.007 0.000 0.292 422 I C -1.101 175.046 176.117 0.051 0.000 1.040 422 I CA -0.545 60.824 61.300 0.115 0.000 1.068 422 I CB 2.242 40.358 38.000 0.192 0.000 1.251 422 I HN 0.423 nan 8.210 nan 0.000 0.424 423 I N 4.662 125.287 120.570 0.093 0.000 2.534 423 I HA 0.350 4.516 4.170 -0.007 0.000 0.288 423 I C -0.123 176.071 176.117 0.128 0.000 1.077 423 I CA -0.168 61.168 61.300 0.060 0.000 1.051 423 I CB 2.233 40.224 38.000 -0.014 0.000 1.234 423 I HN 0.680 nan 8.210 nan 0.000 0.425 424 S N 3.765 119.553 115.700 0.147 0.000 2.823 424 S HA 0.374 4.840 4.470 -0.007 0.000 0.316 424 S C 0.832 175.450 174.600 0.031 0.000 1.116 424 S CA -0.587 57.703 58.200 0.150 0.000 0.911 424 S CB 1.405 64.799 63.200 0.322 0.000 1.276 424 S HN 0.685 nan 8.310 nan 0.000 0.565 425 E N 0.161 120.297 120.200 -0.106 0.000 2.268 425 E HA -0.144 4.202 4.350 -0.007 0.000 0.195 425 E C 1.101 177.540 176.600 -0.268 0.000 0.995 425 E CA 0.836 57.075 56.400 -0.268 0.000 0.836 425 E CB -0.475 28.938 29.700 -0.479 0.000 0.763 425 E HN 0.842 nan 8.360 nan 0.000 0.491 426 W N 1.725 123.039 121.300 0.023 0.000 2.584 426 W HA 0.232 4.888 4.660 -0.007 0.000 0.264 426 W C 1.177 177.685 176.519 -0.018 0.000 1.264 426 W CA 0.416 57.753 57.345 -0.012 0.000 1.306 426 W CB 0.473 29.912 29.460 -0.035 0.000 1.110 426 W HN 0.314 nan 8.180 nan 0.000 0.606 427 G N -0.674 108.238 108.800 0.186 0.000 2.356 427 G HA2 0.272 4.228 3.960 -0.007 0.000 0.288 427 G HA3 0.272 4.228 3.960 -0.007 0.000 0.288 427 G C -1.651 173.275 174.900 0.043 0.000 1.302 427 G CA -0.546 44.614 45.100 0.101 0.000 0.887 427 G HN 0.273 nan 8.290 nan 0.000 0.521 428 V N -2.432 117.477 119.914 -0.008 0.000 2.628 428 V HA 0.951 5.067 4.120 -0.007 0.000 0.306 428 V C 0.180 176.217 176.094 -0.095 0.000 1.045 428 V CA -0.140 62.101 62.300 -0.099 0.000 0.905 428 V CB 1.458 33.130 31.823 -0.252 0.000 0.997 428 V HN 2.453 nan 8.190 nan 0.000 0.436 429 A N 3.129 125.886 122.820 -0.105 0.000 2.328 429 A HA 0.542 4.858 4.320 -0.007 0.000 0.318 429 A C -0.344 177.197 177.584 -0.072 0.000 1.347 429 A CA -0.398 51.599 52.037 -0.067 0.000 0.842 429 A CB 0.350 19.322 19.000 -0.047 0.000 1.148 429 A HN 0.925 nan 8.150 nan 0.000 0.499 430 D N 2.852 123.222 120.400 -0.050 0.000 2.338 430 D HA 0.218 4.854 4.640 -0.007 0.000 0.255 430 D C 0.457 176.781 176.300 0.041 0.000 1.237 430 D CA -0.238 53.764 54.000 0.003 0.000 0.883 430 D CB 0.906 41.761 40.800 0.091 0.000 1.087 430 D HN 0.281 nan 8.370 nan 0.000 0.485 431 L N 3.541 124.795 121.223 0.052 0.000 2.509 431 L HA 0.135 4.471 4.340 -0.007 0.000 0.222 431 L C 1.223 178.136 176.870 0.072 0.000 1.123 431 L CA 0.415 55.292 54.840 0.060 0.000 0.856 431 L CB -0.511 41.588 42.059 0.065 0.000 0.985 431 L HN 0.227 nan 8.230 nan 0.000 0.456 432 R N -0.001 120.550 120.500 0.085 0.000 2.522 432 R HA 0.303 4.639 4.340 -0.007 0.000 0.284 432 R C 1.261 177.604 176.300 0.071 0.000 1.032 432 R CA 0.802 56.951 56.100 0.083 0.000 1.049 432 R CB -0.153 30.203 30.300 0.093 0.000 0.956 432 R HN 0.320 nan 8.270 nan 0.000 0.422 433 G N 1.974 110.813 108.800 0.064 0.000 2.153 433 G HA2 -0.332 3.625 3.960 -0.007 0.000 0.252 433 G HA3 -0.332 3.625 3.960 -0.007 0.000 0.252 433 G C -0.185 174.748 174.900 0.056 0.000 0.994 433 G CA 0.273 45.406 45.100 0.056 0.000 0.698 433 G HN 0.505 nan 8.290 nan 0.000 0.521 434 K N 0.279 120.715 120.400 0.061 0.000 2.259 434 K HA 0.434 4.750 4.320 -0.007 0.000 0.249 434 K C 0.614 177.255 176.600 0.068 0.000 0.942 434 K CA -0.429 55.896 56.287 0.062 0.000 0.816 434 K CB 1.366 33.904 32.500 0.064 0.000 1.155 434 K HN 0.489 nan 8.250 nan 0.000 0.428 435 N N 0.858 119.600 118.700 0.071 0.000 2.418 435 N HA 0.209 4.945 4.740 -0.007 0.000 0.283 435 N C -2.114 173.462 175.510 0.110 0.000 1.267 435 N CA -1.461 51.634 53.050 0.074 0.000 0.975 435 N CB 0.697 39.221 38.487 0.062 0.000 1.167 435 N HN 0.011 nan 8.380 nan 0.000 0.581 436 P HA -0.144 nan 4.420 nan 0.000 0.214 436 P C 1.096 178.606 177.300 0.349 0.000 1.163 436 P CA 1.602 64.877 63.100 0.291 0.000 0.889 436 P CB 0.077 31.847 31.700 0.116 0.000 0.790 437 R N -0.279 120.365 120.500 0.241 0.000 2.096 437 R HA -0.131 4.205 4.340 -0.007 0.000 0.235 437 R C 2.237 178.647 176.300 0.184 0.000 1.127 437 R CA 1.413 57.634 56.100 0.201 0.000 0.968 437 R CB -0.519 29.887 30.300 0.176 0.000 0.861 437 R HN 0.366 nan 8.270 nan 0.000 0.440 438 E N 0.204 120.497 120.200 0.155 0.000 2.107 438 E HA -0.183 4.163 4.350 -0.007 0.000 0.191 438 E C 1.983 178.641 176.600 0.097 0.000 0.982 438 E CA 1.074 57.554 56.400 0.134 0.000 0.809 438 E CB -0.011 29.742 29.700 0.090 0.000 0.756 438 E HN 0.379 nan 8.360 nan 0.000 0.459 439 R N 0.678 121.223 120.500 0.074 0.000 2.200 439 R HA 0.168 4.504 4.340 -0.007 0.000 0.208 439 R C 2.086 178.355 176.300 -0.051 0.000 1.033 439 R CA 0.925 57.044 56.100 0.031 0.000 1.000 439 R CB -0.077 30.255 30.300 0.052 0.000 0.906 439 R HN 0.047 nan 8.270 nan 0.000 0.462 440 A N 1.218 123.967 122.820 -0.119 0.000 1.897 440 A HA -0.099 4.217 4.320 -0.007 0.000 0.215 440 A C 1.602 179.031 177.584 -0.259 0.000 1.181 440 A CA 1.325 53.167 52.037 -0.325 0.000 0.620 440 A CB -0.711 17.971 19.000 -0.529 0.000 0.821 440 A HN 0.507 nan 8.150 nan 0.000 0.443 441 H N -1.256 117.761 119.070 -0.088 0.000 2.423 441 H HA -0.059 4.493 4.556 -0.006 0.000 0.297 441 H C 2.136 177.419 175.328 -0.075 0.000 1.075 441 H CA 1.533 57.539 56.048 -0.070 0.000 1.342 441 H CB 0.162 29.901 29.762 -0.038 0.000 1.395 441 H HN 0.584 nan 8.280 nan 0.000 0.530 442 E N 0.994 121.222 120.200 0.047 0.000 2.047 442 E HA -0.113 4.233 4.350 -0.007 0.000 0.191 442 E C 1.962 178.524 176.600 -0.063 0.000 0.987 442 E CA 1.107 57.508 56.400 0.002 0.000 0.799 442 E CB -0.275 29.431 29.700 0.009 0.000 0.752 442 E HN 0.469 nan 8.360 nan 0.000 0.449 443 I N 0.289 120.794 120.570 -0.109 0.000 2.286 443 I HA -0.245 3.921 4.170 -0.007 0.000 0.248 443 I C 2.242 178.183 176.117 -0.294 0.000 1.115 443 I CA 0.937 62.118 61.300 -0.199 0.000 1.392 443 I CB -0.244 37.636 38.000 -0.199 0.000 1.065 443 I HN 0.185 nan 8.210 nan 0.000 0.418 444 I N 0.577 121.014 120.570 -0.223 0.000 2.202 444 I HA -0.280 3.886 4.170 -0.007 0.000 0.242 444 I C 1.983 178.008 176.117 -0.153 0.000 1.091 444 I CA 1.407 62.589 61.300 -0.197 0.000 1.368 444 I CB -0.441 37.478 38.000 -0.135 0.000 1.058 444 I HN 0.199 nan 8.210 nan 0.000 0.410 445 D N 0.661 121.005 120.400 -0.093 0.000 2.178 445 D HA -0.109 4.527 4.640 -0.007 0.000 0.202 445 D C 2.081 178.327 176.300 -0.090 0.000 0.974 445 D CA 1.021 54.974 54.000 -0.077 0.000 0.841 445 D CB -0.010 40.773 40.800 -0.029 0.000 0.953 445 D HN 0.243 nan 8.370 nan 0.000 0.478 446 K N -0.644 119.704 120.400 -0.087 0.000 2.287 446 K HA 0.178 4.494 4.320 -0.007 0.000 0.199 446 K C 1.929 178.521 176.600 -0.013 0.000 1.061 446 K CA 0.243 56.506 56.287 -0.040 0.000 0.976 446 K CB -0.035 32.449 32.500 -0.027 0.000 0.898 446 K HN 0.182 nan 8.250 nan 0.000 0.492 447 C N 0.789 120.004 119.300 -0.141 0.000 2.563 447 C HA 0.253 4.709 4.460 -0.007 0.000 0.346 447 C C 1.152 175.993 174.990 -0.247 0.000 1.334 447 C CA -0.518 58.403 59.018 -0.162 0.000 1.938 447 C CB 0.355 27.895 27.740 -0.333 0.000 2.445 447 C HN -0.047 nan 8.230 nan 0.000 0.541 448 V N 3.010 122.603 119.914 -0.536 0.000 2.763 448 V HA 0.017 4.133 4.120 -0.007 0.000 0.306 448 V C 0.593 176.680 176.094 -0.011 0.000 1.059 448 V CA 0.385 62.504 62.300 -0.302 0.000 1.138 448 V CB -0.089 31.583 31.823 -0.252 0.000 0.940 448 V HN 0.532 nan 8.190 nan 0.000 0.489 449 H N 6.860 126.040 119.070 0.183 0.000 2.764 449 H HA 0.131 4.683 4.556 -0.007 0.000 0.341 449 H C -1.785 173.498 175.328 -0.074 0.000 1.072 449 H CA -1.832 54.301 56.048 0.142 0.000 1.444 449 H CB 1.686 31.763 29.762 0.526 0.000 1.458 449 H HN 0.357 nan 8.280 nan 0.000 0.572 450 P HA -0.203 nan 4.420 nan 0.000 0.220 450 P C 0.917 178.240 177.300 0.039 0.000 1.155 450 P CA 1.664 64.612 63.100 -0.254 0.000 0.880 450 P CB 0.313 31.737 31.700 -0.459 0.000 0.790 451 D N -2.887 117.698 120.400 0.309 0.000 2.309 451 D HA -0.137 4.499 4.640 -0.007 0.000 0.212 451 D C 1.034 177.128 176.300 -0.343 0.000 0.968 451 D CA 1.192 55.146 54.000 -0.078 0.000 0.882 451 D CB -0.328 40.293 40.800 -0.298 0.000 0.918 451 D HN 0.387 nan 8.370 nan 0.000 0.503 452 Y N -0.824 119.553 120.300 0.127 0.000 2.527 452 Y HA 0.249 4.795 4.550 -0.006 0.000 0.247 452 Y C 1.942 177.927 175.900 0.142 0.000 1.138 452 Y CA -0.470 57.719 58.100 0.148 0.000 1.228 452 Y CB 0.474 39.073 38.460 0.232 0.000 1.252 452 Y HN -0.182 nan 8.280 nan 0.000 0.531 453 R N 0.869 121.470 120.500 0.168 0.000 2.073 453 R HA -0.089 4.247 4.340 -0.007 0.000 0.234 453 R C -0.782 175.579 176.300 0.101 0.000 1.134 453 R CA 1.534 57.683 56.100 0.082 0.000 0.952 453 R CB -1.913 28.373 30.300 -0.022 0.000 0.850 453 R HN 0.282 nan 8.270 nan 0.000 0.433 454 P HA -0.131 nan 4.420 nan 0.000 0.218 454 P C 1.511 178.930 177.300 0.198 0.000 1.149 454 P CA 0.925 64.089 63.100 0.107 0.000 0.817 454 P CB -0.006 31.732 31.700 0.063 0.000 0.785 455 L N -0.514 120.867 121.223 0.262 0.000 2.072 455 L HA -0.025 4.311 4.340 -0.007 0.000 0.205 455 L C 2.538 179.781 176.870 0.620 0.000 1.079 455 L CA 1.535 56.653 54.840 0.462 0.000 0.752 455 L CB -1.464 40.840 42.059 0.408 0.000 0.906 455 L HN -0.152 nan 8.230 nan 0.000 0.436 456 L N -1.429 120.038 121.223 0.407 0.000 2.313 456 L HA -0.093 4.243 4.340 -0.007 0.000 0.214 456 L C 2.564 179.505 176.870 0.119 0.000 1.119 456 L CA 0.524 55.499 54.840 0.225 0.000 0.809 456 L CB -0.350 41.749 42.059 0.068 0.000 0.933 456 L HN 0.205 nan 8.230 nan 0.000 0.449 457 R N -0.321 120.254 120.500 0.124 0.000 2.090 457 R HA -0.109 4.227 4.340 -0.007 0.000 0.228 457 R C 2.175 178.525 176.300 0.083 0.000 1.110 457 R CA 0.964 57.105 56.100 0.069 0.000 0.973 457 R CB -0.142 30.218 30.300 0.100 0.000 0.869 457 R HN 0.461 nan 8.270 nan 0.000 0.440 458 Q N -0.573 119.326 119.800 0.165 0.000 2.224 458 Q HA -0.184 4.152 4.340 -0.007 0.000 0.203 458 Q C 1.594 177.532 176.000 -0.104 0.000 0.970 458 Q CA 1.189 57.071 55.803 0.132 0.000 0.865 458 Q CB -0.079 28.872 28.738 0.356 0.000 0.922 458 Q HN 0.356 nan 8.270 nan 0.000 0.445 459 Y N 0.891 121.003 120.300 -0.313 0.000 2.274 459 Y HA -0.144 4.402 4.550 -0.007 0.000 0.290 459 Y C 1.527 177.201 175.900 -0.378 0.000 1.145 459 Y CA 1.083 58.771 58.100 -0.687 0.000 1.203 459 Y CB 0.049 38.134 38.460 -0.625 0.000 0.984 459 Y HN 0.026 nan 8.280 nan 0.000 0.533 460 L N 0.169 121.263 121.223 -0.214 0.000 2.552 460 L HA -0.032 4.304 4.340 -0.007 0.000 0.227 460 L C 0.700 177.473 176.870 -0.162 0.000 1.146 460 L CA 0.664 55.394 54.840 -0.184 0.000 0.858 460 L CB -0.125 41.861 42.059 -0.121 0.000 0.969 460 L HN 0.122 nan 8.230 nan 0.000 0.451 461 E N 0.136 120.233 120.200 -0.172 0.000 2.736 461 E HA 0.210 4.556 4.350 -0.007 0.000 0.208 461 E C 0.849 177.360 176.600 -0.149 0.000 0.996 461 E CA 0.041 56.375 56.400 -0.111 0.000 1.104 461 E CB 0.623 30.302 29.700 -0.035 0.000 1.111 461 E HN 0.399 nan 8.360 nan 0.000 0.455 462 L N -0.141 120.926 121.223 -0.259 0.000 2.653 462 L HA 0.219 4.555 4.340 -0.007 0.000 0.232 462 L C 1.200 177.971 176.870 -0.166 0.000 1.169 462 L CA 0.301 54.999 54.840 -0.236 0.000 0.951 462 L CB -0.102 41.721 42.059 -0.393 0.000 1.181 462 L HN 0.338 nan 8.230 nan 0.000 0.460 463 G N -0.114 108.606 108.800 -0.133 0.000 2.179 463 G HA2 -0.264 3.692 3.960 -0.007 0.000 0.260 463 G HA3 -0.264 3.692 3.960 -0.007 0.000 0.260 463 G C 0.347 175.186 174.900 -0.102 0.000 0.977 463 G CA 0.086 45.129 45.100 -0.094 0.000 0.641 463 G HN 0.133 nan 8.290 nan 0.000 0.533 464 V N 1.175 121.002 119.914 -0.145 0.000 2.585 464 V HA 0.320 4.436 4.120 -0.007 0.000 0.296 464 V C 0.858 176.891 176.094 -0.102 0.000 1.035 464 V CA 0.446 62.665 62.300 -0.134 0.000 1.084 464 V CB 1.251 32.961 31.823 -0.188 0.000 0.953 464 V HN 0.349 nan 8.190 nan 0.000 0.483 465 K N 3.024 123.376 120.400 -0.081 0.000 2.138 465 K HA 0.757 5.073 4.320 -0.007 0.000 0.263 465 K C 0.291 176.850 176.600 -0.068 0.000 0.965 465 K CA 0.107 56.356 56.287 -0.064 0.000 0.868 465 K CB 1.832 34.303 32.500 -0.048 0.000 1.083 465 K HN 1.063 nan 8.250 nan 0.000 0.443 466 G N 0.943 109.708 108.800 -0.059 0.000 2.355 466 G HA2 -0.180 3.776 3.960 -0.007 0.000 0.619 466 G HA3 -0.180 3.776 3.960 -0.007 0.000 0.619 466 G C 0.115 174.974 174.900 -0.067 0.000 1.337 466 G CA -0.348 44.715 45.100 -0.063 0.000 0.993 466 G HN 0.540 nan 8.290 nan 0.000 0.599 467 Q N -0.593 119.167 119.800 -0.067 0.000 2.077 467 Q HA 0.040 4.376 4.340 -0.007 0.000 0.206 467 Q C 1.292 177.222 176.000 -0.117 0.000 0.989 467 Q CA 2.845 58.608 55.803 -0.066 0.000 0.853 467 Q CB -0.193 28.511 28.738 -0.056 0.000 0.907 467 Q HN 0.763 nan 8.270 nan 0.000 0.418 468 T N 2.261 116.698 114.554 -0.196 0.000 2.809 468 T HA 0.379 4.725 4.350 -0.007 0.000 0.296 468 T C -2.565 171.932 174.700 -0.338 0.000 1.015 468 T CA -1.465 60.400 62.100 -0.391 0.000 0.954 468 T CB 1.649 70.220 68.868 -0.495 0.000 0.950 468 T HN 0.105 nan 8.240 nan 0.000 0.450 469 P HA 0.118 nan 4.420 nan 0.000 0.249 469 P C 0.005 177.219 177.300 -0.143 0.000 1.686 469 P CA -0.150 62.862 63.100 -0.145 0.000 0.873 469 P CB 0.028 31.718 31.700 -0.016 0.000 1.828 470 Q N 1.353 121.049 119.800 -0.173 0.000 2.286 470 Q HA 0.150 4.487 4.340 -0.007 0.000 0.257 470 Q C 0.059 176.008 176.000 -0.086 0.000 0.941 470 Q CA 0.146 55.931 55.803 -0.031 0.000 0.912 470 Q CB 0.814 29.504 28.738 -0.079 0.000 1.192 470 Q HN 0.106 nan 8.270 nan 0.000 0.410 471 N N 3.845 122.518 118.700 -0.044 0.000 2.589 471 N HA 0.052 4.789 4.740 -0.007 0.000 0.232 471 N C 0.447 175.961 175.510 0.006 0.000 1.015 471 N CA -0.185 52.813 53.050 -0.086 0.000 0.931 471 N CB 0.573 38.937 38.487 -0.205 0.000 1.150 471 N HN 0.372 nan 8.380 nan 0.000 0.512 472 L N 2.238 123.448 121.223 -0.022 0.000 2.450 472 L HA -0.123 4.213 4.340 -0.007 0.000 0.225 472 L C 1.481 178.374 176.870 0.039 0.000 1.145 472 L CA 1.253 56.083 54.840 -0.016 0.000 0.801 472 L CB -0.245 41.805 42.059 -0.016 0.000 0.924 472 L HN 0.455 nan 8.230 nan 0.000 0.447 473 D N -1.823 118.618 120.400 0.068 0.000 2.289 473 D HA -0.005 4.631 4.640 -0.007 0.000 0.207 473 D C 1.525 177.951 176.300 0.210 0.000 0.966 473 D CA 1.253 55.327 54.000 0.124 0.000 0.868 473 D CB 0.223 41.090 40.800 0.112 0.000 0.943 473 D HN 0.573 nan 8.370 nan 0.000 0.514 474 C N -1.074 118.362 119.300 0.227 0.000 3.692 474 C HA 0.292 4.748 4.460 -0.007 0.000 0.277 474 C C 2.433 177.608 174.990 0.309 0.000 2.095 474 C CA -0.817 58.415 59.018 0.358 0.000 1.666 474 C CB -1.293 26.772 27.740 0.541 0.000 3.354 474 C HN 0.398 nan 8.230 nan 0.000 0.474 475 C N -0.926 118.434 119.300 0.101 0.000 2.409 475 C HA 0.111 4.568 4.460 -0.007 0.000 0.284 475 C C 1.671 176.560 174.990 -0.168 0.000 1.354 475 C CA 0.809 59.751 59.018 -0.126 0.000 1.787 475 C CB -2.101 25.451 27.740 -0.313 0.000 1.900 475 C HN 0.639 nan 8.230 nan 0.000 0.520 476 F N 0.674 120.742 119.950 0.197 0.000 2.647 476 F HA 0.425 4.948 4.527 -0.007 0.000 0.300 476 F C 2.339 178.268 175.800 0.214 0.000 1.106 476 F CA -0.010 58.143 58.000 0.256 0.000 1.313 476 F CB -0.013 39.106 39.000 0.199 0.000 1.007 476 F HN 0.179 nan 8.300 nan 0.000 0.536 477 A N 0.471 123.439 122.820 0.246 0.000 1.940 477 A HA -0.206 4.110 4.320 -0.007 0.000 0.219 477 A C 1.851 179.359 177.584 -0.126 0.000 1.176 477 A CA 1.610 53.494 52.037 -0.255 0.000 0.631 477 A CB -0.829 17.801 19.000 -0.617 0.000 0.814 477 A HN 0.324 nan 8.150 nan 0.000 0.446 478 F N 0.164 119.996 119.950 -0.197 0.000 2.095 478 F HA -0.184 4.339 4.527 -0.007 0.000 0.298 478 F C 2.629 178.310 175.800 -0.199 0.000 1.104 478 F CA 1.546 59.402 58.000 -0.240 0.000 1.232 478 F CB -0.924 37.897 39.000 -0.299 0.000 0.987 478 F HN 0.396 nan 8.300 nan 0.000 0.475 479 H N -0.520 118.679 119.070 0.215 0.000 2.357 479 H HA -0.117 4.436 4.556 -0.006 0.000 0.301 479 H C 2.164 177.544 175.328 0.088 0.000 1.082 479 H CA 1.558 57.674 56.048 0.113 0.000 1.342 479 H CB -0.559 29.248 29.762 0.076 0.000 1.389 479 H HN 0.408 nan 8.280 nan 0.000 0.511 480 Q N 0.372 120.324 119.800 0.253 0.000 2.084 480 Q HA -0.168 4.169 4.340 -0.007 0.000 0.202 480 Q C 2.324 178.442 176.000 0.197 0.000 0.978 480 Q CA 1.398 57.343 55.803 0.236 0.000 0.844 480 Q CB 0.072 29.024 28.738 0.357 0.000 0.898 480 Q HN 0.284 nan 8.270 nan 0.000 0.426 481 E N 0.811 121.093 120.200 0.136 0.000 2.150 481 E HA -0.182 4.164 4.350 -0.007 0.000 0.193 481 E C 1.696 178.320 176.600 0.039 0.000 0.985 481 E CA 0.554 57.017 56.400 0.105 0.000 0.814 481 E CB -0.188 29.496 29.700 -0.026 0.000 0.752 481 E HN 0.234 nan 8.360 nan 0.000 0.466 482 L N 0.156 121.389 121.223 0.017 0.000 2.046 482 L HA -0.039 4.297 4.340 -0.007 0.000 0.208 482 L C 2.120 179.008 176.870 0.030 0.000 1.077 482 L CA 2.297 57.141 54.840 0.007 0.000 0.747 482 L CB -0.917 41.147 42.059 0.008 0.000 0.896 482 L HN 0.163 nan 8.230 nan 0.000 0.432 483 A N -0.924 121.930 122.820 0.057 0.000 1.968 483 A HA -0.092 4.224 4.320 -0.007 0.000 0.217 483 A C 2.143 179.756 177.584 0.048 0.000 1.169 483 A CA 1.309 53.378 52.037 0.053 0.000 0.638 483 A CB -0.351 18.689 19.000 0.067 0.000 0.812 483 A HN 0.411 nan 8.150 nan 0.000 0.446 484 K N -0.230 120.207 120.400 0.062 0.000 2.029 484 K HA 0.115 4.431 4.320 -0.007 0.000 0.205 484 K C 1.935 178.553 176.600 0.029 0.000 1.042 484 K CA 1.625 57.943 56.287 0.052 0.000 0.949 484 K CB -0.749 31.797 32.500 0.077 0.000 0.740 484 K HN 0.355 nan 8.250 nan 0.000 0.442 485 S N -1.071 114.643 115.700 0.024 0.000 2.497 485 S HA 0.186 4.652 4.470 -0.007 0.000 0.221 485 S C 1.212 175.810 174.600 -0.003 0.000 1.037 485 S CA 0.607 58.809 58.200 0.005 0.000 0.920 485 S CB 0.714 63.911 63.200 -0.005 0.000 0.800 485 S HN 0.556 nan 8.310 nan 0.000 0.505 486 G N 1.464 110.263 108.800 -0.002 0.000 2.175 486 G HA2 -0.186 3.770 3.960 -0.007 0.000 0.244 486 G HA3 -0.186 3.770 3.960 -0.007 0.000 0.244 486 G C -0.226 174.664 174.900 -0.016 0.000 0.982 486 G CA 0.330 45.426 45.100 -0.006 0.000 0.641 486 G HN 0.507 nan 8.290 nan 0.000 0.527 490 N N 0.865 119.447 118.700 -0.197 0.000 2.521 490 N HA 0.044 4.780 4.740 -0.007 0.000 0.188 490 N C -0.011 175.415 175.510 -0.139 0.000 1.146 490 N CA 0.476 53.444 53.050 -0.136 0.000 0.893 490 N CB 0.502 38.942 38.487 -0.078 0.000 0.975 490 N HN -0.048 nan 8.380 nan 0.000 0.451 491 V N 1.364 121.121 119.914 -0.261 0.000 2.715 491 V HA 0.151 4.267 4.120 -0.007 0.000 0.299 491 V C 0.528 176.419 176.094 -0.338 0.000 1.054 491 V CA 0.038 62.142 62.300 -0.326 0.000 1.077 491 V CB 0.788 32.211 31.823 -0.666 0.000 0.972 491 V HN 0.112 nan 8.190 nan 0.000 0.484 492 R N 2.711 123.066 120.500 -0.240 0.000 2.531 492 R HA 0.198 4.534 4.340 -0.007 0.000 0.293 492 R C -0.154 176.122 176.300 -0.039 0.000 1.124 492 R CA -0.527 55.472 56.100 -0.169 0.000 0.945 492 R CB 1.104 31.389 30.300 -0.026 0.000 1.195 492 R HN 0.787 nan 8.270 nan 0.000 0.433 493 W N 1.305 122.739 121.300 0.224 0.000 2.331 493 W HA -0.179 4.476 4.660 -0.007 0.000 0.291 493 W C 1.391 178.035 176.519 0.207 0.000 1.214 493 W CA 0.644 58.134 57.345 0.242 0.000 1.228 493 W CB 0.190 29.765 29.460 0.193 0.000 1.135 493 W HN 0.579 nan 8.180 nan 0.000 0.537 494 E N -0.050 120.341 120.200 0.318 0.000 2.338 494 E HA -0.146 4.200 4.350 -0.007 0.000 0.197 494 E C 1.331 178.020 176.600 0.149 0.000 1.007 494 E CA 1.213 57.736 56.400 0.204 0.000 0.849 494 E CB -0.376 29.407 29.700 0.138 0.000 0.774 494 E HN 0.214 nan 8.360 nan 0.000 0.506 495 D N -1.170 119.318 120.400 0.147 0.000 2.240 495 D HA -0.021 4.616 4.640 -0.007 0.000 0.206 495 D C 0.131 176.393 176.300 -0.064 0.000 0.963 495 D CA 0.609 54.618 54.000 0.015 0.000 0.863 495 D CB 0.123 40.902 40.800 -0.035 0.000 0.973 495 D HN 0.152 nan 8.370 nan 0.000 0.501 496 Y N 0.000 120.387 120.300 0.145 0.000 2.660 496 Y HA 0.000 4.546 4.550 -0.007 0.000 0.201 496 Y CA 0.000 58.214 58.100 0.190 0.000 1.940 496 Y CB 0.000 38.623 38.460 0.272 0.000 1.050 496 Y HN 0.000 nan 8.280 nan 0.000 0.758