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 3h3x_1_S DATA FIRST_RESID 6 DATA SEQUENCE PTPQSTFTGP IVVDPITRIE GHLRIMVEVE NGKVKDAWSS SQLFRGLEII DATA SEQUENCE LKGRDPRDAQ HFTQRACGMC TYVHALASSR CVDDAVKVSI PANARMMRNL DATA SEQUENCE VMASQYLHDH LVHFYHLHAL DWVDVTAALK ADPNKAAKLA ASIAPARPGN DATA SEQUENCE SAKALKAVQD KLKAFVESGQ LGIFTNAYFL GGHKAYYLPP EVDLIATAHY DATA SEQUENCE LEALHMQVKA ASAMAILGGK NPHTQFTVVG GCSNYQGLTK DPLANYLALS DATA SEQUENCE KEVcQFVNEC YIPDLLAVAG FYKDWGGIGG TSNYLAFGEF ATDDSSPEKH DATA SEQUENCE LATSQFPSGV ITGRDLGKVD NVDLGAIYED VKYSWYAPGG DGKHPYDGVT DATA SEQUENCE DPKYTKLDDK DHYSWMKAPR YKGKAMEVGP LARTFIAYAK GQPDFKKVVD DATA SEQUENCE MVLGKLSVPA TALHSTLGRT AARGIETAIV cANMEKWIKE MADSGAKDNT DATA SEQUENCE LCAKWEMPEE SKGVGLADAP RGALSHWIRI KGKKIDNFQL VVPSTWNLGP DATA SEQUENCE RGAQGDKSPV EEALIGTPIA DPKRPVEILR TVHAFDPCIA CGVH 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.334 177.300 0.056 0.000 1.155 6 P CA 0.000 63.111 63.100 0.019 0.000 0.800 6 P CB 0.000 31.714 31.700 0.023 0.000 0.726 7 T N 2.542 117.154 114.554 0.097 0.000 2.829 7 T HA 0.310 4.660 4.350 -0.001 0.000 0.293 7 T C -2.173 172.630 174.700 0.171 0.000 0.970 7 T CA -0.105 62.107 62.100 0.186 0.000 1.168 7 T CB -0.590 68.359 68.868 0.134 0.000 0.911 7 T HN 0.252 nan 8.240 nan 0.000 0.535 8 P HA 0.192 nan 4.420 nan 0.000 0.268 8 P C -0.488 176.907 177.300 0.159 0.000 1.204 8 P CA -0.190 63.023 63.100 0.188 0.000 0.768 8 P CB 0.450 32.295 31.700 0.243 0.000 0.842 9 Q N 1.544 121.413 119.800 0.114 0.000 2.313 9 Q HA 0.360 4.699 4.340 -0.001 0.000 0.255 9 Q C -0.606 175.444 176.000 0.084 0.000 0.944 9 Q CA -0.464 55.397 55.803 0.097 0.000 0.881 9 Q CB 1.356 30.140 28.738 0.077 0.000 1.375 9 Q HN 0.578 nan 8.270 nan 0.000 0.422 10 S N 1.470 117.225 115.700 0.092 0.000 2.625 10 S HA 0.314 4.784 4.470 -0.001 0.000 0.262 10 S C 0.839 175.499 174.600 0.101 0.000 1.223 10 S CA 0.448 58.703 58.200 0.092 0.000 0.993 10 S CB 0.912 64.171 63.200 0.098 0.000 1.051 10 S HN 0.764 nan 8.310 nan 0.000 0.562 11 T N -2.300 112.320 114.554 0.110 0.000 3.129 11 T HA 0.278 4.628 4.350 -0.001 0.000 0.267 11 T C -0.027 174.743 174.700 0.117 0.000 1.018 11 T CA -0.522 61.631 62.100 0.089 0.000 0.903 11 T CB -0.766 68.138 68.868 0.060 0.000 1.067 11 T HN 0.465 nan 8.240 nan 0.000 0.549 12 F N 3.442 123.400 119.950 0.013 0.000 2.607 12 F HA 0.394 4.920 4.527 -0.001 0.000 0.374 12 F C -0.125 175.684 175.800 0.015 0.000 1.104 12 F CA 0.229 58.236 58.000 0.013 0.000 1.296 12 F CB 0.439 39.447 39.000 0.013 0.000 1.085 12 F HN 0.016 nan 8.300 nan 0.000 0.584 13 T N 5.115 119.167 114.554 -0.835 0.000 2.847 13 T HA 0.718 5.068 4.350 -0.001 0.000 0.291 13 T C -0.093 173.911 174.700 -1.160 0.000 0.998 13 T CA -0.135 61.492 62.100 -0.788 0.000 0.967 13 T CB 0.879 69.541 68.868 -0.344 0.000 0.954 13 T HN 1.105 nan 8.240 nan 0.000 0.441 14 G N 4.124 112.336 108.800 -0.979 0.000 2.341 14 G HA2 0.443 4.403 3.960 -0.001 0.000 0.293 14 G HA3 0.443 4.403 3.960 -0.001 0.000 0.293 14 G C -3.451 171.418 174.900 -0.052 0.000 1.298 14 G CA -0.915 43.901 45.100 -0.472 0.000 0.868 14 G HN 0.462 nan 8.290 nan 0.000 0.540 15 P HA 0.633 nan 4.420 nan 0.000 0.282 15 P C -0.690 176.771 177.300 0.269 0.000 1.249 15 P CA -0.248 62.952 63.100 0.166 0.000 0.806 15 P CB 1.513 33.260 31.700 0.078 0.000 0.984 16 I N 1.602 122.297 120.570 0.208 0.000 2.533 16 I HA 0.317 4.487 4.170 -0.001 0.000 0.290 16 I C -0.507 175.678 176.117 0.113 0.000 1.056 16 I CA -1.124 60.265 61.300 0.148 0.000 1.057 16 I CB 2.512 40.592 38.000 0.133 0.000 1.240 16 I HN -0.022 nan 8.210 nan 0.000 0.423 17 V N 6.727 126.692 119.914 0.086 0.000 2.495 17 V HA 0.449 4.569 4.120 -0.001 0.000 0.298 17 V C -0.306 175.843 176.094 0.092 0.000 1.031 17 V CA -0.688 61.663 62.300 0.085 0.000 0.871 17 V CB 2.129 33.992 31.823 0.066 0.000 0.988 17 V HN 0.400 nan 8.190 nan 0.000 0.432 18 V N 3.672 123.650 119.914 0.107 0.000 2.376 18 V HA 0.614 4.734 4.120 -0.001 0.000 0.287 18 V C -0.910 175.256 176.094 0.120 0.000 1.015 18 V CA -0.283 62.088 62.300 0.118 0.000 0.834 18 V CB 1.516 33.414 31.823 0.126 0.000 1.001 18 V HN 0.953 nan 8.190 nan 0.000 0.428 19 D N 5.393 125.864 120.400 0.119 0.000 2.591 19 D HA 0.458 5.098 4.640 -0.001 0.000 0.222 19 D C -2.383 173.988 176.300 0.118 0.000 1.360 19 D CA -0.655 53.421 54.000 0.128 0.000 0.967 19 D CB 2.431 43.309 40.800 0.131 0.000 1.456 19 D HN 0.434 nan 8.370 nan 0.000 0.588 20 P HA 0.403 nan 4.420 nan 0.000 0.277 20 P C -0.250 177.121 177.300 0.118 0.000 1.240 20 P CA -0.631 62.552 63.100 0.138 0.000 0.798 20 P CB 1.071 32.856 31.700 0.141 0.000 0.979 21 I N 2.708 123.351 120.570 0.122 0.000 2.363 21 I HA 0.056 4.226 4.170 -0.001 0.000 0.292 21 I C 1.418 177.608 176.117 0.121 0.000 1.075 21 I CA 0.169 61.531 61.300 0.103 0.000 1.333 21 I CB 0.298 38.355 38.000 0.095 0.000 1.415 21 I HN 0.521 nan 8.210 nan 0.000 0.502 22 T N 3.655 118.278 114.554 0.115 0.000 2.810 22 T HA 0.402 4.752 4.350 -0.001 0.000 0.277 22 T C 0.788 175.597 174.700 0.183 0.000 0.973 22 T CA -0.732 61.431 62.100 0.104 0.000 0.949 22 T CB 0.669 69.563 68.868 0.042 0.000 1.075 22 T HN 0.611 nan 8.240 nan 0.000 0.537 23 R N -0.028 120.517 120.500 0.074 0.000 3.416 23 R HA -0.140 4.199 4.340 -0.001 0.000 0.263 23 R C -0.122 176.191 176.300 0.022 0.000 1.053 23 R CA 0.825 56.915 56.100 -0.016 0.000 0.705 23 R CB -2.165 28.026 30.300 -0.182 0.000 1.124 23 R HN 0.788 nan 8.270 nan 0.000 0.444 24 I N -4.691 115.945 120.570 0.111 0.000 3.279 24 I HA 0.518 4.688 4.170 -0.001 0.000 0.315 24 I C -0.190 175.980 176.117 0.088 0.000 1.187 24 I CA -1.266 60.123 61.300 0.148 0.000 0.953 24 I CB 1.963 40.081 38.000 0.197 0.000 1.279 24 I HN -0.232 nan 8.210 nan 0.000 0.465 25 E N 2.026 122.285 120.200 0.099 0.000 2.259 25 E HA 0.552 4.902 4.350 -0.001 0.000 0.281 25 E C 0.136 176.744 176.600 0.013 0.000 1.037 25 E CA 1.091 57.525 56.400 0.058 0.000 0.854 25 E CB 0.853 30.612 29.700 0.099 0.000 1.051 25 E HN 1.022 nan 8.360 nan 0.000 0.409 26 G N 4.426 113.153 108.800 -0.122 0.000 2.627 26 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.214 26 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.214 26 G C -1.000 173.690 174.900 -0.350 0.000 1.331 26 G CA -0.589 44.366 45.100 -0.243 0.000 0.891 26 G HN 0.695 nan 8.290 nan 0.000 0.539 27 H N -0.496 118.658 119.070 0.140 0.000 2.685 27 H HA 0.605 5.161 4.556 -0.001 0.000 0.307 27 H C -0.636 174.805 175.328 0.188 0.000 1.017 27 H CA -0.403 55.736 56.048 0.151 0.000 1.237 27 H CB 1.436 31.283 29.762 0.141 0.000 1.409 27 H HN 0.533 nan 8.280 nan 0.000 0.488 28 L N 3.157 124.533 121.223 0.256 0.000 2.386 28 L HA 0.449 4.788 4.340 -0.001 0.000 0.271 28 L C -0.445 176.552 176.870 0.212 0.000 0.993 28 L CA -0.625 54.353 54.840 0.229 0.000 0.819 28 L CB 2.013 44.179 42.059 0.178 0.000 1.294 28 L HN 0.543 nan 8.230 nan 0.000 0.414 29 R N 5.484 126.117 120.500 0.220 0.000 2.494 29 R HA 0.666 5.006 4.340 -0.001 0.000 0.305 29 R C -1.704 174.702 176.300 0.177 0.000 0.959 29 R CA -0.689 55.526 56.100 0.192 0.000 0.864 29 R CB 1.238 31.665 30.300 0.211 0.000 1.159 29 R HN 0.622 nan 8.270 nan 0.000 0.446 30 I N 5.368 126.027 120.570 0.148 0.000 2.433 30 I HA 0.339 4.509 4.170 -0.001 0.000 0.292 30 I C -0.646 175.558 176.117 0.145 0.000 1.001 30 I CA -0.989 60.399 61.300 0.146 0.000 1.119 30 I CB 1.803 39.874 38.000 0.119 0.000 1.289 30 I HN 0.707 nan 8.210 nan 0.000 0.438 31 M N 7.215 126.921 119.600 0.178 0.000 2.383 31 M HA 0.612 5.091 4.480 -0.001 0.000 0.325 31 M C -0.385 176.101 176.300 0.310 0.000 1.092 31 M CA -0.744 54.661 55.300 0.174 0.000 0.961 31 M CB 2.153 34.779 32.600 0.043 0.000 1.672 31 M HN 0.342 nan 8.290 nan 0.000 0.438 32 V N -1.493 118.573 119.914 0.254 0.000 2.876 32 V HA 0.721 4.841 4.120 -0.001 0.000 0.312 32 V C -0.830 175.420 176.094 0.260 0.000 1.085 32 V CA -0.744 61.719 62.300 0.271 0.000 0.945 32 V CB 2.222 34.147 31.823 0.169 0.000 1.017 32 V HN 0.742 nan 8.190 nan 0.000 0.428 33 E N 1.763 122.128 120.200 0.274 0.000 2.175 33 E HA 0.635 4.985 4.350 -0.001 0.000 0.278 33 E C -1.115 175.547 176.600 0.103 0.000 0.969 33 E CA -0.322 56.181 56.400 0.172 0.000 0.796 33 E CB 2.106 31.916 29.700 0.185 0.000 1.104 33 E HN 0.677 nan 8.360 nan 0.000 0.395 34 V N 3.109 123.061 119.914 0.064 0.000 2.513 34 V HA 0.367 4.486 4.120 -0.001 0.000 0.299 34 V C -0.001 176.045 176.094 -0.080 0.000 1.035 34 V CA -0.660 61.664 62.300 0.041 0.000 0.889 34 V CB 1.923 33.852 31.823 0.178 0.000 0.988 34 V HN 0.544 nan 8.190 nan 0.000 0.440 35 E N 3.067 123.238 120.200 -0.049 0.000 2.246 35 E HA 0.345 4.695 4.350 -0.001 0.000 0.266 35 E C -0.763 175.813 176.600 -0.040 0.000 0.880 35 E CA -0.719 55.635 56.400 -0.078 0.000 0.762 35 E CB 1.421 31.088 29.700 -0.055 0.000 1.180 35 E HN 0.711 nan 8.360 nan 0.000 0.416 36 N N 2.011 120.681 118.700 -0.050 0.000 2.686 36 N HA -0.245 4.495 4.740 -0.001 0.000 0.261 36 N C 0.688 176.220 175.510 0.037 0.000 1.001 36 N CA 1.426 54.474 53.050 -0.004 0.000 0.764 36 N CB -0.968 37.516 38.487 -0.005 0.000 0.898 36 N HN 1.054 nan 8.380 nan 0.000 0.544 37 G N -1.234 107.615 108.800 0.080 0.000 2.189 37 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.267 37 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.267 37 G C 0.072 175.029 174.900 0.095 0.000 0.975 37 G CA 1.040 46.212 45.100 0.121 0.000 0.644 37 G HN 0.530 nan 8.290 nan 0.000 0.537 38 K N -0.104 120.334 120.400 0.063 0.000 2.316 38 K HA 0.571 4.891 4.320 -0.001 0.000 0.251 38 K C 0.031 176.658 176.600 0.045 0.000 0.934 38 K CA -0.907 55.407 56.287 0.045 0.000 0.802 38 K CB 2.805 35.315 32.500 0.016 0.000 1.171 38 K HN -0.004 nan 8.250 nan 0.000 0.426 39 V N 4.073 124.014 119.914 0.045 0.000 2.521 39 V HA -0.011 4.108 4.120 -0.001 0.000 0.286 39 V C 1.308 177.406 176.094 0.007 0.000 1.034 39 V CA 0.459 62.784 62.300 0.042 0.000 1.045 39 V CB 0.564 32.416 31.823 0.049 0.000 0.974 39 V HN 0.814 nan 8.190 nan 0.000 0.480 40 K N 2.169 122.570 120.400 0.002 0.000 2.370 40 K HA 0.313 4.632 4.320 -0.001 0.000 0.194 40 K C 0.050 176.611 176.600 -0.065 0.000 1.070 40 K CA -0.051 56.221 56.287 -0.025 0.000 0.998 40 K CB 0.812 33.303 32.500 -0.015 0.000 0.911 40 K HN 0.564 nan 8.250 nan 0.000 0.533 41 D N -0.454 119.900 120.400 -0.075 0.000 2.623 41 D HA 0.593 5.233 4.640 -0.001 0.000 0.241 41 D C -1.928 174.198 176.300 -0.290 0.000 1.241 41 D CA -0.407 53.440 54.000 -0.255 0.000 0.788 41 D CB 2.501 43.138 40.800 -0.271 0.000 1.413 41 D HN 0.209 nan 8.370 nan 0.000 0.429 42 A N 1.038 123.436 122.820 -0.705 0.000 2.604 42 A HA 0.722 5.042 4.320 -0.001 0.000 0.295 42 A C -1.858 175.281 177.584 -0.742 0.000 1.067 42 A CA -0.791 51.000 52.037 -0.411 0.000 0.683 42 A CB 1.661 20.557 19.000 -0.172 0.000 1.281 42 A HN 0.349 nan 8.150 nan 0.000 0.407 43 W N 0.816 122.021 121.300 -0.158 0.000 3.097 43 W HA 0.529 5.188 4.660 -0.001 0.000 0.335 43 W C -0.202 176.287 176.519 -0.051 0.000 1.114 43 W CA -0.497 56.696 57.345 -0.254 0.000 1.231 43 W CB 2.388 31.506 29.460 -0.571 0.000 1.388 43 W HN 0.782 nan 8.180 nan 0.000 0.485 44 S N 2.237 118.107 115.700 0.283 0.000 2.448 44 S HA 0.396 4.866 4.470 -0.001 0.000 0.320 44 S C -0.637 174.163 174.600 0.334 0.000 1.071 44 S CA -0.110 58.233 58.200 0.238 0.000 1.113 44 S CB 1.031 64.308 63.200 0.130 0.000 0.972 44 S HN 0.335 nan 8.310 nan 0.000 0.465 45 S N 4.393 120.271 115.700 0.297 0.000 2.669 45 S HA 0.492 4.961 4.470 -0.001 0.000 0.315 45 S C -0.439 174.352 174.600 0.318 0.000 1.106 45 S CA -0.558 57.830 58.200 0.313 0.000 1.107 45 S CB 0.547 63.934 63.200 0.312 0.000 0.990 45 S HN 0.672 nan 8.310 nan 0.000 0.471 46 S N 4.219 120.117 115.700 0.330 0.000 2.528 46 S HA 0.245 4.715 4.470 -0.001 0.000 0.277 46 S C 0.762 175.740 174.600 0.630 0.000 1.297 46 S CA -0.534 57.915 58.200 0.415 0.000 1.052 46 S CB 1.013 64.446 63.200 0.388 0.000 0.917 46 S HN 0.753 nan 8.310 nan 0.000 0.492 47 Q N 1.190 121.322 119.800 0.554 0.000 2.247 47 Q HA 0.296 4.636 4.340 -0.001 0.000 0.211 47 Q C -0.695 175.560 176.000 0.425 0.000 0.861 47 Q CA -0.018 56.118 55.803 0.554 0.000 0.949 47 Q CB 0.438 29.401 28.738 0.374 0.000 1.115 47 Q HN 0.538 nan 8.270 nan 0.000 0.507 48 L N -0.145 121.286 121.223 0.348 0.000 2.431 48 L HA 0.585 4.925 4.340 -0.001 0.000 0.266 48 L C -1.778 174.986 176.870 -0.177 0.000 0.978 48 L CA -0.889 53.973 54.840 0.035 0.000 0.822 48 L CB 1.844 43.957 42.059 0.090 0.000 1.310 48 L HN -0.104 nan 8.230 nan 0.000 0.409 49 F N 4.452 123.971 119.950 -0.718 0.000 2.507 49 F HA 0.615 5.141 4.527 -0.001 0.000 0.325 49 F C 0.517 176.055 175.800 -0.437 0.000 1.116 49 F CA -0.273 57.252 58.000 -0.792 0.000 0.930 49 F CB 1.795 39.753 39.000 -1.737 0.000 1.146 49 F HN 0.632 nan 8.300 nan 0.000 0.447 50 R N 2.593 122.485 120.500 -1.014 0.000 2.167 50 R HA 0.339 4.678 4.340 -0.001 0.000 0.195 50 R C 0.461 176.217 176.300 -0.907 0.000 1.027 50 R CA 0.370 56.047 56.100 -0.705 0.000 1.114 50 R CB 0.425 30.508 30.300 -0.361 0.000 1.075 50 R HN 0.935 nan 8.270 nan 0.000 0.538 51 G N 1.458 109.539 108.800 -1.199 0.000 2.356 51 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.233 51 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.233 51 G C 0.423 175.194 174.900 -0.215 0.000 1.105 51 G CA -0.140 44.547 45.100 -0.689 0.000 0.861 51 G HN 0.139 nan 8.290 nan 0.000 0.493 52 L N -0.697 120.433 121.223 -0.156 0.000 2.083 52 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 52 L C 2.762 179.597 176.870 -0.059 0.000 1.083 52 L CA 2.015 56.809 54.840 -0.076 0.000 0.752 52 L CB -0.353 41.675 42.059 -0.052 0.000 0.899 52 L HN 0.498 nan 8.230 nan 0.000 0.433 53 E N 0.484 120.706 120.200 0.037 0.000 2.085 53 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 53 E C 2.234 178.864 176.600 0.050 0.000 0.994 53 E CA 1.306 57.757 56.400 0.086 0.000 0.801 53 E CB -0.117 29.686 29.700 0.172 0.000 0.743 53 E HN 0.464 nan 8.360 nan 0.000 0.453 54 I N 0.693 121.301 120.570 0.063 0.000 2.179 54 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 54 I C 2.278 178.385 176.117 -0.018 0.000 1.088 54 I CA 1.052 62.386 61.300 0.056 0.000 1.357 54 I CB -0.228 37.840 38.000 0.113 0.000 1.051 54 I HN 0.088 nan 8.210 nan 0.000 0.409 55 I N 0.483 121.016 120.570 -0.062 0.000 2.264 55 I HA -0.308 3.862 4.170 -0.001 0.000 0.248 55 I C 2.377 178.328 176.117 -0.276 0.000 1.111 55 I CA 1.464 62.684 61.300 -0.133 0.000 1.382 55 I CB -0.285 37.652 38.000 -0.104 0.000 1.060 55 I HN 0.215 nan 8.210 nan 0.000 0.418 56 L N 0.339 121.378 121.223 -0.307 0.000 2.201 56 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 56 L C 1.348 178.082 176.870 -0.225 0.000 1.105 56 L CA 0.530 55.128 54.840 -0.403 0.000 0.775 56 L CB -0.404 41.411 42.059 -0.407 0.000 0.913 56 L HN 0.123 nan 8.230 nan 0.000 0.440 57 K N 0.375 120.710 120.400 -0.109 0.000 2.491 57 K HA 0.054 4.373 4.320 -0.001 0.000 0.279 57 K C 1.081 177.648 176.600 -0.055 0.000 1.026 57 K CA 0.934 57.195 56.287 -0.043 0.000 1.070 57 K CB 0.156 32.653 32.500 -0.006 0.000 0.887 57 K HN 0.264 nan 8.250 nan 0.000 0.481 58 G N 3.179 111.961 108.800 -0.029 0.000 2.199 58 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.254 58 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.254 58 G C 0.163 175.043 174.900 -0.033 0.000 0.982 58 G CA 0.235 45.323 45.100 -0.021 0.000 0.632 58 G HN 0.624 nan 8.290 nan 0.000 0.529 59 R N 0.240 120.695 120.500 -0.075 0.000 2.531 59 R HA 0.440 4.780 4.340 -0.001 0.000 0.260 59 R C -0.262 176.020 176.300 -0.029 0.000 1.144 59 R CA -0.500 55.551 56.100 -0.082 0.000 1.171 59 R CB 0.332 30.505 30.300 -0.211 0.000 1.199 59 R HN 0.178 nan 8.270 nan 0.000 0.594 60 D N 1.080 121.484 120.400 0.007 0.000 2.371 60 D HA 0.045 4.685 4.640 -0.001 0.000 0.256 60 D C -1.718 174.607 176.300 0.042 0.000 1.193 60 D CA -1.944 52.087 54.000 0.050 0.000 0.881 60 D CB 1.307 42.157 40.800 0.084 0.000 1.143 60 D HN 0.110 nan 8.370 nan 0.000 0.473 61 P HA -0.129 nan 4.420 nan 0.000 0.218 61 P C 1.077 178.395 177.300 0.030 0.000 1.146 61 P CA 1.143 64.274 63.100 0.052 0.000 0.813 61 P CB 0.216 31.959 31.700 0.072 0.000 0.778 62 R N -0.654 119.889 120.500 0.070 0.000 2.120 62 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 62 R C 1.484 177.834 176.300 0.085 0.000 1.123 62 R CA 1.298 57.442 56.100 0.074 0.000 0.975 62 R CB -0.681 29.720 30.300 0.168 0.000 0.866 62 R HN 0.250 nan 8.270 nan 0.000 0.446 63 D N 0.499 120.976 120.400 0.128 0.000 2.277 63 D HA -0.002 4.638 4.640 -0.001 0.000 0.208 63 D C 1.760 178.170 176.300 0.184 0.000 0.962 63 D CA 0.899 55.047 54.000 0.246 0.000 0.865 63 D CB -0.132 40.862 40.800 0.325 0.000 0.939 63 D HN 0.192 nan 8.370 nan 0.000 0.510 64 A N 1.799 124.601 122.820 -0.031 0.000 1.881 64 A HA -0.360 3.960 4.320 -0.001 0.000 0.219 64 A C 2.180 179.672 177.584 -0.154 0.000 1.215 64 A CA 2.801 54.701 52.037 -0.229 0.000 0.648 64 A CB -1.112 17.654 19.000 -0.389 0.000 0.832 64 A HN 0.442 nan 8.150 nan 0.000 0.455 65 Q N -1.660 118.027 119.800 -0.188 0.000 2.197 65 Q HA -0.267 4.073 4.340 -0.001 0.000 0.207 65 Q C 1.800 177.640 176.000 -0.266 0.000 0.984 65 Q CA 1.959 57.619 55.803 -0.239 0.000 0.869 65 Q CB -0.675 27.846 28.738 -0.362 0.000 0.906 65 Q HN 0.800 nan 8.270 nan 0.000 0.426 66 H N -0.696 118.365 119.070 -0.016 0.000 2.395 66 H HA -0.008 4.548 4.556 -0.000 0.000 0.299 66 H C 1.641 176.864 175.328 -0.176 0.000 1.070 66 H CA 1.195 57.182 56.048 -0.102 0.000 1.356 66 H CB -0.250 29.435 29.762 -0.128 0.000 1.401 66 H HN 0.325 nan 8.280 nan 0.000 0.524 67 F N 1.227 121.138 119.950 -0.064 0.000 2.128 67 F HA -0.162 4.365 4.527 -0.001 0.000 0.295 67 F C 2.893 178.593 175.800 -0.168 0.000 1.100 67 F CA 1.708 59.633 58.000 -0.125 0.000 1.260 67 F CB -0.593 38.309 39.000 -0.164 0.000 1.009 67 F HN 0.190 nan 8.300 nan 0.000 0.476 68 T N -2.298 112.260 114.554 0.007 0.000 2.951 68 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 68 T C 1.846 176.523 174.700 -0.037 0.000 1.073 68 T CA 1.153 63.219 62.100 -0.057 0.000 1.134 68 T CB -0.593 68.271 68.868 -0.007 0.000 0.884 68 T HN 0.339 nan 8.240 nan 0.000 0.479 69 Q N 0.724 120.507 119.800 -0.029 0.000 2.152 69 Q HA -0.146 4.194 4.340 -0.001 0.000 0.206 69 Q C 2.063 177.952 176.000 -0.185 0.000 0.985 69 Q CA 1.366 57.132 55.803 -0.062 0.000 0.863 69 Q CB -0.095 28.558 28.738 -0.142 0.000 0.904 69 Q HN 0.327 nan 8.270 nan 0.000 0.422 70 R N -0.299 120.059 120.500 -0.236 0.000 2.339 70 R HA 0.073 4.413 4.340 -0.001 0.000 0.199 70 R C 1.643 177.922 176.300 -0.036 0.000 1.018 70 R CA 0.724 56.732 56.100 -0.153 0.000 1.036 70 R CB -0.504 29.716 30.300 -0.132 0.000 0.899 70 R HN 0.362 nan 8.270 nan 0.000 0.473 71 A N -0.771 121.982 122.820 -0.112 0.000 1.972 71 A HA -0.097 4.223 4.320 -0.001 0.000 0.219 71 A C 0.838 178.422 177.584 0.001 0.000 1.169 71 A CA 1.154 53.101 52.037 -0.149 0.000 0.635 71 A CB -0.062 18.619 19.000 -0.532 0.000 0.810 71 A HN 0.389 nan 8.150 nan 0.000 0.446 72 C N -3.516 115.854 119.300 0.118 0.000 3.090 72 C HA 0.597 5.057 4.460 -0.001 0.000 0.347 72 C C 1.180 176.367 174.990 0.327 0.000 1.147 72 C CA -0.148 59.004 59.018 0.223 0.000 1.305 72 C CB 1.133 29.034 27.740 0.268 0.000 1.692 72 C HN 0.508 nan 8.230 nan 0.000 0.506 73 G N 2.885 111.824 108.800 0.231 0.000 3.159 73 G HA2 0.123 4.083 3.960 -0.001 0.000 0.232 73 G HA3 0.123 4.083 3.960 -0.001 0.000 0.232 73 G C 0.894 175.837 174.900 0.072 0.000 1.116 73 G CA 0.396 45.556 45.100 0.102 0.000 0.767 73 G HN 0.745 nan 8.290 nan 0.000 0.547 74 M N 0.706 120.386 119.600 0.133 0.000 2.171 74 M HA 0.051 4.531 4.480 -0.001 0.000 0.260 74 M C 1.754 178.159 176.300 0.175 0.000 1.087 74 M CA 1.081 56.468 55.300 0.145 0.000 1.154 74 M CB 0.080 32.769 32.600 0.148 0.000 1.331 74 M HN 0.222 nan 8.290 nan 0.000 0.431 75 C N 1.645 121.059 119.300 0.190 0.000 3.093 75 C HA 0.318 4.778 4.460 -0.001 0.000 0.515 75 C C 1.061 176.190 174.990 0.233 0.000 1.253 75 C CA -1.039 58.090 59.018 0.186 0.000 1.476 75 C CB -2.577 25.253 27.740 0.150 0.000 1.873 75 C HN 0.463 nan 8.230 nan 0.000 0.632 76 T N -0.208 114.491 114.554 0.241 0.000 2.788 76 T HA 0.146 4.496 4.350 -0.001 0.000 0.333 76 T C 0.534 175.454 174.700 0.367 0.000 1.090 76 T CA 1.800 64.093 62.100 0.322 0.000 1.094 76 T CB 0.102 69.110 68.868 0.234 0.000 0.999 76 T HN 1.404 nan 8.240 nan 0.000 0.549 77 Y N 0.977 121.413 120.300 0.226 0.000 2.749 77 Y HA -0.395 4.154 4.550 -0.001 0.000 0.482 77 Y C 1.700 177.657 175.900 0.096 0.000 1.210 77 Y CA 3.466 61.666 58.100 0.167 0.000 2.729 77 Y CB -2.140 36.425 38.460 0.175 0.000 0.974 77 Y HN 0.526 nan 8.280 nan 0.000 0.548 78 V N -0.838 118.997 119.914 -0.131 0.000 2.453 78 V HA -0.273 3.847 4.120 -0.001 0.000 0.252 78 V C 2.203 178.030 176.094 -0.446 0.000 1.068 78 V CA 2.646 64.715 62.300 -0.384 0.000 1.070 78 V CB -0.942 30.747 31.823 -0.223 0.000 0.664 78 V HN 0.719 nan 8.190 nan 0.000 0.461 79 H N 0.654 119.633 119.070 -0.151 0.000 2.436 79 H HA 0.234 4.790 4.556 -0.001 0.000 0.294 79 H C 2.535 177.774 175.328 -0.148 0.000 1.048 79 H CA 1.540 57.538 56.048 -0.084 0.000 1.353 79 H CB -0.109 29.735 29.762 0.135 0.000 1.414 79 H HN 0.595 nan 8.280 nan 0.000 0.536 80 A N 1.436 124.210 122.820 -0.075 0.000 1.902 80 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 80 A C 2.478 179.876 177.584 -0.312 0.000 1.181 80 A CA 1.300 53.240 52.037 -0.161 0.000 0.623 80 A CB -0.769 18.179 19.000 -0.088 0.000 0.818 80 A HN 0.283 nan 8.150 nan 0.000 0.443 81 L N -0.149 120.748 121.223 -0.544 0.000 2.012 81 L HA -0.096 4.244 4.340 -0.001 0.000 0.210 81 L C 2.669 179.273 176.870 -0.443 0.000 1.073 81 L CA 2.398 56.904 54.840 -0.558 0.000 0.748 81 L CB -0.831 40.727 42.059 -0.835 0.000 0.891 81 L HN 0.339 nan 8.230 nan 0.000 0.431 82 A N -1.644 120.857 122.820 -0.532 0.000 1.933 82 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 82 A C 2.394 179.704 177.584 -0.457 0.000 1.175 82 A CA 1.988 53.639 52.037 -0.644 0.000 0.628 82 A CB -0.898 17.453 19.000 -1.081 0.000 0.814 82 A HN 0.541 nan 8.150 nan 0.000 0.444 83 S N -0.093 115.473 115.700 -0.223 0.000 2.387 83 S HA -0.076 4.393 4.470 -0.001 0.000 0.226 83 S C 2.291 176.866 174.600 -0.040 0.000 1.026 83 S CA 1.268 59.565 58.200 0.161 0.000 0.972 83 S CB -0.209 63.153 63.200 0.269 0.000 0.814 83 S HN 0.647 nan 8.310 nan 0.000 0.477 84 S N 1.636 117.235 115.700 -0.168 0.000 2.355 84 S HA -0.040 4.430 4.470 -0.001 0.000 0.222 84 S C 1.924 176.396 174.600 -0.214 0.000 1.031 84 S CA 0.896 58.971 58.200 -0.208 0.000 0.993 84 S CB -0.197 62.854 63.200 -0.247 0.000 0.859 84 S HN 0.425 nan 8.310 nan 0.000 0.453 85 R N 0.260 120.618 120.500 -0.236 0.000 2.083 85 R HA -0.141 4.198 4.340 -0.001 0.000 0.237 85 R C 2.741 178.907 176.300 -0.223 0.000 1.137 85 R CA 1.532 57.486 56.100 -0.244 0.000 0.951 85 R CB -0.996 29.120 30.300 -0.306 0.000 0.851 85 R HN 0.511 nan 8.270 nan 0.000 0.434 86 C N 0.322 119.499 119.300 -0.206 0.000 2.413 86 C HA -0.088 4.371 4.460 -0.001 0.000 0.277 86 C C 2.599 177.518 174.990 -0.119 0.000 1.228 86 C CA 0.905 59.819 59.018 -0.172 0.000 1.731 86 C CB -0.725 26.948 27.740 -0.112 0.000 2.042 86 C HN 0.310 nan 8.230 nan 0.000 0.468 87 V N 1.314 121.169 119.914 -0.099 0.000 2.453 87 V HA -0.109 4.011 4.120 -0.001 0.000 0.247 87 V C 2.302 178.261 176.094 -0.225 0.000 1.048 87 V CA 2.284 64.506 62.300 -0.131 0.000 1.049 87 V CB -0.806 30.930 31.823 -0.145 0.000 0.672 87 V HN 0.503 nan 8.190 nan 0.000 0.457 88 D N 0.379 120.630 120.400 -0.249 0.000 2.116 88 D HA -0.227 4.413 4.640 -0.001 0.000 0.193 88 D C 1.938 178.139 176.300 -0.164 0.000 0.998 88 D CA 1.941 55.794 54.000 -0.247 0.000 0.836 88 D CB -0.338 40.335 40.800 -0.212 0.000 0.951 88 D HN 0.492 nan 8.370 nan 0.000 0.449 89 D N 0.104 120.418 120.400 -0.142 0.000 2.117 89 D HA -0.081 4.559 4.640 -0.001 0.000 0.197 89 D C 1.915 178.174 176.300 -0.069 0.000 0.987 89 D CA 1.630 55.568 54.000 -0.102 0.000 0.829 89 D CB -0.166 40.564 40.800 -0.117 0.000 0.961 89 D HN 0.106 nan 8.370 nan 0.000 0.460 90 A N -0.004 122.774 122.820 -0.070 0.000 1.972 90 A HA -0.097 4.223 4.320 -0.001 0.000 0.219 90 A C 2.279 179.847 177.584 -0.025 0.000 1.169 90 A CA 1.972 53.986 52.037 -0.037 0.000 0.635 90 A CB -0.677 18.309 19.000 -0.024 0.000 0.810 90 A HN 0.383 nan 8.150 nan 0.000 0.446 91 V N -5.166 114.716 119.914 -0.052 0.000 3.647 91 V HA 0.220 4.340 4.120 -0.001 0.000 0.279 91 V C 0.249 176.362 176.094 0.032 0.000 1.314 91 V CA 0.336 62.642 62.300 0.010 0.000 1.125 91 V CB -0.532 31.288 31.823 -0.006 0.000 0.907 91 V HN 0.389 nan 8.190 nan 0.000 0.434 92 K N -0.319 120.076 120.400 -0.008 0.000 3.125 92 K HA -0.138 4.182 4.320 -0.001 0.000 0.268 92 K C -0.288 176.322 176.600 0.017 0.000 1.078 92 K CA 0.959 57.248 56.287 0.003 0.000 0.775 92 K CB -2.225 30.287 32.500 0.020 0.000 1.253 92 K HN 0.603 nan 8.250 nan 0.000 0.486 93 V N 0.519 120.427 119.914 -0.009 0.000 2.472 93 V HA 0.419 4.539 4.120 -0.001 0.000 0.290 93 V C -0.071 176.012 176.094 -0.017 0.000 1.037 93 V CA -0.454 61.854 62.300 0.014 0.000 0.908 93 V CB 1.966 33.802 31.823 0.023 0.000 0.985 93 V HN 0.394 nan 8.190 nan 0.000 0.454 94 S N 6.844 122.547 115.700 0.005 0.000 2.422 94 S HA 0.497 4.967 4.470 -0.001 0.000 0.308 94 S C -0.146 174.452 174.600 -0.003 0.000 1.097 94 S CA -0.813 57.383 58.200 -0.007 0.000 1.099 94 S CB 0.238 63.440 63.200 0.004 0.000 0.976 94 S HN 0.743 nan 8.310 nan 0.000 0.471 95 I N 3.226 123.781 120.570 -0.025 0.000 2.754 95 I HA 0.448 4.617 4.170 -0.001 0.000 0.285 95 I C -2.420 173.695 176.117 -0.004 0.000 1.166 95 I CA -1.887 59.401 61.300 -0.021 0.000 1.417 95 I CB -0.124 37.846 38.000 -0.049 0.000 1.382 95 I HN 0.325 nan 8.210 nan 0.000 0.588 96 P HA 0.088 nan 4.420 nan 0.000 0.269 96 P C 0.449 177.752 177.300 0.005 0.000 1.209 96 P CA -0.056 63.053 63.100 0.015 0.000 0.776 96 P CB 1.012 32.729 31.700 0.028 0.000 0.876 97 A N 3.096 125.922 122.820 0.009 0.000 1.915 97 A HA -0.307 4.012 4.320 -0.001 0.000 0.220 97 A C 1.985 179.569 177.584 0.000 0.000 1.198 97 A CA 2.156 54.195 52.037 0.005 0.000 0.647 97 A CB -1.320 17.687 19.000 0.012 0.000 0.825 97 A HN 0.550 nan 8.150 nan 0.000 0.456 98 N N 0.088 118.792 118.700 0.007 0.000 2.166 98 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 98 N C 1.864 177.369 175.510 -0.008 0.000 1.019 98 N CA 1.602 54.653 53.050 0.002 0.000 0.856 98 N CB -0.605 37.890 38.487 0.013 0.000 0.993 98 N HN 0.515 nan 8.380 nan 0.000 0.426 99 A N 1.230 124.044 122.820 -0.010 0.000 1.898 99 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 99 A C 2.258 179.838 177.584 -0.006 0.000 1.181 99 A CA 1.252 53.282 52.037 -0.010 0.000 0.620 99 A CB -0.489 18.494 19.000 -0.027 0.000 0.819 99 A HN 0.253 nan 8.150 nan 0.000 0.442 100 R N -0.701 119.788 120.500 -0.018 0.000 2.094 100 R HA -0.182 4.158 4.340 -0.001 0.000 0.239 100 R C 2.161 178.437 176.300 -0.040 0.000 1.137 100 R CA 2.223 58.305 56.100 -0.029 0.000 0.943 100 R CB -0.379 29.902 30.300 -0.030 0.000 0.850 100 R HN 0.548 nan 8.270 nan 0.000 0.433 101 M N -0.074 119.500 119.600 -0.043 0.000 2.117 101 M HA -0.201 4.279 4.480 -0.001 0.000 0.262 101 M C 2.546 178.813 176.300 -0.055 0.000 1.065 101 M CA 1.846 57.105 55.300 -0.068 0.000 1.114 101 M CB -0.236 32.339 32.600 -0.041 0.000 1.361 101 M HN 0.294 nan 8.290 nan 0.000 0.408 102 M N -0.157 119.430 119.600 -0.021 0.000 2.132 102 M HA -0.196 4.284 4.480 -0.001 0.000 0.263 102 M C 2.215 178.562 176.300 0.079 0.000 1.065 102 M CA 1.772 57.064 55.300 -0.013 0.000 1.122 102 M CB -0.072 32.540 32.600 0.020 0.000 1.365 102 M HN 0.104 nan 8.290 nan 0.000 0.411 103 R N -0.019 120.572 120.500 0.151 0.000 2.083 103 R HA -0.140 4.200 4.340 -0.001 0.000 0.237 103 R C 1.801 178.209 176.300 0.179 0.000 1.137 103 R CA 1.773 58.025 56.100 0.253 0.000 0.951 103 R CB -0.535 29.848 30.300 0.138 0.000 0.851 103 R HN 0.449 nan 8.270 nan 0.000 0.434 104 N N 0.681 119.398 118.700 0.029 0.000 2.188 104 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 104 N C 1.787 177.304 175.510 0.011 0.000 1.018 104 N CA 0.967 53.994 53.050 -0.039 0.000 0.858 104 N CB -0.175 38.206 38.487 -0.177 0.000 0.989 104 N HN 0.165 nan 8.380 nan 0.000 0.426 105 L N 0.083 121.295 121.223 -0.019 0.000 2.083 105 L HA -0.105 4.234 4.340 -0.001 0.000 0.209 105 L C 2.021 178.965 176.870 0.123 0.000 1.083 105 L CA 0.666 55.551 54.840 0.075 0.000 0.752 105 L CB -0.200 41.891 42.059 0.053 0.000 0.899 105 L HN -0.009 nan 8.230 nan 0.000 0.433 106 V N -0.753 119.150 119.914 -0.018 0.000 2.427 106 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 106 V C 2.395 178.475 176.094 -0.023 0.000 1.051 106 V CA 1.675 63.867 62.300 -0.180 0.000 1.048 106 V CB -0.349 31.112 31.823 -0.604 0.000 0.666 106 V HN 0.426 nan 8.190 nan 0.000 0.456 107 M N 1.166 120.899 119.600 0.222 0.000 2.080 107 M HA -0.146 4.334 4.480 -0.001 0.000 0.260 107 M C 2.102 178.638 176.300 0.392 0.000 1.068 107 M CA 2.349 57.879 55.300 0.382 0.000 1.109 107 M CB -0.841 31.878 32.600 0.199 0.000 1.342 107 M HN 0.255 nan 8.290 nan 0.000 0.405 108 A N -1.129 121.927 122.820 0.393 0.000 1.883 108 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 108 A C 2.269 180.015 177.584 0.270 0.000 1.186 108 A CA 2.427 54.658 52.037 0.322 0.000 0.624 108 A CB -1.278 17.882 19.000 0.267 0.000 0.822 108 A HN 0.613 nan 8.150 nan 0.000 0.444 109 S N -0.721 115.114 115.700 0.225 0.000 2.383 109 S HA -0.207 4.263 4.470 -0.001 0.000 0.229 109 S C 2.129 176.852 174.600 0.206 0.000 1.030 109 S CA 1.657 59.956 58.200 0.166 0.000 1.002 109 S CB -0.302 62.980 63.200 0.137 0.000 0.829 109 S HN 0.695 nan 8.310 nan 0.000 0.467 110 Q N 0.428 120.374 119.800 0.243 0.000 2.079 110 Q HA -0.104 4.236 4.340 -0.001 0.000 0.200 110 Q C 1.625 177.798 176.000 0.287 0.000 0.974 110 Q CA 1.638 57.602 55.803 0.268 0.000 0.840 110 Q CB -0.642 28.286 28.738 0.317 0.000 0.898 110 Q HN 0.562 nan 8.270 nan 0.000 0.430 111 Y N 0.284 120.649 120.300 0.109 0.000 2.081 111 Y HA -0.237 4.313 4.550 -0.001 0.000 0.280 111 Y C 2.055 177.928 175.900 -0.045 0.000 1.163 111 Y CA 1.652 59.714 58.100 -0.064 0.000 1.135 111 Y CB -0.458 38.049 38.460 0.079 0.000 0.970 111 Y HN 0.120 nan 8.280 nan 0.000 0.498 112 L N -1.362 120.027 121.223 0.276 0.000 2.017 112 L HA -0.282 4.058 4.340 -0.001 0.000 0.208 112 L C 2.597 179.603 176.870 0.226 0.000 1.073 112 L CA 1.867 56.853 54.840 0.244 0.000 0.745 112 L CB -0.853 41.322 42.059 0.194 0.000 0.894 112 L HN 0.383 nan 8.230 nan 0.000 0.432 113 H N -0.023 119.128 119.070 0.134 0.000 2.321 113 H HA -0.203 4.353 4.556 -0.000 0.000 0.300 113 H C 1.842 177.252 175.328 0.138 0.000 1.087 113 H CA 1.983 58.101 56.048 0.118 0.000 1.319 113 H CB 0.161 29.978 29.762 0.092 0.000 1.379 113 H HN 0.316 nan 8.280 nan 0.000 0.501 114 D N -0.231 120.299 120.400 0.216 0.000 2.084 114 D HA -0.144 4.496 4.640 -0.001 0.000 0.196 114 D C 2.091 178.527 176.300 0.227 0.000 0.985 114 D CA 0.913 55.028 54.000 0.193 0.000 0.826 114 D CB -0.177 40.696 40.800 0.123 0.000 0.978 114 D HN 0.433 nan 8.370 nan 0.000 0.456 115 H N 0.504 119.655 119.070 0.134 0.000 2.387 115 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 115 H C 2.344 177.683 175.328 0.017 0.000 1.099 115 H CA 0.495 56.631 56.048 0.146 0.000 1.315 115 H CB -0.609 29.302 29.762 0.248 0.000 1.380 115 H HN 0.193 nan 8.280 nan 0.000 0.513 116 L N -0.493 120.794 121.223 0.107 0.000 1.994 116 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 116 L C 2.511 179.376 176.870 -0.008 0.000 1.071 116 L CA 1.000 55.826 54.840 -0.024 0.000 0.745 116 L CB -0.415 41.687 42.059 0.072 0.000 0.892 116 L HN 0.101 nan 8.230 nan 0.000 0.431 117 V N -0.795 119.103 119.914 -0.026 0.000 2.392 117 V HA -0.353 3.767 4.120 -0.001 0.000 0.249 117 V C 2.466 178.586 176.094 0.043 0.000 1.059 117 V CA 1.968 64.293 62.300 0.042 0.000 1.051 117 V CB -0.907 30.919 31.823 0.005 0.000 0.658 117 V HN 0.553 nan 8.190 nan 0.000 0.455 118 H N -0.803 118.284 119.070 0.029 0.000 2.293 118 H HA -0.211 4.345 4.556 -0.001 0.000 0.300 118 H C 2.308 177.645 175.328 0.016 0.000 1.082 118 H CA 2.393 58.468 56.048 0.046 0.000 1.308 118 H CB -0.174 29.647 29.762 0.098 0.000 1.375 118 H HN 0.419 nan 8.280 nan 0.000 0.495 119 F N 0.906 120.752 119.950 -0.173 0.000 2.046 119 F HA -0.277 4.250 4.527 -0.001 0.000 0.297 119 F C 2.082 177.645 175.800 -0.396 0.000 1.123 119 F CA 1.781 59.591 58.000 -0.316 0.000 1.199 119 F CB -0.904 37.736 39.000 -0.600 0.000 0.972 119 F HN 0.087 nan 8.300 nan 0.000 0.474 120 Y N -0.461 119.613 120.300 -0.378 0.000 2.184 120 Y HA -0.149 4.401 4.550 -0.001 0.000 0.290 120 Y C 2.582 178.234 175.900 -0.413 0.000 1.129 120 Y CA 2.336 60.139 58.100 -0.496 0.000 1.144 120 Y CB -0.989 37.086 38.460 -0.642 0.000 0.995 120 Y HN 0.226 nan 8.280 nan 0.000 0.513 121 H N -1.899 117.139 119.070 -0.053 0.000 2.595 121 H HA 0.204 4.760 4.556 -0.001 0.000 0.265 121 H C 1.470 176.764 175.328 -0.057 0.000 0.953 121 H CA 0.517 56.512 56.048 -0.088 0.000 1.197 121 H CB 0.351 29.993 29.762 -0.200 0.000 1.438 121 H HN 0.210 nan 8.280 nan 0.000 0.531 122 L N -1.523 119.624 121.223 -0.127 0.000 2.526 122 L HA 0.110 4.449 4.340 -0.001 0.000 0.210 122 L C 1.908 178.510 176.870 -0.446 0.000 1.048 122 L CA 0.514 55.178 54.840 -0.292 0.000 0.852 122 L CB -0.038 41.827 42.059 -0.324 0.000 1.128 122 L HN 0.331 nan 8.230 nan 0.000 0.482 123 H N -0.036 118.669 119.070 -0.610 0.000 2.451 123 H HA 0.127 4.683 4.556 -0.001 0.000 0.294 123 H C 2.220 177.431 175.328 -0.196 0.000 1.028 123 H CA 0.742 56.540 56.048 -0.418 0.000 1.349 123 H CB 0.692 30.247 29.762 -0.345 0.000 1.444 123 H HN 0.259 nan 8.280 nan 0.000 0.538 124 A N 1.008 123.666 122.820 -0.270 0.000 1.972 124 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 124 A C 2.187 179.771 177.584 -0.001 0.000 1.169 124 A CA 0.833 52.703 52.037 -0.277 0.000 0.635 124 A CB -0.681 18.043 19.000 -0.460 0.000 0.810 124 A HN 0.402 nan 8.150 nan 0.000 0.446 125 L N -0.278 120.981 121.223 0.059 0.000 2.456 125 L HA -0.135 4.205 4.340 -0.001 0.000 0.224 125 L C 1.148 178.142 176.870 0.206 0.000 1.148 125 L CA 0.662 55.610 54.840 0.180 0.000 0.825 125 L CB -0.458 41.755 42.059 0.257 0.000 0.937 125 L HN 0.290 nan 8.230 nan 0.000 0.450 126 D N -1.065 119.302 120.400 -0.054 0.000 2.317 126 D HA -0.117 4.522 4.640 -0.001 0.000 0.211 126 D C 1.485 177.345 176.300 -0.734 0.000 0.966 126 D CA 1.056 54.813 54.000 -0.404 0.000 0.876 126 D CB 0.077 40.428 40.800 -0.750 0.000 0.927 126 D HN 0.428 nan 8.370 nan 0.000 0.519 127 W N -0.166 121.005 121.300 -0.215 0.000 2.835 127 W HA 0.240 4.900 4.660 -0.001 0.000 0.278 127 W C 0.107 176.657 176.519 0.052 0.000 1.075 127 W CA -0.159 56.956 57.345 -0.384 0.000 1.439 127 W CB 0.617 29.707 29.460 -0.616 0.000 0.927 127 W HN -0.370 nan 8.180 nan 0.000 0.604 128 V N 2.272 122.339 119.914 0.254 0.000 2.398 128 V HA 0.176 4.296 4.120 -0.001 0.000 0.286 128 V C -0.639 175.200 176.094 -0.424 0.000 1.026 128 V CA -0.575 61.727 62.300 0.002 0.000 0.868 128 V CB 1.493 33.272 31.823 -0.072 0.000 0.982 128 V HN -0.160 nan 8.190 nan 0.000 0.443 129 D N 4.311 124.329 120.400 -0.637 0.000 2.441 129 D HA 0.188 4.827 4.640 -0.001 0.000 0.221 129 D C 0.929 176.565 176.300 -1.107 0.000 1.156 129 D CA -0.118 53.058 54.000 -1.375 0.000 0.896 129 D CB 1.604 41.912 40.800 -0.820 0.000 1.028 129 D HN 0.220 nan 8.370 nan 0.000 0.509 130 V N 3.331 122.400 119.914 -1.408 0.000 2.469 130 V HA -0.262 3.858 4.120 -0.001 0.000 0.251 130 V C 2.479 178.274 176.094 -0.497 0.000 1.064 130 V CA 2.500 64.339 62.300 -0.768 0.000 1.066 130 V CB -0.799 30.527 31.823 -0.828 0.000 0.667 130 V HN 0.752 nan 8.190 nan 0.000 0.461 131 T N -2.069 112.240 114.554 -0.408 0.000 3.067 131 T HA 0.106 4.456 4.350 -0.001 0.000 0.261 131 T C 1.769 176.369 174.700 -0.166 0.000 1.110 131 T CA 0.931 62.922 62.100 -0.181 0.000 1.113 131 T CB -0.111 68.743 68.868 -0.022 0.000 0.917 131 T HN 0.434 nan 8.240 nan 0.000 0.499 132 A N 1.267 123.947 122.820 -0.235 0.000 2.119 132 A HA 0.562 4.882 4.320 -0.001 0.000 0.217 132 A C 2.609 180.103 177.584 -0.151 0.000 1.153 132 A CA 1.050 52.986 52.037 -0.168 0.000 0.692 132 A CB -0.981 17.908 19.000 -0.185 0.000 0.799 132 A HN 0.669 nan 8.150 nan 0.000 0.458 133 A N -0.131 122.576 122.820 -0.187 0.000 2.067 133 A HA 0.066 4.386 4.320 -0.001 0.000 0.219 133 A C 1.900 179.420 177.584 -0.106 0.000 1.158 133 A CA 1.028 52.974 52.037 -0.151 0.000 0.661 133 A CB -0.483 18.409 19.000 -0.180 0.000 0.801 133 A HN 0.479 nan 8.150 nan 0.000 0.452 134 L N -1.110 120.054 121.223 -0.097 0.000 2.456 134 L HA -0.097 4.242 4.340 -0.001 0.000 0.224 134 L C 2.006 178.847 176.870 -0.048 0.000 1.148 134 L CA 1.022 55.826 54.840 -0.061 0.000 0.825 134 L CB -0.259 41.771 42.059 -0.047 0.000 0.937 134 L HN 0.356 nan 8.230 nan 0.000 0.450 135 K N 0.146 120.513 120.400 -0.054 0.000 2.379 135 K HA 0.201 4.521 4.320 -0.001 0.000 0.194 135 K C 0.978 177.556 176.600 -0.038 0.000 1.031 135 K CA -0.006 56.256 56.287 -0.040 0.000 1.037 135 K CB 0.293 32.770 32.500 -0.040 0.000 0.824 135 K HN 0.170 nan 8.250 nan 0.000 0.516 136 A N 1.858 124.650 122.820 -0.047 0.000 2.406 136 A HA 0.002 4.321 4.320 -0.001 0.000 0.243 136 A C -0.255 177.311 177.584 -0.030 0.000 1.082 136 A CA -0.176 51.836 52.037 -0.042 0.000 0.786 136 A CB 0.232 19.200 19.000 -0.054 0.000 1.029 136 A HN 0.089 nan 8.150 nan 0.000 0.495 137 D N 1.055 121.441 120.400 -0.024 0.000 2.316 137 D HA 0.320 4.959 4.640 -0.001 0.000 0.245 137 D C -1.768 174.522 176.300 -0.018 0.000 1.171 137 D CA -1.717 52.273 54.000 -0.017 0.000 0.856 137 D CB 1.337 42.130 40.800 -0.011 0.000 1.090 137 D HN 0.089 nan 8.370 nan 0.000 0.476 138 P HA -0.071 nan 4.420 nan 0.000 0.220 138 P C 0.625 177.919 177.300 -0.010 0.000 1.148 138 P CA 0.758 63.849 63.100 -0.016 0.000 0.803 138 P CB 0.477 32.169 31.700 -0.012 0.000 0.782 139 N N -0.757 117.939 118.700 -0.007 0.000 2.251 139 N HA -0.061 4.679 4.740 -0.001 0.000 0.181 139 N C 1.571 177.080 175.510 -0.002 0.000 1.019 139 N CA 0.917 53.965 53.050 -0.003 0.000 0.862 139 N CB -0.577 37.909 38.487 -0.002 0.000 0.992 139 N HN 0.135 nan 8.380 nan 0.000 0.429 140 K N 0.957 121.356 120.400 -0.003 0.000 2.002 140 K HA 0.011 4.331 4.320 -0.001 0.000 0.209 140 K C 1.923 178.523 176.600 -0.001 0.000 1.048 140 K CA 1.229 57.515 56.287 -0.000 0.000 0.930 140 K CB -0.163 32.336 32.500 -0.002 0.000 0.714 140 K HN 0.097 nan 8.250 nan 0.000 0.438 141 A N 1.048 123.862 122.820 -0.009 0.000 1.927 141 A HA -0.237 4.082 4.320 -0.001 0.000 0.220 141 A C 2.290 179.870 177.584 -0.006 0.000 1.185 141 A CA 2.264 54.292 52.037 -0.014 0.000 0.639 141 A CB -0.901 18.081 19.000 -0.030 0.000 0.820 141 A HN 0.513 nan 8.150 nan 0.000 0.451 142 A N -0.460 122.358 122.820 -0.002 0.000 1.873 142 A HA -0.131 4.189 4.320 -0.001 0.000 0.215 142 A C 2.125 179.716 177.584 0.011 0.000 1.186 142 A CA 1.671 53.711 52.037 0.005 0.000 0.616 142 A CB -0.423 18.580 19.000 0.005 0.000 0.823 142 A HN 0.533 nan 8.150 nan 0.000 0.442 143 K N -0.831 119.575 120.400 0.009 0.000 2.009 143 K HA -0.167 4.153 4.320 -0.001 0.000 0.210 143 K C 1.926 178.535 176.600 0.016 0.000 1.049 143 K CA 1.443 57.737 56.287 0.011 0.000 0.929 143 K CB -0.584 31.922 32.500 0.009 0.000 0.714 143 K HN 0.338 nan 8.250 nan 0.000 0.440 144 L N 1.371 122.605 121.223 0.019 0.000 1.997 144 L HA -0.231 4.109 4.340 -0.001 0.000 0.216 144 L C 2.341 179.231 176.870 0.032 0.000 1.074 144 L CA 2.093 56.950 54.840 0.028 0.000 0.763 144 L CB -0.905 41.174 42.059 0.034 0.000 0.890 144 L HN 0.208 nan 8.230 nan 0.000 0.434 145 A N -1.041 121.798 122.820 0.032 0.000 1.972 145 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 145 A C 2.133 179.739 177.584 0.037 0.000 1.169 145 A CA 1.405 53.470 52.037 0.046 0.000 0.635 145 A CB -0.974 18.058 19.000 0.055 0.000 0.810 145 A HN 0.506 nan 8.150 nan 0.000 0.446 146 A N -0.197 122.638 122.820 0.026 0.000 2.265 146 A HA 0.308 4.628 4.320 -0.001 0.000 0.213 146 A C 1.727 179.318 177.584 0.011 0.000 1.255 146 A CA 1.301 53.348 52.037 0.017 0.000 0.862 146 A CB -0.573 18.435 19.000 0.014 0.000 0.852 146 A HN 0.975 nan 8.150 nan 0.000 0.484 147 S N -1.122 114.586 115.700 0.012 0.000 2.653 147 S HA 0.098 4.568 4.470 -0.001 0.000 0.259 147 S C 0.979 175.581 174.600 0.002 0.000 1.076 147 S CA 0.480 58.683 58.200 0.005 0.000 1.051 147 S CB -0.748 62.457 63.200 0.007 0.000 0.994 147 S HN 0.760 nan 8.310 nan 0.000 0.552 148 I N -0.373 120.204 120.570 0.011 0.000 3.914 148 I HA 0.842 5.011 4.170 -0.001 0.000 0.333 148 I C 0.097 176.214 176.117 -0.001 0.000 1.449 148 I CA -0.516 60.789 61.300 0.007 0.000 1.135 148 I CB 0.651 38.668 38.000 0.028 0.000 1.073 148 I HN 0.372 nan 8.210 nan 0.000 0.401 149 A N 0.899 123.717 122.820 -0.004 0.000 2.590 149 A HA 0.658 4.978 4.320 -0.001 0.000 0.294 149 A C -2.961 174.614 177.584 -0.015 0.000 1.046 149 A CA -1.000 51.029 52.037 -0.013 0.000 0.684 149 A CB 0.207 19.214 19.000 0.011 0.000 1.279 149 A HN 0.008 nan 8.150 nan 0.000 0.415 150 P HA 0.296 nan 4.420 nan 0.000 0.258 150 P C 0.415 177.711 177.300 -0.008 0.000 1.172 150 P CA 0.898 63.984 63.100 -0.024 0.000 0.762 150 P CB 0.195 31.874 31.700 -0.035 0.000 0.764 151 A N 5.145 127.964 122.820 -0.002 0.000 2.587 151 A HA 0.212 4.532 4.320 -0.001 0.000 0.235 151 A C 0.803 178.393 177.584 0.011 0.000 1.044 151 A CA 0.440 52.482 52.037 0.008 0.000 0.754 151 A CB -0.283 18.719 19.000 0.005 0.000 0.968 151 A HN 0.727 nan 8.150 nan 0.000 0.509 152 R N 1.908 122.422 120.500 0.023 0.000 2.629 152 R HA 0.483 4.822 4.340 -0.001 0.000 0.266 152 R C -2.872 173.450 176.300 0.036 0.000 1.051 152 R CA -1.375 54.742 56.100 0.029 0.000 0.895 152 R CB 0.960 31.281 30.300 0.035 0.000 1.246 152 R HN 0.358 nan 8.270 nan 0.000 0.459 153 P HA -0.054 nan 4.420 nan 0.000 0.223 153 P C 1.151 178.474 177.300 0.038 0.000 1.151 153 P CA 1.466 64.583 63.100 0.028 0.000 0.787 153 P CB 0.021 31.733 31.700 0.020 0.000 0.788 154 G N 0.307 109.141 108.800 0.055 0.000 2.559 154 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.216 154 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.216 154 G C 1.133 176.092 174.900 0.098 0.000 1.126 154 G CA 0.257 45.404 45.100 0.077 0.000 0.778 154 G HN 0.254 nan 8.290 nan 0.000 0.543 155 N N 0.309 119.064 118.700 0.091 0.000 2.203 155 N HA 0.090 4.830 4.740 -0.001 0.000 0.207 155 N C 0.858 176.392 175.510 0.040 0.000 1.130 155 N CA 0.067 53.165 53.050 0.081 0.000 0.861 155 N CB 0.693 39.245 38.487 0.110 0.000 1.005 155 N HN 0.308 nan 8.380 nan 0.000 0.507 156 S N -0.365 115.355 115.700 0.032 0.000 2.573 156 S HA 0.357 4.826 4.470 -0.001 0.000 0.277 156 S C 1.625 176.231 174.600 0.011 0.000 1.346 156 S CA -0.150 58.061 58.200 0.019 0.000 1.034 156 S CB 1.473 64.683 63.200 0.016 0.000 0.879 156 S HN 0.224 nan 8.310 nan 0.000 0.528 157 A N 2.606 125.430 122.820 0.006 0.000 1.917 157 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 157 A C 2.185 179.770 177.584 0.001 0.000 1.182 157 A CA 1.881 53.919 52.037 0.001 0.000 0.633 157 A CB -0.929 18.072 19.000 0.001 0.000 0.819 157 A HN 0.945 nan 8.150 nan 0.000 0.448 158 K N -0.233 120.169 120.400 0.004 0.000 2.032 158 K HA -0.138 4.181 4.320 -0.001 0.000 0.209 158 K C 2.193 178.795 176.600 0.004 0.000 1.048 158 K CA 1.441 57.730 56.287 0.004 0.000 0.927 158 K CB -0.395 32.108 32.500 0.005 0.000 0.712 158 K HN 0.366 nan 8.250 nan 0.000 0.441 159 A N 1.607 124.431 122.820 0.007 0.000 1.877 159 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 159 A C 2.259 179.844 177.584 0.002 0.000 1.186 159 A CA 1.383 53.424 52.037 0.008 0.000 0.620 159 A CB -0.652 18.358 19.000 0.018 0.000 0.822 159 A HN 0.336 nan 8.150 nan 0.000 0.443 160 L N -0.854 120.368 121.223 -0.002 0.000 2.131 160 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 160 L C 2.618 179.478 176.870 -0.016 0.000 1.092 160 L CA 1.731 56.562 54.840 -0.015 0.000 0.759 160 L CB -0.371 41.675 42.059 -0.023 0.000 0.903 160 L HN 0.411 nan 8.230 nan 0.000 0.435 161 K N 0.160 120.555 120.400 -0.009 0.000 2.097 161 K HA -0.152 4.167 4.320 -0.001 0.000 0.205 161 K C 2.190 178.789 176.600 -0.003 0.000 1.050 161 K CA 1.175 57.458 56.287 -0.007 0.000 0.938 161 K CB -0.056 32.443 32.500 -0.003 0.000 0.718 161 K HN 0.280 nan 8.250 nan 0.000 0.442 162 A N 0.560 123.380 122.820 -0.000 0.000 1.902 162 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 162 A C 2.200 179.786 177.584 0.004 0.000 1.181 162 A CA 1.490 53.530 52.037 0.004 0.000 0.623 162 A CB -0.592 18.410 19.000 0.004 0.000 0.818 162 A HN 0.145 nan 8.150 nan 0.000 0.443 163 V N -0.194 119.719 119.914 -0.002 0.000 2.295 163 V HA -0.329 3.790 4.120 -0.001 0.000 0.246 163 V C 2.714 178.803 176.094 -0.008 0.000 1.049 163 V CA 2.382 64.679 62.300 -0.005 0.000 1.024 163 V CB -0.821 30.993 31.823 -0.015 0.000 0.648 163 V HN 0.740 nan 8.190 nan 0.000 0.447 164 Q N -0.397 119.395 119.800 -0.015 0.000 2.050 164 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 164 Q C 2.067 178.068 176.000 0.002 0.000 0.980 164 Q CA 2.069 57.862 55.803 -0.017 0.000 0.840 164 Q CB -0.133 28.592 28.738 -0.022 0.000 0.898 164 Q HN 0.651 nan 8.270 nan 0.000 0.424 165 D N 0.214 120.619 120.400 0.008 0.000 2.104 165 D HA -0.184 4.455 4.640 -0.001 0.000 0.194 165 D C 1.667 177.990 176.300 0.039 0.000 0.994 165 D CA 1.142 55.154 54.000 0.021 0.000 0.830 165 D CB -0.155 40.656 40.800 0.018 0.000 0.959 165 D HN 0.231 nan 8.370 nan 0.000 0.452 166 K N 0.151 120.574 120.400 0.038 0.000 2.057 166 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 166 K C 2.175 178.832 176.600 0.095 0.000 1.049 166 K CA 0.543 56.866 56.287 0.059 0.000 0.931 166 K CB -0.157 32.368 32.500 0.040 0.000 0.714 166 K HN -0.012 nan 8.250 nan 0.000 0.440 167 L N 1.496 122.759 121.223 0.067 0.000 2.093 167 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 167 L C 2.166 179.119 176.870 0.139 0.000 1.085 167 L CA 1.677 56.572 54.840 0.092 0.000 0.755 167 L CB -0.239 41.821 42.059 0.002 0.000 0.904 167 L HN 0.048 nan 8.230 nan 0.000 0.435 168 K N -1.067 119.381 120.400 0.080 0.000 2.025 168 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 168 K C 2.092 178.739 176.600 0.080 0.000 1.049 168 K CA 1.192 57.517 56.287 0.063 0.000 0.933 168 K CB -0.250 32.269 32.500 0.032 0.000 0.714 168 K HN 0.414 nan 8.250 nan 0.000 0.438 169 A N 0.767 123.642 122.820 0.092 0.000 1.892 169 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 169 A C 2.026 179.682 177.584 0.119 0.000 1.188 169 A CA 1.685 53.776 52.037 0.091 0.000 0.631 169 A CB -0.896 18.161 19.000 0.096 0.000 0.822 169 A HN 0.481 nan 8.150 nan 0.000 0.447 170 F N 0.473 120.446 119.950 0.038 0.000 2.102 170 F HA -0.139 4.388 4.527 -0.001 0.000 0.298 170 F C 2.275 178.111 175.800 0.060 0.000 1.105 170 F CA 2.025 60.060 58.000 0.059 0.000 1.239 170 F CB -0.321 38.734 39.000 0.092 0.000 0.991 170 F HN 0.026 nan 8.300 nan 0.000 0.474 171 V N 0.296 120.266 119.914 0.094 0.000 2.453 171 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 171 V C 1.978 178.031 176.094 -0.069 0.000 1.048 171 V CA 2.126 64.423 62.300 -0.005 0.000 1.049 171 V CB -0.612 31.262 31.823 0.084 0.000 0.672 171 V HN 0.320 nan 8.190 nan 0.000 0.457 172 E N 0.590 120.771 120.200 -0.032 0.000 2.418 172 E HA -0.125 4.225 4.350 -0.001 0.000 0.197 172 E C 2.218 178.781 176.600 -0.062 0.000 1.026 172 E CA 1.034 57.413 56.400 -0.035 0.000 0.862 172 E CB -0.173 29.522 29.700 -0.009 0.000 0.799 172 E HN 0.739 nan 8.360 nan 0.000 0.518 173 S N -0.136 115.500 115.700 -0.106 0.000 2.400 173 S HA -0.114 4.356 4.470 -0.001 0.000 0.232 173 S C 1.941 176.468 174.600 -0.122 0.000 1.025 173 S CA 1.024 59.152 58.200 -0.120 0.000 0.993 173 S CB -0.367 62.717 63.200 -0.194 0.000 0.808 173 S HN 0.424 nan 8.310 nan 0.000 0.478 174 G N 0.263 108.976 108.800 -0.146 0.000 2.225 174 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.254 174 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.254 174 G C -0.035 174.779 174.900 -0.143 0.000 0.988 174 G CA 0.247 45.279 45.100 -0.114 0.000 0.625 174 G HN 0.633 nan 8.290 nan 0.000 0.527 175 Q N 0.251 119.913 119.800 -0.230 0.000 2.466 175 Q HA 0.588 4.927 4.340 -0.001 0.000 0.242 175 Q C 1.316 177.071 176.000 -0.409 0.000 1.046 175 Q CA -0.531 55.134 55.803 -0.230 0.000 0.841 175 Q CB 0.873 29.511 28.738 -0.167 0.000 1.193 175 Q HN 0.434 nan 8.270 nan 0.000 0.508 176 L N 1.203 122.302 121.223 -0.206 0.000 2.552 176 L HA -0.003 4.337 4.340 -0.001 0.000 0.227 176 L C 1.403 178.419 176.870 0.243 0.000 1.146 176 L CA 0.552 55.363 54.840 -0.049 0.000 0.858 176 L CB -0.664 41.469 42.059 0.123 0.000 0.969 176 L HN 0.946 nan 8.230 nan 0.000 0.451 177 G N 2.421 111.293 108.800 0.120 0.000 2.665 177 G HA2 -0.443 3.517 3.960 -0.001 0.000 0.326 177 G HA3 -0.443 3.517 3.960 -0.001 0.000 0.326 177 G C 0.906 175.815 174.900 0.015 0.000 1.231 177 G CA 0.799 45.977 45.100 0.130 0.000 0.992 177 G HN 0.482 nan 8.290 nan 0.000 0.549 178 I N -1.936 118.544 120.570 -0.150 0.000 2.916 178 I HA 0.227 4.397 4.170 -0.001 0.000 0.267 178 I C 2.059 177.977 176.117 -0.331 0.000 1.263 178 I CA 1.646 62.757 61.300 -0.315 0.000 1.471 178 I CB -0.353 37.374 38.000 -0.455 0.000 1.089 178 I HN 0.175 nan 8.210 nan 0.000 0.468 179 F N 1.343 121.355 119.950 0.103 0.000 2.727 179 F HA 0.226 4.753 4.527 -0.000 0.000 0.302 179 F C 1.168 176.952 175.800 -0.027 0.000 1.097 179 F CA -0.462 57.558 58.000 0.033 0.000 1.330 179 F CB -0.948 38.135 39.000 0.139 0.000 1.084 179 F HN -0.153 nan 8.300 nan 0.000 0.578 180 T N 2.798 117.421 114.554 0.115 0.000 2.822 180 T HA -0.077 4.273 4.350 -0.001 0.000 0.288 180 T C 0.645 175.352 174.700 0.012 0.000 0.991 180 T CA 0.352 62.482 62.100 0.050 0.000 1.176 180 T CB -0.178 68.706 68.868 0.026 0.000 0.951 180 T HN 0.291 nan 8.240 nan 0.000 0.526 181 N N -0.404 118.300 118.700 0.007 0.000 2.741 181 N HA -0.175 4.565 4.740 -0.001 0.000 0.251 181 N C 0.210 175.710 175.510 -0.018 0.000 1.112 181 N CA 0.894 53.950 53.050 0.011 0.000 0.750 181 N CB -1.600 36.911 38.487 0.041 0.000 1.119 181 N HN 0.945 nan 8.380 nan 0.000 0.561 182 A N -0.126 122.600 122.820 -0.156 0.000 2.540 182 A HA 0.138 4.458 4.320 -0.001 0.000 0.239 182 A C 1.164 178.578 177.584 -0.283 0.000 1.061 182 A CA 0.023 51.814 52.037 -0.410 0.000 0.758 182 A CB 0.079 18.530 19.000 -0.914 0.000 0.991 182 A HN 0.231 nan 8.150 nan 0.000 0.502 183 Y N 1.949 122.057 120.300 -0.320 0.000 2.365 183 Y HA -0.222 4.327 4.550 -0.000 0.000 0.287 183 Y C 1.650 177.542 175.900 -0.013 0.000 1.162 183 Y CA 1.957 60.010 58.100 -0.079 0.000 1.260 183 Y CB -0.931 37.546 38.460 0.028 0.000 0.976 183 Y HN 0.845 nan 8.280 nan 0.000 0.548 184 F N -1.837 118.128 119.950 0.026 0.000 2.749 184 F HA 0.289 4.816 4.527 -0.001 0.000 0.300 184 F C 0.309 176.048 175.800 -0.103 0.000 1.103 184 F CA -1.064 56.783 58.000 -0.255 0.000 1.342 184 F CB -1.322 37.103 39.000 -0.959 0.000 1.098 184 F HN -0.293 nan 8.300 nan 0.000 0.586 185 L N 2.329 123.557 121.223 0.008 0.000 2.534 185 L HA 0.358 4.697 4.340 -0.001 0.000 0.271 185 L C 1.394 178.315 176.870 0.084 0.000 1.178 185 L CA 0.825 55.708 54.840 0.071 0.000 0.907 185 L CB -0.164 41.894 42.059 -0.003 0.000 1.164 185 L HN 0.623 nan 8.230 nan 0.000 0.482 186 G N 1.895 110.746 108.800 0.084 0.000 2.157 186 G HA2 0.042 4.001 3.960 -0.001 0.000 0.239 186 G HA3 0.042 4.001 3.960 -0.001 0.000 0.239 186 G C 0.489 175.433 174.900 0.074 0.000 0.982 186 G CA -0.096 45.041 45.100 0.062 0.000 0.650 186 G HN 1.475 nan 8.290 nan 0.000 0.527 187 G N -1.295 107.570 108.800 0.109 0.000 2.663 187 G HA2 0.426 4.385 3.960 -0.001 0.000 0.686 187 G HA3 0.426 4.385 3.960 -0.001 0.000 0.686 187 G C -0.911 174.124 174.900 0.225 0.000 1.246 187 G CA 0.321 45.502 45.100 0.135 0.000 0.795 187 G HN 2.065 nan 8.290 nan 0.000 0.627 188 H N 1.185 120.360 119.070 0.175 0.000 3.267 188 H HA 0.190 4.745 4.556 -0.001 0.000 0.319 188 H C 1.344 176.841 175.328 0.281 0.000 1.191 188 H CA -0.156 56.043 56.048 0.252 0.000 1.562 188 H CB 0.606 30.621 29.762 0.422 0.000 2.076 188 H HN 0.667 nan 8.280 nan 0.000 0.429 189 K N 2.279 122.834 120.400 0.257 0.000 2.184 189 K HA -0.229 4.091 4.320 -0.001 0.000 0.210 189 K C 1.692 178.577 176.600 0.475 0.000 1.048 189 K CA 2.091 58.559 56.287 0.302 0.000 0.931 189 K CB 0.101 32.706 32.500 0.175 0.000 0.718 189 K HN 0.459 nan 8.250 nan 0.000 0.465 190 A N 0.012 123.195 122.820 0.604 0.000 2.208 190 A HA -0.014 4.305 4.320 -0.001 0.000 0.209 190 A C -0.010 177.513 177.584 -0.101 0.000 1.161 190 A CA 0.302 52.501 52.037 0.269 0.000 0.782 190 A CB -0.097 18.998 19.000 0.159 0.000 0.816 190 A HN 0.197 nan 8.150 nan 0.000 0.477 191 Y N -0.661 119.746 120.300 0.177 0.000 2.367 191 Y HA 0.358 4.908 4.550 -0.001 0.000 0.342 191 Y C 0.592 176.636 175.900 0.240 0.000 0.979 191 Y CA -0.331 57.848 58.100 0.132 0.000 1.161 191 Y CB 0.627 39.148 38.460 0.102 0.000 1.155 191 Y HN 0.274 nan 8.280 nan 0.000 0.503 192 Y N 1.070 121.465 120.300 0.159 0.000 2.503 192 Y HA 0.178 4.727 4.550 -0.000 0.000 0.277 192 Y C 0.735 176.512 175.900 -0.204 0.000 1.102 192 Y CA -0.643 57.395 58.100 -0.102 0.000 1.261 192 Y CB -0.264 37.937 38.460 -0.430 0.000 1.096 192 Y HN 0.360 nan 8.280 nan 0.000 0.546 193 L N 2.990 124.184 121.223 -0.048 0.000 2.490 193 L HA 0.094 4.434 4.340 -0.001 0.000 0.274 193 L C -1.964 174.736 176.870 -0.283 0.000 1.201 193 L CA -1.651 52.979 54.840 -0.350 0.000 0.869 193 L CB -0.117 41.829 42.059 -0.188 0.000 1.123 193 L HN -0.119 nan 8.230 nan 0.000 0.484 194 P HA -0.019 nan 4.420 nan 0.000 0.266 194 P C -1.850 175.354 177.300 -0.160 0.000 1.193 194 P CA -0.936 62.036 63.100 -0.213 0.000 0.770 194 P CB 0.030 31.615 31.700 -0.193 0.000 0.836 195 P HA -0.212 nan 4.420 nan 0.000 0.216 195 P C 0.887 178.128 177.300 -0.099 0.000 1.150 195 P CA 1.714 64.753 63.100 -0.102 0.000 0.843 195 P CB 0.155 31.811 31.700 -0.073 0.000 0.787 196 E N -0.160 119.991 120.200 -0.081 0.000 2.072 196 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 196 E C 2.167 178.724 176.600 -0.072 0.000 0.985 196 E CA 0.792 57.154 56.400 -0.064 0.000 0.801 196 E CB -1.383 28.295 29.700 -0.036 0.000 0.750 196 E HN 0.076 nan 8.360 nan 0.000 0.452 197 V N 1.775 121.636 119.914 -0.089 0.000 2.427 197 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 197 V C 1.552 177.595 176.094 -0.085 0.000 1.051 197 V CA 1.820 64.073 62.300 -0.078 0.000 1.048 197 V CB -0.479 31.276 31.823 -0.114 0.000 0.666 197 V HN 0.228 nan 8.190 nan 0.000 0.456 198 D N 0.038 120.367 120.400 -0.118 0.000 2.123 198 D HA -0.162 4.478 4.640 -0.001 0.000 0.196 198 D C 2.029 178.246 176.300 -0.138 0.000 0.992 198 D CA 1.283 55.197 54.000 -0.143 0.000 0.833 198 D CB -0.103 40.580 40.800 -0.195 0.000 0.954 198 D HN 0.364 nan 8.370 nan 0.000 0.455 199 L N 1.051 122.200 121.223 -0.123 0.000 2.027 199 L HA -0.083 4.257 4.340 -0.001 0.000 0.206 199 L C 2.231 179.023 176.870 -0.130 0.000 1.074 199 L CA 1.234 56.004 54.840 -0.115 0.000 0.745 199 L CB -0.564 41.440 42.059 -0.092 0.000 0.898 199 L HN -0.040 nan 8.230 nan 0.000 0.433 200 I N -0.229 120.254 120.570 -0.144 0.000 2.163 200 I HA -0.345 3.825 4.170 -0.001 0.000 0.243 200 I C 2.605 178.512 176.117 -0.350 0.000 1.085 200 I CA 1.420 62.564 61.300 -0.260 0.000 1.347 200 I CB -0.749 37.143 38.000 -0.180 0.000 1.044 200 I HN 0.370 nan 8.210 nan 0.000 0.408 201 A N 0.264 123.018 122.820 -0.110 0.000 1.902 201 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 201 A C 2.390 180.057 177.584 0.139 0.000 1.181 201 A CA 2.455 54.543 52.037 0.084 0.000 0.623 201 A CB -1.109 17.951 19.000 0.100 0.000 0.818 201 A HN 0.416 nan 8.150 nan 0.000 0.443 202 T N 0.408 114.964 114.554 0.003 0.000 2.708 202 T HA -0.018 4.332 4.350 -0.001 0.000 0.266 202 T C 2.254 177.002 174.700 0.080 0.000 1.037 202 T CA 1.592 63.691 62.100 -0.002 0.000 1.146 202 T CB -0.540 68.247 68.868 -0.135 0.000 0.865 202 T HN 0.608 nan 8.240 nan 0.000 0.435 203 A N 1.376 124.193 122.820 -0.004 0.000 1.917 203 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 203 A C 1.954 179.632 177.584 0.156 0.000 1.182 203 A CA 1.936 53.989 52.037 0.026 0.000 0.633 203 A CB -1.046 17.923 19.000 -0.051 0.000 0.819 203 A HN 0.741 nan 8.150 nan 0.000 0.448 204 H N -3.660 115.480 119.070 0.118 0.000 2.423 204 H HA -0.118 4.438 4.556 -0.001 0.000 0.297 204 H C 1.998 177.248 175.328 -0.129 0.000 1.075 204 H CA 1.270 57.358 56.048 0.067 0.000 1.342 204 H CB -0.135 29.711 29.762 0.141 0.000 1.395 204 H HN 0.691 nan 8.280 nan 0.000 0.530 205 Y N 1.839 122.164 120.300 0.042 0.000 2.128 205 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 205 Y C 2.098 178.059 175.900 0.102 0.000 1.154 205 Y CA 1.370 59.509 58.100 0.064 0.000 1.149 205 Y CB -0.466 38.112 38.460 0.198 0.000 0.976 205 Y HN 0.051 nan 8.280 nan 0.000 0.505 206 L N -0.070 121.358 121.223 0.342 0.000 2.017 206 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 206 L C 2.434 179.309 176.870 0.009 0.000 1.073 206 L CA 1.799 56.751 54.840 0.187 0.000 0.745 206 L CB -0.731 41.412 42.059 0.141 0.000 0.894 206 L HN 0.258 nan 8.230 nan 0.000 0.432 207 E N 0.496 120.663 120.200 -0.055 0.000 2.070 207 E HA -0.271 4.079 4.350 -0.001 0.000 0.197 207 E C 2.311 178.701 176.600 -0.351 0.000 1.004 207 E CA 1.322 57.597 56.400 -0.208 0.000 0.805 207 E CB -0.255 29.408 29.700 -0.061 0.000 0.744 207 E HN 0.510 nan 8.360 nan 0.000 0.451 208 A N 1.272 123.874 122.820 -0.363 0.000 1.986 208 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 208 A C 2.208 179.743 177.584 -0.083 0.000 1.171 208 A CA 1.221 53.017 52.037 -0.401 0.000 0.640 208 A CB -0.712 18.010 19.000 -0.463 0.000 0.811 208 A HN 0.151 nan 8.150 nan 0.000 0.451 209 L N -1.614 119.615 121.223 0.011 0.000 2.083 209 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 209 L C 2.603 179.451 176.870 -0.037 0.000 1.083 209 L CA 1.536 56.321 54.840 -0.091 0.000 0.752 209 L CB -0.778 41.199 42.059 -0.136 0.000 0.899 209 L HN 0.531 nan 8.230 nan 0.000 0.433 210 H N -1.300 117.664 119.070 -0.176 0.000 2.357 210 H HA -0.166 4.389 4.556 -0.000 0.000 0.301 210 H C 2.232 177.447 175.328 -0.189 0.000 1.082 210 H CA 1.549 57.500 56.048 -0.162 0.000 1.342 210 H CB 0.136 29.804 29.762 -0.156 0.000 1.389 210 H HN 0.227 nan 8.280 nan 0.000 0.511 211 M N 1.784 121.275 119.600 -0.181 0.000 2.229 211 M HA -0.147 4.333 4.480 -0.001 0.000 0.264 211 M C 2.254 178.480 176.300 -0.123 0.000 1.063 211 M CA 1.410 56.549 55.300 -0.268 0.000 1.114 211 M CB -0.034 32.152 32.600 -0.690 0.000 1.387 211 M HN 0.213 nan 8.290 nan 0.000 0.420 212 Q N -1.173 118.578 119.800 -0.083 0.000 2.224 212 Q HA -0.041 4.298 4.340 -0.001 0.000 0.203 212 Q C 1.574 177.660 176.000 0.143 0.000 0.970 212 Q CA 1.938 57.755 55.803 0.024 0.000 0.865 212 Q CB -1.526 27.161 28.738 -0.085 0.000 0.922 212 Q HN 0.375 nan 8.270 nan 0.000 0.445 213 V N 1.132 121.064 119.914 0.031 0.000 2.332 213 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 213 V C 2.232 178.330 176.094 0.006 0.000 1.055 213 V CA 2.278 64.581 62.300 0.005 0.000 1.038 213 V CB -0.623 31.162 31.823 -0.063 0.000 0.651 213 V HN 0.391 nan 8.190 nan 0.000 0.450 214 K N 0.188 120.584 120.400 -0.006 0.000 2.057 214 K HA -0.086 4.234 4.320 -0.001 0.000 0.206 214 K C 2.344 178.950 176.600 0.010 0.000 1.050 214 K CA 1.410 57.691 56.287 -0.011 0.000 0.935 214 K CB -0.430 32.052 32.500 -0.030 0.000 0.715 214 K HN 0.468 nan 8.250 nan 0.000 0.439 215 A N 1.347 124.201 122.820 0.057 0.000 1.933 215 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 215 A C 2.293 179.921 177.584 0.074 0.000 1.175 215 A CA 1.873 53.967 52.037 0.095 0.000 0.628 215 A CB -0.553 18.563 19.000 0.195 0.000 0.814 215 A HN 0.349 nan 8.150 nan 0.000 0.444 216 A N -1.102 121.752 122.820 0.057 0.000 1.968 216 A HA 0.037 4.357 4.320 -0.001 0.000 0.217 216 A C 2.402 179.960 177.584 -0.044 0.000 1.169 216 A CA 1.710 53.699 52.037 -0.080 0.000 0.638 216 A CB -0.677 18.235 19.000 -0.148 0.000 0.812 216 A HN 0.411 nan 8.150 nan 0.000 0.446 217 S N -0.161 115.528 115.700 -0.018 0.000 2.368 217 S HA -0.061 4.409 4.470 -0.001 0.000 0.225 217 S C 2.338 176.946 174.600 0.013 0.000 1.030 217 S CA 1.213 59.406 58.200 -0.011 0.000 0.999 217 S CB -0.420 62.773 63.200 -0.010 0.000 0.844 217 S HN 0.779 nan 8.310 nan 0.000 0.459 218 A N 1.397 124.223 122.820 0.010 0.000 1.865 218 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 218 A C 2.146 179.842 177.584 0.186 0.000 1.191 218 A CA 1.949 54.009 52.037 0.039 0.000 0.623 218 A CB -0.729 18.165 19.000 -0.176 0.000 0.826 218 A HN 0.536 nan 8.150 nan 0.000 0.444 219 M N -0.379 119.270 119.600 0.081 0.000 2.108 219 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 219 M C 2.196 178.459 176.300 -0.062 0.000 1.066 219 M CA 1.846 57.169 55.300 0.037 0.000 1.107 219 M CB -0.224 32.355 32.600 -0.035 0.000 1.356 219 M HN 0.433 nan 8.290 nan 0.000 0.406 220 A N 0.124 122.915 122.820 -0.048 0.000 2.067 220 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 220 A C 1.905 179.437 177.584 -0.086 0.000 1.158 220 A CA 1.271 53.266 52.037 -0.072 0.000 0.661 220 A CB -0.977 17.997 19.000 -0.042 0.000 0.801 220 A HN 0.627 nan 8.150 nan 0.000 0.452 221 I N -0.540 120.003 120.570 -0.045 0.000 2.163 221 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 221 I C 2.213 178.211 176.117 -0.198 0.000 1.085 221 I CA 1.362 62.622 61.300 -0.066 0.000 1.347 221 I CB -0.210 37.809 38.000 0.031 0.000 1.044 221 I HN 0.296 nan 8.210 nan 0.000 0.408 222 L N -0.492 120.530 121.223 -0.336 0.000 2.307 222 L HA 0.102 4.442 4.340 -0.001 0.000 0.211 222 L C 2.294 178.692 176.870 -0.786 0.000 1.099 222 L CA 0.882 55.395 54.840 -0.545 0.000 0.816 222 L CB -0.572 41.075 42.059 -0.688 0.000 0.952 222 L HN 0.266 nan 8.230 nan 0.000 0.455 223 G N -1.477 106.929 108.800 -0.656 0.000 2.986 223 G HA2 0.318 4.278 3.960 -0.001 0.000 0.213 223 G HA3 0.318 4.278 3.960 -0.001 0.000 0.213 223 G C 1.287 176.110 174.900 -0.129 0.000 1.156 223 G CA 0.610 45.315 45.100 -0.658 0.000 0.763 223 G HN 0.438 nan 8.290 nan 0.000 0.547 224 G N 0.191 108.927 108.800 -0.106 0.000 2.336 224 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.233 224 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.233 224 G C 0.309 175.212 174.900 0.005 0.000 1.053 224 G CA 0.977 46.075 45.100 -0.003 0.000 0.625 224 G HN 1.427 nan 8.290 nan 0.000 0.511 225 K N -1.076 119.327 120.400 0.005 0.000 2.818 225 K HA 0.500 4.820 4.320 -0.001 0.000 0.287 225 K C -2.093 174.511 176.600 0.007 0.000 1.061 225 K CA -0.621 55.669 56.287 0.006 0.000 0.858 225 K CB 0.719 33.234 32.500 0.025 0.000 1.456 225 K HN 0.541 nan 8.250 nan 0.000 0.364 226 N N 1.632 120.319 118.700 -0.021 0.000 2.406 226 N HA 0.431 5.170 4.740 -0.001 0.000 0.283 226 N C -2.853 172.610 175.510 -0.077 0.000 1.074 226 N CA -0.925 52.096 53.050 -0.048 0.000 0.916 226 N CB 1.984 40.414 38.487 -0.094 0.000 1.639 226 N HN 0.608 nan 8.380 nan 0.000 0.485 227 P HA 0.371 nan 4.420 nan 0.000 0.274 227 P C -1.106 176.167 177.300 -0.045 0.000 1.256 227 P CA 0.414 63.428 63.100 -0.145 0.000 0.795 227 P CB 0.196 31.706 31.700 -0.318 0.000 1.038 228 H N -2.013 117.104 119.070 0.079 0.000 3.195 228 H HA -0.099 4.457 4.556 -0.001 0.000 0.330 228 H C 0.135 175.542 175.328 0.131 0.000 1.015 228 H CA 0.310 56.424 56.048 0.111 0.000 1.043 228 H CB -2.291 27.518 29.762 0.079 0.000 1.581 228 H HN 0.602 nan 8.280 nan 0.000 0.365 229 T N -0.826 113.921 114.554 0.323 0.000 2.855 229 T HA 0.295 4.645 4.350 -0.001 0.000 0.314 229 T C 0.714 175.602 174.700 0.313 0.000 1.077 229 T CA -0.345 61.942 62.100 0.312 0.000 1.095 229 T CB 1.932 71.056 68.868 0.427 0.000 0.987 229 T HN 0.598 nan 8.240 nan 0.000 0.546 230 Q N 1.183 121.174 119.800 0.317 0.000 3.662 230 Q HA 0.406 4.745 4.340 -0.001 0.000 0.237 230 Q C -0.888 175.283 176.000 0.286 0.000 0.895 230 Q CA -0.575 55.377 55.803 0.247 0.000 0.767 230 Q CB 0.166 28.996 28.738 0.154 0.000 1.469 230 Q HN 0.852 nan 8.270 nan 0.000 0.424 231 F N -2.003 117.991 119.950 0.072 0.000 3.021 231 F HA 0.341 4.867 4.527 -0.001 0.000 0.376 231 F C -0.023 175.790 175.800 0.022 0.000 1.075 231 F CA -0.186 57.828 58.000 0.023 0.000 1.073 231 F CB 0.141 39.127 39.000 -0.022 0.000 1.243 231 F HN 0.008 nan 8.300 nan 0.000 0.540 232 T N 1.746 115.916 114.554 -0.640 0.000 2.875 232 T HA 0.724 5.074 4.350 -0.001 0.000 0.284 232 T C -0.203 174.360 174.700 -0.229 0.000 0.995 232 T CA -0.026 61.740 62.100 -0.557 0.000 1.060 232 T CB 1.989 70.504 68.868 -0.589 0.000 0.967 232 T HN 0.672 nan 8.240 nan 0.000 0.476 233 V N -0.533 119.279 119.914 -0.169 0.000 3.160 233 V HA 0.763 4.883 4.120 -0.001 0.000 0.310 233 V C -0.129 175.886 176.094 -0.131 0.000 1.181 233 V CA -1.400 60.854 62.300 -0.077 0.000 1.047 233 V CB 1.427 33.263 31.823 0.023 0.000 1.068 233 V HN 0.789 nan 8.190 nan 0.000 0.441 234 V N 1.950 121.774 119.914 -0.149 0.000 2.585 234 V HA 0.508 4.628 4.120 -0.001 0.000 0.296 234 V C 1.673 177.585 176.094 -0.303 0.000 1.035 234 V CA 1.561 63.623 62.300 -0.396 0.000 1.084 234 V CB -0.086 31.227 31.823 -0.851 0.000 0.953 234 V HN 1.987 nan 8.190 nan 0.000 0.483 235 G N 2.783 111.404 108.800 -0.298 0.000 2.176 235 G HA2 0.086 4.046 3.960 -0.001 0.000 0.253 235 G HA3 0.086 4.046 3.960 -0.001 0.000 0.253 235 G C 0.698 175.577 174.900 -0.034 0.000 0.979 235 G CA 0.172 45.215 45.100 -0.096 0.000 0.641 235 G HN 1.971 nan 8.290 nan 0.000 0.530 236 G N -2.001 106.752 108.800 -0.078 0.000 2.451 236 G HA2 0.418 4.378 3.960 -0.001 0.000 0.083 236 G HA3 0.418 4.378 3.960 -0.001 0.000 0.083 236 G C -0.462 174.373 174.900 -0.110 0.000 1.107 236 G CA 0.514 45.569 45.100 -0.075 0.000 1.117 236 G HN 1.382 nan 8.290 nan 0.000 0.454 237 C N -0.201 119.039 119.300 -0.099 0.000 2.971 237 C HA 0.775 5.235 4.460 -0.001 0.000 0.310 237 C C 1.586 176.488 174.990 -0.147 0.000 1.285 237 C CA 0.324 59.279 59.018 -0.106 0.000 1.593 237 C CB 1.480 29.225 27.740 0.008 0.000 2.076 237 C HN 1.264 nan 8.230 nan 0.000 0.472 238 S N -0.271 115.375 115.700 -0.091 0.000 2.512 238 S HA 0.022 4.491 4.470 -0.001 0.000 0.216 238 S C 0.386 174.883 174.600 -0.171 0.000 1.006 238 S CA 0.381 58.515 58.200 -0.111 0.000 0.915 238 S CB -0.373 62.842 63.200 0.024 0.000 0.824 238 S HN 0.720 nan 8.310 nan 0.000 0.497 239 N N 1.411 120.049 118.700 -0.104 0.000 3.050 239 N HA 0.215 4.955 4.740 -0.001 0.000 0.289 239 N C -0.088 175.357 175.510 -0.108 0.000 1.209 239 N CA -0.453 52.566 53.050 -0.053 0.000 1.154 239 N CB -0.707 37.785 38.487 0.009 0.000 1.444 239 N HN 0.343 nan 8.380 nan 0.000 0.529 240 Y N 0.304 120.624 120.300 0.033 0.000 2.207 240 Y HA -0.198 4.352 4.550 -0.000 0.000 0.287 240 Y C 2.370 178.270 175.900 0.000 0.000 1.156 240 Y CA 1.259 59.370 58.100 0.017 0.000 1.182 240 Y CB -0.115 38.357 38.460 0.019 0.000 0.979 240 Y HN 0.503 nan 8.280 nan 0.000 0.521 241 Q N 0.011 119.892 119.800 0.134 0.000 2.170 241 Q HA -0.139 4.201 4.340 -0.001 0.000 0.203 241 Q C 2.356 178.358 176.000 0.004 0.000 0.976 241 Q CA 1.257 57.097 55.803 0.060 0.000 0.858 241 Q CB -0.495 28.269 28.738 0.043 0.000 0.907 241 Q HN 0.576 nan 8.270 nan 0.000 0.433 242 G N 0.456 109.234 108.800 -0.036 0.000 2.535 242 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.218 242 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.218 242 G C 1.123 175.967 174.900 -0.094 0.000 1.122 242 G CA 0.284 45.319 45.100 -0.109 0.000 0.769 242 G HN 0.314 nan 8.290 nan 0.000 0.549 243 L N 1.138 122.344 121.223 -0.029 0.000 2.607 243 L HA 0.188 4.527 4.340 -0.001 0.000 0.228 243 L C 1.406 178.282 176.870 0.009 0.000 1.123 243 L CA 0.103 54.938 54.840 -0.007 0.000 0.890 243 L CB -0.063 42.018 42.059 0.037 0.000 1.103 243 L HN 0.184 nan 8.230 nan 0.000 0.468 244 T N -4.253 110.306 114.554 0.008 0.000 2.934 244 T HA 0.149 4.499 4.350 -0.001 0.000 0.283 244 T C 1.028 175.733 174.700 0.008 0.000 1.005 244 T CA -0.719 61.390 62.100 0.015 0.000 1.041 244 T CB 2.174 71.055 68.868 0.021 0.000 1.042 244 T HN -0.009 nan 8.240 nan 0.000 0.505 245 K N 0.617 121.025 120.400 0.014 0.000 2.020 245 K HA -0.218 4.102 4.320 -0.001 0.000 0.212 245 K C 1.324 177.935 176.600 0.018 0.000 1.050 245 K CA 2.183 58.480 56.287 0.016 0.000 0.929 245 K CB -0.362 32.148 32.500 0.016 0.000 0.714 245 K HN 0.667 nan 8.250 nan 0.000 0.443 246 D N -0.100 120.309 120.400 0.015 0.000 2.084 246 D HA -0.065 4.575 4.640 -0.001 0.000 0.196 246 D C -0.772 175.541 176.300 0.021 0.000 0.985 246 D CA 1.064 55.074 54.000 0.017 0.000 0.826 246 D CB -1.397 39.411 40.800 0.014 0.000 0.978 246 D HN 0.280 nan 8.370 nan 0.000 0.456 247 P HA -0.080 nan 4.420 nan 0.000 0.215 247 P C 1.778 179.096 177.300 0.030 0.000 1.153 247 P CA 0.779 63.885 63.100 0.010 0.000 0.853 247 P CB -0.034 31.654 31.700 -0.020 0.000 0.788 248 L N -1.328 119.905 121.223 0.016 0.000 2.141 248 L HA -0.117 4.223 4.340 -0.001 0.000 0.209 248 L C 2.463 179.396 176.870 0.106 0.000 1.094 248 L CA 1.277 56.144 54.840 0.046 0.000 0.763 248 L CB -1.034 41.031 42.059 0.010 0.000 0.908 248 L HN -0.063 nan 8.230 nan 0.000 0.437 249 A N 0.219 123.079 122.820 0.067 0.000 1.877 249 A HA -0.261 4.059 4.320 -0.001 0.000 0.216 249 A C 2.104 179.728 177.584 0.066 0.000 1.186 249 A CA 2.189 54.261 52.037 0.059 0.000 0.620 249 A CB -0.656 18.366 19.000 0.036 0.000 0.822 249 A HN 0.444 nan 8.150 nan 0.000 0.443 250 N N -1.710 117.032 118.700 0.070 0.000 2.244 250 N HA -0.151 4.589 4.740 -0.001 0.000 0.183 250 N C 1.489 177.054 175.510 0.093 0.000 1.016 250 N CA 1.533 54.621 53.050 0.063 0.000 0.866 250 N CB -0.466 38.050 38.487 0.049 0.000 0.980 250 N HN 0.576 nan 8.380 nan 0.000 0.430 251 Y N 0.224 120.515 120.300 -0.015 0.000 2.200 251 Y HA -0.095 4.455 4.550 -0.000 0.000 0.290 251 Y C 2.047 177.944 175.900 -0.005 0.000 1.137 251 Y CA 1.170 59.260 58.100 -0.017 0.000 1.163 251 Y CB -0.480 37.964 38.460 -0.028 0.000 0.988 251 Y HN 0.108 nan 8.280 nan 0.000 0.518 252 L N 0.805 122.084 121.223 0.094 0.000 2.017 252 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 252 L C 2.435 179.279 176.870 -0.044 0.000 1.073 252 L CA 2.156 56.996 54.840 0.001 0.000 0.745 252 L CB -1.519 40.573 42.059 0.055 0.000 0.894 252 L HN 0.289 nan 8.230 nan 0.000 0.432 253 A N -0.405 122.407 122.820 -0.015 0.000 1.865 253 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 253 A C 2.301 179.859 177.584 -0.043 0.000 1.191 253 A CA 2.158 54.183 52.037 -0.021 0.000 0.623 253 A CB -1.007 17.991 19.000 -0.004 0.000 0.826 253 A HN 0.501 nan 8.150 nan 0.000 0.444 254 L N -0.441 120.748 121.223 -0.057 0.000 2.046 254 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 254 L C 2.879 179.685 176.870 -0.107 0.000 1.077 254 L CA 1.567 56.364 54.840 -0.072 0.000 0.747 254 L CB -0.463 41.554 42.059 -0.069 0.000 0.896 254 L HN 0.345 nan 8.230 nan 0.000 0.432 255 S N -0.467 115.118 115.700 -0.191 0.000 2.382 255 S HA -0.174 4.296 4.470 -0.001 0.000 0.228 255 S C 1.939 176.480 174.600 -0.098 0.000 1.027 255 S CA 1.180 59.262 58.200 -0.197 0.000 0.991 255 S CB -0.097 62.897 63.200 -0.344 0.000 0.823 255 S HN 0.335 nan 8.310 nan 0.000 0.469 256 K N 0.930 121.283 120.400 -0.078 0.000 2.097 256 K HA -0.045 4.275 4.320 -0.001 0.000 0.205 256 K C 2.212 178.801 176.600 -0.019 0.000 1.050 256 K CA 0.964 57.224 56.287 -0.045 0.000 0.938 256 K CB -0.074 32.403 32.500 -0.038 0.000 0.718 256 K HN 0.374 nan 8.250 nan 0.000 0.442 257 E N 0.282 120.471 120.200 -0.018 0.000 2.072 257 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 257 E C 1.987 178.608 176.600 0.035 0.000 0.985 257 E CA 1.004 57.407 56.400 0.004 0.000 0.801 257 E CB 0.180 29.874 29.700 -0.009 0.000 0.750 257 E HN 0.045 nan 8.360 nan 0.000 0.452 258 V N 0.546 120.473 119.914 0.023 0.000 2.307 258 V HA -0.294 3.826 4.120 -0.001 0.000 0.245 258 V C 2.442 178.611 176.094 0.125 0.000 1.045 258 V CA 1.420 63.764 62.300 0.074 0.000 1.024 258 V CB -0.404 31.447 31.823 0.047 0.000 0.651 258 V HN 0.450 nan 8.190 nan 0.000 0.449 259 c N -0.721 117.914 118.600 0.058 0.000 2.422 259 c HA -0.196 4.374 4.570 -0.001 0.000 0.279 259 c C 2.793 176.906 174.090 0.038 0.000 1.305 259 c CA 1.266 57.619 56.329 0.041 0.000 1.757 259 c CB -1.035 41.467 42.510 -0.014 0.000 1.962 259 c HN 0.622 nan 8.230 nan 0.000 0.499 260 Q N -0.497 119.329 119.800 0.044 0.000 2.061 260 Q HA -0.238 4.102 4.340 -0.001 0.000 0.204 260 Q C 2.027 178.068 176.000 0.069 0.000 0.984 260 Q CA 1.769 57.594 55.803 0.038 0.000 0.846 260 Q CB -0.297 28.464 28.738 0.038 0.000 0.902 260 Q HN 0.720 nan 8.270 nan 0.000 0.421 261 F N 0.023 119.958 119.950 -0.025 0.000 2.234 261 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 261 F C 1.864 177.674 175.800 0.016 0.000 1.087 261 F CA 0.862 58.844 58.000 -0.030 0.000 1.340 261 F CB -0.136 38.845 39.000 -0.033 0.000 1.031 261 F HN -0.128 nan 8.300 nan 0.000 0.500 262 V N 0.899 120.863 119.914 0.082 0.000 2.295 262 V HA -0.328 3.791 4.120 -0.001 0.000 0.246 262 V C 2.143 178.174 176.094 -0.105 0.000 1.049 262 V CA 2.300 64.633 62.300 0.054 0.000 1.024 262 V CB -0.691 31.208 31.823 0.127 0.000 0.648 262 V HN 0.389 nan 8.190 nan 0.000 0.447 263 N N -0.327 118.312 118.700 -0.101 0.000 2.354 263 N HA -0.089 4.651 4.740 -0.001 0.000 0.179 263 N C 1.740 177.160 175.510 -0.151 0.000 1.021 263 N CA 0.959 53.930 53.050 -0.132 0.000 0.887 263 N CB 0.021 38.448 38.487 -0.100 0.000 0.974 263 N HN 0.624 nan 8.380 nan 0.000 0.437 264 E N -0.563 119.535 120.200 -0.170 0.000 2.250 264 E HA 0.061 4.411 4.350 -0.001 0.000 0.192 264 E C 1.213 177.637 176.600 -0.295 0.000 0.986 264 E CA 0.482 56.775 56.400 -0.179 0.000 0.849 264 E CB 0.390 30.018 29.700 -0.120 0.000 0.797 264 E HN 0.332 nan 8.360 nan 0.000 0.482 265 C N -0.953 118.045 119.300 -0.503 0.000 2.508 265 C HA 0.113 4.572 4.460 -0.001 0.000 0.407 265 C C 2.163 176.991 174.990 -0.270 0.000 1.494 265 C CA -0.516 58.108 59.018 -0.656 0.000 2.531 265 C CB -0.903 25.974 27.740 -1.439 0.000 2.480 265 C HN 0.392 nan 8.230 nan 0.000 0.614 266 Y N 3.286 123.312 120.300 -0.457 0.000 2.030 266 Y HA -0.170 4.380 4.550 -0.001 0.000 0.274 266 Y C 2.244 177.883 175.900 -0.436 0.000 1.153 266 Y CA 1.566 59.461 58.100 -0.341 0.000 1.115 266 Y CB -0.924 37.400 38.460 -0.228 0.000 0.969 266 Y HN 0.168 nan 8.280 nan 0.000 0.488 267 I N 0.731 121.064 120.570 -0.396 0.000 2.099 267 I HA -0.230 3.940 4.170 -0.001 0.000 0.239 267 I C -0.217 175.724 176.117 -0.294 0.000 1.066 267 I CA 1.713 62.736 61.300 -0.461 0.000 1.324 267 I CB -2.846 34.934 38.000 -0.367 0.000 1.037 267 I HN 0.158 nan 8.210 nan 0.000 0.401 268 P HA -0.139 nan 4.420 nan 0.000 0.216 268 P C 1.153 178.427 177.300 -0.043 0.000 1.150 268 P CA 1.533 64.575 63.100 -0.096 0.000 0.843 268 P CB -0.016 31.654 31.700 -0.051 0.000 0.787 269 D N -0.970 119.426 120.400 -0.008 0.000 2.097 269 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 269 D C 1.885 178.175 176.300 -0.017 0.000 0.984 269 D CA 0.876 54.934 54.000 0.095 0.000 0.826 269 D CB -0.920 40.066 40.800 0.309 0.000 0.973 269 D HN 0.041 nan 8.370 nan 0.000 0.460 270 L N 0.797 121.838 121.223 -0.304 0.000 2.042 270 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 270 L C 2.148 178.894 176.870 -0.207 0.000 1.076 270 L CA 1.429 56.031 54.840 -0.398 0.000 0.749 270 L CB -0.582 41.083 42.059 -0.656 0.000 0.893 270 L HN 0.026 nan 8.230 nan 0.000 0.432 271 L N -1.015 120.100 121.223 -0.180 0.000 2.093 271 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 271 L C 2.600 179.448 176.870 -0.037 0.000 1.085 271 L CA 1.102 55.870 54.840 -0.121 0.000 0.755 271 L CB -0.844 41.141 42.059 -0.123 0.000 0.904 271 L HN 0.403 nan 8.230 nan 0.000 0.435 272 A N -0.401 122.431 122.820 0.020 0.000 1.872 272 A HA -0.128 4.192 4.320 -0.001 0.000 0.214 272 A C 2.333 180.056 177.584 0.232 0.000 1.187 272 A CA 1.365 53.480 52.037 0.129 0.000 0.614 272 A CB -0.781 18.317 19.000 0.163 0.000 0.826 272 A HN 0.143 nan 8.150 nan 0.000 0.442 273 V N 0.071 120.085 119.914 0.167 0.000 2.252 273 V HA -0.331 3.789 4.120 -0.001 0.000 0.249 273 V C 3.099 179.302 176.094 0.182 0.000 1.056 273 V CA 2.270 64.680 62.300 0.184 0.000 1.022 273 V CB -1.210 30.590 31.823 -0.037 0.000 0.641 273 V HN 0.630 nan 8.190 nan 0.000 0.445 274 A N 0.098 122.914 122.820 -0.006 0.000 1.940 274 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 274 A C 2.398 180.029 177.584 0.079 0.000 1.176 274 A CA 2.080 54.108 52.037 -0.015 0.000 0.631 274 A CB -1.269 17.675 19.000 -0.093 0.000 0.814 274 A HN 0.593 nan 8.150 nan 0.000 0.446 275 G N -1.686 107.142 108.800 0.047 0.000 2.442 275 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.219 275 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.219 275 G C 1.278 176.120 174.900 -0.097 0.000 1.141 275 G CA 1.094 46.162 45.100 -0.054 0.000 0.763 275 G HN 0.456 nan 8.290 nan 0.000 0.554 276 F N -1.118 118.872 119.950 0.066 0.000 2.512 276 F HA 0.277 4.803 4.527 -0.001 0.000 0.296 276 F C 0.994 176.802 175.800 0.014 0.000 1.110 276 F CA 0.215 58.214 58.000 -0.000 0.000 1.446 276 F CB 0.246 39.217 39.000 -0.047 0.000 1.092 276 F HN 0.093 nan 8.300 nan 0.000 0.554 277 Y N -0.421 120.111 120.300 0.388 0.000 2.774 277 Y HA 0.219 4.769 4.550 -0.000 0.000 0.305 277 Y C 1.402 177.532 175.900 0.383 0.000 1.067 277 Y CA -0.728 57.659 58.100 0.478 0.000 1.304 277 Y CB -0.470 38.174 38.460 0.307 0.000 1.209 277 Y HN -0.124 nan 8.280 nan 0.000 0.543 278 K N 0.466 121.064 120.400 0.330 0.000 2.160 278 K HA -0.221 4.098 4.320 -0.001 0.000 0.206 278 K C 1.366 178.115 176.600 0.248 0.000 1.047 278 K CA 1.828 58.244 56.287 0.215 0.000 0.930 278 K CB -0.062 32.494 32.500 0.094 0.000 0.720 278 K HN 0.554 nan 8.250 nan 0.000 0.450 279 D N -0.134 120.456 120.400 0.317 0.000 2.218 279 D HA -0.203 4.436 4.640 -0.001 0.000 0.204 279 D C 1.274 177.700 176.300 0.210 0.000 0.976 279 D CA 0.909 55.054 54.000 0.243 0.000 0.853 279 D CB -0.705 40.246 40.800 0.251 0.000 0.939 279 D HN 0.292 nan 8.370 nan 0.000 0.481 280 W N 1.638 123.110 121.300 0.287 0.000 2.961 280 W HA 0.289 4.949 4.660 -0.001 0.000 0.240 280 W C 2.353 178.978 176.519 0.177 0.000 1.305 280 W CA 0.728 58.230 57.345 0.262 0.000 1.465 280 W CB -0.244 29.439 29.460 0.372 0.000 1.135 280 W HN 0.106 nan 8.180 nan 0.000 0.688 281 G N -0.285 108.675 108.800 0.267 0.000 2.776 281 G HA2 0.029 3.989 3.960 -0.001 0.000 0.209 281 G HA3 0.029 3.989 3.960 -0.001 0.000 0.209 281 G C 1.374 176.343 174.900 0.115 0.000 1.145 281 G CA 0.768 45.967 45.100 0.164 0.000 0.791 281 G HN 0.337 nan 8.290 nan 0.000 0.530 282 G N -0.152 108.690 108.800 0.071 0.000 3.735 282 G HA2 0.471 4.430 3.960 -0.001 0.000 0.283 282 G HA3 0.471 4.430 3.960 -0.001 0.000 0.283 282 G C -0.057 174.825 174.900 -0.030 0.000 1.007 282 G CA -0.357 44.759 45.100 0.026 0.000 0.821 282 G HN 0.300 nan 8.290 nan 0.000 0.505 283 I N -0.123 120.419 120.570 -0.046 0.000 2.545 283 I HA 0.547 4.717 4.170 -0.001 0.000 0.292 283 I C 0.986 177.139 176.117 0.060 0.000 1.040 283 I CA -0.587 60.635 61.300 -0.129 0.000 1.068 283 I CB 2.185 39.837 38.000 -0.581 0.000 1.251 283 I HN 0.142 nan 8.210 nan 0.000 0.424 284 G N 3.748 112.598 108.800 0.084 0.000 2.149 284 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.235 284 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.235 284 G C 0.370 175.391 174.900 0.201 0.000 1.018 284 G CA -0.110 45.102 45.100 0.186 0.000 0.728 284 G HN 1.069 nan 8.290 nan 0.000 0.508 285 G N -0.320 108.579 108.800 0.165 0.000 2.467 285 G HA2 0.724 4.684 3.960 -0.001 0.000 0.257 285 G HA3 0.724 4.684 3.960 -0.001 0.000 0.257 285 G C 0.482 175.481 174.900 0.166 0.000 1.227 285 G CA 1.053 46.272 45.100 0.198 0.000 0.835 285 G HN 1.377 nan 8.290 nan 0.000 0.556 286 T N -1.958 112.709 114.554 0.189 0.000 2.718 286 T HA 0.670 5.019 4.350 -0.001 0.000 0.267 286 T C 0.790 175.454 174.700 -0.060 0.000 0.957 286 T CA -0.047 62.088 62.100 0.060 0.000 1.025 286 T CB 1.778 70.685 68.868 0.065 0.000 1.355 286 T HN 0.290 nan 8.240 nan 0.000 0.572 287 S N -0.150 115.411 115.700 -0.231 0.000 2.653 287 S HA 0.324 4.794 4.470 -0.001 0.000 0.259 287 S C -0.141 174.205 174.600 -0.424 0.000 1.076 287 S CA -0.383 57.649 58.200 -0.279 0.000 1.051 287 S CB 0.125 63.218 63.200 -0.178 0.000 0.994 287 S HN 0.705 nan 8.310 nan 0.000 0.552 288 N N 1.246 119.616 118.700 -0.550 0.000 2.362 288 N HA 0.569 5.309 4.740 -0.001 0.000 0.298 288 N C -1.548 173.539 175.510 -0.705 0.000 1.048 288 N CA -0.203 52.579 53.050 -0.446 0.000 0.858 288 N CB 0.953 39.315 38.487 -0.207 0.000 1.218 288 N HN 0.151 nan 8.380 nan 0.000 0.488 289 Y N 0.447 120.717 120.300 -0.051 0.000 2.442 289 Y HA 0.572 5.121 4.550 -0.001 0.000 0.344 289 Y C -0.555 175.230 175.900 -0.190 0.000 0.976 289 Y CA -1.090 56.967 58.100 -0.072 0.000 1.040 289 Y CB 1.917 40.389 38.460 0.021 0.000 1.228 289 Y HN 0.328 nan 8.280 nan 0.000 0.451 290 L N 2.702 123.832 121.223 -0.154 0.000 2.410 290 L HA 1.009 5.349 4.340 -0.001 0.000 0.270 290 L C -1.296 175.364 176.870 -0.351 0.000 0.983 290 L CA -0.597 54.020 54.840 -0.372 0.000 0.822 290 L CB 1.689 43.307 42.059 -0.735 0.000 1.285 290 L HN 0.705 nan 8.230 nan 0.000 0.409 291 A N 3.526 126.186 122.820 -0.267 0.000 2.449 291 A HA 0.688 5.008 4.320 -0.001 0.000 0.302 291 A C -0.663 176.888 177.584 -0.054 0.000 1.048 291 A CA -0.420 51.494 52.037 -0.205 0.000 0.708 291 A CB 0.805 19.772 19.000 -0.056 0.000 1.274 291 A HN 0.632 nan 8.150 nan 0.000 0.410 292 F N 1.507 121.458 119.950 0.001 0.000 2.765 292 F HA 0.408 4.935 4.527 -0.001 0.000 0.302 292 F C 1.633 177.503 175.800 0.117 0.000 1.111 292 F CA 0.119 58.153 58.000 0.057 0.000 1.359 292 F CB -0.516 38.516 39.000 0.053 0.000 1.097 292 F HN 1.126 nan 8.300 nan 0.000 0.577 293 G N 1.097 110.039 108.800 0.237 0.000 2.785 293 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.685 293 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.685 293 G C -0.822 174.151 174.900 0.121 0.000 1.480 293 G CA -0.531 44.650 45.100 0.135 0.000 0.915 293 G HN 0.262 nan 8.290 nan 0.000 0.576 294 E N -0.882 119.316 120.200 -0.004 0.000 2.449 294 E HA 0.744 5.094 4.350 -0.001 0.000 0.278 294 E C 0.066 176.437 176.600 -0.383 0.000 0.992 294 E CA -0.757 55.458 56.400 -0.308 0.000 0.807 294 E CB 0.539 29.857 29.700 -0.637 0.000 1.350 294 E HN 1.477 nan 8.360 nan 0.000 0.462 295 F N -0.862 118.934 119.950 -0.256 0.000 2.905 295 F HA -0.112 4.415 4.527 -0.001 0.000 0.311 295 F C 0.089 175.736 175.800 -0.256 0.000 1.005 295 F CA 0.586 58.346 58.000 -0.401 0.000 1.029 295 F CB -2.012 36.626 39.000 -0.602 0.000 1.151 295 F HN 0.411 nan 8.300 nan 0.000 0.805 296 A N 0.340 123.084 122.820 -0.128 0.000 2.340 296 A HA 0.615 4.935 4.320 -0.001 0.000 0.268 296 A C 1.355 178.905 177.584 -0.058 0.000 1.100 296 A CA 0.153 52.122 52.037 -0.113 0.000 0.803 296 A CB 0.517 19.413 19.000 -0.172 0.000 1.043 296 A HN 0.720 nan 8.150 nan 0.000 0.488 297 T N -1.625 112.915 114.554 -0.023 0.000 3.067 297 T HA 0.071 4.421 4.350 -0.001 0.000 0.257 297 T C 0.127 174.823 174.700 -0.007 0.000 1.105 297 T CA 1.061 63.157 62.100 -0.006 0.000 1.104 297 T CB -0.023 68.860 68.868 0.024 0.000 0.925 297 T HN 0.555 nan 8.240 nan 0.000 0.498 298 D N 0.999 121.392 120.400 -0.010 0.000 2.440 298 D HA 0.250 4.890 4.640 -0.001 0.000 0.252 298 D C -1.105 175.200 176.300 0.008 0.000 1.180 298 D CA -0.465 53.535 54.000 -0.001 0.000 0.894 298 D CB 1.136 41.938 40.800 0.003 0.000 1.111 298 D HN -0.048 nan 8.370 nan 0.000 0.544 299 D N 1.769 122.174 120.400 0.008 0.000 2.738 299 D HA 0.020 4.659 4.640 -0.001 0.000 0.246 299 D C 1.300 177.592 176.300 -0.013 0.000 1.270 299 D CA 0.114 54.125 54.000 0.017 0.000 0.833 299 D CB 0.562 41.367 40.800 0.009 0.000 1.040 299 D HN 0.354 nan 8.370 nan 0.000 0.487 300 S N -0.947 114.749 115.700 -0.007 0.000 2.496 300 S HA 0.036 4.506 4.470 -0.001 0.000 0.224 300 S C 0.919 175.505 174.600 -0.023 0.000 0.996 300 S CA -0.152 58.039 58.200 -0.015 0.000 0.927 300 S CB 0.148 63.345 63.200 -0.004 0.000 0.774 300 S HN 0.183 nan 8.310 nan 0.000 0.524 301 S N -0.799 114.889 115.700 -0.021 0.000 2.567 301 S HA 0.523 4.993 4.470 -0.001 0.000 0.270 301 S C -3.020 171.560 174.600 -0.032 0.000 1.152 301 S CA -1.091 57.090 58.200 -0.032 0.000 0.835 301 S CB 1.097 64.288 63.200 -0.015 0.000 1.115 301 S HN -0.088 nan 8.310 nan 0.000 0.459 302 P HA -0.059 nan 4.420 nan 0.000 0.216 302 P C 1.466 178.756 177.300 -0.017 0.000 1.153 302 P CA 1.495 64.537 63.100 -0.097 0.000 0.858 302 P CB -0.042 31.566 31.700 -0.153 0.000 0.789 303 E N -0.653 119.545 120.200 -0.003 0.000 2.107 303 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 303 E C 1.976 178.592 176.600 0.027 0.000 0.982 303 E CA 0.869 57.280 56.400 0.019 0.000 0.809 303 E CB -0.809 28.904 29.700 0.021 0.000 0.756 303 E HN 0.316 nan 8.360 nan 0.000 0.459 304 K N -0.122 120.292 120.400 0.024 0.000 2.097 304 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 304 K C 2.148 178.765 176.600 0.028 0.000 1.049 304 K CA 1.710 58.010 56.287 0.022 0.000 0.933 304 K CB -0.590 31.919 32.500 0.016 0.000 0.717 304 K HN 0.482 nan 8.250 nan 0.000 0.442 305 H N 0.932 119.974 119.070 -0.048 0.000 2.293 305 H HA 0.011 4.567 4.556 -0.001 0.000 0.300 305 H C 2.059 177.372 175.328 -0.024 0.000 1.082 305 H CA 1.710 57.725 56.048 -0.054 0.000 1.308 305 H CB -0.198 29.507 29.762 -0.096 0.000 1.375 305 H HN 0.000 nan 8.280 nan 0.000 0.495 306 L N -0.226 121.037 121.223 0.067 0.000 2.081 306 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 306 L C 2.696 179.560 176.870 -0.010 0.000 1.080 306 L CA 1.212 56.077 54.840 0.041 0.000 0.754 306 L CB -0.512 41.589 42.059 0.071 0.000 0.893 306 L HN 0.504 nan 8.230 nan 0.000 0.433 307 A N -1.001 121.813 122.820 -0.010 0.000 2.030 307 A HA -0.079 4.241 4.320 -0.001 0.000 0.215 307 A C 2.115 179.690 177.584 -0.015 0.000 1.164 307 A CA 1.471 53.508 52.037 -0.001 0.000 0.697 307 A CB -0.350 18.657 19.000 0.013 0.000 0.827 307 A HN 0.461 nan 8.150 nan 0.000 0.457 308 T N -3.684 110.841 114.554 -0.049 0.000 3.040 308 T HA 0.248 4.597 4.350 -0.001 0.000 0.266 308 T C 0.417 175.084 174.700 -0.056 0.000 1.005 308 T CA 0.291 62.371 62.100 -0.033 0.000 0.906 308 T CB -0.221 68.635 68.868 -0.020 0.000 1.082 308 T HN 0.045 nan 8.240 nan 0.000 0.531 309 S N 2.596 118.212 115.700 -0.141 0.000 2.544 309 S HA 0.058 4.528 4.470 -0.001 0.000 0.290 309 S C 1.299 175.944 174.600 0.075 0.000 1.276 309 S CA -0.246 57.878 58.200 -0.127 0.000 1.075 309 S CB 0.774 63.841 63.200 -0.222 0.000 0.849 309 S HN 0.521 nan 8.310 nan 0.000 0.494 310 Q N 1.540 121.449 119.800 0.182 0.000 2.167 310 Q HA -0.020 4.319 4.340 -0.001 0.000 0.202 310 Q C -0.320 176.028 176.000 0.579 0.000 0.970 310 Q CA 0.870 56.874 55.803 0.335 0.000 0.855 310 Q CB 0.030 29.001 28.738 0.388 0.000 0.911 310 Q HN 0.593 nan 8.270 nan 0.000 0.438 311 F N 2.606 122.732 119.950 0.294 0.000 2.423 311 F HA 0.245 4.772 4.527 -0.000 0.000 0.356 311 F C -1.873 173.974 175.800 0.078 0.000 1.170 311 F CA -3.722 54.424 58.000 0.243 0.000 1.163 311 F CB 0.049 39.277 39.000 0.381 0.000 1.318 311 F HN -0.033 nan 8.300 nan 0.000 0.569 312 P HA 0.076 nan 4.420 nan 0.000 0.272 312 P C -0.144 177.186 177.300 0.050 0.000 1.230 312 P CA -0.144 63.000 63.100 0.073 0.000 0.788 312 P CB 1.030 32.747 31.700 0.028 0.000 0.949 313 S N 0.355 116.083 115.700 0.047 0.000 2.632 313 S HA 0.789 5.259 4.470 -0.001 0.000 0.267 313 S C 0.431 175.053 174.600 0.037 0.000 1.276 313 S CA 0.100 58.339 58.200 0.066 0.000 0.998 313 S CB 0.624 63.891 63.200 0.112 0.000 0.953 313 S HN 0.915 nan 8.310 nan 0.000 0.547 314 G N -0.920 107.896 108.800 0.025 0.000 2.320 314 G HA2 0.437 4.397 3.960 -0.001 0.000 0.297 314 G HA3 0.437 4.397 3.960 -0.001 0.000 0.297 314 G C -1.975 172.898 174.900 -0.046 0.000 1.344 314 G CA -0.375 44.730 45.100 0.008 0.000 0.851 314 G HN 1.272 nan 8.290 nan 0.000 0.567 315 V N 0.622 120.517 119.914 -0.032 0.000 2.525 315 V HA 0.597 4.717 4.120 -0.001 0.000 0.299 315 V C -0.284 175.815 176.094 0.008 0.000 1.034 315 V CA -0.469 61.787 62.300 -0.074 0.000 0.863 315 V CB 1.434 33.197 31.823 -0.100 0.000 0.999 315 V HN 0.674 nan 8.190 nan 0.000 0.423 316 I N 3.484 124.078 120.570 0.040 0.000 2.404 316 I HA 0.597 4.767 4.170 -0.001 0.000 0.293 316 I C -0.012 176.139 176.117 0.055 0.000 0.992 316 I CA -0.067 61.285 61.300 0.085 0.000 1.149 316 I CB 2.362 40.463 38.000 0.168 0.000 1.315 316 I HN 0.549 nan 8.210 nan 0.000 0.446 317 T N 3.418 117.992 114.554 0.033 0.000 2.876 317 T HA 0.446 4.796 4.350 -0.001 0.000 0.289 317 T C 0.516 175.202 174.700 -0.023 0.000 1.014 317 T CA -0.137 61.963 62.100 0.000 0.000 0.986 317 T CB 1.705 70.591 68.868 0.029 0.000 1.021 317 T HN 0.984 nan 8.240 nan 0.000 0.458 318 G N 2.706 111.469 108.800 -0.060 0.000 2.341 318 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.292 318 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.292 318 G C 0.516 175.350 174.900 -0.110 0.000 1.021 318 G CA 0.764 45.816 45.100 -0.081 0.000 0.905 318 G HN 0.913 nan 8.290 nan 0.000 0.508 319 R N -1.522 118.900 120.500 -0.130 0.000 3.758 319 R HA -0.189 4.151 4.340 -0.001 0.000 0.299 319 R C 0.175 176.415 176.300 -0.099 0.000 1.182 319 R CA 1.166 57.147 56.100 -0.199 0.000 0.809 319 R CB -1.277 28.731 30.300 -0.487 0.000 1.249 319 R HN 0.503 nan 8.270 nan 0.000 0.497 320 D N 0.985 121.361 120.400 -0.040 0.000 2.483 320 D HA 0.091 4.731 4.640 -0.001 0.000 0.220 320 D C 1.130 177.433 176.300 0.006 0.000 1.173 320 D CA -0.067 53.925 54.000 -0.014 0.000 0.964 320 D CB 0.367 41.165 40.800 -0.003 0.000 1.046 320 D HN 0.271 nan 8.370 nan 0.000 0.517 321 L N 1.971 123.200 121.223 0.009 0.000 2.353 321 L HA -0.024 4.315 4.340 -0.001 0.000 0.220 321 L C 2.309 179.208 176.870 0.049 0.000 1.133 321 L CA 0.808 55.672 54.840 0.039 0.000 0.798 321 L CB 0.081 42.185 42.059 0.077 0.000 0.922 321 L HN 0.367 nan 8.230 nan 0.000 0.445 322 G N -0.447 108.374 108.800 0.036 0.000 2.920 322 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.208 322 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.208 322 G C 0.706 175.623 174.900 0.028 0.000 1.159 322 G CA 0.020 45.139 45.100 0.032 0.000 0.784 322 G HN 0.200 nan 8.290 nan 0.000 0.535 323 K N 0.565 120.983 120.400 0.030 0.000 2.832 323 K HA 0.365 4.685 4.320 -0.001 0.000 0.243 323 K C -1.336 175.287 176.600 0.038 0.000 1.117 323 K CA -0.419 55.888 56.287 0.032 0.000 1.068 323 K CB 1.509 34.027 32.500 0.030 0.000 1.286 323 K HN -0.106 nan 8.250 nan 0.000 0.553 324 V N 3.518 123.454 119.914 0.037 0.000 2.385 324 V HA 0.193 4.312 4.120 -0.001 0.000 0.269 324 V C 0.179 176.300 176.094 0.044 0.000 1.043 324 V CA -0.501 61.822 62.300 0.039 0.000 0.906 324 V CB 1.037 32.879 31.823 0.031 0.000 0.995 324 V HN 0.640 nan 8.190 nan 0.000 0.467 325 D N 3.160 123.593 120.400 0.055 0.000 2.312 325 D HA 0.252 4.892 4.640 -0.001 0.000 0.248 325 D C 0.037 176.382 176.300 0.076 0.000 1.086 325 D CA -0.350 53.694 54.000 0.073 0.000 0.948 325 D CB 0.931 41.794 40.800 0.105 0.000 1.162 325 D HN 0.439 nan 8.370 nan 0.000 0.446 326 N N -0.272 118.482 118.700 0.089 0.000 2.453 326 N HA 0.067 4.807 4.740 -0.001 0.000 0.253 326 N C -0.390 175.207 175.510 0.144 0.000 1.252 326 N CA -0.243 52.866 53.050 0.098 0.000 0.917 326 N CB 0.613 39.155 38.487 0.092 0.000 1.117 326 N HN 0.070 nan 8.380 nan 0.000 0.442 327 V N 1.291 121.294 119.914 0.148 0.000 2.479 327 V HA -0.025 4.094 4.120 -0.001 0.000 0.281 327 V C 0.358 176.615 176.094 0.272 0.000 1.031 327 V CA -0.171 62.257 62.300 0.213 0.000 1.038 327 V CB 0.582 32.537 31.823 0.220 0.000 0.981 327 V HN 0.555 nan 8.190 nan 0.000 0.478 328 D N 4.325 124.974 120.400 0.416 0.000 2.412 328 D HA 0.280 4.919 4.640 -0.001 0.000 0.224 328 D C 0.889 177.424 176.300 0.391 0.000 1.093 328 D CA -0.230 53.963 54.000 0.322 0.000 0.850 328 D CB 1.169 42.100 40.800 0.218 0.000 1.046 328 D HN 0.406 nan 8.370 nan 0.000 0.507 329 L N 2.888 124.302 121.223 0.319 0.000 2.191 329 L HA 0.008 4.348 4.340 -0.001 0.000 0.212 329 L C 2.273 179.422 176.870 0.466 0.000 1.103 329 L CA 1.103 56.179 54.840 0.393 0.000 0.769 329 L CB -0.111 42.126 42.059 0.296 0.000 0.908 329 L HN 0.530 nan 8.230 nan 0.000 0.438 330 G N -0.545 108.446 108.800 0.318 0.000 2.484 330 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.218 330 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.218 330 G C 1.592 176.645 174.900 0.254 0.000 1.130 330 G CA 0.625 45.868 45.100 0.238 0.000 0.784 330 G HN 0.451 nan 8.290 nan 0.000 0.543 331 A N -0.177 122.756 122.820 0.188 0.000 2.208 331 A HA 0.425 4.745 4.320 -0.001 0.000 0.209 331 A C 0.924 178.583 177.584 0.125 0.000 1.161 331 A CA -0.158 51.885 52.037 0.010 0.000 0.782 331 A CB -0.100 18.654 19.000 -0.410 0.000 0.816 331 A HN 0.325 nan 8.150 nan 0.000 0.477 332 I N 0.987 121.733 120.570 0.293 0.000 2.395 332 I HA 0.387 4.557 4.170 -0.001 0.000 0.289 332 I C -0.310 175.868 176.117 0.101 0.000 1.023 332 I CA -0.465 60.997 61.300 0.269 0.000 1.350 332 I CB 0.683 38.876 38.000 0.321 0.000 1.409 332 I HN 0.485 nan 8.210 nan 0.000 0.507 333 Y N 3.213 123.495 120.300 -0.031 0.000 2.625 333 Y HA 0.674 5.224 4.550 -0.001 0.000 0.338 333 Y C -1.209 174.580 175.900 -0.184 0.000 1.123 333 Y CA -1.327 56.689 58.100 -0.139 0.000 1.046 333 Y CB 1.077 39.502 38.460 -0.060 0.000 1.299 333 Y HN 0.400 nan 8.280 nan 0.000 0.464 334 E N 1.436 121.614 120.200 -0.037 0.000 2.199 334 E HA 0.321 4.671 4.350 -0.001 0.000 0.269 334 E C -1.547 175.077 176.600 0.040 0.000 0.899 334 E CA -0.999 55.328 56.400 -0.121 0.000 0.772 334 E CB 1.866 31.446 29.700 -0.199 0.000 1.155 334 E HN 0.563 nan 8.360 nan 0.000 0.408 335 D N 0.870 121.288 120.400 0.030 0.000 2.268 335 D HA 0.256 4.896 4.640 -0.001 0.000 0.249 335 D C 0.329 176.645 176.300 0.028 0.000 1.008 335 D CA -0.358 53.686 54.000 0.074 0.000 0.939 335 D CB 2.034 42.906 40.800 0.119 0.000 1.170 335 D HN 0.238 nan 8.370 nan 0.000 0.468 336 V N -1.113 118.827 119.914 0.043 0.000 3.337 336 V HA 0.232 4.352 4.120 -0.001 0.000 0.307 336 V C 1.651 177.775 176.094 0.049 0.000 1.505 336 V CA -0.327 62.018 62.300 0.076 0.000 1.072 336 V CB 0.127 32.019 31.823 0.115 0.000 0.929 336 V HN 0.385 nan 8.190 nan 0.000 0.455 337 K N 0.901 121.301 120.400 -0.002 0.000 2.059 337 K HA -0.167 4.153 4.320 -0.001 0.000 0.212 337 K C 1.149 177.517 176.600 -0.385 0.000 1.050 337 K CA 2.627 58.816 56.287 -0.164 0.000 0.927 337 K CB -0.266 32.111 32.500 -0.204 0.000 0.714 337 K HN 0.667 nan 8.250 nan 0.000 0.447 338 Y N 0.056 120.255 120.300 -0.169 0.000 2.658 338 Y HA 0.273 4.823 4.550 -0.001 0.000 0.276 338 Y C -0.179 175.397 175.900 -0.539 0.000 1.167 338 Y CA -0.655 57.224 58.100 -0.369 0.000 1.230 338 Y CB 0.854 39.108 38.460 -0.343 0.000 1.144 338 Y HN -0.121 nan 8.280 nan 0.000 0.529 339 S N -1.191 114.389 115.700 -0.200 0.000 2.607 339 S HA 0.243 4.713 4.470 -0.001 0.000 0.303 339 S C -0.677 173.717 174.600 -0.343 0.000 1.086 339 S CA -0.817 57.214 58.200 -0.283 0.000 0.995 339 S CB 1.053 64.304 63.200 0.086 0.000 1.084 339 S HN 0.283 nan 8.310 nan 0.000 0.507 340 W N 2.804 123.702 121.300 -0.671 0.000 1.564 340 W HA 0.320 4.979 4.660 -0.001 0.000 0.448 340 W C -1.034 174.817 176.519 -1.114 0.000 0.601 340 W CA -0.496 56.248 57.345 -1.002 0.000 2.326 340 W CB -1.263 27.198 29.460 -1.664 0.000 1.355 340 W HN 0.561 nan 8.180 nan 0.000 0.382 341 Y N 0.184 120.439 120.300 -0.075 0.000 2.630 341 Y HA 0.593 5.142 4.550 -0.001 0.000 0.337 341 Y C 0.601 176.454 175.900 -0.079 0.000 1.051 341 Y CA -1.916 56.159 58.100 -0.041 0.000 1.121 341 Y CB 0.179 38.640 38.460 0.002 0.000 1.299 341 Y HN -0.010 nan 8.280 nan 0.000 0.498 342 A N 2.869 125.762 122.820 0.121 0.000 2.531 342 A HA 0.275 4.594 4.320 -0.001 0.000 0.236 342 A C -2.321 175.273 177.584 0.017 0.000 1.062 342 A CA -0.977 51.077 52.037 0.029 0.000 0.760 342 A CB -0.890 18.134 19.000 0.040 0.000 0.995 342 A HN 0.427 nan 8.150 nan 0.000 0.501 343 P HA 0.307 nan 4.420 nan 0.000 0.271 343 P C 0.589 177.889 177.300 0.000 0.000 1.216 343 P CA 1.247 64.341 63.100 -0.009 0.000 0.776 343 P CB 0.761 32.447 31.700 -0.022 0.000 0.881 344 G N 1.805 110.606 108.800 0.002 0.000 2.165 344 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.226 344 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.226 344 G C 0.645 175.544 174.900 -0.002 0.000 1.035 344 G CA -0.181 44.917 45.100 -0.004 0.000 0.744 344 G HN 0.857 nan 8.290 nan 0.000 0.501 345 G N -0.650 108.153 108.800 0.005 0.000 3.502 345 G HA2 0.398 4.357 3.960 -0.001 0.000 0.267 345 G HA3 0.398 4.357 3.960 -0.001 0.000 0.267 345 G C 0.159 175.054 174.900 -0.008 0.000 1.090 345 G CA 0.229 45.326 45.100 -0.005 0.000 0.795 345 G HN 0.409 nan 8.290 nan 0.000 0.535 346 D N 0.579 120.978 120.400 -0.002 0.000 2.423 346 D HA 0.367 5.007 4.640 -0.001 0.000 0.238 346 D C 1.430 177.723 176.300 -0.013 0.000 1.142 346 D CA 1.272 55.277 54.000 0.009 0.000 0.884 346 D CB 1.122 41.923 40.800 0.002 0.000 1.199 346 D HN 0.269 nan 8.370 nan 0.000 0.438 347 G N 1.878 110.690 108.800 0.021 0.000 2.249 347 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.273 347 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.273 347 G C 0.081 174.946 174.900 -0.059 0.000 1.036 347 G CA 0.060 45.082 45.100 -0.130 0.000 0.824 347 G HN 0.345 nan 8.290 nan 0.000 0.504 348 K N 0.710 121.126 120.400 0.028 0.000 2.276 348 K HA 0.213 4.532 4.320 -0.001 0.000 0.285 348 K C 0.566 177.178 176.600 0.019 0.000 1.062 348 K CA -0.656 55.636 56.287 0.008 0.000 0.918 348 K CB 0.753 33.237 32.500 -0.027 0.000 1.055 348 K HN 0.518 nan 8.250 nan 0.000 0.477 349 H N 4.427 123.457 119.070 -0.066 0.000 2.790 349 H HA 0.020 4.575 4.556 -0.001 0.000 0.358 349 H C -1.682 173.464 175.328 -0.304 0.000 1.103 349 H CA -1.100 54.850 56.048 -0.164 0.000 1.426 349 H CB 1.244 30.936 29.762 -0.116 0.000 1.424 349 H HN 0.225 nan 8.280 nan 0.000 0.599 350 P HA -0.146 nan 4.420 nan 0.000 0.219 350 P C 0.867 177.934 177.300 -0.389 0.000 1.146 350 P CA 1.051 63.631 63.100 -0.866 0.000 0.808 350 P CB -0.066 30.533 31.700 -1.834 0.000 0.779 351 Y N 0.250 120.487 120.300 -0.105 0.000 2.403 351 Y HA -0.124 4.426 4.550 -0.001 0.000 0.291 351 Y C 1.249 177.173 175.900 0.039 0.000 1.143 351 Y CA 0.779 58.938 58.100 0.099 0.000 1.257 351 Y CB -0.838 37.749 38.460 0.212 0.000 0.984 351 Y HN 0.077 nan 8.280 nan 0.000 0.550 352 D N -0.995 119.508 120.400 0.171 0.000 2.501 352 D HA 0.156 4.796 4.640 -0.001 0.000 0.226 352 D C 0.938 177.251 176.300 0.022 0.000 1.198 352 D CA 0.098 54.148 54.000 0.084 0.000 0.830 352 D CB -0.074 40.769 40.800 0.071 0.000 1.014 352 D HN 0.129 nan 8.370 nan 0.000 0.496 353 G N 0.598 109.389 108.800 -0.015 0.000 2.391 353 G HA2 0.259 4.218 3.960 -0.001 0.000 0.234 353 G HA3 0.259 4.218 3.960 -0.001 0.000 0.234 353 G C 0.078 174.967 174.900 -0.018 0.000 1.284 353 G CA 0.134 45.202 45.100 -0.053 0.000 0.873 353 G HN 0.049 nan 8.290 nan 0.000 0.549 354 V N 1.613 121.503 119.914 -0.040 0.000 2.638 354 V HA 0.563 4.683 4.120 -0.001 0.000 0.306 354 V C -0.114 175.943 176.094 -0.063 0.000 1.052 354 V CA -0.655 61.630 62.300 -0.024 0.000 0.885 354 V CB 2.415 34.228 31.823 -0.018 0.000 0.999 354 V HN 0.840 nan 8.190 nan 0.000 0.424 355 T N 2.679 117.230 114.554 -0.005 0.000 3.009 355 T HA 0.335 4.684 4.350 -0.001 0.000 0.346 355 T C -1.015 173.769 174.700 0.140 0.000 1.092 355 T CA -0.318 61.786 62.100 0.007 0.000 1.080 355 T CB 0.541 69.478 68.868 0.115 0.000 1.037 355 T HN 0.700 nan 8.240 nan 0.000 0.487 356 D N 4.370 124.882 120.400 0.187 0.000 2.378 356 D HA 0.289 4.929 4.640 -0.001 0.000 0.265 356 D C -2.507 173.967 176.300 0.291 0.000 1.229 356 D CA -2.112 52.005 54.000 0.195 0.000 0.914 356 D CB 1.553 42.422 40.800 0.115 0.000 1.140 356 D HN 0.144 nan 8.370 nan 0.000 0.516 357 P HA 0.163 nan 4.420 nan 0.000 0.271 357 P C -0.606 176.709 177.300 0.026 0.000 1.216 357 P CA -0.215 62.920 63.100 0.058 0.000 0.771 357 P CB 0.786 32.330 31.700 -0.261 0.000 0.864 358 K N 3.737 124.094 120.400 -0.073 0.000 2.716 358 K HA 0.206 4.526 4.320 -0.001 0.000 0.249 358 K C -1.471 175.019 176.600 -0.185 0.000 1.004 358 K CA -0.721 55.518 56.287 -0.080 0.000 0.968 358 K CB 0.729 33.179 32.500 -0.082 0.000 1.214 358 K HN 0.287 nan 8.250 nan 0.000 0.476 359 Y N 2.722 122.834 120.300 -0.314 0.000 2.326 359 Y HA 0.078 4.628 4.550 -0.001 0.000 0.333 359 Y C 1.162 176.851 175.900 -0.352 0.000 1.240 359 Y CA 1.191 58.916 58.100 -0.626 0.000 1.365 359 Y CB 1.230 39.380 38.460 -0.516 0.000 1.289 359 Y HN 0.777 nan 8.280 nan 0.000 0.548 360 T N 1.209 115.281 114.554 -0.804 0.000 3.330 360 T HA 0.375 4.725 4.350 -0.001 0.000 0.185 360 T C -0.437 174.082 174.700 -0.301 0.000 0.874 360 T CA 0.157 62.084 62.100 -0.288 0.000 1.268 360 T CB 0.208 69.054 68.868 -0.037 0.000 1.866 360 T HN 0.657 nan 8.240 nan 0.000 0.395 361 K N -0.362 119.894 120.400 -0.240 0.000 2.578 361 K HA 0.638 4.957 4.320 -0.001 0.000 0.287 361 K C -1.668 174.980 176.600 0.080 0.000 1.010 361 K CA -1.041 55.213 56.287 -0.055 0.000 0.889 361 K CB 1.312 33.851 32.500 0.065 0.000 1.514 361 K HN 0.287 nan 8.250 nan 0.000 0.424 362 L N 1.982 123.308 121.223 0.171 0.000 2.467 362 L HA 0.131 4.471 4.340 -0.001 0.000 0.270 362 L C 0.067 177.006 176.870 0.114 0.000 1.205 362 L CA 1.640 56.609 54.840 0.215 0.000 0.828 362 L CB 0.003 42.174 42.059 0.187 0.000 1.101 362 L HN 0.964 nan 8.230 nan 0.000 0.479 363 D N -0.675 119.768 120.400 0.070 0.000 2.830 363 D HA -0.243 4.396 4.640 -0.001 0.000 0.209 363 D C 0.188 176.428 176.300 -0.102 0.000 1.315 363 D CA 1.456 55.424 54.000 -0.054 0.000 1.965 363 D CB -1.108 39.660 40.800 -0.053 0.000 1.343 363 D HN 0.811 nan 8.370 nan 0.000 0.542 364 D N 1.596 121.989 120.400 -0.011 0.000 2.854 364 D HA -0.070 4.569 4.640 -0.001 0.000 0.243 364 D C 0.972 177.238 176.300 -0.056 0.000 1.243 364 D CA 0.599 54.590 54.000 -0.015 0.000 0.883 364 D CB 0.598 41.438 40.800 0.065 0.000 1.145 364 D HN -0.003 nan 8.370 nan 0.000 0.555 365 K N 2.386 122.722 120.400 -0.107 0.000 2.439 365 K HA -0.011 4.308 4.320 -0.001 0.000 0.197 365 K C 0.844 177.540 176.600 0.159 0.000 1.041 365 K CA 0.492 56.726 56.287 -0.089 0.000 0.970 365 K CB 0.258 32.668 32.500 -0.150 0.000 0.773 365 K HN 0.436 nan 8.250 nan 0.000 0.479 366 D N -0.715 119.690 120.400 0.009 0.000 2.271 366 D HA -0.016 4.624 4.640 -0.001 0.000 0.206 366 D C -0.177 175.692 176.300 -0.719 0.000 0.967 366 D CA 0.755 54.597 54.000 -0.263 0.000 0.867 366 D CB 0.339 40.926 40.800 -0.355 0.000 0.960 366 D HN 0.241 nan 8.370 nan 0.000 0.509 367 H N -0.262 118.733 119.070 -0.125 0.000 3.240 367 H HA 0.114 4.669 4.556 -0.001 0.000 0.326 367 H C -0.709 174.060 175.328 -0.931 0.000 1.015 367 H CA -0.372 55.368 56.048 -0.513 0.000 1.504 367 H CB 0.435 29.917 29.762 -0.467 0.000 1.754 367 H HN 0.098 nan 8.280 nan 0.000 0.505 368 Y N 0.623 120.293 120.300 -1.050 0.000 2.728 368 Y HA 0.528 5.077 4.550 -0.000 0.000 0.256 368 Y C -0.175 174.958 175.900 -1.278 0.000 1.112 368 Y CA -0.609 56.804 58.100 -1.147 0.000 1.240 368 Y CB 0.803 39.018 38.460 -0.408 0.000 1.337 368 Y HN 0.308 nan 8.280 nan 0.000 0.559 369 S N -0.832 113.975 115.700 -1.488 0.000 2.556 369 S HA 0.286 4.756 4.470 -0.001 0.000 0.271 369 S C -1.077 173.350 174.600 -0.289 0.000 1.135 369 S CA -0.670 57.155 58.200 -0.625 0.000 0.858 369 S CB 0.409 63.416 63.200 -0.322 0.000 1.114 369 S HN 0.407 nan 8.310 nan 0.000 0.468 370 W N 2.326 123.790 121.300 0.273 0.000 3.003 370 W HA 0.321 4.981 4.660 -0.000 0.000 0.257 370 W C 0.896 177.599 176.519 0.307 0.000 1.308 370 W CA -0.376 57.153 57.345 0.306 0.000 1.529 370 W CB 0.256 29.965 29.460 0.415 0.000 1.115 370 W HN 0.305 nan 8.180 nan 0.000 0.659 371 M N 1.744 121.573 119.600 0.382 0.000 2.217 371 M HA 0.098 4.577 4.480 -0.001 0.000 0.354 371 M C 0.593 177.024 176.300 0.218 0.000 1.225 371 M CA 0.433 55.889 55.300 0.260 0.000 1.137 371 M CB 0.721 33.408 32.600 0.144 0.000 1.576 371 M HN -0.181 nan 8.290 nan 0.000 0.461 372 K N 1.539 122.044 120.400 0.175 0.000 2.156 372 K HA 0.434 4.754 4.320 -0.001 0.000 0.242 372 K C -0.142 176.429 176.600 -0.049 0.000 1.033 372 K CA -0.380 55.930 56.287 0.039 0.000 0.878 372 K CB 0.426 32.877 32.500 -0.083 0.000 1.057 372 K HN 0.747 nan 8.250 nan 0.000 0.505 373 A N 2.498 125.265 122.820 -0.089 0.000 2.399 373 A HA 0.369 4.688 4.320 -0.001 0.000 0.327 373 A C -2.489 174.943 177.584 -0.253 0.000 1.367 373 A CA -1.754 50.203 52.037 -0.132 0.000 0.842 373 A CB 0.286 19.247 19.000 -0.064 0.000 1.142 373 A HN 0.290 nan 8.150 nan 0.000 0.495 374 P HA 0.466 nan 4.420 nan 0.000 0.280 374 P C -0.578 176.338 177.300 -0.640 0.000 1.244 374 P CA -0.185 62.420 63.100 -0.825 0.000 0.784 374 P CB 0.902 31.591 31.700 -1.684 0.000 0.913 375 R N 2.227 122.367 120.500 -0.601 0.000 2.771 375 R HA 0.444 4.784 4.340 -0.001 0.000 0.274 375 R C -1.453 174.718 176.300 -0.214 0.000 0.987 375 R CA -0.846 55.056 56.100 -0.331 0.000 0.908 375 R CB 1.720 31.688 30.300 -0.555 0.000 1.213 375 R HN 0.496 nan 8.270 nan 0.000 0.468 376 Y N 1.616 121.929 120.300 0.023 0.000 2.376 376 Y HA 0.205 4.755 4.550 -0.001 0.000 0.326 376 Y C -0.146 175.833 175.900 0.131 0.000 0.970 376 Y CA -0.469 57.704 58.100 0.122 0.000 1.248 376 Y CB 0.736 39.284 38.460 0.146 0.000 1.117 376 Y HN 0.720 nan 8.280 nan 0.000 0.476 377 K N 4.597 124.975 120.400 -0.038 0.000 3.150 377 K HA -0.206 4.114 4.320 -0.001 0.000 0.267 377 K C 0.828 177.527 176.600 0.165 0.000 1.028 377 K CA 0.999 57.309 56.287 0.038 0.000 0.753 377 K CB -1.441 30.981 32.500 -0.130 0.000 1.288 377 K HN 1.299 nan 8.250 nan 0.000 0.473 378 G N -0.074 108.917 108.800 0.318 0.000 2.179 378 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.257 378 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.257 378 G C -0.208 174.782 174.900 0.150 0.000 1.010 378 G CA 1.013 46.274 45.100 0.268 0.000 0.736 378 G HN 0.358 nan 8.290 nan 0.000 0.513 379 K N -0.095 120.389 120.400 0.140 0.000 2.324 379 K HA 0.709 5.029 4.320 -0.001 0.000 0.253 379 K C 0.301 176.984 176.600 0.139 0.000 0.932 379 K CA -0.228 56.133 56.287 0.124 0.000 0.799 379 K CB 2.102 34.684 32.500 0.137 0.000 1.154 379 K HN 0.427 nan 8.250 nan 0.000 0.425 380 A N 3.748 126.622 122.820 0.091 0.000 2.388 380 A HA 0.495 4.814 4.320 -0.001 0.000 0.257 380 A C -0.309 177.330 177.584 0.091 0.000 1.095 380 A CA -0.119 51.988 52.037 0.117 0.000 0.791 380 A CB 0.271 19.300 19.000 0.049 0.000 1.029 380 A HN 0.570 nan 8.150 nan 0.000 0.489 381 M N 1.849 121.535 119.600 0.144 0.000 2.326 381 M HA 0.308 4.787 4.480 -0.001 0.000 0.306 381 M C -0.329 175.956 176.300 -0.025 0.000 1.054 381 M CA -0.236 55.029 55.300 -0.058 0.000 0.922 381 M CB 1.693 34.099 32.600 -0.325 0.000 1.632 381 M HN 0.949 nan 8.290 nan 0.000 0.436 382 E N 2.795 122.954 120.200 -0.069 0.000 2.313 382 E HA 0.518 4.867 4.350 -0.001 0.000 0.276 382 E C -1.052 175.589 176.600 0.068 0.000 1.031 382 E CA -0.580 55.876 56.400 0.094 0.000 0.857 382 E CB 1.204 31.010 29.700 0.175 0.000 1.040 382 E HN 0.549 nan 8.360 nan 0.000 0.408 383 V N 1.054 121.026 119.914 0.097 0.000 3.074 383 V HA 0.996 5.115 4.120 -0.001 0.000 0.314 383 V C 0.308 176.463 176.094 0.101 0.000 1.117 383 V CA 0.200 62.497 62.300 -0.005 0.000 1.014 383 V CB 1.022 32.725 31.823 -0.200 0.000 1.057 383 V HN 1.033 nan 8.190 nan 0.000 0.438 384 G N 2.020 110.854 108.800 0.058 0.000 2.409 384 G HA2 0.012 3.971 3.960 -0.001 0.000 0.421 384 G HA3 0.012 3.971 3.960 -0.001 0.000 0.421 384 G C -2.480 172.465 174.900 0.076 0.000 1.259 384 G CA -0.046 45.104 45.100 0.084 0.000 1.011 384 G HN 0.677 nan 8.290 nan 0.000 0.497 385 P HA -0.038 nan 4.420 nan 0.000 0.216 385 P C 2.277 179.555 177.300 -0.036 0.000 1.153 385 P CA 1.416 64.558 63.100 0.070 0.000 0.858 385 P CB 0.081 31.784 31.700 0.005 0.000 0.789 386 L N -0.353 120.818 121.223 -0.086 0.000 2.046 386 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 386 L C 2.257 178.986 176.870 -0.235 0.000 1.077 386 L CA 2.092 56.804 54.840 -0.213 0.000 0.747 386 L CB -1.592 40.393 42.059 -0.124 0.000 0.896 386 L HN -0.113 nan 8.230 nan 0.000 0.432 387 A N -0.592 122.215 122.820 -0.021 0.000 1.877 387 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 387 A C 2.440 179.973 177.584 -0.085 0.000 1.186 387 A CA 1.839 53.892 52.037 0.027 0.000 0.620 387 A CB -0.567 18.522 19.000 0.149 0.000 0.822 387 A HN 0.471 nan 8.150 nan 0.000 0.443 388 R N -1.088 119.362 120.500 -0.082 0.000 2.091 388 R HA -0.101 4.239 4.340 -0.001 0.000 0.238 388 R C 2.335 178.376 176.300 -0.433 0.000 1.136 388 R CA 1.847 57.852 56.100 -0.159 0.000 0.959 388 R CB -0.732 29.572 30.300 0.006 0.000 0.856 388 R HN 0.562 nan 8.270 nan 0.000 0.437 389 T N 0.807 115.131 114.554 -0.382 0.000 2.674 389 T HA -0.122 4.228 4.350 -0.001 0.000 0.265 389 T C 1.483 175.949 174.700 -0.390 0.000 1.039 389 T CA 1.330 63.163 62.100 -0.444 0.000 1.150 389 T CB -0.300 68.402 68.868 -0.277 0.000 0.864 389 T HN 0.050 nan 8.240 nan 0.000 0.427 390 F N 1.044 120.778 119.950 -0.360 0.000 2.126 390 F HA 0.003 4.529 4.527 -0.001 0.000 0.299 390 F C 2.188 177.870 175.800 -0.196 0.000 1.096 390 F CA 0.384 58.185 58.000 -0.332 0.000 1.255 390 F CB -0.796 37.866 39.000 -0.563 0.000 0.997 390 F HN 0.149 nan 8.300 nan 0.000 0.479 391 I N -0.710 119.839 120.570 -0.036 0.000 2.252 391 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 391 I C 2.565 178.616 176.117 -0.110 0.000 1.102 391 I CA 1.211 62.480 61.300 -0.052 0.000 1.385 391 I CB -0.709 37.251 38.000 -0.066 0.000 1.064 391 I HN 0.073 nan 8.210 nan 0.000 0.414 392 A N -0.093 122.546 122.820 -0.301 0.000 1.898 392 A HA -0.262 4.058 4.320 -0.001 0.000 0.216 392 A C 2.277 179.784 177.584 -0.129 0.000 1.181 392 A CA 1.326 53.144 52.037 -0.367 0.000 0.620 392 A CB -1.006 17.357 19.000 -1.062 0.000 0.819 392 A HN 0.469 nan 8.150 nan 0.000 0.442 393 Y N 0.558 120.745 120.300 -0.188 0.000 2.128 393 Y HA -0.160 4.390 4.550 -0.001 0.000 0.284 393 Y C 2.709 178.601 175.900 -0.013 0.000 1.154 393 Y CA 1.626 59.700 58.100 -0.044 0.000 1.149 393 Y CB -0.386 38.061 38.460 -0.021 0.000 0.976 393 Y HN 0.312 nan 8.280 nan 0.000 0.505 394 A N -0.033 122.894 122.820 0.177 0.000 1.972 394 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 394 A C 2.078 179.669 177.584 0.011 0.000 1.169 394 A CA 1.702 53.801 52.037 0.103 0.000 0.635 394 A CB -0.466 18.598 19.000 0.106 0.000 0.810 394 A HN 0.499 nan 8.150 nan 0.000 0.446 395 K N -1.427 118.967 120.400 -0.010 0.000 2.418 395 K HA 0.146 4.466 4.320 -0.001 0.000 0.195 395 K C 1.008 177.583 176.600 -0.041 0.000 1.035 395 K CA 0.503 56.778 56.287 -0.020 0.000 1.003 395 K CB -0.105 32.385 32.500 -0.016 0.000 0.793 395 K HN 0.669 nan 8.250 nan 0.000 0.494 396 G N 2.211 110.961 108.800 -0.084 0.000 2.160 396 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 396 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 396 G C -0.111 174.757 174.900 -0.053 0.000 1.022 396 G CA -0.130 44.903 45.100 -0.112 0.000 0.741 396 G HN 0.298 nan 8.290 nan 0.000 0.508 397 Q N -0.079 119.713 119.800 -0.013 0.000 2.264 397 Q HA 0.067 4.407 4.340 -0.001 0.000 0.296 397 Q C -0.783 175.259 176.000 0.069 0.000 1.103 397 Q CA -0.451 55.388 55.803 0.060 0.000 0.967 397 Q CB 0.854 29.660 28.738 0.113 0.000 1.090 397 Q HN 0.283 nan 8.270 nan 0.000 0.379 398 P HA -0.134 nan 4.420 nan 0.000 0.217 398 P C 0.340 177.635 177.300 -0.010 0.000 1.150 398 P CA 1.020 64.119 63.100 -0.001 0.000 0.832 398 P CB 0.376 32.073 31.700 -0.006 0.000 0.787 399 D N -1.292 119.107 120.400 -0.002 0.000 2.097 399 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 399 D C 1.807 178.010 176.300 -0.163 0.000 0.984 399 D CA 1.123 55.059 54.000 -0.107 0.000 0.826 399 D CB -0.968 39.733 40.800 -0.164 0.000 0.973 399 D HN 0.143 nan 8.370 nan 0.000 0.460 400 F N 1.343 121.230 119.950 -0.104 0.000 2.102 400 F HA -0.104 4.423 4.527 -0.001 0.000 0.298 400 F C 2.405 178.209 175.800 0.006 0.000 1.105 400 F CA 1.064 59.016 58.000 -0.079 0.000 1.239 400 F CB -0.206 38.740 39.000 -0.090 0.000 0.991 400 F HN -0.143 nan 8.300 nan 0.000 0.474 401 K N 0.659 121.130 120.400 0.119 0.000 2.074 401 K HA -0.285 4.035 4.320 -0.001 0.000 0.209 401 K C 2.188 178.802 176.600 0.023 0.000 1.048 401 K CA 1.812 58.070 56.287 -0.050 0.000 0.926 401 K CB -0.158 32.231 32.500 -0.184 0.000 0.713 401 K HN 0.148 nan 8.250 nan 0.000 0.444 402 K N 0.101 120.490 120.400 -0.018 0.000 1.973 402 K HA -0.118 4.202 4.320 -0.001 0.000 0.212 402 K C 1.881 178.452 176.600 -0.050 0.000 1.047 402 K CA 1.757 58.018 56.287 -0.044 0.000 0.937 402 K CB -0.010 32.444 32.500 -0.077 0.000 0.721 402 K HN -0.003 nan 8.250 nan 0.000 0.440 403 V N 0.514 120.370 119.914 -0.096 0.000 2.515 403 V HA -0.170 3.949 4.120 -0.001 0.000 0.250 403 V C 2.228 178.263 176.094 -0.098 0.000 1.058 403 V CA 1.310 63.529 62.300 -0.135 0.000 1.064 403 V CB -0.205 31.479 31.823 -0.232 0.000 0.675 403 V HN 0.154 nan 8.190 nan 0.000 0.461 404 V N 0.433 120.331 119.914 -0.027 0.000 2.427 404 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 404 V C 2.253 178.344 176.094 -0.006 0.000 1.051 404 V CA 1.970 64.252 62.300 -0.030 0.000 1.048 404 V CB -0.685 31.148 31.823 0.017 0.000 0.666 404 V HN 0.516 nan 8.190 nan 0.000 0.456 405 D N -0.542 119.896 120.400 0.063 0.000 2.178 405 D HA -0.154 4.486 4.640 -0.001 0.000 0.201 405 D C 2.031 178.319 176.300 -0.019 0.000 0.980 405 D CA 0.982 55.005 54.000 0.039 0.000 0.842 405 D CB -0.250 40.580 40.800 0.048 0.000 0.948 405 D HN 0.279 nan 8.370 nan 0.000 0.472 406 M N 0.746 120.318 119.600 -0.047 0.000 2.066 406 M HA -0.141 4.339 4.480 -0.001 0.000 0.259 406 M C 2.105 178.354 176.300 -0.084 0.000 1.074 406 M CA 1.167 56.424 55.300 -0.072 0.000 1.114 406 M CB -0.631 31.912 32.600 -0.095 0.000 1.306 406 M HN -0.127 nan 8.290 nan 0.000 0.411 407 V N 1.577 121.427 119.914 -0.108 0.000 2.250 407 V HA -0.330 3.790 4.120 -0.001 0.000 0.250 407 V C 2.596 178.630 176.094 -0.099 0.000 1.060 407 V CA 2.095 64.321 62.300 -0.123 0.000 1.030 407 V CB -0.829 30.899 31.823 -0.157 0.000 0.643 407 V HN 0.549 nan 8.190 nan 0.000 0.445 408 L N -0.304 120.868 121.223 -0.085 0.000 2.395 408 L HA 0.080 4.420 4.340 -0.001 0.000 0.218 408 L C 2.438 179.280 176.870 -0.047 0.000 1.130 408 L CA 0.975 55.775 54.840 -0.068 0.000 0.826 408 L CB -0.907 41.112 42.059 -0.067 0.000 0.941 408 L HN 0.440 nan 8.230 nan 0.000 0.451 409 G N 0.148 108.922 108.800 -0.045 0.000 2.454 409 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.214 409 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.214 409 G C 1.526 176.396 174.900 -0.049 0.000 1.217 409 G CA 0.057 45.133 45.100 -0.039 0.000 0.799 409 G HN 0.110 nan 8.290 nan 0.000 0.538 410 K N 0.231 120.595 120.400 -0.060 0.000 2.366 410 K HA -0.026 4.294 4.320 -0.001 0.000 0.202 410 K C 2.113 178.673 176.600 -0.068 0.000 1.045 410 K CA 0.739 56.987 56.287 -0.066 0.000 0.934 410 K CB -0.176 32.277 32.500 -0.078 0.000 0.746 410 K HN 0.361 nan 8.250 nan 0.000 0.470 411 L N -0.552 120.632 121.223 -0.065 0.000 2.638 411 L HA 0.101 4.441 4.340 -0.001 0.000 0.232 411 L C 0.750 177.592 176.870 -0.047 0.000 1.099 411 L CA -0.215 54.590 54.840 -0.059 0.000 0.883 411 L CB 0.263 42.288 42.059 -0.057 0.000 1.136 411 L HN -0.042 nan 8.230 nan 0.000 0.492 412 S N 0.924 116.599 115.700 -0.042 0.000 3.628 412 S HA -0.122 4.348 4.470 -0.001 0.000 0.373 412 S C -0.177 174.410 174.600 -0.022 0.000 0.968 412 S CA 0.476 58.657 58.200 -0.031 0.000 1.215 412 S CB -1.355 61.825 63.200 -0.034 0.000 0.912 412 S HN 0.307 nan 8.310 nan 0.000 0.495 413 V N -0.648 119.253 119.914 -0.021 0.000 2.914 413 V HA 0.969 5.089 4.120 -0.001 0.000 0.314 413 V C -2.251 173.838 176.094 -0.008 0.000 1.084 413 V CA -2.122 60.173 62.300 -0.010 0.000 0.963 413 V CB 1.716 33.536 31.823 -0.005 0.000 1.025 413 V HN 0.253 nan 8.190 nan 0.000 0.432 414 P HA 0.411 nan 4.420 nan 0.000 0.276 414 P C 0.819 178.121 177.300 0.003 0.000 1.252 414 P CA 0.071 63.179 63.100 0.013 0.000 0.802 414 P CB 1.354 33.071 31.700 0.028 0.000 1.035 415 A N 1.555 124.373 122.820 -0.003 0.000 1.958 415 A HA -0.232 4.088 4.320 -0.001 0.000 0.221 415 A C 1.981 179.592 177.584 0.045 0.000 1.178 415 A CA 2.836 54.846 52.037 -0.045 0.000 0.642 415 A CB -2.198 16.777 19.000 -0.042 0.000 0.816 415 A HN 0.716 nan 8.150 nan 0.000 0.453 416 T N -2.484 112.133 114.554 0.105 0.000 2.977 416 T HA 0.142 4.491 4.350 -0.001 0.000 0.271 416 T C 1.619 176.438 174.700 0.199 0.000 1.105 416 T CA 1.358 63.584 62.100 0.209 0.000 1.116 416 T CB -0.434 68.524 68.868 0.150 0.000 0.878 416 T HN 0.662 nan 8.240 nan 0.000 0.509 417 A N 0.878 123.761 122.820 0.104 0.000 2.209 417 A HA 0.383 4.702 4.320 -0.001 0.000 0.212 417 A C 2.195 179.825 177.584 0.078 0.000 1.158 417 A CA 0.328 52.419 52.037 0.090 0.000 0.742 417 A CB -0.714 18.317 19.000 0.051 0.000 0.790 417 A HN 0.584 nan 8.150 nan 0.000 0.472 418 L N -0.718 120.528 121.223 0.039 0.000 2.395 418 L HA -0.039 4.301 4.340 -0.001 0.000 0.218 418 L C 0.602 177.513 176.870 0.068 0.000 1.130 418 L CA 0.275 55.070 54.840 -0.074 0.000 0.826 418 L CB -0.399 41.450 42.059 -0.349 0.000 0.941 418 L HN 0.401 nan 8.230 nan 0.000 0.451 419 H N 0.964 120.238 119.070 0.340 0.000 2.998 419 H HA 0.245 4.801 4.556 -0.001 0.000 0.241 419 H C 0.201 175.651 175.328 0.204 0.000 1.852 419 H CA 0.293 56.539 56.048 0.329 0.000 1.419 419 H CB -0.134 29.756 29.762 0.213 0.000 1.793 419 H HN 0.255 nan 8.280 nan 0.000 0.553 420 S N -0.433 115.417 115.700 0.250 0.000 2.636 420 S HA 0.085 4.554 4.470 -0.001 0.000 0.266 420 S C 0.914 175.619 174.600 0.176 0.000 1.147 420 S CA -0.565 57.756 58.200 0.202 0.000 0.815 420 S CB 1.205 64.517 63.200 0.186 0.000 1.119 420 S HN 0.145 nan 8.310 nan 0.000 0.470 421 T N 1.310 116.019 114.554 0.258 0.000 2.788 421 T HA -0.043 4.307 4.350 -0.001 0.000 0.268 421 T C 1.732 176.599 174.700 0.278 0.000 1.044 421 T CA 1.794 64.084 62.100 0.315 0.000 1.139 421 T CB -0.587 68.647 68.868 0.610 0.000 0.867 421 T HN 0.488 nan 8.240 nan 0.000 0.454 422 L N 1.153 122.550 121.223 0.289 0.000 2.046 422 L HA 0.074 4.414 4.340 -0.001 0.000 0.208 422 L C 2.544 179.425 176.870 0.018 0.000 1.077 422 L CA 1.829 56.747 54.840 0.130 0.000 0.747 422 L CB -1.072 41.088 42.059 0.168 0.000 0.896 422 L HN 0.305 nan 8.230 nan 0.000 0.432 423 G N -1.341 107.469 108.800 0.017 0.000 2.404 423 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.215 423 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.215 423 G C 1.779 176.603 174.900 -0.127 0.000 1.174 423 G CA 0.678 45.723 45.100 -0.091 0.000 0.780 423 G HN 0.351 nan 8.290 nan 0.000 0.537 424 R N -0.160 120.298 120.500 -0.071 0.000 2.117 424 R HA -0.110 4.229 4.340 -0.001 0.000 0.243 424 R C 2.593 178.857 176.300 -0.060 0.000 1.143 424 R CA 2.061 58.098 56.100 -0.104 0.000 0.968 424 R CB -0.399 29.805 30.300 -0.160 0.000 0.863 424 R HN 0.375 nan 8.270 nan 0.000 0.444 425 T N -0.012 114.552 114.554 0.018 0.000 2.812 425 T HA -0.004 4.346 4.350 -0.001 0.000 0.264 425 T C 1.810 176.484 174.700 -0.043 0.000 1.042 425 T CA 1.080 63.227 62.100 0.078 0.000 1.140 425 T CB -0.223 68.702 68.868 0.096 0.000 0.870 425 T HN 0.420 nan 8.240 nan 0.000 0.445 426 A N 1.632 124.380 122.820 -0.120 0.000 1.933 426 A HA 0.174 4.494 4.320 -0.001 0.000 0.218 426 A C 2.652 180.113 177.584 -0.205 0.000 1.175 426 A CA 1.764 53.688 52.037 -0.189 0.000 0.628 426 A CB -1.125 17.761 19.000 -0.190 0.000 0.814 426 A HN 0.494 nan 8.150 nan 0.000 0.444 427 A N -0.194 122.510 122.820 -0.194 0.000 1.908 427 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 427 A C 2.230 179.737 177.584 -0.130 0.000 1.181 427 A CA 1.906 53.833 52.037 -0.184 0.000 0.627 427 A CB -0.523 18.345 19.000 -0.221 0.000 0.818 427 A HN 0.567 nan 8.150 nan 0.000 0.445 428 R N -0.739 119.673 120.500 -0.146 0.000 2.105 428 R HA -0.125 4.215 4.340 -0.001 0.000 0.239 428 R C 2.201 178.416 176.300 -0.141 0.000 1.135 428 R CA 1.653 57.619 56.100 -0.224 0.000 0.967 428 R CB -0.595 29.554 30.300 -0.253 0.000 0.861 428 R HN 0.479 nan 8.270 nan 0.000 0.442 429 G N 0.430 109.097 108.800 -0.221 0.000 2.408 429 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.215 429 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.215 429 G C 1.431 176.094 174.900 -0.395 0.000 1.156 429 G CA 0.527 45.295 45.100 -0.553 0.000 0.793 429 G HN 0.236 nan 8.290 nan 0.000 0.535 430 I N 1.528 121.926 120.570 -0.286 0.000 2.091 430 I HA -0.270 3.900 4.170 -0.001 0.000 0.239 430 I C 2.967 178.942 176.117 -0.237 0.000 1.061 430 I CA 2.078 63.222 61.300 -0.259 0.000 1.317 430 I CB -0.277 37.597 38.000 -0.209 0.000 1.031 430 I HN 0.480 nan 8.210 nan 0.000 0.401 431 E N 0.295 120.448 120.200 -0.078 0.000 2.204 431 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 431 E C 1.860 178.593 176.600 0.221 0.000 0.989 431 E CA 1.772 58.205 56.400 0.054 0.000 0.824 431 E CB -0.497 29.438 29.700 0.391 0.000 0.756 431 E HN 0.405 nan 8.360 nan 0.000 0.477 432 T N 1.180 115.886 114.554 0.253 0.000 2.708 432 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 432 T C 2.075 176.819 174.700 0.072 0.000 1.037 432 T CA 1.597 63.868 62.100 0.284 0.000 1.146 432 T CB -0.392 68.713 68.868 0.395 0.000 0.865 432 T HN 0.432 nan 8.240 nan 0.000 0.435 433 A N 0.890 123.659 122.820 -0.085 0.000 1.978 433 A HA -0.019 4.300 4.320 -0.001 0.000 0.220 433 A C 2.267 179.755 177.584 -0.161 0.000 1.170 433 A CA 1.217 53.166 52.037 -0.148 0.000 0.636 433 A CB -0.746 18.119 19.000 -0.224 0.000 0.810 433 A HN 0.556 nan 8.150 nan 0.000 0.448 434 I N -1.018 119.437 120.570 -0.192 0.000 2.406 434 I HA -0.130 4.039 4.170 -0.001 0.000 0.249 434 I C 2.259 178.304 176.117 -0.120 0.000 1.122 434 I CA 0.516 61.676 61.300 -0.233 0.000 1.431 434 I CB -0.157 37.538 38.000 -0.508 0.000 1.087 434 I HN 0.131 nan 8.210 nan 0.000 0.424 435 V N 0.280 120.201 119.914 0.012 0.000 2.261 435 V HA -0.341 3.779 4.120 -0.001 0.000 0.246 435 V C 2.635 178.616 176.094 -0.188 0.000 1.047 435 V CA 1.897 64.147 62.300 -0.084 0.000 1.015 435 V CB -0.576 31.281 31.823 0.056 0.000 0.642 435 V HN 0.557 nan 8.190 nan 0.000 0.446 436 c N 0.324 118.869 118.600 -0.093 0.000 2.385 436 c HA -0.260 4.309 4.570 -0.001 0.000 0.275 436 c C 3.059 177.037 174.090 -0.185 0.000 1.207 436 c CA 1.218 57.483 56.329 -0.108 0.000 1.760 436 c CB -1.377 41.098 42.510 -0.059 0.000 2.051 436 c HN 0.656 nan 8.230 nan 0.000 0.467 437 A N -0.061 122.632 122.820 -0.212 0.000 2.125 437 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 437 A C 1.822 179.200 177.584 -0.343 0.000 1.156 437 A CA 1.564 53.459 52.037 -0.236 0.000 0.671 437 A CB -0.444 18.429 19.000 -0.212 0.000 0.794 437 A HN 0.781 nan 8.150 nan 0.000 0.459 438 N N -1.082 117.296 118.700 -0.536 0.000 2.282 438 N HA 0.055 4.794 4.740 -0.001 0.000 0.185 438 N C 1.285 176.241 175.510 -0.923 0.000 1.099 438 N CA 0.160 52.648 53.050 -0.937 0.000 0.878 438 N CB 0.020 37.516 38.487 -1.650 0.000 0.993 438 N HN 0.296 nan 8.380 nan 0.000 0.481 439 M N 1.273 120.577 119.600 -0.493 0.000 2.065 439 M HA -0.160 4.319 4.480 -0.001 0.000 0.259 439 M C 2.132 178.388 176.300 -0.074 0.000 1.069 439 M CA 1.492 56.688 55.300 -0.173 0.000 1.110 439 M CB -1.094 31.448 32.600 -0.096 0.000 1.328 439 M HN 0.192 nan 8.290 nan 0.000 0.405 440 E N 0.405 120.535 120.200 -0.117 0.000 2.077 440 E HA -0.229 4.121 4.350 -0.001 0.000 0.193 440 E C 2.120 178.695 176.600 -0.041 0.000 0.989 440 E CA 1.546 57.913 56.400 -0.054 0.000 0.800 440 E CB -0.006 29.654 29.700 -0.067 0.000 0.746 440 E HN 0.421 nan 8.360 nan 0.000 0.452 441 K N -0.155 120.167 120.400 -0.129 0.000 2.009 441 K HA -0.191 4.129 4.320 -0.001 0.000 0.210 441 K C 1.916 178.560 176.600 0.074 0.000 1.049 441 K CA 1.805 58.041 56.287 -0.087 0.000 0.929 441 K CB -0.250 32.132 32.500 -0.196 0.000 0.714 441 K HN 0.251 nan 8.250 nan 0.000 0.440 442 W N 1.118 122.406 121.300 -0.020 0.000 2.358 442 W HA -0.092 4.567 4.660 -0.000 0.000 0.303 442 W C 2.046 178.576 176.519 0.019 0.000 1.208 442 W CA 0.551 57.892 57.345 -0.008 0.000 1.274 442 W CB -0.862 28.581 29.460 -0.029 0.000 1.138 442 W HN 0.117 nan 8.180 nan 0.000 0.515 443 I N 0.269 121.001 120.570 0.271 0.000 2.226 443 I HA -0.323 3.847 4.170 -0.001 0.000 0.245 443 I C 2.608 178.798 176.117 0.122 0.000 1.100 443 I CA 1.510 62.927 61.300 0.196 0.000 1.374 443 I CB -0.623 37.501 38.000 0.207 0.000 1.057 443 I HN -0.114 nan 8.210 nan 0.000 0.413 444 K N 0.849 121.309 120.400 0.100 0.000 2.057 444 K HA -0.254 4.065 4.320 -0.001 0.000 0.207 444 K C 2.085 178.727 176.600 0.070 0.000 1.049 444 K CA 1.602 57.930 56.287 0.068 0.000 0.931 444 K CB -0.086 32.442 32.500 0.046 0.000 0.714 444 K HN 0.316 nan 8.250 nan 0.000 0.440 445 E N 0.380 120.638 120.200 0.097 0.000 2.058 445 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 445 E C 2.053 178.692 176.600 0.064 0.000 0.997 445 E CA 1.454 57.908 56.400 0.090 0.000 0.801 445 E CB -0.039 29.741 29.700 0.133 0.000 0.746 445 E HN 0.305 nan 8.360 nan 0.000 0.450 446 M N -0.095 119.543 119.600 0.063 0.000 2.156 446 M HA -0.096 4.384 4.480 -0.001 0.000 0.264 446 M C 2.229 178.544 176.300 0.024 0.000 1.067 446 M CA 1.489 56.807 55.300 0.030 0.000 1.131 446 M CB -0.032 32.573 32.600 0.008 0.000 1.368 446 M HN 0.168 nan 8.290 nan 0.000 0.416 447 A N 0.622 123.461 122.820 0.032 0.000 1.892 447 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 447 A C 1.693 179.293 177.584 0.027 0.000 1.188 447 A CA 2.387 54.440 52.037 0.026 0.000 0.631 447 A CB -1.052 17.969 19.000 0.034 0.000 0.822 447 A HN 0.569 nan 8.150 nan 0.000 0.447 448 D N -1.000 119.418 120.400 0.031 0.000 2.149 448 D HA -0.060 4.579 4.640 -0.001 0.000 0.201 448 D C 2.282 178.599 176.300 0.028 0.000 0.972 448 D CA 1.353 55.370 54.000 0.028 0.000 0.835 448 D CB -0.374 40.444 40.800 0.030 0.000 0.966 448 D HN 0.417 nan 8.370 nan 0.000 0.476 449 S N 0.184 115.902 115.700 0.030 0.000 2.343 449 S HA -0.105 4.364 4.470 -0.001 0.000 0.219 449 S C 2.112 176.731 174.600 0.031 0.000 1.033 449 S CA 1.846 60.064 58.200 0.029 0.000 1.014 449 S CB -0.619 62.598 63.200 0.028 0.000 0.915 449 S HN 0.286 nan 8.310 nan 0.000 0.435 450 G N -0.132 108.686 108.800 0.031 0.000 2.625 450 G HA2 0.190 4.150 3.960 -0.001 0.000 0.214 450 G HA3 0.190 4.150 3.960 -0.001 0.000 0.214 450 G C 1.256 176.180 174.900 0.041 0.000 1.132 450 G CA 0.798 45.922 45.100 0.041 0.000 0.782 450 G HN 0.679 nan 8.290 nan 0.000 0.538 451 A N 0.001 122.840 122.820 0.032 0.000 2.044 451 A HA 0.324 4.644 4.320 -0.001 0.000 0.213 451 A C 2.177 179.776 177.584 0.025 0.000 1.169 451 A CA 1.046 53.100 52.037 0.027 0.000 0.724 451 A CB 0.062 19.076 19.000 0.023 0.000 0.840 451 A HN 0.305 nan 8.150 nan 0.000 0.463 452 K N -0.734 119.681 120.400 0.026 0.000 2.128 452 K HA 0.018 4.337 4.320 -0.001 0.000 0.202 452 K C -0.172 176.444 176.600 0.026 0.000 1.050 452 K CA 1.010 57.311 56.287 0.024 0.000 0.966 452 K CB 0.287 32.800 32.500 0.023 0.000 0.759 452 K HN 0.448 nan 8.250 nan 0.000 0.454 453 D N -0.378 120.042 120.400 0.033 0.000 2.947 453 D HA 0.025 4.664 4.640 -0.001 0.000 0.224 453 D C -1.318 175.016 176.300 0.057 0.000 1.230 453 D CA -0.471 53.553 54.000 0.040 0.000 0.871 453 D CB 1.270 42.092 40.800 0.037 0.000 1.671 453 D HN 0.188 nan 8.370 nan 0.000 0.507 454 N N 1.061 119.805 118.700 0.074 0.000 2.328 454 N HA 0.088 4.828 4.740 -0.001 0.000 0.247 454 N C -0.563 175.067 175.510 0.200 0.000 1.165 454 N CA -0.478 52.648 53.050 0.127 0.000 0.873 454 N CB 0.558 39.120 38.487 0.126 0.000 1.125 454 N HN 0.034 nan 8.380 nan 0.000 0.513 455 T N 0.941 115.580 114.554 0.142 0.000 2.928 455 T HA 0.070 4.419 4.350 -0.001 0.000 0.305 455 T C 0.517 175.293 174.700 0.127 0.000 1.035 455 T CA -0.010 62.184 62.100 0.157 0.000 1.145 455 T CB 1.438 70.364 68.868 0.097 0.000 0.963 455 T HN 0.228 nan 8.240 nan 0.000 0.545 456 L N 2.377 123.671 121.223 0.118 0.000 3.284 456 L HA 0.436 4.775 4.340 -0.001 0.000 0.294 456 L C -0.152 176.701 176.870 -0.028 0.000 1.183 456 L CA 0.209 55.030 54.840 -0.032 0.000 1.056 456 L CB 0.798 42.676 42.059 -0.303 0.000 1.513 456 L HN 0.749 nan 8.230 nan 0.000 0.601 457 C N 0.685 120.017 119.300 0.052 0.000 2.642 457 C HA 0.844 5.304 4.460 -0.001 0.000 0.344 457 C C 0.208 175.266 174.990 0.113 0.000 1.110 457 C CA -0.518 58.544 59.018 0.073 0.000 1.298 457 C CB 0.324 28.120 27.740 0.093 0.000 1.827 457 C HN 0.444 nan 8.230 nan 0.000 0.467 458 A N 5.149 128.040 122.820 0.118 0.000 2.302 458 A HA 0.660 4.980 4.320 -0.001 0.000 0.285 458 A C -0.241 177.475 177.584 0.219 0.000 1.105 458 A CA -0.357 51.763 52.037 0.137 0.000 0.816 458 A CB 0.475 19.540 19.000 0.109 0.000 1.067 458 A HN 0.900 nan 8.150 nan 0.000 0.489 459 K N 1.308 121.805 120.400 0.161 0.000 2.295 459 K HA 0.368 4.688 4.320 -0.001 0.000 0.270 459 K C -0.543 176.194 176.600 0.229 0.000 1.011 459 K CA 0.260 56.620 56.287 0.122 0.000 0.953 459 K CB 0.646 33.168 32.500 0.038 0.000 0.956 459 K HN 0.776 nan 8.250 nan 0.000 0.477 460 W N 0.797 122.103 121.300 0.010 0.000 3.005 460 W HA 0.462 5.122 4.660 0.000 0.000 0.343 460 W C -1.445 175.079 176.519 0.008 0.000 1.243 460 W CA -0.715 56.634 57.345 0.007 0.000 1.186 460 W CB 0.759 30.221 29.460 0.003 0.000 1.453 460 W HN 0.463 nan 8.180 nan 0.000 0.575 461 E N 1.402 121.751 120.200 0.249 0.000 2.293 461 E HA 0.348 4.697 4.350 -0.001 0.000 0.270 461 E C -0.943 175.868 176.600 0.352 0.000 0.879 461 E CA -1.352 55.086 56.400 0.064 0.000 0.756 461 E CB 2.945 32.659 29.700 0.024 0.000 1.208 461 E HN 0.305 nan 8.360 nan 0.000 0.428 462 M N 4.845 124.595 119.600 0.250 0.000 2.227 462 M HA 0.213 4.692 4.480 -0.001 0.000 0.349 462 M C -2.389 174.014 176.300 0.172 0.000 1.443 462 M CA -1.572 53.934 55.300 0.344 0.000 1.110 462 M CB 0.393 33.164 32.600 0.286 0.000 1.773 462 M HN 0.167 nan 8.290 nan 0.000 0.463 463 P HA 0.221 nan 4.420 nan 0.000 0.282 463 P C -0.118 177.223 177.300 0.068 0.000 1.259 463 P CA -0.284 62.868 63.100 0.087 0.000 0.826 463 P CB 0.718 32.460 31.700 0.069 0.000 1.064 464 E N 0.172 120.400 120.200 0.046 0.000 2.085 464 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 464 E C 0.161 176.781 176.600 0.032 0.000 0.994 464 E CA 1.612 58.034 56.400 0.036 0.000 0.801 464 E CB 0.209 29.923 29.700 0.024 0.000 0.743 464 E HN 0.573 nan 8.360 nan 0.000 0.453 465 E N -0.752 119.463 120.200 0.026 0.000 2.311 465 E HA 0.369 4.718 4.350 -0.001 0.000 0.281 465 E C -1.507 175.096 176.600 0.004 0.000 0.905 465 E CA -0.316 56.091 56.400 0.013 0.000 0.778 465 E CB 1.588 31.290 29.700 0.004 0.000 1.240 465 E HN -0.048 nan 8.360 nan 0.000 0.410 466 S N 2.555 118.252 115.700 -0.005 0.000 2.636 466 S HA 0.629 5.099 4.470 -0.001 0.000 0.266 466 S C -2.030 172.540 174.600 -0.050 0.000 1.147 466 S CA -0.871 57.314 58.200 -0.024 0.000 0.815 466 S CB 0.665 63.863 63.200 -0.002 0.000 1.119 466 S HN 0.517 nan 8.310 nan 0.000 0.470 467 K N 0.285 120.633 120.400 -0.086 0.000 2.482 467 K HA 0.857 5.177 4.320 -0.001 0.000 0.257 467 K C -0.392 176.195 176.600 -0.022 0.000 0.969 467 K CA -1.027 55.189 56.287 -0.119 0.000 0.842 467 K CB 1.814 34.051 32.500 -0.439 0.000 1.359 467 K HN 0.771 nan 8.250 nan 0.000 0.441 468 G N 0.249 109.110 108.800 0.103 0.000 2.704 468 G HA2 0.504 4.464 3.960 -0.001 0.000 0.293 468 G HA3 0.504 4.464 3.960 -0.001 0.000 0.293 468 G C -1.982 172.968 174.900 0.083 0.000 1.421 468 G CA -0.732 44.419 45.100 0.084 0.000 0.870 468 G HN 0.441 nan 8.290 nan 0.000 0.492 469 V N 0.223 120.062 119.914 -0.126 0.000 2.604 469 V HA 0.893 5.013 4.120 -0.001 0.000 0.305 469 V C 0.265 176.051 176.094 -0.514 0.000 1.043 469 V CA 0.028 62.006 62.300 -0.537 0.000 0.888 469 V CB 1.771 33.012 31.823 -0.970 0.000 0.995 469 V HN 1.312 nan 8.190 nan 0.000 0.429 470 G N 6.625 115.081 108.800 -0.573 0.000 2.422 470 G HA2 0.647 4.607 3.960 -0.001 0.000 0.317 470 G HA3 0.647 4.607 3.960 -0.001 0.000 0.317 470 G C -1.192 173.373 174.900 -0.558 0.000 1.210 470 G CA -0.586 44.226 45.100 -0.479 0.000 0.930 470 G HN 0.755 nan 8.290 nan 0.000 0.468 471 L N 1.601 122.480 121.223 -0.572 0.000 2.329 471 L HA 0.843 5.182 4.340 -0.001 0.000 0.279 471 L C 0.243 176.826 176.870 -0.479 0.000 1.014 471 L CA -0.869 53.645 54.840 -0.543 0.000 0.814 471 L CB 2.112 43.774 42.059 -0.660 0.000 1.257 471 L HN 0.629 nan 8.230 nan 0.000 0.424 472 A N 1.560 124.282 122.820 -0.164 0.000 2.549 472 A HA 0.557 4.877 4.320 -0.001 0.000 0.297 472 A C -1.673 175.966 177.584 0.092 0.000 1.061 472 A CA -0.571 51.394 52.037 -0.121 0.000 0.690 472 A CB 1.697 20.564 19.000 -0.220 0.000 1.287 472 A HN 0.672 nan 8.150 nan 0.000 0.402 473 D N 1.604 122.068 120.400 0.106 0.000 2.467 473 D HA 0.560 5.199 4.640 -0.001 0.000 0.220 473 D C 0.596 176.996 176.300 0.168 0.000 1.103 473 D CA 0.541 54.626 54.000 0.140 0.000 0.886 473 D CB 1.176 42.094 40.800 0.196 0.000 1.025 473 D HN 0.830 nan 8.370 nan 0.000 0.514 474 A N 3.975 126.843 122.820 0.080 0.000 2.327 474 A HA 0.339 4.659 4.320 -0.001 0.000 0.255 474 A C -1.222 176.319 177.584 -0.072 0.000 1.099 474 A CA -0.901 51.158 52.037 0.036 0.000 0.801 474 A CB 0.139 19.115 19.000 -0.039 0.000 1.062 474 A HN 0.391 nan 8.150 nan 0.000 0.496 475 P HA -0.159 nan 4.420 nan 0.000 0.217 475 P C 1.026 178.271 177.300 -0.093 0.000 1.148 475 P CA 1.608 64.396 63.100 -0.520 0.000 0.834 475 P CB 0.075 31.570 31.700 -0.342 0.000 0.783 476 R N -2.007 118.489 120.500 -0.006 0.000 2.312 476 R HA 0.401 4.740 4.340 -0.001 0.000 0.205 476 R C 1.022 177.370 176.300 0.081 0.000 0.904 476 R CA 0.444 56.582 56.100 0.063 0.000 1.052 476 R CB 0.371 30.728 30.300 0.095 0.000 1.014 476 R HN 0.219 nan 8.270 nan 0.000 0.503 477 G N -0.042 108.791 108.800 0.055 0.000 2.325 477 G HA2 0.123 4.083 3.960 -0.001 0.000 0.285 477 G HA3 0.123 4.083 3.960 -0.001 0.000 0.285 477 G C -1.412 173.470 174.900 -0.030 0.000 1.303 477 G CA -0.675 44.438 45.100 0.022 0.000 0.970 477 G HN 0.162 nan 8.290 nan 0.000 0.490 478 A N -0.490 122.199 122.820 -0.219 0.000 2.553 478 A HA 0.487 4.806 4.320 -0.001 0.000 0.258 478 A C 0.041 177.601 177.584 -0.041 0.000 1.069 478 A CA 1.058 52.811 52.037 -0.473 0.000 0.767 478 A CB 0.098 18.267 19.000 -1.385 0.000 0.997 478 A HN 2.123 nan 8.150 nan 0.000 0.512 479 L N 3.400 124.757 121.223 0.224 0.000 2.365 479 L HA 0.785 5.125 4.340 -0.001 0.000 0.273 479 L C -0.080 177.015 176.870 0.375 0.000 1.000 479 L CA 0.199 55.212 54.840 0.287 0.000 0.819 479 L CB 2.194 44.275 42.059 0.037 0.000 1.284 479 L HN 0.769 nan 8.230 nan 0.000 0.418 480 S N 2.285 118.212 115.700 0.378 0.000 2.572 480 S HA 0.595 5.064 4.470 -0.001 0.000 0.274 480 S C -1.049 173.669 174.600 0.196 0.000 1.150 480 S CA -0.739 57.519 58.200 0.096 0.000 0.944 480 S CB 0.851 64.111 63.200 0.101 0.000 1.071 480 S HN 0.773 nan 8.310 nan 0.000 0.479 481 H N 0.905 119.759 119.070 -0.362 0.000 2.469 481 H HA 0.475 5.031 4.556 -0.001 0.000 0.342 481 H C -1.482 173.448 175.328 -0.662 0.000 1.115 481 H CA -0.698 55.174 56.048 -0.292 0.000 1.204 481 H CB 1.245 30.925 29.762 -0.137 0.000 1.492 481 H HN 0.631 nan 8.280 nan 0.000 0.499 482 W N 4.091 125.095 121.300 -0.494 0.000 2.715 482 W HA 0.465 5.125 4.660 -0.001 0.000 0.331 482 W C -0.757 175.468 176.519 -0.490 0.000 1.031 482 W CA -0.518 56.581 57.345 -0.411 0.000 1.237 482 W CB 1.118 30.333 29.460 -0.409 0.000 1.378 482 W HN 0.311 nan 8.180 nan 0.000 0.454 483 I N 3.347 123.885 120.570 -0.054 0.000 2.509 483 I HA 0.534 4.704 4.170 -0.001 0.000 0.293 483 I C -0.447 175.739 176.117 0.116 0.000 1.020 483 I CA -1.262 59.989 61.300 -0.081 0.000 1.088 483 I CB 1.351 39.305 38.000 -0.076 0.000 1.267 483 I HN 0.390 nan 8.210 nan 0.000 0.430 484 R N 7.613 128.175 120.500 0.104 0.000 2.310 484 R HA 0.573 4.913 4.340 -0.001 0.000 0.324 484 R C -1.203 175.135 176.300 0.064 0.000 0.955 484 R CA -0.683 55.452 56.100 0.058 0.000 0.830 484 R CB 1.657 31.989 30.300 0.053 0.000 1.154 484 R HN 0.548 nan 8.270 nan 0.000 0.458 485 I N 3.139 123.733 120.570 0.041 0.000 2.359 485 I HA 0.327 4.496 4.170 -0.001 0.000 0.294 485 I C -0.013 176.123 176.117 0.031 0.000 0.987 485 I CA -0.349 60.980 61.300 0.049 0.000 1.225 485 I CB 1.410 39.443 38.000 0.054 0.000 1.366 485 I HN 0.323 nan 8.210 nan 0.000 0.466 486 K N 4.424 124.845 120.400 0.035 0.000 2.468 486 K HA 0.502 4.822 4.320 -0.001 0.000 0.252 486 K C 0.324 176.941 176.600 0.029 0.000 0.932 486 K CA -0.362 55.941 56.287 0.026 0.000 0.794 486 K CB 1.943 34.455 32.500 0.019 0.000 1.241 486 K HN 0.783 nan 8.250 nan 0.000 0.428 487 G N 3.607 112.423 108.800 0.026 0.000 2.249 487 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.273 487 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.273 487 G C 0.091 175.012 174.900 0.035 0.000 1.036 487 G CA 0.914 46.030 45.100 0.027 0.000 0.824 487 G HN 0.873 nan 8.290 nan 0.000 0.504 488 K N -2.548 117.879 120.400 0.045 0.000 3.274 488 K HA -0.211 4.108 4.320 -0.001 0.000 0.300 488 K C 0.698 177.335 176.600 0.063 0.000 1.230 488 K CA 1.895 58.219 56.287 0.062 0.000 0.884 488 K CB -0.600 31.937 32.500 0.062 0.000 1.242 488 K HN 0.522 nan 8.250 nan 0.000 0.467 489 K N 0.249 120.680 120.400 0.051 0.000 2.400 489 K HA 0.458 4.778 4.320 -0.001 0.000 0.246 489 K C 0.170 176.801 176.600 0.051 0.000 0.995 489 K CA -0.919 55.396 56.287 0.045 0.000 0.840 489 K CB 1.038 33.556 32.500 0.030 0.000 1.293 489 K HN 0.000 nan 8.250 nan 0.000 0.445 490 I N 2.117 122.717 120.570 0.049 0.000 2.581 490 I HA -0.113 4.056 4.170 -0.001 0.000 0.285 490 I C 1.138 177.293 176.117 0.064 0.000 1.129 490 I CA 0.455 61.802 61.300 0.079 0.000 1.397 490 I CB 0.304 38.349 38.000 0.074 0.000 1.399 490 I HN 0.560 nan 8.210 nan 0.000 0.537 491 D N 4.641 125.086 120.400 0.075 0.000 2.259 491 D HA -0.003 4.636 4.640 -0.001 0.000 0.216 491 D C 0.247 176.593 176.300 0.076 0.000 0.961 491 D CA 1.046 55.082 54.000 0.060 0.000 0.878 491 D CB 0.392 41.220 40.800 0.047 0.000 1.009 491 D HN 0.433 nan 8.370 nan 0.000 0.490 492 N N -1.047 117.719 118.700 0.109 0.000 2.308 492 N HA 0.313 5.053 4.740 -0.001 0.000 0.283 492 N C -2.089 173.540 175.510 0.199 0.000 1.105 492 N CA -0.581 52.547 53.050 0.129 0.000 0.840 492 N CB 1.178 39.728 38.487 0.105 0.000 1.633 492 N HN -0.073 nan 8.380 nan 0.000 0.476 493 F N 1.808 121.783 119.950 0.042 0.000 2.585 493 F HA 0.469 4.995 4.527 -0.001 0.000 0.319 493 F C -1.164 174.652 175.800 0.026 0.000 1.165 493 F CA -0.399 57.624 58.000 0.039 0.000 0.949 493 F CB 1.432 40.419 39.000 -0.022 0.000 1.218 493 F HN 0.235 nan 8.300 nan 0.000 0.453 494 Q N 5.947 125.733 119.800 -0.023 0.000 2.337 494 Q HA 0.492 4.832 4.340 -0.001 0.000 0.270 494 Q C -1.592 174.427 176.000 0.031 0.000 1.043 494 Q CA -0.967 54.864 55.803 0.048 0.000 0.794 494 Q CB 2.987 31.705 28.738 -0.034 0.000 1.281 494 Q HN 0.594 nan 8.270 nan 0.000 0.446 495 L N 1.847 123.052 121.223 -0.031 0.000 2.295 495 L HA 0.516 4.856 4.340 -0.001 0.000 0.285 495 L C -0.352 176.501 176.870 -0.028 0.000 1.035 495 L CA -0.600 54.140 54.840 -0.166 0.000 0.806 495 L CB 1.705 43.377 42.059 -0.645 0.000 1.214 495 L HN 0.259 nan 8.230 nan 0.000 0.426 496 V N 4.322 124.345 119.914 0.182 0.000 2.407 496 V HA 0.605 4.725 4.120 -0.001 0.000 0.291 496 V C -0.223 176.048 176.094 0.294 0.000 1.018 496 V CA -0.652 61.755 62.300 0.179 0.000 0.842 496 V CB 1.848 33.767 31.823 0.160 0.000 0.996 496 V HN 0.460 nan 8.190 nan 0.000 0.426 497 V N 6.716 126.781 119.914 0.252 0.000 2.815 497 V HA 0.423 4.542 4.120 -0.001 0.000 0.314 497 V C -1.471 174.841 176.094 0.364 0.000 1.064 497 V CA -1.731 60.764 62.300 0.325 0.000 0.952 497 V CB 2.233 34.270 31.823 0.356 0.000 1.020 497 V HN 0.564 nan 8.190 nan 0.000 0.439 498 P HA -0.155 nan 4.420 nan 0.000 0.216 498 P C 1.617 179.108 177.300 0.319 0.000 1.157 498 P CA 1.558 64.862 63.100 0.339 0.000 0.880 498 P CB 0.217 32.032 31.700 0.193 0.000 0.791 499 S N -1.203 114.651 115.700 0.256 0.000 2.447 499 S HA -0.081 4.388 4.470 -0.001 0.000 0.233 499 S C 1.804 176.514 174.600 0.183 0.000 1.006 499 S CA 1.567 59.895 58.200 0.213 0.000 0.957 499 S CB -1.083 62.238 63.200 0.203 0.000 0.773 499 S HN 0.325 nan 8.310 nan 0.000 0.507 500 T N 0.589 115.253 114.554 0.183 0.000 2.708 500 T HA -0.141 4.209 4.350 -0.001 0.000 0.266 500 T C 1.335 176.039 174.700 0.006 0.000 1.037 500 T CA 1.214 63.358 62.100 0.074 0.000 1.146 500 T CB -0.449 68.436 68.868 0.029 0.000 0.865 500 T HN 0.550 nan 8.240 nan 0.000 0.435 501 W N 2.012 123.347 121.300 0.059 0.000 2.335 501 W HA -0.085 4.575 4.660 -0.001 0.000 0.311 501 W C 2.524 179.034 176.519 -0.015 0.000 1.213 501 W CA 0.653 58.006 57.345 0.013 0.000 1.274 501 W CB -0.422 29.039 29.460 0.003 0.000 1.148 501 W HN 0.186 nan 8.180 nan 0.000 0.498 502 N N -0.536 118.304 118.700 0.233 0.000 2.207 502 N HA -0.014 4.726 4.740 -0.001 0.000 0.182 502 N C 1.319 176.748 175.510 -0.134 0.000 1.020 502 N CA 1.124 54.199 53.050 0.041 0.000 0.858 502 N CB -0.478 38.066 38.487 0.095 0.000 0.991 502 N HN 0.147 nan 8.380 nan 0.000 0.427 503 L N -0.152 121.046 121.223 -0.041 0.000 2.906 503 L HA 0.364 4.704 4.340 -0.001 0.000 0.255 503 L C 1.171 178.045 176.870 0.007 0.000 1.166 503 L CA -0.312 54.496 54.840 -0.053 0.000 0.977 503 L CB 0.624 42.688 42.059 0.009 0.000 1.313 503 L HN -0.051 nan 8.230 nan 0.000 0.549 504 G N 0.688 109.490 108.800 0.003 0.000 2.683 504 G HA2 0.287 4.247 3.960 -0.001 0.000 0.260 504 G HA3 0.287 4.247 3.960 -0.001 0.000 0.260 504 G C -2.401 172.482 174.900 -0.028 0.000 1.238 504 G CA -0.532 44.563 45.100 -0.008 0.000 0.934 504 G HN -0.092 nan 8.290 nan 0.000 0.534 505 P HA 0.293 nan 4.420 nan 0.000 0.306 505 P C -0.216 177.020 177.300 -0.107 0.000 1.309 505 P CA -0.847 62.159 63.100 -0.156 0.000 0.759 505 P CB 0.908 32.229 31.700 -0.631 0.000 1.314 506 R N -0.918 119.507 120.500 -0.125 0.000 2.756 506 R HA 0.387 4.727 4.340 -0.001 0.000 0.264 506 R C 1.182 177.450 176.300 -0.053 0.000 1.026 506 R CA 0.466 56.443 56.100 -0.206 0.000 1.121 506 R CB -0.568 29.390 30.300 -0.569 0.000 0.999 506 R HN 0.577 nan 8.270 nan 0.000 0.449 507 G N -0.036 108.762 108.800 -0.003 0.000 2.525 507 G HA2 0.335 4.294 3.960 -0.001 0.000 0.287 507 G HA3 0.335 4.294 3.960 -0.001 0.000 0.287 507 G C 0.716 175.749 174.900 0.222 0.000 1.350 507 G CA -0.073 45.088 45.100 0.101 0.000 1.039 507 G HN 0.646 nan 8.290 nan 0.000 0.513 508 A N -1.211 121.725 122.820 0.193 0.000 2.032 508 A HA -0.103 4.216 4.320 -0.001 0.000 0.221 508 A C 2.090 179.780 177.584 0.176 0.000 1.165 508 A CA 1.828 53.966 52.037 0.168 0.000 0.645 508 A CB -0.357 18.705 19.000 0.104 0.000 0.807 508 A HN 0.639 nan 8.150 nan 0.000 0.453 509 Q N -1.696 118.192 119.800 0.147 0.000 2.403 509 Q HA 0.277 4.617 4.340 -0.001 0.000 0.203 509 Q C 1.023 177.080 176.000 0.096 0.000 0.932 509 Q CA 0.289 56.156 55.803 0.106 0.000 0.945 509 Q CB 0.152 28.933 28.738 0.073 0.000 1.045 509 Q HN 0.876 nan 8.270 nan 0.000 0.511 510 G N 2.781 111.655 108.800 0.123 0.000 2.143 510 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.248 510 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.248 510 G C -0.373 174.430 174.900 -0.160 0.000 0.991 510 G CA 0.352 45.403 45.100 -0.081 0.000 0.689 510 G HN 0.537 nan 8.290 nan 0.000 0.522 511 D N 0.581 120.928 120.400 -0.088 0.000 2.312 511 D HA 0.346 4.986 4.640 -0.001 0.000 0.252 511 D C 0.479 176.704 176.300 -0.126 0.000 1.150 511 D CA -0.305 53.641 54.000 -0.090 0.000 0.870 511 D CB 1.158 41.939 40.800 -0.032 0.000 1.153 511 D HN 0.303 nan 8.370 nan 0.000 0.457 512 K N 1.145 121.454 120.400 -0.152 0.000 2.485 512 K HA 0.064 4.384 4.320 -0.001 0.000 0.277 512 K C 0.872 177.408 176.600 -0.107 0.000 0.990 512 K CA -0.130 56.058 56.287 -0.165 0.000 0.994 512 K CB 0.461 32.845 32.500 -0.193 0.000 0.906 512 K HN 0.652 nan 8.250 nan 0.000 0.488 513 S N 2.485 118.124 115.700 -0.101 0.000 2.608 513 S HA 0.116 4.585 4.470 -0.001 0.000 0.261 513 S C -1.825 172.720 174.600 -0.093 0.000 1.314 513 S CA -1.261 56.894 58.200 -0.075 0.000 0.992 513 S CB 0.946 64.101 63.200 -0.075 0.000 0.935 513 S HN 0.326 nan 8.310 nan 0.000 0.564 514 P HA -0.157 nan 4.420 nan 0.000 0.215 514 P C 1.733 178.899 177.300 -0.223 0.000 1.163 514 P CA 1.003 64.052 63.100 -0.085 0.000 0.894 514 P CB -0.180 31.508 31.700 -0.019 0.000 0.791 515 V N -0.047 119.539 119.914 -0.547 0.000 2.343 515 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 515 V C 2.057 178.056 176.094 -0.158 0.000 1.051 515 V CA 2.039 64.022 62.300 -0.529 0.000 1.036 515 V CB -0.950 30.541 31.823 -0.555 0.000 0.654 515 V HN 0.108 nan 8.190 nan 0.000 0.451 516 E N -0.228 119.883 120.200 -0.147 0.000 2.051 516 E HA -0.298 4.052 4.350 -0.001 0.000 0.192 516 E C 2.101 178.632 176.600 -0.116 0.000 0.991 516 E CA 1.594 57.911 56.400 -0.139 0.000 0.799 516 E CB -0.162 29.422 29.700 -0.194 0.000 0.748 516 E HN 0.819 nan 8.360 nan 0.000 0.449 517 E N 1.266 121.412 120.200 -0.090 0.000 2.051 517 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 517 E C 1.935 178.543 176.600 0.013 0.000 0.991 517 E CA 1.440 57.808 56.400 -0.052 0.000 0.799 517 E CB -0.198 29.479 29.700 -0.038 0.000 0.748 517 E HN 0.204 nan 8.360 nan 0.000 0.449 518 A N 0.713 123.586 122.820 0.087 0.000 1.978 518 A HA -0.121 4.199 4.320 -0.001 0.000 0.220 518 A C 2.279 179.955 177.584 0.153 0.000 1.170 518 A CA 1.375 53.531 52.037 0.198 0.000 0.636 518 A CB -0.701 18.576 19.000 0.461 0.000 0.810 518 A HN 0.392 nan 8.150 nan 0.000 0.448 519 L N 0.086 121.369 121.223 0.099 0.000 2.201 519 L HA -0.046 4.294 4.340 -0.001 0.000 0.212 519 L C 0.078 176.967 176.870 0.033 0.000 1.105 519 L CA -0.147 54.740 54.840 0.079 0.000 0.775 519 L CB -0.391 41.701 42.059 0.055 0.000 0.913 519 L HN 0.245 nan 8.230 nan 0.000 0.440 520 I N 0.985 121.552 120.570 -0.004 0.000 2.741 520 I HA 0.024 4.193 4.170 -0.001 0.000 0.288 520 I C 1.487 177.597 176.117 -0.012 0.000 1.192 520 I CA 0.990 62.274 61.300 -0.026 0.000 1.426 520 I CB -0.516 37.452 38.000 -0.053 0.000 1.367 520 I HN 0.361 nan 8.210 nan 0.000 0.563 521 G N 4.419 113.209 108.800 -0.016 0.000 2.175 521 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.244 521 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.244 521 G C 0.523 175.399 174.900 -0.040 0.000 0.982 521 G CA 0.132 45.216 45.100 -0.026 0.000 0.641 521 G HN 0.613 nan 8.290 nan 0.000 0.527 522 T N 4.481 119.025 114.554 -0.016 0.000 2.831 522 T HA 0.416 4.766 4.350 -0.001 0.000 0.291 522 T C -1.730 172.974 174.700 0.007 0.000 0.981 522 T CA 0.333 62.423 62.100 -0.017 0.000 1.174 522 T CB 1.399 70.309 68.868 0.070 0.000 0.929 522 T HN 0.336 nan 8.240 nan 0.000 0.532 523 P HA 0.310 nan 4.420 nan 0.000 0.275 523 P C -0.769 176.598 177.300 0.110 0.000 1.228 523 P CA -0.492 62.633 63.100 0.041 0.000 0.786 523 P CB 0.695 32.407 31.700 0.021 0.000 0.927 524 I N 2.050 122.693 120.570 0.122 0.000 2.448 524 I HA 0.198 4.367 4.170 -0.001 0.000 0.281 524 I C 1.366 177.557 176.117 0.123 0.000 1.027 524 I CA -0.903 60.477 61.300 0.134 0.000 1.111 524 I CB 0.592 38.673 38.000 0.136 0.000 1.236 524 I HN 0.373 nan 8.210 nan 0.000 0.452 525 A N 4.535 127.441 122.820 0.144 0.000 1.898 525 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 525 A C 0.670 178.267 177.584 0.021 0.000 1.181 525 A CA 1.420 53.523 52.037 0.110 0.000 0.620 525 A CB -0.077 19.023 19.000 0.166 0.000 0.819 525 A HN 0.656 nan 8.150 nan 0.000 0.442 526 D N -2.737 117.658 120.400 -0.008 0.000 2.696 526 D HA 0.442 5.082 4.640 -0.001 0.000 0.251 526 D C -2.367 173.845 176.300 -0.148 0.000 1.188 526 D CA -2.103 51.833 54.000 -0.107 0.000 0.876 526 D CB 1.827 42.508 40.800 -0.200 0.000 1.334 526 D HN -0.143 nan 8.370 nan 0.000 0.540 527 P HA -0.038 nan 4.420 nan 0.000 0.220 527 P C 0.819 177.905 177.300 -0.355 0.000 1.148 527 P CA 0.924 63.746 63.100 -0.464 0.000 0.803 527 P CB 0.384 31.445 31.700 -1.066 0.000 0.782 528 K N -0.891 119.335 120.400 -0.290 0.000 2.400 528 K HA 0.100 4.419 4.320 -0.001 0.000 0.194 528 K C 0.611 177.018 176.600 -0.323 0.000 1.033 528 K CA 0.416 56.557 56.287 -0.244 0.000 1.021 528 K CB 0.278 32.669 32.500 -0.181 0.000 0.808 528 K HN 0.113 nan 8.250 nan 0.000 0.505 529 R N 1.393 121.685 120.500 -0.348 0.000 2.629 529 R HA 0.143 4.483 4.340 -0.001 0.000 0.277 529 R C -2.582 173.484 176.300 -0.390 0.000 1.637 529 R CA -1.249 54.461 56.100 -0.649 0.000 1.663 529 R CB 1.147 31.275 30.300 -0.287 0.000 1.228 529 R HN -0.077 nan 8.270 nan 0.000 0.632 530 P HA -0.002 nan 4.420 nan 0.000 0.220 530 P C 1.016 178.374 177.300 0.096 0.000 1.806 530 P CA 0.033 63.112 63.100 -0.034 0.000 0.976 530 P CB 0.603 32.304 31.700 0.001 0.000 1.952 531 V N 1.888 121.866 119.914 0.106 0.000 2.453 531 V HA -0.293 3.827 4.120 -0.001 0.000 0.252 531 V C 1.942 177.988 176.094 -0.079 0.000 1.068 531 V CA 2.217 64.569 62.300 0.086 0.000 1.070 531 V CB -0.613 31.110 31.823 -0.166 0.000 0.664 531 V HN 0.185 nan 8.190 nan 0.000 0.461 532 E N 0.259 120.474 120.200 0.026 0.000 2.110 532 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 532 E C 1.977 178.700 176.600 0.205 0.000 0.988 532 E CA 1.884 58.397 56.400 0.189 0.000 0.804 532 E CB -0.357 29.581 29.700 0.397 0.000 0.745 532 E HN 0.681 nan 8.360 nan 0.000 0.458 533 I N 0.700 121.354 120.570 0.140 0.000 2.151 533 I HA -0.331 3.838 4.170 -0.001 0.000 0.243 533 I C 2.190 178.324 176.117 0.030 0.000 1.080 533 I CA 1.219 62.586 61.300 0.112 0.000 1.339 533 I CB -0.414 37.647 38.000 0.100 0.000 1.039 533 I HN 0.124 nan 8.210 nan 0.000 0.409 534 L N 0.010 121.200 121.223 -0.055 0.000 2.042 534 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 534 L C 2.786 179.529 176.870 -0.213 0.000 1.076 534 L CA 1.455 56.137 54.840 -0.264 0.000 0.749 534 L CB -0.736 41.206 42.059 -0.194 0.000 0.893 534 L HN 0.197 nan 8.230 nan 0.000 0.432 535 R N -0.511 119.853 120.500 -0.227 0.000 2.094 535 R HA -0.163 4.176 4.340 -0.001 0.000 0.239 535 R C 2.374 178.761 176.300 0.146 0.000 1.137 535 R CA 2.178 58.101 56.100 -0.295 0.000 0.943 535 R CB -0.641 28.973 30.300 -1.143 0.000 0.850 535 R HN 0.315 nan 8.270 nan 0.000 0.433 536 T N 0.334 115.028 114.554 0.233 0.000 2.770 536 T HA -0.071 4.278 4.350 -0.001 0.000 0.263 536 T C 1.957 176.868 174.700 0.351 0.000 1.039 536 T CA 1.237 63.556 62.100 0.365 0.000 1.142 536 T CB -0.117 68.998 68.868 0.410 0.000 0.868 536 T HN -0.023 nan 8.240 nan 0.000 0.435 537 V N 1.228 121.271 119.914 0.215 0.000 2.255 537 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 537 V C 2.168 178.394 176.094 0.221 0.000 1.051 537 V CA 1.934 64.348 62.300 0.189 0.000 1.018 537 V CB -0.775 31.051 31.823 0.004 0.000 0.641 537 V HN 0.660 nan 8.190 nan 0.000 0.445 538 H N -0.250 118.884 119.070 0.107 0.000 2.422 538 H HA -0.112 4.443 4.556 -0.001 0.000 0.298 538 H C 2.272 177.486 175.328 -0.190 0.000 1.098 538 H CA 1.027 57.049 56.048 -0.043 0.000 1.315 538 H CB -0.146 29.503 29.762 -0.189 0.000 1.382 538 H HN 0.480 nan 8.280 nan 0.000 0.523 539 A N 0.691 123.500 122.820 -0.019 0.000 1.978 539 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 539 A C 1.679 179.223 177.584 -0.065 0.000 1.170 539 A CA 1.263 53.301 52.037 0.001 0.000 0.636 539 A CB -0.774 18.312 19.000 0.143 0.000 0.810 539 A HN 0.345 nan 8.150 nan 0.000 0.448 540 F N -0.496 119.497 119.950 0.072 0.000 2.699 540 F HA 0.048 4.574 4.527 -0.001 0.000 0.298 540 F C 0.834 176.636 175.800 0.003 0.000 1.154 540 F CA 0.816 58.852 58.000 0.060 0.000 1.457 540 F CB -0.123 38.934 39.000 0.094 0.000 1.106 540 F HN 0.323 nan 8.300 nan 0.000 0.585 541 D N 0.079 120.536 120.400 0.095 0.000 2.746 541 D HA -0.153 4.487 4.640 -0.001 0.000 0.241 541 D C -2.627 173.752 176.300 0.132 0.000 1.140 541 D CA -0.126 53.841 54.000 -0.055 0.000 0.707 541 D CB -0.577 39.968 40.800 -0.424 0.000 1.034 541 D HN 0.083 nan 8.370 nan 0.000 0.423 542 P HA 0.162 nan 4.420 nan 0.000 0.271 542 P C -0.243 177.163 177.300 0.178 0.000 1.216 542 P CA -0.529 62.690 63.100 0.198 0.000 0.771 542 P CB 1.233 33.052 31.700 0.198 0.000 0.864 543 C N 6.136 125.540 119.300 0.172 0.000 2.407 543 C HA 0.336 4.796 4.460 -0.001 0.000 0.328 543 C C 1.319 176.414 174.990 0.175 0.000 1.137 543 C CA -0.502 58.617 59.018 0.168 0.000 1.390 543 C CB -0.985 26.864 27.740 0.181 0.000 1.989 543 C HN 0.483 nan 8.230 nan 0.000 0.432 544 I N 4.013 124.676 120.570 0.154 0.000 2.584 544 I HA 0.053 4.222 4.170 -0.001 0.000 0.255 544 I C 2.530 178.750 176.117 0.171 0.000 1.145 544 I CA 1.517 62.921 61.300 0.172 0.000 1.462 544 I CB -1.504 36.602 38.000 0.176 0.000 1.102 544 I HN 0.777 nan 8.210 nan 0.000 0.433 545 A N 0.020 122.927 122.820 0.145 0.000 1.930 545 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 545 A C 2.597 180.280 177.584 0.165 0.000 1.175 545 A CA 1.556 53.669 52.037 0.128 0.000 0.627 545 A CB -1.132 17.931 19.000 0.105 0.000 0.815 545 A HN 0.453 nan 8.150 nan 0.000 0.443 546 C N -1.082 118.347 119.300 0.216 0.000 2.413 546 C HA -0.024 4.436 4.460 -0.001 0.000 0.277 546 C C 3.047 178.270 174.990 0.387 0.000 1.228 546 C CA 1.031 60.233 59.018 0.308 0.000 1.731 546 C CB -1.487 26.458 27.740 0.341 0.000 2.042 546 C HN 0.686 nan 8.230 nan 0.000 0.468 547 G N -0.672 108.308 108.800 0.300 0.000 2.422 547 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.218 547 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.218 547 G C 1.555 176.571 174.900 0.194 0.000 1.146 547 G CA 1.506 46.772 45.100 0.278 0.000 0.769 547 G HN 0.448 nan 8.290 nan 0.000 0.547 548 V N 1.266 121.234 119.914 0.092 0.000 2.795 548 V HA 0.127 4.247 4.120 -0.001 0.000 0.243 548 V C 1.153 176.867 176.094 -0.633 0.000 1.069 548 V CA 0.662 62.898 62.300 -0.106 0.000 1.089 548 V CB -0.705 31.204 31.823 0.143 0.000 0.756 548 V HN 0.762 nan 8.190 nan 0.000 0.471 549 H N 0.000 119.083 119.070 0.022 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 549 H CA 0.000 55.992 56.048 -0.093 0.000 1.023 549 H CB 0.000 29.715 29.762 -0.078 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496