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 1o19_1_M DATA FIRST_RESID 4 DATA SEQUENCE DAEMAAFGEA APYLRXSEKE RIEAQNXPFD AXSSVFVVHP KQSFVXGTIQ DATA SEQUENCE SXEGGXVTVX TEGGETLTVK EDQVFSMNPP XYDXIEDMAM MTHLHEPAVL DATA SEQUENCE YNLXERYAAW MIYTYSGLFC VTVNPYXWLP VYNPXVVLAY RGKKRQEAPP DATA SEQUENCE HIFSISDNAY QFMLTDRENQ SILITGESGA GKTVNTXRVI QYFATIAASG DATA SEQUENCE EKKKEEQSGK MQGTLEDQII SANPLLEAFG NAXTVRNDNS SRFGXFIRIH DATA SEQUENCE FGATGKLASA DIETYLLEXS RVTFQLPAER SYHIFYQIMS NXXPELIDML DATA SEQUENCE LITTNPYDYH YVSEGEITVP SIDDQEELMA TDSAIDILGF SADEXTAIYX DATA SEQUENCE LTGAVMHYGN LKFXQXQREE QAEPDGTEVA DXAAYLMGLN SAELLKALCY DATA SEQUENCE PRVGVGNEAV TXGETVSEVH NSVGALAXAV YEXMFLWMVI RINQQLDTKQ DATA SEQUENCE PRQYFIGVLD IAGFEIFDFN SFEQLCINFT NEXLQQFFNH HMFVLEQEEY DATA SEQUENCE XXEGIEWEFI DFGMDLAACI ELIEXPMGIF SILEEECMFP KATDTSFXNX DATA SEQUENCE LYDEHLGKSN NFQKPKPAKG KAEAHFSLVH YAGTVDYNIS GWLEXNXDPL DATA SEQUENCE NETVIGLYQX SSVXTLALLF ATYGGEAEGG GGKKGGKKKG SSFQTVSALF DATA SEQUENCE RENLNXLMAN LRSTHPHFVR CIIPNETXTP GAMEHELVLH QLRCNGVLEG DATA SEQUENCE IRICRKGFPS RVLYADFKQR YRVLNASAIP EGQFMDSKKA SEKLLGGGDV DATA SEQUENCE DHTQYAFGHT XVFFXAGLLG LLEEMRDDXL AEIITATQAR CRGFLMRVEY DATA SEQUENCE RAMVERRESI FCIQYNVRSF MNVXHWPWMX LFFXIXPLLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.320 176.300 0.033 0.000 2.045 4 D CA 0.000 54.012 54.000 0.020 0.000 0.868 4 D CB 0.000 40.806 40.800 0.011 0.000 0.688 5 A N 1.342 124.180 122.820 0.029 0.000 1.865 5 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 5 A C 1.866 179.475 177.584 0.042 0.000 1.191 5 A CA 2.136 54.191 52.037 0.030 0.000 0.623 5 A CB -0.656 18.359 19.000 0.025 0.000 0.826 5 A HN 0.297 nan 8.150 nan 0.000 0.444 6 E N -0.221 120.010 120.200 0.051 0.000 2.021 6 E HA -0.151 4.198 4.350 -0.001 0.000 0.200 6 E C 0.348 177.017 176.600 0.116 0.000 1.015 6 E CA 0.913 57.356 56.400 0.073 0.000 0.824 6 E CB -0.327 29.422 29.700 0.081 0.000 0.762 6 E HN 0.558 nan 8.360 nan 0.000 0.454 7 M N 0.079 119.770 119.600 0.153 0.000 2.390 7 M HA 0.043 4.523 4.480 -0.001 0.000 0.353 7 M C 0.361 176.765 176.300 0.173 0.000 1.623 7 M CA 0.458 55.913 55.300 0.258 0.000 1.065 7 M CB 0.681 33.382 32.600 0.168 0.000 2.025 7 M HN 0.222 nan 8.290 nan 0.000 0.461 8 A N 3.036 125.957 122.820 0.167 0.000 1.429 8 A HA 0.397 4.716 4.320 -0.001 0.000 0.212 8 A C 1.785 179.371 177.584 0.003 0.000 1.863 8 A CA 0.538 52.615 52.037 0.067 0.000 1.494 8 A CB -0.925 18.087 19.000 0.020 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.250 122.980 122.820 -0.151 0.000 1.896 9 A HA -0.086 4.233 4.320 -0.001 0.000 0.220 9 A C 1.901 179.279 177.584 -0.344 0.000 1.206 9 A CA 2.315 54.127 52.037 -0.375 0.000 0.647 9 A CB -1.044 17.518 19.000 -0.730 0.000 0.828 9 A HN 0.723 nan 8.150 nan 0.000 0.455 10 F N -1.138 118.803 119.950 -0.015 0.000 2.094 10 F HA 0.291 4.817 4.527 -0.001 0.000 0.291 10 F C 2.500 178.322 175.800 0.037 0.000 1.109 10 F CA 0.813 58.825 58.000 0.021 0.000 1.221 10 F CB -1.229 37.783 39.000 0.020 0.000 1.014 10 F HN 0.473 nan 8.300 nan 0.000 0.473 11 G N 0.470 109.449 108.800 0.298 0.000 3.773 11 G HA2 -0.529 3.431 3.960 -0.001 0.000 0.355 11 G HA3 -0.529 3.431 3.960 -0.001 0.000 0.355 11 G C 1.271 176.260 174.900 0.147 0.000 1.323 11 G CA 1.288 46.487 45.100 0.166 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.052 121.342 120.200 0.150 0.000 2.160 12 E HA 0.204 4.553 4.350 -0.001 0.000 0.195 12 E C 2.856 179.578 176.600 0.203 0.000 0.991 12 E CA 1.962 58.456 56.400 0.157 0.000 0.810 12 E CB -0.381 29.419 29.700 0.166 0.000 0.742 12 E HN 0.759 nan 8.360 nan 0.000 0.466 13 A N 0.289 123.260 122.820 0.252 0.000 2.021 13 A HA 0.162 4.481 4.320 -0.001 0.000 0.216 13 A C 2.284 179.975 177.584 0.179 0.000 1.163 13 A CA 1.033 53.255 52.037 0.308 0.000 0.676 13 A CB -0.536 18.666 19.000 0.336 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.260 124.136 122.820 0.093 0.000 1.916 14 A HA -0.240 4.079 4.320 -0.001 0.000 0.224 14 A C 0.254 177.755 177.584 -0.138 0.000 1.366 14 A CA 2.471 54.468 52.037 -0.066 0.000 0.692 14 A CB -2.074 16.923 19.000 -0.005 0.000 0.841 14 A HN 0.482 nan 8.150 nan 0.000 0.480 15 P HA -0.148 nan 4.420 nan 0.000 0.220 15 P C 0.527 177.591 177.300 -0.394 0.000 1.144 15 P CA 1.378 64.256 63.100 -0.370 0.000 0.800 15 P CB -0.255 31.121 31.700 -0.540 0.000 0.772 16 Y N -2.428 117.874 120.300 0.003 0.000 2.462 16 Y HA 0.145 4.694 4.550 -0.001 0.000 0.261 16 Y C 1.952 177.836 175.900 -0.027 0.000 1.146 16 Y CA 0.032 58.136 58.100 0.008 0.000 1.283 16 Y CB -0.320 38.138 38.460 -0.005 0.000 1.090 16 Y HN -0.167 nan 8.280 nan 0.000 0.526 17 L N -1.091 120.148 121.223 0.027 0.000 2.435 17 L HA 0.297 4.637 4.340 -0.001 0.000 0.195 17 L C 0.920 177.743 176.870 -0.079 0.000 1.072 17 L CA 0.807 55.615 54.840 -0.053 0.000 0.833 17 L CB -0.202 41.717 42.059 -0.234 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.035 121.223 120.200 -0.019 0.000 2.516 21 E HA -0.134 4.215 4.350 -0.001 0.000 0.206 21 E C 1.173 177.761 176.600 -0.020 0.000 1.107 21 E CA 1.522 57.912 56.400 -0.017 0.000 0.903 21 E CB -0.175 29.519 29.700 -0.010 0.000 0.838 21 E HN 0.628 nan 8.360 nan 0.000 0.574 22 K N -2.191 118.196 120.400 -0.021 0.000 2.474 22 K HA 0.171 4.490 4.320 -0.001 0.000 0.204 22 K C 1.560 178.145 176.600 -0.025 0.000 1.220 22 K CA -0.131 56.142 56.287 -0.023 0.000 0.966 22 K CB 0.107 32.596 32.500 -0.019 0.000 1.049 22 K HN -0.110 nan 8.250 nan 0.000 0.554 23 E N 1.357 121.543 120.200 -0.024 0.000 2.153 23 E HA -0.070 4.279 4.350 -0.001 0.000 0.194 23 E C 1.829 178.412 176.600 -0.028 0.000 0.988 23 E CA 1.125 57.511 56.400 -0.024 0.000 0.811 23 E CB 0.138 29.824 29.700 -0.023 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.237 120.719 120.500 -0.030 0.000 2.070 24 R HA -0.069 4.271 4.340 -0.001 0.000 0.227 24 R C 2.467 178.739 176.300 -0.047 0.000 1.147 24 R CA 1.259 57.337 56.100 -0.036 0.000 0.924 24 R CB -0.458 29.822 30.300 -0.034 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.382 121.924 120.570 -0.046 0.000 2.185 25 I HA -0.307 3.862 4.170 -0.001 0.000 0.246 25 I C 1.846 177.931 176.117 -0.054 0.000 1.088 25 I CA 1.634 62.902 61.300 -0.054 0.000 1.347 25 I CB -0.508 37.466 38.000 -0.043 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.397 120.572 120.200 -0.042 0.000 2.418 26 E HA -0.088 4.262 4.350 -0.001 0.000 0.197 26 E C 2.049 178.625 176.600 -0.040 0.000 1.026 26 E CA 0.880 57.258 56.400 -0.037 0.000 0.862 26 E CB 0.056 29.740 29.700 -0.027 0.000 0.799 26 E HN 0.540 nan 8.360 nan 0.000 0.518 27 A N 0.706 123.497 122.820 -0.047 0.000 1.973 27 A HA -0.040 4.280 4.320 -0.001 0.000 0.210 27 A C 1.945 179.482 177.584 -0.079 0.000 1.200 27 A CA 0.183 52.190 52.037 -0.050 0.000 0.707 27 A CB 0.099 19.075 19.000 -0.040 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.322 120.062 119.800 -0.100 0.000 2.187 28 Q HA 0.033 4.373 4.340 -0.001 0.000 0.199 28 Q C 0.080 175.985 176.000 -0.159 0.000 0.957 28 Q CA 0.483 56.195 55.803 -0.151 0.000 0.857 28 Q CB -0.036 28.602 28.738 -0.166 0.000 0.929 28 Q HN 0.561 nan 8.270 nan 0.000 0.453 32 F N 1.147 121.057 119.950 -0.067 0.000 2.574 32 F HA 0.382 4.909 4.527 -0.001 0.000 0.313 32 F C -1.043 174.720 175.800 -0.061 0.000 1.130 32 F CA -0.521 57.437 58.000 -0.069 0.000 0.936 32 F CB 2.183 41.138 39.000 -0.074 0.000 1.219 32 F HN 0.179 nan 8.300 nan 0.000 0.445 33 D N 5.065 125.042 120.400 -0.706 0.000 2.458 33 D HA 0.471 5.110 4.640 -0.001 0.000 0.258 33 D C 0.173 176.117 176.300 -0.593 0.000 1.134 33 D CA 0.143 53.861 54.000 -0.470 0.000 0.915 33 D CB 1.335 41.953 40.800 -0.303 0.000 1.028 33 D HN 0.758 nan 8.370 nan 0.000 0.508 37 S N 2.014 117.532 115.700 -0.304 0.000 2.533 37 S HA 0.698 5.167 4.470 -0.001 0.000 0.282 37 S C -0.195 174.260 174.600 -0.242 0.000 1.304 37 S CA -0.330 57.669 58.200 -0.336 0.000 1.063 37 S CB 1.455 64.320 63.200 -0.558 0.000 0.881 37 S HN 0.621 nan 8.310 nan 0.000 0.493 38 V N 1.958 121.722 119.914 -0.251 0.000 3.258 38 V HA 0.512 4.632 4.120 -0.001 0.000 0.299 38 V C -1.459 174.442 176.094 -0.322 0.000 1.376 38 V CA -0.915 61.253 62.300 -0.220 0.000 1.063 38 V CB 2.070 33.842 31.823 -0.085 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.181 121.114 119.950 -0.028 0.000 2.432 39 F HA 0.857 5.383 4.527 -0.001 0.000 0.329 39 F C 0.141 176.046 175.800 0.175 0.000 1.076 39 F CA -0.547 57.436 58.000 -0.029 0.000 1.018 39 F CB 1.886 40.768 39.000 -0.198 0.000 1.201 39 F HN 0.231 nan 8.300 nan 0.000 0.489 40 V N 2.429 122.657 119.914 0.522 0.000 3.178 40 V HA 0.488 4.608 4.120 -0.001 0.000 0.302 40 V C -0.966 175.492 176.094 0.607 0.000 1.262 40 V CA -0.923 61.680 62.300 0.505 0.000 1.030 40 V CB 2.579 34.557 31.823 0.259 0.000 1.074 40 V HN 0.485 nan 8.190 nan 0.000 0.438 41 V N 3.808 124.006 119.914 0.472 0.000 3.139 41 V HA 0.342 4.461 4.120 -0.001 0.000 0.307 41 V C -0.331 175.886 176.094 0.206 0.000 1.095 41 V CA 0.386 62.820 62.300 0.224 0.000 1.160 41 V CB 1.016 32.934 31.823 0.158 0.000 1.003 41 V HN 0.998 nan 8.190 nan 0.000 0.489 42 H N 5.161 124.205 119.070 -0.044 0.000 3.188 42 H HA 0.302 4.858 4.556 -0.001 0.000 0.325 42 H C -2.400 172.913 175.328 -0.025 0.000 1.033 42 H CA -1.590 54.463 56.048 0.007 0.000 1.443 42 H CB 2.193 31.999 29.762 0.074 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.182 nan 4.420 nan 0.000 0.217 43 P C 1.027 178.462 177.300 0.225 0.000 1.158 43 P CA 1.612 64.809 63.100 0.162 0.000 0.887 43 P CB 0.767 32.491 31.700 0.041 0.000 0.792 44 K N -1.151 119.498 120.400 0.415 0.000 2.056 44 K HA 0.053 4.373 4.320 -0.001 0.000 0.205 44 K C 1.238 177.812 176.600 -0.043 0.000 1.035 44 K CA 0.745 57.126 56.287 0.156 0.000 0.955 44 K CB -0.243 32.360 32.500 0.172 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.115 119.677 119.800 -0.396 0.000 2.261 45 Q HA 0.151 4.491 4.340 -0.001 0.000 0.252 45 Q C 0.663 176.573 176.000 -0.150 0.000 0.915 45 Q CA -0.216 55.391 55.803 -0.326 0.000 0.915 45 Q CB 1.800 30.297 28.738 -0.403 0.000 1.204 45 Q HN 0.146 nan 8.270 nan 0.000 0.421 46 S N 1.977 117.689 115.700 0.020 0.000 2.389 46 S HA -0.143 4.326 4.470 -0.001 0.000 0.229 46 S C -0.172 174.265 174.600 -0.272 0.000 1.048 46 S CA 1.511 59.656 58.200 -0.093 0.000 1.117 46 S CB 0.059 63.242 63.200 -0.029 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.010 119.038 119.950 0.162 0.000 2.607 47 F HA 0.577 5.103 4.527 -0.001 0.000 0.322 47 F C -0.180 175.831 175.800 0.352 0.000 1.176 47 F CA -0.698 57.430 58.000 0.214 0.000 0.977 47 F CB 1.492 40.553 39.000 0.102 0.000 1.242 47 F HN -0.078 nan 8.300 nan 0.000 0.465 51 T N 1.330 115.836 114.554 -0.080 0.000 2.797 51 T HA 0.507 4.857 4.350 -0.001 0.000 0.279 51 T C 0.190 174.847 174.700 -0.071 0.000 0.991 51 T CA -0.430 61.612 62.100 -0.098 0.000 0.979 51 T CB 1.210 70.020 68.868 -0.096 0.000 0.943 51 T HN 0.415 nan 8.240 nan 0.000 0.444 52 I N 3.851 124.374 120.570 -0.077 0.000 2.533 52 I HA 0.119 4.289 4.170 -0.001 0.000 0.284 52 I C 1.359 177.445 176.117 -0.051 0.000 1.109 52 I CA 0.055 61.321 61.300 -0.056 0.000 1.412 52 I CB 0.434 38.400 38.000 -0.056 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.042 123.818 119.800 -0.039 0.000 2.240 53 Q HA 0.125 4.464 4.340 -0.001 0.000 0.194 53 Q C 0.583 176.565 176.000 -0.030 0.000 0.982 53 Q CA 0.807 56.589 55.803 -0.034 0.000 0.842 53 Q CB 0.090 28.811 28.738 -0.027 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.602 109.396 108.800 -0.010 0.000 2.234 57 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.260 57 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.260 57 G C 0.517 175.412 174.900 -0.009 0.000 0.987 57 G CA 0.496 45.591 45.100 -0.008 0.000 0.625 57 G HN 0.819 nan 8.290 nan 0.000 0.532 61 T N 2.256 116.799 114.554 -0.019 0.000 2.771 61 T HA 0.879 5.229 4.350 -0.001 0.000 0.281 61 T C -0.388 174.301 174.700 -0.018 0.000 0.982 61 T CA -0.684 61.405 62.100 -0.018 0.000 0.978 61 T CB 1.867 70.724 68.868 -0.018 0.000 0.930 61 T HN 0.530 nan 8.240 nan 0.000 0.447 65 E N 0.570 120.803 120.200 0.055 0.000 2.267 65 E HA 0.496 4.846 4.350 -0.001 0.000 0.241 65 E C 0.487 177.128 176.600 0.068 0.000 0.950 65 E CA 0.037 56.465 56.400 0.047 0.000 0.776 65 E CB 0.348 30.074 29.700 0.043 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.824 110.655 108.800 0.053 0.000 3.259 66 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.217 66 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.217 66 G C 0.423 175.349 174.900 0.044 0.000 0.993 66 G CA -0.168 44.964 45.100 0.054 0.000 0.836 66 G HN 0.801 nan 8.290 nan 0.000 0.514 67 G N -0.179 108.647 108.800 0.043 0.000 3.055 67 G HA2 0.438 4.397 3.960 -0.001 0.000 0.654 67 G HA3 0.438 4.397 3.960 -0.001 0.000 0.654 67 G C -0.703 174.218 174.900 0.035 0.000 1.134 67 G CA 0.824 45.941 45.100 0.030 0.000 1.049 67 G HN 1.306 nan 8.290 nan 0.000 0.458 68 E N 0.299 120.517 120.200 0.031 0.000 2.388 68 E HA 0.734 5.084 4.350 -0.001 0.000 0.281 68 E C -0.387 176.217 176.600 0.007 0.000 1.046 68 E CA -0.373 56.040 56.400 0.022 0.000 0.825 68 E CB 1.523 31.247 29.700 0.040 0.000 1.243 68 E HN 0.752 nan 8.360 nan 0.000 0.438 69 T N 1.506 116.055 114.554 -0.009 0.000 2.841 69 T HA 0.711 5.060 4.350 -0.001 0.000 0.285 69 T C -0.841 173.841 174.700 -0.029 0.000 0.991 69 T CA -0.660 61.431 62.100 -0.015 0.000 0.966 69 T CB 0.887 69.747 68.868 -0.012 0.000 0.962 69 T HN 0.300 nan 8.240 nan 0.000 0.438 70 L N 2.161 123.366 121.223 -0.030 0.000 2.422 70 L HA 0.626 4.965 4.340 -0.001 0.000 0.264 70 L C -0.317 176.537 176.870 -0.026 0.000 0.984 70 L CA -0.475 54.340 54.840 -0.041 0.000 0.819 70 L CB 2.788 44.808 42.059 -0.064 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.414 116.953 114.554 -0.026 0.000 2.853 71 T HA 0.560 4.910 4.350 -0.001 0.000 0.317 71 T C -0.527 174.163 174.700 -0.018 0.000 1.059 71 T CA -0.320 61.768 62.100 -0.019 0.000 0.954 71 T CB 1.038 69.895 68.868 -0.017 0.000 0.994 71 T HN 0.193 nan 8.240 nan 0.000 0.479 72 V N 3.357 123.262 119.914 -0.014 0.000 2.864 72 V HA 0.446 4.566 4.120 -0.001 0.000 0.314 72 V C 0.438 176.522 176.094 -0.017 0.000 1.073 72 V CA -1.160 61.134 62.300 -0.010 0.000 0.956 72 V CB 2.322 34.147 31.823 0.003 0.000 1.023 72 V HN 0.736 nan 8.190 nan 0.000 0.435 73 K N 1.495 121.885 120.400 -0.017 0.000 2.414 73 K HA -0.132 4.188 4.320 -0.001 0.000 0.266 73 K C 1.234 177.806 176.600 -0.047 0.000 0.976 73 K CA 1.183 57.455 56.287 -0.025 0.000 0.884 73 K CB 0.112 32.601 32.500 -0.018 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.283 120.454 120.200 -0.049 0.000 2.107 74 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 74 E C 0.107 176.632 176.600 -0.124 0.000 0.982 74 E CA 1.301 57.661 56.400 -0.067 0.000 0.809 74 E CB 0.172 29.846 29.700 -0.044 0.000 0.756 74 E HN 0.500 nan 8.360 nan 0.000 0.459 75 D N -0.641 119.688 120.400 -0.118 0.000 2.706 75 D HA 0.067 4.706 4.640 -0.001 0.000 0.236 75 D C 0.432 176.565 176.300 -0.278 0.000 1.231 75 D CA 0.008 53.888 54.000 -0.200 0.000 0.828 75 D CB 0.349 41.074 40.800 -0.124 0.000 1.015 75 D HN 0.003 nan 8.370 nan 0.000 0.484 76 Q N -0.690 118.953 119.800 -0.263 0.000 2.189 76 Q HA 0.268 4.608 4.340 -0.001 0.000 0.223 76 Q C -0.785 175.087 176.000 -0.214 0.000 0.828 76 Q CA 0.021 55.751 55.803 -0.123 0.000 0.967 76 Q CB 1.314 30.056 28.738 0.006 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.544 121.167 119.914 -0.486 0.000 2.417 77 V HA 0.502 4.621 4.120 -0.001 0.000 0.291 77 V C -1.134 174.601 176.094 -0.598 0.000 1.024 77 V CA -0.483 61.612 62.300 -0.341 0.000 0.861 77 V CB 1.093 32.826 31.823 -0.150 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.813 121.834 119.950 0.118 0.000 2.547 78 F HA 0.508 5.035 4.527 -0.001 0.000 0.316 78 F C 0.738 176.624 175.800 0.144 0.000 1.121 78 F CA -0.587 57.500 58.000 0.146 0.000 0.911 78 F CB 1.842 40.764 39.000 -0.129 0.000 1.179 78 F HN 0.352 nan 8.300 nan 0.000 0.443 79 S N 2.493 118.481 115.700 0.481 0.000 2.589 79 S HA 0.263 4.732 4.470 -0.001 0.000 0.256 79 S C -0.315 174.390 174.600 0.175 0.000 1.383 79 S CA -0.139 58.216 58.200 0.258 0.000 0.983 79 S CB 0.338 63.680 63.200 0.237 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.136 121.690 119.600 -0.077 0.000 2.263 80 M HA 0.315 4.795 4.480 -0.001 0.000 0.295 80 M C -1.070 175.183 176.300 -0.079 0.000 1.028 80 M CA -0.555 54.681 55.300 -0.108 0.000 0.921 80 M CB 1.050 33.463 32.600 -0.313 0.000 1.601 80 M HN 0.508 nan 8.290 nan 0.000 0.440 81 N N 5.725 124.386 118.700 -0.065 0.000 2.454 81 N HA 0.210 4.949 4.740 -0.001 0.000 0.254 81 N C -2.502 172.813 175.510 -0.325 0.000 1.228 81 N CA -0.518 52.489 53.050 -0.073 0.000 0.900 81 N CB 0.304 38.846 38.487 0.091 0.000 1.089 81 N HN 0.460 nan 8.380 nan 0.000 0.449 82 P HA 0.111 nan 4.420 nan 0.000 0.269 82 P C -2.353 174.551 177.300 -0.659 0.000 1.217 82 P CA -0.707 61.879 63.100 -0.857 0.000 0.783 82 P CB -0.466 31.015 31.700 -0.366 0.000 0.898 89 E N 2.050 122.323 120.200 0.121 0.000 2.118 89 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 89 E C 0.169 176.911 176.600 0.236 0.000 0.992 89 E CA 1.242 57.733 56.400 0.152 0.000 0.804 89 E CB 0.304 30.116 29.700 0.187 0.000 0.741 89 E HN 0.381 nan 8.360 nan 0.000 0.458 90 D N -0.787 119.740 120.400 0.211 0.000 2.420 90 D HA 0.125 4.764 4.640 -0.001 0.000 0.255 90 D C 0.643 177.008 176.300 0.108 0.000 1.185 90 D CA -0.170 53.951 54.000 0.201 0.000 0.904 90 D CB 0.680 41.571 40.800 0.153 0.000 1.102 90 D HN -0.041 nan 8.370 nan 0.000 0.534 91 M N 1.489 121.146 119.600 0.095 0.000 2.337 91 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 91 M C 1.740 178.036 176.300 -0.008 0.000 1.067 91 M CA 1.183 56.506 55.300 0.038 0.000 1.074 91 M CB -0.118 32.503 32.600 0.035 0.000 1.395 91 M HN 0.360 nan 8.290 nan 0.000 0.431 92 A N -0.496 122.329 122.820 0.008 0.000 2.255 92 A HA 0.089 4.408 4.320 -0.001 0.000 0.206 92 A C 1.890 179.428 177.584 -0.076 0.000 1.193 92 A CA 0.653 52.670 52.037 -0.034 0.000 0.794 92 A CB -0.588 18.401 19.000 -0.018 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.424 118.132 119.600 -0.073 0.000 2.367 93 M HA 0.285 4.764 4.480 -0.001 0.000 0.256 93 M C 0.310 176.493 176.300 -0.194 0.000 1.091 93 M CA -0.000 55.242 55.300 -0.096 0.000 1.049 93 M CB 0.079 32.670 32.600 -0.016 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.309 119.120 119.600 -0.285 0.000 2.252 94 M HA -0.095 4.385 4.480 -0.001 0.000 0.321 94 M C 1.278 177.296 176.300 -0.469 0.000 1.070 94 M CA 0.789 55.732 55.300 -0.595 0.000 1.143 94 M CB 0.390 32.787 32.600 -0.339 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.029 114.190 114.554 -0.558 0.000 3.122 95 T HA 0.134 4.483 4.350 -0.001 0.000 0.250 95 T C -0.666 173.862 174.700 -0.286 0.000 1.067 95 T CA 0.275 62.210 62.100 -0.275 0.000 0.966 95 T CB -0.281 68.507 68.868 -0.133 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.870 119.768 119.070 -0.286 0.000 2.854 96 H HA 0.395 4.951 4.556 -0.001 0.000 0.275 96 H C -1.228 173.901 175.328 -0.333 0.000 1.198 96 H CA -0.698 55.175 56.048 -0.292 0.000 1.489 96 H CB 0.563 30.224 29.762 -0.169 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.041 125.099 121.223 -0.275 0.000 2.358 97 L HA 0.250 4.590 4.340 -0.001 0.000 0.274 97 L C 0.108 176.839 176.870 -0.232 0.000 1.136 97 L CA 0.097 54.815 54.840 -0.204 0.000 0.970 97 L CB -1.306 40.656 42.059 -0.162 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.723 118.289 119.070 -0.098 0.000 2.896 98 H HA 0.318 4.873 4.556 -0.001 0.000 0.318 98 H C 0.557 175.698 175.328 -0.312 0.000 1.409 98 H CA -0.656 55.273 56.048 -0.199 0.000 1.328 98 H CB 1.817 31.385 29.762 -0.324 0.000 1.940 98 H HN 0.389 nan 8.280 nan 0.000 0.665 99 E N 0.224 120.245 120.200 -0.300 0.000 2.042 99 E HA -0.023 4.326 4.350 -0.001 0.000 0.189 99 E C -1.034 175.182 176.600 -0.640 0.000 0.974 99 E CA 0.263 56.410 56.400 -0.422 0.000 0.806 99 E CB -0.552 28.911 29.700 -0.395 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.133 nan 4.420 nan 0.000 0.215 100 P C 0.997 177.735 177.300 -0.936 0.000 1.157 100 P CA 1.855 64.171 63.100 -1.307 0.000 0.863 100 P CB -0.108 30.456 31.700 -1.893 0.000 0.787 101 A N -0.629 121.743 122.820 -0.748 0.000 2.032 101 A HA -0.154 4.165 4.320 -0.001 0.000 0.221 101 A C 2.319 179.816 177.584 -0.145 0.000 1.165 101 A CA 1.754 53.625 52.037 -0.276 0.000 0.645 101 A CB -1.684 17.437 19.000 0.202 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.563 119.238 119.914 -0.189 0.000 2.446 102 V HA -0.133 3.986 4.120 -0.001 0.000 0.244 102 V C 2.390 178.388 176.094 -0.159 0.000 1.039 102 V CA 1.553 63.775 62.300 -0.130 0.000 1.045 102 V CB -0.487 31.265 31.823 -0.119 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.088 120.986 121.223 -0.248 0.000 1.994 103 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 103 L C 2.282 178.961 176.870 -0.319 0.000 1.071 103 L CA 2.226 56.880 54.840 -0.310 0.000 0.745 103 L CB -1.147 40.666 42.059 -0.409 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.042 120.157 120.300 -0.308 0.000 2.256 104 Y HA -0.248 4.302 4.550 -0.001 0.000 0.288 104 Y C 2.663 178.525 175.900 -0.063 0.000 1.155 104 Y CA 2.017 60.009 58.100 -0.179 0.000 1.203 104 Y CB -0.625 37.725 38.460 -0.183 0.000 0.980 104 Y HN 0.474 nan 8.280 nan 0.000 0.530 105 N N -0.437 118.296 118.700 0.055 0.000 2.216 105 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 105 N C 0.481 176.002 175.510 0.019 0.000 1.017 105 N CA 0.242 53.325 53.050 0.056 0.000 0.861 105 N CB -0.151 38.365 38.487 0.048 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.497 121.019 120.500 0.036 0.000 2.319 109 R HA 0.112 4.452 4.340 -0.001 0.000 0.204 109 R C 1.512 177.837 176.300 0.042 0.000 0.954 109 R CA 0.715 56.832 56.100 0.027 0.000 1.066 109 R CB -0.132 30.187 30.300 0.032 0.000 0.991 109 R HN 0.151 nan 8.270 nan 0.000 0.486 110 Y N 0.914 121.134 120.300 -0.133 0.000 2.464 110 Y HA 0.371 4.921 4.550 -0.001 0.000 0.288 110 Y C 2.270 177.941 175.900 -0.382 0.000 1.133 110 Y CA 0.188 58.175 58.100 -0.189 0.000 1.223 110 Y CB -0.119 38.246 38.460 -0.157 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.255 122.834 122.820 -0.402 0.000 2.178 111 A HA 0.134 4.453 4.320 -0.001 0.000 0.218 111 A C 1.911 179.076 177.584 -0.700 0.000 1.157 111 A CA 1.403 53.070 52.037 -0.617 0.000 0.689 111 A CB -1.081 17.747 19.000 -0.286 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.317 119.250 122.820 -0.422 0.000 2.430 112 A HA 0.418 4.737 4.320 -0.001 0.000 0.243 112 A C 0.356 177.954 177.584 0.023 0.000 1.254 112 A CA -0.187 51.738 52.037 -0.187 0.000 0.914 112 A CB -0.427 18.535 19.000 -0.063 0.000 0.998 112 A HN 0.711 nan 8.150 nan 0.000 0.515 113 W N -1.479 119.783 121.300 -0.063 0.000 4.301 113 W HA -0.170 4.490 4.660 -0.001 0.000 0.360 113 W C -0.555 176.000 176.519 0.060 0.000 1.371 113 W CA 0.771 58.107 57.345 -0.016 0.000 0.781 113 W CB -2.345 27.181 29.460 0.111 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.894 120.582 119.600 0.148 0.000 2.066 114 M HA 0.274 4.754 4.480 -0.001 0.000 0.340 114 M C 1.523 177.841 176.300 0.029 0.000 1.053 114 M CA -0.182 55.174 55.300 0.094 0.000 0.983 114 M CB 0.660 33.296 32.600 0.061 0.000 1.520 114 M HN 0.102 nan 8.290 nan 0.000 0.428 115 I N -0.760 119.727 120.570 -0.139 0.000 3.226 115 I HA 0.111 4.280 4.170 -0.001 0.000 0.277 115 I C -0.518 175.285 176.117 -0.523 0.000 1.243 115 I CA 0.536 61.634 61.300 -0.337 0.000 1.459 115 I CB 0.125 37.816 38.000 -0.514 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.134 122.406 120.300 -0.047 0.000 2.402 116 Y HA 0.548 5.097 4.550 -0.001 0.000 0.332 116 Y C 0.318 176.113 175.900 -0.175 0.000 0.960 116 Y CA -1.176 56.850 58.100 -0.124 0.000 1.228 116 Y CB 1.235 39.594 38.460 -0.168 0.000 1.120 116 Y HN -0.051 nan 8.280 nan 0.000 0.491 117 T N 3.184 117.736 114.554 -0.003 0.000 2.861 117 T HA 0.589 4.939 4.350 -0.001 0.000 0.287 117 T C -1.117 173.565 174.700 -0.030 0.000 1.003 117 T CA -0.553 61.517 62.100 -0.051 0.000 0.977 117 T CB 0.420 69.288 68.868 -0.000 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.217 122.590 120.300 0.122 0.000 2.307 118 Y HA 0.557 5.107 4.550 -0.001 0.000 0.324 118 Y C 1.291 177.262 175.900 0.119 0.000 1.238 118 Y CA -0.783 57.395 58.100 0.131 0.000 1.280 118 Y CB 1.676 40.205 38.460 0.115 0.000 1.248 118 Y HN 0.648 nan 8.280 nan 0.000 0.508 119 S N 1.252 117.164 115.700 0.353 0.000 2.327 119 S HA 0.553 5.022 4.470 -0.001 0.000 0.203 119 S C 0.328 175.052 174.600 0.207 0.000 1.326 119 S CA 0.266 58.618 58.200 0.254 0.000 1.248 119 S CB -0.938 62.409 63.200 0.244 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.034 110.900 108.800 0.109 0.000 3.110 120 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.238 120 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.238 120 G C 0.263 175.128 174.900 -0.058 0.000 1.647 120 G CA 0.083 45.172 45.100 -0.018 0.000 1.146 120 G HN 0.535 nan 8.290 nan 0.000 0.545 121 L N 1.110 122.228 121.223 -0.175 0.000 2.515 121 L HA 0.479 4.818 4.340 -0.001 0.000 0.223 121 L C 1.073 177.995 176.870 0.087 0.000 1.079 121 L CA -0.152 54.647 54.840 -0.069 0.000 0.857 121 L CB -0.031 42.006 42.059 -0.037 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.815 119.270 119.950 0.225 0.000 2.535 122 F HA 0.037 4.563 4.527 -0.001 0.000 0.332 122 F C 0.720 176.698 175.800 0.297 0.000 1.208 122 F CA -0.922 57.206 58.000 0.212 0.000 1.330 122 F CB 0.170 39.221 39.000 0.085 0.000 1.167 122 F HN -0.206 nan 8.300 nan 0.000 0.597 123 C N 3.893 123.492 119.300 0.500 0.000 2.814 123 C HA 0.653 5.112 4.460 -0.001 0.000 0.269 123 C C -0.540 174.572 174.990 0.204 0.000 1.090 123 C CA -0.688 58.538 59.018 0.346 0.000 1.492 123 C CB -1.466 26.426 27.740 0.254 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 4.997 125.009 119.914 0.164 0.000 2.763 124 V HA 0.338 4.458 4.120 -0.001 0.000 0.306 124 V C 0.802 176.953 176.094 0.095 0.000 1.059 124 V CA 0.789 63.130 62.300 0.068 0.000 1.138 124 V CB 1.278 33.112 31.823 0.018 0.000 0.940 124 V HN 0.852 nan 8.190 nan 0.000 0.489 125 T N 3.496 118.074 114.554 0.041 0.000 3.011 125 T HA 0.514 4.863 4.350 -0.001 0.000 0.303 125 T C -0.692 173.940 174.700 -0.115 0.000 0.997 125 T CA -0.357 61.761 62.100 0.029 0.000 1.007 125 T CB 1.523 70.483 68.868 0.154 0.000 1.017 125 T HN 0.456 nan 8.240 nan 0.000 0.443 126 V N 3.677 123.461 119.914 -0.217 0.000 2.459 126 V HA 0.445 4.564 4.120 -0.001 0.000 0.295 126 V C 0.576 176.512 176.094 -0.264 0.000 1.029 126 V CA -1.217 60.902 62.300 -0.301 0.000 0.874 126 V CB 1.544 33.072 31.823 -0.492 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.568 124.068 118.700 -0.334 0.000 2.417 127 N HA 0.055 4.794 4.740 -0.001 0.000 0.272 127 N C -1.441 173.817 175.510 -0.419 0.000 1.304 127 N CA -1.070 51.704 53.050 -0.459 0.000 0.906 127 N CB 1.205 39.229 38.487 -0.770 0.000 1.135 127 N HN 0.487 nan 8.380 nan 0.000 0.483 128 P HA -0.098 nan 4.420 nan 0.000 0.215 128 P C -0.540 176.806 177.300 0.076 0.000 1.157 128 P CA 1.027 64.128 63.100 0.003 0.000 0.863 128 P CB 0.095 31.754 31.700 -0.068 0.000 0.787 132 L N 5.508 125.973 121.223 -1.264 0.000 2.445 132 L HA 0.546 4.886 4.340 -0.001 0.000 0.262 132 L C -1.745 174.076 176.870 -1.749 0.000 0.974 132 L CA -1.840 52.250 54.840 -1.250 0.000 0.822 132 L CB 2.699 44.270 42.059 -0.813 0.000 1.339 132 L HN 0.210 nan 8.230 nan 0.000 0.409 133 P HA 0.032 nan 4.420 nan 0.000 0.258 133 P C 1.046 178.306 177.300 -0.067 0.000 1.319 133 P CA 0.308 63.157 63.100 -0.419 0.000 0.785 133 P CB 0.199 31.950 31.700 0.084 0.000 1.252 134 V N -1.477 118.409 119.914 -0.046 0.000 2.719 134 V HA -0.162 3.958 4.120 -0.001 0.000 0.252 134 V C 1.521 177.933 176.094 0.530 0.000 1.065 134 V CA 1.511 63.990 62.300 0.297 0.000 1.086 134 V CB -1.279 30.742 31.823 0.330 0.000 0.700 134 V HN 0.077 nan 8.190 nan 0.000 0.467 135 Y N -0.131 120.270 120.300 0.169 0.000 2.471 135 Y HA 0.232 4.781 4.550 -0.001 0.000 0.286 135 Y C 1.169 177.230 175.900 0.268 0.000 1.188 135 Y CA -1.163 57.143 58.100 0.342 0.000 1.286 135 Y CB -1.347 37.246 38.460 0.221 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.250 122.159 118.700 0.348 0.000 2.359 136 N HA -0.043 4.697 4.740 -0.001 0.000 0.261 136 N C -2.307 173.289 175.510 0.142 0.000 1.267 136 N CA -0.930 52.268 53.050 0.246 0.000 0.864 136 N CB 0.637 39.259 38.487 0.224 0.000 1.063 136 N HN 0.039 nan 8.380 nan 0.000 0.474 140 V N 1.101 120.834 119.914 -0.301 0.000 2.277 140 V HA -0.352 3.768 4.120 -0.001 0.000 0.255 140 V C 2.308 178.310 176.094 -0.153 0.000 1.074 140 V CA 3.121 65.190 62.300 -0.385 0.000 1.058 140 V CB -0.508 31.127 31.823 -0.314 0.000 0.656 140 V HN 0.485 nan 8.190 nan 0.000 0.449 141 L N -0.177 120.953 121.223 -0.155 0.000 2.044 141 L HA -0.017 4.323 4.340 -0.001 0.000 0.205 141 L C 2.626 179.413 176.870 -0.138 0.000 1.075 141 L CA 2.043 56.803 54.840 -0.134 0.000 0.747 141 L CB -1.203 40.770 42.059 -0.144 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.078 121.596 122.820 -0.243 0.000 1.917 142 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 142 A C 2.066 179.496 177.584 -0.257 0.000 1.182 142 A CA 1.851 53.636 52.037 -0.420 0.000 0.633 142 A CB -1.067 17.365 19.000 -0.948 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.025 119.254 120.300 -0.034 0.000 2.529 143 Y HA 0.176 4.726 4.550 -0.001 0.000 0.290 143 Y C 1.037 176.975 175.900 0.064 0.000 1.177 143 Y CA 0.281 58.422 58.100 0.067 0.000 1.305 143 Y CB -0.053 38.459 38.460 0.087 0.000 1.047 143 Y HN 0.154 nan 8.280 nan 0.000 0.522 144 R N 0.776 121.358 120.500 0.136 0.000 2.242 144 R HA 0.375 4.715 4.340 -0.001 0.000 0.334 144 R C 0.770 177.107 176.300 0.062 0.000 1.071 144 R CA 0.106 56.264 56.100 0.096 0.000 0.922 144 R CB -0.390 29.914 30.300 0.007 0.000 1.023 144 R HN 0.395 nan 8.270 nan 0.000 0.458 145 G N 2.753 111.605 108.800 0.086 0.000 2.132 145 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.234 145 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.234 145 G C -0.460 174.467 174.900 0.045 0.000 0.989 145 G CA 0.090 45.224 45.100 0.055 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.157 121.605 120.400 0.080 0.000 2.265 146 K HA 0.536 4.856 4.320 -0.001 0.000 0.267 146 K C 0.638 177.296 176.600 0.096 0.000 0.994 146 K CA -0.747 55.594 56.287 0.090 0.000 0.860 146 K CB 0.872 33.456 32.500 0.139 0.000 1.099 146 K HN 0.090 nan 8.250 nan 0.000 0.448 147 K N 1.807 122.240 120.400 0.054 0.000 2.336 147 K HA 0.011 4.330 4.320 -0.001 0.000 0.262 147 K C 0.972 177.640 176.600 0.114 0.000 0.992 147 K CA 0.012 56.327 56.287 0.046 0.000 0.927 147 K CB 0.308 32.820 32.500 0.020 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.472 121.039 120.500 0.111 0.000 2.369 148 R HA -0.098 4.241 4.340 -0.001 0.000 0.200 148 R C 0.499 176.896 176.300 0.161 0.000 1.046 148 R CA 1.087 57.285 56.100 0.164 0.000 1.057 148 R CB -0.125 30.220 30.300 0.076 0.000 0.888 148 R HN 0.483 nan 8.270 nan 0.000 0.474 149 Q N 0.473 120.344 119.800 0.118 0.000 2.352 149 Q HA 0.093 4.433 4.340 -0.001 0.000 0.212 149 Q C 0.814 176.883 176.000 0.115 0.000 0.888 149 Q CA 0.423 56.291 55.803 0.109 0.000 0.934 149 Q CB 0.705 29.489 28.738 0.078 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.275 120.546 120.200 0.118 0.000 2.478 150 E HA 0.244 4.594 4.350 -0.001 0.000 0.194 150 E C -0.125 176.551 176.600 0.127 0.000 1.045 150 E CA 0.167 56.630 56.400 0.106 0.000 0.868 150 E CB 0.649 30.401 29.700 0.086 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.683 124.612 122.820 0.181 0.000 2.587 151 A HA 0.524 4.843 4.320 -0.001 0.000 0.293 151 A C -2.784 174.966 177.584 0.278 0.000 1.087 151 A CA -1.554 50.603 52.037 0.201 0.000 0.692 151 A CB 1.138 20.265 19.000 0.212 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.356 nan 4.420 nan 0.000 0.272 152 P C -2.753 174.702 177.300 0.259 0.000 1.240 152 P CA -1.391 61.814 63.100 0.175 0.000 0.791 152 P CB -0.647 31.057 31.700 0.006 0.000 0.978 153 P HA 0.034 nan 4.420 nan 0.000 0.258 153 P C -0.414 176.814 177.300 -0.120 0.000 1.187 153 P CA 1.192 64.086 63.100 -0.343 0.000 0.767 153 P CB -0.252 31.079 31.700 -0.615 0.000 0.770 154 H N 1.611 120.410 119.070 -0.452 0.000 3.094 154 H HA 0.208 4.764 4.556 -0.001 0.000 0.335 154 H C 0.707 175.498 175.328 -0.896 0.000 1.254 154 H CA -0.778 54.760 56.048 -0.851 0.000 1.240 154 H CB 1.366 30.656 29.762 -0.787 0.000 1.936 154 H HN 0.124 nan 8.280 nan 0.000 0.536 155 I N 2.458 122.303 120.570 -1.208 0.000 2.361 155 I HA -0.261 3.908 4.170 -0.001 0.000 0.251 155 I C 1.185 176.618 176.117 -1.141 0.000 1.133 155 I CA 1.298 61.961 61.300 -1.062 0.000 1.413 155 I CB -0.047 37.270 38.000 -1.138 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.517 118.574 119.950 -1.432 0.000 2.502 156 F HA -0.127 4.400 4.527 -0.001 0.000 0.298 156 F C 2.698 177.951 175.800 -0.913 0.000 1.111 156 F CA 0.709 57.913 58.000 -1.327 0.000 1.445 156 F CB -0.779 37.455 39.000 -1.278 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.379 115.677 115.700 -0.670 0.000 2.355 157 S HA -0.149 4.321 4.470 -0.001 0.000 0.222 157 S C 2.156 176.668 174.600 -0.147 0.000 1.031 157 S CA 1.098 59.161 58.200 -0.229 0.000 0.993 157 S CB -0.371 62.843 63.200 0.024 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.504 121.956 120.570 -0.197 0.000 2.142 158 I HA -0.174 3.995 4.170 -0.001 0.000 0.240 158 I C 2.667 178.662 176.117 -0.203 0.000 1.078 158 I CA 1.661 62.874 61.300 -0.144 0.000 1.343 158 I CB -0.465 37.474 38.000 -0.102 0.000 1.046 158 I HN 0.405 nan 8.210 nan 0.000 0.405 159 S N -0.819 114.700 115.700 -0.303 0.000 2.442 159 S HA -0.238 4.231 4.470 -0.001 0.000 0.236 159 S C 1.904 176.410 174.600 -0.156 0.000 1.007 159 S CA 1.679 59.703 58.200 -0.293 0.000 0.965 159 S CB -0.396 62.398 63.200 -0.677 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.752 121.071 120.400 -0.134 0.000 2.259 160 D HA 0.019 4.659 4.640 -0.001 0.000 0.216 160 D C 1.767 178.158 176.300 0.153 0.000 0.961 160 D CA 0.388 54.456 54.000 0.114 0.000 0.878 160 D CB -0.290 40.599 40.800 0.149 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.879 119.611 118.700 0.053 0.000 2.149 161 N HA -0.152 4.587 4.740 -0.001 0.000 0.188 161 N C 1.854 177.482 175.510 0.196 0.000 1.019 161 N CA 1.001 54.084 53.050 0.055 0.000 0.857 161 N CB 0.039 38.573 38.487 0.079 0.000 0.997 161 N HN 0.157 nan 8.380 nan 0.000 0.426 162 A N 0.959 123.814 122.820 0.057 0.000 1.851 162 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 162 A C 2.098 179.822 177.584 0.233 0.000 1.195 162 A CA 1.286 53.357 52.037 0.058 0.000 0.622 162 A CB -1.211 17.836 19.000 0.078 0.000 0.831 162 A HN 0.377 nan 8.150 nan 0.000 0.444 163 Y N 0.544 120.932 120.300 0.148 0.000 2.081 163 Y HA -0.308 4.242 4.550 -0.001 0.000 0.280 163 Y C 2.655 178.561 175.900 0.009 0.000 1.163 163 Y CA 2.294 60.428 58.100 0.057 0.000 1.135 163 Y CB -0.673 37.876 38.460 0.149 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.158 118.699 119.800 0.095 0.000 1.927 164 Q HA -0.256 4.083 4.340 -0.001 0.000 0.210 164 Q C 2.180 178.130 176.000 -0.083 0.000 1.001 164 Q CA 2.135 57.894 55.803 -0.074 0.000 0.862 164 Q CB -0.703 27.936 28.738 -0.165 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.720 120.654 119.950 -0.027 0.000 2.141 165 F HA -0.322 4.205 4.527 -0.001 0.000 0.300 165 F C 2.375 178.118 175.800 -0.095 0.000 1.079 165 F CA 1.471 59.473 58.000 0.004 0.000 1.264 165 F CB -0.547 38.523 39.000 0.118 0.000 1.011 165 F HN 0.246 nan 8.300 nan 0.000 0.487 166 M N -0.322 119.308 119.600 0.051 0.000 2.059 166 M HA -0.234 4.246 4.480 -0.001 0.000 0.259 166 M C 2.084 178.148 176.300 -0.393 0.000 1.072 166 M CA 2.041 57.217 55.300 -0.208 0.000 1.117 166 M CB -0.451 31.989 32.600 -0.267 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.848 120.154 121.223 -0.369 0.000 2.156 167 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 167 L C 2.300 179.061 176.870 -0.181 0.000 1.095 167 L CA 1.258 55.915 54.840 -0.305 0.000 0.770 167 L CB -1.361 40.541 42.059 -0.263 0.000 0.914 167 L HN 0.273 nan 8.230 nan 0.000 0.439 168 T N -0.307 114.177 114.554 -0.116 0.000 2.701 168 T HA -0.130 4.220 4.350 -0.001 0.000 0.263 168 T C 1.299 175.985 174.700 -0.024 0.000 1.040 168 T CA 1.726 63.795 62.100 -0.051 0.000 1.147 168 T CB -0.217 68.632 68.868 -0.032 0.000 0.865 168 T HN 0.365 nan 8.240 nan 0.000 0.426 169 D N 0.324 120.727 120.400 0.006 0.000 2.348 169 D HA 0.099 4.738 4.640 -0.001 0.000 0.211 169 D C 0.621 176.866 176.300 -0.091 0.000 0.998 169 D CA 0.069 54.065 54.000 -0.006 0.000 0.873 169 D CB -0.060 40.770 40.800 0.049 0.000 0.925 169 D HN 0.249 nan 8.370 nan 0.000 0.524 170 R N 0.478 120.847 120.500 -0.219 0.000 3.531 170 R HA -0.153 4.186 4.340 -0.001 0.000 0.280 170 R C -0.618 175.527 176.300 -0.259 0.000 1.130 170 R CA 0.663 56.561 56.100 -0.338 0.000 0.757 170 R CB -2.294 27.954 30.300 -0.087 0.000 1.218 170 R HN 0.413 nan 8.270 nan 0.000 0.454 171 E N 0.540 120.581 120.200 -0.265 0.000 2.299 171 E HA 0.360 4.710 4.350 -0.001 0.000 0.265 171 E C -0.164 176.325 176.600 -0.186 0.000 0.911 171 E CA -1.065 55.247 56.400 -0.148 0.000 0.789 171 E CB 1.280 30.925 29.700 -0.092 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.480 120.084 118.700 -0.161 0.000 2.445 172 N HA 0.183 4.923 4.740 -0.001 0.000 0.264 172 N C -0.366 175.003 175.510 -0.235 0.000 1.227 172 N CA -0.325 52.532 53.050 -0.321 0.000 0.963 172 N CB 0.974 38.998 38.487 -0.771 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.402 119.234 119.800 -0.274 0.000 2.495 173 Q HA 0.619 4.959 4.340 -0.001 0.000 0.283 173 Q C -1.055 174.913 176.000 -0.053 0.000 1.097 173 Q CA -0.680 55.072 55.803 -0.085 0.000 0.836 173 Q CB 1.865 30.608 28.738 0.008 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.645 115.079 115.700 0.041 0.000 2.565 174 S HA 0.803 5.272 4.470 -0.001 0.000 0.269 174 S C -1.405 173.243 174.600 0.081 0.000 1.153 174 S CA -0.729 57.530 58.200 0.098 0.000 0.835 174 S CB 0.784 64.065 63.200 0.134 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.402 122.043 120.570 0.119 0.000 2.512 175 I HA 0.395 4.565 4.170 -0.001 0.000 0.287 175 I C -1.667 174.521 176.117 0.118 0.000 1.069 175 I CA -0.487 60.877 61.300 0.106 0.000 1.056 175 I CB 1.850 39.937 38.000 0.144 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.797 129.066 121.223 0.077 0.000 2.277 176 L HA 0.515 4.855 4.340 -0.001 0.000 0.284 176 L C -0.400 176.579 176.870 0.181 0.000 1.028 176 L CA -0.045 54.883 54.840 0.145 0.000 0.835 176 L CB 0.722 42.880 42.059 0.164 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.363 123.025 120.570 0.152 0.000 2.353 177 I HA 0.584 4.754 4.170 -0.001 0.000 0.293 177 I C 0.419 176.601 176.117 0.108 0.000 0.992 177 I CA 0.303 61.676 61.300 0.123 0.000 1.268 177 I CB 1.630 39.691 38.000 0.102 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.477 118.079 114.554 0.079 0.000 3.012 178 T HA 0.769 5.118 4.350 -0.001 0.000 0.330 178 T C -0.645 174.069 174.700 0.023 0.000 1.321 178 T CA -0.647 61.489 62.100 0.060 0.000 1.067 178 T CB 1.800 70.710 68.868 0.071 0.000 1.235 178 T HN 0.943 nan 8.240 nan 0.000 0.479 179 G N 1.560 110.376 108.800 0.027 0.000 2.356 179 G HA2 0.505 4.464 3.960 -0.001 0.000 0.294 179 G HA3 0.505 4.464 3.960 -0.001 0.000 0.294 179 G C -1.556 173.360 174.900 0.027 0.000 1.423 179 G CA -0.870 44.236 45.100 0.010 0.000 0.806 179 G HN 0.691 nan 8.290 nan 0.000 0.527 180 E N 0.210 120.425 120.200 0.024 0.000 2.391 180 E HA 0.286 4.635 4.350 -0.001 0.000 0.255 180 E C 1.203 177.833 176.600 0.050 0.000 1.187 180 E CA 0.112 56.537 56.400 0.043 0.000 0.941 180 E CB 1.126 30.853 29.700 0.044 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.850 116.591 115.700 0.068 0.000 2.399 181 S HA -0.216 4.253 4.470 -0.001 0.000 0.235 181 S C 1.591 176.226 174.600 0.059 0.000 1.063 181 S CA 1.974 60.211 58.200 0.063 0.000 1.070 181 S CB -0.478 62.765 63.200 0.071 0.000 0.904 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.968 107.871 108.800 0.066 0.000 3.126 182 G HA2 0.455 4.414 3.960 -0.001 0.000 0.224 182 G HA3 0.455 4.414 3.960 -0.001 0.000 0.224 182 G C 1.243 176.190 174.900 0.079 0.000 1.142 182 G CA 0.586 45.739 45.100 0.087 0.000 0.759 182 G HN 0.571 nan 8.290 nan 0.000 0.550 183 A N 0.332 123.176 122.820 0.041 0.000 2.070 183 A HA 0.381 4.700 4.320 -0.001 0.000 0.220 183 A C 1.932 179.515 177.584 -0.001 0.000 1.159 183 A CA 1.492 53.531 52.037 0.003 0.000 0.656 183 A CB -0.537 18.458 19.000 -0.008 0.000 0.800 183 A HN 1.629 nan 8.150 nan 0.000 0.453 184 G N -0.562 108.256 108.800 0.031 0.000 2.452 184 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.275 184 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.275 184 G C 0.402 175.329 174.900 0.045 0.000 1.131 184 G CA 0.505 45.629 45.100 0.039 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.491 119.936 120.400 0.044 0.000 2.067 185 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 185 K C 2.560 179.197 176.600 0.061 0.000 1.048 185 K CA 1.478 57.796 56.287 0.051 0.000 0.954 185 K CB -0.448 32.079 32.500 0.046 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.159 116.744 114.554 0.053 0.000 2.649 186 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 186 T C 2.202 176.956 174.700 0.090 0.000 1.036 186 T CA 2.026 64.164 62.100 0.063 0.000 1.157 186 T CB -0.901 68.002 68.868 0.058 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.689 122.659 119.914 0.092 0.000 2.282 187 V HA -0.261 3.858 4.120 -0.001 0.000 0.249 187 V C 2.492 178.670 176.094 0.140 0.000 1.057 187 V CA 1.901 64.269 62.300 0.113 0.000 1.032 187 V CB -0.816 31.066 31.823 0.098 0.000 0.645 187 V HN 0.446 nan 8.190 nan 0.000 0.447 188 N N 0.243 119.012 118.700 0.114 0.000 2.106 188 N HA -0.066 4.673 4.740 -0.001 0.000 0.188 188 N C 1.189 176.731 175.510 0.054 0.000 1.029 188 N CA 1.409 54.507 53.050 0.081 0.000 0.848 188 N CB -0.608 37.910 38.487 0.052 0.000 1.007 188 N HN 0.572 nan 8.380 nan 0.000 0.423 192 V N 1.742 121.653 119.914 -0.006 0.000 2.379 192 V HA -0.173 3.946 4.120 -0.001 0.000 0.245 192 V C 2.136 178.319 176.094 0.148 0.000 1.044 192 V CA 1.912 64.192 62.300 -0.034 0.000 1.036 192 V CB -0.337 31.499 31.823 0.021 0.000 0.664 192 V HN 0.250 nan 8.190 nan 0.000 0.453 193 I N 0.121 120.821 120.570 0.217 0.000 2.163 193 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 193 I C 2.779 179.048 176.117 0.253 0.000 1.085 193 I CA 1.669 63.142 61.300 0.287 0.000 1.347 193 I CB -0.936 37.188 38.000 0.208 0.000 1.044 193 I HN 0.441 nan 8.210 nan 0.000 0.408 194 Q N 0.088 120.008 119.800 0.199 0.000 2.077 194 Q HA -0.288 4.051 4.340 -0.001 0.000 0.206 194 Q C 2.213 178.302 176.000 0.149 0.000 0.989 194 Q CA 2.015 57.921 55.803 0.172 0.000 0.853 194 Q CB -0.940 27.909 28.738 0.185 0.000 0.907 194 Q HN 0.524 nan 8.270 nan 0.000 0.418 195 Y N 0.825 121.144 120.300 0.031 0.000 2.069 195 Y HA -0.305 4.245 4.550 -0.001 0.000 0.278 195 Y C 2.059 177.839 175.900 -0.199 0.000 1.175 195 Y CA 1.704 59.746 58.100 -0.098 0.000 1.134 195 Y CB -0.527 37.812 38.460 -0.200 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.477 119.589 119.950 0.193 0.000 2.069 196 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 196 F C 2.634 178.468 175.800 0.056 0.000 1.113 196 F CA 1.441 59.523 58.000 0.138 0.000 1.214 196 F CB -1.435 37.796 39.000 0.385 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.117 123.082 122.820 0.242 0.000 1.883 197 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 197 A C 2.270 179.875 177.584 0.035 0.000 1.186 197 A CA 2.774 54.894 52.037 0.138 0.000 0.624 197 A CB -1.482 17.583 19.000 0.108 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.718 115.240 114.554 -0.053 0.000 2.569 198 T HA -0.189 4.161 4.350 -0.001 0.000 0.263 198 T C 1.824 176.410 174.700 -0.189 0.000 1.074 198 T CA 1.437 63.461 62.100 -0.126 0.000 1.176 198 T CB -0.975 67.785 68.868 -0.180 0.000 0.863 198 T HN 0.812 nan 8.240 nan 0.000 0.410 199 I N 0.232 120.574 120.570 -0.380 0.000 3.233 199 I HA 0.281 4.451 4.170 -0.001 0.000 0.287 199 I C 0.883 176.838 176.117 -0.270 0.000 1.329 199 I CA 0.911 61.966 61.300 -0.409 0.000 1.385 199 I CB -0.836 36.750 38.000 -0.690 0.000 1.053 199 I HN 0.348 nan 8.210 nan 0.000 0.525 200 A N 0.314 123.070 122.820 -0.107 0.000 3.318 200 A HA 0.754 5.074 4.320 -0.001 0.000 0.209 200 A C 0.155 177.825 177.584 0.143 0.000 1.102 200 A CA 0.059 52.123 52.037 0.046 0.000 1.128 200 A CB -0.620 18.428 19.000 0.080 0.000 1.310 200 A HN 0.498 nan 8.150 nan 0.000 0.726 201 A N 0.203 123.067 122.820 0.074 0.000 3.804 201 A HA 0.937 5.256 4.320 -0.001 0.000 0.174 201 A C 0.866 178.485 177.584 0.059 0.000 1.510 201 A CA 0.454 52.535 52.037 0.074 0.000 1.542 201 A CB -0.227 18.798 19.000 0.042 0.000 1.611 201 A HN 2.183 nan 8.150 nan 0.000 0.626 202 S N -2.369 113.354 115.700 0.039 0.000 3.956 202 S HA 0.043 4.512 4.470 -0.001 0.000 0.685 202 S C 0.451 175.071 174.600 0.032 0.000 0.569 202 S CA 0.941 59.161 58.200 0.033 0.000 1.348 202 S CB -1.692 61.534 63.200 0.043 0.000 0.726 202 S HN 2.285 nan 8.310 nan 0.000 0.895 203 G N 1.145 109.959 108.800 0.024 0.000 3.042 203 G HA2 0.468 4.428 3.960 -0.001 0.000 0.212 203 G HA3 0.468 4.428 3.960 -0.001 0.000 0.212 203 G C 0.721 175.629 174.900 0.014 0.000 1.166 203 G CA 0.665 45.776 45.100 0.018 0.000 0.767 203 G HN 1.040 nan 8.290 nan 0.000 0.546 204 E N -0.555 119.653 120.200 0.015 0.000 4.277 204 E HA -0.373 3.977 4.350 -0.001 0.000 0.189 204 E C 1.766 178.371 176.600 0.009 0.000 1.264 204 E CA 2.003 58.410 56.400 0.012 0.000 2.321 204 E CB -0.955 28.752 29.700 0.012 0.000 1.841 204 E HN 0.444 nan 8.360 nan 0.000 0.373 205 K N 1.022 121.426 120.400 0.007 0.000 2.116 205 K HA 0.008 4.327 4.320 -0.001 0.000 0.203 205 K C 1.862 178.466 176.600 0.005 0.000 1.052 205 K CA 1.147 57.437 56.287 0.005 0.000 0.952 205 K CB -0.087 32.415 32.500 0.003 0.000 0.729 205 K HN 0.129 nan 8.250 nan 0.000 0.446 206 K N 1.052 121.456 120.400 0.006 0.000 2.439 206 K HA -0.037 4.282 4.320 -0.001 0.000 0.197 206 K C 1.525 178.131 176.600 0.009 0.000 1.041 206 K CA 0.695 56.986 56.287 0.006 0.000 0.970 206 K CB 0.141 32.644 32.500 0.006 0.000 0.773 206 K HN 0.093 nan 8.250 nan 0.000 0.479 207 K N 1.225 121.630 120.400 0.009 0.000 2.288 207 K HA -0.040 4.279 4.320 -0.001 0.000 0.201 207 K C 0.218 176.823 176.600 0.008 0.000 1.048 207 K CA 0.611 56.904 56.287 0.009 0.000 0.956 207 K CB 0.089 32.594 32.500 0.008 0.000 0.746 207 K HN 0.273 nan 8.250 nan 0.000 0.461 208 E N 1.518 121.723 120.200 0.008 0.000 2.404 208 E HA -0.022 4.327 4.350 -0.001 0.000 0.261 208 E C -0.542 176.063 176.600 0.009 0.000 1.074 208 E CA 0.041 56.445 56.400 0.007 0.000 0.917 208 E CB 0.499 30.203 29.700 0.006 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.124 122.328 120.200 0.008 0.000 2.148 209 E HA -0.011 4.339 4.350 -0.001 0.000 0.308 209 E C -0.704 175.901 176.600 0.009 0.000 1.278 209 E CA 0.180 56.586 56.400 0.009 0.000 1.368 209 E CB -0.052 29.654 29.700 0.009 0.000 1.229 209 E HN 0.254 nan 8.360 nan 0.000 0.494 210 Q N 0.662 120.468 119.800 0.009 0.000 3.147 210 Q HA 0.092 4.432 4.340 -0.001 0.000 0.224 210 Q C -0.468 175.538 176.000 0.010 0.000 0.901 210 Q CA -0.420 55.389 55.803 0.009 0.000 0.729 210 Q CB 1.497 30.240 28.738 0.007 0.000 1.363 210 Q HN 0.503 nan 8.270 nan 0.000 0.467 211 S N -1.283 114.424 115.700 0.012 0.000 3.635 211 S HA -0.192 4.277 4.470 -0.001 0.000 0.328 211 S C 0.495 175.104 174.600 0.015 0.000 1.135 211 S CA 0.362 58.570 58.200 0.013 0.000 0.942 211 S CB -2.227 60.981 63.200 0.013 0.000 0.930 211 S HN 0.844 nan 8.310 nan 0.000 0.512 212 G N 0.811 109.620 108.800 0.015 0.000 2.225 212 G HA2 0.364 4.323 3.960 -0.001 0.000 0.245 212 G HA3 0.364 4.323 3.960 -0.001 0.000 0.245 212 G C 0.687 175.599 174.900 0.020 0.000 1.249 212 G CA 0.267 45.377 45.100 0.016 0.000 0.919 212 G HN 0.938 nan 8.290 nan 0.000 0.486 213 K N -0.079 120.333 120.400 0.020 0.000 3.548 213 K HA -0.148 4.172 4.320 -0.001 0.000 0.296 213 K C 0.902 177.517 176.600 0.024 0.000 1.324 213 K CA 0.871 57.173 56.287 0.024 0.000 0.976 213 K CB -1.108 31.411 32.500 0.031 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.554 121.167 119.600 0.021 0.000 2.157 214 M HA 0.109 4.588 4.480 -0.001 0.000 0.304 214 M C 0.801 177.111 176.300 0.017 0.000 1.171 214 M CA 0.532 55.845 55.300 0.022 0.000 1.157 214 M CB 0.040 32.651 32.600 0.020 0.000 1.403 214 M HN 0.041 nan 8.290 nan 0.000 0.473 215 Q N 0.031 119.843 119.800 0.019 0.000 2.315 215 Q HA 0.291 4.630 4.340 -0.001 0.000 0.289 215 Q C 0.839 176.841 176.000 0.004 0.000 1.044 215 Q CA 0.991 56.801 55.803 0.012 0.000 0.920 215 Q CB 0.158 28.908 28.738 0.019 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.812 110.608 108.800 -0.006 0.000 2.367 216 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.181 216 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.181 216 G C 0.015 174.908 174.900 -0.011 0.000 1.000 216 G CA -0.111 44.983 45.100 -0.010 0.000 0.693 216 G HN 0.561 nan 8.290 nan 0.000 0.480 217 T N 1.891 116.440 114.554 -0.008 0.000 2.909 217 T HA 0.649 4.999 4.350 -0.001 0.000 0.299 217 T C -0.963 173.731 174.700 -0.010 0.000 1.073 217 T CA -0.501 61.594 62.100 -0.008 0.000 0.999 217 T CB 2.447 71.316 68.868 0.001 0.000 1.098 217 T HN 1.011 nan 8.240 nan 0.000 0.477 218 L N 1.556 122.769 121.223 -0.015 0.000 2.296 218 L HA 0.806 5.145 4.340 -0.001 0.000 0.286 218 L C 0.127 176.995 176.870 -0.004 0.000 1.023 218 L CA -0.277 54.552 54.840 -0.018 0.000 0.812 218 L CB 0.648 42.684 42.059 -0.039 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.353 121.557 120.200 0.007 0.000 3.026 219 E HA -0.135 4.214 4.350 -0.001 0.000 0.271 219 E C 0.304 176.922 176.600 0.031 0.000 0.499 219 E CA 0.784 57.198 56.400 0.024 0.000 1.976 219 E CB -0.562 29.153 29.700 0.026 0.000 2.815 219 E HN 0.792 nan 8.360 nan 0.000 0.619 220 D N 0.511 120.923 120.400 0.020 0.000 2.414 220 D HA -0.015 4.624 4.640 -0.001 0.000 0.237 220 D C 1.773 178.085 176.300 0.020 0.000 0.975 220 D CA 0.989 55.004 54.000 0.025 0.000 0.917 220 D CB -0.205 40.607 40.800 0.020 0.000 1.061 220 D HN 0.238 nan 8.370 nan 0.000 0.480 221 Q N 0.985 120.787 119.800 0.003 0.000 2.077 221 Q HA -0.159 4.180 4.340 -0.001 0.000 0.206 221 Q C 2.324 178.322 176.000 -0.003 0.000 0.989 221 Q CA 0.969 56.767 55.803 -0.009 0.000 0.853 221 Q CB -0.257 28.458 28.738 -0.038 0.000 0.907 221 Q HN 0.266 nan 8.270 nan 0.000 0.418 222 I N 1.283 121.851 120.570 -0.004 0.000 2.113 222 I HA -0.300 3.869 4.170 -0.001 0.000 0.242 222 I C 2.497 178.634 176.117 0.034 0.000 1.064 222 I CA 1.535 62.838 61.300 0.005 0.000 1.320 222 I CB -0.852 37.156 38.000 0.013 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N 0.001 120.599 120.570 0.046 0.000 2.162 223 I HA -0.221 3.949 4.170 -0.001 0.000 0.238 223 I C 2.552 178.707 176.117 0.065 0.000 1.076 223 I CA 1.081 62.420 61.300 0.066 0.000 1.353 223 I CB -0.706 37.335 38.000 0.069 0.000 1.063 223 I HN 0.134 nan 8.210 nan 0.000 0.408 224 S N 1.064 116.795 115.700 0.052 0.000 2.441 224 S HA -0.237 4.232 4.470 -0.001 0.000 0.242 224 S C 2.145 176.781 174.600 0.060 0.000 1.018 224 S CA 1.271 59.503 58.200 0.054 0.000 0.988 224 S CB -0.420 62.806 63.200 0.044 0.000 0.778 224 S HN 0.549 nan 8.310 nan 0.000 0.498 225 A N 3.226 126.075 122.820 0.049 0.000 1.859 225 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 225 A C 1.955 179.588 177.584 0.082 0.000 1.198 225 A CA 1.910 53.974 52.037 0.045 0.000 0.629 225 A CB -0.929 18.086 19.000 0.025 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.550 119.314 118.700 0.107 0.000 2.027 226 N HA -0.174 4.566 4.740 -0.001 0.000 0.200 226 N C -0.923 174.690 175.510 0.172 0.000 1.042 226 N CA 2.049 55.191 53.050 0.153 0.000 0.871 226 N CB -2.279 36.297 38.487 0.149 0.000 1.063 226 N HN 0.349 nan 8.380 nan 0.000 0.438 227 P HA -0.088 nan 4.420 nan 0.000 0.227 227 P C 1.549 178.933 177.300 0.140 0.000 1.145 227 P CA 0.671 63.852 63.100 0.135 0.000 0.769 227 P CB -0.002 31.758 31.700 0.099 0.000 0.769 228 L N -1.327 119.984 121.223 0.145 0.000 2.185 228 L HA 0.068 4.408 4.340 -0.001 0.000 0.198 228 L C 2.099 179.149 176.870 0.300 0.000 1.079 228 L CA 1.290 56.233 54.840 0.173 0.000 0.780 228 L CB -1.441 40.669 42.059 0.084 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.485 121.844 121.223 0.225 0.000 2.051 229 L HA -0.255 4.084 4.340 -0.001 0.000 0.214 229 L C 2.592 179.758 176.870 0.494 0.000 1.076 229 L CA 1.767 56.786 54.840 0.299 0.000 0.758 229 L CB -1.245 40.976 42.059 0.271 0.000 0.890 229 L HN 0.436 nan 8.230 nan 0.000 0.433 230 E N -1.104 119.344 120.200 0.412 0.000 2.153 230 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 230 E C 2.167 178.978 176.600 0.352 0.000 0.988 230 E CA 1.098 57.739 56.400 0.401 0.000 0.811 230 E CB -0.116 29.773 29.700 0.315 0.000 0.746 230 E HN 0.525 nan 8.360 nan 0.000 0.466 231 A N 0.267 123.225 122.820 0.229 0.000 2.015 231 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 231 A C 1.655 179.124 177.584 -0.191 0.000 1.163 231 A CA 1.022 53.062 52.037 0.006 0.000 0.646 231 A CB -0.332 18.500 19.000 -0.281 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.238 118.798 119.950 0.143 0.000 2.559 232 F HA 0.252 4.779 4.527 -0.001 0.000 0.286 232 F C 2.259 178.008 175.800 -0.084 0.000 1.108 232 F CA 0.728 58.761 58.000 0.054 0.000 1.436 232 F CB -0.047 38.974 39.000 0.035 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.756 108.264 108.800 0.366 0.000 3.393 233 G HA2 0.160 4.119 3.960 -0.001 0.000 0.255 233 G HA3 0.160 4.119 3.960 -0.001 0.000 0.255 233 G C -0.296 175.066 174.900 0.771 0.000 1.097 233 G CA -0.037 45.295 45.100 0.385 0.000 0.780 233 G HN 0.071 nan 8.290 nan 0.000 0.540 234 N N -0.225 118.788 118.700 0.522 0.000 2.265 234 N HA 0.825 5.564 4.740 -0.001 0.000 0.300 234 N C -0.326 174.977 175.510 -0.346 0.000 1.148 234 N CA -0.006 53.140 53.050 0.160 0.000 0.772 234 N CB 2.326 40.926 38.487 0.188 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.089 120.979 119.914 -0.040 0.000 2.913 238 V HA -0.040 4.079 4.120 -0.001 0.000 0.260 238 V C 1.993 178.075 176.094 -0.021 0.000 1.098 238 V CA 1.756 64.034 62.300 -0.037 0.000 1.121 238 V CB -0.498 31.299 31.823 -0.043 0.000 0.714 238 V HN 0.666 nan 8.190 nan 0.000 0.487 239 R N -0.524 119.974 120.500 -0.004 0.000 2.087 239 R HA 0.163 4.502 4.340 -0.001 0.000 0.213 239 R C 0.900 177.218 176.300 0.030 0.000 1.137 239 R CA 0.365 56.475 56.100 0.017 0.000 1.022 239 R CB -0.072 30.251 30.300 0.038 0.000 0.920 239 R HN 0.428 nan 8.270 nan 0.000 0.451 240 N N 0.068 118.789 118.700 0.036 0.000 2.483 240 N HA 0.050 4.790 4.740 -0.001 0.000 0.285 240 N C -0.398 175.136 175.510 0.040 0.000 1.210 240 N CA -0.112 52.970 53.050 0.053 0.000 0.931 240 N CB 1.601 40.129 38.487 0.068 0.000 1.220 240 N HN -0.154 nan 8.380 nan 0.000 0.542 241 D N -0.594 119.839 120.400 0.054 0.000 2.423 241 D HA 0.119 4.758 4.640 -0.001 0.000 0.208 241 D C -0.396 175.972 176.300 0.114 0.000 1.068 241 D CA 0.525 54.556 54.000 0.052 0.000 0.860 241 D CB 0.190 41.005 40.800 0.024 0.000 0.992 241 D HN 0.406 nan 8.370 nan 0.000 0.504 242 N N -0.055 118.723 118.700 0.130 0.000 2.703 242 N HA 0.102 4.841 4.740 -0.001 0.000 0.283 242 N C -1.402 174.192 175.510 0.140 0.000 1.851 242 N CA -0.059 53.116 53.050 0.208 0.000 0.826 242 N CB 0.656 39.257 38.487 0.189 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.212 115.541 115.700 0.088 0.000 2.565 243 S HA 0.269 4.739 4.470 -0.001 0.000 0.276 243 S C 0.108 174.728 174.600 0.032 0.000 1.326 243 S CA -0.195 58.033 58.200 0.047 0.000 1.045 243 S CB 0.492 63.705 63.200 0.023 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.263 118.956 115.700 -0.012 0.000 2.430 244 S HA 0.207 4.677 4.470 -0.001 0.000 0.282 244 S C 0.935 175.492 174.600 -0.071 0.000 1.186 244 S CA -0.490 57.637 58.200 -0.122 0.000 1.060 244 S CB 0.014 63.068 63.200 -0.243 0.000 0.966 244 S HN 0.577 nan 8.310 nan 0.000 0.501 245 R N 3.379 123.935 120.500 0.092 0.000 2.480 245 R HA 0.198 4.538 4.340 -0.001 0.000 0.277 245 R C -0.428 176.061 176.300 0.315 0.000 1.008 245 R CA 0.105 56.323 56.100 0.197 0.000 1.090 245 R CB -0.566 29.855 30.300 0.201 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.762 116.263 119.950 0.124 0.000 2.741 246 F HA 0.709 5.235 4.527 -0.001 0.000 0.313 246 F C -0.248 175.663 175.800 0.186 0.000 1.153 246 F CA -1.531 56.549 58.000 0.132 0.000 0.931 246 F CB 0.530 39.589 39.000 0.097 0.000 1.335 246 F HN -0.135 nan 8.300 nan 0.000 0.460 250 I N 5.510 125.921 120.570 -0.265 0.000 2.359 250 I HA 0.540 4.709 4.170 -0.001 0.000 0.294 250 I C -0.242 175.560 176.117 -0.524 0.000 0.987 250 I CA -0.730 60.387 61.300 -0.304 0.000 1.225 250 I CB 1.785 39.721 38.000 -0.106 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.988 126.225 120.500 -0.438 0.000 2.275 251 R HA 0.530 4.869 4.340 -0.001 0.000 0.326 251 R C -1.031 175.078 176.300 -0.318 0.000 0.973 251 R CA -0.482 55.325 56.100 -0.488 0.000 0.854 251 R CB 0.997 30.867 30.300 -0.717 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.471 123.881 120.570 -0.266 0.000 2.322 252 I HA 0.110 4.279 4.170 -0.001 0.000 0.292 252 I C -0.047 175.801 176.117 -0.449 0.000 1.060 252 I CA -0.374 60.705 61.300 -0.368 0.000 1.309 252 I CB 0.529 38.242 38.000 -0.478 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.469 125.347 119.070 -0.319 0.000 2.846 253 H HA 0.319 4.875 4.556 -0.001 0.000 0.278 253 H C -0.550 174.622 175.328 -0.259 0.000 1.117 253 H CA -0.084 55.881 56.048 -0.139 0.000 1.406 253 H CB 0.171 29.879 29.762 -0.090 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.014 121.069 119.950 0.175 0.000 2.380 254 F HA 0.321 4.847 4.527 -0.001 0.000 0.325 254 F C 1.601 177.455 175.800 0.089 0.000 1.136 254 F CA 0.032 58.127 58.000 0.158 0.000 1.171 254 F CB 0.801 39.931 39.000 0.217 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.242 109.200 108.800 0.264 0.000 2.494 255 G HA2 0.414 4.374 3.960 -0.001 0.000 0.270 255 G HA3 0.414 4.374 3.960 -0.001 0.000 0.270 255 G C 0.697 175.606 174.900 0.015 0.000 1.423 255 G CA -0.053 45.105 45.100 0.097 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.445 121.364 122.820 -0.018 0.000 1.903 256 A HA 0.082 4.401 4.320 -0.001 0.000 0.213 256 A C 2.552 180.175 177.584 0.065 0.000 1.185 256 A CA 2.346 54.361 52.037 -0.036 0.000 0.628 256 A CB -1.136 17.846 19.000 -0.029 0.000 0.830 256 A HN 0.835 nan 8.150 nan 0.000 0.446 257 T N -3.142 111.456 114.554 0.073 0.000 2.622 257 T HA 0.232 4.581 4.350 -0.001 0.000 0.266 257 T C 1.524 176.293 174.700 0.116 0.000 1.047 257 T CA 2.049 64.201 62.100 0.086 0.000 1.159 257 T CB -0.595 68.324 68.868 0.085 0.000 0.863 257 T HN 1.524 nan 8.240 nan 0.000 0.422 258 G N 0.231 109.130 108.800 0.165 0.000 2.870 258 G HA2 0.020 3.979 3.960 -0.001 0.000 0.216 258 G HA3 0.020 3.979 3.960 -0.001 0.000 0.216 258 G C -0.177 174.942 174.900 0.366 0.000 0.973 258 G CA -0.588 44.634 45.100 0.203 0.000 0.807 258 G HN 0.500 nan 8.290 nan 0.000 0.573 259 K N 0.979 121.559 120.400 0.299 0.000 2.110 259 K HA 0.534 4.854 4.320 -0.001 0.000 0.263 259 K C 0.870 177.666 176.600 0.326 0.000 0.975 259 K CA -0.797 55.673 56.287 0.305 0.000 0.895 259 K CB 1.932 34.538 32.500 0.177 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.497 122.910 121.223 0.317 0.000 2.640 260 L HA -0.247 4.093 4.340 -0.001 0.000 0.300 260 L C 1.059 177.948 176.870 0.032 0.000 1.259 260 L CA 0.552 55.457 54.840 0.108 0.000 0.879 260 L CB 0.285 42.379 42.059 0.058 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.743 124.531 122.820 -0.052 0.000 1.895 261 A HA 0.385 4.705 4.320 -0.001 0.000 0.198 261 A C 0.352 177.894 177.584 -0.070 0.000 1.709 261 A CA 0.288 52.304 52.037 -0.034 0.000 1.194 261 A CB 0.576 19.575 19.000 -0.002 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.945 113.706 115.700 -0.082 0.000 2.615 262 S HA 0.760 5.229 4.470 -0.001 0.000 0.269 262 S C -0.618 173.958 174.600 -0.040 0.000 1.161 262 S CA -0.093 58.054 58.200 -0.089 0.000 0.817 262 S CB 1.545 64.636 63.200 -0.181 0.000 1.131 262 S HN 1.479 nan 8.310 nan 0.000 0.467 263 A N 0.479 123.271 122.820 -0.046 0.000 2.532 263 A HA 0.888 5.208 4.320 -0.001 0.000 0.290 263 A C -1.924 175.631 177.584 -0.048 0.000 1.143 263 A CA -0.478 51.536 52.037 -0.039 0.000 0.728 263 A CB 1.692 20.643 19.000 -0.081 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.116 121.469 120.400 -0.078 0.000 2.354 264 D HA 0.351 4.991 4.640 -0.001 0.000 0.230 264 D C -1.247 174.984 176.300 -0.116 0.000 1.361 264 D CA -0.021 53.919 54.000 -0.100 0.000 0.992 264 D CB 0.847 41.591 40.800 -0.094 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.454 121.965 120.570 -0.098 0.000 2.566 265 I HA 0.413 4.583 4.170 -0.001 0.000 0.303 265 I C 0.275 176.354 176.117 -0.064 0.000 0.983 265 I CA -0.534 60.726 61.300 -0.067 0.000 1.235 265 I CB 1.809 39.771 38.000 -0.064 0.000 1.386 265 I HN 0.212 nan 8.210 nan 0.000 0.494 266 E N 2.193 122.377 120.200 -0.026 0.000 2.304 266 E HA 0.406 4.755 4.350 -0.001 0.000 0.277 266 E C -1.575 174.878 176.600 -0.246 0.000 0.898 266 E CA -0.494 55.824 56.400 -0.136 0.000 0.764 266 E CB 2.150 31.781 29.700 -0.114 0.000 1.216 266 E HN 0.545 nan 8.360 nan 0.000 0.419 267 T N 2.715 117.084 114.554 -0.310 0.000 2.855 267 T HA 0.536 4.885 4.350 -0.001 0.000 0.281 267 T C -1.409 173.099 174.700 -0.319 0.000 1.007 267 T CA -0.346 61.671 62.100 -0.138 0.000 1.009 267 T CB 0.419 69.324 68.868 0.062 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.876 121.356 120.300 0.299 0.000 2.442 268 Y HA 0.525 5.074 4.550 -0.001 0.000 0.344 268 Y C 0.009 176.038 175.900 0.214 0.000 0.976 268 Y CA -1.720 56.526 58.100 0.243 0.000 1.040 268 Y CB 1.063 39.671 38.460 0.248 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.047 124.433 121.223 0.271 0.000 3.642 269 L HA -0.250 4.089 4.340 -0.001 0.000 0.613 269 L C -0.810 176.144 176.870 0.139 0.000 1.064 269 L CA 0.229 55.142 54.840 0.122 0.000 1.039 269 L CB -0.777 41.315 42.059 0.054 0.000 1.226 269 L HN 0.496 nan 8.230 nan 0.000 0.764 270 L N 2.305 123.577 121.223 0.081 0.000 2.350 270 L HA 0.384 4.723 4.340 -0.001 0.000 0.275 270 L C 0.874 177.780 176.870 0.061 0.000 1.099 270 L CA 0.374 55.241 54.840 0.044 0.000 0.808 270 L CB 1.246 43.193 42.059 -0.188 0.000 1.149 270 L HN 0.361 nan 8.230 nan 0.000 0.442 274 R N 1.706 122.237 120.500 0.052 0.000 2.091 274 R HA -0.022 4.317 4.340 -0.001 0.000 0.238 274 R C 1.863 178.143 176.300 -0.032 0.000 1.136 274 R CA 1.786 57.865 56.100 -0.036 0.000 0.959 274 R CB -0.830 29.274 30.300 -0.326 0.000 0.856 274 R HN 0.331 nan 8.270 nan 0.000 0.437 275 V N 0.315 120.237 119.914 0.012 0.000 2.527 275 V HA -0.258 3.861 4.120 -0.001 0.000 0.255 275 V C 1.751 177.666 176.094 -0.299 0.000 1.081 275 V CA 2.174 64.388 62.300 -0.143 0.000 1.092 275 V CB -0.462 31.203 31.823 -0.263 0.000 0.673 275 V HN 0.425 nan 8.190 nan 0.000 0.470 276 T N -2.536 111.841 114.554 -0.295 0.000 2.958 276 T HA 0.324 4.673 4.350 -0.001 0.000 0.256 276 T C -0.185 174.406 174.700 -0.182 0.000 0.983 276 T CA 0.003 61.794 62.100 -0.515 0.000 0.924 276 T CB 0.356 68.960 68.868 -0.439 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.049 121.847 119.950 -0.254 0.000 2.692 277 F HA 0.631 5.157 4.527 -0.001 0.000 0.320 277 F C -1.860 173.848 175.800 -0.154 0.000 1.123 277 F CA -0.893 56.996 58.000 -0.185 0.000 0.961 277 F CB 1.602 40.519 39.000 -0.139 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.505 122.725 119.800 -0.966 0.000 2.518 278 Q HA 0.323 4.663 4.340 -0.001 0.000 0.254 278 Q C -2.168 173.226 176.000 -1.010 0.000 0.962 278 Q CA -0.783 54.568 55.803 -0.753 0.000 0.982 278 Q CB 1.662 30.182 28.738 -0.363 0.000 1.516 278 Q HN 0.787 nan 8.270 nan 0.000 0.426 279 L N 2.583 123.442 121.223 -0.606 0.000 2.472 279 L HA 0.197 4.537 4.340 -0.001 0.000 0.260 279 L C -1.198 175.503 176.870 -0.281 0.000 1.209 279 L CA -1.556 53.047 54.840 -0.396 0.000 0.817 279 L CB 0.243 42.196 42.059 -0.177 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.151 nan 4.420 nan 0.000 0.218 280 P C 0.512 177.750 177.300 -0.104 0.000 1.148 280 P CA 1.250 64.273 63.100 -0.128 0.000 0.822 280 P CB 0.184 31.834 31.700 -0.083 0.000 0.784 281 A N -1.383 121.376 122.820 -0.102 0.000 2.348 281 A HA 0.108 4.428 4.320 -0.001 0.000 0.224 281 A C 0.871 178.395 177.584 -0.099 0.000 1.227 281 A CA -0.004 51.982 52.037 -0.086 0.000 0.885 281 A CB -0.177 18.782 19.000 -0.068 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.173 119.951 120.200 -0.127 0.000 2.469 282 E HA 0.672 5.021 4.350 -0.001 0.000 0.246 282 E C -0.320 176.189 176.600 -0.152 0.000 0.969 282 E CA -1.009 55.311 56.400 -0.133 0.000 0.881 282 E CB 0.990 30.605 29.700 -0.142 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.857 119.557 120.500 -0.143 0.000 2.752 283 R HA 0.456 4.795 4.340 -0.001 0.000 0.271 283 R C -0.832 175.430 176.300 -0.063 0.000 1.026 283 R CA -0.673 55.361 56.100 -0.110 0.000 0.901 283 R CB 1.611 31.787 30.300 -0.206 0.000 1.243 283 R HN 0.437 nan 8.270 nan 0.000 0.463 284 S N -0.284 115.486 115.700 0.117 0.000 2.640 284 S HA 0.297 4.767 4.470 -0.001 0.000 0.262 284 S C -0.412 174.251 174.600 0.104 0.000 1.232 284 S CA -0.551 57.667 58.200 0.029 0.000 0.988 284 S CB 0.053 63.297 63.200 0.073 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.432 121.846 120.300 0.190 0.000 2.812 285 Y HA -0.025 4.525 4.550 -0.001 0.000 0.348 285 Y C 2.007 177.993 175.900 0.142 0.000 1.274 285 Y CA 0.712 58.844 58.100 0.053 0.000 1.489 285 Y CB 0.186 38.682 38.460 0.060 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.384 120.625 119.070 0.285 0.000 2.326 286 H HA -0.150 4.405 4.556 -0.001 0.000 0.301 286 H C 2.355 177.730 175.328 0.078 0.000 1.081 286 H CA 1.667 57.850 56.048 0.225 0.000 1.334 286 H CB -0.453 29.378 29.762 0.115 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.780 121.303 120.570 -0.080 0.000 2.161 287 I HA -0.405 3.765 4.170 -0.001 0.000 0.246 287 I C 1.919 177.873 176.117 -0.270 0.000 1.048 287 I CA 1.596 62.669 61.300 -0.377 0.000 1.314 287 I CB -0.291 37.162 38.000 -0.912 0.000 1.014 287 I HN -0.045 nan 8.210 nan 0.000 0.418 288 F N -0.208 119.650 119.950 -0.153 0.000 2.069 288 F HA -0.236 4.291 4.527 -0.001 0.000 0.298 288 F C 2.219 177.806 175.800 -0.353 0.000 1.113 288 F CA 1.902 59.698 58.000 -0.339 0.000 1.214 288 F CB -1.321 37.314 39.000 -0.609 0.000 0.978 288 F HN 0.111 nan 8.300 nan 0.000 0.474 289 Y N -0.583 119.832 120.300 0.192 0.000 2.373 289 Y HA -0.126 4.423 4.550 -0.001 0.000 0.293 289 Y C 2.455 178.383 175.900 0.047 0.000 1.129 289 Y CA 0.778 58.934 58.100 0.093 0.000 1.226 289 Y CB -1.074 37.435 38.460 0.082 0.000 1.000 289 Y HN 0.115 nan 8.280 nan 0.000 0.549 290 Q N 0.506 120.399 119.800 0.155 0.000 1.967 290 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 290 Q C 2.261 178.288 176.000 0.046 0.000 0.985 290 Q CA 2.027 57.877 55.803 0.077 0.000 0.839 290 Q CB -0.342 28.414 28.738 0.029 0.000 0.906 290 Q HN 0.442 nan 8.270 nan 0.000 0.423 291 I N 0.163 120.745 120.570 0.021 0.000 2.185 291 I HA -0.345 3.824 4.170 -0.001 0.000 0.246 291 I C 2.060 178.168 176.117 -0.015 0.000 1.088 291 I CA 1.429 62.726 61.300 -0.004 0.000 1.347 291 I CB -0.225 37.774 38.000 -0.002 0.000 1.041 291 I HN 0.431 nan 8.210 nan 0.000 0.415 292 M N 0.027 119.627 119.600 -0.001 0.000 2.659 292 M HA -0.063 4.416 4.480 -0.001 0.000 0.243 292 M C 2.214 178.536 176.300 0.037 0.000 1.111 292 M CA 0.733 56.036 55.300 0.005 0.000 1.070 292 M CB -0.227 32.373 32.600 -0.002 0.000 1.525 292 M HN 0.287 nan 8.290 nan 0.000 0.517 293 S N 0.295 116.020 115.700 0.042 0.000 2.402 293 S HA -0.074 4.395 4.470 -0.001 0.000 0.229 293 S C 0.642 175.257 174.600 0.025 0.000 1.021 293 S CA 0.898 59.123 58.200 0.042 0.000 0.974 293 S CB -0.366 62.858 63.200 0.039 0.000 0.800 293 S HN 0.706 nan 8.310 nan 0.000 0.484 298 E N 1.157 121.334 120.200 -0.037 0.000 2.097 298 E HA -0.150 4.199 4.350 -0.001 0.000 0.196 298 E C 1.775 178.348 176.600 -0.046 0.000 1.000 298 E CA 1.293 57.674 56.400 -0.032 0.000 0.804 298 E CB -0.634 29.044 29.700 -0.037 0.000 0.740 298 E HN 0.138 nan 8.360 nan 0.000 0.454 299 L N 0.363 121.524 121.223 -0.103 0.000 2.021 299 L HA -0.215 4.125 4.340 -0.001 0.000 0.215 299 L C 2.234 179.062 176.870 -0.070 0.000 1.074 299 L CA 1.529 56.276 54.840 -0.156 0.000 0.760 299 L CB -0.609 41.278 42.059 -0.287 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.622 119.923 120.570 -0.042 0.000 2.208 300 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 300 I C 2.068 178.210 176.117 0.040 0.000 1.097 300 I CA 1.573 62.873 61.300 -0.000 0.000 1.363 300 I CB -0.387 37.617 38.000 0.007 0.000 1.051 300 I HN 0.342 nan 8.210 nan 0.000 0.413 301 D N -0.546 119.875 120.400 0.034 0.000 2.213 301 D HA -0.111 4.529 4.640 -0.001 0.000 0.205 301 D C 2.118 178.463 176.300 0.074 0.000 0.961 301 D CA 0.911 54.943 54.000 0.053 0.000 0.853 301 D CB -0.062 40.760 40.800 0.036 0.000 0.967 301 D HN 0.364 nan 8.370 nan 0.000 0.496 302 M N 0.354 119.989 119.600 0.058 0.000 2.132 302 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 302 M C 1.332 177.713 176.300 0.134 0.000 1.065 302 M CA 1.310 56.660 55.300 0.084 0.000 1.122 302 M CB 0.177 32.796 32.600 0.031 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.257 121.549 121.223 0.116 0.000 2.446 303 L HA 0.241 4.580 4.340 -0.001 0.000 0.219 303 L C 0.687 177.720 176.870 0.272 0.000 1.116 303 L CA 0.814 55.757 54.840 0.170 0.000 0.844 303 L CB -0.386 41.739 42.059 0.109 0.000 0.970 303 L HN 0.469 nan 8.230 nan 0.000 0.457 304 L N -0.524 120.829 121.223 0.217 0.000 3.487 304 L HA -0.206 4.133 4.340 -0.001 0.000 0.450 304 L C -0.262 176.811 176.870 0.339 0.000 1.290 304 L CA 0.097 55.084 54.840 0.245 0.000 0.874 304 L CB -2.039 40.152 42.059 0.220 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.528 116.178 120.570 0.226 0.000 3.445 305 I HA 0.879 5.049 4.170 -0.001 0.000 0.303 305 I C 0.824 177.065 176.117 0.206 0.000 1.129 305 I CA -0.446 61.003 61.300 0.249 0.000 0.989 305 I CB 1.782 39.768 38.000 -0.022 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.345 112.379 114.554 0.283 0.000 2.876 306 T HA 0.389 4.738 4.350 -0.001 0.000 0.277 306 T C 0.731 175.515 174.700 0.141 0.000 0.997 306 T CA 0.191 62.412 62.100 0.202 0.000 0.966 306 T CB 1.204 70.207 68.868 0.224 0.000 1.312 306 T HN 0.830 nan 8.240 nan 0.000 0.598 307 T N -2.663 111.964 114.554 0.123 0.000 3.001 307 T HA 0.208 4.557 4.350 -0.001 0.000 0.251 307 T C 0.568 175.340 174.700 0.119 0.000 1.040 307 T CA -0.295 61.859 62.100 0.090 0.000 0.985 307 T CB -0.309 68.601 68.868 0.070 0.000 1.011 307 T HN 0.533 nan 8.240 nan 0.000 0.509 308 N N 2.723 121.523 118.700 0.167 0.000 2.439 308 N HA 0.323 5.062 4.740 -0.001 0.000 0.249 308 N C -2.221 173.437 175.510 0.247 0.000 1.003 308 N CA -2.616 50.553 53.050 0.198 0.000 0.942 308 N CB 1.840 40.445 38.487 0.196 0.000 1.115 308 N HN -0.073 nan 8.380 nan 0.000 0.505 309 P HA -0.030 nan 4.420 nan 0.000 0.226 309 P C 0.276 177.621 177.300 0.075 0.000 1.153 309 P CA 0.929 64.094 63.100 0.110 0.000 0.777 309 P CB -0.042 31.623 31.700 -0.059 0.000 0.794 310 Y N -0.417 119.968 120.300 0.142 0.000 2.584 310 Y HA -0.045 4.504 4.550 -0.001 0.000 0.317 310 Y C 1.450 177.354 175.900 0.007 0.000 1.208 310 Y CA 0.697 58.844 58.100 0.079 0.000 1.299 310 Y CB -0.830 37.659 38.460 0.048 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.657 118.784 120.400 0.070 0.000 2.369 311 D HA 0.028 4.667 4.640 -0.001 0.000 0.211 311 D C -0.756 175.027 176.300 -0.862 0.000 1.077 311 D CA 0.496 54.267 54.000 -0.381 0.000 0.842 311 D CB 0.157 40.649 40.800 -0.513 0.000 0.947 311 D HN 0.227 nan 8.370 nan 0.000 0.509 312 Y N -0.158 120.140 120.300 -0.003 0.000 2.705 312 Y HA 0.186 4.735 4.550 -0.001 0.000 0.355 312 Y C 1.102 176.998 175.900 -0.007 0.000 1.039 312 Y CA -1.019 57.049 58.100 -0.054 0.000 1.233 312 Y CB 0.185 38.557 38.460 -0.147 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.153 120.225 119.070 0.003 0.000 2.330 313 H HA -0.305 4.250 4.556 -0.001 0.000 0.290 313 H C 1.335 176.748 175.328 0.141 0.000 1.111 313 H CA 2.546 58.622 56.048 0.048 0.000 1.226 313 H CB -0.017 29.744 29.762 -0.001 0.000 1.355 313 H HN 0.608 nan 8.280 nan 0.000 0.485 314 Y N -0.343 119.844 120.300 -0.188 0.000 2.193 314 Y HA -0.142 4.407 4.550 -0.001 0.000 0.285 314 Y C 2.727 178.440 175.900 -0.312 0.000 1.166 314 Y CA 1.588 59.522 58.100 -0.275 0.000 1.181 314 Y CB -0.801 37.556 38.460 -0.173 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.162 117.674 119.914 -0.130 0.000 3.319 315 V HA 0.313 4.432 4.120 -0.001 0.000 0.317 315 V C 0.569 176.631 176.094 -0.053 0.000 1.411 315 V CA 0.671 62.839 62.300 -0.219 0.000 1.112 315 V CB -0.198 31.287 31.823 -0.564 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -2.046 113.613 115.700 -0.067 0.000 2.901 316 S HA 0.395 4.864 4.470 -0.001 0.000 0.248 316 S C 0.557 175.121 174.600 -0.059 0.000 1.021 316 S CA -0.139 57.999 58.200 -0.103 0.000 1.090 316 S CB 0.152 63.196 63.200 -0.261 0.000 1.039 316 S HN 0.545 nan 8.310 nan 0.000 0.514 317 E N 0.838 120.976 120.200 -0.103 0.000 2.299 317 E HA 0.149 4.499 4.350 -0.001 0.000 0.193 317 E C 1.466 177.989 176.600 -0.127 0.000 0.998 317 E CA 0.700 57.031 56.400 -0.115 0.000 0.851 317 E CB 0.151 29.703 29.700 -0.246 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.517 109.228 108.800 -0.148 0.000 3.198 318 G HA2 0.153 4.113 3.960 -0.001 0.000 0.203 318 G HA3 0.153 4.113 3.960 -0.001 0.000 0.203 318 G C 0.077 174.917 174.900 -0.100 0.000 1.950 318 G CA -0.352 44.661 45.100 -0.145 0.000 0.798 318 G HN -0.072 nan 8.290 nan 0.000 0.720 319 E N -0.786 119.333 120.200 -0.135 0.000 2.249 319 E HA 0.531 4.881 4.350 -0.001 0.000 0.263 319 E C 0.457 176.896 176.600 -0.267 0.000 0.950 319 E CA -0.588 55.722 56.400 -0.151 0.000 0.827 319 E CB 2.660 32.274 29.700 -0.143 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.391 120.009 120.570 -0.283 0.000 3.971 320 I HA 0.023 4.192 4.170 -0.001 0.000 0.303 320 I C 0.962 176.815 176.117 -0.440 0.000 1.233 320 I CA 0.512 61.564 61.300 -0.413 0.000 1.346 320 I CB 1.014 38.889 38.000 -0.209 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.125 115.536 114.554 -0.239 0.000 2.863 321 T HA 0.662 5.011 4.350 -0.001 0.000 0.285 321 T C -1.118 173.496 174.700 -0.143 0.000 1.009 321 T CA -0.479 61.518 62.100 -0.172 0.000 0.989 321 T CB 1.542 70.361 68.868 -0.081 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.770 127.609 119.914 -0.126 0.000 2.483 322 V HA 0.343 4.462 4.120 -0.001 0.000 0.297 322 V C -1.626 174.426 176.094 -0.069 0.000 1.027 322 V CA -1.668 60.576 62.300 -0.094 0.000 0.855 322 V CB 1.782 33.548 31.823 -0.096 0.000 0.995 322 V HN 0.719 nan 8.190 nan 0.000 0.424 323 P HA -0.155 nan 4.420 nan 0.000 0.215 323 P C 1.646 178.923 177.300 -0.040 0.000 1.153 323 P CA 1.705 64.780 63.100 -0.042 0.000 0.853 323 P CB 0.165 31.843 31.700 -0.036 0.000 0.788 324 S N -1.099 114.577 115.700 -0.040 0.000 2.603 324 S HA 0.009 4.479 4.470 -0.001 0.000 0.229 324 S C 0.807 175.381 174.600 -0.043 0.000 0.972 324 S CA -0.060 58.119 58.200 -0.034 0.000 0.935 324 S CB -1.237 61.949 63.200 -0.025 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.595 121.128 120.570 -0.061 0.000 2.474 325 I HA 0.514 4.683 4.170 -0.001 0.000 0.294 325 I C -1.102 174.975 176.117 -0.066 0.000 1.005 325 I CA -0.907 60.343 61.300 -0.083 0.000 1.113 325 I CB 1.682 39.598 38.000 -0.140 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.633 124.998 120.400 -0.057 0.000 2.479 326 D HA 0.167 4.806 4.640 -0.001 0.000 0.247 326 D C 0.733 177.015 176.300 -0.031 0.000 1.119 326 D CA -0.228 53.751 54.000 -0.035 0.000 0.922 326 D CB 0.642 41.428 40.800 -0.024 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.869 122.255 120.400 -0.024 0.000 2.203 327 D HA -0.219 4.420 4.640 -0.001 0.000 0.199 327 D C 1.517 177.823 176.300 0.009 0.000 0.997 327 D CA 1.097 55.096 54.000 -0.001 0.000 0.863 327 D CB 0.367 41.192 40.800 0.040 0.000 0.928 327 D HN 0.634 nan 8.370 nan 0.000 0.458 328 Q N 0.493 120.296 119.800 0.006 0.000 2.079 328 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 328 Q C 2.037 178.042 176.000 0.007 0.000 0.974 328 Q CA 0.788 56.596 55.803 0.008 0.000 0.840 328 Q CB -0.144 28.597 28.738 0.006 0.000 0.898 328 Q HN 0.434 nan 8.270 nan 0.000 0.430 329 E N 0.538 120.739 120.200 0.002 0.000 2.072 329 E HA -0.146 4.203 4.350 -0.001 0.000 0.190 329 E C 1.992 178.598 176.600 0.010 0.000 0.982 329 E CA 0.600 57.002 56.400 0.005 0.000 0.803 329 E CB 0.311 30.010 29.700 -0.001 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.749 120.950 120.200 0.002 0.000 2.077 330 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 330 E C 2.310 178.923 176.600 0.022 0.000 0.989 330 E CA 0.550 56.954 56.400 0.006 0.000 0.800 330 E CB -0.407 29.282 29.700 -0.019 0.000 0.746 330 E HN 0.293 nan 8.360 nan 0.000 0.452 331 L N 0.658 121.896 121.223 0.025 0.000 2.051 331 L HA -0.246 4.093 4.340 -0.001 0.000 0.214 331 L C 2.527 179.434 176.870 0.062 0.000 1.076 331 L CA 1.362 56.229 54.840 0.045 0.000 0.758 331 L CB -0.150 41.932 42.059 0.037 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.454 118.173 119.600 0.044 0.000 2.156 332 M HA -0.097 4.382 4.480 -0.001 0.000 0.264 332 M C 2.517 178.847 176.300 0.050 0.000 1.067 332 M CA 1.539 56.868 55.300 0.049 0.000 1.131 332 M CB -1.315 31.305 32.600 0.034 0.000 1.368 332 M HN 0.370 nan 8.290 nan 0.000 0.416 333 A N 0.956 123.801 122.820 0.042 0.000 1.892 333 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 333 A C 2.381 179.995 177.584 0.051 0.000 1.188 333 A CA 2.644 54.707 52.037 0.044 0.000 0.631 333 A CB -1.333 17.692 19.000 0.041 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.254 114.329 114.554 0.049 0.000 2.622 334 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 334 T C 1.798 176.526 174.700 0.047 0.000 1.047 334 T CA 1.455 63.582 62.100 0.044 0.000 1.159 334 T CB -0.496 68.385 68.868 0.022 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 1.002 121.451 120.400 0.081 0.000 2.137 335 D HA -0.128 4.511 4.640 -0.001 0.000 0.189 335 D C 2.340 178.683 176.300 0.072 0.000 0.998 335 D CA 1.875 55.943 54.000 0.113 0.000 0.839 335 D CB -0.270 40.619 40.800 0.149 0.000 0.962 335 D HN 0.351 nan 8.370 nan 0.000 0.446 336 S N 0.747 116.486 115.700 0.064 0.000 2.387 336 S HA -0.172 4.298 4.470 -0.001 0.000 0.230 336 S C 2.236 176.867 174.600 0.052 0.000 1.035 336 S CA 1.437 59.670 58.200 0.054 0.000 1.014 336 S CB -0.477 62.751 63.200 0.047 0.000 0.836 336 S HN 0.480 nan 8.310 nan 0.000 0.466 337 A N 1.733 124.584 122.820 0.051 0.000 1.902 337 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 337 A C 2.116 179.741 177.584 0.067 0.000 1.181 337 A CA 1.238 53.307 52.037 0.055 0.000 0.623 337 A CB -0.776 18.257 19.000 0.056 0.000 0.818 337 A HN 0.484 nan 8.150 nan 0.000 0.443 338 I N -0.020 120.574 120.570 0.040 0.000 2.127 338 I HA -0.301 3.868 4.170 -0.001 0.000 0.241 338 I C 2.089 178.307 176.117 0.168 0.000 1.075 338 I CA 1.756 63.078 61.300 0.037 0.000 1.334 338 I CB -0.579 37.350 38.000 -0.118 0.000 1.040 338 I HN 0.358 nan 8.210 nan 0.000 0.405 339 D N 1.027 121.486 120.400 0.098 0.000 2.103 339 D HA -0.207 4.432 4.640 -0.001 0.000 0.190 339 D C 2.227 178.570 176.300 0.073 0.000 0.997 339 D CA 1.646 55.700 54.000 0.090 0.000 0.833 339 D CB -0.319 40.520 40.800 0.064 0.000 0.961 339 D HN 0.362 nan 8.370 nan 0.000 0.447 340 I N 0.764 121.369 120.570 0.057 0.000 2.335 340 I HA -0.248 3.922 4.170 -0.001 0.000 0.251 340 I C 2.223 178.349 176.117 0.014 0.000 1.129 340 I CA 0.618 61.937 61.300 0.031 0.000 1.402 340 I CB -0.165 37.853 38.000 0.030 0.000 1.069 340 I HN -0.041 nan 8.210 nan 0.000 0.424 341 L N 0.551 121.805 121.223 0.052 0.000 2.633 341 L HA -0.016 4.324 4.340 -0.001 0.000 0.235 341 L C 1.639 178.431 176.870 -0.130 0.000 1.163 341 L CA 0.881 55.724 54.840 0.004 0.000 0.859 341 L CB -0.603 41.508 42.059 0.086 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.241 107.528 108.800 -0.052 0.000 2.143 342 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.249 342 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.249 342 G C 0.222 175.045 174.900 -0.129 0.000 0.981 342 G CA -0.474 44.558 45.100 -0.113 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.541 121.427 119.950 -0.107 0.000 2.506 343 F HA 0.521 5.048 4.527 -0.001 0.000 0.351 343 F C 1.371 177.144 175.800 -0.046 0.000 1.136 343 F CA 0.743 58.678 58.000 -0.110 0.000 1.298 343 F CB 1.173 40.090 39.000 -0.140 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.764 117.578 115.700 0.191 0.000 2.576 344 S HA 0.353 4.823 4.470 -0.001 0.000 0.276 344 S C 1.094 175.776 174.600 0.136 0.000 1.339 344 S CA -0.146 58.132 58.200 0.130 0.000 1.039 344 S CB 0.927 64.197 63.200 0.118 0.000 0.902 344 S HN 0.779 nan 8.310 nan 0.000 0.516 345 A N 3.634 126.512 122.820 0.097 0.000 1.908 345 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 345 A C 1.769 179.407 177.584 0.091 0.000 1.181 345 A CA 2.277 54.368 52.037 0.090 0.000 0.627 345 A CB -1.234 17.810 19.000 0.073 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.150 120.301 120.400 0.084 0.000 2.103 346 D HA -0.126 4.514 4.640 -0.001 0.000 0.190 346 D C 1.152 177.507 176.300 0.091 0.000 0.997 346 D CA 1.389 55.434 54.000 0.074 0.000 0.833 346 D CB -0.123 40.718 40.800 0.069 0.000 0.961 346 D HN 0.673 nan 8.370 nan 0.000 0.447 350 A N 1.992 124.823 122.820 0.018 0.000 1.883 350 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 350 A C 2.099 179.649 177.584 -0.056 0.000 1.186 350 A CA 1.594 53.607 52.037 -0.040 0.000 0.624 350 A CB -0.885 18.066 19.000 -0.083 0.000 0.822 350 A HN 0.537 nan 8.150 nan 0.000 0.444 351 I N -1.582 118.944 120.570 -0.074 0.000 2.118 351 I HA -0.245 3.924 4.170 -0.001 0.000 0.241 351 I C 1.409 177.476 176.117 -0.083 0.000 1.070 351 I CA 1.192 62.397 61.300 -0.158 0.000 1.327 351 I CB -0.915 36.886 38.000 -0.332 0.000 1.034 351 I HN 0.309 nan 8.210 nan 0.000 0.405 355 T N -0.649 113.955 114.554 0.084 0.000 3.035 355 T HA 0.056 4.406 4.350 -0.001 0.000 0.268 355 T C 1.475 176.318 174.700 0.239 0.000 1.109 355 T CA 1.307 63.508 62.100 0.167 0.000 1.119 355 T CB -0.113 68.824 68.868 0.115 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.645 109.546 108.800 0.169 0.000 2.545 356 G HA2 0.259 4.219 3.960 -0.001 0.000 0.212 356 G HA3 0.259 4.219 3.960 -0.001 0.000 0.212 356 G C 1.783 176.792 174.900 0.183 0.000 1.144 356 G CA 0.561 45.740 45.100 0.131 0.000 0.813 356 G HN 0.482 nan 8.290 nan 0.000 0.531 357 A N 0.785 123.727 122.820 0.203 0.000 1.892 357 A HA -0.051 4.268 4.320 -0.001 0.000 0.218 357 A C 2.567 180.225 177.584 0.122 0.000 1.188 357 A CA 2.041 54.212 52.037 0.222 0.000 0.631 357 A CB -0.859 18.164 19.000 0.039 0.000 0.822 357 A HN 0.268 nan 8.150 nan 0.000 0.447 358 V N 0.194 120.112 119.914 0.007 0.000 2.324 358 V HA -0.368 3.751 4.120 -0.001 0.000 0.250 358 V C 2.683 178.904 176.094 0.212 0.000 1.060 358 V CA 2.304 64.633 62.300 0.049 0.000 1.042 358 V CB -0.756 31.191 31.823 0.207 0.000 0.650 358 V HN 0.575 nan 8.190 nan 0.000 0.450 359 M N -0.939 118.743 119.600 0.137 0.000 2.086 359 M HA -0.199 4.281 4.480 -0.001 0.000 0.261 359 M C 2.205 178.560 176.300 0.092 0.000 1.067 359 M CA 2.112 57.417 55.300 0.009 0.000 1.116 359 M CB -0.879 31.561 32.600 -0.267 0.000 1.348 359 M HN 0.435 nan 8.290 nan 0.000 0.407 360 H N -1.027 118.196 119.070 0.255 0.000 2.387 360 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 360 H C 1.886 177.354 175.328 0.233 0.000 1.099 360 H CA 1.742 57.949 56.048 0.264 0.000 1.315 360 H CB -0.068 29.864 29.762 0.284 0.000 1.380 360 H HN 0.251 nan 8.280 nan 0.000 0.513 361 Y N 0.209 120.611 120.300 0.169 0.000 2.114 361 Y HA -0.170 4.379 4.550 -0.001 0.000 0.282 361 Y C 2.764 178.578 175.900 -0.144 0.000 1.165 361 Y CA 1.402 59.569 58.100 0.113 0.000 1.148 361 Y CB -0.948 37.663 38.460 0.251 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.892 107.590 108.800 -0.530 0.000 2.586 362 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.215 362 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.215 362 G C 1.382 175.994 174.900 -0.481 0.000 1.128 362 G CA 0.909 45.130 45.100 -1.465 0.000 0.774 362 G HN 0.311 nan 8.290 nan 0.000 0.543 363 N N -0.654 117.928 118.700 -0.196 0.000 2.282 363 N HA 0.129 4.868 4.740 -0.001 0.000 0.185 363 N C 0.258 175.717 175.510 -0.084 0.000 1.099 363 N CA -0.331 52.653 53.050 -0.110 0.000 0.878 363 N CB 0.230 38.684 38.487 -0.055 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.398 122.591 121.223 -0.049 0.000 2.513 364 L HA 0.036 4.376 4.340 -0.001 0.000 0.272 364 L C 0.272 177.095 176.870 -0.080 0.000 1.187 364 L CA 0.717 55.499 54.840 -0.097 0.000 0.895 364 L CB 0.176 42.218 42.059 -0.027 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.912 123.131 120.400 -0.301 0.000 2.328 365 K HA 0.750 5.070 4.320 -0.001 0.000 0.246 365 K C -1.223 175.019 176.600 -0.597 0.000 0.955 365 K CA -0.286 55.908 56.287 -0.155 0.000 0.817 365 K CB 1.365 33.792 32.500 -0.122 0.000 1.208 365 K HN 0.219 nan 8.250 nan 0.000 0.432 371 R N -0.580 119.928 120.500 0.013 0.000 3.977 371 R HA -0.199 4.141 4.340 -0.001 0.000 0.428 371 R C -0.325 175.983 176.300 0.014 0.000 1.079 371 R CA 1.447 57.554 56.100 0.012 0.000 1.269 371 R CB -0.905 29.402 30.300 0.011 0.000 1.856 371 R HN 0.574 nan 8.270 nan 0.000 0.551 372 E N 0.208 120.418 120.200 0.017 0.000 2.336 372 E HA 0.237 4.587 4.350 -0.001 0.000 0.267 372 E C -0.452 176.156 176.600 0.013 0.000 0.906 372 E CA -0.545 55.867 56.400 0.020 0.000 0.781 372 E CB 1.723 31.443 29.700 0.033 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.918 121.122 120.200 0.008 0.000 2.451 373 E HA 0.015 4.364 4.350 -0.001 0.000 0.194 373 E C -0.240 176.348 176.600 -0.020 0.000 1.027 373 E CA -0.064 56.334 56.400 -0.005 0.000 0.914 373 E CB 0.649 30.345 29.700 -0.006 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.161 119.956 119.800 -0.009 0.000 2.221 374 Q HA 0.481 4.820 4.340 -0.001 0.000 0.242 374 Q C -0.952 175.008 176.000 -0.066 0.000 0.940 374 Q CA -0.400 55.380 55.803 -0.038 0.000 0.896 374 Q CB 1.343 30.092 28.738 0.018 0.000 1.226 374 Q HN 0.131 nan 8.270 nan 0.000 0.463 375 A N 2.610 125.337 122.820 -0.154 0.000 2.301 375 A HA 0.512 4.831 4.320 -0.001 0.000 0.298 375 A C -0.996 176.519 177.584 -0.116 0.000 1.185 375 A CA -0.337 51.603 52.037 -0.161 0.000 0.830 375 A CB 0.327 19.135 19.000 -0.320 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.788 123.007 120.200 0.031 0.000 2.272 376 E HA 0.625 4.975 4.350 -0.001 0.000 0.269 376 E C -2.998 173.723 176.600 0.202 0.000 0.877 376 E CA -2.215 54.243 56.400 0.097 0.000 0.755 376 E CB 1.751 31.502 29.700 0.085 0.000 1.192 376 E HN 0.319 nan 8.360 nan 0.000 0.422 377 P HA 0.007 nan 4.420 nan 0.000 0.264 377 P C -0.438 176.815 177.300 -0.078 0.000 1.183 377 P CA 0.119 63.235 63.100 0.026 0.000 0.763 377 P CB 0.509 32.204 31.700 -0.009 0.000 0.807 378 D N 1.674 121.941 120.400 -0.221 0.000 2.460 378 D HA 0.308 4.947 4.640 -0.001 0.000 0.229 378 D C 0.442 176.655 176.300 -0.145 0.000 1.170 378 D CA 0.093 54.011 54.000 -0.138 0.000 0.827 378 D CB -0.494 40.234 40.800 -0.119 0.000 0.973 378 D HN 0.580 nan 8.370 nan 0.000 0.496 379 G N -0.702 108.011 108.800 -0.145 0.000 2.316 379 G HA2 0.096 4.055 3.960 -0.001 0.000 0.468 379 G HA3 0.096 4.055 3.960 -0.001 0.000 0.468 379 G C -0.302 174.524 174.900 -0.124 0.000 1.523 379 G CA -0.314 44.718 45.100 -0.114 0.000 0.972 379 G HN 0.102 nan 8.290 nan 0.000 0.667 380 T N -1.727 112.778 114.554 -0.082 0.000 3.444 380 T HA 0.605 4.955 4.350 -0.001 0.000 0.265 380 T C 0.489 175.152 174.700 -0.062 0.000 1.537 380 T CA 0.046 62.105 62.100 -0.069 0.000 1.530 380 T CB 1.350 70.193 68.868 -0.042 0.000 0.958 380 T HN 0.534 nan 8.240 nan 0.000 0.684 381 E N 0.633 120.789 120.200 -0.074 0.000 2.207 381 E HA 0.065 4.415 4.350 -0.001 0.000 0.197 381 E C 1.558 178.115 176.600 -0.071 0.000 0.914 381 E CA 0.464 56.825 56.400 -0.064 0.000 0.914 381 E CB 0.528 30.191 29.700 -0.061 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.244 121.111 119.914 -0.079 0.000 2.599 382 V HA -0.022 4.098 4.120 -0.001 0.000 0.245 382 V C 2.348 178.394 176.094 -0.079 0.000 1.046 382 V CA 1.356 63.608 62.300 -0.080 0.000 1.065 382 V CB -0.224 31.580 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.301 122.475 122.820 -0.073 0.000 1.933 383 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 383 A C 1.256 178.836 177.584 -0.006 0.000 1.175 383 A CA 1.274 53.285 52.037 -0.044 0.000 0.628 383 A CB -0.495 18.471 19.000 -0.058 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.500 122.420 122.820 0.167 0.000 1.883 387 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 387 A C 2.004 179.684 177.584 0.161 0.000 1.186 387 A CA 2.156 54.288 52.037 0.158 0.000 0.624 387 A CB -0.917 18.155 19.000 0.121 0.000 0.822 387 A HN 1.368 nan 8.150 nan 0.000 0.444 388 Y N -0.244 120.082 120.300 0.042 0.000 2.200 388 Y HA -0.088 4.462 4.550 -0.001 0.000 0.290 388 Y C 1.829 177.754 175.900 0.043 0.000 1.137 388 Y CA 1.454 59.574 58.100 0.034 0.000 1.163 388 Y CB -0.326 38.144 38.460 0.016 0.000 0.988 388 Y HN 0.162 nan 8.280 nan 0.000 0.518 389 L N 0.219 121.394 121.223 -0.081 0.000 2.191 389 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 389 L C 2.028 178.821 176.870 -0.129 0.000 1.103 389 L CA 1.703 56.450 54.840 -0.155 0.000 0.769 389 L CB -0.772 41.331 42.059 0.074 0.000 0.908 389 L HN 0.407 nan 8.230 nan 0.000 0.438 390 M N -2.027 117.544 119.600 -0.050 0.000 2.441 390 M HA 0.253 4.732 4.480 -0.001 0.000 0.244 390 M C 1.049 177.315 176.300 -0.055 0.000 1.122 390 M CA 0.584 55.851 55.300 -0.056 0.000 1.041 390 M CB 0.337 32.933 32.600 -0.008 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.968 110.730 108.800 -0.064 0.000 2.248 391 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.263 391 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.263 391 G C -0.656 174.263 174.900 0.031 0.000 1.082 391 G CA -0.278 44.801 45.100 -0.035 0.000 0.863 391 G HN 0.265 nan 8.290 nan 0.000 0.495 392 L N -0.353 120.909 121.223 0.066 0.000 2.260 392 L HA 0.748 5.087 4.340 -0.001 0.000 0.265 392 L C 0.188 177.113 176.870 0.092 0.000 1.015 392 L CA -1.581 53.316 54.840 0.095 0.000 0.826 392 L CB 1.551 43.693 42.059 0.138 0.000 1.373 392 L HN 0.236 nan 8.230 nan 0.000 0.450 393 N N -0.724 118.025 118.700 0.082 0.000 2.443 393 N HA 0.177 4.916 4.740 -0.001 0.000 0.269 393 N C 0.381 175.929 175.510 0.064 0.000 0.985 393 N CA 0.022 53.113 53.050 0.068 0.000 0.921 393 N CB 1.709 40.227 38.487 0.052 0.000 1.195 393 N HN 0.514 nan 8.380 nan 0.000 0.492 394 S N 2.618 118.354 115.700 0.060 0.000 2.378 394 S HA -0.260 4.209 4.470 -0.001 0.000 0.229 394 S C 1.743 176.367 174.600 0.040 0.000 1.052 394 S CA 2.217 60.444 58.200 0.046 0.000 1.084 394 S CB -0.151 63.067 63.200 0.029 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.033 123.875 122.820 0.038 0.000 1.832 395 A HA -0.127 4.193 4.320 -0.001 0.000 0.214 395 A C 1.957 179.569 177.584 0.045 0.000 1.200 395 A CA 1.593 53.654 52.037 0.039 0.000 0.610 395 A CB -0.876 18.143 19.000 0.033 0.000 0.842 395 A HN 0.572 nan 8.150 nan 0.000 0.444 396 E N -0.796 119.427 120.200 0.039 0.000 2.147 396 E HA -0.260 4.089 4.350 -0.001 0.000 0.199 396 E C 1.936 178.555 176.600 0.031 0.000 1.005 396 E CA 1.491 57.911 56.400 0.033 0.000 0.810 396 E CB -0.328 29.389 29.700 0.029 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.512 121.758 121.223 0.039 0.000 2.005 397 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 397 L C 2.064 178.955 176.870 0.035 0.000 1.072 397 L CA 1.497 56.358 54.840 0.036 0.000 0.744 397 L CB -0.346 41.749 42.059 0.061 0.000 0.895 397 L HN 0.059 nan 8.230 nan 0.000 0.433 398 L N -0.223 121.034 121.223 0.057 0.000 2.275 398 L HA -0.122 4.218 4.340 -0.001 0.000 0.215 398 L C 2.457 179.378 176.870 0.085 0.000 1.119 398 L CA 1.381 56.277 54.840 0.094 0.000 0.790 398 L CB -1.093 41.025 42.059 0.098 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.614 119.837 120.400 0.084 0.000 1.980 399 K HA -0.053 4.266 4.320 -0.001 0.000 0.208 399 K C 2.102 178.750 176.600 0.080 0.000 1.043 399 K CA 1.185 57.554 56.287 0.136 0.000 0.938 399 K CB -0.229 32.343 32.500 0.119 0.000 0.724 399 K HN 0.239 nan 8.250 nan 0.000 0.438 400 A N 1.680 124.519 122.820 0.032 0.000 1.940 400 A HA -0.234 4.085 4.320 -0.001 0.000 0.221 400 A C 2.112 179.657 177.584 -0.066 0.000 1.190 400 A CA 1.658 53.684 52.037 -0.018 0.000 0.647 400 A CB -0.727 18.243 19.000 -0.050 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.004 120.172 121.223 -0.079 0.000 2.017 401 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 401 L C 2.672 179.386 176.870 -0.259 0.000 1.073 401 L CA 1.928 56.679 54.840 -0.149 0.000 0.745 401 L CB -0.879 41.118 42.059 -0.103 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.207 116.925 119.300 -0.281 0.000 2.505 402 C HA -0.027 4.432 4.460 -0.001 0.000 0.279 402 C C 0.872 175.411 174.990 -0.751 0.000 1.316 402 C CA -0.128 58.563 59.018 -0.545 0.000 1.720 402 C CB -0.623 26.782 27.740 -0.559 0.000 2.050 402 C HN 0.407 nan 8.230 nan 0.000 0.493 403 Y N 0.885 121.145 120.300 -0.066 0.000 2.553 403 Y HA 0.307 4.856 4.550 -0.001 0.000 0.369 403 Y C -2.317 173.550 175.900 -0.054 0.000 0.964 403 Y CA -3.197 54.871 58.100 -0.053 0.000 1.156 403 Y CB -0.601 37.838 38.460 -0.036 0.000 1.218 403 Y HN 0.199 nan 8.280 nan 0.000 0.630 404 P HA -0.090 nan 4.420 nan 0.000 0.256 404 P C -0.119 177.189 177.300 0.015 0.000 1.173 404 P CA 0.327 63.416 63.100 -0.018 0.000 0.768 404 P CB 0.376 32.044 31.700 -0.053 0.000 0.758 405 R N 3.615 124.120 120.500 0.009 0.000 2.230 405 R HA 0.401 4.741 4.340 -0.001 0.000 0.337 405 R C -0.637 175.660 176.300 -0.006 0.000 1.063 405 R CA -0.686 55.419 56.100 0.009 0.000 0.935 405 R CB 0.091 30.397 30.300 0.010 0.000 1.121 405 R HN 0.101 nan 8.270 nan 0.000 0.486 406 V N 2.324 122.236 119.914 -0.003 0.000 3.596 406 V HA 0.501 4.620 4.120 -0.001 0.000 0.288 406 V C 1.064 177.156 176.094 -0.003 0.000 1.021 406 V CA -0.169 62.128 62.300 -0.005 0.000 1.020 406 V CB 1.560 33.382 31.823 -0.003 0.000 1.243 406 V HN 0.947 nan 8.190 nan 0.000 0.433 407 G N 0.076 108.875 108.800 -0.002 0.000 4.566 407 G HA2 0.445 4.405 3.960 -0.001 0.000 0.276 407 G HA3 0.445 4.405 3.960 -0.001 0.000 0.276 407 G C -0.970 173.929 174.900 -0.002 0.000 1.248 407 G CA -0.115 44.984 45.100 -0.002 0.000 0.858 407 G HN 0.401 nan 8.290 nan 0.000 0.549 408 V N 1.670 121.583 119.914 -0.002 0.000 2.389 408 V HA 0.688 4.808 4.120 -0.001 0.000 0.264 408 V C 1.219 177.311 176.094 -0.004 0.000 1.049 408 V CA 1.576 63.875 62.300 -0.003 0.000 0.932 408 V CB 0.180 32.003 31.823 -0.001 0.000 1.011 408 V HN 1.198 nan 8.190 nan 0.000 0.475 409 G N 5.435 114.232 108.800 -0.006 0.000 2.846 409 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.225 409 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.225 409 G C 0.274 175.171 174.900 -0.006 0.000 1.285 409 G CA 0.142 45.238 45.100 -0.006 0.000 1.055 409 G HN 0.819 nan 8.290 nan 0.000 0.579 410 N N 2.011 120.708 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.935 4.740 -0.001 0.000 0.222 410 N C 0.578 176.085 175.510 -0.004 0.000 1.218 410 N CA 1.014 54.061 53.050 -0.005 0.000 0.889 410 N CB 0.758 39.241 38.487 -0.005 0.000 1.083 410 N HN 0.967 nan 8.380 nan 0.000 0.520 411 E N 0.343 120.540 120.200 -0.004 0.000 2.573 411 E HA 0.737 5.086 4.350 -0.001 0.000 0.218 411 E C -1.120 175.478 176.600 -0.003 0.000 0.777 411 E CA -1.310 55.088 56.400 -0.004 0.000 0.970 411 E CB 1.172 30.869 29.700 -0.004 0.000 1.666 411 E HN -0.045 nan 8.360 nan 0.000 0.384 412 A N 0.935 123.752 122.820 -0.004 0.000 2.466 412 A HA 0.458 4.777 4.320 -0.001 0.000 0.291 412 A C -0.892 176.690 177.584 -0.003 0.000 1.234 412 A CA -0.700 51.335 52.037 -0.003 0.000 0.752 412 A CB 0.681 19.679 19.000 -0.004 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.053 122.967 119.914 -0.001 0.000 2.385 413 V HA 0.287 4.406 4.120 -0.001 0.000 0.269 413 V C 0.967 177.065 176.094 0.006 0.000 1.043 413 V CA -0.096 62.205 62.300 0.001 0.000 0.906 413 V CB 0.716 32.540 31.823 0.001 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.095 120.187 120.200 -0.179 0.000 2.281 417 E HA 0.667 5.017 4.350 -0.001 0.000 0.262 417 E C -0.193 176.288 176.600 -0.197 0.000 0.933 417 E CA -0.732 55.558 56.400 -0.183 0.000 0.809 417 E CB 2.170 31.736 29.700 -0.224 0.000 1.242 417 E HN 0.407 nan 8.360 nan 0.000 0.418 418 T N 0.238 114.694 114.554 -0.162 0.000 2.881 418 T HA 0.094 4.444 4.350 -0.001 0.000 0.278 418 T C 1.593 176.165 174.700 -0.213 0.000 0.982 418 T CA -0.704 61.307 62.100 -0.147 0.000 0.989 418 T CB 1.247 70.060 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.210 121.012 119.914 -0.186 0.000 2.255 419 V HA -0.180 3.940 4.120 -0.001 0.000 0.247 419 V C 2.683 178.611 176.094 -0.276 0.000 1.051 419 V CA 2.045 64.189 62.300 -0.261 0.000 1.018 419 V CB -1.025 30.712 31.823 -0.143 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.467 115.163 115.700 -0.118 0.000 2.419 420 S HA -0.227 4.243 4.470 -0.001 0.000 0.235 420 S C 1.856 176.424 174.600 -0.053 0.000 1.019 420 S CA 1.609 59.790 58.200 -0.031 0.000 0.982 420 S CB -0.347 62.855 63.200 0.005 0.000 0.789 420 S HN 0.730 nan 8.310 nan 0.000 0.490 421 E N 0.430 120.561 120.200 -0.115 0.000 2.158 421 E HA -0.047 4.303 4.350 -0.001 0.000 0.191 421 E C 2.020 178.524 176.600 -0.160 0.000 0.982 421 E CA 0.859 57.191 56.400 -0.113 0.000 0.823 421 E CB -0.127 29.500 29.700 -0.122 0.000 0.766 421 E HN 0.353 nan 8.360 nan 0.000 0.468 422 V N 1.365 121.101 119.914 -0.297 0.000 2.255 422 V HA -0.211 3.908 4.120 -0.001 0.000 0.243 422 V C 2.120 178.091 176.094 -0.206 0.000 1.038 422 V CA 1.666 63.709 62.300 -0.427 0.000 1.008 422 V CB -0.756 30.504 31.823 -0.939 0.000 0.645 422 V HN 0.252 nan 8.190 nan 0.000 0.449 423 H N 0.958 119.957 119.070 -0.118 0.000 2.394 423 H HA -0.173 4.383 4.556 -0.001 0.000 0.297 423 H C 2.268 177.647 175.328 0.084 0.000 1.113 423 H CA 2.010 58.093 56.048 0.058 0.000 1.277 423 H CB -0.648 29.176 29.762 0.103 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.197 118.592 118.700 0.149 0.000 2.216 424 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 424 N C 2.124 177.683 175.510 0.082 0.000 1.017 424 N CA 1.113 54.226 53.050 0.105 0.000 0.861 424 N CB 0.063 38.586 38.487 0.059 0.000 0.986 424 N HN 0.307 nan 8.380 nan 0.000 0.428 425 S N 0.609 116.328 115.700 0.031 0.000 2.383 425 S HA -0.061 4.408 4.470 -0.001 0.000 0.227 425 S C 2.116 176.774 174.600 0.096 0.000 1.026 425 S CA 0.635 58.851 58.200 0.027 0.000 0.981 425 S CB -0.700 62.478 63.200 -0.037 0.000 0.818 425 S HN 0.015 nan 8.310 nan 0.000 0.472 426 V N 2.729 122.720 119.914 0.129 0.000 2.233 426 V HA -0.123 3.996 4.120 -0.001 0.000 0.247 426 V C 2.994 179.311 176.094 0.371 0.000 1.050 426 V CA 2.076 64.524 62.300 0.246 0.000 1.010 426 V CB -1.783 30.202 31.823 0.271 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.599 108.400 108.800 0.332 0.000 2.469 427 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.220 427 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.220 427 G C 1.715 176.710 174.900 0.158 0.000 1.136 427 G CA 1.215 46.464 45.100 0.248 0.000 0.759 427 G HN 0.659 nan 8.290 nan 0.000 0.562 428 A N 0.298 123.206 122.820 0.147 0.000 1.930 428 A HA 0.168 4.487 4.320 -0.001 0.000 0.217 428 A C 2.420 180.105 177.584 0.168 0.000 1.175 428 A CA 1.246 53.354 52.037 0.118 0.000 0.627 428 A CB -0.277 18.772 19.000 0.082 0.000 0.815 428 A HN 0.366 nan 8.150 nan 0.000 0.443 429 L N -0.435 120.930 121.223 0.236 0.000 2.044 429 L HA 0.047 4.387 4.340 -0.001 0.000 0.205 429 L C 2.048 179.108 176.870 0.316 0.000 1.075 429 L CA 0.381 55.410 54.840 0.316 0.000 0.747 429 L CB -0.935 41.367 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.182 120.269 119.914 0.287 0.000 2.287 433 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 433 V C 2.220 178.351 176.094 0.061 0.000 1.053 433 V CA 2.669 65.078 62.300 0.182 0.000 1.027 433 V CB -1.095 30.815 31.823 0.146 0.000 0.646 433 V HN 0.625 nan 8.190 nan 0.000 0.447 434 Y N 1.242 121.542 120.300 0.001 0.000 2.081 434 Y HA -0.205 4.344 4.550 -0.001 0.000 0.280 434 Y C 1.830 177.702 175.900 -0.047 0.000 1.163 434 Y CA 1.880 59.968 58.100 -0.019 0.000 1.135 434 Y CB -0.279 38.183 38.460 0.004 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.296 121.996 119.950 -0.417 0.000 2.161 438 F HA -0.164 4.362 4.527 -0.001 0.000 0.300 438 F C 1.362 176.988 175.800 -0.291 0.000 1.089 438 F CA 2.054 59.777 58.000 -0.461 0.000 1.282 438 F CB -0.056 38.675 39.000 -0.448 0.000 1.010 438 F HN 0.252 nan 8.300 nan 0.000 0.485 439 L N -0.780 120.425 121.223 -0.031 0.000 2.017 439 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 439 L C 2.076 178.878 176.870 -0.114 0.000 1.073 439 L CA 1.760 56.550 54.840 -0.084 0.000 0.745 439 L CB -1.942 40.123 42.059 0.009 0.000 0.894 439 L HN 0.502 nan 8.230 nan 0.000 0.432 440 W N 0.195 121.354 121.300 -0.235 0.000 2.333 440 W HA -0.267 4.393 4.660 -0.001 0.000 0.316 440 W C 2.676 179.077 176.519 -0.196 0.000 1.215 440 W CA 1.796 59.025 57.345 -0.194 0.000 1.278 440 W CB -0.417 28.937 29.460 -0.177 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.231 119.161 119.600 -0.346 0.000 2.089 441 M HA -0.301 4.179 4.480 -0.001 0.000 0.257 441 M C 1.873 177.911 176.300 -0.437 0.000 1.071 441 M CA 2.331 57.329 55.300 -0.505 0.000 1.096 441 M CB -0.864 31.375 32.600 -0.602 0.000 1.330 441 M HN -0.065 nan 8.290 nan 0.000 0.403 442 V N 0.465 120.073 119.914 -0.510 0.000 2.255 442 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 442 V C 2.125 178.019 176.094 -0.333 0.000 1.051 442 V CA 2.049 64.092 62.300 -0.427 0.000 1.018 442 V CB -0.553 31.002 31.823 -0.447 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.689 119.696 120.570 -0.308 0.000 2.118 443 I HA -0.263 3.906 4.170 -0.001 0.000 0.241 443 I C 2.788 178.693 176.117 -0.353 0.000 1.070 443 I CA 1.581 62.723 61.300 -0.263 0.000 1.327 443 I CB -0.431 37.457 38.000 -0.187 0.000 1.034 443 I HN 0.187 nan 8.210 nan 0.000 0.405 444 R N 0.387 120.566 120.500 -0.535 0.000 2.105 444 R HA -0.134 4.205 4.340 -0.001 0.000 0.239 444 R C 2.201 178.124 176.300 -0.628 0.000 1.135 444 R CA 1.478 57.164 56.100 -0.691 0.000 0.967 444 R CB -0.717 28.911 30.300 -1.121 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.224 121.502 120.570 -0.487 0.000 2.113 445 I HA -0.318 3.852 4.170 -0.001 0.000 0.238 445 I C 1.957 177.904 176.117 -0.284 0.000 1.070 445 I CA 1.228 62.318 61.300 -0.350 0.000 1.332 445 I CB -0.550 37.315 38.000 -0.225 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.100 119.652 118.700 -0.247 0.000 2.133 446 N HA -0.277 4.463 4.740 -0.001 0.000 0.193 446 N C 1.839 177.227 175.510 -0.204 0.000 1.012 446 N CA 1.868 54.799 53.050 -0.199 0.000 0.871 446 N CB -0.465 37.912 38.487 -0.182 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.087 119.740 119.800 -0.245 0.000 2.124 447 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 447 Q C 1.664 177.535 176.000 -0.214 0.000 0.977 447 Q CA 1.332 57.000 55.803 -0.226 0.000 0.850 447 Q CB -0.293 28.322 28.738 -0.204 0.000 0.901 447 Q HN 0.201 nan 8.270 nan 0.000 0.429 448 Q N 0.350 120.000 119.800 -0.249 0.000 2.137 448 Q HA 0.037 4.376 4.340 -0.001 0.000 0.198 448 Q C 1.427 177.330 176.000 -0.161 0.000 0.960 448 Q CA 0.713 56.390 55.803 -0.209 0.000 0.847 448 Q CB 0.108 28.704 28.738 -0.237 0.000 0.915 448 Q HN 0.299 nan 8.270 nan 0.000 0.448 449 L N 1.197 122.322 121.223 -0.163 0.000 2.749 449 L HA 0.022 4.361 4.340 -0.001 0.000 0.245 449 L C -0.311 176.477 176.870 -0.136 0.000 1.156 449 L CA 0.840 55.600 54.840 -0.133 0.000 0.890 449 L CB -0.772 41.211 42.059 -0.127 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.597 119.718 120.400 -0.142 0.000 2.280 450 D HA 0.386 5.025 4.640 -0.001 0.000 0.236 450 D C 0.185 176.412 176.300 -0.121 0.000 1.082 450 D CA -0.021 53.893 54.000 -0.143 0.000 0.834 450 D CB 1.149 41.863 40.800 -0.142 0.000 1.100 450 D HN 0.157 nan 8.370 nan 0.000 0.486 451 T N -0.042 114.441 114.554 -0.119 0.000 2.940 451 T HA 0.442 4.792 4.350 -0.001 0.000 0.288 451 T C 1.032 175.677 174.700 -0.092 0.000 1.045 451 T CA -0.765 61.279 62.100 -0.094 0.000 1.018 451 T CB 1.953 70.774 68.868 -0.078 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.092 120.265 120.400 -0.072 0.000 2.211 452 K HA 0.065 4.384 4.320 -0.001 0.000 0.201 452 K C 0.752 177.316 176.600 -0.058 0.000 1.052 452 K CA 0.309 56.558 56.287 -0.064 0.000 0.973 452 K CB 0.020 32.490 32.500 -0.051 0.000 0.766 452 K HN 0.655 nan 8.250 nan 0.000 0.466 453 Q N 2.183 121.952 119.800 -0.051 0.000 2.352 453 Q HA -0.024 4.315 4.340 -0.001 0.000 0.326 453 Q C -2.331 173.640 176.000 -0.048 0.000 1.135 453 Q CA -1.110 54.669 55.803 -0.040 0.000 1.000 453 Q CB -0.640 28.082 28.738 -0.028 0.000 1.237 453 Q HN 0.020 nan 8.270 nan 0.000 0.409 454 P HA 0.089 nan 4.420 nan 0.000 0.272 454 P C -0.959 176.314 177.300 -0.045 0.000 1.223 454 P CA -0.009 63.064 63.100 -0.045 0.000 0.784 454 P CB 0.619 32.295 31.700 -0.039 0.000 0.923 455 R N 1.305 121.774 120.500 -0.051 0.000 2.561 455 R HA 0.376 4.715 4.340 -0.001 0.000 0.297 455 R C 0.656 176.909 176.300 -0.078 0.000 0.969 455 R CA -0.611 55.474 56.100 -0.025 0.000 0.879 455 R CB 1.942 32.251 30.300 0.014 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.038 120.693 119.800 -0.241 0.000 2.431 456 Q HA 0.180 4.520 4.340 -0.001 0.000 0.244 456 Q C -0.564 175.104 176.000 -0.552 0.000 0.880 456 Q CA 0.737 56.214 55.803 -0.543 0.000 0.954 456 Q CB 0.887 29.046 28.738 -0.966 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.011 119.402 120.300 0.189 0.000 2.670 457 Y HA 0.507 5.056 4.550 -0.001 0.000 0.334 457 Y C -0.664 175.372 175.900 0.227 0.000 1.185 457 Y CA -2.001 56.190 58.100 0.151 0.000 1.053 457 Y CB 0.771 39.249 38.460 0.030 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.824 119.240 119.950 0.189 0.000 2.650 458 F HA 0.911 5.437 4.527 -0.001 0.000 0.320 458 F C -1.898 173.921 175.800 0.032 0.000 1.091 458 F CA -1.850 56.117 58.000 -0.055 0.000 0.962 458 F CB 1.645 40.255 39.000 -0.650 0.000 1.363 458 F HN 0.354 nan 8.300 nan 0.000 0.482 459 I N 1.821 122.490 120.570 0.165 0.000 2.439 459 I HA 0.494 4.663 4.170 -0.001 0.000 0.283 459 I C 0.010 176.188 176.117 0.101 0.000 1.023 459 I CA -0.733 60.584 61.300 0.029 0.000 1.100 459 I CB 1.678 39.638 38.000 -0.068 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.791 114.701 108.800 0.184 0.000 2.353 460 G HA2 0.519 4.478 3.960 -0.001 0.000 0.284 460 G HA3 0.519 4.478 3.960 -0.001 0.000 0.284 460 G C -0.657 174.326 174.900 0.139 0.000 1.172 460 G CA -0.225 44.928 45.100 0.089 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.946 123.876 119.914 0.026 0.000 2.326 461 V HA 0.319 4.438 4.120 -0.001 0.000 0.281 461 V C -0.169 176.105 176.094 0.299 0.000 1.015 461 V CA -0.689 61.711 62.300 0.166 0.000 0.823 461 V CB 1.034 32.942 31.823 0.142 0.000 1.009 461 V HN 0.705 nan 8.190 nan 0.000 0.436 462 L N 4.510 125.981 121.223 0.414 0.000 2.282 462 L HA 0.764 5.104 4.340 -0.001 0.000 0.288 462 L C -0.628 176.400 176.870 0.264 0.000 1.033 462 L CA 0.346 55.461 54.840 0.457 0.000 0.807 462 L CB 1.456 43.723 42.059 0.346 0.000 1.209 462 L HN 0.644 nan 8.230 nan 0.000 0.423 463 D N 6.362 126.913 120.400 0.252 0.000 2.549 463 D HA 0.565 5.204 4.640 -0.001 0.000 0.251 463 D C -1.000 175.394 176.300 0.158 0.000 1.153 463 D CA -0.099 54.001 54.000 0.168 0.000 0.861 463 D CB 1.062 41.943 40.800 0.134 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.937 121.577 120.570 0.116 0.000 3.181 464 I HA 0.516 4.686 4.170 -0.001 0.000 0.311 464 I C -0.220 175.944 176.117 0.078 0.000 1.287 464 I CA -1.328 60.033 61.300 0.103 0.000 0.958 464 I CB 1.907 39.958 38.000 0.085 0.000 1.294 464 I HN 0.428 nan 8.210 nan 0.000 0.467 465 A N 1.033 123.898 122.820 0.075 0.000 2.304 465 A HA 0.782 5.102 4.320 -0.001 0.000 0.271 465 A C 0.083 177.714 177.584 0.078 0.000 1.091 465 A CA -0.007 52.072 52.037 0.069 0.000 0.812 465 A CB 0.578 19.619 19.000 0.067 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.006 107.840 108.800 0.076 0.000 2.441 466 G HA2 0.487 4.447 3.960 -0.001 0.000 0.334 466 G HA3 0.487 4.447 3.960 -0.001 0.000 0.334 466 G C -0.529 174.436 174.900 0.108 0.000 1.161 466 G CA -0.716 44.449 45.100 0.107 0.000 0.935 466 G HN 0.624 nan 8.290 nan 0.000 0.488 467 F N 0.967 120.897 119.950 -0.033 0.000 2.473 467 F HA 0.044 4.571 4.527 -0.001 0.000 0.405 467 F C 0.791 176.481 175.800 -0.184 0.000 0.988 467 F CA 0.740 58.668 58.000 -0.121 0.000 1.096 467 F CB 0.189 39.101 39.000 -0.146 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.322 126.346 120.200 -0.293 0.000 2.222 468 E HA 0.468 4.817 4.350 -0.001 0.000 0.267 468 E C -0.889 175.185 176.600 -0.875 0.000 0.884 468 E CA -0.940 55.157 56.400 -0.504 0.000 0.764 468 E CB 2.083 31.465 29.700 -0.531 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.407 123.509 120.570 -0.780 0.000 2.378 469 I HA 0.382 4.551 4.170 -0.001 0.000 0.291 469 I C -0.916 174.778 176.117 -0.704 0.000 0.992 469 I CA -0.527 60.387 61.300 -0.643 0.000 1.154 469 I CB 0.678 38.547 38.000 -0.218 0.000 1.315 469 I HN 0.342 nan 8.210 nan 0.000 0.448 470 F N 2.749 122.636 119.950 -0.104 0.000 2.593 470 F HA 0.328 4.855 4.527 -0.001 0.000 0.320 470 F C 1.341 177.120 175.800 -0.035 0.000 1.060 470 F CA -1.022 56.953 58.000 -0.043 0.000 0.940 470 F CB 0.827 39.831 39.000 0.006 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.239 120.782 120.400 0.238 0.000 2.218 471 D HA -0.194 4.445 4.640 -0.001 0.000 0.204 471 D C 0.142 176.560 176.300 0.196 0.000 0.976 471 D CA 1.412 55.501 54.000 0.149 0.000 0.853 471 D CB -0.013 40.866 40.800 0.132 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.107 122.118 119.950 0.102 0.000 2.382 472 F HA 0.309 4.835 4.527 -0.001 0.000 0.361 472 F C -0.732 175.148 175.800 0.134 0.000 1.109 472 F CA -1.071 56.979 58.000 0.084 0.000 1.031 472 F CB 0.723 39.753 39.000 0.050 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.754 123.229 118.700 -0.374 0.000 2.446 473 N HA 0.228 4.967 4.740 -0.001 0.000 0.265 473 N C -0.813 174.594 175.510 -0.171 0.000 0.975 473 N CA -0.250 52.676 53.050 -0.207 0.000 0.928 473 N CB 2.042 40.304 38.487 -0.376 0.000 1.160 473 N HN 0.470 nan 8.380 nan 0.000 0.495 474 S N 0.686 116.402 115.700 0.025 0.000 2.776 474 S HA 0.352 4.821 4.470 -0.001 0.000 0.306 474 S C 1.076 175.798 174.600 0.203 0.000 1.114 474 S CA -0.592 57.778 58.200 0.284 0.000 0.973 474 S CB 0.533 63.925 63.200 0.322 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.306 121.942 119.950 -0.525 0.000 2.085 475 F HA -0.212 4.314 4.527 -0.001 0.000 0.299 475 F C 1.858 177.368 175.800 -0.483 0.000 1.096 475 F CA 2.777 60.042 58.000 -1.225 0.000 1.227 475 F CB -0.794 37.327 39.000 -1.465 0.000 0.983 475 F HN 0.678 nan 8.300 nan 0.000 0.482 476 E N 0.025 120.006 120.200 -0.365 0.000 2.118 476 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 476 E C 2.012 178.471 176.600 -0.235 0.000 0.992 476 E CA 1.641 57.812 56.400 -0.382 0.000 0.804 476 E CB -0.515 29.095 29.700 -0.149 0.000 0.741 476 E HN 0.514 nan 8.360 nan 0.000 0.458 477 Q N 0.041 119.809 119.800 -0.052 0.000 2.079 477 Q HA -0.067 4.272 4.340 -0.001 0.000 0.200 477 Q C 2.075 178.120 176.000 0.075 0.000 0.974 477 Q CA 0.825 56.658 55.803 0.051 0.000 0.840 477 Q CB -0.295 28.531 28.738 0.147 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.003 121.286 121.223 0.099 0.000 1.989 478 L HA -0.229 4.111 4.340 -0.001 0.000 0.211 478 L C 1.924 178.849 176.870 0.091 0.000 1.071 478 L CA 1.891 56.730 54.840 -0.002 0.000 0.749 478 L CB -0.874 41.049 42.059 -0.226 0.000 0.890 478 L HN 0.342 nan 8.230 nan 0.000 0.431 479 C N -0.566 118.674 119.300 -0.101 0.000 2.401 479 C HA -0.170 4.289 4.460 -0.001 0.000 0.276 479 C C 2.679 177.768 174.990 0.166 0.000 1.233 479 C CA 0.979 59.971 59.018 -0.044 0.000 1.753 479 C CB -1.217 25.963 27.740 -0.932 0.000 2.029 479 C HN 0.642 nan 8.230 nan 0.000 0.478 480 I N 1.426 121.998 120.570 0.005 0.000 2.233 480 I HA -0.150 4.019 4.170 -0.001 0.000 0.243 480 I C 2.289 178.470 176.117 0.106 0.000 1.093 480 I CA 1.546 62.883 61.300 0.062 0.000 1.380 480 I CB -0.460 37.538 38.000 -0.003 0.000 1.067 480 I HN 0.400 nan 8.210 nan 0.000 0.413 481 N N -0.151 118.556 118.700 0.012 0.000 2.104 481 N HA -0.268 4.471 4.740 -0.001 0.000 0.190 481 N C 1.944 177.650 175.510 0.326 0.000 1.024 481 N CA 1.349 54.354 53.050 -0.074 0.000 0.853 481 N CB -0.331 37.872 38.487 -0.474 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.501 122.598 119.950 0.246 0.000 2.161 482 F HA -0.152 4.375 4.527 -0.001 0.000 0.300 482 F C 2.254 178.217 175.800 0.272 0.000 1.089 482 F CA 1.241 59.429 58.000 0.312 0.000 1.282 482 F CB -0.830 38.380 39.000 0.351 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.642 115.281 114.554 0.141 0.000 2.708 483 T HA -0.186 4.163 4.350 -0.001 0.000 0.266 483 T C 1.864 176.565 174.700 0.001 0.000 1.037 483 T CA 1.547 63.609 62.100 -0.063 0.000 1.146 483 T CB -0.391 68.522 68.868 0.074 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.840 119.639 118.700 0.164 0.000 2.142 484 N HA -0.016 4.723 4.740 -0.001 0.000 0.186 484 N C 1.151 176.893 175.510 0.386 0.000 1.023 484 N CA 0.624 53.836 53.050 0.269 0.000 0.852 484 N CB -0.178 38.525 38.487 0.360 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.833 120.749 119.800 0.193 0.000 2.030 488 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 488 Q C 2.051 178.151 176.000 0.167 0.000 0.986 488 Q CA 2.664 58.486 55.803 0.033 0.000 0.843 488 Q CB -0.228 28.287 28.738 -0.372 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.368 118.544 119.800 0.187 0.000 2.234 489 Q HA -0.180 4.160 4.340 -0.001 0.000 0.206 489 Q C 1.753 177.930 176.000 0.294 0.000 0.980 489 Q CA 1.358 57.288 55.803 0.213 0.000 0.869 489 Q CB -0.268 28.580 28.738 0.183 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.204 120.264 119.950 0.182 0.000 2.186 490 F HA -0.156 4.371 4.527 -0.001 0.000 0.299 490 F C 1.568 177.586 175.800 0.363 0.000 1.090 490 F CA 1.095 59.224 58.000 0.214 0.000 1.307 490 F CB -0.471 38.650 39.000 0.202 0.000 1.019 490 F HN 0.193 nan 8.300 nan 0.000 0.489 491 F N 1.326 121.320 119.950 0.074 0.000 2.074 491 F HA -0.091 4.436 4.527 -0.001 0.000 0.290 491 F C 2.128 177.920 175.800 -0.012 0.000 1.118 491 F CA 1.855 59.784 58.000 -0.118 0.000 1.199 491 F CB -1.072 37.697 39.000 -0.385 0.000 1.012 491 F HN -0.141 nan 8.300 nan 0.000 0.472 492 N N -0.358 118.411 118.700 0.114 0.000 2.242 492 N HA -0.296 4.444 4.740 -0.001 0.000 0.191 492 N C 1.640 177.257 175.510 0.178 0.000 1.005 492 N CA 1.849 54.955 53.050 0.092 0.000 0.877 492 N CB -0.663 37.961 38.487 0.227 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.260 117.843 119.070 0.055 0.000 2.329 493 H HA -0.005 4.551 4.556 -0.001 0.000 0.306 493 H C 2.108 177.499 175.328 0.106 0.000 1.062 493 H CA 1.536 57.633 56.048 0.082 0.000 1.364 493 H CB -0.224 29.566 29.762 0.047 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.333 118.752 119.070 0.026 0.000 2.426 494 H HA -0.146 4.409 4.556 -0.001 0.000 0.298 494 H C 2.198 177.423 175.328 -0.173 0.000 1.107 494 H CA 2.061 58.048 56.048 -0.101 0.000 1.298 494 H CB -0.157 29.463 29.762 -0.236 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.174 118.261 119.600 -0.275 0.000 2.288 495 M HA -0.059 4.421 4.480 -0.001 0.000 0.266 495 M C 1.696 178.008 176.300 0.021 0.000 1.072 495 M CA 1.046 56.152 55.300 -0.323 0.000 1.132 495 M CB -0.088 32.174 32.600 -0.564 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.166 120.152 119.950 0.060 0.000 2.163 496 F HA -0.117 4.410 4.527 -0.001 0.000 0.297 496 F C 1.740 177.509 175.800 -0.050 0.000 1.094 496 F CA 1.147 59.279 58.000 0.220 0.000 1.290 496 F CB -0.379 38.586 39.000 -0.059 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.724 120.572 119.914 -0.111 0.000 2.261 497 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 497 V C 2.417 178.312 176.094 -0.333 0.000 1.047 497 V CA 1.962 64.080 62.300 -0.303 0.000 1.015 497 V CB -0.861 30.856 31.823 -0.177 0.000 0.642 497 V HN 0.406 nan 8.190 nan 0.000 0.446 498 L N -0.271 120.746 121.223 -0.344 0.000 1.989 498 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 498 L C 2.634 179.331 176.870 -0.288 0.000 1.071 498 L CA 1.969 56.596 54.840 -0.356 0.000 0.749 498 L CB -0.687 41.093 42.059 -0.464 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.400 119.661 120.200 -0.232 0.000 2.035 499 E HA -0.354 3.996 4.350 -0.001 0.000 0.204 499 E C 2.078 178.465 176.600 -0.355 0.000 1.025 499 E CA 1.834 58.063 56.400 -0.284 0.000 0.835 499 E CB -0.517 29.148 29.700 -0.058 0.000 0.764 499 E HN 0.642 nan 8.360 nan 0.000 0.457 500 Q N 0.461 120.216 119.800 -0.075 0.000 2.376 500 Q HA -0.220 4.120 4.340 -0.001 0.000 0.211 500 Q C 1.809 177.701 176.000 -0.179 0.000 0.986 500 Q CA 1.599 57.346 55.803 -0.093 0.000 0.886 500 Q CB -0.031 28.387 28.738 -0.533 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.220 119.840 120.200 -0.234 0.000 2.076 501 E HA -0.182 4.168 4.350 -0.001 0.000 0.190 501 E C 1.700 178.188 176.600 -0.186 0.000 0.979 501 E CA 0.896 57.183 56.400 -0.188 0.000 0.807 501 E CB 0.168 29.756 29.700 -0.187 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.167 119.853 120.200 -0.300 0.000 2.012 502 E HA -0.148 4.202 4.350 -0.001 0.000 0.197 502 E C 0.067 176.543 176.600 -0.206 0.000 1.007 502 E CA 1.000 57.192 56.400 -0.347 0.000 0.816 502 E CB -0.264 29.106 29.700 -0.549 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.230 110.039 108.800 0.015 0.000 2.148 507 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.157 507 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.157 507 G C 0.186 175.085 174.900 -0.001 0.000 1.012 507 G CA 0.065 45.172 45.100 0.012 0.000 0.677 507 G HN 0.146 nan 8.290 nan 0.000 0.506 508 I N 0.255 120.823 120.570 -0.003 0.000 2.945 508 I HA 0.340 4.510 4.170 -0.001 0.000 0.292 508 I C 0.788 176.911 176.117 0.010 0.000 1.093 508 I CA -0.147 61.123 61.300 -0.051 0.000 1.336 508 I CB 0.962 38.854 38.000 -0.180 0.000 1.435 508 I HN 0.052 nan 8.210 nan 0.000 0.593 509 E N 4.409 124.621 120.200 0.020 0.000 2.267 509 E HA 0.182 4.532 4.350 -0.001 0.000 0.241 509 E C -1.591 175.137 176.600 0.214 0.000 0.950 509 E CA -0.316 56.135 56.400 0.084 0.000 0.776 509 E CB 0.765 30.502 29.700 0.061 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.419 124.658 121.300 -0.103 0.000 2.619 510 W HA 0.306 4.966 4.660 -0.001 0.000 0.327 510 W C -0.849 175.775 176.519 0.176 0.000 1.027 510 W CA -0.645 56.663 57.345 -0.062 0.000 1.233 510 W CB 1.472 30.668 29.460 -0.441 0.000 1.370 510 W HN 0.343 nan 8.180 nan 0.000 0.453 511 E N 4.605 124.592 120.200 -0.355 0.000 2.179 511 E HA 0.500 4.850 4.350 -0.001 0.000 0.275 511 E C -1.068 175.364 176.600 -0.279 0.000 0.945 511 E CA -0.597 55.643 56.400 -0.267 0.000 0.792 511 E CB 1.971 31.536 29.700 -0.225 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.142 119.612 119.950 -0.326 0.000 2.688 512 F HA 0.508 5.034 4.527 -0.001 0.000 0.308 512 F C -1.336 174.441 175.800 -0.039 0.000 1.117 512 F CA -1.231 56.620 58.000 -0.248 0.000 0.976 512 F CB 0.478 39.335 39.000 -0.238 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.496 123.042 120.570 -0.040 0.000 2.638 513 I HA 0.094 4.263 4.170 -0.001 0.000 0.286 513 I C 0.498 176.341 176.117 -0.457 0.000 1.088 513 I CA -0.053 61.148 61.300 -0.165 0.000 1.397 513 I CB 0.435 38.353 38.000 -0.136 0.000 1.414 513 I HN 0.705 nan 8.210 nan 0.000 0.566 514 D N 4.589 124.334 120.400 -1.092 0.000 2.571 514 D HA -0.143 4.497 4.640 -0.001 0.000 0.231 514 D C 0.555 176.364 176.300 -0.817 0.000 1.133 514 D CA 0.709 53.598 54.000 -1.851 0.000 0.862 514 D CB 0.541 40.605 40.800 -1.227 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.719 121.541 119.950 -0.213 0.000 2.710 515 F HA 0.154 4.680 4.527 -0.001 0.000 0.298 515 F C 2.387 178.179 175.800 -0.014 0.000 1.137 515 F CA 0.274 58.271 58.000 -0.006 0.000 1.444 515 F CB -0.222 38.826 39.000 0.080 0.000 1.111 515 F HN 0.495 nan 8.300 nan 0.000 0.580 516 G N 0.300 109.152 108.800 0.086 0.000 2.421 516 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.216 516 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.216 516 G C 1.729 176.675 174.900 0.078 0.000 1.171 516 G CA 0.852 46.022 45.100 0.116 0.000 0.775 516 G HN 0.327 nan 8.290 nan 0.000 0.543 517 M N 0.623 120.226 119.600 0.005 0.000 2.201 517 M HA -0.221 4.258 4.480 -0.001 0.000 0.251 517 M C 1.802 178.130 176.300 0.047 0.000 1.090 517 M CA 2.215 57.516 55.300 0.001 0.000 1.063 517 M CB -0.274 32.289 32.600 -0.063 0.000 1.360 517 M HN 0.146 nan 8.290 nan 0.000 0.401 518 D N -0.153 120.293 120.400 0.077 0.000 2.218 518 D HA -0.104 4.536 4.640 -0.001 0.000 0.204 518 D C 1.619 177.987 176.300 0.113 0.000 0.976 518 D CA 1.317 55.376 54.000 0.098 0.000 0.853 518 D CB 0.012 40.888 40.800 0.127 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.176 121.475 121.223 0.128 0.000 2.477 519 L HA 0.161 4.500 4.340 -0.001 0.000 0.220 519 L C 2.325 179.281 176.870 0.142 0.000 1.106 519 L CA 0.263 55.198 54.840 0.158 0.000 0.851 519 L CB -0.403 41.775 42.059 0.198 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.514 123.400 122.820 0.110 0.000 1.997 520 A HA -0.248 4.072 4.320 -0.001 0.000 0.221 520 A C 2.568 180.209 177.584 0.094 0.000 1.172 520 A CA 1.935 54.030 52.037 0.098 0.000 0.645 520 A CB -0.748 18.292 19.000 0.068 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.049 121.823 122.820 0.086 0.000 1.851 521 A HA -0.265 4.055 4.320 -0.001 0.000 0.216 521 A C 2.468 180.097 177.584 0.075 0.000 1.195 521 A CA 1.843 53.925 52.037 0.075 0.000 0.622 521 A CB -1.513 17.530 19.000 0.073 0.000 0.831 521 A HN 0.852 nan 8.150 nan 0.000 0.444 522 C N -0.608 118.748 119.300 0.093 0.000 2.432 522 C HA -0.080 4.379 4.460 -0.001 0.000 0.277 522 C C 2.611 177.664 174.990 0.105 0.000 1.249 522 C CA 1.082 60.145 59.018 0.075 0.000 1.725 522 C CB -1.551 26.224 27.740 0.059 0.000 2.028 522 C HN 0.582 nan 8.230 nan 0.000 0.477 523 I N 1.476 122.154 120.570 0.181 0.000 2.127 523 I HA -0.226 3.944 4.170 -0.001 0.000 0.241 523 I C 2.608 178.825 176.117 0.166 0.000 1.075 523 I CA 2.134 63.592 61.300 0.263 0.000 1.334 523 I CB -0.643 37.522 38.000 0.275 0.000 1.040 523 I HN 0.466 nan 8.210 nan 0.000 0.405 524 E N 0.691 120.957 120.200 0.109 0.000 2.097 524 E HA -0.299 4.050 4.350 -0.001 0.000 0.196 524 E C 2.229 178.837 176.600 0.014 0.000 1.000 524 E CA 1.402 57.844 56.400 0.070 0.000 0.804 524 E CB -0.715 29.021 29.700 0.060 0.000 0.740 524 E HN 0.413 nan 8.360 nan 0.000 0.454 525 L N 1.028 122.234 121.223 -0.028 0.000 2.127 525 L HA -0.133 4.206 4.340 -0.001 0.000 0.211 525 L C 2.196 178.925 176.870 -0.235 0.000 1.089 525 L CA 1.369 56.122 54.840 -0.145 0.000 0.757 525 L CB -0.104 41.871 42.059 -0.140 0.000 0.899 525 L HN 0.077 nan 8.230 nan 0.000 0.434 526 I N -1.147 119.295 120.570 -0.214 0.000 2.385 526 I HA -0.057 4.112 4.170 -0.001 0.000 0.244 526 I C 1.350 177.284 176.117 -0.305 0.000 1.089 526 I CA 0.420 61.468 61.300 -0.420 0.000 1.410 526 I CB -0.222 37.393 38.000 -0.642 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.984 120.619 119.600 0.058 0.000 2.453 530 M HA 0.325 4.804 4.480 -0.001 0.000 0.239 530 M C 0.747 177.138 176.300 0.152 0.000 1.151 530 M CA 0.411 55.739 55.300 0.047 0.000 0.989 530 M CB 0.117 32.694 32.600 -0.039 0.000 1.548 530 M HN 0.112 nan 8.290 nan 0.000 0.479 531 G N 0.309 109.189 108.800 0.135 0.000 2.572 531 G HA2 0.359 4.319 3.960 -0.001 0.000 0.261 531 G HA3 0.359 4.319 3.960 -0.001 0.000 0.261 531 G C 1.203 176.101 174.900 -0.002 0.000 1.197 531 G CA -0.689 44.438 45.100 0.046 0.000 0.870 531 G HN 0.236 nan 8.290 nan 0.000 0.548 532 I N -0.152 120.296 120.570 -0.202 0.000 2.203 532 I HA -0.354 3.815 4.170 -0.001 0.000 0.237 532 I C 2.483 178.636 176.117 0.061 0.000 0.993 532 I CA 1.928 63.120 61.300 -0.179 0.000 1.277 532 I CB -0.718 37.049 38.000 -0.389 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.084 121.066 119.950 0.053 0.000 2.065 533 F HA -0.243 4.283 4.527 -0.001 0.000 0.298 533 F C 3.052 178.914 175.800 0.103 0.000 1.112 533 F CA 1.827 59.883 58.000 0.093 0.000 1.212 533 F CB -1.385 37.640 39.000 0.042 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.273 116.133 115.700 0.267 0.000 2.365 534 S HA -0.214 4.255 4.470 -0.001 0.000 0.221 534 S C 2.227 176.933 174.600 0.177 0.000 1.037 534 S CA 1.660 59.971 58.200 0.185 0.000 1.060 534 S CB -0.643 62.637 63.200 0.133 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.053 121.728 120.570 0.176 0.000 2.300 535 I HA -0.218 3.952 4.170 -0.001 0.000 0.252 535 I C 2.218 178.503 176.117 0.280 0.000 1.119 535 I CA 0.812 62.229 61.300 0.194 0.000 1.384 535 I CB -0.287 37.803 38.000 0.150 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.094 122.506 121.223 0.315 0.000 2.044 536 L HA -0.181 4.158 4.340 -0.001 0.000 0.205 536 L C 2.387 179.264 176.870 0.012 0.000 1.075 536 L CA 1.842 56.733 54.840 0.085 0.000 0.747 536 L CB -0.689 41.509 42.059 0.231 0.000 0.903 536 L HN 0.339 nan 8.230 nan 0.000 0.435 537 E N -1.505 118.766 120.200 0.118 0.000 2.502 537 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 537 E C 1.520 178.180 176.600 0.100 0.000 1.062 537 E CA 0.355 56.808 56.400 0.089 0.000 0.867 537 E CB -0.045 29.716 29.700 0.102 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.443 121.717 120.200 0.124 0.000 2.065 538 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 538 E C 1.650 178.397 176.600 0.246 0.000 0.960 538 E CA 0.287 56.793 56.400 0.176 0.000 0.824 538 E CB 0.203 30.009 29.700 0.177 0.000 0.793 538 E HN 0.025 nan 8.360 nan 0.000 0.459 539 E N 0.232 120.532 120.200 0.166 0.000 2.233 539 E HA -0.208 4.141 4.350 -0.001 0.000 0.199 539 E C 1.671 178.374 176.600 0.172 0.000 1.004 539 E CA 0.915 57.399 56.400 0.139 0.000 0.819 539 E CB -0.266 29.447 29.700 0.021 0.000 0.738 539 E HN 0.243 nan 8.360 nan 0.000 0.478 540 C N -0.506 118.849 119.300 0.091 0.000 2.466 540 C HA 0.037 4.497 4.460 -0.001 0.000 0.283 540 C C 2.171 177.218 174.990 0.095 0.000 1.472 540 C CA 0.434 59.485 59.018 0.055 0.000 1.765 540 C CB -0.894 26.854 27.740 0.013 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.675 118.019 119.600 0.158 0.000 2.465 541 M HA 0.210 4.689 4.480 -0.001 0.000 0.249 541 M C -0.286 176.008 176.300 -0.010 0.000 1.130 541 M CA 0.418 55.756 55.300 0.064 0.000 1.067 541 M CB 0.223 32.840 32.600 0.029 0.000 1.394 541 M HN 0.120 nan 8.290 nan 0.000 0.483 542 F N 1.535 121.492 119.950 0.011 0.000 2.404 542 F HA 0.233 4.760 4.527 0.000 0.000 0.359 542 F C -1.478 174.328 175.800 0.011 0.000 1.134 542 F CA -2.255 55.754 58.000 0.014 0.000 1.160 542 F CB 0.240 39.252 39.000 0.020 0.000 1.186 542 F HN -0.020 nan 8.300 nan 0.000 0.526 543 P HA -0.186 nan 4.420 nan 0.000 0.224 543 P C 0.255 177.605 177.300 0.083 0.000 1.142 543 P CA 1.380 64.516 63.100 0.061 0.000 0.778 543 P CB 0.187 31.898 31.700 0.018 0.000 0.764 544 K N -1.251 119.226 120.400 0.129 0.000 3.012 544 K HA 0.435 4.754 4.320 -0.001 0.000 0.207 544 K C -0.237 176.429 176.600 0.111 0.000 1.130 544 K CA -0.338 56.011 56.287 0.103 0.000 1.021 544 K CB 1.140 33.694 32.500 0.090 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.403 123.296 122.820 0.121 0.000 2.264 545 A HA 0.680 5.000 4.320 -0.001 0.000 0.304 545 A C 0.026 177.645 177.584 0.057 0.000 1.100 545 A CA -0.060 52.026 52.037 0.081 0.000 0.839 545 A CB 0.847 19.898 19.000 0.084 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.162 114.423 114.554 0.051 0.000 2.916 546 T HA 0.340 4.690 4.350 -0.001 0.000 0.292 546 T C 0.168 174.918 174.700 0.083 0.000 1.064 546 T CA -0.386 61.747 62.100 0.055 0.000 1.011 546 T CB 1.474 70.372 68.868 0.050 0.000 1.152 546 T HN 0.583 nan 8.240 nan 0.000 0.510 547 D N 0.972 121.418 120.400 0.077 0.000 2.104 547 D HA -0.087 4.552 4.640 -0.001 0.000 0.194 547 D C 2.092 178.462 176.300 0.117 0.000 0.994 547 D CA 1.514 55.583 54.000 0.116 0.000 0.830 547 D CB -0.315 40.509 40.800 0.039 0.000 0.959 547 D HN 0.466 nan 8.370 nan 0.000 0.452 548 T N 0.119 114.712 114.554 0.066 0.000 2.720 548 T HA -0.185 4.165 4.350 -0.001 0.000 0.268 548 T C 2.075 176.802 174.700 0.044 0.000 1.037 548 T CA 1.824 63.955 62.100 0.052 0.000 1.144 548 T CB -0.310 68.593 68.868 0.057 0.000 0.864 548 T HN 0.240 nan 8.240 nan 0.000 0.444 549 S N 1.317 117.051 115.700 0.056 0.000 2.354 549 S HA -0.116 4.353 4.470 -0.001 0.000 0.219 549 S C 1.051 175.678 174.600 0.045 0.000 1.035 549 S CA 0.473 58.692 58.200 0.031 0.000 1.037 549 S CB -0.901 62.308 63.200 0.016 0.000 0.956 549 S HN 0.371 nan 8.310 nan 0.000 0.428 555 Y N 0.936 121.144 120.300 -0.152 0.000 2.114 555 Y HA -0.091 4.459 4.550 -0.001 0.000 0.284 555 Y C 2.206 178.034 175.900 -0.119 0.000 1.119 555 Y CA 1.711 59.783 58.100 -0.046 0.000 1.108 555 Y CB -0.669 37.818 38.460 0.045 0.000 0.995 555 Y HN 0.143 nan 8.280 nan 0.000 0.491 556 D N -0.140 120.312 120.400 0.086 0.000 2.244 556 D HA -0.246 4.393 4.640 -0.001 0.000 0.197 556 D C 1.948 178.186 176.300 -0.103 0.000 1.006 556 D CA 1.973 55.966 54.000 -0.013 0.000 0.888 556 D CB -0.140 40.640 40.800 -0.033 0.000 0.912 556 D HN 0.494 nan 8.370 nan 0.000 0.452 557 E N -1.470 118.602 120.200 -0.212 0.000 2.307 557 E HA -0.042 4.308 4.350 -0.001 0.000 0.195 557 E C 1.524 177.770 176.600 -0.591 0.000 0.975 557 E CA 0.735 56.898 56.400 -0.395 0.000 0.878 557 E CB 0.228 29.631 29.700 -0.497 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.713 118.118 119.070 -0.399 0.000 2.788 558 H HA 0.225 4.780 4.556 -0.001 0.000 0.262 558 H C 0.237 175.406 175.328 -0.265 0.000 0.968 558 H CA -0.164 55.553 56.048 -0.553 0.000 1.218 558 H CB 0.263 29.251 29.762 -1.290 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.242 122.497 121.223 0.053 0.000 2.499 559 L HA 0.160 4.500 4.340 -0.001 0.000 0.273 559 L C 1.306 178.271 176.870 0.157 0.000 1.195 559 L CA 1.120 56.159 54.840 0.331 0.000 0.882 559 L CB 0.340 42.649 42.059 0.417 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.022 111.926 108.800 0.173 0.000 2.347 560 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.247 560 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.247 560 G C 1.217 176.163 174.900 0.076 0.000 1.037 560 G CA 0.544 45.702 45.100 0.096 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.149 120.590 120.400 0.068 0.000 2.323 561 K HA 0.304 4.624 4.320 -0.001 0.000 0.197 561 K C 0.416 177.059 176.600 0.070 0.000 1.043 561 K CA 0.665 56.977 56.287 0.040 0.000 0.997 561 K CB 0.208 32.701 32.500 -0.011 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.044 115.818 115.700 0.123 0.000 2.532 562 S HA 0.214 4.683 4.470 -0.001 0.000 0.299 562 S C 0.224 174.935 174.600 0.186 0.000 1.105 562 S CA -0.644 57.646 58.200 0.150 0.000 1.018 562 S CB 1.775 65.071 63.200 0.160 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.748 121.528 118.700 0.134 0.000 2.250 563 N HA -0.034 4.705 4.740 -0.001 0.000 0.181 563 N C 1.029 176.613 175.510 0.124 0.000 1.017 563 N CA 0.749 53.869 53.050 0.115 0.000 0.866 563 N CB 0.008 38.545 38.487 0.083 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.853 117.924 118.700 0.129 0.000 2.494 564 N HA -0.025 4.714 4.740 -0.001 0.000 0.182 564 N C -0.619 174.982 175.510 0.151 0.000 1.076 564 N CA 0.176 53.293 53.050 0.113 0.000 0.908 564 N CB 0.162 38.698 38.487 0.081 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.652 121.623 119.950 0.035 0.000 2.404 565 F HA 0.359 4.885 4.527 -0.000 0.000 0.345 565 F C -0.133 175.729 175.800 0.103 0.000 1.110 565 F CA -0.253 57.780 58.000 0.055 0.000 1.130 565 F CB 0.636 39.645 39.000 0.015 0.000 1.129 565 F HN -0.119 nan 8.300 nan 0.000 0.500 566 Q N 4.171 123.708 119.800 -0.439 0.000 2.482 566 Q HA 0.268 4.608 4.340 -0.001 0.000 0.286 566 Q C -1.442 174.423 176.000 -0.226 0.000 1.007 566 Q CA -1.301 54.387 55.803 -0.191 0.000 0.801 566 Q CB 2.993 31.695 28.738 -0.060 0.000 1.455 566 Q HN 0.641 nan 8.270 nan 0.000 0.398 567 K N 0.558 120.927 120.400 -0.052 0.000 2.172 567 K HA 0.576 4.896 4.320 -0.001 0.000 0.276 567 K C -2.543 174.055 176.600 -0.003 0.000 1.013 567 K CA -1.688 54.616 56.287 0.028 0.000 0.913 567 K CB 0.773 33.287 32.500 0.024 0.000 1.055 567 K HN 0.114 nan 8.250 nan 0.000 0.461 568 P HA -0.002 nan 4.420 nan 0.000 0.269 568 P C -0.996 176.287 177.300 -0.029 0.000 1.215 568 P CA -0.305 62.778 63.100 -0.029 0.000 0.780 568 P CB 0.481 32.151 31.700 -0.050 0.000 0.898 569 K N 3.195 123.575 120.400 -0.033 0.000 2.250 569 K HA 0.160 4.480 4.320 -0.001 0.000 0.285 569 K C -1.607 174.974 176.600 -0.033 0.000 1.097 569 K CA -1.562 54.709 56.287 -0.026 0.000 0.913 569 K CB 0.594 33.083 32.500 -0.018 0.000 1.179 569 K HN 0.299 nan 8.250 nan 0.000 0.462 570 P HA -0.049 nan 4.420 nan 0.000 0.225 570 P C -0.290 177.001 177.300 -0.015 0.000 1.156 570 P CA 0.514 63.595 63.100 -0.032 0.000 0.787 570 P CB 0.429 32.109 31.700 -0.033 0.000 0.802 571 A N -1.164 121.650 122.820 -0.010 0.000 2.384 571 A HA 0.763 5.082 4.320 -0.001 0.000 0.312 571 A C 0.213 177.798 177.584 0.002 0.000 1.113 571 A CA -0.280 51.757 52.037 -0.001 0.000 0.779 571 A CB 1.681 20.680 19.000 -0.001 0.000 1.307 571 A HN -0.063 nan 8.150 nan 0.000 0.436 572 K N -0.980 119.425 120.400 0.007 0.000 8.038 572 K HA -0.087 4.233 4.320 -0.001 0.000 0.228 572 K C 0.900 177.509 176.600 0.016 0.000 1.590 572 K CA 0.184 56.477 56.287 0.010 0.000 0.932 572 K CB -1.040 31.465 32.500 0.008 0.000 0.482 572 K HN 1.011 nan 8.250 nan 0.000 0.444 573 G N 1.837 110.649 108.800 0.020 0.000 3.088 573 G HA2 0.138 4.098 3.960 -0.001 0.000 0.217 573 G HA3 0.138 4.098 3.960 -0.001 0.000 0.217 573 G C -0.102 174.825 174.900 0.044 0.000 1.159 573 G CA 0.077 45.195 45.100 0.029 0.000 0.760 573 G HN 0.081 nan 8.290 nan 0.000 0.550 574 K N -0.218 120.204 120.400 0.037 0.000 2.126 574 K HA 0.544 4.863 4.320 -0.001 0.000 0.257 574 K C 0.931 177.572 176.600 0.069 0.000 1.007 574 K CA 0.054 56.373 56.287 0.053 0.000 0.928 574 K CB 1.670 34.179 32.500 0.015 0.000 1.013 574 K HN 0.002 nan 8.250 nan 0.000 0.473 575 A N 1.252 124.145 122.820 0.121 0.000 2.108 575 A HA 0.084 4.404 4.320 -0.001 0.000 0.206 575 A C 0.525 178.176 177.584 0.111 0.000 1.212 575 A CA 0.692 52.810 52.037 0.134 0.000 0.843 575 A CB 0.300 19.435 19.000 0.224 0.000 0.902 575 A HN 0.800 nan 8.150 nan 0.000 0.477 576 E N -2.463 117.793 120.200 0.094 0.000 2.394 576 E HA 0.619 4.969 4.350 -0.001 0.000 0.266 576 E C -1.631 174.905 176.600 -0.106 0.000 1.065 576 E CA -0.482 55.920 56.400 0.003 0.000 0.885 576 E CB 1.470 31.180 29.700 0.017 0.000 1.659 576 E HN 0.289 nan 8.360 nan 0.000 0.462 577 A N 0.539 123.201 122.820 -0.263 0.000 2.324 577 A HA 0.672 4.991 4.320 -0.001 0.000 0.330 577 A C -0.636 176.463 177.584 -0.807 0.000 1.165 577 A CA -0.092 51.747 52.037 -0.330 0.000 0.813 577 A CB 0.611 19.487 19.000 -0.207 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.599 119.666 119.070 -0.006 0.000 1.718 578 H HA 0.157 4.712 4.556 -0.001 0.000 0.132 578 H C -0.833 174.578 175.328 0.139 0.000 1.127 578 H CA 0.989 57.062 56.048 0.043 0.000 0.969 578 H CB 0.483 30.226 29.762 -0.032 0.000 0.595 578 H HN 0.992 nan 8.280 nan 0.000 0.274 579 F N 1.373 121.331 119.950 0.014 0.000 2.680 579 F HA 0.577 5.103 4.527 -0.001 0.000 0.315 579 F C -1.594 174.182 175.800 -0.040 0.000 1.099 579 F CA -1.063 56.861 58.000 -0.126 0.000 1.033 579 F CB 1.030 39.845 39.000 -0.307 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.418 119.112 115.700 -0.010 0.000 2.593 580 S HA 0.899 5.368 4.470 -0.001 0.000 0.297 580 S C -1.238 173.438 174.600 0.126 0.000 1.112 580 S CA -0.761 57.439 58.200 -0.000 0.000 1.043 580 S CB 2.260 65.438 63.200 -0.036 0.000 1.054 580 S HN 0.747 nan 8.310 nan 0.000 0.516 581 L N 1.228 122.581 121.223 0.217 0.000 2.341 581 L HA 0.578 4.918 4.340 -0.001 0.000 0.267 581 L C -0.829 176.133 176.870 0.153 0.000 1.009 581 L CA -0.616 54.344 54.840 0.200 0.000 0.819 581 L CB 2.299 44.515 42.059 0.261 0.000 1.323 581 L HN 0.632 nan 8.230 nan 0.000 0.425 582 V N 3.037 122.993 119.914 0.070 0.000 2.217 582 V HA 0.314 4.434 4.120 -0.001 0.000 0.264 582 V C 0.149 176.294 176.094 0.085 0.000 1.107 582 V CA -0.655 61.701 62.300 0.093 0.000 0.913 582 V CB -0.369 31.500 31.823 0.077 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.684 121.835 119.070 0.136 0.000 2.544 583 H HA 0.103 4.658 4.556 -0.001 0.000 0.365 583 H C 1.190 176.472 175.328 -0.076 0.000 1.268 583 H CA 0.227 56.328 56.048 0.089 0.000 1.400 583 H CB 1.231 31.123 29.762 0.216 0.000 1.538 583 H HN 0.665 nan 8.280 nan 0.000 0.597 584 Y N -0.048 120.317 120.300 0.108 0.000 2.207 584 Y HA -0.161 4.389 4.550 -0.001 0.000 0.287 584 Y C 2.211 178.025 175.900 -0.144 0.000 1.156 584 Y CA 1.079 59.169 58.100 -0.017 0.000 1.182 584 Y CB -0.906 37.544 38.460 -0.016 0.000 0.979 584 Y HN 0.526 nan 8.280 nan 0.000 0.521 585 A N 0.516 122.740 122.820 -0.994 0.000 2.014 585 A HA 0.433 4.752 4.320 -0.001 0.000 0.218 585 A C 1.581 178.954 177.584 -0.353 0.000 1.163 585 A CA 1.322 52.897 52.037 -0.770 0.000 0.652 585 A CB -1.109 16.959 19.000 -1.555 0.000 0.808 585 A HN 0.982 nan 8.150 nan 0.000 0.449 586 G N -2.861 105.807 108.800 -0.220 0.000 2.350 586 G HA2 0.330 4.289 3.960 -0.001 0.000 0.276 586 G HA3 0.330 4.289 3.960 -0.001 0.000 0.276 586 G C -0.773 174.193 174.900 0.110 0.000 1.313 586 G CA -0.108 44.979 45.100 -0.022 0.000 0.903 586 G HN 0.200 nan 8.290 nan 0.000 0.490 587 T N 0.640 115.247 114.554 0.088 0.000 2.743 587 T HA 0.550 4.899 4.350 -0.001 0.000 0.293 587 T C -0.057 174.671 174.700 0.047 0.000 0.945 587 T CA -0.101 62.056 62.100 0.095 0.000 1.030 587 T CB 1.202 70.093 68.868 0.039 0.000 0.912 587 T HN 0.729 nan 8.240 nan 0.000 0.483 588 V N 4.429 124.374 119.914 0.052 0.000 2.417 588 V HA 0.317 4.437 4.120 -0.001 0.000 0.291 588 V C -0.132 175.719 176.094 -0.405 0.000 1.024 588 V CA -1.025 61.118 62.300 -0.262 0.000 0.861 588 V CB 1.810 33.329 31.823 -0.505 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.269 124.417 120.400 -0.420 0.000 2.347 589 D HA 0.326 4.966 4.640 -0.001 0.000 0.235 589 D C -0.932 175.076 176.300 -0.487 0.000 1.149 589 D CA 0.110 53.902 54.000 -0.346 0.000 0.850 589 D CB 1.183 41.867 40.800 -0.193 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.288 121.305 120.300 -0.472 0.000 2.342 590 Y HA 0.169 4.718 4.550 -0.001 0.000 0.334 590 Y C 1.009 176.658 175.900 -0.418 0.000 1.067 590 Y CA -0.873 56.904 58.100 -0.539 0.000 1.128 590 Y CB 1.192 39.151 38.460 -0.835 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.954 122.596 118.700 -0.097 0.000 2.424 591 N HA 0.276 5.015 4.740 -0.001 0.000 0.271 591 N C -1.106 174.226 175.510 -0.296 0.000 0.985 591 N CA -0.306 52.748 53.050 0.006 0.000 0.921 591 N CB 0.789 39.218 38.487 -0.097 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.860 122.893 120.570 -0.895 0.000 2.261 592 I HA 0.050 4.219 4.170 -0.001 0.000 0.285 592 I C 0.198 175.818 176.117 -0.829 0.000 1.113 592 I CA -0.229 60.168 61.300 -1.506 0.000 1.377 592 I CB 0.045 37.387 38.000 -1.096 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.287 117.821 115.700 -0.277 0.000 2.652 593 S HA 0.693 5.162 4.470 -0.001 0.000 0.252 593 S C 0.280 175.051 174.600 0.286 0.000 1.219 593 S CA 0.079 58.303 58.200 0.041 0.000 1.151 593 S CB 1.281 64.532 63.200 0.085 0.000 1.080 593 S HN 0.803 nan 8.310 nan 0.000 0.481 594 G N 2.750 111.711 108.800 0.268 0.000 2.318 594 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.172 594 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.172 594 G C 0.571 175.578 174.900 0.179 0.000 1.002 594 G CA 0.082 45.306 45.100 0.207 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.779 121.988 121.300 -0.152 0.000 2.317 595 W HA 0.115 4.774 4.660 -0.001 0.000 0.318 595 W C 2.394 178.652 176.519 -0.435 0.000 1.227 595 W CA 1.488 58.619 57.345 -0.357 0.000 1.269 595 W CB -1.308 28.001 29.460 -0.252 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.192 121.367 121.223 -0.081 0.000 1.997 596 L HA -0.195 4.144 4.340 -0.001 0.000 0.216 596 L C 1.688 178.484 176.870 -0.122 0.000 1.074 596 L CA 1.739 56.482 54.840 -0.161 0.000 0.763 596 L CB -1.278 40.718 42.059 -0.105 0.000 0.890 596 L HN -0.081 nan 8.230 nan 0.000 0.434 602 P HA 0.370 nan 4.420 nan 0.000 0.271 602 P C -0.872 176.450 177.300 0.037 0.000 1.233 602 P CA -0.375 62.748 63.100 0.039 0.000 0.764 602 P CB 0.689 32.401 31.700 0.020 0.000 0.825 603 L N 2.992 124.235 121.223 0.032 0.000 2.436 603 L HA 0.316 4.655 4.340 -0.001 0.000 0.268 603 L C 0.105 176.951 176.870 -0.039 0.000 0.974 603 L CA -0.840 54.001 54.840 0.002 0.000 0.826 603 L CB 1.680 43.736 42.059 -0.004 0.000 1.291 603 L HN 0.317 nan 8.230 nan 0.000 0.406 604 N N 2.168 120.826 118.700 -0.070 0.000 2.406 604 N HA -0.031 4.708 4.740 -0.001 0.000 0.274 604 N C 0.621 176.042 175.510 -0.148 0.000 1.249 604 N CA 0.480 53.471 53.050 -0.098 0.000 0.951 604 N CB 0.496 38.922 38.487 -0.101 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.614 121.750 120.200 -0.107 0.000 2.333 605 E HA -0.138 4.212 4.350 -0.001 0.000 0.198 605 E C 0.916 177.432 176.600 -0.141 0.000 1.007 605 E CA 1.323 57.655 56.400 -0.112 0.000 0.845 605 E CB 0.174 29.849 29.700 -0.040 0.000 0.766 605 E HN 0.665 nan 8.360 nan 0.000 0.507 606 T N 0.105 114.581 114.554 -0.130 0.000 2.737 606 T HA -0.122 4.228 4.350 -0.001 0.000 0.265 606 T C 2.047 176.631 174.700 -0.193 0.000 1.038 606 T CA 1.144 63.171 62.100 -0.122 0.000 1.144 606 T CB -0.157 68.660 68.868 -0.086 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.179 121.934 119.914 -0.265 0.000 2.287 607 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 607 V C 2.489 178.130 176.094 -0.756 0.000 1.053 607 V CA 1.419 63.458 62.300 -0.434 0.000 1.027 607 V CB -0.754 30.806 31.823 -0.437 0.000 0.646 607 V HN 0.496 nan 8.190 nan 0.000 0.447 608 I N 1.004 121.126 120.570 -0.746 0.000 2.315 608 I HA -0.229 3.940 4.170 -0.001 0.000 0.251 608 I C 2.565 178.412 176.117 -0.450 0.000 1.125 608 I CA 1.779 62.581 61.300 -0.829 0.000 1.392 608 I CB -1.361 36.311 38.000 -0.546 0.000 1.065 608 I HN 0.461 nan 8.210 nan 0.000 0.424 609 G N 1.584 110.209 108.800 -0.292 0.000 2.459 609 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 609 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 609 G C 1.532 176.368 174.900 -0.105 0.000 1.183 609 G CA 0.445 45.463 45.100 -0.138 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.007 121.143 121.223 -0.144 0.000 2.043 610 L HA -0.087 4.253 4.340 -0.001 0.000 0.212 610 L C 2.719 179.633 176.870 0.074 0.000 1.075 610 L CA 0.919 55.736 54.840 -0.039 0.000 0.752 610 L CB -1.347 40.691 42.059 -0.035 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.252 119.979 120.300 -0.115 0.000 2.128 611 Y HA -0.153 4.397 4.550 -0.001 0.000 0.284 611 Y C 1.914 177.792 175.900 -0.037 0.000 1.154 611 Y CA -0.140 57.895 58.100 -0.108 0.000 1.149 611 Y CB -1.169 37.116 38.460 -0.292 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.612 116.316 115.700 0.006 0.000 2.528 615 S HA 0.253 4.722 4.470 -0.001 0.000 0.219 615 S C 0.727 175.313 174.600 -0.024 0.000 0.985 615 S CA 0.124 58.321 58.200 -0.004 0.000 0.914 615 S CB -0.120 63.079 63.200 -0.001 0.000 0.776 615 S HN 0.537 nan 8.310 nan 0.000 0.526 619 L N 2.876 123.938 121.223 -0.269 0.000 2.042 619 L HA 0.269 4.608 4.340 -0.001 0.000 0.210 619 L C 2.519 179.361 176.870 -0.045 0.000 1.076 619 L CA 2.728 57.460 54.840 -0.181 0.000 0.749 619 L CB -0.950 41.011 42.059 -0.163 0.000 0.893 619 L HN 0.389 nan 8.230 nan 0.000 0.432 620 A N -0.670 122.128 122.820 -0.038 0.000 1.883 620 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 620 A C 2.239 179.847 177.584 0.040 0.000 1.186 620 A CA 2.059 54.119 52.037 0.038 0.000 0.624 620 A CB -0.970 18.040 19.000 0.016 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.960 120.225 121.223 -0.063 0.000 1.970 621 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 621 L C 2.333 179.166 176.870 -0.061 0.000 1.071 621 L CA 1.593 56.387 54.840 -0.077 0.000 0.751 621 L CB -0.673 41.288 42.059 -0.164 0.000 0.889 621 L HN 0.319 nan 8.230 nan 0.000 0.432 622 L N -1.583 119.524 121.223 -0.194 0.000 2.171 622 L HA -0.294 4.046 4.340 -0.001 0.000 0.216 622 L C 2.161 178.972 176.870 -0.098 0.000 1.084 622 L CA 1.899 56.602 54.840 -0.230 0.000 0.771 622 L CB -0.897 40.943 42.059 -0.365 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.682 118.342 119.950 0.124 0.000 2.664 623 F HA 0.127 4.653 4.527 -0.001 0.000 0.296 623 F C 2.192 178.171 175.800 0.299 0.000 1.125 623 F CA 0.468 58.636 58.000 0.279 0.000 1.444 623 F CB -0.546 38.568 39.000 0.190 0.000 1.114 623 F HN 0.015 nan 8.300 nan 0.000 0.576 624 A N -0.028 122.961 122.820 0.282 0.000 1.909 624 A HA -0.393 3.927 4.320 -0.001 0.000 0.221 624 A C 2.336 180.007 177.584 0.144 0.000 1.223 624 A CA 2.842 54.981 52.037 0.170 0.000 0.658 624 A CB -1.575 17.479 19.000 0.089 0.000 0.831 624 A HN 0.371 nan 8.150 nan 0.000 0.462 625 T N -2.487 112.122 114.554 0.091 0.000 2.833 625 T HA -0.173 4.177 4.350 -0.001 0.000 0.269 625 T C 1.681 176.341 174.700 -0.067 0.000 1.054 625 T CA 1.798 63.873 62.100 -0.042 0.000 1.135 625 T CB -0.490 68.295 68.868 -0.138 0.000 0.869 625 T HN 0.547 nan 8.240 nan 0.000 0.466 626 Y N 1.224 121.617 120.300 0.155 0.000 2.163 626 Y HA 0.177 4.726 4.550 -0.001 0.000 0.288 626 Y C 2.993 178.957 175.900 0.107 0.000 1.136 626 Y CA 0.993 59.194 58.100 0.168 0.000 1.147 626 Y CB -0.980 37.644 38.460 0.274 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.436 108.528 108.800 0.275 0.000 2.432 627 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.219 627 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.219 627 G C 1.931 176.885 174.900 0.089 0.000 1.135 627 G CA 0.934 46.127 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.122 108.962 108.800 0.066 0.000 2.511 628 G HA2 0.049 4.008 3.960 -0.001 0.000 0.217 628 G HA3 0.049 4.008 3.960 -0.001 0.000 0.217 628 G C 1.472 176.374 174.900 0.004 0.000 1.133 628 G CA 0.529 45.643 45.100 0.023 0.000 0.792 628 G HN 0.529 nan 8.290 nan 0.000 0.539 629 E N 0.336 120.537 120.200 0.000 0.000 2.447 629 E HA 0.238 4.587 4.350 -0.001 0.000 0.195 629 E C 2.608 179.215 176.600 0.011 0.000 1.028 629 E CA 0.234 56.622 56.400 -0.020 0.000 0.876 629 E CB 0.214 29.879 29.700 -0.059 0.000 0.885 629 E HN 0.359 nan 8.360 nan 0.000 0.500 630 A N 1.719 124.561 122.820 0.037 0.000 2.024 630 A HA -0.259 4.060 4.320 -0.001 0.000 0.220 630 A C 1.864 179.459 177.584 0.018 0.000 1.164 630 A CA 1.307 53.367 52.037 0.038 0.000 0.643 630 A CB -0.337 18.691 19.000 0.046 0.000 0.806 630 A HN 0.196 nan 8.150 nan 0.000 0.451 631 E N -0.704 119.503 120.200 0.011 0.000 2.097 631 E HA -0.187 4.162 4.350 -0.001 0.000 0.196 631 E C 2.064 178.663 176.600 -0.002 0.000 1.000 631 E CA 0.988 57.390 56.400 0.003 0.000 0.804 631 E CB -0.419 29.280 29.700 -0.001 0.000 0.740 631 E HN 0.634 nan 8.360 nan 0.000 0.454 632 G N 0.433 109.230 108.800 -0.006 0.000 2.471 632 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.219 632 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.219 632 G C 1.048 175.943 174.900 -0.007 0.000 1.125 632 G CA 0.688 45.781 45.100 -0.011 0.000 0.775 632 G HN 0.329 nan 8.290 nan 0.000 0.548 633 G N -0.265 108.535 108.800 0.001 0.000 4.637 633 G HA2 0.434 4.393 3.960 -0.001 0.000 0.294 633 G HA3 0.434 4.393 3.960 -0.001 0.000 0.294 633 G C 1.087 175.991 174.900 0.005 0.000 1.215 633 G CA 0.647 45.749 45.100 0.004 0.000 0.943 633 G HN 0.333 nan 8.290 nan 0.000 0.572 634 G N 0.679 109.480 108.800 0.001 0.000 2.446 634 G HA2 0.233 4.192 3.960 -0.001 0.000 0.217 634 G HA3 0.233 4.192 3.960 -0.001 0.000 0.217 634 G C 0.938 175.837 174.900 -0.001 0.000 1.168 634 G CA 0.941 46.042 45.100 0.001 0.000 0.771 634 G HN 0.726 nan 8.290 nan 0.000 0.551 635 G N -0.826 107.971 108.800 -0.005 0.000 2.471 635 G HA2 0.522 4.481 3.960 -0.001 0.000 0.332 635 G HA3 0.522 4.481 3.960 -0.001 0.000 0.332 635 G C -0.558 174.336 174.900 -0.009 0.000 1.176 635 G CA -0.864 44.232 45.100 -0.007 0.000 0.949 635 G HN 0.251 nan 8.290 nan 0.000 0.488 636 K N 1.396 121.791 120.400 -0.009 0.000 2.511 636 K HA 0.218 4.538 4.320 -0.001 0.000 0.280 636 K C -0.052 176.536 176.600 -0.020 0.000 1.008 636 K CA 0.829 57.109 56.287 -0.011 0.000 1.050 636 K CB 0.239 32.734 32.500 -0.009 0.000 0.889 636 K HN 0.658 nan 8.250 nan 0.000 0.484 637 K N -0.330 120.056 120.400 -0.023 0.000 7.478 637 K HA -0.114 4.205 4.320 -0.001 0.000 1.018 637 K C 0.169 176.741 176.600 -0.047 0.000 1.997 637 K CA -0.010 56.250 56.287 -0.044 0.000 1.165 637 K CB -1.239 31.227 32.500 -0.057 0.000 2.198 637 K HN 0.978 nan 8.250 nan 0.000 0.323 638 G N -0.934 107.829 108.800 -0.062 0.000 2.482 638 G HA2 0.264 4.223 3.960 -0.001 0.000 0.214 638 G HA3 0.264 4.223 3.960 -0.001 0.000 0.214 638 G C -0.308 174.569 174.900 -0.038 0.000 1.271 638 G CA 0.043 45.111 45.100 -0.053 0.000 0.944 638 G HN 1.270 nan 8.290 nan 0.000 0.568 639 G N -0.623 108.162 108.800 -0.024 0.000 2.644 639 G HA2 0.614 4.573 3.960 -0.001 0.000 0.300 639 G HA3 0.614 4.573 3.960 -0.001 0.000 0.300 639 G C 0.476 175.373 174.900 -0.005 0.000 1.395 639 G CA 0.343 45.436 45.100 -0.012 0.000 0.964 639 G HN 0.696 nan 8.290 nan 0.000 0.511 640 K N 1.314 121.718 120.400 0.007 0.000 2.211 640 K HA -0.065 4.254 4.320 -0.001 0.000 0.203 640 K C 2.044 178.632 176.600 -0.020 0.000 1.050 640 K CA 0.830 57.124 56.287 0.011 0.000 0.945 640 K CB 0.189 32.716 32.500 0.045 0.000 0.732 640 K HN 0.408 nan 8.250 nan 0.000 0.451 641 K N 1.133 121.515 120.400 -0.030 0.000 2.283 641 K HA -0.097 4.223 4.320 -0.001 0.000 0.202 641 K C 1.678 178.244 176.600 -0.058 0.000 1.048 641 K CA 0.941 57.190 56.287 -0.063 0.000 0.948 641 K CB 0.020 32.492 32.500 -0.045 0.000 0.742 641 K HN 0.114 nan 8.250 nan 0.000 0.458 642 K N -0.054 120.323 120.400 -0.038 0.000 2.160 642 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 642 K C 1.846 178.425 176.600 -0.036 0.000 1.047 642 K CA 1.397 57.665 56.287 -0.032 0.000 0.930 642 K CB -0.065 32.422 32.500 -0.022 0.000 0.720 642 K HN 0.273 nan 8.250 nan 0.000 0.450 643 G N -0.464 108.311 108.800 -0.041 0.000 3.377 643 G HA2 0.056 4.016 3.960 -0.001 0.000 0.257 643 G HA3 0.056 4.016 3.960 -0.001 0.000 0.257 643 G C 0.136 174.994 174.900 -0.070 0.000 1.038 643 G CA 0.334 45.409 45.100 -0.041 0.000 0.809 643 G HN 0.186 nan 8.290 nan 0.000 0.526 644 S N -1.235 114.400 115.700 -0.109 0.000 2.872 644 S HA -0.210 4.259 4.470 -0.001 0.000 0.270 644 S C 0.453 174.881 174.600 -0.287 0.000 1.345 644 S CA 0.431 58.518 58.200 -0.189 0.000 1.080 644 S CB -2.676 60.427 63.200 -0.163 0.000 1.328 644 S HN 1.637 nan 8.310 nan 0.000 0.692 645 S N 0.833 116.416 115.700 -0.196 0.000 2.586 645 S HA 0.763 5.232 4.470 -0.001 0.000 0.274 645 S C 0.050 174.537 174.600 -0.189 0.000 1.281 645 S CA -0.828 57.273 58.200 -0.166 0.000 1.035 645 S CB 0.214 63.425 63.200 0.019 0.000 0.962 645 S HN 0.376 nan 8.310 nan 0.000 0.512 646 F N 1.468 121.420 119.950 0.004 0.000 2.518 646 F HA 0.209 4.736 4.527 -0.000 0.000 0.359 646 F C 1.834 177.651 175.800 0.028 0.000 1.118 646 F CA 0.037 58.047 58.000 0.016 0.000 1.287 646 F CB 0.474 39.490 39.000 0.028 0.000 1.132 646 F HN 0.706 nan 8.300 nan 0.000 0.587 647 Q N 0.083 119.998 119.800 0.191 0.000 2.392 647 Q HA 0.103 4.443 4.340 -0.001 0.000 0.219 647 Q C 0.371 176.441 176.000 0.116 0.000 0.895 647 Q CA 0.403 56.277 55.803 0.118 0.000 0.929 647 Q CB 0.897 29.679 28.738 0.072 0.000 1.077 647 Q HN 0.675 nan 8.270 nan 0.000 0.532 648 T N -0.798 113.843 114.554 0.144 0.000 2.900 648 T HA 0.245 4.595 4.350 -0.001 0.000 0.295 648 T C 0.115 174.868 174.700 0.087 0.000 1.044 648 T CA -0.495 61.661 62.100 0.094 0.000 0.995 648 T CB 2.061 70.977 68.868 0.080 0.000 1.072 648 T HN -0.181 nan 8.240 nan 0.000 0.473 649 V N 3.480 123.414 119.914 0.032 0.000 3.592 649 V HA 0.091 4.211 4.120 -0.001 0.000 0.272 649 V C 1.468 177.639 176.094 0.129 0.000 1.228 649 V CA 1.913 64.241 62.300 0.046 0.000 1.173 649 V CB -0.467 31.343 31.823 -0.022 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.526 113.227 115.700 0.090 0.000 2.546 650 S HA 0.243 4.712 4.470 -0.001 0.000 0.282 650 S C 1.770 176.354 174.600 -0.027 0.000 1.074 650 S CA 0.524 58.713 58.200 -0.018 0.000 1.254 650 S CB 0.205 63.292 63.200 -0.188 0.000 1.103 650 S HN 0.372 nan 8.310 nan 0.000 0.589 651 A N 2.278 125.132 122.820 0.057 0.000 1.940 651 A HA 0.147 4.466 4.320 -0.001 0.000 0.219 651 A C 2.049 179.709 177.584 0.127 0.000 1.176 651 A CA 1.628 53.722 52.037 0.095 0.000 0.631 651 A CB -0.784 18.310 19.000 0.157 0.000 0.814 651 A HN 0.496 nan 8.150 nan 0.000 0.446 652 L N -2.623 118.711 121.223 0.184 0.000 2.071 652 L HA 0.003 4.343 4.340 -0.001 0.000 0.201 652 L C 2.300 179.263 176.870 0.154 0.000 1.076 652 L CA 1.148 56.107 54.840 0.198 0.000 0.755 652 L CB -0.700 41.487 42.059 0.214 0.000 0.915 652 L HN 0.410 nan 8.230 nan 0.000 0.445 653 F N 1.386 121.348 119.950 0.019 0.000 2.076 653 F HA -0.398 4.128 4.527 -0.001 0.000 0.294 653 F C 2.580 178.401 175.800 0.035 0.000 1.078 653 F CA 1.967 59.974 58.000 0.012 0.000 1.247 653 F CB -0.439 38.513 39.000 -0.080 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.082 120.279 120.500 -0.231 0.000 2.070 654 R HA -0.179 4.161 4.340 -0.001 0.000 0.233 654 R C 2.274 178.489 176.300 -0.140 0.000 1.137 654 R CA 1.799 57.768 56.100 -0.218 0.000 0.945 654 R CB -0.732 29.541 30.300 -0.045 0.000 0.845 654 R HN 0.404 nan 8.270 nan 0.000 0.430 655 E N 0.295 120.473 120.200 -0.037 0.000 2.118 655 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 655 E C 1.474 178.072 176.600 -0.002 0.000 0.992 655 E CA 1.622 58.024 56.400 0.003 0.000 0.804 655 E CB 0.025 29.758 29.700 0.054 0.000 0.741 655 E HN 0.375 nan 8.360 nan 0.000 0.458 656 N N -0.415 118.292 118.700 0.012 0.000 2.135 656 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 656 N C 1.612 177.105 175.510 -0.027 0.000 1.027 656 N CA 0.493 53.593 53.050 0.085 0.000 0.849 656 N CB -0.048 38.583 38.487 0.240 0.000 1.002 656 N HN 0.071 nan 8.380 nan 0.000 0.425 657 L N 1.201 122.278 121.223 -0.244 0.000 2.450 657 L HA 0.054 4.393 4.340 -0.001 0.000 0.224 657 L C -0.104 176.599 176.870 -0.278 0.000 1.149 657 L CA 1.194 55.790 54.840 -0.406 0.000 0.816 657 L CB -0.696 40.962 42.059 -0.668 0.000 0.932 657 L HN 0.066 nan 8.230 nan 0.000 0.449 661 M N 0.892 120.300 119.600 -0.320 0.000 2.435 661 M HA 0.021 4.500 4.480 -0.001 0.000 0.262 661 M C 1.953 178.096 176.300 -0.261 0.000 1.065 661 M CA 1.632 56.718 55.300 -0.356 0.000 1.076 661 M CB -1.268 31.143 32.600 -0.315 0.000 1.403 661 M HN 0.568 nan 8.290 nan 0.000 0.454 662 A N -0.222 122.506 122.820 -0.152 0.000 1.943 662 A HA -0.046 4.274 4.320 -0.001 0.000 0.213 662 A C 2.006 179.584 177.584 -0.011 0.000 1.181 662 A CA 0.930 52.928 52.037 -0.064 0.000 0.653 662 A CB -0.357 18.629 19.000 -0.024 0.000 0.833 662 A HN 0.380 nan 8.150 nan 0.000 0.451 663 N N -0.165 118.533 118.700 -0.003 0.000 2.270 663 N HA -0.054 4.685 4.740 -0.001 0.000 0.181 663 N C 1.387 176.988 175.510 0.153 0.000 1.016 663 N CA 0.753 53.890 53.050 0.145 0.000 0.870 663 N CB -0.235 38.371 38.487 0.198 0.000 0.979 663 N HN 0.275 nan 8.380 nan 0.000 0.431 664 L N 1.470 122.644 121.223 -0.081 0.000 2.141 664 L HA 0.008 4.348 4.340 -0.001 0.000 0.209 664 L C 2.168 179.001 176.870 -0.062 0.000 1.094 664 L CA 1.191 55.916 54.840 -0.191 0.000 0.763 664 L CB -0.349 41.328 42.059 -0.636 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.006 119.475 120.500 -0.031 0.000 2.062 665 R HA -0.005 4.334 4.340 -0.001 0.000 0.229 665 R C 1.583 177.972 176.300 0.147 0.000 1.128 665 R CA 1.352 57.532 56.100 0.134 0.000 0.960 665 R CB -0.504 29.843 30.300 0.079 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.736 116.508 115.700 0.122 0.000 3.009 666 S HA 0.061 4.530 4.470 -0.001 0.000 0.243 666 S C 0.043 174.688 174.600 0.075 0.000 1.012 666 S CA 0.089 58.356 58.200 0.112 0.000 1.113 666 S CB 0.032 63.321 63.200 0.149 0.000 0.827 666 S HN 0.088 nan 8.310 nan 0.000 0.495 667 T N 1.200 115.808 114.554 0.089 0.000 2.906 667 T HA 0.270 4.619 4.350 -0.001 0.000 0.295 667 T C -0.919 173.831 174.700 0.084 0.000 1.061 667 T CA -0.663 61.462 62.100 0.042 0.000 1.000 667 T CB 1.426 70.350 68.868 0.093 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.907 122.901 119.070 -0.128 0.000 2.872 668 H HA 0.280 4.835 4.556 -0.001 0.000 0.273 668 H C -2.353 172.729 175.328 -0.409 0.000 1.205 668 H CA -2.548 53.353 56.048 -0.245 0.000 1.342 668 H CB 0.542 30.138 29.762 -0.277 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.014 nan 4.420 nan 0.000 0.267 669 P C -0.881 175.797 177.300 -1.037 0.000 1.205 669 P CA 0.502 63.205 63.100 -0.662 0.000 0.765 669 P CB 0.647 31.862 31.700 -0.809 0.000 0.828 670 H N 2.866 121.562 119.070 -0.623 0.000 2.658 670 H HA 0.340 4.896 4.556 -0.001 0.000 0.337 670 H C -0.474 174.652 175.328 -0.337 0.000 1.009 670 H CA -0.304 55.510 56.048 -0.389 0.000 1.231 670 H CB 0.627 30.249 29.762 -0.233 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.906 121.984 119.950 0.213 0.000 2.421 671 F HA 0.417 4.944 4.527 -0.001 0.000 0.337 671 F C 0.309 176.276 175.800 0.278 0.000 1.105 671 F CA -0.772 57.392 58.000 0.274 0.000 1.049 671 F CB 1.589 40.827 39.000 0.395 0.000 1.139 671 F HN 0.089 nan 8.300 nan 0.000 0.479 672 V N 3.977 124.125 119.914 0.390 0.000 2.524 672 V HA 0.519 4.639 4.120 -0.001 0.000 0.297 672 V C -0.732 175.448 176.094 0.143 0.000 1.035 672 V CA -0.897 61.544 62.300 0.235 0.000 0.867 672 V CB 1.660 33.563 31.823 0.134 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.545 123.079 120.500 0.056 0.000 2.288 673 R HA 0.554 4.894 4.340 -0.001 0.000 0.326 673 R C -0.794 175.480 176.300 -0.044 0.000 0.959 673 R CA -0.685 55.367 56.100 -0.080 0.000 0.834 673 R CB 1.129 31.236 30.300 -0.322 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.360 123.643 119.300 -0.028 0.000 2.369 674 C HA 0.575 5.034 4.460 -0.001 0.000 0.358 674 C C 0.748 175.701 174.990 -0.061 0.000 1.274 674 C CA -0.612 58.392 59.018 -0.023 0.000 1.935 674 C CB -0.255 27.487 27.740 0.004 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.222 123.737 120.570 -0.092 0.000 2.740 675 I HA 0.517 4.687 4.170 -0.001 0.000 0.303 675 I C -0.260 175.770 176.117 -0.145 0.000 1.044 675 I CA -0.314 60.913 61.300 -0.122 0.000 1.064 675 I CB 1.475 39.378 38.000 -0.160 0.000 1.249 675 I HN 0.577 nan 8.210 nan 0.000 0.433 676 I N 7.503 128.006 120.570 -0.111 0.000 2.420 676 I HA 0.361 4.530 4.170 -0.001 0.000 0.282 676 I C -1.914 174.162 176.117 -0.068 0.000 1.019 676 I CA -2.351 58.903 61.300 -0.077 0.000 1.130 676 I CB 2.059 40.067 38.000 0.014 0.000 1.262 676 I HN 0.379 nan 8.210 nan 0.000 0.454 677 P HA -0.106 nan 4.420 nan 0.000 0.211 677 P C -0.822 176.502 177.300 0.040 0.000 1.179 677 P CA 1.302 64.347 63.100 -0.092 0.000 0.910 677 P CB -0.073 31.579 31.700 -0.080 0.000 0.785 678 N N -2.433 116.362 118.700 0.158 0.000 2.287 678 N HA 0.193 4.933 4.740 -0.001 0.000 0.289 678 N C 0.165 175.739 175.510 0.106 0.000 1.066 678 N CA -0.781 52.336 53.050 0.112 0.000 0.841 678 N CB 1.041 39.594 38.487 0.109 0.000 1.599 678 N HN -0.186 nan 8.380 nan 0.000 0.476 679 E N -0.117 120.111 120.200 0.047 0.000 2.219 679 E HA -0.171 4.179 4.350 -0.001 0.000 0.198 679 E C 0.573 177.163 176.600 -0.016 0.000 0.998 679 E CA 1.624 58.037 56.400 0.022 0.000 0.818 679 E CB -0.102 29.601 29.700 0.005 0.000 0.741 679 E HN 0.837 nan 8.360 nan 0.000 0.477 683 P HA 0.403 nan 4.420 nan 0.000 0.272 683 P C 1.099 178.544 177.300 0.243 0.000 1.230 683 P CA 0.650 63.985 63.100 0.392 0.000 0.788 683 P CB 0.277 32.195 31.700 0.364 0.000 0.949 684 G N -0.406 108.351 108.800 -0.072 0.000 2.187 684 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.261 684 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.261 684 G C 0.264 175.029 174.900 -0.225 0.000 1.000 684 G CA 0.367 45.083 45.100 -0.641 0.000 0.718 684 G HN 0.899 nan 8.290 nan 0.000 0.519 685 A N -1.241 121.711 122.820 0.220 0.000 2.430 685 A HA 0.990 5.310 4.320 -0.001 0.000 0.300 685 A C -0.447 177.324 177.584 0.313 0.000 1.124 685 A CA -0.058 52.120 52.037 0.235 0.000 0.766 685 A CB 1.861 20.943 19.000 0.136 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.110 120.795 119.600 0.141 0.000 2.255 686 M HA 0.328 4.807 4.480 -0.001 0.000 0.275 686 M C -1.509 174.806 176.300 0.024 0.000 1.050 686 M CA 0.084 55.424 55.300 0.068 0.000 0.978 686 M CB 1.713 34.349 32.600 0.061 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.101 123.306 120.200 0.008 0.000 2.331 687 E HA 0.202 4.551 4.350 -0.001 0.000 0.272 687 E C -0.030 176.607 176.600 0.061 0.000 1.036 687 E CA -0.349 56.032 56.400 -0.032 0.000 0.864 687 E CB 0.974 30.655 29.700 -0.032 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.944 120.969 119.070 -0.074 0.000 2.312 688 H HA -0.155 4.401 4.556 -0.001 0.000 0.299 688 H C 1.948 177.249 175.328 -0.046 0.000 1.051 688 H CA 0.979 56.973 56.048 -0.090 0.000 1.227 688 H CB 0.192 29.899 29.762 -0.091 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.336 121.625 120.200 0.148 0.000 2.273 689 E HA -0.205 4.144 4.350 -0.001 0.000 0.198 689 E C 2.205 178.896 176.600 0.150 0.000 1.002 689 E CA 0.878 57.350 56.400 0.120 0.000 0.828 689 E CB -0.114 29.643 29.700 0.095 0.000 0.747 689 E HN 0.377 nan 8.360 nan 0.000 0.491 690 L N 0.072 121.343 121.223 0.080 0.000 2.044 690 L HA -0.130 4.210 4.340 -0.001 0.000 0.205 690 L C 2.319 179.221 176.870 0.054 0.000 1.075 690 L CA 1.065 55.933 54.840 0.047 0.000 0.747 690 L CB -0.132 41.931 42.059 0.006 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.011 119.936 119.914 0.019 0.000 2.427 691 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 691 V C 2.553 178.632 176.094 -0.024 0.000 1.051 691 V CA 1.767 64.048 62.300 -0.031 0.000 1.048 691 V CB -0.601 31.173 31.823 -0.082 0.000 0.666 691 V HN 0.424 nan 8.190 nan 0.000 0.456 692 L N -0.732 120.490 121.223 -0.001 0.000 2.013 692 L HA -0.262 4.077 4.340 -0.001 0.000 0.212 692 L C 2.584 179.419 176.870 -0.058 0.000 1.073 692 L CA 2.001 56.824 54.840 -0.029 0.000 0.753 692 L CB -0.685 41.375 42.059 0.002 0.000 0.890 692 L HN 0.390 nan 8.230 nan 0.000 0.432 693 H N -0.092 118.952 119.070 -0.043 0.000 2.251 693 H HA -0.236 4.320 4.556 -0.001 0.000 0.294 693 H C 2.422 177.714 175.328 -0.060 0.000 1.078 693 H CA 2.229 58.250 56.048 -0.045 0.000 1.246 693 H CB -0.122 29.617 29.762 -0.039 0.000 1.358 693 H HN 0.348 nan 8.280 nan 0.000 0.488 694 Q N -0.341 119.509 119.800 0.084 0.000 2.112 694 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 694 Q C 2.259 178.216 176.000 -0.073 0.000 0.987 694 Q CA 1.498 57.300 55.803 -0.001 0.000 0.858 694 Q CB -0.352 28.370 28.738 -0.026 0.000 0.905 694 Q HN 0.319 nan 8.270 nan 0.000 0.420 695 L N 0.934 122.101 121.223 -0.093 0.000 2.127 695 L HA -0.190 4.149 4.340 -0.001 0.000 0.211 695 L C 2.400 179.191 176.870 -0.132 0.000 1.089 695 L CA 1.761 56.522 54.840 -0.132 0.000 0.757 695 L CB -0.421 41.566 42.059 -0.121 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.081 118.347 120.500 -0.120 0.000 2.075 696 R HA -0.029 4.311 4.340 -0.001 0.000 0.226 696 R C 2.136 178.399 176.300 -0.062 0.000 1.114 696 R CA 1.501 57.537 56.100 -0.107 0.000 0.972 696 R CB -0.861 29.346 30.300 -0.155 0.000 0.869 696 R HN 0.327 nan 8.270 nan 0.000 0.437 697 C N 0.677 119.932 119.300 -0.075 0.000 2.539 697 C HA 0.104 4.563 4.460 -0.001 0.000 0.268 697 C C 1.964 176.960 174.990 0.010 0.000 1.395 697 C CA 0.033 59.024 59.018 -0.046 0.000 1.757 697 C CB -1.448 26.284 27.740 -0.013 0.000 1.851 697 C HN 0.526 nan 8.230 nan 0.000 0.545 698 N N 0.209 118.850 118.700 -0.099 0.000 2.173 698 N HA 0.103 4.843 4.740 -0.001 0.000 0.184 698 N C 1.667 176.959 175.510 -0.364 0.000 1.025 698 N CA 1.291 54.204 53.050 -0.227 0.000 0.852 698 N CB 0.026 38.300 38.487 -0.354 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.731 107.858 108.800 -0.352 0.000 2.255 699 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.196 699 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.196 699 G C 0.854 175.601 174.900 -0.254 0.000 0.998 699 G CA 0.173 45.038 45.100 -0.391 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.754 120.431 119.914 -0.395 0.000 2.287 700 V HA -0.113 4.007 4.120 -0.001 0.000 0.248 700 V C 2.697 178.797 176.094 0.011 0.000 1.053 700 V CA 2.319 64.534 62.300 -0.140 0.000 1.027 700 V CB -0.307 31.358 31.823 -0.263 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.670 120.513 121.223 -0.066 0.000 2.376 701 L HA -0.012 4.327 4.340 -0.001 0.000 0.219 701 L C 2.259 179.114 176.870 -0.025 0.000 1.133 701 L CA 1.535 56.347 54.840 -0.046 0.000 0.816 701 L CB -0.790 41.229 42.059 -0.067 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.123 119.065 120.200 -0.021 0.000 2.318 702 E HA 0.008 4.357 4.350 -0.001 0.000 0.193 702 E C 1.961 178.574 176.600 0.021 0.000 0.998 702 E CA 0.693 57.084 56.400 -0.016 0.000 0.859 702 E CB 0.239 29.906 29.700 -0.055 0.000 0.812 702 E HN 0.482 nan 8.360 nan 0.000 0.492 703 G N 0.728 109.594 108.800 0.109 0.000 2.464 703 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.217 703 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.217 703 G C 1.484 176.390 174.900 0.010 0.000 1.138 703 G CA 0.039 45.222 45.100 0.138 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.327 120.905 120.570 0.012 0.000 2.286 704 I HA 0.114 4.283 4.170 -0.001 0.000 0.245 704 I C 2.695 178.773 176.117 -0.065 0.000 1.104 704 I CA 0.514 61.797 61.300 -0.029 0.000 1.397 704 I CB -0.330 37.654 38.000 -0.026 0.000 1.072 704 I HN -0.029 nan 8.210 nan 0.000 0.417 705 R N 0.439 120.902 120.500 -0.061 0.000 2.103 705 R HA -0.135 4.205 4.340 -0.001 0.000 0.234 705 R C 2.262 178.494 176.300 -0.115 0.000 1.132 705 R CA 1.843 57.902 56.100 -0.068 0.000 0.925 705 R CB -0.612 29.659 30.300 -0.047 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.320 120.130 120.570 -0.200 0.000 2.423 706 I HA -0.382 3.787 4.170 -0.001 0.000 0.254 706 I C 2.188 178.120 176.117 -0.308 0.000 1.151 706 I CA 0.827 61.878 61.300 -0.414 0.000 1.421 706 I CB -0.222 37.369 38.000 -0.682 0.000 1.079 706 I HN 0.370 nan 8.210 nan 0.000 0.431 707 C N 0.581 119.768 119.300 -0.189 0.000 2.500 707 C HA -0.110 4.350 4.460 -0.001 0.000 0.279 707 C C 2.814 177.751 174.990 -0.089 0.000 1.288 707 C CA 0.679 59.625 59.018 -0.121 0.000 1.710 707 C CB -0.886 26.802 27.740 -0.087 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.869 121.310 120.500 -0.099 0.000 2.369 708 R HA -0.008 4.331 4.340 -0.001 0.000 0.200 708 R C 0.657 176.894 176.300 -0.105 0.000 1.046 708 R CA 0.976 57.011 56.100 -0.108 0.000 1.057 708 R CB -0.399 29.836 30.300 -0.109 0.000 0.888 708 R HN 0.417 nan 8.270 nan 0.000 0.474 709 K N 0.745 121.102 120.400 -0.071 0.000 3.101 709 K HA 0.229 4.549 4.320 -0.001 0.000 0.229 709 K C -0.265 176.329 176.600 -0.010 0.000 1.232 709 K CA -0.081 56.209 56.287 0.005 0.000 1.210 709 K CB 1.321 33.883 32.500 0.103 0.000 1.284 709 K HN 0.473 nan 8.250 nan 0.000 0.448 710 G N -0.024 108.618 108.800 -0.263 0.000 2.725 710 G HA2 0.180 4.140 3.960 -0.001 0.000 0.098 710 G HA3 0.180 4.140 3.960 -0.001 0.000 0.098 710 G C -1.560 172.929 174.900 -0.684 0.000 1.188 710 G CA -0.661 44.172 45.100 -0.446 0.000 1.237 710 G HN 0.107 nan 8.290 nan 0.000 0.596 711 F N 2.801 122.681 119.950 -0.117 0.000 2.363 711 F HA 0.445 4.972 4.527 -0.001 0.000 0.366 711 F C -1.527 174.290 175.800 0.028 0.000 1.083 711 F CA -1.592 56.399 58.000 -0.015 0.000 1.176 711 F CB 2.075 41.141 39.000 0.110 0.000 1.432 711 F HN 0.084 nan 8.300 nan 0.000 0.482 712 P HA -0.135 nan 4.420 nan 0.000 0.203 712 P C 0.107 177.378 177.300 -0.049 0.000 0.967 712 P CA 0.979 64.052 63.100 -0.045 0.000 0.946 712 P CB -0.268 31.355 31.700 -0.129 0.000 0.690 713 S N 1.278 116.933 115.700 -0.077 0.000 2.544 713 S HA 0.128 4.598 4.470 -0.001 0.000 0.290 713 S C 0.340 174.902 174.600 -0.063 0.000 1.276 713 S CA -0.233 57.908 58.200 -0.098 0.000 1.075 713 S CB -0.517 62.617 63.200 -0.110 0.000 0.849 713 S HN 0.180 nan 8.310 nan 0.000 0.494 714 R N 1.348 121.736 120.500 -0.187 0.000 2.473 714 R HA 0.526 4.865 4.340 -0.001 0.000 0.303 714 R C -1.672 174.495 176.300 -0.221 0.000 1.002 714 R CA -0.821 55.027 56.100 -0.421 0.000 0.884 714 R CB 0.788 30.504 30.300 -0.973 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.476 124.324 119.914 -0.110 0.000 2.465 715 V HA 0.221 4.340 4.120 -0.001 0.000 0.279 715 V C 0.368 176.360 176.094 -0.171 0.000 1.045 715 V CA -0.839 61.465 62.300 0.006 0.000 0.938 715 V CB 1.505 33.481 31.823 0.255 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.433 125.625 121.223 -0.051 0.000 2.380 716 L HA 0.258 4.598 4.340 -0.001 0.000 0.273 716 L C 0.863 177.776 176.870 0.071 0.000 1.138 716 L CA 0.233 55.042 54.840 -0.051 0.000 0.832 716 L CB 0.580 42.660 42.059 0.034 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.306 123.672 120.300 0.110 0.000 2.062 717 Y HA -0.378 4.172 4.550 -0.001 0.000 0.276 717 Y C 2.228 178.235 175.900 0.178 0.000 1.189 717 Y CA 2.101 60.290 58.100 0.148 0.000 1.130 717 Y CB -0.862 37.654 38.460 0.094 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.166 122.812 122.820 0.264 0.000 1.898 718 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 718 A C 1.814 179.467 177.584 0.114 0.000 1.181 718 A CA 1.914 54.033 52.037 0.137 0.000 0.620 718 A CB -0.931 18.119 19.000 0.084 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.797 118.683 120.400 0.134 0.000 2.311 719 D HA -0.096 4.543 4.640 -0.001 0.000 0.212 719 D C 1.295 177.688 176.300 0.156 0.000 0.972 719 D CA 0.988 55.048 54.000 0.100 0.000 0.887 719 D CB -0.156 40.703 40.800 0.098 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.463 120.478 119.950 0.109 0.000 2.446 720 F HA 0.192 4.718 4.527 -0.001 0.000 0.292 720 F C 1.910 177.827 175.800 0.195 0.000 1.096 720 F CA 0.564 58.674 58.000 0.183 0.000 1.438 720 F CB 0.208 39.312 39.000 0.172 0.000 1.107 720 F HN -0.305 nan 8.300 nan 0.000 0.546 721 K N 0.406 120.897 120.400 0.151 0.000 1.963 721 K HA -0.269 4.051 4.320 -0.001 0.000 0.216 721 K C 2.170 178.701 176.600 -0.115 0.000 1.045 721 K CA 1.895 58.178 56.287 -0.008 0.000 0.954 721 K CB -0.528 31.919 32.500 -0.088 0.000 0.732 721 K HN 0.297 nan 8.250 nan 0.000 0.442 722 Q N 0.705 120.435 119.800 -0.116 0.000 2.045 722 Q HA -0.309 4.031 4.340 -0.001 0.000 0.215 722 Q C 2.056 177.947 176.000 -0.183 0.000 1.026 722 Q CA 2.291 58.019 55.803 -0.124 0.000 0.885 722 Q CB -0.225 28.456 28.738 -0.095 0.000 0.984 722 Q HN 0.176 nan 8.270 nan 0.000 0.414 723 R N -1.391 118.949 120.500 -0.266 0.000 2.152 723 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 723 R C 0.927 176.774 176.300 -0.755 0.000 1.117 723 R CA 1.598 57.382 56.100 -0.527 0.000 0.981 723 R CB 0.096 29.986 30.300 -0.685 0.000 0.870 723 R HN 0.525 nan 8.270 nan 0.000 0.451 724 Y N -1.800 118.280 120.300 -0.368 0.000 2.527 724 Y HA 0.233 4.783 4.550 -0.001 0.000 0.247 724 Y C 1.821 177.590 175.900 -0.218 0.000 1.138 724 Y CA -0.510 57.374 58.100 -0.360 0.000 1.228 724 Y CB 0.123 38.202 38.460 -0.636 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.691 121.167 120.500 -0.040 0.000 2.159 725 R HA -0.211 4.129 4.340 -0.001 0.000 0.252 725 R C 1.579 177.911 176.300 0.053 0.000 1.144 725 R CA 2.279 58.400 56.100 0.034 0.000 0.961 725 R CB -0.604 29.735 30.300 0.064 0.000 0.877 725 R HN 0.212 nan 8.270 nan 0.000 0.444 726 V N 1.368 121.292 119.914 0.015 0.000 2.764 726 V HA -0.254 3.865 4.120 -0.001 0.000 0.261 726 V C 2.167 178.275 176.094 0.023 0.000 1.108 726 V CA 1.520 63.826 62.300 0.010 0.000 1.129 726 V CB -0.470 31.333 31.823 -0.033 0.000 0.701 726 V HN 0.333 nan 8.190 nan 0.000 0.495 727 L N -0.618 120.630 121.223 0.041 0.000 2.179 727 L HA 0.024 4.364 4.340 -0.001 0.000 0.208 727 L C 1.633 178.537 176.870 0.057 0.000 1.096 727 L CA 1.474 56.346 54.840 0.053 0.000 0.779 727 L CB -0.117 41.987 42.059 0.074 0.000 0.922 727 L HN 0.370 nan 8.230 nan 0.000 0.443 728 N N -1.287 117.454 118.700 0.067 0.000 2.595 728 N HA 0.149 4.888 4.740 -0.001 0.000 0.291 728 N C 1.101 176.656 175.510 0.075 0.000 1.706 728 N CA 0.545 53.638 53.050 0.071 0.000 0.867 728 N CB 0.689 39.226 38.487 0.083 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.744 123.604 122.820 0.067 0.000 1.836 729 A HA -0.418 3.901 4.320 -0.001 0.000 0.269 729 A C 2.214 179.849 177.584 0.086 0.000 2.597 729 A CA 3.120 55.200 52.037 0.071 0.000 0.810 729 A CB -1.382 17.645 19.000 0.045 0.000 0.833 729 A HN 0.609 nan 8.150 nan 0.000 0.542 730 S N -0.412 115.326 115.700 0.064 0.000 2.348 730 S HA 0.098 4.567 4.470 -0.001 0.000 0.221 730 S C 2.101 176.750 174.600 0.081 0.000 1.033 730 S CA 1.842 60.074 58.200 0.054 0.000 1.010 730 S CB -0.916 62.306 63.200 0.037 0.000 0.891 730 S HN 1.506 nan 8.310 nan 0.000 0.442 731 A N 0.870 123.742 122.820 0.086 0.000 2.072 731 A HA 0.387 4.707 4.320 -0.001 0.000 0.216 731 A C 2.127 179.789 177.584 0.128 0.000 1.156 731 A CA 0.541 52.636 52.037 0.098 0.000 0.701 731 A CB -0.539 18.513 19.000 0.088 0.000 0.816 731 A HN 0.559 nan 8.150 nan 0.000 0.458 732 I N -0.016 120.638 120.570 0.140 0.000 2.585 732 I HA -0.039 4.130 4.170 -0.001 0.000 0.254 732 I C -0.736 175.502 176.117 0.200 0.000 1.129 732 I CA 0.439 61.835 61.300 0.159 0.000 1.455 732 I CB -0.745 37.337 38.000 0.137 0.000 1.111 732 I HN 0.171 nan 8.210 nan 0.000 0.433 733 P HA -0.136 nan 4.420 nan 0.000 0.216 733 P C 1.282 179.068 177.300 0.810 0.000 1.153 733 P CA 1.462 64.936 63.100 0.623 0.000 0.844 733 P CB -0.035 31.963 31.700 0.497 0.000 0.787 734 E N -0.287 120.138 120.200 0.375 0.000 2.085 734 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 734 E C 2.355 179.113 176.600 0.263 0.000 0.994 734 E CA 1.404 57.965 56.400 0.268 0.000 0.801 734 E CB -0.953 28.822 29.700 0.124 0.000 0.743 734 E HN 0.260 nan 8.360 nan 0.000 0.453 735 G N 1.113 110.032 108.800 0.198 0.000 2.421 735 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.216 735 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.216 735 G C 1.437 176.393 174.900 0.093 0.000 1.171 735 G CA 0.642 45.818 45.100 0.127 0.000 0.775 735 G HN 0.196 nan 8.290 nan 0.000 0.543 736 Q N -0.633 119.204 119.800 0.062 0.000 2.119 736 Q HA -0.010 4.330 4.340 -0.001 0.000 0.201 736 Q C 2.312 178.191 176.000 -0.202 0.000 0.972 736 Q CA 1.056 56.788 55.803 -0.118 0.000 0.847 736 Q CB -0.192 28.358 28.738 -0.314 0.000 0.903 736 Q HN 0.598 nan 8.270 nan 0.000 0.433 737 F N -0.303 119.671 119.950 0.041 0.000 2.234 737 F HA -0.076 4.451 4.527 -0.001 0.000 0.296 737 F C 2.189 177.999 175.800 0.017 0.000 1.089 737 F CA 0.595 58.612 58.000 0.028 0.000 1.343 737 F CB -0.129 38.885 39.000 0.023 0.000 1.040 737 F HN 0.042 nan 8.300 nan 0.000 0.498 738 M N -0.727 118.998 119.600 0.208 0.000 2.254 738 M HA -0.003 4.477 4.480 -0.001 0.000 0.265 738 M C -0.278 176.052 176.300 0.049 0.000 1.066 738 M CA 1.215 56.581 55.300 0.111 0.000 1.123 738 M CB -0.872 31.785 32.600 0.095 0.000 1.388 738 M HN 0.014 nan 8.290 nan 0.000 0.425 739 D N -0.843 119.570 120.400 0.023 0.000 2.613 739 D HA 0.170 4.809 4.640 -0.001 0.000 0.230 739 D C 0.499 176.760 176.300 -0.065 0.000 1.365 739 D CA -0.005 53.979 54.000 -0.026 0.000 0.976 739 D CB 1.149 41.914 40.800 -0.057 0.000 1.415 739 D HN -0.083 nan 8.370 nan 0.000 0.589 740 S N 3.625 119.291 115.700 -0.056 0.000 2.409 740 S HA -0.297 4.172 4.470 -0.001 0.000 0.237 740 S C 1.520 176.033 174.600 -0.144 0.000 1.060 740 S CA 2.449 60.613 58.200 -0.061 0.000 1.052 740 S CB 0.041 63.232 63.200 -0.016 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.257 120.482 120.400 -0.292 0.000 2.161 741 K HA 0.178 4.498 4.320 -0.001 0.000 0.205 741 K C 2.241 178.526 176.600 -0.524 0.000 1.035 741 K CA 0.591 56.413 56.287 -0.774 0.000 0.970 741 K CB -0.550 31.541 32.500 -0.682 0.000 0.866 741 K HN 0.167 nan 8.250 nan 0.000 0.461 742 K N 0.569 120.800 120.400 -0.282 0.000 2.228 742 K HA -0.211 4.108 4.320 -0.001 0.000 0.205 742 K C 1.827 178.377 176.600 -0.083 0.000 1.045 742 K CA 1.336 57.523 56.287 -0.166 0.000 0.931 742 K CB -0.257 32.182 32.500 -0.102 0.000 0.727 742 K HN 0.358 nan 8.250 nan 0.000 0.458 743 A N 0.760 123.545 122.820 -0.059 0.000 1.834 743 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 743 A C 2.130 179.787 177.584 0.122 0.000 1.203 743 A CA 2.285 54.344 52.037 0.036 0.000 0.621 743 A CB -1.022 17.990 19.000 0.021 0.000 0.841 743 A HN 0.418 nan 8.150 nan 0.000 0.446 744 S N 0.013 115.825 115.700 0.187 0.000 2.407 744 S HA -0.232 4.237 4.470 -0.001 0.000 0.235 744 S C 1.833 176.643 174.600 0.350 0.000 1.036 744 S CA 1.478 59.915 58.200 0.396 0.000 1.013 744 S CB -0.431 63.095 63.200 0.543 0.000 0.820 744 S HN 0.582 nan 8.310 nan 0.000 0.476 745 E N 1.246 121.585 120.200 0.231 0.000 2.001 745 E HA -0.166 4.183 4.350 -0.001 0.000 0.195 745 E C 2.178 178.881 176.600 0.171 0.000 1.002 745 E CA 1.203 57.705 56.400 0.169 0.000 0.819 745 E CB -0.258 29.354 29.700 -0.147 0.000 0.769 745 E HN 0.282 nan 8.360 nan 0.000 0.454 746 K N 0.960 121.417 120.400 0.095 0.000 2.089 746 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 746 K C 2.271 178.967 176.600 0.159 0.000 1.048 746 K CA 1.016 57.366 56.287 0.106 0.000 0.926 746 K CB -0.592 31.956 32.500 0.079 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.108 121.449 121.223 0.198 0.000 1.990 747 L HA -0.215 4.125 4.340 -0.001 0.000 0.213 747 L C 1.757 178.748 176.870 0.202 0.000 1.072 747 L CA 1.390 56.357 54.840 0.211 0.000 0.755 747 L CB -0.235 41.983 42.059 0.266 0.000 0.889 747 L HN 0.182 nan 8.230 nan 0.000 0.432 748 L N 0.059 121.415 121.223 0.222 0.000 2.651 748 L HA -0.151 4.189 4.340 -0.001 0.000 0.236 748 L C 2.365 179.367 176.870 0.218 0.000 1.173 748 L CA 1.055 55.971 54.840 0.127 0.000 0.843 748 L CB -1.168 40.864 42.059 -0.045 0.000 0.964 748 L HN 0.364 nan 8.230 nan 0.000 0.454 749 G N -0.386 108.565 108.800 0.252 0.000 2.513 749 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.219 749 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.219 749 G C 0.969 176.046 174.900 0.294 0.000 1.160 749 G CA 0.722 45.983 45.100 0.268 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.669 107.256 108.800 0.208 0.000 2.547 750 G HA2 0.619 4.579 3.960 -0.001 0.000 0.291 750 G HA3 0.619 4.579 3.960 -0.001 0.000 0.291 750 G C 0.182 175.187 174.900 0.175 0.000 1.211 750 G CA 0.208 45.416 45.100 0.180 0.000 0.950 750 G HN 1.476 nan 8.290 nan 0.000 0.504 751 G N -0.681 108.211 108.800 0.153 0.000 2.770 751 G HA2 0.164 4.123 3.960 -0.001 0.000 0.686 751 G HA3 0.164 4.123 3.960 -0.001 0.000 0.686 751 G C -0.251 174.756 174.900 0.179 0.000 1.180 751 G CA 0.214 45.389 45.100 0.127 0.000 0.767 751 G HN 1.139 nan 8.290 nan 0.000 0.646 752 D N -0.087 120.393 120.400 0.132 0.000 2.870 752 D HA 0.339 4.978 4.640 -0.001 0.000 0.241 752 D C 1.084 177.475 176.300 0.153 0.000 1.234 752 D CA 0.302 54.388 54.000 0.143 0.000 0.844 752 D CB -0.039 40.819 40.800 0.097 0.000 1.051 752 D HN 0.751 nan 8.370 nan 0.000 0.469 753 V N -1.793 118.229 119.914 0.180 0.000 2.644 753 V HA 0.291 4.410 4.120 -0.001 0.000 0.295 753 V C 0.737 176.987 176.094 0.259 0.000 1.053 753 V CA -1.125 61.260 62.300 0.142 0.000 0.987 753 V CB 1.455 33.285 31.823 0.011 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.655 122.190 120.400 0.225 0.000 2.349 754 D HA 0.056 4.696 4.640 -0.001 0.000 0.266 754 D C 0.469 176.972 176.300 0.338 0.000 1.293 754 D CA 0.224 54.377 54.000 0.255 0.000 0.926 754 D CB 0.469 41.367 40.800 0.164 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.077 120.259 119.070 0.187 0.000 2.556 755 H HA 0.012 4.567 4.556 -0.001 0.000 0.273 755 H C 1.476 176.530 175.328 -0.457 0.000 1.030 755 H CA 0.410 56.487 56.048 0.049 0.000 1.156 755 H CB 0.336 30.189 29.762 0.152 0.000 1.326 755 H HN 0.258 nan 8.280 nan 0.000 0.609 756 T N -0.224 114.245 114.554 -0.142 0.000 2.914 756 T HA -0.092 4.257 4.350 -0.001 0.000 0.240 756 T C 1.791 176.405 174.700 -0.143 0.000 1.025 756 T CA 0.246 62.261 62.100 -0.142 0.000 1.198 756 T CB 0.032 68.899 68.868 -0.002 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.213 121.043 119.800 0.049 0.000 2.480 757 Q HA -0.145 4.195 4.340 -0.001 0.000 0.217 757 Q C 0.262 176.445 176.000 0.305 0.000 0.993 757 Q CA 1.293 57.222 55.803 0.210 0.000 0.908 757 Q CB -0.872 28.008 28.738 0.236 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.471 117.773 120.300 -0.093 0.000 2.686 758 Y HA 0.805 5.355 4.550 -0.001 0.000 0.330 758 Y C -0.558 174.954 175.900 -0.646 0.000 1.082 758 Y CA -2.004 55.803 58.100 -0.488 0.000 1.158 758 Y CB 1.044 38.930 38.460 -0.956 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.762 123.142 122.820 -0.734 0.000 2.565 759 A HA 0.645 4.965 4.320 -0.001 0.000 0.298 759 A C -2.089 175.208 177.584 -0.479 0.000 1.062 759 A CA -0.791 50.879 52.037 -0.613 0.000 0.723 759 A CB 0.145 18.697 19.000 -0.747 0.000 1.282 759 A HN 0.561 nan 8.150 nan 0.000 0.400 760 F N 0.977 120.827 119.950 -0.166 0.000 2.450 760 F HA 0.890 5.416 4.527 -0.001 0.000 0.328 760 F C 1.093 176.888 175.800 -0.008 0.000 1.068 760 F CA -0.039 57.943 58.000 -0.030 0.000 1.007 760 F CB 2.080 41.130 39.000 0.084 0.000 1.251 760 F HN 0.971 nan 8.300 nan 0.000 0.492 761 G N -1.577 107.419 108.800 0.328 0.000 2.601 761 G HA2 0.283 4.243 3.960 -0.001 0.000 0.291 761 G HA3 0.283 4.243 3.960 -0.001 0.000 0.291 761 G C -0.345 174.750 174.900 0.325 0.000 1.456 761 G CA -0.687 44.526 45.100 0.189 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.785 118.391 119.070 0.177 0.000 2.456 762 H HA -0.161 4.395 4.556 -0.001 0.000 0.288 762 H C 1.172 176.638 175.328 0.230 0.000 1.130 762 H CA 1.556 57.705 56.048 0.167 0.000 1.173 762 H CB -0.237 29.578 29.762 0.088 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.690 122.221 119.950 -0.699 0.000 2.480 766 F HA 0.906 5.432 4.527 -0.001 0.000 0.329 766 F C -0.276 175.207 175.800 -0.528 0.000 1.091 766 F CA -0.589 57.128 58.000 -0.471 0.000 0.972 766 F CB 1.710 40.430 39.000 -0.466 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N -0.380 108.387 108.800 -0.055 0.000 2.143 770 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.175 770 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.175 770 G C 0.609 175.459 174.900 -0.083 0.000 1.004 770 G CA 0.474 45.517 45.100 -0.096 0.000 0.671 770 G HN 1.437 nan 8.290 nan 0.000 0.512 771 L N -0.317 120.786 121.223 -0.200 0.000 2.185 771 L HA 0.507 4.847 4.340 -0.001 0.000 0.198 771 L C 2.593 179.291 176.870 -0.287 0.000 1.079 771 L CA 1.419 56.172 54.840 -0.145 0.000 0.780 771 L CB -0.391 41.729 42.059 0.101 0.000 0.955 771 L HN 0.173 nan 8.230 nan 0.000 0.462 772 L N 0.359 121.167 121.223 -0.692 0.000 2.129 772 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 772 L C 2.385 179.149 176.870 -0.176 0.000 1.087 772 L CA 2.011 56.478 54.840 -0.621 0.000 0.757 772 L CB -1.561 39.892 42.059 -1.009 0.000 0.896 772 L HN 0.422 nan 8.230 nan 0.000 0.434 773 G N -1.338 107.393 108.800 -0.114 0.000 2.418 773 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 773 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 773 G C 1.682 176.621 174.900 0.065 0.000 1.158 773 G CA 0.775 45.913 45.100 0.064 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.271 120.961 121.223 0.014 0.000 2.027 774 L HA 0.044 4.383 4.340 -0.001 0.000 0.206 774 L C 2.723 179.615 176.870 0.036 0.000 1.074 774 L CA 0.883 55.744 54.840 0.035 0.000 0.745 774 L CB -0.421 41.652 42.059 0.024 0.000 0.898 774 L HN 0.098 nan 8.230 nan 0.000 0.433 775 L N -0.542 120.686 121.223 0.008 0.000 1.951 775 L HA -0.296 4.043 4.340 -0.001 0.000 0.222 775 L C 2.603 179.514 176.870 0.068 0.000 1.078 775 L CA 1.770 56.629 54.840 0.030 0.000 0.778 775 L CB -1.297 40.764 42.059 0.004 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.376 119.889 120.200 0.108 0.000 2.136 776 E HA -0.324 4.026 4.350 -0.001 0.000 0.208 776 E C 2.107 178.751 176.600 0.074 0.000 1.035 776 E CA 1.741 58.198 56.400 0.096 0.000 0.838 776 E CB -0.318 29.450 29.700 0.114 0.000 0.748 776 E HN 0.660 nan 8.360 nan 0.000 0.459 777 E N 0.168 120.418 120.200 0.082 0.000 2.049 777 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 777 E C 2.228 178.854 176.600 0.042 0.000 1.007 777 E CA 1.604 58.044 56.400 0.068 0.000 0.809 777 E CB -0.165 29.578 29.700 0.071 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.245 119.870 119.600 0.042 0.000 2.108 778 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 778 M C 2.715 179.031 176.300 0.027 0.000 1.066 778 M CA 1.776 57.096 55.300 0.032 0.000 1.107 778 M CB -0.384 32.237 32.600 0.036 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.636 121.155 120.500 0.032 0.000 2.083 779 R HA -0.193 4.147 4.340 -0.001 0.000 0.237 779 R C 1.548 177.856 176.300 0.013 0.000 1.137 779 R CA 2.123 58.237 56.100 0.022 0.000 0.951 779 R CB -0.358 29.956 30.300 0.023 0.000 0.851 779 R HN 0.282 nan 8.270 nan 0.000 0.434 780 D N 0.869 121.280 120.400 0.019 0.000 2.126 780 D HA -0.138 4.502 4.640 -0.001 0.000 0.190 780 D C 0.272 176.569 176.300 -0.004 0.000 1.001 780 D CA 1.290 55.295 54.000 0.009 0.000 0.841 780 D CB -0.576 40.232 40.800 0.013 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.232 123.042 122.820 -0.016 0.000 1.892 784 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 784 A C 2.071 179.646 177.584 -0.014 0.000 1.188 784 A CA 2.404 54.430 52.037 -0.019 0.000 0.631 784 A CB -0.343 18.644 19.000 -0.021 0.000 0.822 784 A HN 0.390 nan 8.150 nan 0.000 0.447 785 E N -0.004 120.190 120.200 -0.011 0.000 2.033 785 E HA -0.202 4.148 4.350 -0.001 0.000 0.199 785 E C 1.749 178.344 176.600 -0.009 0.000 1.011 785 E CA 1.366 57.762 56.400 -0.008 0.000 0.815 785 E CB -0.458 29.240 29.700 -0.004 0.000 0.755 785 E HN 0.610 nan 8.360 nan 0.000 0.451 786 I N 0.410 120.974 120.570 -0.010 0.000 2.188 786 I HA -0.416 3.753 4.170 -0.001 0.000 0.246 786 I C 2.290 178.400 176.117 -0.012 0.000 1.033 786 I CA 1.389 62.682 61.300 -0.011 0.000 1.307 786 I CB -0.440 37.552 38.000 -0.014 0.000 1.005 786 I HN 0.234 nan 8.210 nan 0.000 0.421 787 I N 0.295 120.857 120.570 -0.013 0.000 2.068 787 I HA -0.408 3.761 4.170 -0.001 0.000 0.238 787 I C 2.535 178.646 176.117 -0.009 0.000 1.046 787 I CA 2.348 63.640 61.300 -0.013 0.000 1.306 787 I CB -0.595 37.397 38.000 -0.012 0.000 1.023 787 I HN 0.309 nan 8.210 nan 0.000 0.399 788 T N 0.813 115.363 114.554 -0.007 0.000 2.684 788 T HA -0.321 4.028 4.350 -0.001 0.000 0.267 788 T C 1.800 176.499 174.700 -0.002 0.000 1.032 788 T CA 1.876 63.974 62.100 -0.003 0.000 1.155 788 T CB -0.438 68.428 68.868 -0.003 0.000 0.857 788 T HN 0.585 nan 8.240 nan 0.000 0.457 789 A N 0.560 123.378 122.820 -0.003 0.000 1.929 789 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 789 A C 2.528 180.109 177.584 -0.005 0.000 1.176 789 A CA 1.815 53.850 52.037 -0.002 0.000 0.628 789 A CB -0.848 18.151 19.000 -0.003 0.000 0.816 789 A HN 0.474 nan 8.150 nan 0.000 0.444 790 T N -0.096 114.452 114.554 -0.010 0.000 3.055 790 T HA -0.058 4.292 4.350 -0.001 0.000 0.265 790 T C 1.949 176.642 174.700 -0.013 0.000 1.111 790 T CA 1.173 63.262 62.100 -0.017 0.000 1.118 790 T CB -0.092 68.762 68.868 -0.024 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.933 120.730 119.800 -0.005 0.000 1.969 791 Q HA 0.005 4.345 4.340 -0.001 0.000 0.198 791 Q C 2.837 178.845 176.000 0.014 0.000 0.978 791 Q CA 1.255 57.059 55.803 0.003 0.000 0.830 791 Q CB -0.439 28.302 28.738 0.004 0.000 0.896 791 Q HN 0.497 nan 8.270 nan 0.000 0.431 792 A N 1.936 124.765 122.820 0.014 0.000 1.887 792 A HA -0.391 3.929 4.320 -0.001 0.000 0.225 792 A C 2.050 179.656 177.584 0.037 0.000 1.464 792 A CA 2.697 54.747 52.037 0.022 0.000 0.717 792 A CB -0.979 18.030 19.000 0.015 0.000 0.848 792 A HN 0.319 nan 8.150 nan 0.000 0.477 793 R N -0.144 120.374 120.500 0.030 0.000 2.112 793 R HA -0.196 4.144 4.340 -0.001 0.000 0.242 793 R C 2.078 178.431 176.300 0.090 0.000 1.137 793 R CA 2.572 58.698 56.100 0.044 0.000 0.944 793 R CB -1.757 28.547 30.300 0.007 0.000 0.857 793 R HN 0.656 nan 8.270 nan 0.000 0.435 794 C N 0.343 119.672 119.300 0.048 0.000 2.359 794 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 794 C C 2.625 177.723 174.990 0.179 0.000 1.192 794 C CA 1.363 60.432 59.018 0.084 0.000 1.759 794 C CB -1.113 26.643 27.740 0.026 0.000 2.038 794 C HN 0.546 nan 8.230 nan 0.000 0.448 795 R N 0.602 121.163 120.500 0.102 0.000 2.115 795 R HA -0.151 4.188 4.340 -0.001 0.000 0.239 795 R C 2.423 178.777 176.300 0.091 0.000 1.133 795 R CA 2.103 58.252 56.100 0.082 0.000 0.935 795 R CB -1.305 29.024 30.300 0.047 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.131 109.985 108.800 0.090 0.000 2.679 796 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.217 796 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.217 796 G C 1.255 176.217 174.900 0.103 0.000 1.267 796 G CA 1.017 46.163 45.100 0.077 0.000 0.799 796 G HN 0.389 nan 8.290 nan 0.000 0.606 797 F N 0.709 120.655 119.950 -0.006 0.000 2.176 797 F HA -0.167 4.360 4.527 -0.001 0.000 0.301 797 F C 2.307 178.108 175.800 0.002 0.000 1.071 797 F CA 1.516 59.514 58.000 -0.004 0.000 1.289 797 F CB -0.216 38.783 39.000 -0.003 0.000 1.028 797 F HN 0.088 nan 8.300 nan 0.000 0.494 798 L N -0.067 121.237 121.223 0.135 0.000 2.046 798 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 798 L C 2.469 179.261 176.870 -0.130 0.000 1.077 798 L CA 1.856 56.694 54.840 -0.004 0.000 0.747 798 L CB -0.770 41.356 42.059 0.112 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.886 117.672 119.600 -0.069 0.000 2.349 799 M HA -0.148 4.332 4.480 -0.001 0.000 0.266 799 M C 2.241 178.487 176.300 -0.090 0.000 1.076 799 M CA 0.891 56.156 55.300 -0.058 0.000 1.126 799 M CB -0.170 32.420 32.600 -0.017 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.356 120.050 120.500 -0.157 0.000 2.200 800 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 800 R C 1.680 177.868 176.300 -0.188 0.000 1.127 800 R CA 0.938 56.937 56.100 -0.168 0.000 0.989 800 R CB -0.016 30.176 30.300 -0.180 0.000 0.869 800 R HN 0.244 nan 8.270 nan 0.000 0.459 801 V N -0.242 119.499 119.914 -0.289 0.000 3.174 801 V HA -0.045 4.074 4.120 -0.001 0.000 0.254 801 V C 1.855 177.884 176.094 -0.107 0.000 1.120 801 V CA 0.880 63.037 62.300 -0.239 0.000 1.114 801 V CB 0.100 31.721 31.823 -0.337 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.100 120.054 120.200 -0.078 0.000 2.072 802 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 802 E C 1.963 178.570 176.600 0.013 0.000 0.982 802 E CA 1.153 57.533 56.400 -0.033 0.000 0.803 802 E CB -0.310 29.375 29.700 -0.025 0.000 0.755 802 E HN 0.688 nan 8.360 nan 0.000 0.453 803 Y N 1.274 121.521 120.300 -0.089 0.000 2.165 803 Y HA -0.207 4.342 4.550 -0.001 0.000 0.286 803 Y C 2.445 178.304 175.900 -0.068 0.000 1.155 803 Y CA 2.030 60.087 58.100 -0.071 0.000 1.164 803 Y CB -0.036 38.388 38.460 -0.061 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.319 120.241 120.500 0.100 0.000 2.200 804 R HA -0.144 4.196 4.340 -0.001 0.000 0.234 804 R C 2.123 178.398 176.300 -0.042 0.000 1.127 804 R CA 1.043 57.160 56.100 0.027 0.000 0.989 804 R CB -0.292 30.013 30.300 0.007 0.000 0.869 804 R HN 0.479 nan 8.270 nan 0.000 0.459 805 A N -0.173 122.609 122.820 -0.063 0.000 1.887 805 A HA -0.007 4.312 4.320 -0.001 0.000 0.210 805 A C 1.957 179.467 177.584 -0.123 0.000 1.221 805 A CA 0.500 52.489 52.037 -0.080 0.000 0.635 805 A CB -0.217 18.742 19.000 -0.068 0.000 0.881 805 A HN 0.206 nan 8.150 nan 0.000 0.456 806 M N -0.218 119.291 119.600 -0.153 0.000 2.331 806 M HA -0.174 4.305 4.480 -0.001 0.000 0.260 806 M C 1.791 177.940 176.300 -0.253 0.000 1.072 806 M CA 1.208 56.382 55.300 -0.210 0.000 1.065 806 M CB -0.427 32.018 32.600 -0.259 0.000 1.392 806 M HN 0.274 nan 8.290 nan 0.000 0.427 807 V N -0.713 119.079 119.914 -0.203 0.000 2.492 807 V HA -0.112 4.008 4.120 -0.001 0.000 0.241 807 V C 1.968 177.995 176.094 -0.111 0.000 1.041 807 V CA 1.250 63.438 62.300 -0.185 0.000 1.057 807 V CB -0.286 31.438 31.823 -0.164 0.000 0.711 807 V HN 0.360 nan 8.190 nan 0.000 0.468 808 E N 0.301 120.454 120.200 -0.078 0.000 2.033 808 E HA -0.280 4.069 4.350 -0.001 0.000 0.199 808 E C 2.409 178.968 176.600 -0.069 0.000 1.011 808 E CA 1.737 58.104 56.400 -0.055 0.000 0.815 808 E CB -0.194 29.481 29.700 -0.042 0.000 0.755 808 E HN 0.396 nan 8.360 nan 0.000 0.451 809 R N 0.410 120.855 120.500 -0.091 0.000 2.154 809 R HA -0.194 4.146 4.340 -0.001 0.000 0.248 809 R C 2.367 178.570 176.300 -0.162 0.000 1.155 809 R CA 0.992 57.024 56.100 -0.114 0.000 0.979 809 R CB -0.280 29.942 30.300 -0.130 0.000 0.869 809 R HN 0.129 nan 8.270 nan 0.000 0.452 810 R N 1.158 121.548 120.500 -0.184 0.000 2.227 810 R HA -0.283 4.056 4.340 -0.001 0.000 0.246 810 R C 2.104 178.208 176.300 -0.326 0.000 1.119 810 R CA 2.600 58.544 56.100 -0.259 0.000 0.930 810 R CB -0.355 29.855 30.300 -0.151 0.000 0.912 810 R HN 0.579 nan 8.270 nan 0.000 0.435 811 E N -1.263 118.883 120.200 -0.090 0.000 2.086 811 E HA -0.019 4.331 4.350 -0.001 0.000 0.190 811 E C 1.892 178.508 176.600 0.026 0.000 0.975 811 E CA 0.915 57.360 56.400 0.073 0.000 0.813 811 E CB -0.334 29.466 29.700 0.168 0.000 0.768 811 E HN 0.093 nan 8.360 nan 0.000 0.457 812 S N 1.027 116.712 115.700 -0.024 0.000 2.440 812 S HA -0.125 4.344 4.470 -0.001 0.000 0.240 812 S C 1.887 176.459 174.600 -0.047 0.000 1.014 812 S CA 1.090 59.279 58.200 -0.019 0.000 0.980 812 S CB -0.329 62.854 63.200 -0.028 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.003 120.486 120.570 -0.135 0.000 2.141 813 I HA -0.148 4.022 4.170 -0.001 0.000 0.236 813 I C 1.903 177.949 176.117 -0.118 0.000 1.071 813 I CA 1.116 62.309 61.300 -0.178 0.000 1.345 813 I CB -0.578 37.231 38.000 -0.319 0.000 1.066 813 I HN 0.204 nan 8.210 nan 0.000 0.406 814 F N 1.146 121.002 119.950 -0.158 0.000 2.063 814 F HA -0.388 4.139 4.527 -0.001 0.000 0.297 814 F C 2.970 178.666 175.800 -0.173 0.000 1.099 814 F CA 1.706 59.541 58.000 -0.274 0.000 1.220 814 F CB -1.495 37.416 39.000 -0.149 0.000 0.972 814 F HN 0.301 nan 8.300 nan 0.000 0.487 815 C N 0.884 120.300 119.300 0.192 0.000 2.393 815 C HA -0.220 4.240 4.460 -0.001 0.000 0.276 815 C C 2.908 177.956 174.990 0.096 0.000 1.215 815 C CA 1.296 60.404 59.018 0.150 0.000 1.743 815 C CB -1.331 26.471 27.740 0.104 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.081 120.675 120.570 0.040 0.000 2.202 816 I HA -0.205 3.965 4.170 -0.001 0.000 0.242 816 I C 2.715 178.841 176.117 0.017 0.000 1.091 816 I CA 1.705 63.015 61.300 0.017 0.000 1.368 816 I CB -1.339 36.651 38.000 -0.017 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.401 120.180 119.800 -0.034 0.000 1.935 817 Q HA -0.261 4.079 4.340 -0.001 0.000 0.212 817 Q C 2.354 178.359 176.000 0.008 0.000 1.008 817 Q CA 2.404 58.158 55.803 -0.081 0.000 0.868 817 Q CB -0.366 28.240 28.738 -0.219 0.000 0.946 817 Q HN 0.371 nan 8.270 nan 0.000 0.418 818 Y N 0.946 121.308 120.300 0.104 0.000 2.081 818 Y HA -0.288 4.262 4.550 -0.001 0.000 0.280 818 Y C 2.153 178.094 175.900 0.068 0.000 1.163 818 Y CA 1.103 59.245 58.100 0.069 0.000 1.135 818 Y CB -0.915 37.571 38.460 0.044 0.000 0.970 818 Y HN 0.272 nan 8.280 nan 0.000 0.498 819 N N 0.108 118.949 118.700 0.234 0.000 2.133 819 N HA -0.196 4.543 4.740 -0.001 0.000 0.193 819 N C 1.900 177.504 175.510 0.156 0.000 1.012 819 N CA 1.764 54.912 53.050 0.163 0.000 0.871 819 N CB -0.336 38.221 38.487 0.116 0.000 1.011 819 N HN 0.208 nan 8.380 nan 0.000 0.435 820 V N 1.267 121.265 119.914 0.139 0.000 2.283 820 V HA -0.140 3.979 4.120 -0.001 0.000 0.243 820 V C 2.419 178.647 176.094 0.223 0.000 1.039 820 V CA 1.230 63.621 62.300 0.152 0.000 1.016 820 V CB -0.354 31.530 31.823 0.102 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.153 120.453 120.500 0.177 0.000 2.134 821 R HA -0.228 4.112 4.340 -0.001 0.000 0.248 821 R C 2.593 178.980 176.300 0.146 0.000 1.143 821 R CA 1.956 58.150 56.100 0.156 0.000 0.957 821 R CB -0.706 29.690 30.300 0.160 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.473 116.268 115.700 0.159 0.000 2.427 822 S HA -0.248 4.221 4.470 -0.001 0.000 0.231 822 S C 1.545 176.238 174.600 0.155 0.000 1.045 822 S CA 1.829 60.107 58.200 0.131 0.000 1.154 822 S CB -0.541 62.758 63.200 0.164 0.000 1.093 822 S HN 0.381 nan 8.310 nan 0.000 0.422 823 F N 2.037 122.037 119.950 0.084 0.000 2.085 823 F HA -0.239 4.288 4.527 -0.001 0.000 0.299 823 F C 2.224 178.069 175.800 0.076 0.000 1.096 823 F CA 1.854 59.917 58.000 0.106 0.000 1.227 823 F CB -0.353 38.708 39.000 0.101 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.159 119.432 119.600 -0.016 0.000 2.346 824 M HA -0.213 4.266 4.480 -0.001 0.000 0.263 824 M C 1.460 177.676 176.300 -0.140 0.000 1.064 824 M CA 1.518 56.738 55.300 -0.132 0.000 1.083 824 M CB -1.102 31.527 32.600 0.050 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.468 118.183 118.700 -0.082 0.000 2.368 825 N HA 0.045 4.784 4.740 -0.001 0.000 0.178 825 N C 0.655 176.135 175.510 -0.049 0.000 1.021 825 N CA 0.246 53.266 53.050 -0.049 0.000 0.875 825 N CB 0.346 38.802 38.487 -0.052 0.000 1.020 825 N HN -0.005 nan 8.380 nan 0.000 0.433 829 W N 5.992 127.351 121.300 0.098 0.000 2.388 829 W HA 0.297 4.957 4.660 -0.001 0.000 0.308 829 W C -1.527 175.027 176.519 0.059 0.000 1.263 829 W CA -2.302 55.093 57.345 0.084 0.000 1.286 829 W CB 0.605 30.112 29.460 0.079 0.000 1.294 829 W HN -0.032 nan 8.180 nan 0.000 0.493 830 P HA -0.318 nan 4.420 nan 0.000 0.221 830 P C 1.182 178.139 177.300 -0.571 0.000 1.160 830 P CA 2.701 65.550 63.100 -0.419 0.000 0.933 830 P CB -0.236 31.115 31.700 -0.582 0.000 0.793 831 W N -1.364 119.414 121.300 -0.869 0.000 2.342 831 W HA -0.056 4.604 4.660 -0.001 0.000 0.297 831 W C 1.910 178.097 176.519 -0.554 0.000 1.213 831 W CA 0.084 56.901 57.345 -0.880 0.000 1.251 831 W CB -0.931 27.521 29.460 -1.680 0.000 1.136 831 W HN -0.004 nan 8.180 nan 0.000 0.526 835 F N 1.622 121.519 119.950 -0.088 0.000 2.147 835 F HA -0.106 4.420 4.527 -0.001 0.000 0.301 835 F C 1.077 176.931 175.800 0.090 0.000 1.084 835 F CA 1.094 59.067 58.000 -0.046 0.000 1.268 835 F CB -0.149 38.741 39.000 -0.183 0.000 1.009 835 F HN -0.053 nan 8.300 nan 0.000 0.486 841 L N 0.121 121.330 121.223 -0.023 0.000 2.450 841 L HA -0.078 4.262 4.340 -0.001 0.000 0.225 841 L C 0.930 177.797 176.870 -0.005 0.000 1.145 841 L CA 1.260 56.094 54.840 -0.010 0.000 0.801 841 L CB -0.950 41.108 42.059 -0.003 0.000 0.924 841 L HN 0.125 nan 8.230 nan 0.000 0.447 842 L N -0.839 120.378 121.223 -0.010 0.000 2.479 842 L HA 0.285 4.625 4.340 -0.001 0.000 0.248 842 L C 0.563 177.434 176.870 0.002 0.000 1.205 842 L CA 0.081 54.922 54.840 0.001 0.000 0.817 842 L CB 0.316 42.375 42.059 0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.407 120.400 0.011 0.000 2.780 843 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 843 K CA 0.000 56.294 56.287 0.011 0.000 0.838 843 K CB 0.000 32.506 32.500 0.010 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543