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 1o18_1_J 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 0.000 176.324 176.300 0.040 0.000 2.045 4 D CA 0.000 54.016 54.000 0.027 0.000 0.868 4 D CB 0.000 40.810 40.800 0.017 0.000 0.688 5 A N 1.343 124.185 122.820 0.038 0.000 1.865 5 A HA -0.218 4.103 4.320 0.001 0.000 0.217 5 A C 1.867 179.480 177.584 0.049 0.000 1.191 5 A CA 2.138 54.199 52.037 0.039 0.000 0.623 5 A CB -0.658 18.364 19.000 0.036 0.000 0.826 5 A HN 0.298 nan 8.150 nan 0.000 0.444 6 E N -0.223 120.012 120.200 0.059 0.000 2.021 6 E HA -0.151 4.200 4.350 0.001 0.000 0.200 6 E C 0.348 177.021 176.600 0.121 0.000 1.015 6 E CA 0.911 57.358 56.400 0.079 0.000 0.824 6 E CB -0.326 29.427 29.700 0.088 0.000 0.762 6 E HN 0.558 nan 8.360 nan 0.000 0.454 7 M N 0.079 119.773 119.600 0.157 0.000 2.390 7 M HA 0.043 4.524 4.480 0.001 0.000 0.353 7 M C 0.361 176.767 176.300 0.176 0.000 1.623 7 M CA 0.459 55.916 55.300 0.262 0.000 1.065 7 M CB 0.682 33.385 32.600 0.172 0.000 2.025 7 M HN 0.222 nan 8.290 nan 0.000 0.461 8 A N 3.036 125.958 122.820 0.170 0.000 1.429 8 A HA 0.396 4.717 4.320 0.001 0.000 0.212 8 A C 1.785 179.372 177.584 0.005 0.000 1.863 8 A CA 0.538 52.617 52.037 0.070 0.000 1.494 8 A CB -0.927 18.087 19.000 0.023 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.250 122.981 122.820 -0.148 0.000 1.896 9 A HA -0.087 4.234 4.320 0.001 0.000 0.220 9 A C 1.901 179.280 177.584 -0.342 0.000 1.206 9 A CA 2.317 54.130 52.037 -0.373 0.000 0.647 9 A CB -1.044 17.520 19.000 -0.727 0.000 0.828 9 A HN 0.725 nan 8.150 nan 0.000 0.455 10 F N -1.143 118.799 119.950 -0.013 0.000 2.094 10 F HA 0.292 4.819 4.527 0.001 0.000 0.291 10 F C 2.499 178.323 175.800 0.039 0.000 1.109 10 F CA 0.810 58.824 58.000 0.022 0.000 1.221 10 F CB -1.229 37.784 39.000 0.021 0.000 1.014 10 F HN 0.473 nan 8.300 nan 0.000 0.473 11 G N 0.473 109.453 108.800 0.300 0.000 3.773 11 G HA2 -0.529 3.432 3.960 0.001 0.000 0.355 11 G HA3 -0.529 3.432 3.960 0.001 0.000 0.355 11 G C 1.271 176.261 174.900 0.149 0.000 1.323 11 G CA 1.289 46.490 45.100 0.168 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.052 121.343 120.200 0.152 0.000 2.160 12 E HA 0.205 4.555 4.350 0.001 0.000 0.195 12 E C 2.856 179.579 176.600 0.204 0.000 0.991 12 E CA 1.960 58.455 56.400 0.158 0.000 0.810 12 E CB -0.381 29.419 29.700 0.167 0.000 0.742 12 E HN 0.758 nan 8.360 nan 0.000 0.466 13 A N 0.291 123.263 122.820 0.253 0.000 2.021 13 A HA 0.161 4.481 4.320 0.001 0.000 0.216 13 A C 2.284 179.976 177.584 0.180 0.000 1.163 13 A CA 1.034 53.256 52.037 0.309 0.000 0.676 13 A CB -0.537 18.665 19.000 0.336 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.258 124.135 122.820 0.094 0.000 1.916 14 A HA -0.241 4.080 4.320 0.001 0.000 0.224 14 A C 0.254 177.755 177.584 -0.137 0.000 1.366 14 A CA 2.472 54.470 52.037 -0.065 0.000 0.692 14 A CB -2.075 16.923 19.000 -0.004 0.000 0.841 14 A HN 0.482 nan 8.150 nan 0.000 0.480 15 P HA -0.147 nan 4.420 nan 0.000 0.220 15 P C 0.526 177.590 177.300 -0.394 0.000 1.144 15 P CA 1.377 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 -2.427 117.875 120.300 0.003 0.000 2.462 16 Y HA 0.145 4.695 4.550 0.001 0.000 0.261 16 Y C 1.951 177.835 175.900 -0.027 0.000 1.146 16 Y CA 0.031 58.136 58.100 0.008 0.000 1.283 16 Y CB -0.318 38.139 38.460 -0.004 0.000 1.090 16 Y HN -0.167 nan 8.280 nan 0.000 0.526 17 L N -1.092 120.147 121.223 0.027 0.000 2.435 17 L HA 0.298 4.638 4.340 0.001 0.000 0.195 17 L C 0.919 177.742 176.870 -0.079 0.000 1.072 17 L CA 0.805 55.613 54.840 -0.053 0.000 0.833 17 L CB -0.202 41.717 42.059 -0.233 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.038 121.228 120.200 -0.018 0.000 2.516 21 E HA -0.134 4.216 4.350 0.001 0.000 0.206 21 E C 1.174 177.762 176.600 -0.019 0.000 1.107 21 E CA 1.522 57.913 56.400 -0.016 0.000 0.903 21 E CB -0.175 29.523 29.700 -0.004 0.000 0.838 21 E HN 0.629 nan 8.360 nan 0.000 0.574 22 K N -2.189 118.198 120.400 -0.021 0.000 2.474 22 K HA 0.171 4.491 4.320 0.001 0.000 0.204 22 K C 1.559 178.142 176.600 -0.029 0.000 1.220 22 K CA -0.131 56.142 56.287 -0.023 0.000 0.966 22 K CB 0.109 32.599 32.500 -0.017 0.000 1.049 22 K HN -0.109 nan 8.250 nan 0.000 0.554 23 E N 1.358 121.542 120.200 -0.027 0.000 2.153 23 E HA -0.070 4.281 4.350 0.001 0.000 0.194 23 E C 1.828 178.406 176.600 -0.036 0.000 0.988 23 E CA 1.123 57.506 56.400 -0.028 0.000 0.811 23 E CB 0.138 29.822 29.700 -0.027 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.240 120.716 120.500 -0.039 0.000 2.070 24 R HA -0.069 4.272 4.340 0.001 0.000 0.227 24 R C 2.467 178.727 176.300 -0.066 0.000 1.147 24 R CA 1.260 57.330 56.100 -0.051 0.000 0.924 24 R CB -0.460 29.811 30.300 -0.047 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.382 121.916 120.570 -0.061 0.000 2.185 25 I HA -0.307 3.863 4.170 0.001 0.000 0.246 25 I C 1.846 177.923 176.117 -0.067 0.000 1.088 25 I CA 1.634 62.893 61.300 -0.068 0.000 1.347 25 I CB -0.508 37.463 38.000 -0.049 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.395 120.564 120.200 -0.051 0.000 2.418 26 E HA -0.087 4.263 4.350 0.001 0.000 0.197 26 E C 2.048 178.618 176.600 -0.050 0.000 1.026 26 E CA 0.878 57.252 56.400 -0.044 0.000 0.862 26 E CB 0.057 29.739 29.700 -0.031 0.000 0.799 26 E HN 0.540 nan 8.360 nan 0.000 0.518 27 A N 0.708 123.490 122.820 -0.063 0.000 1.973 27 A HA -0.040 4.280 4.320 0.001 0.000 0.210 27 A C 1.946 179.466 177.584 -0.106 0.000 1.200 27 A CA 0.184 52.180 52.037 -0.068 0.000 0.707 27 A CB 0.098 19.064 19.000 -0.058 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.327 120.044 119.800 -0.139 0.000 2.187 28 Q HA 0.032 4.373 4.340 0.001 0.000 0.199 28 Q C 0.081 175.951 176.000 -0.216 0.000 0.957 28 Q CA 0.485 56.159 55.803 -0.215 0.000 0.857 28 Q CB -0.038 28.545 28.738 -0.258 0.000 0.929 28 Q HN 0.562 nan 8.270 nan 0.000 0.453 32 F N 1.144 121.059 119.950 -0.059 0.000 2.574 32 F HA 0.381 4.909 4.527 0.001 0.000 0.313 32 F C -1.044 174.725 175.800 -0.052 0.000 1.130 32 F CA -0.522 57.440 58.000 -0.062 0.000 0.936 32 F CB 2.183 41.142 39.000 -0.068 0.000 1.219 32 F HN 0.179 nan 8.300 nan 0.000 0.445 33 D N 5.065 125.045 120.400 -0.699 0.000 2.479 33 D HA 0.471 5.111 4.640 0.001 0.000 0.247 33 D C 0.175 176.122 176.300 -0.589 0.000 1.119 33 D CA 0.144 53.866 54.000 -0.463 0.000 0.922 33 D CB 1.333 41.955 40.800 -0.298 0.000 1.014 33 D HN 0.758 nan 8.370 nan 0.000 0.510 37 S N 2.015 117.534 115.700 -0.302 0.000 2.533 37 S HA 0.697 5.167 4.470 0.001 0.000 0.282 37 S C -0.194 174.261 174.600 -0.241 0.000 1.304 37 S CA -0.328 57.671 58.200 -0.334 0.000 1.063 37 S CB 1.452 64.317 63.200 -0.557 0.000 0.881 37 S HN 0.622 nan 8.310 nan 0.000 0.493 38 V N 1.960 121.724 119.914 -0.251 0.000 3.258 38 V HA 0.513 4.633 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 2.071 33.843 31.823 -0.085 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.183 121.116 119.950 -0.028 0.000 2.425 39 F HA 0.857 5.384 4.527 0.001 0.000 0.331 39 F C 0.141 176.046 175.800 0.175 0.000 1.085 39 F CA -0.547 57.435 58.000 -0.030 0.000 1.028 39 F CB 1.886 40.767 39.000 -0.199 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.439 122.667 119.914 0.522 0.000 3.178 40 V HA 0.489 4.609 4.120 0.001 0.000 0.302 40 V C -0.965 175.493 176.094 0.607 0.000 1.262 40 V CA -0.923 61.680 62.300 0.505 0.000 1.030 40 V CB 2.580 34.558 31.823 0.260 0.000 1.074 40 V HN 0.485 nan 8.190 nan 0.000 0.438 41 V N 3.805 124.003 119.914 0.472 0.000 3.139 41 V HA 0.341 4.462 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 0.387 62.821 62.300 0.223 0.000 1.160 41 V CB 1.015 32.933 31.823 0.158 0.000 1.003 41 V HN 0.999 nan 8.190 nan 0.000 0.489 42 H N 5.160 124.204 119.070 -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 -1.589 54.463 56.048 0.007 0.000 1.443 42 H CB 2.192 31.998 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 1.027 178.461 177.300 0.225 0.000 1.158 43 P CA 1.611 64.808 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 -1.153 119.496 120.400 0.415 0.000 2.056 44 K HA 0.054 4.374 4.320 0.001 0.000 0.205 44 K C 1.237 177.811 176.600 -0.043 0.000 1.035 44 K CA 0.743 57.123 56.287 0.155 0.000 0.955 44 K CB -0.241 32.362 32.500 0.172 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.117 119.679 119.800 -0.396 0.000 2.261 45 Q HA 0.151 4.492 4.340 0.001 0.000 0.252 45 Q C 0.662 176.571 176.000 -0.151 0.000 0.915 45 Q CA -0.216 55.391 55.803 -0.326 0.000 0.915 45 Q CB 1.800 30.296 28.738 -0.404 0.000 1.204 45 Q HN 0.146 nan 8.270 nan 0.000 0.421 46 S N 1.981 117.692 115.700 0.020 0.000 2.389 46 S HA -0.143 4.327 4.470 0.001 0.000 0.229 46 S C -0.171 174.266 174.600 -0.272 0.000 1.048 46 S CA 1.512 59.657 58.200 -0.093 0.000 1.117 46 S CB 0.060 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 -1.017 119.030 119.950 0.161 0.000 2.607 47 F HA 0.577 5.104 4.527 0.001 0.000 0.322 47 F C -0.181 175.830 175.800 0.352 0.000 1.176 47 F CA -0.699 57.430 58.000 0.213 0.000 0.977 47 F CB 1.493 40.554 39.000 0.101 0.000 1.242 47 F HN -0.078 nan 8.300 nan 0.000 0.465 51 T N 1.326 115.833 114.554 -0.079 0.000 2.797 51 T HA 0.507 4.858 4.350 0.001 0.000 0.279 51 T C 0.187 174.846 174.700 -0.070 0.000 0.991 51 T CA -0.430 61.612 62.100 -0.097 0.000 0.979 51 T CB 1.212 70.023 68.868 -0.095 0.000 0.943 51 T HN 0.415 nan 8.240 nan 0.000 0.444 52 I N 3.851 124.375 120.570 -0.076 0.000 2.533 52 I HA 0.120 4.290 4.170 0.001 0.000 0.284 52 I C 1.359 177.446 176.117 -0.050 0.000 1.109 52 I CA 0.053 61.320 61.300 -0.055 0.000 1.412 52 I CB 0.437 38.404 38.000 -0.055 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.040 123.818 119.800 -0.038 0.000 2.240 53 Q HA 0.124 4.465 4.340 0.001 0.000 0.194 53 Q C 0.585 176.567 176.000 -0.029 0.000 0.982 53 Q CA 0.808 56.591 55.803 -0.033 0.000 0.842 53 Q CB 0.090 28.812 28.738 -0.026 0.000 0.941 53 Q HN 0.813 nan 8.270 nan 0.000 0.516 57 G N 0.606 109.400 108.800 -0.010 0.000 2.245 57 G HA2 -0.273 3.688 3.960 0.001 0.000 0.264 57 G HA3 -0.273 3.688 3.960 0.001 0.000 0.264 57 G C 0.517 175.412 174.900 -0.009 0.000 0.985 57 G CA 0.500 45.595 45.100 -0.008 0.000 0.625 57 G HN 0.819 nan 8.290 nan 0.000 0.536 61 T N 2.254 116.797 114.554 -0.019 0.000 2.771 61 T HA 0.879 5.230 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 61.406 62.100 -0.017 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 4.847 4.350 0.001 0.000 0.241 65 E C 0.488 177.129 176.600 0.068 0.000 0.950 65 E CA 0.036 56.465 56.400 0.047 0.000 0.776 65 E CB 0.348 30.073 29.700 0.043 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.823 110.655 108.800 0.053 0.000 3.259 66 G HA2 -0.036 3.924 3.960 0.001 0.000 0.217 66 G HA3 -0.036 3.924 3.960 0.001 0.000 0.217 66 G C 0.423 175.349 174.900 0.045 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 -0.180 108.646 108.800 0.043 0.000 3.055 67 G HA2 0.438 4.399 3.960 0.001 0.000 0.654 67 G HA3 0.438 4.399 3.960 0.001 0.000 0.654 67 G C -0.704 174.217 174.900 0.035 0.000 1.134 67 G CA 0.822 45.940 45.100 0.030 0.000 1.049 67 G HN 1.305 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 5.085 4.350 0.001 0.000 0.281 68 E C -0.388 176.216 176.600 0.007 0.000 1.046 68 E CA -0.374 56.040 56.400 0.023 0.000 0.825 68 E CB 1.524 31.249 29.700 0.040 0.000 1.243 68 E HN 0.753 nan 8.360 nan 0.000 0.438 69 T N 1.505 116.054 114.554 -0.009 0.000 2.841 69 T HA 0.711 5.061 4.350 0.001 0.000 0.285 69 T C -0.843 173.840 174.700 -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 69.748 68.868 -0.012 0.000 0.962 69 T HN 0.300 nan 8.240 nan 0.000 0.438 70 L N 2.160 123.365 121.223 -0.030 0.000 2.422 70 L HA 0.626 4.967 4.340 0.001 0.000 0.264 70 L C -0.318 176.537 176.870 -0.026 0.000 0.984 70 L CA -0.475 54.341 54.840 -0.041 0.000 0.819 70 L CB 2.788 44.809 42.059 -0.064 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.415 116.954 114.554 -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 -0.017 0.000 1.059 71 T CA -0.320 61.769 62.100 -0.019 0.000 0.954 71 T CB 1.035 69.893 68.868 -0.017 0.000 0.994 71 T HN 0.193 nan 8.240 nan 0.000 0.479 72 V N 3.356 123.262 119.914 -0.014 0.000 2.864 72 V HA 0.446 4.567 4.120 0.001 0.000 0.314 72 V C 0.439 176.522 176.094 -0.017 0.000 1.073 72 V CA -1.160 61.134 62.300 -0.010 0.000 0.956 72 V CB 2.321 34.146 31.823 0.004 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 -0.016 0.000 2.414 73 K HA -0.132 4.188 4.320 0.001 0.000 0.266 73 K C 1.234 177.805 176.600 -0.047 0.000 0.976 73 K CA 1.183 57.456 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 0.284 120.455 120.200 -0.049 0.000 2.107 74 E HA -0.138 4.213 4.350 0.001 0.000 0.191 74 E C 0.105 176.631 176.600 -0.124 0.000 0.982 74 E CA 1.300 57.659 56.400 -0.067 0.000 0.809 74 E CB 0.173 29.847 29.700 -0.044 0.000 0.756 74 E HN 0.499 nan 8.360 nan 0.000 0.459 75 D N -0.642 119.688 120.400 -0.118 0.000 2.706 75 D HA 0.067 4.707 4.640 0.001 0.000 0.236 75 D C 0.431 176.564 176.300 -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 41.075 40.800 -0.124 0.000 1.015 75 D HN 0.002 nan 8.370 nan 0.000 0.484 76 Q N -0.690 118.952 119.800 -0.263 0.000 2.189 76 Q HA 0.268 4.609 4.340 0.001 0.000 0.223 76 Q C -0.785 175.086 176.000 -0.214 0.000 0.828 76 Q CA 0.022 55.751 55.803 -0.123 0.000 0.967 76 Q CB 1.317 30.058 28.738 0.006 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.546 121.169 119.914 -0.485 0.000 2.417 77 V HA 0.502 4.623 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 61.613 62.300 -0.341 0.000 0.861 77 V CB 1.092 32.825 31.823 -0.150 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.812 121.833 119.950 0.118 0.000 2.547 78 F HA 0.508 5.036 4.527 0.001 0.000 0.316 78 F C 0.737 176.624 175.800 0.144 0.000 1.121 78 F CA -0.588 57.500 58.000 0.146 0.000 0.911 78 F CB 1.841 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 2.490 118.478 115.700 0.480 0.000 2.589 79 S HA 0.263 4.734 4.470 0.001 0.000 0.256 79 S C -0.316 174.389 174.600 0.175 0.000 1.383 79 S CA -0.139 58.216 58.200 0.259 0.000 0.983 79 S CB 0.338 63.681 63.200 0.238 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.139 121.693 119.600 -0.077 0.000 2.267 80 M HA 0.316 4.796 4.480 0.001 0.000 0.289 80 M C -1.071 175.181 176.300 -0.079 0.000 1.043 80 M CA -0.555 54.680 55.300 -0.108 0.000 0.928 80 M CB 1.050 33.462 32.600 -0.314 0.000 1.613 80 M HN 0.508 nan 8.290 nan 0.000 0.450 81 N N 5.724 124.385 118.700 -0.066 0.000 2.454 81 N HA 0.211 4.951 4.740 0.001 0.000 0.254 81 N C -2.501 172.813 175.510 -0.326 0.000 1.228 81 N CA -0.518 52.487 53.050 -0.074 0.000 0.900 81 N CB 0.306 38.846 38.487 0.089 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 -2.357 174.539 177.300 -0.674 0.000 1.217 82 P CA -0.708 61.877 63.100 -0.857 0.000 0.783 82 P CB -0.465 31.023 31.700 -0.354 0.000 0.898 89 E N 2.050 122.324 120.200 0.122 0.000 2.118 89 E HA -0.182 4.169 4.350 0.001 0.000 0.195 89 E C 0.170 176.911 176.600 0.236 0.000 0.992 89 E CA 1.243 57.735 56.400 0.154 0.000 0.804 89 E CB 0.304 30.118 29.700 0.190 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 4.765 4.640 0.001 0.000 0.255 90 D C 0.642 177.003 176.300 0.103 0.000 1.185 90 D CA -0.170 53.948 54.000 0.197 0.000 0.904 90 D CB 0.679 41.566 40.800 0.145 0.000 1.102 90 D HN -0.041 nan 8.370 nan 0.000 0.534 91 M N 1.487 121.141 119.600 0.090 0.000 2.337 91 M HA -0.142 4.338 4.480 0.001 0.000 0.261 91 M C 1.738 178.028 176.300 -0.017 0.000 1.067 91 M CA 1.178 56.498 55.300 0.033 0.000 1.074 91 M CB -0.116 32.502 32.600 0.030 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.496 122.320 122.820 -0.006 0.000 2.255 92 A HA 0.090 4.411 4.320 0.001 0.000 0.206 92 A C 1.888 179.409 177.584 -0.106 0.000 1.193 92 A CA 0.647 52.650 52.037 -0.057 0.000 0.794 92 A CB -0.587 18.384 19.000 -0.049 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.423 118.125 119.600 -0.087 0.000 2.367 93 M HA 0.285 4.765 4.480 0.001 0.000 0.256 93 M C 0.310 176.500 176.300 -0.184 0.000 1.091 93 M CA 0.000 55.243 55.300 -0.096 0.000 1.049 93 M CB 0.080 32.679 32.600 -0.003 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.310 119.119 119.600 -0.284 0.000 2.252 94 M HA -0.095 4.386 4.480 0.001 0.000 0.321 94 M C 1.279 177.292 176.300 -0.478 0.000 1.070 94 M CA 0.788 55.730 55.300 -0.597 0.000 1.143 94 M CB 0.392 32.787 32.600 -0.342 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.036 114.171 114.554 -0.577 0.000 3.122 95 T HA 0.133 4.484 4.350 0.001 0.000 0.250 95 T C -0.665 173.857 174.700 -0.298 0.000 1.067 95 T CA 0.278 62.197 62.100 -0.301 0.000 0.966 95 T CB -0.281 68.475 68.868 -0.187 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.871 119.764 119.070 -0.294 0.000 2.854 96 H HA 0.395 4.952 4.556 0.001 0.000 0.275 96 H C -1.228 173.899 175.328 -0.336 0.000 1.198 96 H CA -0.699 55.172 56.048 -0.296 0.000 1.489 96 H CB 0.564 30.223 29.762 -0.172 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.043 125.100 121.223 -0.277 0.000 2.358 97 L HA 0.250 4.591 4.340 0.001 0.000 0.274 97 L C 0.108 176.838 176.870 -0.232 0.000 1.136 97 L CA 0.096 54.813 54.840 -0.205 0.000 0.970 97 L CB -1.306 40.655 42.059 -0.162 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.722 118.288 119.070 -0.099 0.000 2.896 98 H HA 0.318 4.874 4.556 0.001 0.000 0.318 98 H C 0.558 175.698 175.328 -0.313 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 0.225 120.245 120.200 -0.300 0.000 2.042 99 E HA -0.023 4.327 4.350 0.001 0.000 0.189 99 E C -1.034 175.182 176.600 -0.641 0.000 0.974 99 E CA 0.263 56.409 56.400 -0.423 0.000 0.806 99 E CB -0.551 28.912 29.700 -0.395 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.132 nan 4.420 nan 0.000 0.215 100 P C 0.996 177.733 177.300 -0.938 0.000 1.157 100 P CA 1.854 64.169 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 -0.628 121.743 122.820 -0.749 0.000 2.032 101 A HA -0.154 4.166 4.320 0.001 0.000 0.221 101 A C 2.318 179.814 177.584 -0.147 0.000 1.165 101 A CA 1.751 53.620 52.037 -0.279 0.000 0.645 101 A CB -1.684 17.437 19.000 0.201 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.561 119.238 119.914 -0.191 0.000 2.446 102 V HA -0.134 3.987 4.120 0.001 0.000 0.244 102 V C 2.391 178.388 176.094 -0.161 0.000 1.039 102 V CA 1.554 63.775 62.300 -0.132 0.000 1.045 102 V CB -0.489 31.262 31.823 -0.121 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.088 120.985 121.223 -0.249 0.000 1.994 103 L HA -0.168 4.173 4.340 0.001 0.000 0.208 103 L C 2.282 178.960 176.870 -0.320 0.000 1.071 103 L CA 2.226 56.880 54.840 -0.311 0.000 0.745 103 L CB -1.146 40.667 42.059 -0.410 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.039 120.152 120.300 -0.310 0.000 2.256 104 Y HA -0.247 4.304 4.550 0.001 0.000 0.288 104 Y C 2.661 178.522 175.900 -0.065 0.000 1.155 104 Y CA 2.012 60.003 58.100 -0.181 0.000 1.203 104 Y CB -0.623 37.726 38.460 -0.185 0.000 0.980 104 Y HN 0.474 nan 8.280 nan 0.000 0.530 105 N N -0.438 118.294 118.700 0.052 0.000 2.216 105 N HA -0.093 4.647 4.740 0.001 0.000 0.183 105 N C 0.481 176.001 175.510 0.016 0.000 1.017 105 N CA 0.241 53.322 53.050 0.053 0.000 0.861 105 N CB -0.150 38.364 38.487 0.045 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.496 121.016 120.500 0.033 0.000 2.319 109 R HA 0.112 4.452 4.340 0.001 0.000 0.204 109 R C 1.514 177.838 176.300 0.041 0.000 0.954 109 R CA 0.718 56.833 56.100 0.025 0.000 1.066 109 R CB -0.133 30.185 30.300 0.029 0.000 0.991 109 R HN 0.151 nan 8.270 nan 0.000 0.486 110 Y N 0.916 121.135 120.300 -0.135 0.000 2.464 110 Y HA 0.371 4.921 4.550 0.001 0.000 0.288 110 Y C 2.271 177.941 175.900 -0.384 0.000 1.133 110 Y CA 0.190 58.176 58.100 -0.190 0.000 1.223 110 Y CB -0.119 38.246 38.460 -0.158 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.253 122.831 122.820 -0.403 0.000 2.178 111 A HA 0.134 4.454 4.320 0.001 0.000 0.218 111 A C 1.911 179.075 177.584 -0.700 0.000 1.157 111 A CA 1.403 53.069 52.037 -0.618 0.000 0.689 111 A CB -1.081 17.747 19.000 -0.287 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.315 119.251 122.820 -0.423 0.000 2.430 112 A HA 0.418 4.738 4.320 0.001 0.000 0.243 112 A C 0.356 177.953 177.584 0.022 0.000 1.254 112 A CA -0.188 51.736 52.037 -0.188 0.000 0.914 112 A CB -0.428 18.533 19.000 -0.065 0.000 0.998 112 A HN 0.711 nan 8.150 nan 0.000 0.515 113 W N -1.476 119.785 121.300 -0.065 0.000 4.301 113 W HA -0.170 4.491 4.660 0.001 0.000 0.360 113 W C -0.556 175.998 176.519 0.059 0.000 1.371 113 W CA 0.772 58.107 57.345 -0.017 0.000 0.781 113 W CB -2.344 27.182 29.460 0.110 0.000 2.488 113 W HN 0.404 nan 8.180 nan 0.000 1.350 114 M N 0.893 120.581 119.600 0.147 0.000 2.066 114 M HA 0.274 4.755 4.480 0.001 0.000 0.340 114 M C 1.522 177.839 176.300 0.028 0.000 1.053 114 M CA -0.182 55.173 55.300 0.093 0.000 0.983 114 M CB 0.660 33.296 32.600 0.060 0.000 1.520 114 M HN 0.102 nan 8.290 nan 0.000 0.428 115 I N -0.763 119.723 120.570 -0.140 0.000 3.226 115 I HA 0.111 4.282 4.170 0.001 0.000 0.277 115 I C -0.519 175.283 176.117 -0.524 0.000 1.243 115 I CA 0.536 61.633 61.300 -0.338 0.000 1.459 115 I CB 0.125 37.816 38.000 -0.515 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.130 122.401 120.300 -0.048 0.000 2.402 116 Y HA 0.548 5.098 4.550 0.001 0.000 0.332 116 Y C 0.316 176.111 175.900 -0.175 0.000 0.960 116 Y CA -1.178 56.848 58.100 -0.124 0.000 1.228 116 Y CB 1.238 39.597 38.460 -0.168 0.000 1.120 116 Y HN -0.051 nan 8.280 nan 0.000 0.491 117 T N 3.187 117.739 114.554 -0.004 0.000 2.861 117 T HA 0.589 4.939 4.350 0.001 0.000 0.287 117 T C -1.117 173.563 174.700 -0.032 0.000 1.003 117 T CA -0.552 61.517 62.100 -0.052 0.000 0.977 117 T CB 0.419 69.286 68.868 -0.002 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.220 122.592 120.300 0.120 0.000 2.307 118 Y HA 0.557 5.107 4.550 0.001 0.000 0.324 118 Y C 1.292 177.260 175.900 0.114 0.000 1.238 118 Y CA -0.782 57.395 58.100 0.128 0.000 1.280 118 Y CB 1.675 40.202 38.460 0.112 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.256 117.165 115.700 0.348 0.000 2.327 119 S HA 0.553 5.023 4.470 0.001 0.000 0.203 119 S C 0.328 175.048 174.600 0.199 0.000 1.326 119 S CA 0.266 58.614 58.200 0.248 0.000 1.248 119 S CB -0.939 62.405 63.200 0.240 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.037 110.896 108.800 0.098 0.000 3.110 120 G HA2 -0.195 3.766 3.960 0.001 0.000 0.238 120 G HA3 -0.195 3.766 3.960 0.001 0.000 0.238 120 G C 0.263 175.123 174.900 -0.067 0.000 1.647 120 G CA 0.083 45.164 45.100 -0.032 0.000 1.146 120 G HN 0.535 nan 8.290 nan 0.000 0.545 121 L N 1.109 122.223 121.223 -0.181 0.000 2.515 121 L HA 0.478 4.819 4.340 0.001 0.000 0.223 121 L C 1.075 177.996 176.870 0.085 0.000 1.079 121 L CA -0.151 54.646 54.840 -0.072 0.000 0.857 121 L CB -0.032 42.005 42.059 -0.037 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.816 119.268 119.950 0.223 0.000 2.535 122 F HA 0.037 4.564 4.527 0.001 0.000 0.332 122 F C 0.720 176.697 175.800 0.295 0.000 1.208 122 F CA -0.920 57.207 58.000 0.211 0.000 1.330 122 F CB 0.170 39.220 39.000 0.083 0.000 1.167 122 F HN -0.206 nan 8.300 nan 0.000 0.597 123 C N 3.890 123.489 119.300 0.499 0.000 2.814 123 C HA 0.652 5.113 4.460 0.001 0.000 0.269 123 C C -0.541 174.571 174.990 0.203 0.000 1.090 123 C CA -0.689 58.537 59.018 0.346 0.000 1.492 123 C CB -1.466 26.426 27.740 0.253 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 0.163 0.000 2.763 124 V HA 0.337 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 0.792 63.133 62.300 0.067 0.000 1.138 124 V CB 1.274 33.108 31.823 0.017 0.000 0.940 124 V HN 0.852 nan 8.190 nan 0.000 0.489 125 T N 3.501 118.079 114.554 0.040 0.000 3.011 125 T HA 0.514 4.865 4.350 0.001 0.000 0.303 125 T C -0.692 173.939 174.700 -0.115 0.000 0.997 125 T CA -0.357 61.760 62.100 0.028 0.000 1.007 125 T CB 1.523 70.484 68.868 0.154 0.000 1.017 125 T HN 0.456 nan 8.240 nan 0.000 0.443 126 V N 3.675 123.459 119.914 -0.217 0.000 2.459 126 V HA 0.445 4.566 4.120 0.001 0.000 0.295 126 V C 0.576 176.511 176.094 -0.265 0.000 1.029 126 V CA -1.218 60.902 62.300 -0.301 0.000 0.874 126 V CB 1.547 33.074 31.823 -0.493 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.560 124.060 118.700 -0.334 0.000 2.417 127 N HA 0.055 4.795 4.740 0.001 0.000 0.272 127 N C -1.442 173.816 175.510 -0.419 0.000 1.304 127 N CA -1.070 51.705 53.050 -0.459 0.000 0.906 127 N CB 1.205 39.229 38.487 -0.771 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 -0.540 176.805 177.300 0.076 0.000 1.157 128 P CA 1.023 64.125 63.100 0.002 0.000 0.863 128 P CB 0.095 31.755 31.700 -0.068 0.000 0.787 132 L N 5.512 125.976 121.223 -1.265 0.000 2.445 132 L HA 0.546 4.887 4.340 0.001 0.000 0.262 132 L C -1.744 174.077 176.870 -1.749 0.000 0.974 132 L CA -1.839 52.250 54.840 -1.251 0.000 0.822 132 L CB 2.699 44.271 42.059 -0.812 0.000 1.339 132 L HN 0.211 nan 8.230 nan 0.000 0.409 133 P HA 0.031 nan 4.420 nan 0.000 0.258 133 P C 1.046 178.306 177.300 -0.066 0.000 1.319 133 P CA 0.310 63.159 63.100 -0.418 0.000 0.785 133 P CB 0.200 31.951 31.700 0.085 0.000 1.252 134 V N -1.478 118.408 119.914 -0.045 0.000 2.719 134 V HA -0.162 3.959 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 1.509 63.988 62.300 0.298 0.000 1.086 134 V CB -1.279 30.742 31.823 0.330 0.000 0.700 134 V HN 0.076 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 4.782 4.550 0.001 0.000 0.286 135 Y C 1.170 177.232 175.900 0.270 0.000 1.188 135 Y CA -1.164 57.142 58.100 0.343 0.000 1.286 135 Y CB -1.348 37.245 38.460 0.222 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.247 122.156 118.700 0.349 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 0.144 0.000 1.267 136 N CA -0.928 52.270 53.050 0.247 0.000 0.864 136 N CB 0.637 39.260 38.487 0.226 0.000 1.063 136 N HN 0.038 nan 8.380 nan 0.000 0.474 140 V N 1.099 120.833 119.914 -0.299 0.000 2.277 140 V HA -0.352 3.769 4.120 0.001 0.000 0.255 140 V C 2.309 178.312 176.094 -0.152 0.000 1.074 140 V CA 3.121 65.191 62.300 -0.384 0.000 1.058 140 V CB -0.507 31.128 31.823 -0.313 0.000 0.656 140 V HN 0.485 nan 8.190 nan 0.000 0.449 141 L N -0.176 120.955 121.223 -0.153 0.000 2.044 141 L HA -0.018 4.323 4.340 0.001 0.000 0.205 141 L C 2.626 179.414 176.870 -0.137 0.000 1.075 141 L CA 2.046 56.806 54.840 -0.132 0.000 0.747 141 L CB -1.203 40.771 42.059 -0.142 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.082 121.594 122.820 -0.241 0.000 1.917 142 A HA -0.268 4.052 4.320 0.001 0.000 0.219 142 A C 2.067 179.498 177.584 -0.255 0.000 1.182 142 A CA 1.848 53.634 52.037 -0.418 0.000 0.633 142 A CB -1.066 17.367 19.000 -0.946 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.023 119.258 120.300 -0.032 0.000 2.529 143 Y HA 0.175 4.725 4.550 0.001 0.000 0.290 143 Y C 1.040 176.979 175.900 0.066 0.000 1.177 143 Y CA 0.287 58.429 58.100 0.070 0.000 1.305 143 Y CB -0.054 38.459 38.460 0.089 0.000 1.047 143 Y HN 0.154 nan 8.280 nan 0.000 0.522 144 R N 0.777 121.360 120.500 0.138 0.000 2.242 144 R HA 0.375 4.715 4.340 0.001 0.000 0.334 144 R C 0.771 177.109 176.300 0.064 0.000 1.071 144 R CA 0.106 56.264 56.100 0.098 0.000 0.922 144 R CB -0.389 29.916 30.300 0.009 0.000 1.023 144 R HN 0.396 nan 8.270 nan 0.000 0.458 145 G N 2.755 111.609 108.800 0.089 0.000 2.132 145 G HA2 -0.252 3.709 3.960 0.001 0.000 0.234 145 G HA3 -0.252 3.709 3.960 0.001 0.000 0.234 145 G C -0.459 174.470 174.900 0.048 0.000 0.989 145 G CA 0.094 45.228 45.100 0.058 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.158 121.607 120.400 0.083 0.000 2.265 146 K HA 0.536 4.857 4.320 0.001 0.000 0.267 146 K C 0.639 177.300 176.600 0.101 0.000 0.994 146 K CA -0.745 55.598 56.287 0.094 0.000 0.860 146 K CB 0.870 33.456 32.500 0.143 0.000 1.099 146 K HN 0.089 nan 8.250 nan 0.000 0.448 147 K N 1.808 122.244 120.400 0.060 0.000 2.336 147 K HA 0.011 4.331 4.320 0.001 0.000 0.262 147 K C 0.971 177.644 176.600 0.121 0.000 0.992 147 K CA 0.011 56.331 56.287 0.053 0.000 0.927 147 K CB 0.309 32.827 32.500 0.029 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.473 121.044 120.500 0.118 0.000 2.369 148 R HA -0.098 4.243 4.340 0.001 0.000 0.200 148 R C 0.497 176.899 176.300 0.170 0.000 1.046 148 R CA 1.086 57.289 56.100 0.170 0.000 1.057 148 R CB -0.125 30.223 30.300 0.081 0.000 0.888 148 R HN 0.483 nan 8.270 nan 0.000 0.474 149 Q N 0.470 120.347 119.800 0.130 0.000 2.352 149 Q HA 0.093 4.434 4.340 0.001 0.000 0.212 149 Q C 0.811 176.889 176.000 0.129 0.000 0.888 149 Q CA 0.421 56.299 55.803 0.125 0.000 0.934 149 Q CB 0.707 29.505 28.738 0.101 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.274 120.551 120.200 0.130 0.000 2.478 150 E HA 0.245 4.595 4.350 0.001 0.000 0.194 150 E C -0.126 176.555 176.600 0.135 0.000 1.045 150 E CA 0.165 56.633 56.400 0.115 0.000 0.868 150 E CB 0.651 30.407 29.700 0.094 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.682 124.616 122.820 0.189 0.000 2.587 151 A HA 0.524 4.845 4.320 0.001 0.000 0.293 151 A C -2.785 174.969 177.584 0.283 0.000 1.087 151 A CA -1.555 50.606 52.037 0.207 0.000 0.692 151 A CB 1.138 20.269 19.000 0.218 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 -2.753 174.704 177.300 0.262 0.000 1.240 152 P CA -1.391 61.816 63.100 0.178 0.000 0.791 152 P CB -0.645 31.060 31.700 0.009 0.000 0.978 153 P HA 0.033 nan 4.420 nan 0.000 0.258 153 P C -0.414 176.815 177.300 -0.118 0.000 1.187 153 P CA 1.192 64.087 63.100 -0.342 0.000 0.767 153 P CB -0.252 31.080 31.700 -0.614 0.000 0.770 154 H N 1.611 120.411 119.070 -0.450 0.000 3.094 154 H HA 0.208 4.765 4.556 0.001 0.000 0.335 154 H C 0.709 175.500 175.328 -0.894 0.000 1.254 154 H CA -0.778 54.761 56.048 -0.850 0.000 1.240 154 H CB 1.364 30.655 29.762 -0.785 0.000 1.936 154 H HN 0.124 nan 8.280 nan 0.000 0.536 155 I N 2.457 122.303 120.570 -1.208 0.000 2.361 155 I HA -0.261 3.909 4.170 0.001 0.000 0.251 155 I C 1.185 176.618 176.117 -1.139 0.000 1.133 155 I CA 1.300 61.963 61.300 -1.061 0.000 1.413 155 I CB -0.048 37.271 38.000 -1.136 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.519 118.572 119.950 -1.431 0.000 2.502 156 F HA -0.127 4.401 4.527 0.001 0.000 0.298 156 F C 2.698 177.951 175.800 -0.911 0.000 1.111 156 F CA 0.708 57.913 58.000 -1.326 0.000 1.445 156 F CB -0.777 37.456 39.000 -1.277 0.000 1.081 156 F HN -0.050 nan 8.300 nan 0.000 0.558 157 S N 0.378 115.677 115.700 -0.667 0.000 2.355 157 S HA -0.148 4.322 4.470 0.001 0.000 0.222 157 S C 2.156 176.669 174.600 -0.144 0.000 1.031 157 S CA 1.096 59.160 58.200 -0.227 0.000 0.993 157 S CB -0.371 62.845 63.200 0.027 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.506 121.959 120.570 -0.195 0.000 2.142 158 I HA -0.174 3.996 4.170 0.001 0.000 0.240 158 I C 2.667 178.664 176.117 -0.201 0.000 1.078 158 I CA 1.662 62.877 61.300 -0.142 0.000 1.343 158 I CB -0.466 37.474 38.000 -0.100 0.000 1.046 158 I HN 0.405 nan 8.210 nan 0.000 0.405 159 S N -0.820 114.699 115.700 -0.301 0.000 2.442 159 S HA -0.238 4.232 4.470 0.001 0.000 0.236 159 S C 1.903 176.411 174.600 -0.154 0.000 1.007 159 S CA 1.677 59.703 58.200 -0.291 0.000 0.965 159 S CB -0.396 62.399 63.200 -0.675 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.751 121.072 120.400 -0.132 0.000 2.259 160 D HA 0.020 4.660 4.640 0.001 0.000 0.216 160 D C 1.766 178.159 176.300 0.155 0.000 0.961 160 D CA 0.387 54.456 54.000 0.116 0.000 0.878 160 D CB -0.289 40.602 40.800 0.151 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.878 119.611 118.700 0.056 0.000 2.149 161 N HA -0.152 4.589 4.740 0.001 0.000 0.188 161 N C 1.854 177.483 175.510 0.199 0.000 1.019 161 N CA 0.998 54.083 53.050 0.059 0.000 0.857 161 N CB 0.041 38.577 38.487 0.082 0.000 0.997 161 N HN 0.156 nan 8.380 nan 0.000 0.426 162 A N 0.963 123.818 122.820 0.059 0.000 1.851 162 A HA -0.229 4.091 4.320 0.001 0.000 0.216 162 A C 2.097 179.822 177.584 0.235 0.000 1.195 162 A CA 1.285 53.358 52.037 0.060 0.000 0.622 162 A CB -1.213 17.835 19.000 0.080 0.000 0.831 162 A HN 0.377 nan 8.150 nan 0.000 0.444 163 Y N 0.545 120.935 120.300 0.150 0.000 2.081 163 Y HA -0.309 4.242 4.550 0.001 0.000 0.280 163 Y C 2.656 178.563 175.900 0.011 0.000 1.163 163 Y CA 2.296 60.432 58.100 0.059 0.000 1.135 163 Y CB -0.676 37.875 38.460 0.151 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.162 118.696 119.800 0.097 0.000 1.927 164 Q HA -0.256 4.084 4.340 0.001 0.000 0.210 164 Q C 2.180 178.132 176.000 -0.080 0.000 1.001 164 Q CA 2.133 57.894 55.803 -0.071 0.000 0.862 164 Q CB -0.703 27.938 28.738 -0.162 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.721 120.657 119.950 -0.024 0.000 2.141 165 F HA -0.322 4.206 4.527 0.001 0.000 0.300 165 F C 2.375 178.119 175.800 -0.092 0.000 1.079 165 F CA 1.470 59.475 58.000 0.007 0.000 1.264 165 F CB -0.548 38.525 39.000 0.122 0.000 1.011 165 F HN 0.246 nan 8.300 nan 0.000 0.487 166 M N -0.322 119.310 119.600 0.053 0.000 2.059 166 M HA -0.234 4.247 4.480 0.001 0.000 0.259 166 M C 2.084 178.150 176.300 -0.391 0.000 1.072 166 M CA 2.042 57.218 55.300 -0.206 0.000 1.117 166 M CB -0.452 31.990 32.600 -0.265 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.850 120.153 121.223 -0.367 0.000 2.156 167 L HA -0.108 4.232 4.340 0.001 0.000 0.208 167 L C 2.300 179.062 176.870 -0.180 0.000 1.095 167 L CA 1.255 55.913 54.840 -0.303 0.000 0.770 167 L CB -1.359 40.543 42.059 -0.261 0.000 0.914 167 L HN 0.273 nan 8.230 nan 0.000 0.439 168 T N -0.305 114.181 114.554 -0.115 0.000 2.701 168 T HA -0.130 4.221 4.350 0.001 0.000 0.263 168 T C 1.299 175.986 174.700 -0.022 0.000 1.040 168 T CA 1.727 63.798 62.100 -0.050 0.000 1.147 168 T CB -0.216 68.634 68.868 -0.030 0.000 0.865 168 T HN 0.366 nan 8.240 nan 0.000 0.426 169 D N 0.324 120.728 120.400 0.008 0.000 2.348 169 D HA 0.098 4.739 4.640 0.001 0.000 0.211 169 D C 0.621 176.867 176.300 -0.089 0.000 0.998 169 D CA 0.069 54.067 54.000 -0.004 0.000 0.873 169 D CB -0.060 40.771 40.800 0.052 0.000 0.925 169 D HN 0.250 nan 8.370 nan 0.000 0.524 170 R N 0.480 120.849 120.500 -0.218 0.000 3.531 170 R HA -0.153 4.187 4.340 0.001 0.000 0.280 170 R C -0.618 175.527 176.300 -0.257 0.000 1.130 170 R CA 0.663 56.561 56.100 -0.337 0.000 0.757 170 R CB -2.292 27.957 30.300 -0.086 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 -0.264 0.000 2.299 171 E HA 0.360 4.711 4.350 0.001 0.000 0.265 171 E C -0.164 176.325 176.600 -0.184 0.000 0.911 171 E CA -1.065 55.248 56.400 -0.146 0.000 0.789 171 E CB 1.280 30.926 29.700 -0.089 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.482 120.086 118.700 -0.159 0.000 2.445 172 N HA 0.183 4.924 4.740 0.001 0.000 0.264 172 N C -0.366 175.005 175.510 -0.233 0.000 1.227 172 N CA -0.326 52.533 53.050 -0.319 0.000 0.963 172 N CB 0.976 39.001 38.487 -0.769 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.399 119.238 119.800 -0.272 0.000 2.495 173 Q HA 0.620 4.960 4.340 0.001 0.000 0.283 173 Q C -1.054 174.916 176.000 -0.051 0.000 1.097 173 Q CA -0.679 55.074 55.803 -0.083 0.000 0.836 173 Q CB 1.863 30.607 28.738 0.010 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.647 115.078 115.700 0.042 0.000 2.565 174 S HA 0.802 5.273 4.470 0.001 0.000 0.269 174 S C -1.406 173.243 174.600 0.082 0.000 1.153 174 S CA -0.729 57.531 58.200 0.100 0.000 0.835 174 S CB 0.783 64.064 63.200 0.135 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.402 122.044 120.570 0.121 0.000 2.512 175 I HA 0.396 4.566 4.170 0.001 0.000 0.287 175 I C -1.668 174.521 176.117 0.119 0.000 1.069 175 I CA -0.488 60.876 61.300 0.107 0.000 1.056 175 I CB 1.853 39.940 38.000 0.145 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.799 129.069 121.223 0.079 0.000 2.277 176 L HA 0.515 4.856 4.340 0.001 0.000 0.284 176 L C -0.402 176.578 176.870 0.182 0.000 1.028 176 L CA -0.044 54.883 54.840 0.146 0.000 0.835 176 L CB 0.722 42.880 42.059 0.165 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.360 123.022 120.570 0.153 0.000 2.353 177 I HA 0.585 4.756 4.170 0.001 0.000 0.293 177 I C 0.418 176.600 176.117 0.108 0.000 0.992 177 I CA 0.301 61.675 61.300 0.123 0.000 1.268 177 I CB 1.633 39.695 38.000 0.103 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 0.080 0.000 3.012 178 T HA 0.769 5.119 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 1.561 110.377 108.800 0.027 0.000 2.356 179 G HA2 0.505 4.466 3.960 0.001 0.000 0.294 179 G HA3 0.505 4.466 3.960 0.001 0.000 0.294 179 G C -1.557 173.359 174.900 0.027 0.000 1.423 179 G CA -0.870 44.237 45.100 0.011 0.000 0.806 179 G HN 0.691 nan 8.290 nan 0.000 0.527 180 E N 0.208 120.423 120.200 0.024 0.000 2.391 180 E HA 0.287 4.637 4.350 0.001 0.000 0.255 180 E C 1.202 177.833 176.600 0.050 0.000 1.187 180 E CA 0.110 56.536 56.400 0.043 0.000 0.941 180 E CB 1.129 30.855 29.700 0.044 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.846 116.586 115.700 0.068 0.000 2.399 181 S HA -0.217 4.254 4.470 0.001 0.000 0.235 181 S C 1.590 176.225 174.600 0.059 0.000 1.063 181 S CA 1.974 60.212 58.200 0.063 0.000 1.070 181 S CB -0.476 62.766 63.200 0.071 0.000 0.904 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.970 107.869 108.800 0.066 0.000 3.126 182 G HA2 0.455 4.416 3.960 0.001 0.000 0.224 182 G HA3 0.455 4.416 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 0.587 45.739 45.100 0.087 0.000 0.759 182 G HN 0.570 nan 8.290 nan 0.000 0.550 183 A N 0.334 123.178 122.820 0.041 0.000 2.070 183 A HA 0.380 4.701 4.320 0.001 0.000 0.220 183 A C 1.933 179.516 177.584 -0.001 0.000 1.159 183 A CA 1.495 53.534 52.037 0.003 0.000 0.656 183 A CB -0.538 18.457 19.000 -0.008 0.000 0.800 183 A HN 1.630 nan 8.150 nan 0.000 0.453 184 G N -0.566 108.253 108.800 0.031 0.000 2.452 184 G HA2 -0.225 3.735 3.960 0.001 0.000 0.275 184 G HA3 -0.225 3.735 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 0.507 45.630 45.100 0.039 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.490 119.937 120.400 0.044 0.000 2.067 185 K HA 0.017 4.338 4.320 0.001 0.000 0.203 185 K C 2.561 179.197 176.600 0.062 0.000 1.048 185 K CA 1.480 57.798 56.287 0.051 0.000 0.954 185 K CB -0.452 32.076 32.500 0.046 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.156 116.742 114.554 0.053 0.000 2.649 186 T HA -0.195 4.156 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 2.025 64.164 62.100 0.064 0.000 1.157 186 T CB -0.902 68.001 68.868 0.058 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.687 122.657 119.914 0.092 0.000 2.282 187 V HA -0.261 3.860 4.120 0.001 0.000 0.249 187 V C 2.493 178.671 176.094 0.140 0.000 1.057 187 V CA 1.900 64.268 62.300 0.114 0.000 1.032 187 V CB -0.815 31.067 31.823 0.098 0.000 0.645 187 V HN 0.447 nan 8.190 nan 0.000 0.447 188 N N 0.241 119.010 118.700 0.115 0.000 2.106 188 N HA -0.066 4.675 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 1.405 54.504 53.050 0.082 0.000 0.848 188 N CB -0.605 37.913 38.487 0.052 0.000 1.007 188 N HN 0.572 nan 8.380 nan 0.000 0.423 192 V N 1.743 121.654 119.914 -0.005 0.000 2.379 192 V HA -0.172 3.948 4.120 0.001 0.000 0.245 192 V C 2.136 178.319 176.094 0.149 0.000 1.044 192 V CA 1.907 64.188 62.300 -0.033 0.000 1.036 192 V CB -0.336 31.500 31.823 0.023 0.000 0.664 192 V HN 0.250 nan 8.190 nan 0.000 0.453 193 I N 0.122 120.822 120.570 0.218 0.000 2.163 193 I HA -0.284 3.886 4.170 0.001 0.000 0.243 193 I C 2.780 179.049 176.117 0.254 0.000 1.085 193 I CA 1.670 63.143 61.300 0.288 0.000 1.347 193 I CB -0.936 37.189 38.000 0.208 0.000 1.044 193 I HN 0.440 nan 8.210 nan 0.000 0.408 194 Q N 0.088 120.007 119.800 0.200 0.000 2.077 194 Q HA -0.288 4.052 4.340 0.001 0.000 0.206 194 Q C 2.213 178.303 176.000 0.149 0.000 0.989 194 Q CA 2.014 57.921 55.803 0.172 0.000 0.853 194 Q CB -0.939 27.910 28.738 0.186 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 0.032 0.000 2.069 195 Y HA -0.305 4.246 4.550 0.001 0.000 0.278 195 Y C 2.058 177.839 175.900 -0.198 0.000 1.175 195 Y CA 1.705 59.747 58.100 -0.097 0.000 1.134 195 Y CB -0.527 37.813 38.460 -0.199 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.480 119.586 119.950 0.194 0.000 2.069 196 F HA -0.217 4.311 4.527 0.001 0.000 0.298 196 F C 2.634 178.468 175.800 0.057 0.000 1.113 196 F CA 1.440 59.523 58.000 0.139 0.000 1.214 196 F CB -1.433 37.798 39.000 0.386 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.115 123.080 122.820 0.242 0.000 1.883 197 A HA -0.238 4.083 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 2.766 54.886 52.037 0.139 0.000 0.624 197 A CB -1.480 17.584 19.000 0.108 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.719 115.241 114.554 -0.052 0.000 2.569 198 T HA -0.188 4.162 4.350 0.001 0.000 0.263 198 T C 1.823 176.410 174.700 -0.189 0.000 1.074 198 T CA 1.435 63.460 62.100 -0.126 0.000 1.176 198 T CB -0.973 67.788 68.868 -0.179 0.000 0.863 198 T HN 0.810 nan 8.240 nan 0.000 0.410 199 I N 0.228 120.570 120.570 -0.380 0.000 3.233 199 I HA 0.283 4.453 4.170 0.001 0.000 0.287 199 I C 0.883 176.838 176.117 -0.269 0.000 1.329 199 I CA 0.907 61.962 61.300 -0.408 0.000 1.385 199 I CB -0.834 36.752 38.000 -0.690 0.000 1.053 199 I HN 0.347 nan 8.210 nan 0.000 0.525 200 A N 0.316 123.072 122.820 -0.106 0.000 3.318 200 A HA 0.755 5.075 4.320 0.001 0.000 0.209 200 A C 0.155 177.825 177.584 0.144 0.000 1.102 200 A CA 0.059 52.124 52.037 0.047 0.000 1.128 200 A CB -0.619 18.429 19.000 0.081 0.000 1.310 200 A HN 0.497 nan 8.150 nan 0.000 0.726 201 A N 0.203 123.067 122.820 0.075 0.000 3.804 201 A HA 0.937 5.257 4.320 0.001 0.000 0.174 201 A C 0.865 178.485 177.584 0.060 0.000 1.510 201 A CA 0.453 52.535 52.037 0.074 0.000 1.542 201 A CB -0.225 18.800 19.000 0.042 0.000 1.611 201 A HN 2.183 nan 8.150 nan 0.000 0.626 202 S N -2.370 113.354 115.700 0.039 0.000 3.956 202 S HA 0.043 4.513 4.470 0.001 0.000 0.685 202 S C 0.450 175.069 174.600 0.033 0.000 0.569 202 S CA 0.940 59.160 58.200 0.034 0.000 1.348 202 S CB -1.692 61.534 63.200 0.044 0.000 0.726 202 S HN 2.285 nan 8.310 nan 0.000 0.895 203 G N 1.142 109.957 108.800 0.024 0.000 3.042 203 G HA2 0.469 4.430 3.960 0.001 0.000 0.212 203 G HA3 0.469 4.430 3.960 0.001 0.000 0.212 203 G C 0.719 175.628 174.900 0.014 0.000 1.166 203 G CA 0.664 45.775 45.100 0.018 0.000 0.767 203 G HN 1.039 nan 8.290 nan 0.000 0.546 204 E N -0.553 119.656 120.200 0.015 0.000 4.277 204 E HA -0.373 3.978 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 -0.954 28.753 29.700 0.012 0.000 1.841 204 E HN 0.444 nan 8.360 nan 0.000 0.373 205 K N 1.023 121.427 120.400 0.007 0.000 2.116 205 K HA 0.008 4.328 4.320 0.001 0.000 0.203 205 K C 1.863 178.466 176.600 0.006 0.000 1.052 205 K CA 1.149 57.440 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 1.053 121.457 120.400 0.006 0.000 2.439 206 K HA -0.038 4.283 4.320 0.001 0.000 0.197 206 K C 1.526 178.132 176.600 0.009 0.000 1.041 206 K CA 0.696 56.987 56.287 0.007 0.000 0.970 206 K CB 0.140 32.644 32.500 0.006 0.000 0.773 206 K HN 0.094 nan 8.250 nan 0.000 0.479 207 K N 1.226 121.631 120.400 0.009 0.000 2.288 207 K HA -0.041 4.280 4.320 0.001 0.000 0.201 207 K C 0.221 176.826 176.600 0.009 0.000 1.048 207 K CA 0.613 56.906 56.287 0.009 0.000 0.956 207 K CB 0.088 32.593 32.500 0.009 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 4.328 4.350 0.001 0.000 0.261 208 E C -0.541 176.064 176.600 0.009 0.000 1.074 208 E CA 0.041 56.446 56.400 0.008 0.000 0.917 208 E CB 0.498 30.202 29.700 0.007 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.119 122.324 120.200 0.009 0.000 2.148 209 E HA -0.011 4.339 4.350 0.001 0.000 0.308 209 E C -0.704 175.902 176.600 0.009 0.000 1.278 209 E CA 0.181 56.587 56.400 0.010 0.000 1.368 209 E CB -0.053 29.653 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 0.010 0.000 3.147 210 Q HA 0.092 4.433 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 1.495 30.238 28.738 0.008 0.000 1.363 210 Q HN 0.502 nan 8.270 nan 0.000 0.467 211 S N -1.285 114.422 115.700 0.012 0.000 3.635 211 S HA -0.192 4.278 4.470 0.001 0.000 0.328 211 S C 0.494 175.103 174.600 0.015 0.000 1.135 211 S CA 0.361 58.570 58.200 0.014 0.000 0.942 211 S CB -2.226 60.981 63.200 0.013 0.000 0.930 211 S HN 0.843 nan 8.310 nan 0.000 0.512 212 G N 0.810 109.619 108.800 0.015 0.000 2.225 212 G HA2 0.364 4.325 3.960 0.001 0.000 0.245 212 G HA3 0.364 4.325 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 0.265 45.375 45.100 0.016 0.000 0.919 212 G HN 0.938 nan 8.290 nan 0.000 0.486 213 K N -0.081 120.331 120.400 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 0.025 0.000 1.324 213 K CA 0.873 57.175 56.287 0.025 0.000 0.976 213 K CB -1.109 31.410 32.500 0.031 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.555 121.168 119.600 0.021 0.000 2.157 214 M HA 0.109 4.589 4.480 0.001 0.000 0.304 214 M C 0.801 177.112 176.300 0.018 0.000 1.171 214 M CA 0.531 55.844 55.300 0.022 0.000 1.157 214 M CB 0.039 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 0.031 119.842 119.800 0.019 0.000 2.315 215 Q HA 0.290 4.631 4.340 0.001 0.000 0.289 215 Q C 0.839 176.842 176.000 0.004 0.000 1.044 215 Q CA 0.993 56.803 55.803 0.012 0.000 0.920 215 Q CB 0.157 28.907 28.738 0.019 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.811 110.607 108.800 -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 0.015 174.909 174.900 -0.011 0.000 1.000 216 G CA -0.110 44.984 45.100 -0.010 0.000 0.693 216 G HN 0.561 nan 8.290 nan 0.000 0.480 217 T N 1.893 116.443 114.554 -0.008 0.000 2.909 217 T HA 0.649 5.000 4.350 0.001 0.000 0.299 217 T C -0.962 173.732 174.700 -0.009 0.000 1.073 217 T CA -0.501 61.595 62.100 -0.008 0.000 0.999 217 T CB 2.448 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 1.557 122.771 121.223 -0.015 0.000 2.296 218 L HA 0.805 5.146 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 -0.275 54.554 54.840 -0.017 0.000 0.812 218 L CB 0.647 42.683 42.059 -0.039 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.357 121.561 120.200 0.007 0.000 3.026 219 E HA -0.135 4.215 4.350 0.001 0.000 0.271 219 E C 0.302 176.921 176.600 0.031 0.000 0.499 219 E CA 0.785 57.200 56.400 0.025 0.000 1.976 219 E CB -0.564 29.152 29.700 0.027 0.000 2.815 219 E HN 0.792 nan 8.360 nan 0.000 0.619 220 D N 0.504 120.917 120.400 0.021 0.000 2.414 220 D HA -0.015 4.626 4.640 0.001 0.000 0.237 220 D C 1.772 178.084 176.300 0.021 0.000 0.975 220 D CA 0.987 55.003 54.000 0.025 0.000 0.917 220 D CB -0.204 40.608 40.800 0.020 0.000 1.061 220 D HN 0.238 nan 8.370 nan 0.000 0.480 221 Q N 0.989 120.791 119.800 0.004 0.000 2.077 221 Q HA -0.159 4.181 4.340 0.001 0.000 0.206 221 Q C 2.323 178.321 176.000 -0.003 0.000 0.989 221 Q CA 0.970 56.768 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 0.265 nan 8.270 nan 0.000 0.418 222 I N 1.283 121.851 120.570 -0.003 0.000 2.113 222 I HA -0.300 3.870 4.170 0.001 0.000 0.242 222 I C 2.497 178.635 176.117 0.034 0.000 1.064 222 I CA 1.537 62.840 61.300 0.006 0.000 1.320 222 I CB -0.851 37.157 38.000 0.013 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N -0.001 120.596 120.570 0.046 0.000 2.162 223 I HA -0.220 3.950 4.170 0.001 0.000 0.238 223 I C 2.551 178.707 176.117 0.065 0.000 1.076 223 I CA 1.079 62.418 61.300 0.066 0.000 1.353 223 I CB -0.704 37.338 38.000 0.069 0.000 1.063 223 I HN 0.134 nan 8.210 nan 0.000 0.408 224 S N 1.066 116.798 115.700 0.052 0.000 2.441 224 S HA -0.236 4.234 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 1.269 59.502 58.200 0.055 0.000 0.988 224 S CB -0.420 62.807 63.200 0.044 0.000 0.778 224 S HN 0.549 nan 8.310 nan 0.000 0.498 225 A N 3.228 126.077 122.820 0.050 0.000 1.859 225 A HA -0.261 4.059 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 1.909 53.973 52.037 0.045 0.000 0.629 225 A CB -0.928 18.087 19.000 0.026 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.550 119.315 118.700 0.107 0.000 2.027 226 N HA -0.174 4.567 4.740 0.001 0.000 0.200 226 N C -0.922 174.691 175.510 0.172 0.000 1.042 226 N CA 2.049 55.191 53.050 0.154 0.000 0.871 226 N CB -2.280 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 1.550 178.934 177.300 0.140 0.000 1.145 227 P CA 0.673 63.854 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 -1.328 119.983 121.223 0.146 0.000 2.185 228 L HA 0.068 4.409 4.340 0.001 0.000 0.198 228 L C 2.100 179.150 176.870 0.300 0.000 1.079 228 L CA 1.290 56.234 54.840 0.173 0.000 0.780 228 L CB -1.442 40.668 42.059 0.084 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.486 121.844 121.223 0.225 0.000 2.051 229 L HA -0.255 4.085 4.340 0.001 0.000 0.214 229 L C 2.593 179.759 176.870 0.494 0.000 1.076 229 L CA 1.767 56.787 54.840 0.299 0.000 0.758 229 L CB -1.244 40.978 42.059 0.271 0.000 0.890 229 L HN 0.436 nan 8.230 nan 0.000 0.433 230 E N -1.105 119.343 120.200 0.412 0.000 2.153 230 E HA -0.179 4.172 4.350 0.001 0.000 0.194 230 E C 2.166 178.978 176.600 0.352 0.000 0.988 230 E CA 1.099 57.740 56.400 0.402 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 0.265 123.222 122.820 0.229 0.000 2.015 231 A HA -0.102 4.219 4.320 0.001 0.000 0.219 231 A C 1.654 179.123 177.584 -0.191 0.000 1.163 231 A CA 1.021 53.062 52.037 0.006 0.000 0.646 231 A CB -0.331 18.502 19.000 -0.280 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.243 118.793 119.950 0.144 0.000 2.559 232 F HA 0.253 4.780 4.527 0.001 0.000 0.286 232 F C 2.256 178.006 175.800 -0.084 0.000 1.108 232 F CA 0.726 58.759 58.000 0.054 0.000 1.436 232 F CB -0.043 38.978 39.000 0.035 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.750 108.270 108.800 0.367 0.000 3.393 233 G HA2 0.161 4.121 3.960 0.001 0.000 0.255 233 G HA3 0.161 4.121 3.960 0.001 0.000 0.255 233 G C -0.300 175.063 174.900 0.771 0.000 1.097 233 G CA -0.037 45.295 45.100 0.386 0.000 0.780 233 G HN 0.071 nan 8.290 nan 0.000 0.540 234 N N -0.227 118.786 118.700 0.523 0.000 2.265 234 N HA 0.825 5.566 4.740 0.001 0.000 0.300 234 N C -0.326 174.976 175.510 -0.346 0.000 1.148 234 N CA -0.006 53.140 53.050 0.160 0.000 0.772 234 N CB 2.327 40.927 38.487 0.188 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.092 120.982 119.914 -0.039 0.000 2.913 238 V HA -0.041 4.080 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 1.757 64.035 62.300 -0.037 0.000 1.121 238 V CB -0.499 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 -0.521 119.977 120.500 -0.004 0.000 2.087 239 R HA 0.162 4.503 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 0.367 56.477 56.100 0.017 0.000 1.022 239 R CB -0.073 30.249 30.300 0.038 0.000 0.920 239 R HN 0.428 nan 8.270 nan 0.000 0.451 240 N N 0.070 118.792 118.700 0.036 0.000 2.483 240 N HA 0.050 4.791 4.740 0.001 0.000 0.285 240 N C -0.398 175.135 175.510 0.040 0.000 1.210 240 N CA -0.112 52.970 53.050 0.054 0.000 0.931 240 N CB 1.602 40.129 38.487 0.068 0.000 1.220 240 N HN -0.153 nan 8.380 nan 0.000 0.542 241 D N -0.590 119.842 120.400 0.054 0.000 2.423 241 D HA 0.118 4.759 4.640 0.001 0.000 0.208 241 D C -0.395 175.974 176.300 0.114 0.000 1.068 241 D CA 0.526 54.557 54.000 0.052 0.000 0.860 241 D CB 0.190 41.005 40.800 0.025 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 4.842 4.740 0.001 0.000 0.283 242 N C -1.401 174.193 175.510 0.141 0.000 1.851 242 N CA -0.059 53.116 53.050 0.208 0.000 0.826 242 N CB 0.655 39.256 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 0.268 4.739 4.470 0.001 0.000 0.276 243 S C 0.109 174.728 174.600 0.032 0.000 1.326 243 S CA -0.195 58.033 58.200 0.047 0.000 1.045 243 S CB 0.490 63.703 63.200 0.023 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.270 118.963 115.700 -0.012 0.000 2.430 244 S HA 0.207 4.677 4.470 0.001 0.000 0.282 244 S C 0.936 175.493 174.600 -0.071 0.000 1.186 244 S CA -0.489 57.638 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 3.380 123.935 120.500 0.091 0.000 2.480 245 R HA 0.198 4.539 4.340 0.001 0.000 0.277 245 R C -0.430 176.059 176.300 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 0.202 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.768 116.257 119.950 0.124 0.000 2.741 246 F HA 0.708 5.236 4.527 0.001 0.000 0.313 246 F C -0.249 175.663 175.800 0.187 0.000 1.153 246 F CA -1.531 56.548 58.000 0.132 0.000 0.931 246 F CB 0.529 39.587 39.000 0.098 0.000 1.335 246 F HN -0.135 nan 8.300 nan 0.000 0.460 250 I N 5.512 125.923 120.570 -0.265 0.000 2.359 250 I HA 0.539 4.710 4.170 0.001 0.000 0.294 250 I C -0.240 175.563 176.117 -0.523 0.000 0.987 250 I CA -0.729 60.389 61.300 -0.303 0.000 1.225 250 I CB 1.783 39.720 38.000 -0.106 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.992 126.230 120.500 -0.437 0.000 2.275 251 R HA 0.530 4.870 4.340 0.001 0.000 0.326 251 R C -1.030 175.080 176.300 -0.317 0.000 0.973 251 R CA -0.483 55.324 56.100 -0.487 0.000 0.854 251 R CB 0.997 30.868 30.300 -0.716 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.475 123.886 120.570 -0.266 0.000 2.322 252 I HA 0.110 4.280 4.170 0.001 0.000 0.292 252 I C -0.048 175.800 176.117 -0.448 0.000 1.060 252 I CA -0.374 60.706 61.300 -0.367 0.000 1.309 252 I CB 0.527 38.241 38.000 -0.478 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.469 125.348 119.070 -0.318 0.000 2.846 253 H HA 0.318 4.875 4.556 0.001 0.000 0.278 253 H C -0.548 174.625 175.328 -0.258 0.000 1.117 253 H CA -0.083 55.881 56.048 -0.139 0.000 1.406 253 H CB 0.168 29.877 29.762 -0.089 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.013 121.069 119.950 0.175 0.000 2.380 254 F HA 0.319 4.847 4.527 0.001 0.000 0.325 254 F C 1.602 177.456 175.800 0.090 0.000 1.136 254 F CA 0.036 58.131 58.000 0.158 0.000 1.171 254 F CB 0.798 39.928 39.000 0.217 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.242 109.201 108.800 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 0.698 175.607 174.900 0.016 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 -1.445 121.365 122.820 -0.018 0.000 1.903 256 A HA 0.081 4.402 4.320 0.001 0.000 0.213 256 A C 2.553 180.176 177.584 0.065 0.000 1.185 256 A CA 2.347 54.363 52.037 -0.036 0.000 0.628 256 A CB -1.137 17.845 19.000 -0.029 0.000 0.830 256 A HN 0.835 nan 8.150 nan 0.000 0.446 257 T N -3.140 111.458 114.554 0.073 0.000 2.622 257 T HA 0.232 4.582 4.350 0.001 0.000 0.266 257 T C 1.525 176.294 174.700 0.116 0.000 1.047 257 T CA 2.051 64.203 62.100 0.087 0.000 1.159 257 T CB -0.597 68.322 68.868 0.086 0.000 0.863 257 T HN 1.523 nan 8.240 nan 0.000 0.422 258 G N 0.230 109.130 108.800 0.165 0.000 2.870 258 G HA2 0.020 3.980 3.960 0.001 0.000 0.216 258 G HA3 0.020 3.980 3.960 0.001 0.000 0.216 258 G C -0.176 174.944 174.900 0.366 0.000 0.973 258 G CA -0.587 44.635 45.100 0.203 0.000 0.807 258 G HN 0.501 nan 8.290 nan 0.000 0.573 259 K N 0.982 121.562 120.400 0.300 0.000 2.110 259 K HA 0.534 4.855 4.320 0.001 0.000 0.263 259 K C 0.869 177.665 176.600 0.327 0.000 0.975 259 K CA -0.795 55.675 56.287 0.306 0.000 0.895 259 K CB 1.931 34.538 32.500 0.178 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.496 122.909 121.223 0.317 0.000 2.640 260 L HA -0.247 4.094 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 0.059 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.742 124.531 122.820 -0.052 0.000 1.895 261 A HA 0.385 4.706 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 -1.946 113.705 115.700 -0.082 0.000 2.611 262 S HA 0.759 5.230 4.470 0.001 0.000 0.268 262 S C -0.621 173.955 174.600 -0.040 0.000 1.156 262 S CA -0.093 58.054 58.200 -0.088 0.000 0.817 262 S CB 1.544 64.636 63.200 -0.180 0.000 1.122 262 S HN 1.479 nan 8.310 nan 0.000 0.466 263 A N 0.481 123.274 122.820 -0.045 0.000 2.532 263 A HA 0.888 5.208 4.320 0.001 0.000 0.290 263 A C -1.925 175.630 177.584 -0.048 0.000 1.143 263 A CA -0.478 51.536 52.037 -0.039 0.000 0.728 263 A CB 1.693 20.644 19.000 -0.081 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.121 121.474 120.400 -0.078 0.000 2.354 264 D HA 0.352 4.993 4.640 0.001 0.000 0.230 264 D C -1.245 174.985 176.300 -0.116 0.000 1.361 264 D CA -0.021 53.919 54.000 -0.100 0.000 0.992 264 D CB 0.852 41.595 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 -0.097 0.000 2.566 265 I HA 0.414 4.585 4.170 0.001 0.000 0.303 265 I C 0.273 176.352 176.117 -0.064 0.000 0.983 265 I CA -0.537 60.723 61.300 -0.066 0.000 1.235 265 I CB 1.814 39.776 38.000 -0.063 0.000 1.386 265 I HN 0.213 nan 8.210 nan 0.000 0.494 266 E N 2.180 122.364 120.200 -0.026 0.000 2.304 266 E HA 0.406 4.757 4.350 0.001 0.000 0.277 266 E C -1.576 174.877 176.600 -0.245 0.000 0.898 266 E CA -0.494 55.824 56.400 -0.136 0.000 0.764 266 E CB 2.152 31.783 29.700 -0.114 0.000 1.216 266 E HN 0.544 nan 8.360 nan 0.000 0.419 267 T N 2.715 117.083 114.554 -0.310 0.000 2.855 267 T HA 0.536 4.886 4.350 0.001 0.000 0.281 267 T C -1.409 173.100 174.700 -0.319 0.000 1.007 267 T CA -0.347 61.670 62.100 -0.138 0.000 1.009 267 T CB 0.418 69.323 68.868 0.062 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.880 121.359 120.300 0.299 0.000 2.442 268 Y HA 0.526 5.076 4.550 0.001 0.000 0.344 268 Y C 0.012 176.040 175.900 0.214 0.000 0.976 268 Y CA -1.720 56.525 58.100 0.243 0.000 1.040 268 Y CB 1.063 39.672 38.460 0.248 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.041 124.427 121.223 0.272 0.000 3.642 269 L HA -0.250 4.090 4.340 0.001 0.000 0.613 269 L C -0.809 176.144 176.870 0.139 0.000 1.064 269 L CA 0.228 55.142 54.840 0.123 0.000 1.039 269 L CB -0.780 41.312 42.059 0.054 0.000 1.226 269 L HN 0.496 nan 8.230 nan 0.000 0.764 270 L N 2.284 123.556 121.223 0.081 0.000 2.350 270 L HA 0.383 4.723 4.340 0.001 0.000 0.275 270 L C 0.877 177.784 176.870 0.061 0.000 1.099 270 L CA 0.376 55.243 54.840 0.045 0.000 0.808 270 L CB 1.242 43.189 42.059 -0.187 0.000 1.149 270 L HN 0.360 nan 8.230 nan 0.000 0.442 274 R N 1.707 122.238 120.500 0.052 0.000 2.091 274 R HA -0.022 4.319 4.340 0.001 0.000 0.238 274 R C 1.862 178.143 176.300 -0.031 0.000 1.136 274 R CA 1.785 57.863 56.100 -0.036 0.000 0.959 274 R CB -0.830 29.275 30.300 -0.326 0.000 0.856 274 R HN 0.331 nan 8.270 nan 0.000 0.437 275 V N 0.316 120.237 119.914 0.012 0.000 2.527 275 V HA -0.259 3.861 4.120 0.001 0.000 0.255 275 V C 1.751 177.666 176.094 -0.298 0.000 1.081 275 V CA 2.176 64.391 62.300 -0.143 0.000 1.092 275 V CB -0.463 31.202 31.823 -0.263 0.000 0.673 275 V HN 0.425 nan 8.190 nan 0.000 0.470 276 T N -2.543 111.835 114.554 -0.294 0.000 2.958 276 T HA 0.324 4.674 4.350 0.001 0.000 0.256 276 T C -0.184 174.407 174.700 -0.181 0.000 0.983 276 T CA 0.003 61.794 62.100 -0.514 0.000 0.924 276 T CB 0.356 68.961 68.868 -0.439 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.050 121.847 119.950 -0.254 0.000 2.692 277 F HA 0.631 5.158 4.527 0.001 0.000 0.320 277 F C -1.858 173.849 175.800 -0.154 0.000 1.123 277 F CA -0.892 56.997 58.000 -0.184 0.000 0.961 277 F CB 1.603 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 3.502 122.722 119.800 -0.967 0.000 2.518 278 Q HA 0.323 4.664 4.340 0.001 0.000 0.254 278 Q C -2.167 173.228 176.000 -1.009 0.000 0.962 278 Q CA -0.783 54.568 55.803 -0.753 0.000 0.982 278 Q CB 1.664 30.184 28.738 -0.364 0.000 1.516 278 Q HN 0.786 nan 8.270 nan 0.000 0.426 279 L N 2.578 123.438 121.223 -0.605 0.000 2.472 279 L HA 0.197 4.537 4.340 0.001 0.000 0.260 279 L C -1.199 175.503 176.870 -0.280 0.000 1.209 279 L CA -1.553 53.050 54.840 -0.395 0.000 0.817 279 L CB 0.241 42.194 42.059 -0.177 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.150 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 1.245 64.268 63.100 -0.128 0.000 0.822 280 P CB 0.185 31.835 31.700 -0.083 0.000 0.784 281 A N -1.381 121.378 122.820 -0.102 0.000 2.348 281 A HA 0.108 4.429 4.320 0.001 0.000 0.224 281 A C 0.870 178.395 177.584 -0.099 0.000 1.227 281 A CA -0.005 51.981 52.037 -0.086 0.000 0.885 281 A CB -0.177 18.783 19.000 -0.068 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.171 119.953 120.200 -0.127 0.000 2.469 282 E HA 0.672 5.022 4.350 0.001 0.000 0.246 282 E C -0.319 176.190 176.600 -0.152 0.000 0.969 282 E CA -1.009 55.311 56.400 -0.133 0.000 0.881 282 E CB 0.989 30.604 29.700 -0.142 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.860 119.554 120.500 -0.143 0.000 2.733 283 R HA 0.456 4.797 4.340 0.001 0.000 0.272 283 R C -0.832 175.431 176.300 -0.063 0.000 1.029 283 R CA -0.673 55.361 56.100 -0.110 0.000 0.888 283 R CB 1.609 31.786 30.300 -0.206 0.000 1.251 283 R HN 0.437 nan 8.270 nan 0.000 0.464 284 S N -0.292 115.479 115.700 0.118 0.000 2.640 284 S HA 0.298 4.769 4.470 0.001 0.000 0.262 284 S C -0.412 174.250 174.600 0.104 0.000 1.232 284 S CA -0.552 57.666 58.200 0.029 0.000 0.988 284 S CB 0.052 63.297 63.200 0.074 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.431 121.845 120.300 0.191 0.000 2.812 285 Y HA -0.024 4.527 4.550 0.001 0.000 0.348 285 Y C 2.008 177.994 175.900 0.143 0.000 1.274 285 Y CA 0.710 58.842 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 1.382 120.623 119.070 0.285 0.000 2.326 286 H HA -0.151 4.405 4.556 0.001 0.000 0.301 286 H C 2.356 177.731 175.328 0.078 0.000 1.081 286 H CA 1.671 57.855 56.048 0.225 0.000 1.334 286 H CB -0.455 29.376 29.762 0.115 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.778 121.301 120.570 -0.079 0.000 2.161 287 I HA -0.404 3.766 4.170 0.001 0.000 0.246 287 I C 1.919 177.873 176.117 -0.271 0.000 1.048 287 I CA 1.594 62.668 61.300 -0.377 0.000 1.314 287 I CB -0.290 37.162 38.000 -0.913 0.000 1.014 287 I HN -0.044 nan 8.210 nan 0.000 0.418 288 F N -0.214 119.644 119.950 -0.153 0.000 2.069 288 F HA -0.234 4.293 4.527 0.001 0.000 0.298 288 F C 2.216 177.803 175.800 -0.354 0.000 1.113 288 F CA 1.895 59.691 58.000 -0.339 0.000 1.214 288 F CB -1.316 37.319 39.000 -0.609 0.000 0.978 288 F HN 0.110 nan 8.300 nan 0.000 0.474 289 Y N -0.585 119.831 120.300 0.192 0.000 2.373 289 Y HA -0.125 4.426 4.550 0.001 0.000 0.293 289 Y C 2.453 178.382 175.900 0.047 0.000 1.129 289 Y CA 0.770 58.926 58.100 0.093 0.000 1.226 289 Y CB -1.071 37.438 38.460 0.082 0.000 1.000 289 Y HN 0.114 nan 8.280 nan 0.000 0.549 290 Q N 0.507 120.401 119.800 0.155 0.000 1.967 290 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 290 Q C 2.260 178.287 176.000 0.046 0.000 0.985 290 Q CA 2.026 57.875 55.803 0.078 0.000 0.839 290 Q CB -0.341 28.415 28.738 0.029 0.000 0.906 290 Q HN 0.442 nan 8.270 nan 0.000 0.423 291 I N 0.162 120.745 120.570 0.021 0.000 2.185 291 I HA -0.345 3.826 4.170 0.001 0.000 0.246 291 I C 2.059 178.168 176.117 -0.015 0.000 1.088 291 I CA 1.426 62.724 61.300 -0.003 0.000 1.347 291 I CB -0.224 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 0.025 119.625 119.600 -0.000 0.000 2.659 292 M HA -0.063 4.418 4.480 0.001 0.000 0.243 292 M C 2.215 178.537 176.300 0.037 0.000 1.111 292 M CA 0.731 56.034 55.300 0.006 0.000 1.070 292 M CB -0.225 32.374 32.600 -0.001 0.000 1.525 292 M HN 0.287 nan 8.290 nan 0.000 0.517 293 S N 0.296 116.021 115.700 0.042 0.000 2.402 293 S HA -0.075 4.396 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 -0.367 62.856 63.200 0.039 0.000 0.800 293 S HN 0.705 nan 8.310 nan 0.000 0.484 298 E N 1.157 121.335 120.200 -0.037 0.000 2.097 298 E HA -0.150 4.200 4.350 0.001 0.000 0.196 298 E C 1.775 178.347 176.600 -0.046 0.000 1.000 298 E CA 1.294 57.675 56.400 -0.032 0.000 0.804 298 E CB -0.635 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 0.362 121.523 121.223 -0.103 0.000 2.021 299 L HA -0.215 4.126 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 1.528 56.275 54.840 -0.156 0.000 0.760 299 L CB -0.608 41.279 42.059 -0.287 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.621 119.924 120.570 -0.042 0.000 2.208 300 I HA -0.305 3.865 4.170 0.001 0.000 0.245 300 I C 2.069 178.210 176.117 0.041 0.000 1.097 300 I CA 1.573 62.873 61.300 -0.000 0.000 1.363 300 I CB -0.388 37.616 38.000 0.007 0.000 1.051 300 I HN 0.341 nan 8.210 nan 0.000 0.413 301 D N -0.544 119.877 120.400 0.034 0.000 2.213 301 D HA -0.111 4.529 4.640 0.001 0.000 0.205 301 D C 2.119 178.463 176.300 0.074 0.000 0.961 301 D CA 0.914 54.946 54.000 0.053 0.000 0.853 301 D CB -0.062 40.759 40.800 0.036 0.000 0.967 301 D HN 0.365 nan 8.370 nan 0.000 0.496 302 M N 0.352 119.987 119.600 0.058 0.000 2.132 302 M HA -0.148 4.333 4.480 0.001 0.000 0.263 302 M C 1.332 177.712 176.300 0.134 0.000 1.065 302 M CA 1.308 56.658 55.300 0.084 0.000 1.122 302 M CB 0.178 32.797 32.600 0.031 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.257 121.550 121.223 0.116 0.000 2.446 303 L HA 0.241 4.581 4.340 0.001 0.000 0.219 303 L C 0.686 177.719 176.870 0.272 0.000 1.116 303 L CA 0.814 55.757 54.840 0.171 0.000 0.844 303 L CB -0.384 41.740 42.059 0.109 0.000 0.970 303 L HN 0.468 nan 8.230 nan 0.000 0.457 304 L N -0.521 120.832 121.223 0.217 0.000 3.487 304 L HA -0.206 4.134 4.340 0.001 0.000 0.450 304 L C -0.265 176.809 176.870 0.340 0.000 1.290 304 L CA 0.097 55.084 54.840 0.245 0.000 0.874 304 L CB -2.038 40.153 42.059 0.220 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.529 116.177 120.570 0.227 0.000 3.445 305 I HA 0.879 5.050 4.170 0.001 0.000 0.303 305 I C 0.822 177.063 176.117 0.206 0.000 1.129 305 I CA -0.448 61.002 61.300 0.250 0.000 0.989 305 I CB 1.784 39.771 38.000 -0.021 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.346 112.378 114.554 0.284 0.000 2.876 306 T HA 0.389 4.739 4.350 0.001 0.000 0.277 306 T C 0.731 175.516 174.700 0.141 0.000 0.997 306 T CA 0.190 62.411 62.100 0.202 0.000 0.966 306 T CB 1.207 70.209 68.868 0.224 0.000 1.312 306 T HN 0.831 nan 8.240 nan 0.000 0.598 307 T N -2.662 111.966 114.554 0.123 0.000 3.001 307 T HA 0.207 4.557 4.350 0.001 0.000 0.251 307 T C 0.569 175.341 174.700 0.119 0.000 1.040 307 T CA -0.294 61.860 62.100 0.090 0.000 0.985 307 T CB -0.309 68.600 68.868 0.070 0.000 1.011 307 T HN 0.534 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 0.322 5.063 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 0.199 0.000 0.942 308 N CB 1.839 40.444 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 0.275 177.620 177.300 0.075 0.000 1.153 309 P CA 0.928 64.094 63.100 0.110 0.000 0.777 309 P CB -0.042 31.622 31.700 -0.059 0.000 0.794 310 Y N -0.419 119.967 120.300 0.142 0.000 2.584 310 Y HA -0.045 4.505 4.550 0.001 0.000 0.317 310 Y C 1.451 177.355 175.900 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 0.049 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.657 118.785 120.400 0.070 0.000 2.369 311 D HA 0.028 4.668 4.640 0.001 0.000 0.211 311 D C -0.756 175.026 176.300 -0.864 0.000 1.077 311 D CA 0.496 54.267 54.000 -0.381 0.000 0.842 311 D CB 0.157 40.648 40.800 -0.514 0.000 0.947 311 D HN 0.227 nan 8.370 nan 0.000 0.509 312 Y N -0.157 120.141 120.300 -0.003 0.000 2.705 312 Y HA 0.185 4.736 4.550 0.001 0.000 0.355 312 Y C 1.101 176.997 175.900 -0.007 0.000 1.039 312 Y CA -1.016 57.052 58.100 -0.054 0.000 1.233 312 Y CB 0.192 38.564 38.460 -0.147 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.156 120.228 119.070 0.003 0.000 2.330 313 H HA -0.305 4.251 4.556 0.001 0.000 0.290 313 H C 1.337 176.749 175.328 0.141 0.000 1.111 313 H CA 2.545 58.622 56.048 0.048 0.000 1.226 313 H CB -0.018 29.744 29.762 -0.001 0.000 1.355 313 H HN 0.609 nan 8.280 nan 0.000 0.485 314 Y N -0.342 119.844 120.300 -0.189 0.000 2.193 314 Y HA -0.142 4.408 4.550 0.001 0.000 0.285 314 Y C 2.728 178.441 175.900 -0.312 0.000 1.166 314 Y CA 1.588 59.523 58.100 -0.276 0.000 1.181 314 Y CB -0.799 37.557 38.460 -0.173 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.164 117.672 119.914 -0.130 0.000 3.319 315 V HA 0.312 4.432 4.120 0.001 0.000 0.317 315 V C 0.571 176.633 176.094 -0.053 0.000 1.411 315 V CA 0.672 62.841 62.300 -0.219 0.000 1.112 315 V CB -0.198 31.287 31.823 -0.565 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -2.042 113.618 115.700 -0.067 0.000 2.901 316 S HA 0.395 4.865 4.470 0.001 0.000 0.248 316 S C 0.557 175.122 174.600 -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 0.836 120.974 120.200 -0.103 0.000 2.299 317 E HA 0.149 4.500 4.350 0.001 0.000 0.193 317 E C 1.465 177.989 176.600 -0.127 0.000 0.998 317 E CA 0.698 57.029 56.400 -0.115 0.000 0.851 317 E CB 0.152 29.705 29.700 -0.246 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.518 109.229 108.800 -0.147 0.000 3.198 318 G HA2 0.153 4.114 3.960 0.001 0.000 0.203 318 G HA3 0.153 4.114 3.960 0.001 0.000 0.203 318 G C 0.075 174.916 174.900 -0.099 0.000 1.950 318 G CA -0.352 44.661 45.100 -0.145 0.000 0.798 318 G HN -0.071 nan 8.290 nan 0.000 0.720 319 E N -0.783 119.336 120.200 -0.135 0.000 2.249 319 E HA 0.531 4.881 4.350 0.001 0.000 0.263 319 E C 0.457 176.897 176.600 -0.267 0.000 0.950 319 E CA -0.587 55.722 56.400 -0.151 0.000 0.827 319 E CB 2.661 32.276 29.700 -0.143 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.388 120.012 120.570 -0.283 0.000 3.971 320 I HA 0.023 4.193 4.170 0.001 0.000 0.303 320 I C 0.964 176.817 176.117 -0.440 0.000 1.233 320 I CA 0.514 61.566 61.300 -0.413 0.000 1.346 320 I CB 1.012 38.886 38.000 -0.209 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.123 115.534 114.554 -0.238 0.000 2.863 321 T HA 0.661 5.012 4.350 0.001 0.000 0.285 321 T C -1.118 173.496 174.700 -0.142 0.000 1.009 321 T CA -0.479 61.518 62.100 -0.171 0.000 0.989 321 T CB 1.542 70.361 68.868 -0.080 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.775 127.613 119.914 -0.125 0.000 2.483 322 V HA 0.343 4.463 4.120 0.001 0.000 0.297 322 V C -1.625 174.427 176.094 -0.069 0.000 1.027 322 V CA -1.668 60.576 62.300 -0.094 0.000 0.855 322 V CB 1.780 33.546 31.823 -0.096 0.000 0.995 322 V HN 0.719 nan 8.190 nan 0.000 0.424 323 P HA -0.156 nan 4.420 nan 0.000 0.215 323 P C 1.646 178.923 177.300 -0.039 0.000 1.153 323 P CA 1.705 64.780 63.100 -0.041 0.000 0.853 323 P CB 0.165 31.843 31.700 -0.035 0.000 0.788 324 S N -1.099 114.577 115.700 -0.040 0.000 2.603 324 S HA 0.009 4.480 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 -0.061 58.118 58.200 -0.034 0.000 0.935 324 S CB -1.236 61.949 63.200 -0.024 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.596 121.129 120.570 -0.061 0.000 2.474 325 I HA 0.514 4.684 4.170 0.001 0.000 0.294 325 I C -1.103 174.975 176.117 -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 -0.139 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.637 125.003 120.400 -0.057 0.000 2.479 326 D HA 0.167 4.807 4.640 0.001 0.000 0.247 326 D C 0.734 177.016 176.300 -0.031 0.000 1.119 326 D CA -0.229 53.750 54.000 -0.035 0.000 0.922 326 D CB 0.643 41.429 40.800 -0.023 0.000 1.014 326 D HN 0.397 nan 8.370 nan 0.000 0.510 327 D N 1.877 122.263 120.400 -0.024 0.000 2.203 327 D HA -0.220 4.421 4.640 0.001 0.000 0.199 327 D C 1.518 177.823 176.300 0.009 0.000 0.997 327 D CA 1.100 55.099 54.000 -0.001 0.000 0.863 327 D CB 0.366 41.191 40.800 0.041 0.000 0.928 327 D HN 0.634 nan 8.370 nan 0.000 0.458 328 Q N 0.495 120.299 119.800 0.006 0.000 2.079 328 Q HA -0.123 4.218 4.340 0.001 0.000 0.200 328 Q C 2.039 178.043 176.000 0.007 0.000 0.974 328 Q CA 0.790 56.598 55.803 0.008 0.000 0.840 328 Q CB -0.146 28.595 28.738 0.006 0.000 0.898 328 Q HN 0.434 nan 8.270 nan 0.000 0.430 329 E N 0.536 120.738 120.200 0.002 0.000 2.072 329 E HA -0.147 4.204 4.350 0.001 0.000 0.190 329 E C 1.993 178.599 176.600 0.010 0.000 0.982 329 E CA 0.602 57.005 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 0.747 120.949 120.200 0.002 0.000 2.077 330 E HA -0.213 4.137 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 0.547 56.951 56.400 0.007 0.000 0.800 330 E CB -0.406 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 0.659 121.897 121.223 0.025 0.000 2.051 331 L HA -0.247 4.094 4.340 0.001 0.000 0.214 331 L C 2.526 179.434 176.870 0.062 0.000 1.076 331 L CA 1.364 56.231 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 -1.458 118.169 119.600 0.045 0.000 2.156 332 M HA -0.097 4.384 4.480 0.001 0.000 0.264 332 M C 2.516 178.847 176.300 0.051 0.000 1.067 332 M CA 1.538 56.867 55.300 0.049 0.000 1.131 332 M CB -1.314 31.306 32.600 0.034 0.000 1.368 332 M HN 0.370 nan 8.290 nan 0.000 0.416 333 A N 0.957 123.802 122.820 0.042 0.000 1.892 333 A HA -0.183 4.138 4.320 0.001 0.000 0.218 333 A C 2.381 179.996 177.584 0.051 0.000 1.188 333 A CA 2.644 54.708 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 0.496 nan 8.150 nan 0.000 0.447 334 T N -0.253 114.331 114.554 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 1.458 63.585 62.100 0.044 0.000 1.159 334 T CB -0.496 68.386 68.868 0.023 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 0.999 121.448 120.400 0.082 0.000 2.137 335 D HA -0.128 4.513 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 1.873 55.941 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 0.746 116.485 115.700 0.064 0.000 2.387 336 S HA -0.171 4.299 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 1.434 59.667 58.200 0.055 0.000 1.014 336 S CB -0.476 62.752 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 4.284 4.320 0.001 0.000 0.217 337 A C 2.116 179.740 177.584 0.067 0.000 1.181 337 A CA 1.237 53.306 52.037 0.055 0.000 0.623 337 A CB -0.776 18.258 19.000 0.056 0.000 0.818 337 A HN 0.484 nan 8.150 nan 0.000 0.443 338 I N -0.022 120.573 120.570 0.040 0.000 2.127 338 I HA -0.301 3.870 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 -0.578 37.352 38.000 -0.118 0.000 1.040 338 I HN 0.358 nan 8.210 nan 0.000 0.405 339 D N 1.026 121.485 120.400 0.098 0.000 2.103 339 D HA -0.207 4.434 4.640 0.001 0.000 0.190 339 D C 2.227 178.571 176.300 0.073 0.000 0.997 339 D CA 1.645 55.699 54.000 0.091 0.000 0.833 339 D CB -0.318 40.521 40.800 0.064 0.000 0.961 339 D HN 0.362 nan 8.370 nan 0.000 0.447 340 I N 0.766 121.370 120.570 0.057 0.000 2.335 340 I HA -0.248 3.923 4.170 0.001 0.000 0.251 340 I C 2.222 178.348 176.117 0.015 0.000 1.129 340 I CA 0.621 61.940 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 0.550 121.804 121.223 0.053 0.000 2.633 341 L HA -0.015 4.326 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 0.879 55.722 54.840 0.004 0.000 0.859 341 L CB -0.601 41.510 42.059 0.086 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.240 107.530 108.800 -0.052 0.000 2.143 342 G HA2 -0.307 3.653 3.960 0.001 0.000 0.249 342 G HA3 -0.307 3.653 3.960 0.001 0.000 0.249 342 G C 0.223 175.045 174.900 -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 1.542 121.428 119.950 -0.107 0.000 2.506 343 F HA 0.521 5.048 4.527 0.001 0.000 0.351 343 F C 1.371 177.143 175.800 -0.046 0.000 1.136 343 F CA 0.745 58.679 58.000 -0.110 0.000 1.298 343 F CB 1.172 40.089 39.000 -0.140 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.759 117.574 115.700 0.190 0.000 2.576 344 S HA 0.355 4.825 4.470 0.001 0.000 0.276 344 S C 1.093 175.775 174.600 0.136 0.000 1.339 344 S CA -0.147 58.131 58.200 0.130 0.000 1.039 344 S CB 0.930 64.201 63.200 0.118 0.000 0.902 344 S HN 0.779 nan 8.310 nan 0.000 0.516 345 A N 3.627 126.506 122.820 0.097 0.000 1.908 345 A HA -0.122 4.198 4.320 0.001 0.000 0.218 345 A C 1.768 179.407 177.584 0.091 0.000 1.181 345 A CA 2.276 54.367 52.037 0.090 0.000 0.627 345 A CB -1.233 17.811 19.000 0.073 0.000 0.818 345 A HN 0.960 nan 8.150 nan 0.000 0.445 346 D N -0.148 120.302 120.400 0.084 0.000 2.103 346 D HA -0.125 4.515 4.640 0.001 0.000 0.190 346 D C 1.152 177.507 176.300 0.092 0.000 0.997 346 D CA 1.387 55.432 54.000 0.074 0.000 0.833 346 D CB -0.122 40.719 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 4.336 4.320 0.001 0.000 0.217 350 A C 2.099 179.649 177.584 -0.055 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 -0.082 0.000 0.822 350 A HN 0.537 nan 8.150 nan 0.000 0.444 351 I N -1.580 118.946 120.570 -0.074 0.000 2.118 351 I HA -0.245 3.925 4.170 0.001 0.000 0.241 351 I C 1.410 177.477 176.117 -0.083 0.000 1.070 351 I CA 1.193 62.399 61.300 -0.158 0.000 1.327 351 I CB -0.917 36.884 38.000 -0.332 0.000 1.034 351 I HN 0.309 nan 8.210 nan 0.000 0.405 355 T N -0.647 113.957 114.554 0.084 0.000 3.035 355 T HA 0.055 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 1.310 63.511 62.100 0.167 0.000 1.119 355 T CB -0.114 68.823 68.868 0.115 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.644 109.546 108.800 0.169 0.000 2.545 356 G HA2 0.259 4.220 3.960 0.001 0.000 0.212 356 G HA3 0.259 4.220 3.960 0.001 0.000 0.212 356 G C 1.783 176.793 174.900 0.182 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 0.786 123.728 122.820 0.203 0.000 1.892 357 A HA -0.052 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 2.044 54.214 52.037 0.222 0.000 0.631 357 A CB -0.862 18.162 19.000 0.039 0.000 0.822 357 A HN 0.268 nan 8.150 nan 0.000 0.447 358 V N 0.192 120.110 119.914 0.007 0.000 2.324 358 V HA -0.368 3.752 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 2.306 64.635 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 -0.941 118.741 119.600 0.137 0.000 2.086 359 M HA -0.198 4.282 4.480 0.001 0.000 0.261 359 M C 2.205 178.560 176.300 0.091 0.000 1.067 359 M CA 2.111 57.416 55.300 0.008 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 -1.025 118.198 119.070 0.255 0.000 2.387 360 H HA -0.185 4.372 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 1.744 57.951 56.048 0.264 0.000 1.315 360 H CB -0.069 29.863 29.762 0.284 0.000 1.380 360 H HN 0.251 nan 8.280 nan 0.000 0.513 361 Y N 0.210 120.611 120.300 0.169 0.000 2.114 361 Y HA -0.170 4.380 4.550 0.001 0.000 0.282 361 Y C 2.765 178.579 175.900 -0.143 0.000 1.165 361 Y CA 1.402 59.570 58.100 0.113 0.000 1.148 361 Y CB -0.948 37.662 38.460 0.251 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.891 107.593 108.800 -0.528 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 1.381 175.994 174.900 -0.479 0.000 1.128 362 G CA 0.912 45.133 45.100 -1.465 0.000 0.774 362 G HN 0.311 nan 8.290 nan 0.000 0.543 363 N N -0.656 117.927 118.700 -0.196 0.000 2.282 363 N HA 0.129 4.869 4.740 0.001 0.000 0.185 363 N C 0.256 175.716 175.510 -0.083 0.000 1.099 363 N CA -0.331 52.654 53.050 -0.109 0.000 0.878 363 N CB 0.231 38.685 38.487 -0.054 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.398 122.592 121.223 -0.049 0.000 2.513 364 L HA 0.036 4.377 4.340 0.001 0.000 0.272 364 L C 0.272 177.095 176.870 -0.079 0.000 1.187 364 L CA 0.716 55.498 54.840 -0.096 0.000 0.895 364 L CB 0.176 42.219 42.059 -0.027 0.000 1.147 364 L HN -0.158 nan 8.230 nan 0.000 0.483 365 K N 2.914 123.134 120.400 -0.301 0.000 2.328 365 K HA 0.750 5.071 4.320 0.001 0.000 0.246 365 K C -1.222 175.020 176.600 -0.596 0.000 0.955 365 K CA -0.285 55.909 56.287 -0.155 0.000 0.817 365 K CB 1.364 33.791 32.500 -0.121 0.000 1.208 365 K HN 0.219 nan 8.250 nan 0.000 0.432 371 R N -0.582 119.926 120.500 0.014 0.000 3.977 371 R HA -0.199 4.142 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 57.555 56.100 0.012 0.000 1.269 371 R CB -0.905 29.401 30.300 0.011 0.000 1.856 371 R HN 0.574 nan 8.270 nan 0.000 0.551 372 E N 0.211 120.421 120.200 0.017 0.000 2.336 372 E HA 0.237 4.588 4.350 0.001 0.000 0.267 372 E C -0.452 176.155 176.600 0.013 0.000 0.906 372 E CA -0.544 55.868 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 0.921 121.125 120.200 0.008 0.000 2.451 373 E HA 0.015 4.365 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 0.648 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 0.159 119.954 119.800 -0.009 0.000 2.221 374 Q HA 0.481 4.821 4.340 0.001 0.000 0.242 374 Q C -0.952 175.009 176.000 -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 2.603 125.331 122.820 -0.154 0.000 2.301 375 A HA 0.511 4.832 4.320 0.001 0.000 0.298 375 A C -0.995 176.519 177.584 -0.116 0.000 1.185 375 A CA -0.337 51.604 52.037 -0.161 0.000 0.830 375 A CB 0.324 19.133 19.000 -0.320 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.797 123.015 120.200 0.031 0.000 2.272 376 E HA 0.625 4.976 4.350 0.001 0.000 0.269 376 E C -2.997 173.724 176.600 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 0.320 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 63.234 63.100 0.026 0.000 0.763 377 P CB 0.510 32.204 31.700 -0.010 0.000 0.807 378 D N 1.671 121.938 120.400 -0.221 0.000 2.460 378 D HA 0.308 4.948 4.640 0.001 0.000 0.229 378 D C 0.442 176.655 176.300 -0.144 0.000 1.170 378 D CA 0.093 54.011 54.000 -0.138 0.000 0.827 378 D CB -0.495 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 -0.701 108.012 108.800 -0.145 0.000 2.316 379 G HA2 0.096 4.056 3.960 0.001 0.000 0.468 379 G HA3 0.096 4.056 3.960 0.001 0.000 0.468 379 G C -0.301 174.525 174.900 -0.124 0.000 1.523 379 G CA -0.314 44.718 45.100 -0.114 0.000 0.972 379 G HN 0.103 nan 8.290 nan 0.000 0.667 380 T N -1.729 112.776 114.554 -0.082 0.000 3.444 380 T HA 0.605 4.956 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 0.048 62.107 62.100 -0.069 0.000 1.530 380 T CB 1.349 70.192 68.868 -0.042 0.000 0.958 380 T HN 0.535 nan 8.240 nan 0.000 0.684 381 E N 0.632 120.788 120.200 -0.074 0.000 2.207 381 E HA 0.066 4.416 4.350 0.001 0.000 0.197 381 E C 1.557 178.114 176.600 -0.071 0.000 0.914 381 E CA 0.463 56.825 56.400 -0.064 0.000 0.914 381 E CB 0.529 30.192 29.700 -0.061 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.245 121.112 119.914 -0.079 0.000 2.599 382 V HA -0.021 4.099 4.120 0.001 0.000 0.245 382 V C 2.347 178.394 176.094 -0.079 0.000 1.046 382 V CA 1.356 63.608 62.300 -0.080 0.000 1.065 382 V CB -0.221 31.582 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.302 122.475 122.820 -0.073 0.000 1.933 383 A HA -0.145 4.175 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 1.271 53.282 52.037 -0.043 0.000 0.628 383 A CB -0.494 18.472 19.000 -0.058 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.504 122.416 122.820 0.167 0.000 1.883 387 A HA -0.017 4.303 4.320 0.001 0.000 0.217 387 A C 2.003 179.683 177.584 0.161 0.000 1.186 387 A CA 2.152 54.284 52.037 0.158 0.000 0.624 387 A CB -0.913 18.160 19.000 0.121 0.000 0.822 387 A HN 1.365 nan 8.150 nan 0.000 0.444 388 Y N -0.244 120.081 120.300 0.042 0.000 2.200 388 Y HA -0.086 4.464 4.550 0.001 0.000 0.290 388 Y C 1.827 177.753 175.900 0.043 0.000 1.137 388 Y CA 1.447 59.567 58.100 0.034 0.000 1.163 388 Y CB -0.324 38.146 38.460 0.016 0.000 0.988 388 Y HN 0.161 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 4.174 4.340 0.001 0.000 0.212 389 L C 2.028 178.821 176.870 -0.128 0.000 1.103 389 L CA 1.702 56.449 54.840 -0.155 0.000 0.769 389 L CB -0.773 41.331 42.059 0.075 0.000 0.908 389 L HN 0.406 nan 8.230 nan 0.000 0.438 390 M N -2.026 117.545 119.600 -0.049 0.000 2.441 390 M HA 0.253 4.733 4.480 0.001 0.000 0.244 390 M C 1.048 177.315 176.300 -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 32.932 32.600 -0.007 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.968 110.729 108.800 -0.064 0.000 2.248 391 G HA2 -0.189 3.772 3.960 0.001 0.000 0.263 391 G HA3 -0.189 3.772 3.960 0.001 0.000 0.263 391 G C -0.657 174.262 174.900 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 -0.355 120.908 121.223 0.066 0.000 2.260 392 L HA 0.748 5.088 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 1.550 43.691 42.059 0.138 0.000 1.373 392 L HN 0.235 nan 8.230 nan 0.000 0.450 393 N N -0.725 118.024 118.700 0.082 0.000 2.443 393 N HA 0.177 4.917 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 0.069 0.000 0.921 393 N CB 1.707 40.225 38.487 0.052 0.000 1.195 393 N HN 0.514 nan 8.380 nan 0.000 0.492 394 S N 2.620 118.356 115.700 0.060 0.000 2.378 394 S HA -0.261 4.209 4.470 0.001 0.000 0.229 394 S C 1.743 176.367 174.600 0.041 0.000 1.052 394 S CA 2.219 60.447 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 1.030 123.873 122.820 0.038 0.000 1.832 395 A HA -0.127 4.194 4.320 0.001 0.000 0.214 395 A C 1.958 179.570 177.584 0.045 0.000 1.200 395 A CA 1.593 53.654 52.037 0.040 0.000 0.610 395 A CB -0.874 18.146 19.000 0.033 0.000 0.842 395 A HN 0.572 nan 8.150 nan 0.000 0.444 396 E N -0.797 119.427 120.200 0.039 0.000 2.147 396 E HA -0.259 4.091 4.350 0.001 0.000 0.199 396 E C 1.936 178.554 176.600 0.031 0.000 1.005 396 E CA 1.487 57.907 56.400 0.033 0.000 0.810 396 E CB -0.325 29.392 29.700 0.029 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.507 121.753 121.223 0.039 0.000 2.005 397 L HA -0.166 4.174 4.340 0.001 0.000 0.207 397 L C 2.062 178.952 176.870 0.035 0.000 1.072 397 L CA 1.493 56.355 54.840 0.036 0.000 0.744 397 L CB -0.343 41.753 42.059 0.061 0.000 0.895 397 L HN 0.058 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 -0.120 4.220 4.340 0.001 0.000 0.215 398 L C 2.456 179.377 176.870 0.086 0.000 1.119 398 L CA 1.379 56.275 54.840 0.094 0.000 0.790 398 L CB -1.092 41.026 42.059 0.098 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.612 119.839 120.400 0.085 0.000 1.980 399 K HA -0.053 4.267 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 -0.228 32.344 32.500 0.119 0.000 0.724 399 K HN 0.238 nan 8.250 nan 0.000 0.438 400 A N 1.681 124.521 122.820 0.032 0.000 1.940 400 A HA -0.235 4.086 4.320 0.001 0.000 0.221 400 A C 2.113 179.657 177.584 -0.066 0.000 1.190 400 A CA 1.660 53.686 52.037 -0.018 0.000 0.647 400 A CB -0.729 18.241 19.000 -0.050 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.003 120.172 121.223 -0.079 0.000 2.017 401 L HA -0.151 4.190 4.340 0.001 0.000 0.208 401 L C 2.671 179.386 176.870 -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 -2.208 116.924 119.300 -0.280 0.000 2.505 402 C HA -0.027 4.433 4.460 0.001 0.000 0.279 402 C C 0.869 175.409 174.990 -0.751 0.000 1.316 402 C CA -0.129 58.563 59.018 -0.544 0.000 1.720 402 C CB -0.623 26.783 27.740 -0.558 0.000 2.050 402 C HN 0.407 nan 8.230 nan 0.000 0.493 403 Y N 0.882 121.143 120.300 -0.066 0.000 2.553 403 Y HA 0.307 4.857 4.550 0.001 0.000 0.369 403 Y C -2.318 173.549 175.900 -0.054 0.000 0.964 403 Y CA -3.197 54.871 58.100 -0.053 0.000 1.156 403 Y CB -0.600 37.839 38.460 -0.036 0.000 1.218 403 Y HN 0.198 nan 8.280 nan 0.000 0.630 404 P HA -0.089 nan 4.420 nan 0.000 0.256 404 P C -0.120 177.189 177.300 0.015 0.000 1.173 404 P CA 0.326 63.415 63.100 -0.018 0.000 0.768 404 P CB 0.377 32.045 31.700 -0.053 0.000 0.758 405 R N 3.612 124.117 120.500 0.009 0.000 2.230 405 R HA 0.402 4.742 4.340 0.001 0.000 0.337 405 R C -0.639 175.658 176.300 -0.005 0.000 1.063 405 R CA -0.687 55.418 56.100 0.009 0.000 0.935 405 R CB 0.095 30.401 30.300 0.010 0.000 1.121 405 R HN 0.101 nan 8.270 nan 0.000 0.486 406 V N 2.324 122.237 119.914 -0.003 0.000 3.596 406 V HA 0.503 4.623 4.120 0.001 0.000 0.288 406 V C 1.062 177.154 176.094 -0.003 0.000 1.021 406 V CA -0.172 62.125 62.300 -0.005 0.000 1.020 406 V CB 1.563 33.384 31.823 -0.003 0.000 1.243 406 V HN 0.948 nan 8.190 nan 0.000 0.433 407 G N 0.073 108.872 108.800 -0.002 0.000 4.566 407 G HA2 0.445 4.406 3.960 0.001 0.000 0.276 407 G HA3 0.445 4.406 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 1.671 121.584 119.914 -0.002 0.000 2.389 408 V HA 0.687 4.808 4.120 0.001 0.000 0.264 408 V C 1.221 177.313 176.094 -0.004 0.000 1.049 408 V CA 1.578 63.877 62.300 -0.003 0.000 0.932 408 V CB 0.180 32.002 31.823 -0.001 0.000 1.011 408 V HN 1.199 nan 8.190 nan 0.000 0.475 409 G N 5.436 114.233 108.800 -0.006 0.000 2.846 409 G HA2 -0.199 3.762 3.960 0.001 0.000 0.225 409 G HA3 -0.199 3.762 3.960 0.001 0.000 0.225 409 G C 0.275 175.171 174.900 -0.006 0.000 1.285 409 G CA 0.142 45.239 45.100 -0.006 0.000 1.055 409 G HN 0.820 nan 8.290 nan 0.000 0.579 410 N N 2.014 120.710 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.937 4.740 0.001 0.000 0.222 410 N C 0.577 176.085 175.510 -0.004 0.000 1.218 410 N CA 1.014 54.062 53.050 -0.005 0.000 0.889 410 N CB 0.757 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 0.341 120.539 120.200 -0.004 0.000 2.573 411 E HA 0.737 5.087 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 1.171 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 0.935 123.753 122.820 -0.004 0.000 2.466 412 A HA 0.458 4.778 4.320 0.001 0.000 0.291 412 A C -0.892 176.691 177.584 -0.003 0.000 1.234 412 A CA -0.700 51.335 52.037 -0.003 0.000 0.752 412 A CB 0.682 19.680 19.000 -0.004 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.055 122.968 119.914 -0.001 0.000 2.385 413 V HA 0.286 4.407 4.120 0.001 0.000 0.269 413 V C 0.968 177.066 176.094 0.006 0.000 1.043 413 V CA -0.096 62.205 62.300 0.001 0.000 0.906 413 V CB 0.715 32.539 31.823 0.001 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.093 120.186 120.200 -0.179 0.000 2.281 417 E HA 0.667 5.018 4.350 0.001 0.000 0.262 417 E C -0.196 176.286 176.600 -0.197 0.000 0.933 417 E CA -0.733 55.558 56.400 -0.183 0.000 0.809 417 E CB 2.172 31.738 29.700 -0.224 0.000 1.242 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 T N 0.241 114.698 114.554 -0.162 0.000 2.881 418 T HA 0.094 4.445 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 61.308 62.100 -0.147 0.000 0.989 418 T CB 1.250 70.062 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.216 121.018 119.914 -0.186 0.000 2.255 419 V HA -0.180 3.941 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 2.046 64.189 62.300 -0.261 0.000 1.018 419 V CB -1.025 30.713 31.823 -0.143 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.466 115.164 115.700 -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 1.612 59.793 58.200 -0.031 0.000 0.982 420 S CB -0.348 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 0.428 120.559 120.200 -0.115 0.000 2.158 421 E HA -0.047 4.304 4.350 0.001 0.000 0.191 421 E C 2.019 178.523 176.600 -0.159 0.000 0.982 421 E CA 0.860 57.192 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 1.363 121.099 119.914 -0.296 0.000 2.255 422 V HA -0.211 3.910 4.120 0.001 0.000 0.243 422 V C 2.119 178.090 176.094 -0.206 0.000 1.038 422 V CA 1.662 63.706 62.300 -0.427 0.000 1.008 422 V CB -0.755 30.505 31.823 -0.938 0.000 0.645 422 V HN 0.252 nan 8.190 nan 0.000 0.449 423 H N 0.959 119.958 119.070 -0.118 0.000 2.394 423 H HA -0.172 4.384 4.556 0.001 0.000 0.297 423 H C 2.268 177.646 175.328 0.084 0.000 1.113 423 H CA 2.009 58.091 56.048 0.058 0.000 1.277 423 H CB -0.646 29.178 29.762 0.104 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.195 118.594 118.700 0.149 0.000 2.216 424 N HA -0.115 4.626 4.740 0.001 0.000 0.183 424 N C 2.126 177.685 175.510 0.082 0.000 1.017 424 N CA 1.115 54.228 53.050 0.105 0.000 0.861 424 N CB 0.063 38.585 38.487 0.059 0.000 0.986 424 N HN 0.307 nan 8.380 nan 0.000 0.428 425 S N 0.616 116.335 115.700 0.031 0.000 2.383 425 S HA -0.062 4.409 4.470 0.001 0.000 0.227 425 S C 2.117 176.774 174.600 0.096 0.000 1.026 425 S CA 0.640 58.856 58.200 0.027 0.000 0.981 425 S CB -0.703 62.475 63.200 -0.037 0.000 0.818 425 S HN 0.016 nan 8.310 nan 0.000 0.472 426 V N 2.730 122.721 119.914 0.129 0.000 2.233 426 V HA -0.124 3.996 4.120 0.001 0.000 0.247 426 V C 2.995 179.311 176.094 0.371 0.000 1.050 426 V CA 2.079 64.526 62.300 0.246 0.000 1.010 426 V CB -1.785 30.201 31.823 0.271 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.602 108.397 108.800 0.331 0.000 2.469 427 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 427 G HA3 -0.264 3.696 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 46.465 45.100 0.249 0.000 0.759 427 G HN 0.660 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 0.167 4.488 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 1.247 53.355 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 4.388 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 0.383 55.412 54.840 0.315 0.000 0.747 429 L CB -0.936 41.366 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.179 120.265 119.914 0.288 0.000 2.287 433 V HA -0.290 3.831 4.120 0.001 0.000 0.248 433 V C 2.220 178.350 176.094 0.061 0.000 1.053 433 V CA 2.664 65.074 62.300 0.182 0.000 1.027 433 V CB -1.093 30.817 31.823 0.146 0.000 0.646 433 V HN 0.625 nan 8.190 nan 0.000 0.447 434 Y N 1.244 121.544 120.300 0.001 0.000 2.081 434 Y HA -0.205 4.345 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 1.878 59.967 58.100 -0.019 0.000 1.135 434 Y CB -0.278 38.184 38.460 0.005 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.295 121.995 119.950 -0.416 0.000 2.161 438 F HA -0.164 4.364 4.527 0.001 0.000 0.300 438 F C 1.362 176.988 175.800 -0.290 0.000 1.089 438 F CA 2.051 59.775 58.000 -0.460 0.000 1.282 438 F CB -0.056 38.676 39.000 -0.447 0.000 1.010 438 F HN 0.251 nan 8.300 nan 0.000 0.485 439 L N -0.776 120.430 121.223 -0.030 0.000 2.017 439 L HA -0.194 4.147 4.340 0.001 0.000 0.208 439 L C 2.077 178.879 176.870 -0.113 0.000 1.073 439 L CA 1.764 56.554 54.840 -0.083 0.000 0.745 439 L CB -1.943 40.122 42.059 0.009 0.000 0.894 439 L HN 0.502 nan 8.230 nan 0.000 0.432 440 W N 0.196 121.355 121.300 -0.235 0.000 2.333 440 W HA -0.267 4.393 4.660 0.001 0.000 0.316 440 W C 2.678 179.079 176.519 -0.196 0.000 1.215 440 W CA 1.798 59.027 57.345 -0.193 0.000 1.278 440 W CB -0.419 28.935 29.460 -0.177 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.231 119.162 119.600 -0.345 0.000 2.089 441 M HA -0.302 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 2.338 57.335 55.300 -0.504 0.000 1.096 441 M CB -0.867 31.372 32.600 -0.602 0.000 1.330 441 M HN -0.065 nan 8.290 nan 0.000 0.403 442 V N 0.464 120.072 119.914 -0.510 0.000 2.255 442 V HA -0.311 3.809 4.120 0.001 0.000 0.247 442 V C 2.125 178.020 176.094 -0.332 0.000 1.051 442 V CA 2.050 64.094 62.300 -0.427 0.000 1.018 442 V CB -0.554 31.001 31.823 -0.447 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.689 119.697 120.570 -0.307 0.000 2.118 443 I HA -0.263 3.907 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 1.583 62.725 61.300 -0.263 0.000 1.327 443 I CB -0.431 37.457 38.000 -0.186 0.000 1.034 443 I HN 0.187 nan 8.210 nan 0.000 0.405 444 R N 0.386 120.565 120.500 -0.534 0.000 2.105 444 R HA -0.133 4.207 4.340 0.001 0.000 0.239 444 R C 2.201 178.124 176.300 -0.627 0.000 1.135 444 R CA 1.475 57.161 56.100 -0.690 0.000 0.967 444 R CB -0.714 28.914 30.300 -1.120 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.223 121.501 120.570 -0.486 0.000 2.113 445 I HA -0.317 3.853 4.170 0.001 0.000 0.238 445 I C 1.957 177.904 176.117 -0.283 0.000 1.070 445 I CA 1.226 62.317 61.300 -0.349 0.000 1.332 445 I CB -0.549 37.316 38.000 -0.224 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.100 119.653 118.700 -0.246 0.000 2.133 446 N HA -0.277 4.464 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 1.869 54.800 53.050 -0.199 0.000 0.871 446 N CB -0.465 37.913 38.487 -0.182 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.081 119.735 119.800 -0.244 0.000 2.124 447 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 447 Q C 1.663 177.534 176.000 -0.214 0.000 0.977 447 Q CA 1.329 56.997 55.803 -0.225 0.000 0.850 447 Q CB -0.292 28.323 28.738 -0.204 0.000 0.901 447 Q HN 0.201 nan 8.270 nan 0.000 0.429 448 Q N 0.352 120.003 119.800 -0.249 0.000 2.137 448 Q HA 0.037 4.377 4.340 0.001 0.000 0.198 448 Q C 1.426 177.329 176.000 -0.161 0.000 0.960 448 Q CA 0.713 56.390 55.803 -0.209 0.000 0.847 448 Q CB 0.109 28.705 28.738 -0.237 0.000 0.915 448 Q HN 0.298 nan 8.270 nan 0.000 0.448 449 L N 1.196 122.322 121.223 -0.162 0.000 2.749 449 L HA 0.022 4.362 4.340 0.001 0.000 0.245 449 L C -0.312 176.477 176.870 -0.135 0.000 1.156 449 L CA 0.840 55.600 54.840 -0.133 0.000 0.890 449 L CB -0.768 41.215 42.059 -0.126 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.602 119.713 120.400 -0.142 0.000 2.280 450 D HA 0.386 5.026 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 -0.022 53.892 54.000 -0.142 0.000 0.834 450 D CB 1.150 41.865 40.800 -0.142 0.000 1.100 450 D HN 0.156 nan 8.370 nan 0.000 0.486 451 T N -0.040 114.442 114.554 -0.119 0.000 2.940 451 T HA 0.443 4.793 4.350 0.001 0.000 0.288 451 T C 1.031 175.676 174.700 -0.092 0.000 1.045 451 T CA -0.763 61.280 62.100 -0.094 0.000 1.018 451 T CB 1.951 70.772 68.868 -0.078 0.000 1.151 451 T HN 0.154 nan 8.240 nan 0.000 0.529 452 K N -0.095 120.263 120.400 -0.072 0.000 2.211 452 K HA 0.066 4.386 4.320 0.001 0.000 0.201 452 K C 0.750 177.316 176.600 -0.058 0.000 1.052 452 K CA 0.304 56.553 56.287 -0.064 0.000 0.973 452 K CB 0.023 32.492 32.500 -0.051 0.000 0.766 452 K HN 0.655 nan 8.250 nan 0.000 0.466 453 Q N 2.184 121.953 119.800 -0.051 0.000 2.352 453 Q HA -0.024 4.317 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 -1.113 54.666 55.803 -0.040 0.000 1.000 453 Q CB -0.638 28.083 28.738 -0.028 0.000 1.237 453 Q HN 0.019 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 -0.010 63.063 63.100 -0.045 0.000 0.784 454 P CB 0.619 32.296 31.700 -0.039 0.000 0.923 455 R N 1.303 121.773 120.500 -0.051 0.000 2.561 455 R HA 0.376 4.717 4.340 0.001 0.000 0.297 455 R C 0.656 176.910 176.300 -0.077 0.000 0.969 455 R CA -0.611 55.474 56.100 -0.025 0.000 0.879 455 R CB 1.943 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 1.037 120.692 119.800 -0.240 0.000 2.431 456 Q HA 0.180 4.521 4.340 0.001 0.000 0.244 456 Q C -0.564 175.105 176.000 -0.551 0.000 0.880 456 Q CA 0.737 56.215 55.803 -0.542 0.000 0.954 456 Q CB 0.887 29.047 28.738 -0.965 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.013 119.400 120.300 0.190 0.000 2.670 457 Y HA 0.507 5.057 4.550 0.001 0.000 0.334 457 Y C -0.663 175.374 175.900 0.228 0.000 1.185 457 Y CA -2.000 56.191 58.100 0.152 0.000 1.053 457 Y CB 0.771 39.250 38.460 0.031 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 0.190 0.000 2.650 458 F HA 0.911 5.438 4.527 0.001 0.000 0.320 458 F C -1.898 173.922 175.800 0.033 0.000 1.091 458 F CA -1.853 56.115 58.000 -0.053 0.000 0.962 458 F CB 1.645 40.256 39.000 -0.648 0.000 1.363 458 F HN 0.354 nan 8.300 nan 0.000 0.482 459 I N 1.817 122.487 120.570 0.167 0.000 2.439 459 I HA 0.494 4.665 4.170 0.001 0.000 0.283 459 I C 0.008 176.187 176.117 0.103 0.000 1.023 459 I CA -0.733 60.585 61.300 0.031 0.000 1.100 459 I CB 1.680 39.640 38.000 -0.066 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.791 114.703 108.800 0.186 0.000 2.353 460 G HA2 0.519 4.480 3.960 0.001 0.000 0.284 460 G HA3 0.519 4.480 3.960 0.001 0.000 0.284 460 G C -0.659 174.325 174.900 0.141 0.000 1.172 460 G CA -0.226 44.929 45.100 0.091 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.943 123.874 119.914 0.028 0.000 2.326 461 V HA 0.319 4.440 4.120 0.001 0.000 0.281 461 V C -0.170 176.104 176.094 0.300 0.000 1.015 461 V CA -0.689 61.712 62.300 0.168 0.000 0.823 461 V CB 1.035 32.944 31.823 0.143 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 0.765 5.105 4.340 0.001 0.000 0.288 462 L C -0.630 176.399 176.870 0.265 0.000 1.033 462 L CA 0.346 55.461 54.840 0.458 0.000 0.807 462 L CB 1.457 43.724 42.059 0.347 0.000 1.209 462 L HN 0.645 nan 8.230 nan 0.000 0.423 463 D N 6.363 126.914 120.400 0.253 0.000 2.549 463 D HA 0.564 5.204 4.640 0.001 0.000 0.251 463 D C -1.001 175.394 176.300 0.159 0.000 1.153 463 D CA -0.099 54.002 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 0.117 0.000 3.181 464 I HA 0.517 4.688 4.170 0.001 0.000 0.311 464 I C -0.217 175.947 176.117 0.079 0.000 1.287 464 I CA -1.329 60.033 61.300 0.103 0.000 0.958 464 I CB 1.908 39.959 38.000 0.085 0.000 1.294 464 I HN 0.427 nan 8.210 nan 0.000 0.467 465 A N 1.028 123.893 122.820 0.075 0.000 2.304 465 A HA 0.783 5.103 4.320 0.001 0.000 0.271 465 A C 0.082 177.713 177.584 0.078 0.000 1.091 465 A CA -0.009 52.070 52.037 0.069 0.000 0.812 465 A CB 0.580 19.620 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 4.448 3.960 0.001 0.000 0.334 466 G HA3 0.487 4.448 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 0.108 0.000 0.935 466 G HN 0.624 nan 8.290 nan 0.000 0.488 467 F N 0.965 120.895 119.950 -0.033 0.000 2.473 467 F HA 0.045 4.572 4.527 0.001 0.000 0.405 467 F C 0.791 176.481 175.800 -0.183 0.000 0.988 467 F CA 0.742 58.670 58.000 -0.120 0.000 1.096 467 F CB 0.190 39.103 39.000 -0.145 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.321 126.344 120.200 -0.294 0.000 2.222 468 E HA 0.468 4.818 4.350 0.001 0.000 0.267 468 E C -0.892 175.183 176.600 -0.875 0.000 0.884 468 E CA -0.940 55.158 56.400 -0.504 0.000 0.764 468 E CB 2.083 31.464 29.700 -0.532 0.000 1.169 468 E HN 0.465 nan 8.360 nan 0.000 0.413 469 I N 3.409 123.512 120.570 -0.778 0.000 2.378 469 I HA 0.382 4.553 4.170 0.001 0.000 0.291 469 I C -0.915 174.780 176.117 -0.703 0.000 0.992 469 I CA -0.527 60.388 61.300 -0.642 0.000 1.154 469 I CB 0.679 38.548 38.000 -0.218 0.000 1.315 469 I HN 0.342 nan 8.210 nan 0.000 0.448 470 F N 2.747 122.635 119.950 -0.104 0.000 2.593 470 F HA 0.328 4.856 4.527 0.001 0.000 0.320 470 F C 1.342 177.121 175.800 -0.035 0.000 1.060 470 F CA -1.020 56.954 58.000 -0.043 0.000 0.940 470 F CB 0.826 39.830 39.000 0.007 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.237 120.780 120.400 0.239 0.000 2.218 471 D HA -0.194 4.446 4.640 0.001 0.000 0.204 471 D C 0.143 176.561 176.300 0.196 0.000 0.976 471 D CA 1.411 55.501 54.000 0.149 0.000 0.853 471 D CB -0.014 40.865 40.800 0.132 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.108 122.120 119.950 0.102 0.000 2.382 472 F HA 0.309 4.836 4.527 0.000 0.000 0.361 472 F C -0.730 175.150 175.800 0.134 0.000 1.109 472 F CA -1.070 56.981 58.000 0.084 0.000 1.031 472 F CB 0.720 39.750 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 4.968 4.740 0.001 0.000 0.265 473 N C -0.814 174.593 175.510 -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 -0.375 0.000 1.160 473 N HN 0.470 nan 8.380 nan 0.000 0.495 474 S N 0.687 116.402 115.700 0.025 0.000 2.776 474 S HA 0.352 4.822 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 57.779 58.200 0.284 0.000 0.973 474 S CB 0.533 63.926 63.200 0.321 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.307 121.942 119.950 -0.524 0.000 2.085 475 F HA -0.212 4.315 4.527 0.001 0.000 0.299 475 F C 1.858 177.368 175.800 -0.482 0.000 1.096 475 F CA 2.778 60.043 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 0.022 120.004 120.200 -0.364 0.000 2.160 476 E HA -0.254 4.097 4.350 0.001 0.000 0.195 476 E C 2.012 178.471 176.600 -0.234 0.000 0.991 476 E CA 1.639 57.811 56.400 -0.381 0.000 0.810 476 E CB -0.514 29.097 29.700 -0.149 0.000 0.742 476 E HN 0.514 nan 8.360 nan 0.000 0.466 477 Q N 0.040 119.809 119.800 -0.051 0.000 2.079 477 Q HA -0.067 4.274 4.340 0.001 0.000 0.200 477 Q C 2.074 178.119 176.000 0.076 0.000 0.974 477 Q CA 0.821 56.655 55.803 0.052 0.000 0.840 477 Q CB -0.294 28.533 28.738 0.147 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.002 121.285 121.223 0.100 0.000 1.989 478 L HA -0.229 4.112 4.340 0.001 0.000 0.211 478 L C 1.923 178.848 176.870 0.091 0.000 1.071 478 L CA 1.891 56.730 54.840 -0.002 0.000 0.749 478 L CB -0.873 41.050 42.059 -0.226 0.000 0.890 478 L HN 0.341 nan 8.230 nan 0.000 0.431 479 C N -0.567 118.672 119.300 -0.101 0.000 2.401 479 C HA -0.170 4.291 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 0.978 59.970 59.018 -0.044 0.000 1.753 479 C CB -1.215 25.966 27.740 -0.932 0.000 2.029 479 C HN 0.642 nan 8.230 nan 0.000 0.478 480 I N 1.427 121.999 120.570 0.005 0.000 2.233 480 I HA -0.150 4.020 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 1.548 62.886 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 -0.152 118.555 118.700 0.012 0.000 2.104 481 N HA -0.268 4.472 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 1.347 54.353 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 2.502 122.600 119.950 0.247 0.000 2.161 482 F HA -0.152 4.375 4.527 0.001 0.000 0.300 482 F C 2.254 178.218 175.800 0.273 0.000 1.089 482 F CA 1.243 59.431 58.000 0.313 0.000 1.282 482 F CB -0.832 38.378 39.000 0.351 0.000 1.010 482 F HN -0.081 nan 8.300 nan 0.000 0.485 483 T N 0.645 115.283 114.554 0.141 0.000 2.708 483 T HA -0.187 4.164 4.350 0.001 0.000 0.266 483 T C 1.864 176.565 174.700 0.002 0.000 1.037 483 T CA 1.547 63.610 62.100 -0.063 0.000 1.146 483 T CB -0.392 68.521 68.868 0.075 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 0.165 0.000 2.142 484 N HA -0.016 4.724 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 0.623 53.835 53.050 0.270 0.000 0.852 484 N CB -0.178 38.526 38.487 0.360 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.832 120.748 119.800 0.194 0.000 2.030 488 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 488 Q C 2.051 178.152 176.000 0.168 0.000 0.986 488 Q CA 2.663 58.486 55.803 0.034 0.000 0.843 488 Q CB -0.227 28.288 28.738 -0.371 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.367 118.545 119.800 0.188 0.000 2.234 489 Q HA -0.180 4.160 4.340 0.001 0.000 0.206 489 Q C 1.754 177.932 176.000 0.296 0.000 0.980 489 Q CA 1.360 57.291 55.803 0.214 0.000 0.869 489 Q CB -0.269 28.580 28.738 0.185 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.205 120.265 119.950 0.184 0.000 2.186 490 F HA -0.156 4.371 4.527 0.001 0.000 0.299 490 F C 1.569 177.588 175.800 0.365 0.000 1.090 490 F CA 1.097 59.227 58.000 0.216 0.000 1.307 490 F CB -0.472 38.650 39.000 0.203 0.000 1.019 490 F HN 0.192 nan 8.300 nan 0.000 0.489 491 F N 1.326 121.320 119.950 0.075 0.000 2.074 491 F HA -0.091 4.437 4.527 0.001 0.000 0.290 491 F C 2.127 177.921 175.800 -0.009 0.000 1.118 491 F CA 1.853 59.783 58.000 -0.116 0.000 1.199 491 F CB -1.070 37.700 39.000 -0.383 0.000 1.012 491 F HN -0.141 nan 8.300 nan 0.000 0.472 492 N N -0.358 118.412 118.700 0.117 0.000 2.242 492 N HA -0.295 4.445 4.740 0.001 0.000 0.191 492 N C 1.640 177.259 175.510 0.182 0.000 1.005 492 N CA 1.848 54.955 53.050 0.095 0.000 0.877 492 N CB -0.663 37.962 38.487 0.230 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.261 117.844 119.070 0.058 0.000 2.329 493 H HA -0.004 4.552 4.556 0.001 0.000 0.306 493 H C 2.108 177.501 175.328 0.109 0.000 1.062 493 H CA 1.531 57.630 56.048 0.084 0.000 1.364 493 H CB -0.223 29.568 29.762 0.049 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.334 118.753 119.070 0.029 0.000 2.426 494 H HA -0.146 4.411 4.556 0.001 0.000 0.298 494 H C 2.197 177.424 175.328 -0.168 0.000 1.107 494 H CA 2.057 58.047 56.048 -0.097 0.000 1.298 494 H CB -0.156 29.466 29.762 -0.233 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.173 118.266 119.600 -0.269 0.000 2.288 495 M HA -0.058 4.422 4.480 0.001 0.000 0.266 495 M C 1.695 178.012 176.300 0.029 0.000 1.072 495 M CA 1.041 56.152 55.300 -0.316 0.000 1.132 495 M CB -0.087 32.179 32.600 -0.556 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.169 120.158 119.950 0.066 0.000 2.163 496 F HA -0.117 4.410 4.527 0.001 0.000 0.297 496 F C 1.739 177.512 175.800 -0.046 0.000 1.094 496 F CA 1.151 59.286 58.000 0.225 0.000 1.290 496 F CB -0.379 38.588 39.000 -0.055 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.722 120.571 119.914 -0.107 0.000 2.261 497 V HA -0.294 3.826 4.120 0.001 0.000 0.246 497 V C 2.417 178.313 176.094 -0.330 0.000 1.047 497 V CA 1.958 64.078 62.300 -0.301 0.000 1.015 497 V CB -0.860 30.859 31.823 -0.174 0.000 0.642 497 V HN 0.406 nan 8.190 nan 0.000 0.446 498 L N -0.269 120.751 121.223 -0.339 0.000 1.989 498 L HA -0.177 4.163 4.340 0.001 0.000 0.211 498 L C 2.634 179.335 176.870 -0.283 0.000 1.071 498 L CA 1.971 56.601 54.840 -0.350 0.000 0.749 498 L CB -0.688 41.098 42.059 -0.455 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.399 119.667 120.200 -0.224 0.000 2.035 499 E HA -0.354 3.996 4.350 0.001 0.000 0.204 499 E C 2.078 178.462 176.600 -0.360 0.000 1.025 499 E CA 1.835 58.069 56.400 -0.276 0.000 0.835 499 E CB -0.518 29.154 29.700 -0.047 0.000 0.764 499 E HN 0.642 nan 8.360 nan 0.000 0.457 500 Q N 0.459 120.213 119.800 -0.077 0.000 2.376 500 Q HA -0.220 4.120 4.340 0.001 0.000 0.211 500 Q C 1.809 177.697 176.000 -0.187 0.000 0.986 500 Q CA 1.604 57.348 55.803 -0.098 0.000 0.886 500 Q CB -0.032 28.385 28.738 -0.535 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.223 119.832 120.200 -0.242 0.000 2.076 501 E HA -0.182 4.169 4.350 0.001 0.000 0.190 501 E C 1.699 178.176 176.600 -0.206 0.000 0.979 501 E CA 0.893 57.175 56.400 -0.197 0.000 0.807 501 E CB 0.168 29.752 29.700 -0.193 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.165 119.837 120.200 -0.330 0.000 2.012 502 E HA -0.148 4.202 4.350 0.001 0.000 0.197 502 E C 0.066 176.519 176.600 -0.245 0.000 1.007 502 E CA 1.002 57.163 56.400 -0.399 0.000 0.816 502 E CB -0.265 29.055 29.700 -0.633 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.227 110.030 108.800 0.005 0.000 2.148 507 G HA2 -0.158 3.802 3.960 0.001 0.000 0.157 507 G HA3 -0.158 3.802 3.960 0.001 0.000 0.157 507 G C 0.185 175.082 174.900 -0.004 0.000 1.012 507 G CA 0.063 45.166 45.100 0.004 0.000 0.677 507 G HN 0.145 nan 8.290 nan 0.000 0.506 508 I N 0.260 120.828 120.570 -0.003 0.000 2.945 508 I HA 0.340 4.511 4.170 0.001 0.000 0.292 508 I C 0.786 176.914 176.117 0.017 0.000 1.093 508 I CA -0.149 61.126 61.300 -0.041 0.000 1.336 508 I CB 0.966 38.871 38.000 -0.158 0.000 1.435 508 I HN 0.052 nan 8.210 nan 0.000 0.593 509 E N 4.423 124.641 120.200 0.030 0.000 2.267 509 E HA 0.182 4.533 4.350 0.001 0.000 0.241 509 E C -1.591 175.138 176.600 0.216 0.000 0.950 509 E CA -0.316 56.137 56.400 0.088 0.000 0.776 509 E CB 0.765 30.503 29.700 0.064 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.422 124.661 121.300 -0.102 0.000 2.619 510 W HA 0.306 4.967 4.660 0.001 0.000 0.327 510 W C -0.851 175.773 176.519 0.174 0.000 1.027 510 W CA -0.644 56.661 57.345 -0.065 0.000 1.233 510 W CB 1.473 30.667 29.460 -0.444 0.000 1.370 510 W HN 0.343 nan 8.180 nan 0.000 0.453 511 E N 4.604 124.590 120.200 -0.358 0.000 2.179 511 E HA 0.501 4.852 4.350 0.001 0.000 0.275 511 E C -1.068 175.365 176.600 -0.279 0.000 0.945 511 E CA -0.597 55.642 56.400 -0.268 0.000 0.792 511 E CB 1.973 31.538 29.700 -0.226 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.144 119.610 119.950 -0.326 0.000 2.688 512 F HA 0.508 5.035 4.527 0.001 0.000 0.308 512 F C -1.338 174.439 175.800 -0.038 0.000 1.117 512 F CA -1.231 56.621 58.000 -0.247 0.000 0.976 512 F CB 0.478 39.337 39.000 -0.236 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.494 123.041 120.570 -0.038 0.000 2.638 513 I HA 0.094 4.265 4.170 0.001 0.000 0.286 513 I C 0.496 176.340 176.117 -0.455 0.000 1.088 513 I CA -0.055 61.147 61.300 -0.163 0.000 1.397 513 I CB 0.437 38.356 38.000 -0.135 0.000 1.414 513 I HN 0.705 nan 8.210 nan 0.000 0.566 514 D N 4.588 124.335 120.400 -1.089 0.000 2.571 514 D HA -0.142 4.498 4.640 0.001 0.000 0.231 514 D C 0.555 176.366 176.300 -0.816 0.000 1.133 514 D CA 0.709 53.599 54.000 -1.849 0.000 0.862 514 D CB 0.542 40.606 40.800 -1.225 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.718 121.541 119.950 -0.211 0.000 2.710 515 F HA 0.153 4.681 4.527 0.001 0.000 0.298 515 F C 2.388 178.181 175.800 -0.011 0.000 1.137 515 F CA 0.275 58.273 58.000 -0.003 0.000 1.444 515 F CB -0.224 38.827 39.000 0.084 0.000 1.111 515 F HN 0.496 nan 8.300 nan 0.000 0.580 516 G N 0.305 109.158 108.800 0.088 0.000 2.421 516 G HA2 -0.328 3.633 3.960 0.001 0.000 0.216 516 G HA3 -0.328 3.633 3.960 0.001 0.000 0.216 516 G C 1.729 176.676 174.900 0.079 0.000 1.171 516 G CA 0.856 46.026 45.100 0.118 0.000 0.775 516 G HN 0.327 nan 8.290 nan 0.000 0.543 517 M N 0.620 120.224 119.600 0.007 0.000 2.201 517 M HA -0.222 4.258 4.480 0.001 0.000 0.251 517 M C 1.803 178.132 176.300 0.048 0.000 1.090 517 M CA 2.220 57.521 55.300 0.002 0.000 1.063 517 M CB -0.274 32.289 32.600 -0.062 0.000 1.360 517 M HN 0.147 nan 8.290 nan 0.000 0.401 518 D N -0.155 120.292 120.400 0.078 0.000 2.218 518 D HA -0.104 4.537 4.640 0.001 0.000 0.204 518 D C 1.621 177.990 176.300 0.115 0.000 0.976 518 D CA 1.318 55.378 54.000 0.100 0.000 0.853 518 D CB 0.011 40.888 40.800 0.128 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.179 121.479 121.223 0.129 0.000 2.477 519 L HA 0.161 4.501 4.340 0.001 0.000 0.220 519 L C 2.326 179.282 176.870 0.143 0.000 1.106 519 L CA 0.265 55.201 54.840 0.159 0.000 0.851 519 L CB -0.407 41.772 42.059 0.199 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.516 123.402 122.820 0.111 0.000 1.997 520 A HA -0.248 4.072 4.320 0.001 0.000 0.221 520 A C 2.569 180.210 177.584 0.095 0.000 1.172 520 A CA 1.937 54.033 52.037 0.099 0.000 0.645 520 A CB -0.751 18.291 19.000 0.069 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.048 121.824 122.820 0.087 0.000 1.851 521 A HA -0.266 4.055 4.320 0.001 0.000 0.216 521 A C 2.468 180.098 177.584 0.076 0.000 1.195 521 A CA 1.846 53.928 52.037 0.075 0.000 0.622 521 A CB -1.514 17.530 19.000 0.073 0.000 0.831 521 A HN 0.854 nan 8.150 nan 0.000 0.444 522 C N -0.611 118.745 119.300 0.093 0.000 2.432 522 C HA -0.079 4.381 4.460 0.001 0.000 0.277 522 C C 2.611 177.665 174.990 0.106 0.000 1.249 522 C CA 1.080 60.144 59.018 0.076 0.000 1.725 522 C CB -1.551 26.225 27.740 0.059 0.000 2.028 522 C HN 0.582 nan 8.230 nan 0.000 0.477 523 I N 1.476 122.155 120.570 0.182 0.000 2.127 523 I HA -0.225 3.946 4.170 0.001 0.000 0.241 523 I C 2.607 178.824 176.117 0.167 0.000 1.075 523 I CA 2.130 63.588 61.300 0.264 0.000 1.334 523 I CB -0.642 37.524 38.000 0.276 0.000 1.040 523 I HN 0.465 nan 8.210 nan 0.000 0.405 524 E N 0.692 120.958 120.200 0.110 0.000 2.097 524 E HA -0.299 4.052 4.350 0.001 0.000 0.196 524 E C 2.228 178.837 176.600 0.015 0.000 1.000 524 E CA 1.400 57.842 56.400 0.070 0.000 0.804 524 E CB -0.714 29.023 29.700 0.061 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 4.208 4.340 0.001 0.000 0.211 525 L C 2.195 178.924 176.870 -0.235 0.000 1.089 525 L CA 1.368 56.122 54.840 -0.144 0.000 0.757 525 L CB -0.103 41.872 42.059 -0.140 0.000 0.899 525 L HN 0.077 nan 8.230 nan 0.000 0.434 526 I N -1.149 119.293 120.570 -0.213 0.000 2.385 526 I HA -0.057 4.114 4.170 0.001 0.000 0.244 526 I C 1.349 177.283 176.117 -0.304 0.000 1.089 526 I CA 0.419 61.467 61.300 -0.419 0.000 1.410 526 I CB -0.221 37.395 38.000 -0.641 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.983 120.618 119.600 0.059 0.000 2.453 530 M HA 0.324 4.805 4.480 0.001 0.000 0.239 530 M C 0.749 177.140 176.300 0.152 0.000 1.151 530 M CA 0.412 55.740 55.300 0.047 0.000 0.989 530 M CB 0.116 32.692 32.600 -0.039 0.000 1.548 530 M HN 0.112 nan 8.290 nan 0.000 0.479 531 G N 0.311 109.192 108.800 0.135 0.000 2.572 531 G HA2 0.358 4.319 3.960 0.001 0.000 0.261 531 G HA3 0.358 4.319 3.960 0.001 0.000 0.261 531 G C 1.203 176.102 174.900 -0.002 0.000 1.197 531 G CA -0.689 44.439 45.100 0.047 0.000 0.870 531 G HN 0.235 nan 8.290 nan 0.000 0.548 532 I N -0.152 120.297 120.570 -0.202 0.000 2.203 532 I HA -0.354 3.816 4.170 0.001 0.000 0.237 532 I C 2.484 178.637 176.117 0.061 0.000 0.993 532 I CA 1.927 63.119 61.300 -0.179 0.000 1.277 532 I CB -0.719 37.048 38.000 -0.389 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.086 121.068 119.950 0.053 0.000 2.065 533 F HA -0.244 4.283 4.527 0.001 0.000 0.298 533 F C 3.053 178.915 175.800 0.104 0.000 1.112 533 F CA 1.829 59.885 58.000 0.093 0.000 1.212 533 F CB -1.388 37.637 39.000 0.042 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.271 116.132 115.700 0.267 0.000 2.365 534 S HA -0.214 4.256 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 1.662 59.973 58.200 0.185 0.000 1.060 534 S CB -0.644 62.636 63.200 0.133 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.053 121.729 120.570 0.176 0.000 2.300 535 I HA -0.218 3.953 4.170 0.001 0.000 0.252 535 I C 2.219 178.503 176.117 0.280 0.000 1.119 535 I CA 0.813 62.230 61.300 0.194 0.000 1.384 535 I CB -0.288 37.802 38.000 0.150 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.095 122.507 121.223 0.315 0.000 2.044 536 L HA -0.181 4.160 4.340 0.001 0.000 0.205 536 L C 2.386 179.264 176.870 0.012 0.000 1.075 536 L CA 1.841 56.732 54.840 0.085 0.000 0.747 536 L CB -0.689 41.509 42.059 0.232 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 4.225 4.350 0.001 0.000 0.194 537 E C 1.518 178.178 176.600 0.100 0.000 1.062 537 E CA 0.353 56.806 56.400 0.089 0.000 0.867 537 E CB -0.045 29.717 29.700 0.102 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.444 121.718 120.200 0.124 0.000 2.065 538 E HA -0.129 4.221 4.350 0.001 0.000 0.191 538 E C 1.648 178.396 176.600 0.246 0.000 0.960 538 E CA 0.286 56.791 56.400 0.176 0.000 0.824 538 E CB 0.203 30.009 29.700 0.178 0.000 0.793 538 E HN 0.025 nan 8.360 nan 0.000 0.459 539 E N 0.234 120.534 120.200 0.167 0.000 2.233 539 E HA -0.209 4.142 4.350 0.001 0.000 0.199 539 E C 1.672 178.376 176.600 0.173 0.000 1.004 539 E CA 0.918 57.402 56.400 0.140 0.000 0.819 539 E CB -0.267 29.446 29.700 0.021 0.000 0.738 539 E HN 0.243 nan 8.360 nan 0.000 0.478 540 C N -0.508 118.847 119.300 0.092 0.000 2.466 540 C HA 0.037 4.497 4.460 0.001 0.000 0.283 540 C C 2.172 177.219 174.990 0.095 0.000 1.472 540 C CA 0.434 59.486 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 -1.676 118.019 119.600 0.158 0.000 2.465 541 M HA 0.209 4.690 4.480 0.001 0.000 0.249 541 M C -0.285 176.009 176.300 -0.010 0.000 1.130 541 M CA 0.420 55.758 55.300 0.064 0.000 1.067 541 M CB 0.222 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 1.531 121.488 119.950 0.012 0.000 2.404 542 F HA 0.233 4.761 4.527 0.001 0.000 0.359 542 F C -1.479 174.328 175.800 0.011 0.000 1.134 542 F CA -2.255 55.754 58.000 0.014 0.000 1.160 542 F CB 0.244 39.256 39.000 0.020 0.000 1.186 542 F HN -0.021 nan 8.300 nan 0.000 0.526 543 P HA -0.186 nan 4.420 nan 0.000 0.224 543 P C 0.253 177.604 177.300 0.084 0.000 1.142 543 P CA 1.377 64.514 63.100 0.061 0.000 0.778 543 P CB 0.187 31.899 31.700 0.018 0.000 0.764 544 K N -1.242 119.235 120.400 0.129 0.000 3.012 544 K HA 0.435 4.756 4.320 0.001 0.000 0.207 544 K C -0.241 176.425 176.600 0.111 0.000 1.130 544 K CA -0.338 56.011 56.287 0.103 0.000 1.021 544 K CB 1.139 33.693 32.500 0.090 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.402 123.295 122.820 0.121 0.000 2.264 545 A HA 0.681 5.001 4.320 0.001 0.000 0.304 545 A C 0.025 177.643 177.584 0.057 0.000 1.100 545 A CA -0.062 52.024 52.037 0.081 0.000 0.839 545 A CB 0.850 19.901 19.000 0.085 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.156 114.428 114.554 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 1.475 70.373 68.868 0.050 0.000 1.152 546 T HN 0.583 nan 8.240 nan 0.000 0.510 547 D N 0.973 121.420 120.400 0.077 0.000 2.104 547 D HA -0.088 4.553 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 1.515 55.584 54.000 0.116 0.000 0.830 547 D CB -0.314 40.510 40.800 0.040 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 4.166 4.350 0.001 0.000 0.268 548 T C 2.076 176.802 174.700 0.044 0.000 1.037 548 T CA 1.827 63.959 62.100 0.052 0.000 1.144 548 T CB -0.310 68.592 68.868 0.057 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.319 117.052 115.700 0.056 0.000 2.354 549 S HA -0.116 4.354 4.470 0.001 0.000 0.219 549 S C 1.052 175.679 174.600 0.045 0.000 1.035 549 S CA 0.473 58.692 58.200 0.031 0.000 1.037 549 S CB -0.902 62.307 63.200 0.016 0.000 0.956 549 S HN 0.371 nan 8.310 nan 0.000 0.428 555 Y N 0.936 121.145 120.300 -0.152 0.000 2.114 555 Y HA -0.091 4.460 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 1.713 59.785 58.100 -0.046 0.000 1.108 555 Y CB -0.671 37.816 38.460 0.045 0.000 0.995 555 Y HN 0.143 nan 8.280 nan 0.000 0.491 556 D N -0.141 120.311 120.400 0.086 0.000 2.244 556 D HA -0.246 4.394 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 1.974 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 0.495 nan 8.370 nan 0.000 0.452 557 E N -1.470 118.603 120.200 -0.212 0.000 2.307 557 E HA -0.042 4.309 4.350 0.001 0.000 0.195 557 E C 1.525 177.771 176.600 -0.590 0.000 0.975 557 E CA 0.734 56.897 56.400 -0.394 0.000 0.878 557 E CB 0.228 29.631 29.700 -0.496 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.709 118.122 119.070 -0.398 0.000 2.788 558 H HA 0.225 4.781 4.556 0.001 0.000 0.262 558 H C 0.240 175.409 175.328 -0.265 0.000 0.968 558 H CA -0.163 55.554 56.048 -0.552 0.000 1.218 558 H CB 0.262 29.252 29.762 -1.287 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.243 122.498 121.223 0.054 0.000 2.499 559 L HA 0.160 4.501 4.340 0.001 0.000 0.273 559 L C 1.306 178.270 176.870 0.157 0.000 1.195 559 L CA 1.120 56.158 54.840 0.331 0.000 0.882 559 L CB 0.340 42.650 42.059 0.418 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.022 111.925 108.800 0.173 0.000 2.347 560 G HA2 -0.331 3.629 3.960 0.001 0.000 0.247 560 G HA3 -0.331 3.629 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 0.543 45.701 45.100 0.097 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.148 120.589 120.400 0.068 0.000 2.323 561 K HA 0.304 4.624 4.320 0.001 0.000 0.197 561 K C 0.417 177.060 176.600 0.071 0.000 1.043 561 K CA 0.666 56.977 56.287 0.041 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 0.048 115.822 115.700 0.124 0.000 2.532 562 S HA 0.213 4.684 4.470 0.001 0.000 0.299 562 S C 0.224 174.936 174.600 0.186 0.000 1.105 562 S CA -0.643 57.647 58.200 0.150 0.000 1.018 562 S CB 1.773 65.069 63.200 0.160 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.754 121.534 118.700 0.134 0.000 2.250 563 N HA -0.035 4.706 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 0.751 53.870 53.050 0.115 0.000 0.866 563 N CB 0.008 38.545 38.487 0.084 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.855 117.923 118.700 0.129 0.000 2.494 564 N HA -0.025 4.716 4.740 0.001 0.000 0.182 564 N C -0.619 174.981 175.510 0.151 0.000 1.076 564 N CA 0.174 53.292 53.050 0.113 0.000 0.908 564 N CB 0.163 38.699 38.487 0.082 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.653 121.624 119.950 0.036 0.000 2.404 565 F HA 0.359 4.886 4.527 0.000 0.000 0.345 565 F C -0.134 175.728 175.800 0.103 0.000 1.110 565 F CA -0.252 57.781 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 4.170 123.707 119.800 -0.438 0.000 2.482 566 Q HA 0.268 4.608 4.340 0.001 0.000 0.286 566 Q C -1.442 174.422 176.000 -0.226 0.000 1.007 566 Q CA -1.301 54.387 55.803 -0.191 0.000 0.801 566 Q CB 2.991 31.693 28.738 -0.060 0.000 1.455 566 Q HN 0.641 nan 8.270 nan 0.000 0.398 567 K N 0.560 120.928 120.400 -0.052 0.000 2.172 567 K HA 0.576 4.896 4.320 0.001 0.000 0.276 567 K C -2.542 174.056 176.600 -0.003 0.000 1.013 567 K CA -1.686 54.617 56.287 0.028 0.000 0.913 567 K CB 0.770 33.284 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 -0.995 176.287 177.300 -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 3.187 123.567 120.400 -0.033 0.000 2.250 569 K HA 0.160 4.481 4.320 0.001 0.000 0.285 569 K C -1.606 174.974 176.600 -0.033 0.000 1.097 569 K CA -1.561 54.710 56.287 -0.026 0.000 0.913 569 K CB 0.592 33.081 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 -0.289 177.002 177.300 -0.015 0.000 1.156 570 P CA 0.517 63.597 63.100 -0.032 0.000 0.787 570 P CB 0.428 32.109 31.700 -0.033 0.000 0.802 571 A N -1.170 121.644 122.820 -0.009 0.000 2.384 571 A HA 0.763 5.083 4.320 0.001 0.000 0.312 571 A C 0.212 177.797 177.584 0.002 0.000 1.113 571 A CA -0.280 51.756 52.037 -0.001 0.000 0.779 571 A CB 1.681 20.681 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 -0.086 4.234 4.320 0.001 0.000 0.228 572 K C 0.900 177.510 176.600 0.016 0.000 1.590 572 K CA 0.182 56.475 56.287 0.010 0.000 0.932 572 K CB -1.039 31.466 32.500 0.008 0.000 0.482 572 K HN 1.011 nan 8.250 nan 0.000 0.444 573 G N 1.836 110.648 108.800 0.020 0.000 3.088 573 G HA2 0.137 4.097 3.960 0.001 0.000 0.217 573 G HA3 0.137 4.097 3.960 0.001 0.000 0.217 573 G C -0.100 174.826 174.900 0.044 0.000 1.159 573 G CA 0.080 45.198 45.100 0.029 0.000 0.760 573 G HN 0.082 nan 8.290 nan 0.000 0.550 574 K N -0.219 120.204 120.400 0.037 0.000 2.126 574 K HA 0.543 4.864 4.320 0.001 0.000 0.257 574 K C 0.932 177.573 176.600 0.069 0.000 1.007 574 K CA 0.055 56.374 56.287 0.053 0.000 0.928 574 K CB 1.668 34.177 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 0.122 0.000 2.108 575 A HA 0.084 4.405 4.320 0.001 0.000 0.206 575 A C 0.526 178.177 177.584 0.111 0.000 1.212 575 A CA 0.692 52.809 52.037 0.135 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 -2.461 117.795 120.200 0.094 0.000 2.394 576 E HA 0.620 4.970 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 1.471 31.182 29.700 0.018 0.000 1.659 576 E HN 0.289 nan 8.360 nan 0.000 0.462 577 A N 0.534 123.196 122.820 -0.263 0.000 2.324 577 A HA 0.672 4.992 4.320 0.001 0.000 0.330 577 A C -0.637 176.463 177.584 -0.806 0.000 1.165 577 A CA -0.093 51.746 52.037 -0.329 0.000 0.813 577 A CB 0.614 19.490 19.000 -0.206 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.595 119.661 119.070 -0.006 0.000 1.718 578 H HA 0.157 4.714 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 0.987 57.061 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 1.374 121.332 119.950 0.014 0.000 2.680 579 F HA 0.577 5.104 4.527 0.000 0.000 0.315 579 F C -1.595 174.182 175.800 -0.040 0.000 1.099 579 F CA -1.064 56.861 58.000 -0.126 0.000 1.033 579 F CB 1.031 39.847 39.000 -0.307 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.417 119.111 115.700 -0.010 0.000 2.593 580 S HA 0.899 5.370 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 -0.760 57.440 58.200 0.000 0.000 1.043 580 S CB 2.260 65.439 63.200 -0.036 0.000 1.054 580 S HN 0.748 nan 8.310 nan 0.000 0.516 581 L N 1.225 122.578 121.223 0.217 0.000 2.354 581 L HA 0.579 4.919 4.340 0.001 0.000 0.264 581 L C -0.832 176.130 176.870 0.153 0.000 1.008 581 L CA -0.617 54.343 54.840 0.200 0.000 0.819 581 L CB 2.300 44.516 42.059 0.262 0.000 1.339 581 L HN 0.632 nan 8.230 nan 0.000 0.420 582 V N 3.027 122.983 119.914 0.070 0.000 2.217 582 V HA 0.315 4.435 4.120 0.001 0.000 0.264 582 V C 0.145 176.290 176.094 0.085 0.000 1.107 582 V CA -0.656 61.701 62.300 0.093 0.000 0.913 582 V CB -0.364 31.506 31.823 0.078 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.687 121.839 119.070 0.136 0.000 2.544 583 H HA 0.103 4.660 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 0.224 56.326 56.048 0.089 0.000 1.400 583 H CB 1.234 31.125 29.762 0.216 0.000 1.538 583 H HN 0.666 nan 8.280 nan 0.000 0.597 584 Y N -0.038 120.327 120.300 0.109 0.000 2.207 584 Y HA -0.163 4.388 4.550 0.001 0.000 0.287 584 Y C 2.211 178.025 175.900 -0.143 0.000 1.156 584 Y CA 1.084 59.174 58.100 -0.016 0.000 1.182 584 Y CB -0.908 37.543 38.460 -0.015 0.000 0.979 584 Y HN 0.527 nan 8.280 nan 0.000 0.521 585 A N 0.516 122.740 122.820 -0.995 0.000 2.014 585 A HA 0.433 4.753 4.320 0.001 0.000 0.218 585 A C 1.581 178.953 177.584 -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 -1.553 0.000 0.808 585 A HN 0.984 nan 8.150 nan 0.000 0.449 586 G N -2.862 105.807 108.800 -0.220 0.000 2.350 586 G HA2 0.330 4.290 3.960 0.001 0.000 0.276 586 G HA3 0.330 4.290 3.960 0.001 0.000 0.276 586 G C -0.772 174.194 174.900 0.110 0.000 1.313 586 G CA -0.109 44.978 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 4.900 4.350 0.001 0.000 0.293 587 T C -0.056 174.672 174.700 0.048 0.000 0.945 587 T CA -0.101 62.057 62.100 0.096 0.000 1.030 587 T CB 1.200 70.092 68.868 0.040 0.000 0.912 587 T HN 0.729 nan 8.240 nan 0.000 0.483 588 V N 4.430 124.375 119.914 0.053 0.000 2.417 588 V HA 0.317 4.438 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 -0.261 0.000 0.861 588 V CB 1.811 33.331 31.823 -0.504 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 0.327 4.967 4.640 0.001 0.000 0.235 589 D C -0.933 175.074 176.300 -0.487 0.000 1.149 589 D CA 0.111 53.903 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 1.287 121.304 120.300 -0.471 0.000 2.342 590 Y HA 0.169 4.719 4.550 0.001 0.000 0.334 590 Y C 1.007 176.657 175.900 -0.418 0.000 1.067 590 Y CA -0.875 56.902 58.100 -0.538 0.000 1.128 590 Y CB 1.192 39.152 38.460 -0.833 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.959 122.601 118.700 -0.097 0.000 2.424 591 N HA 0.276 5.016 4.740 0.001 0.000 0.271 591 N C -1.104 174.227 175.510 -0.297 0.000 0.985 591 N CA -0.305 52.749 53.050 0.006 0.000 0.921 591 N CB 0.787 39.216 38.487 -0.097 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.861 122.894 120.570 -0.896 0.000 2.261 592 I HA 0.050 4.221 4.170 0.001 0.000 0.285 592 I C 0.197 175.816 176.117 -0.829 0.000 1.113 592 I CA -0.229 60.166 61.300 -1.508 0.000 1.377 592 I CB 0.045 37.387 38.000 -1.097 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.288 117.822 115.700 -0.277 0.000 2.652 593 S HA 0.693 5.163 4.470 0.001 0.000 0.252 593 S C 0.279 175.050 174.600 0.286 0.000 1.219 593 S CA 0.079 58.303 58.200 0.041 0.000 1.151 593 S CB 1.283 64.534 63.200 0.085 0.000 1.080 593 S HN 0.804 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 3.788 3.960 0.001 0.000 0.172 594 G HA3 -0.173 3.788 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 0.778 121.987 121.300 -0.152 0.000 2.317 595 W HA 0.115 4.776 4.660 0.002 0.000 0.318 595 W C 2.394 178.652 176.519 -0.434 0.000 1.227 595 W CA 1.490 58.621 57.345 -0.357 0.000 1.269 595 W CB -1.306 28.003 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 -0.080 0.000 1.997 596 L HA -0.195 4.145 4.340 0.001 0.000 0.216 596 L C 1.688 178.485 176.870 -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 0.369 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 -0.373 62.750 63.100 0.039 0.000 0.764 602 P CB 0.687 32.399 31.700 0.020 0.000 0.825 603 L N 2.991 124.233 121.223 0.032 0.000 2.436 603 L HA 0.315 4.656 4.340 0.001 0.000 0.268 603 L C 0.103 176.950 176.870 -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 -0.005 0.000 1.291 603 L HN 0.317 nan 8.230 nan 0.000 0.406 604 N N 2.172 120.830 118.700 -0.070 0.000 2.406 604 N HA -0.031 4.709 4.740 0.001 0.000 0.274 604 N C 0.622 176.043 175.510 -0.148 0.000 1.249 604 N CA 0.481 53.472 53.050 -0.098 0.000 0.951 604 N CB 0.495 38.921 38.487 -0.101 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.612 121.748 120.200 -0.107 0.000 2.265 605 E HA -0.138 4.213 4.350 0.001 0.000 0.196 605 E C 0.917 177.433 176.600 -0.140 0.000 0.996 605 E CA 1.323 57.656 56.400 -0.112 0.000 0.832 605 E CB 0.173 29.849 29.700 -0.040 0.000 0.756 605 E HN 0.665 nan 8.360 nan 0.000 0.491 606 T N 0.108 114.584 114.554 -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 1.148 63.175 62.100 -0.122 0.000 1.144 606 T CB -0.158 68.658 68.868 -0.085 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.177 121.932 119.914 -0.265 0.000 2.287 607 V HA -0.158 3.962 4.120 0.001 0.000 0.248 607 V C 2.490 178.131 176.094 -0.755 0.000 1.053 607 V CA 1.421 63.460 62.300 -0.434 0.000 1.027 607 V CB -0.754 30.807 31.823 -0.437 0.000 0.646 607 V HN 0.496 nan 8.190 nan 0.000 0.447 608 I N 1.002 121.125 120.570 -0.745 0.000 2.315 608 I HA -0.229 3.941 4.170 0.001 0.000 0.251 608 I C 2.565 178.413 176.117 -0.450 0.000 1.125 608 I CA 1.779 62.582 61.300 -0.829 0.000 1.392 608 I CB -1.362 36.310 38.000 -0.546 0.000 1.065 608 I HN 0.461 nan 8.210 nan 0.000 0.424 609 G N 1.587 110.212 108.800 -0.291 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 1.531 176.368 174.900 -0.105 0.000 1.183 609 G CA 0.447 45.465 45.100 -0.138 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.006 121.143 121.223 -0.143 0.000 2.043 610 L HA -0.088 4.252 4.340 0.001 0.000 0.212 610 L C 2.718 179.633 176.870 0.074 0.000 1.075 610 L CA 0.921 55.737 54.840 -0.039 0.000 0.752 610 L CB -1.346 40.692 42.059 -0.034 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.253 119.979 120.300 -0.114 0.000 2.128 611 Y HA -0.153 4.398 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 -0.107 0.000 1.149 611 Y CB -1.167 37.118 38.460 -0.291 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.610 116.313 115.700 0.006 0.000 2.528 615 S HA 0.253 4.723 4.470 0.001 0.000 0.219 615 S C 0.726 175.312 174.600 -0.024 0.000 0.985 615 S CA 0.123 58.321 58.200 -0.004 0.000 0.914 615 S CB -0.119 63.080 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 -0.268 0.000 2.042 619 L HA 0.268 4.609 4.340 0.001 0.000 0.210 619 L C 2.519 179.362 176.870 -0.045 0.000 1.076 619 L CA 2.729 57.460 54.840 -0.181 0.000 0.749 619 L CB -0.949 41.013 42.059 -0.163 0.000 0.893 619 L HN 0.388 nan 8.230 nan 0.000 0.432 620 A N -0.671 122.126 122.820 -0.038 0.000 1.883 620 A HA -0.209 4.111 4.320 0.001 0.000 0.217 620 A C 2.238 179.847 177.584 0.040 0.000 1.186 620 A CA 2.060 54.120 52.037 0.039 0.000 0.624 620 A CB -0.969 18.041 19.000 0.016 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.961 120.225 121.223 -0.063 0.000 1.970 621 L HA -0.193 4.147 4.340 0.001 0.000 0.212 621 L C 2.332 179.166 176.870 -0.061 0.000 1.071 621 L CA 1.590 56.384 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 4.047 4.340 0.001 0.000 0.216 622 L C 2.161 178.971 176.870 -0.099 0.000 1.084 622 L CA 1.899 56.601 54.840 -0.230 0.000 0.771 622 L CB -0.896 40.943 42.059 -0.366 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.684 118.340 119.950 0.124 0.000 2.664 623 F HA 0.127 4.655 4.527 0.001 0.000 0.296 623 F C 2.191 178.171 175.800 0.300 0.000 1.125 623 F CA 0.467 58.635 58.000 0.280 0.000 1.444 623 F CB -0.545 38.569 39.000 0.190 0.000 1.114 623 F HN 0.015 nan 8.300 nan 0.000 0.576 624 A N -0.027 122.962 122.820 0.282 0.000 1.909 624 A HA -0.392 3.928 4.320 0.001 0.000 0.221 624 A C 2.337 180.007 177.584 0.144 0.000 1.223 624 A CA 2.841 54.981 52.037 0.171 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 -2.484 112.125 114.554 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 1.799 63.874 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 4.727 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 0.273 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.438 108.527 108.800 0.275 0.000 2.432 627 G HA2 -0.188 3.772 3.960 0.001 0.000 0.219 627 G HA3 -0.188 3.772 3.960 0.001 0.000 0.219 627 G C 1.931 176.884 174.900 0.089 0.000 1.135 627 G CA 0.933 46.126 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.125 108.964 108.800 0.066 0.000 2.511 628 G HA2 0.048 4.009 3.960 0.001 0.000 0.217 628 G HA3 0.048 4.009 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 0.528 45.642 45.100 0.024 0.000 0.792 628 G HN 0.529 nan 8.290 nan 0.000 0.539 629 E N 0.337 120.538 120.200 0.001 0.000 2.447 629 E HA 0.237 4.588 4.350 0.001 0.000 0.195 629 E C 2.608 179.215 176.600 0.012 0.000 1.028 629 E CA 0.234 56.622 56.400 -0.020 0.000 0.876 629 E CB 0.214 29.878 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 4.061 4.320 0.001 0.000 0.220 630 A C 1.864 179.459 177.584 0.019 0.000 1.164 630 A CA 1.306 53.366 52.037 0.039 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 -0.703 119.504 120.200 0.011 0.000 2.097 631 E HA -0.187 4.163 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 0.989 57.391 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 0.433 109.229 108.800 -0.006 0.000 2.471 632 G HA2 -0.118 3.842 3.960 0.001 0.000 0.219 632 G HA3 -0.118 3.842 3.960 0.001 0.000 0.219 632 G C 1.048 175.944 174.900 -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 -0.264 108.536 108.800 0.001 0.000 4.637 633 G HA2 0.434 4.394 3.960 0.001 0.000 0.294 633 G HA3 0.434 4.394 3.960 0.001 0.000 0.294 633 G C 1.088 175.991 174.900 0.005 0.000 1.215 633 G CA 0.647 45.750 45.100 0.004 0.000 0.943 633 G HN 0.334 nan 8.290 nan 0.000 0.572 634 G N 0.680 109.481 108.800 0.001 0.000 2.446 634 G HA2 0.232 4.193 3.960 0.001 0.000 0.217 634 G HA3 0.232 4.193 3.960 0.001 0.000 0.217 634 G C 0.938 175.838 174.900 -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 -0.828 107.969 108.800 -0.005 0.000 2.471 635 G HA2 0.522 4.482 3.960 0.001 0.000 0.332 635 G HA3 0.522 4.482 3.960 0.001 0.000 0.332 635 G C -0.559 174.335 174.900 -0.009 0.000 1.176 635 G CA -0.863 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 1.394 121.788 120.400 -0.009 0.000 2.511 636 K HA 0.220 4.540 4.320 0.001 0.000 0.280 636 K C -0.053 176.535 176.600 -0.020 0.000 1.008 636 K CA 0.826 57.106 56.287 -0.011 0.000 1.050 636 K CB 0.241 32.736 32.500 -0.009 0.000 0.889 636 K HN 0.658 nan 8.250 nan 0.000 0.484 637 K N -0.328 120.058 120.400 -0.023 0.000 7.478 637 K HA -0.114 4.206 4.320 0.001 0.000 1.018 637 K C 0.167 176.739 176.600 -0.047 0.000 1.997 637 K CA -0.010 56.250 56.287 -0.044 0.000 1.165 637 K CB -1.238 31.228 32.500 -0.056 0.000 2.198 637 K HN 0.978 nan 8.250 nan 0.000 0.323 638 G N -0.934 107.828 108.800 -0.062 0.000 2.482 638 G HA2 0.264 4.224 3.960 0.001 0.000 0.214 638 G HA3 0.264 4.224 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 0.042 45.110 45.100 -0.053 0.000 0.944 638 G HN 1.270 nan 8.290 nan 0.000 0.568 639 G N -0.622 108.163 108.800 -0.024 0.000 2.644 639 G HA2 0.614 4.574 3.960 0.001 0.000 0.300 639 G HA3 0.614 4.574 3.960 0.001 0.000 0.300 639 G C 0.478 175.375 174.900 -0.005 0.000 1.395 639 G CA 0.344 45.437 45.100 -0.012 0.000 0.964 639 G HN 0.697 nan 8.290 nan 0.000 0.511 640 K N 1.316 121.721 120.400 0.008 0.000 2.211 640 K HA -0.066 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 0.835 57.128 56.287 0.011 0.000 0.945 640 K CB 0.188 32.715 32.500 0.045 0.000 0.732 640 K HN 0.408 nan 8.250 nan 0.000 0.451 641 K N 1.132 121.515 120.400 -0.030 0.000 2.283 641 K HA -0.097 4.224 4.320 0.001 0.000 0.202 641 K C 1.680 178.245 176.600 -0.058 0.000 1.048 641 K CA 0.940 57.190 56.287 -0.063 0.000 0.948 641 K CB 0.020 32.493 32.500 -0.045 0.000 0.742 641 K HN 0.115 nan 8.250 nan 0.000 0.458 642 K N -0.056 120.321 120.400 -0.038 0.000 2.160 642 K HA -0.141 4.179 4.320 0.001 0.000 0.206 642 K C 1.845 178.424 176.600 -0.036 0.000 1.047 642 K CA 1.396 57.664 56.287 -0.032 0.000 0.930 642 K CB -0.064 32.423 32.500 -0.022 0.000 0.720 642 K HN 0.273 nan 8.250 nan 0.000 0.450 643 G N -0.465 108.311 108.800 -0.041 0.000 3.377 643 G HA2 0.056 4.017 3.960 0.001 0.000 0.257 643 G HA3 0.056 4.017 3.960 0.001 0.000 0.257 643 G C 0.137 174.995 174.900 -0.070 0.000 1.038 643 G CA 0.335 45.410 45.100 -0.041 0.000 0.809 643 G HN 0.186 nan 8.290 nan 0.000 0.526 644 S N -1.236 114.399 115.700 -0.108 0.000 2.872 644 S HA -0.210 4.260 4.470 0.001 0.000 0.270 644 S C 0.453 174.882 174.600 -0.286 0.000 1.345 644 S CA 0.432 58.519 58.200 -0.188 0.000 1.080 644 S CB -2.675 60.428 63.200 -0.162 0.000 1.328 644 S HN 1.637 nan 8.310 nan 0.000 0.692 645 S N 0.836 116.419 115.700 -0.196 0.000 2.586 645 S HA 0.763 5.233 4.470 0.001 0.000 0.274 645 S C 0.050 174.537 174.600 -0.188 0.000 1.281 645 S CA -0.828 57.273 58.200 -0.165 0.000 1.035 645 S CB 0.213 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 1.469 121.421 119.950 0.004 0.000 2.518 646 F HA 0.209 4.736 4.527 0.001 0.000 0.359 646 F C 1.834 177.651 175.800 0.028 0.000 1.118 646 F CA 0.039 58.049 58.000 0.016 0.000 1.287 646 F CB 0.472 39.489 39.000 0.028 0.000 1.132 646 F HN 0.706 nan 8.300 nan 0.000 0.587 647 Q N 0.085 120.000 119.800 0.191 0.000 2.392 647 Q HA 0.103 4.444 4.340 0.001 0.000 0.219 647 Q C 0.372 176.442 176.000 0.116 0.000 0.895 647 Q CA 0.403 56.277 55.803 0.119 0.000 0.929 647 Q CB 0.897 29.678 28.738 0.072 0.000 1.077 647 Q HN 0.675 nan 8.270 nan 0.000 0.532 648 T N -0.797 113.843 114.554 0.144 0.000 2.900 648 T HA 0.246 4.596 4.350 0.001 0.000 0.295 648 T C 0.116 174.869 174.700 0.088 0.000 1.044 648 T CA -0.495 61.662 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 3.479 123.412 119.914 0.032 0.000 3.592 649 V HA 0.091 4.212 4.120 0.001 0.000 0.272 649 V C 1.467 177.638 176.094 0.129 0.000 1.228 649 V CA 1.912 64.240 62.300 0.046 0.000 1.173 649 V CB -0.467 31.343 31.823 -0.021 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.525 113.229 115.700 0.090 0.000 2.546 650 S HA 0.243 4.713 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 63.293 63.200 -0.187 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 4.467 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 1.627 53.721 52.037 0.095 0.000 0.631 651 A CB -0.783 18.311 19.000 0.157 0.000 0.814 651 A HN 0.496 nan 8.150 nan 0.000 0.446 652 L N -2.624 118.709 121.223 0.185 0.000 2.071 652 L HA 0.004 4.344 4.340 0.001 0.000 0.201 652 L C 2.300 179.262 176.870 0.154 0.000 1.076 652 L CA 1.146 56.105 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 1.387 121.349 119.950 0.019 0.000 2.076 653 F HA -0.398 4.129 4.527 0.001 0.000 0.294 653 F C 2.579 178.400 175.800 0.035 0.000 1.078 653 F CA 1.966 59.973 58.000 0.012 0.000 1.247 653 F CB -0.438 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 -0.232 0.000 2.070 654 R HA -0.178 4.162 4.340 0.001 0.000 0.233 654 R C 2.273 178.489 176.300 -0.140 0.000 1.137 654 R CA 1.798 57.767 56.100 -0.218 0.000 0.945 654 R CB -0.732 29.542 30.300 -0.045 0.000 0.845 654 R HN 0.403 nan 8.270 nan 0.000 0.430 655 E N 0.297 120.475 120.200 -0.037 0.000 2.118 655 E HA -0.201 4.150 4.350 0.001 0.000 0.195 655 E C 1.474 178.073 176.600 -0.002 0.000 0.992 655 E CA 1.625 58.026 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 -0.414 118.294 118.700 0.013 0.000 2.135 656 N HA -0.122 4.618 4.740 0.001 0.000 0.186 656 N C 1.612 177.106 175.510 -0.026 0.000 1.027 656 N CA 0.496 53.597 53.050 0.085 0.000 0.849 656 N CB -0.049 38.582 38.487 0.240 0.000 1.002 656 N HN 0.071 nan 8.380 nan 0.000 0.425 657 L N 1.199 122.276 121.223 -0.243 0.000 2.450 657 L HA 0.054 4.395 4.340 0.001 0.000 0.224 657 L C -0.104 176.600 176.870 -0.278 0.000 1.149 657 L CA 1.192 55.789 54.840 -0.405 0.000 0.816 657 L CB -0.697 40.962 42.059 -0.667 0.000 0.932 657 L HN 0.065 nan 8.230 nan 0.000 0.449 661 M N 0.893 120.302 119.600 -0.319 0.000 2.435 661 M HA 0.019 4.500 4.480 0.001 0.000 0.262 661 M C 1.952 178.096 176.300 -0.260 0.000 1.065 661 M CA 1.635 56.722 55.300 -0.355 0.000 1.076 661 M CB -1.270 31.142 32.600 -0.313 0.000 1.403 661 M HN 0.568 nan 8.290 nan 0.000 0.454 662 A N -0.232 122.497 122.820 -0.151 0.000 1.943 662 A HA -0.044 4.276 4.320 0.001 0.000 0.213 662 A C 2.005 179.583 177.584 -0.010 0.000 1.181 662 A CA 0.922 52.921 52.037 -0.063 0.000 0.653 662 A CB -0.354 18.632 19.000 -0.023 0.000 0.833 662 A HN 0.380 nan 8.150 nan 0.000 0.451 663 N N -0.164 118.535 118.700 -0.003 0.000 2.270 663 N HA -0.054 4.687 4.740 0.001 0.000 0.181 663 N C 1.385 176.987 175.510 0.154 0.000 1.016 663 N CA 0.752 53.890 53.050 0.146 0.000 0.870 663 N CB -0.233 38.373 38.487 0.199 0.000 0.979 663 N HN 0.276 nan 8.380 nan 0.000 0.431 664 L N 1.466 122.641 121.223 -0.080 0.000 2.141 664 L HA 0.009 4.350 4.340 0.001 0.000 0.209 664 L C 2.167 179.001 176.870 -0.061 0.000 1.094 664 L CA 1.187 55.913 54.840 -0.190 0.000 0.763 664 L CB -0.347 41.331 42.059 -0.635 0.000 0.908 664 L HN 0.082 nan 8.230 nan 0.000 0.437 665 R N -1.007 119.476 120.500 -0.029 0.000 2.062 665 R HA -0.005 4.335 4.340 0.001 0.000 0.229 665 R C 1.583 177.973 176.300 0.149 0.000 1.128 665 R CA 1.353 57.534 56.100 0.135 0.000 0.960 665 R CB -0.504 29.845 30.300 0.081 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.733 116.507 115.700 0.123 0.000 3.009 666 S HA 0.061 4.532 4.470 0.001 0.000 0.243 666 S C 0.044 174.690 174.600 0.076 0.000 1.012 666 S CA 0.088 58.356 58.200 0.114 0.000 1.113 666 S CB 0.033 63.323 63.200 0.150 0.000 0.827 666 S HN 0.088 nan 8.310 nan 0.000 0.495 667 T N 1.201 115.809 114.554 0.090 0.000 2.906 667 T HA 0.271 4.621 4.350 0.001 0.000 0.295 667 T C -0.922 173.830 174.700 0.086 0.000 1.061 667 T CA -0.663 61.463 62.100 0.044 0.000 1.000 667 T CB 1.428 70.353 68.868 0.094 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.896 122.891 119.070 -0.126 0.000 2.872 668 H HA 0.281 4.838 4.556 0.001 0.000 0.273 668 H C -2.355 172.729 175.328 -0.407 0.000 1.205 668 H CA -2.551 53.352 56.048 -0.242 0.000 1.342 668 H CB 0.546 30.143 29.762 -0.274 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.013 nan 4.420 nan 0.000 0.267 669 P C -0.881 175.798 177.300 -1.035 0.000 1.205 669 P CA 0.499 63.202 63.100 -0.660 0.000 0.765 669 P CB 0.649 31.864 31.700 -0.807 0.000 0.828 670 H N 2.870 121.568 119.070 -0.621 0.000 2.727 670 H HA 0.340 4.897 4.556 0.001 0.000 0.330 670 H C -0.473 174.654 175.328 -0.335 0.000 0.986 670 H CA -0.304 55.512 56.048 -0.387 0.000 1.251 670 H CB 0.623 30.246 29.762 -0.232 0.000 1.493 670 H HN 0.281 nan 8.280 nan 0.000 0.515 671 F N 1.906 121.984 119.950 0.214 0.000 2.421 671 F HA 0.418 4.945 4.527 0.001 0.000 0.337 671 F C 0.309 176.277 175.800 0.279 0.000 1.105 671 F CA -0.773 57.392 58.000 0.275 0.000 1.049 671 F CB 1.589 40.827 39.000 0.396 0.000 1.139 671 F HN 0.089 nan 8.300 nan 0.000 0.479 672 V N 3.973 124.121 119.914 0.391 0.000 2.524 672 V HA 0.519 4.639 4.120 0.001 0.000 0.297 672 V C -0.734 175.446 176.094 0.143 0.000 1.035 672 V CA -0.897 61.545 62.300 0.236 0.000 0.867 672 V CB 1.661 33.565 31.823 0.134 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.544 123.078 120.500 0.056 0.000 2.288 673 R HA 0.555 4.895 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 -0.686 55.367 56.100 -0.080 0.000 0.834 673 R CB 1.130 31.237 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 5.035 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 -0.611 58.393 59.018 -0.023 0.000 1.935 674 C CB -0.257 27.485 27.740 0.004 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.224 123.739 120.570 -0.092 0.000 2.740 675 I HA 0.517 4.688 4.170 0.001 0.000 0.303 675 I C -0.260 175.770 176.117 -0.146 0.000 1.044 675 I CA -0.313 60.914 61.300 -0.122 0.000 1.064 675 I CB 1.475 39.379 38.000 -0.161 0.000 1.249 675 I HN 0.577 nan 8.210 nan 0.000 0.433 676 I N 7.502 128.006 120.570 -0.111 0.000 2.420 676 I HA 0.361 4.532 4.170 0.001 0.000 0.282 676 I C -1.915 174.162 176.117 -0.068 0.000 1.019 676 I CA -2.351 58.903 61.300 -0.077 0.000 1.130 676 I CB 2.061 40.069 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 -0.821 176.503 177.300 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 -2.436 116.359 118.700 0.158 0.000 2.287 678 N HA 0.193 4.934 4.740 0.001 0.000 0.289 678 N C 0.164 175.738 175.510 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 39.593 38.487 0.109 0.000 1.599 678 N HN -0.186 nan 8.380 nan 0.000 0.476 679 E N -0.120 120.109 120.200 0.047 0.000 2.219 679 E HA -0.169 4.181 4.350 0.001 0.000 0.198 679 E C 0.571 177.162 176.600 -0.016 0.000 0.998 679 E CA 1.616 58.029 56.400 0.022 0.000 0.818 679 E CB -0.100 29.603 29.700 0.005 0.000 0.741 679 E HN 0.836 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 0.652 63.986 63.100 0.391 0.000 0.788 683 P CB 0.278 32.196 31.700 0.363 0.000 0.949 684 G N -0.405 108.352 108.800 -0.073 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 0.265 175.029 174.900 -0.226 0.000 1.000 684 G CA 0.366 45.081 45.100 -0.642 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 0.219 0.000 2.430 685 A HA 0.991 5.311 4.320 0.001 0.000 0.300 685 A C -0.446 177.326 177.584 0.312 0.000 1.124 685 A CA -0.058 52.119 52.037 0.234 0.000 0.766 685 A CB 1.861 20.942 19.000 0.135 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.105 120.790 119.600 0.141 0.000 2.255 686 M HA 0.327 4.808 4.480 0.001 0.000 0.275 686 M C -1.510 174.805 176.300 0.024 0.000 1.050 686 M CA 0.084 55.425 55.300 0.068 0.000 0.978 686 M CB 1.713 34.349 32.600 0.060 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.095 123.300 120.200 0.008 0.000 2.331 687 E HA 0.202 4.552 4.350 0.001 0.000 0.272 687 E C -0.031 176.606 176.600 0.061 0.000 1.036 687 E CA -0.349 56.031 56.400 -0.033 0.000 0.864 687 E CB 0.975 30.655 29.700 -0.033 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.938 120.963 119.070 -0.075 0.000 2.312 688 H HA -0.155 4.402 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 0.978 56.972 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 1.334 121.623 120.200 0.148 0.000 2.273 689 E HA -0.206 4.145 4.350 0.001 0.000 0.198 689 E C 2.206 178.896 176.600 0.150 0.000 1.002 689 E CA 0.882 57.354 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 0.073 121.344 121.223 0.080 0.000 2.044 690 L HA -0.130 4.211 4.340 0.001 0.000 0.205 690 L C 2.318 179.220 176.870 0.054 0.000 1.075 690 L CA 1.065 55.932 54.840 0.046 0.000 0.747 690 L CB -0.131 41.932 42.059 0.006 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.009 119.934 119.914 0.019 0.000 2.427 691 V HA -0.258 3.862 4.120 0.001 0.000 0.248 691 V C 2.553 178.632 176.094 -0.025 0.000 1.051 691 V CA 1.766 64.047 62.300 -0.032 0.000 1.048 691 V CB -0.602 31.172 31.823 -0.082 0.000 0.666 691 V HN 0.424 nan 8.190 nan 0.000 0.456 692 L N -0.730 120.492 121.223 -0.002 0.000 2.013 692 L HA -0.262 4.078 4.340 0.001 0.000 0.212 692 L C 2.584 179.420 176.870 -0.058 0.000 1.073 692 L CA 2.003 56.826 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 -0.093 118.951 119.070 -0.043 0.000 2.251 693 H HA -0.236 4.321 4.556 0.001 0.000 0.294 693 H C 2.422 177.715 175.328 -0.060 0.000 1.078 693 H CA 2.230 58.251 56.048 -0.045 0.000 1.246 693 H CB -0.121 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 -0.340 119.510 119.800 0.084 0.000 2.133 694 Q HA -0.193 4.148 4.340 0.001 0.000 0.208 694 Q C 2.260 178.216 176.000 -0.073 0.000 0.991 694 Q CA 1.501 57.304 55.803 -0.001 0.000 0.867 694 Q CB -0.354 28.368 28.738 -0.027 0.000 0.911 694 Q HN 0.320 nan 8.270 nan 0.000 0.417 695 L N 0.931 122.098 121.223 -0.093 0.000 2.127 695 L HA -0.190 4.150 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 1.762 56.522 54.840 -0.132 0.000 0.757 695 L CB -0.420 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 -2.086 118.342 120.500 -0.120 0.000 2.075 696 R HA -0.028 4.313 4.340 0.001 0.000 0.226 696 R C 2.135 178.398 176.300 -0.062 0.000 1.114 696 R CA 1.495 57.532 56.100 -0.106 0.000 0.972 696 R CB -0.855 29.352 30.300 -0.155 0.000 0.869 696 R HN 0.327 nan 8.270 nan 0.000 0.437 697 C N 0.675 119.930 119.300 -0.075 0.000 2.539 697 C HA 0.104 4.564 4.460 0.001 0.000 0.268 697 C C 1.963 176.960 174.990 0.010 0.000 1.395 697 C CA 0.032 59.023 59.018 -0.045 0.000 1.757 697 C CB -1.446 26.286 27.740 -0.013 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.213 118.854 118.700 -0.099 0.000 2.173 698 N HA 0.103 4.844 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 1.293 54.206 53.050 -0.227 0.000 0.852 698 N CB 0.025 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 -0.733 107.856 108.800 -0.352 0.000 2.255 699 G HA2 -0.215 3.745 3.960 0.001 0.000 0.196 699 G HA3 -0.215 3.745 3.960 0.001 0.000 0.196 699 G C 0.853 175.601 174.900 -0.253 0.000 0.998 699 G CA 0.173 45.039 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 4.008 4.120 0.001 0.000 0.248 700 V C 2.697 178.797 176.094 0.010 0.000 1.053 700 V CA 2.318 64.534 62.300 -0.141 0.000 1.027 700 V CB -0.307 31.358 31.823 -0.264 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.669 120.515 121.223 -0.066 0.000 2.376 701 L HA -0.013 4.328 4.340 0.001 0.000 0.219 701 L C 2.259 179.115 176.870 -0.024 0.000 1.133 701 L CA 1.535 56.348 54.840 -0.046 0.000 0.816 701 L CB -0.792 41.227 42.059 -0.067 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.122 119.066 120.200 -0.020 0.000 2.318 702 E HA 0.008 4.358 4.350 0.001 0.000 0.193 702 E C 1.962 178.576 176.600 0.023 0.000 0.998 702 E CA 0.694 57.085 56.400 -0.014 0.000 0.859 702 E CB 0.239 29.907 29.700 -0.053 0.000 0.812 702 E HN 0.482 nan 8.360 nan 0.000 0.492 703 G N 0.731 109.597 108.800 0.111 0.000 2.464 703 G HA2 -0.150 3.811 3.960 0.001 0.000 0.217 703 G HA3 -0.150 3.811 3.960 0.001 0.000 0.217 703 G C 1.484 176.390 174.900 0.011 0.000 1.138 703 G CA 0.040 45.224 45.100 0.140 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.330 120.907 120.570 0.012 0.000 2.286 704 I HA 0.113 4.283 4.170 0.001 0.000 0.245 704 I C 2.695 178.775 176.117 -0.063 0.000 1.104 704 I CA 0.515 61.797 61.300 -0.029 0.000 1.397 704 I CB -0.331 37.653 38.000 -0.027 0.000 1.072 704 I HN -0.028 nan 8.210 nan 0.000 0.417 705 R N 0.439 120.905 120.500 -0.058 0.000 2.103 705 R HA -0.135 4.205 4.340 0.001 0.000 0.234 705 R C 2.263 178.498 176.300 -0.108 0.000 1.132 705 R CA 1.846 57.908 56.100 -0.064 0.000 0.925 705 R CB -0.614 29.660 30.300 -0.043 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.318 120.136 120.570 -0.193 0.000 2.423 706 I HA -0.383 3.787 4.170 0.001 0.000 0.254 706 I C 2.190 178.130 176.117 -0.295 0.000 1.151 706 I CA 0.831 61.887 61.300 -0.405 0.000 1.421 706 I CB -0.223 37.372 38.000 -0.675 0.000 1.079 706 I HN 0.371 nan 8.210 nan 0.000 0.431 707 C N 0.580 119.773 119.300 -0.178 0.000 2.500 707 C HA -0.109 4.351 4.460 0.001 0.000 0.279 707 C C 2.815 177.763 174.990 -0.071 0.000 1.288 707 C CA 0.679 59.632 59.018 -0.107 0.000 1.710 707 C CB -0.887 26.802 27.740 -0.085 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.905 121.354 120.500 -0.085 0.000 2.369 708 R HA -0.004 4.337 4.340 0.001 0.000 0.200 708 R C 0.255 176.506 176.300 -0.082 0.000 1.046 708 R CA 0.892 56.938 56.100 -0.091 0.000 1.057 708 R CB -0.378 29.863 30.300 -0.099 0.000 0.888 708 R HN 0.407 nan 8.270 nan 0.000 0.474 709 K N 1.116 121.488 120.400 -0.048 0.000 2.319 709 K HA 0.271 4.591 4.320 0.001 0.000 0.237 709 K C -0.348 176.265 176.600 0.021 0.000 1.113 709 K CA 0.114 56.418 56.287 0.027 0.000 1.072 709 K CB 1.334 33.905 32.500 0.118 0.000 1.734 709 K HN 0.488 nan 8.250 nan 0.000 0.429 710 G N 1.224 109.838 108.800 -0.311 0.000 2.181 710 G HA2 -0.107 3.853 3.960 0.001 0.000 0.098 710 G HA3 -0.107 3.853 3.960 0.001 0.000 0.098 710 G C -1.490 172.951 174.900 -0.766 0.000 1.237 710 G CA -0.938 43.791 45.100 -0.618 0.000 1.238 710 G HN 0.238 nan 8.290 nan 0.000 0.468 711 F N 3.163 123.017 119.950 -0.159 0.000 2.363 711 F HA 0.481 5.008 4.527 0.001 0.000 0.366 711 F C -1.312 174.503 175.800 0.024 0.000 1.083 711 F CA -1.500 56.484 58.000 -0.027 0.000 1.176 711 F CB 1.988 41.056 39.000 0.113 0.000 1.432 711 F HN 0.128 nan 8.300 nan 0.000 0.482 712 P HA -0.136 nan 4.420 nan 0.000 0.203 712 P C 0.112 177.383 177.300 -0.049 0.000 0.967 712 P CA 0.994 64.069 63.100 -0.042 0.000 0.946 712 P CB -0.262 31.368 31.700 -0.116 0.000 0.690 713 S N 1.270 116.924 115.700 -0.076 0.000 2.544 713 S HA 0.128 4.599 4.470 0.001 0.000 0.290 713 S C 0.341 174.889 174.600 -0.087 0.000 1.276 713 S CA -0.230 57.904 58.200 -0.109 0.000 1.075 713 S CB -0.523 62.586 63.200 -0.153 0.000 0.849 713 S HN 0.179 nan 8.310 nan 0.000 0.494 714 R N 1.348 121.718 120.500 -0.217 0.000 2.473 714 R HA 0.525 4.866 4.340 0.001 0.000 0.303 714 R C -1.672 174.476 176.300 -0.253 0.000 1.002 714 R CA -0.821 55.012 56.100 -0.446 0.000 0.884 714 R CB 0.787 30.490 30.300 -0.994 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.477 124.316 119.914 -0.126 0.000 2.465 715 V HA 0.220 4.341 4.120 0.001 0.000 0.279 715 V C 0.371 176.365 176.094 -0.166 0.000 1.045 715 V CA -0.838 61.466 62.300 0.008 0.000 0.938 715 V CB 1.503 33.497 31.823 0.286 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.440 125.638 121.223 -0.042 0.000 2.380 716 L HA 0.257 4.598 4.340 0.001 0.000 0.273 716 L C 0.864 177.786 176.870 0.087 0.000 1.138 716 L CA 0.234 55.050 54.840 -0.041 0.000 0.832 716 L CB 0.576 42.664 42.059 0.048 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.310 123.683 120.300 0.122 0.000 2.062 717 Y HA -0.378 4.172 4.550 0.001 0.000 0.276 717 Y C 2.228 178.242 175.900 0.191 0.000 1.189 717 Y CA 2.102 60.298 58.100 0.159 0.000 1.130 717 Y CB -0.863 37.659 38.460 0.102 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.166 122.822 122.820 0.279 0.000 1.898 718 A HA -0.190 4.130 4.320 0.001 0.000 0.216 718 A C 1.815 179.479 177.584 0.133 0.000 1.181 718 A CA 1.913 54.042 52.037 0.153 0.000 0.620 718 A CB -0.932 18.130 19.000 0.102 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.792 118.704 120.400 0.160 0.000 2.311 719 D HA -0.097 4.544 4.640 0.001 0.000 0.212 719 D C 1.296 177.708 176.300 0.186 0.000 0.972 719 D CA 0.990 55.072 54.000 0.136 0.000 0.887 719 D CB -0.157 40.731 40.800 0.148 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.466 120.494 119.950 0.130 0.000 2.446 720 F HA 0.190 4.718 4.527 0.001 0.000 0.292 720 F C 1.912 177.830 175.800 0.197 0.000 1.096 720 F CA 0.568 58.685 58.000 0.195 0.000 1.438 720 F CB 0.208 39.319 39.000 0.185 0.000 1.107 720 F HN -0.305 nan 8.300 nan 0.000 0.546 721 K N 0.405 120.898 120.400 0.155 0.000 1.963 721 K HA -0.268 4.052 4.320 0.001 0.000 0.216 721 K C 2.169 178.699 176.600 -0.118 0.000 1.045 721 K CA 1.893 58.177 56.287 -0.006 0.000 0.954 721 K CB -0.529 31.921 32.500 -0.084 0.000 0.732 721 K HN 0.297 nan 8.250 nan 0.000 0.442 722 Q N 0.705 120.436 119.800 -0.115 0.000 2.045 722 Q HA -0.310 4.031 4.340 0.001 0.000 0.215 722 Q C 2.057 177.941 176.000 -0.193 0.000 1.026 722 Q CA 2.297 58.025 55.803 -0.125 0.000 0.885 722 Q CB -0.226 28.457 28.738 -0.091 0.000 0.984 722 Q HN 0.177 nan 8.270 nan 0.000 0.414 723 R N -1.392 118.938 120.500 -0.284 0.000 2.152 723 R HA -0.126 4.214 4.340 0.001 0.000 0.232 723 R C 0.930 176.748 176.300 -0.802 0.000 1.117 723 R CA 1.603 57.363 56.100 -0.566 0.000 0.981 723 R CB 0.095 29.943 30.300 -0.753 0.000 0.870 723 R HN 0.526 nan 8.270 nan 0.000 0.451 724 Y N -1.799 118.260 120.300 -0.401 0.000 2.527 724 Y HA 0.233 4.784 4.550 0.001 0.000 0.247 724 Y C 1.820 177.579 175.900 -0.235 0.000 1.138 724 Y CA -0.510 57.356 58.100 -0.390 0.000 1.228 724 Y CB 0.123 38.184 38.460 -0.666 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.689 121.158 120.500 -0.052 0.000 2.134 725 R HA -0.210 4.130 4.340 0.001 0.000 0.248 725 R C 1.579 177.908 176.300 0.048 0.000 1.143 725 R CA 2.276 58.393 56.100 0.028 0.000 0.957 725 R CB -0.602 29.734 30.300 0.060 0.000 0.867 725 R HN 0.212 nan 8.270 nan 0.000 0.441 726 V N 1.370 121.289 119.914 0.009 0.000 2.764 726 V HA -0.255 3.866 4.120 0.001 0.000 0.261 726 V C 2.169 178.275 176.094 0.019 0.000 1.108 726 V CA 1.522 63.825 62.300 0.005 0.000 1.129 726 V CB -0.470 31.329 31.823 -0.041 0.000 0.701 726 V HN 0.333 nan 8.190 nan 0.000 0.495 727 L N -0.615 120.629 121.223 0.035 0.000 2.179 727 L HA 0.022 4.363 4.340 0.001 0.000 0.208 727 L C 1.634 178.538 176.870 0.056 0.000 1.096 727 L CA 1.478 56.347 54.840 0.049 0.000 0.779 727 L CB -0.118 41.982 42.059 0.068 0.000 0.922 727 L HN 0.371 nan 8.230 nan 0.000 0.443 728 N N -1.291 117.449 118.700 0.066 0.000 2.595 728 N HA 0.149 4.889 4.740 0.001 0.000 0.291 728 N C 1.102 176.657 175.510 0.076 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 0.084 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.746 123.607 122.820 0.067 0.000 1.836 729 A HA -0.418 3.903 4.320 0.001 0.000 0.269 729 A C 2.214 179.851 177.584 0.087 0.000 2.597 729 A CA 3.119 55.200 52.037 0.072 0.000 0.810 729 A CB -1.381 17.647 19.000 0.047 0.000 0.833 729 A HN 0.608 nan 8.150 nan 0.000 0.542 730 S N -0.409 115.331 115.700 0.065 0.000 2.348 730 S HA 0.096 4.566 4.470 0.001 0.000 0.221 730 S C 2.101 176.750 174.600 0.082 0.000 1.033 730 S CA 1.845 60.079 58.200 0.056 0.000 1.010 730 S CB -0.917 62.306 63.200 0.038 0.000 0.891 730 S HN 1.506 nan 8.310 nan 0.000 0.442 731 A N 0.868 123.740 122.820 0.088 0.000 2.072 731 A HA 0.387 4.708 4.320 0.001 0.000 0.216 731 A C 2.128 179.789 177.584 0.130 0.000 1.156 731 A CA 0.541 52.637 52.037 0.099 0.000 0.701 731 A CB -0.539 18.515 19.000 0.089 0.000 0.816 731 A HN 0.560 nan 8.150 nan 0.000 0.458 732 I N -0.018 120.637 120.570 0.140 0.000 2.585 732 I HA -0.039 4.131 4.170 0.001 0.000 0.254 732 I C -0.737 175.500 176.117 0.200 0.000 1.129 732 I CA 0.437 61.832 61.300 0.159 0.000 1.455 732 I CB -0.744 37.338 38.000 0.136 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 1.283 179.069 177.300 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 31.965 31.700 0.499 0.000 0.787 734 E N -0.285 120.141 120.200 0.376 0.000 2.085 734 E HA -0.132 4.218 4.350 0.001 0.000 0.194 734 E C 2.356 179.115 176.600 0.265 0.000 0.994 734 E CA 1.408 57.969 56.400 0.269 0.000 0.801 734 E CB -0.957 28.819 29.700 0.126 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 0.200 0.000 2.421 735 G HA2 -0.304 3.657 3.960 0.001 0.000 0.216 735 G HA3 -0.304 3.657 3.960 0.001 0.000 0.216 735 G C 1.437 176.394 174.900 0.095 0.000 1.171 735 G CA 0.648 45.825 45.100 0.129 0.000 0.775 735 G HN 0.197 nan 8.290 nan 0.000 0.543 736 Q N -0.638 119.200 119.800 0.064 0.000 2.119 736 Q HA -0.008 4.332 4.340 0.001 0.000 0.201 736 Q C 2.311 178.192 176.000 -0.198 0.000 0.972 736 Q CA 1.047 56.782 55.803 -0.114 0.000 0.847 736 Q CB -0.190 28.362 28.738 -0.310 0.000 0.903 736 Q HN 0.598 nan 8.270 nan 0.000 0.433 737 F N -0.306 119.670 119.950 0.044 0.000 2.234 737 F HA -0.075 4.452 4.527 0.001 0.000 0.296 737 F C 2.188 178.000 175.800 0.019 0.000 1.089 737 F CA 0.594 58.612 58.000 0.031 0.000 1.343 737 F CB -0.126 38.889 39.000 0.026 0.000 1.040 737 F HN 0.042 nan 8.300 nan 0.000 0.498 738 M N -0.727 119.000 119.600 0.211 0.000 2.254 738 M HA -0.003 4.477 4.480 0.001 0.000 0.265 738 M C -0.278 176.053 176.300 0.051 0.000 1.066 738 M CA 1.216 56.584 55.300 0.113 0.000 1.123 738 M CB -0.872 31.786 32.600 0.097 0.000 1.388 738 M HN 0.014 nan 8.290 nan 0.000 0.425 739 D N -0.841 119.574 120.400 0.025 0.000 2.613 739 D HA 0.170 4.811 4.640 0.001 0.000 0.230 739 D C 0.500 176.763 176.300 -0.062 0.000 1.365 739 D CA -0.005 53.981 54.000 -0.024 0.000 0.976 739 D CB 1.147 41.913 40.800 -0.056 0.000 1.415 739 D HN -0.083 nan 8.370 nan 0.000 0.589 740 S N 3.625 119.294 115.700 -0.053 0.000 2.409 740 S HA -0.298 4.173 4.470 0.001 0.000 0.237 740 S C 1.519 176.036 174.600 -0.139 0.000 1.060 740 S CA 2.451 60.618 58.200 -0.056 0.000 1.052 740 S CB 0.042 63.236 63.200 -0.010 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.253 120.480 120.400 -0.288 0.000 2.161 741 K HA 0.179 4.499 4.320 0.001 0.000 0.205 741 K C 2.241 178.528 176.600 -0.521 0.000 1.035 741 K CA 0.589 56.413 56.287 -0.771 0.000 0.970 741 K CB -0.550 31.541 32.500 -0.681 0.000 0.866 741 K HN 0.167 nan 8.250 nan 0.000 0.461 742 K N 0.568 120.800 120.400 -0.280 0.000 2.228 742 K HA -0.211 4.110 4.320 0.001 0.000 0.205 742 K C 1.825 178.377 176.600 -0.081 0.000 1.045 742 K CA 1.333 57.521 56.287 -0.164 0.000 0.931 742 K CB -0.256 32.184 32.500 -0.101 0.000 0.727 742 K HN 0.359 nan 8.250 nan 0.000 0.458 743 A N 0.758 123.544 122.820 -0.057 0.000 1.834 743 A HA -0.185 4.136 4.320 0.001 0.000 0.216 743 A C 2.130 179.788 177.584 0.125 0.000 1.203 743 A CA 2.279 54.340 52.037 0.039 0.000 0.621 743 A CB -1.021 17.993 19.000 0.023 0.000 0.841 743 A HN 0.417 nan 8.150 nan 0.000 0.446 744 S N 0.015 115.829 115.700 0.190 0.000 2.407 744 S HA -0.233 4.238 4.470 0.001 0.000 0.235 744 S C 1.833 176.645 174.600 0.353 0.000 1.036 744 S CA 1.480 59.919 58.200 0.399 0.000 1.013 744 S CB -0.432 63.097 63.200 0.548 0.000 0.820 744 S HN 0.582 nan 8.310 nan 0.000 0.476 745 E N 1.243 121.583 120.200 0.233 0.000 2.001 745 E HA -0.166 4.184 4.350 0.001 0.000 0.195 745 E C 2.179 178.882 176.600 0.173 0.000 1.002 745 E CA 1.204 57.706 56.400 0.171 0.000 0.819 745 E CB -0.257 29.355 29.700 -0.146 0.000 0.769 745 E HN 0.282 nan 8.360 nan 0.000 0.454 746 K N 0.961 121.419 120.400 0.097 0.000 2.089 746 K HA -0.172 4.149 4.320 0.001 0.000 0.210 746 K C 2.271 178.968 176.600 0.161 0.000 1.048 746 K CA 1.015 57.366 56.287 0.107 0.000 0.926 746 K CB -0.593 31.955 32.500 0.080 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.109 121.451 121.223 0.199 0.000 1.990 747 L HA -0.215 4.125 4.340 0.001 0.000 0.213 747 L C 1.758 178.750 176.870 0.203 0.000 1.072 747 L CA 1.393 56.360 54.840 0.212 0.000 0.755 747 L CB -0.236 41.982 42.059 0.266 0.000 0.889 747 L HN 0.182 nan 8.230 nan 0.000 0.432 748 L N 0.061 121.418 121.223 0.224 0.000 2.651 748 L HA -0.151 4.190 4.340 0.001 0.000 0.236 748 L C 2.365 179.368 176.870 0.221 0.000 1.173 748 L CA 1.055 55.973 54.840 0.129 0.000 0.843 748 L CB -1.168 40.866 42.059 -0.042 0.000 0.964 748 L HN 0.365 nan 8.230 nan 0.000 0.454 749 G N -0.388 108.565 108.800 0.254 0.000 2.513 749 G HA2 -0.176 3.785 3.960 0.001 0.000 0.219 749 G HA3 -0.176 3.785 3.960 0.001 0.000 0.219 749 G C 0.969 176.047 174.900 0.296 0.000 1.160 749 G CA 0.722 45.984 45.100 0.270 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.670 107.256 108.800 0.210 0.000 2.547 750 G HA2 0.620 4.580 3.960 0.001 0.000 0.291 750 G HA3 0.620 4.580 3.960 0.001 0.000 0.291 750 G C 0.180 175.187 174.900 0.178 0.000 1.211 750 G CA 0.206 45.416 45.100 0.183 0.000 0.950 750 G HN 1.475 nan 8.290 nan 0.000 0.504 751 G N -0.676 108.218 108.800 0.156 0.000 2.770 751 G HA2 0.164 4.124 3.960 0.001 0.000 0.686 751 G HA3 0.164 4.124 3.960 0.001 0.000 0.686 751 G C -0.251 174.759 174.900 0.183 0.000 1.180 751 G CA 0.213 45.391 45.100 0.130 0.000 0.767 751 G HN 1.139 nan 8.290 nan 0.000 0.646 752 D N -0.083 120.399 120.400 0.137 0.000 2.870 752 D HA 0.338 4.979 4.640 0.001 0.000 0.241 752 D C 1.085 177.479 176.300 0.157 0.000 1.234 752 D CA 0.304 54.392 54.000 0.147 0.000 0.844 752 D CB -0.039 40.821 40.800 0.101 0.000 1.051 752 D HN 0.751 nan 8.370 nan 0.000 0.469 753 V N -1.799 118.226 119.914 0.184 0.000 2.644 753 V HA 0.291 4.411 4.120 0.001 0.000 0.295 753 V C 0.737 176.989 176.094 0.263 0.000 1.053 753 V CA -1.125 61.263 62.300 0.147 0.000 0.987 753 V CB 1.457 33.290 31.823 0.017 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.652 122.189 120.400 0.230 0.000 2.349 754 D HA 0.057 4.697 4.640 0.001 0.000 0.266 754 D C 0.470 176.976 176.300 0.342 0.000 1.293 754 D CA 0.221 54.376 54.000 0.258 0.000 0.926 754 D CB 0.470 41.370 40.800 0.167 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.078 120.262 119.070 0.190 0.000 2.562 755 H HA 0.011 4.567 4.556 0.001 0.000 0.274 755 H C 1.478 176.534 175.328 -0.454 0.000 1.038 755 H CA 0.412 56.492 56.048 0.052 0.000 1.161 755 H CB 0.333 30.188 29.762 0.154 0.000 1.318 755 H HN 0.259 nan 8.280 nan 0.000 0.617 756 T N -0.219 114.251 114.554 -0.139 0.000 2.914 756 T HA -0.093 4.258 4.350 0.001 0.000 0.240 756 T C 1.791 176.410 174.700 -0.136 0.000 1.025 756 T CA 0.249 62.266 62.100 -0.139 0.000 1.198 756 T CB 0.032 68.900 68.868 -0.000 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.213 121.046 119.800 0.055 0.000 2.480 757 Q HA -0.145 4.196 4.340 0.001 0.000 0.217 757 Q C 0.264 176.453 176.000 0.314 0.000 0.993 757 Q CA 1.294 57.227 55.803 0.217 0.000 0.908 757 Q CB -0.871 28.011 28.738 0.241 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.466 117.784 120.300 -0.083 0.000 2.686 758 Y HA 0.805 5.356 4.550 0.001 0.000 0.330 758 Y C -0.557 174.963 175.900 -0.633 0.000 1.082 758 Y CA -2.004 55.809 58.100 -0.478 0.000 1.158 758 Y CB 1.043 38.935 38.460 -0.947 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.760 123.147 122.820 -0.722 0.000 2.565 759 A HA 0.644 4.965 4.320 0.001 0.000 0.298 759 A C -2.088 175.215 177.584 -0.468 0.000 1.062 759 A CA -0.792 50.886 52.037 -0.599 0.000 0.723 759 A CB 0.140 18.705 19.000 -0.724 0.000 1.282 759 A HN 0.561 nan 8.150 nan 0.000 0.400 760 F N 0.980 120.834 119.950 -0.160 0.000 2.450 760 F HA 0.890 5.417 4.527 0.001 0.000 0.328 760 F C 1.094 176.889 175.800 -0.008 0.000 1.068 760 F CA -0.040 57.944 58.000 -0.027 0.000 1.007 760 F CB 2.075 41.126 39.000 0.086 0.000 1.251 760 F HN 0.971 nan 8.300 nan 0.000 0.492 761 G N -1.581 107.415 108.800 0.325 0.000 2.601 761 G HA2 0.284 4.244 3.960 0.001 0.000 0.291 761 G HA3 0.284 4.244 3.960 0.001 0.000 0.291 761 G C -0.345 174.746 174.900 0.320 0.000 1.456 761 G CA -0.687 44.523 45.100 0.183 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.783 118.389 119.070 0.171 0.000 2.456 762 H HA -0.161 4.395 4.556 0.001 0.000 0.288 762 H C 1.172 176.636 175.328 0.228 0.000 1.130 762 H CA 1.558 57.704 56.048 0.164 0.000 1.173 762 H CB -0.238 29.575 29.762 0.085 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.693 122.226 119.950 -0.695 0.000 2.480 766 F HA 0.905 5.433 4.527 0.001 0.000 0.329 766 F C -0.274 175.213 175.800 -0.522 0.000 1.091 766 F CA -0.586 57.133 58.000 -0.467 0.000 0.972 766 F CB 1.708 40.435 39.000 -0.455 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N -0.932 107.769 108.800 -0.165 0.000 4.818 770 G HA2 0.469 4.429 3.960 0.001 0.000 0.253 770 G HA3 0.469 4.429 3.960 0.001 0.000 0.253 770 G C 0.556 175.374 174.900 -0.136 0.000 0.986 770 G CA 0.863 45.869 45.100 -0.156 0.000 0.785 770 G HN 0.720 nan 8.290 nan 0.000 0.325 771 L N -0.126 121.002 121.223 -0.159 0.000 2.185 771 L HA 0.444 4.784 4.340 0.001 0.000 0.198 771 L C 2.424 179.168 176.870 -0.210 0.000 1.079 771 L CA 0.919 55.677 54.840 -0.136 0.000 0.780 771 L CB -0.225 41.780 42.059 -0.091 0.000 0.955 771 L HN 0.116 nan 8.230 nan 0.000 0.462 772 L N 0.361 121.366 121.223 -0.364 0.000 2.129 772 L HA -0.151 4.189 4.340 0.001 0.000 0.212 772 L C 2.383 178.968 176.870 -0.475 0.000 1.087 772 L CA 2.009 56.479 54.840 -0.617 0.000 0.757 772 L CB -1.558 39.813 42.059 -1.146 0.000 0.896 772 L HN 0.423 nan 8.230 nan 0.000 0.434 773 G N -1.346 107.255 108.800 -0.331 0.000 2.418 773 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 773 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 773 G C 1.681 176.521 174.900 -0.100 0.000 1.158 773 G CA 0.767 45.769 45.100 -0.163 0.000 0.771 773 G HN 0.317 nan 8.290 nan 0.000 0.545 774 L N -0.266 120.893 121.223 -0.107 0.000 2.027 774 L HA 0.043 4.384 4.340 0.001 0.000 0.206 774 L C 2.724 179.561 176.870 -0.054 0.000 1.074 774 L CA 0.886 55.690 54.840 -0.060 0.000 0.745 774 L CB -0.424 41.605 42.059 -0.050 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.540 120.631 121.223 -0.088 0.000 1.951 775 L HA -0.297 4.043 4.340 0.001 0.000 0.222 775 L C 2.603 179.448 176.870 -0.041 0.000 1.078 775 L CA 1.772 56.571 54.840 -0.068 0.000 0.778 775 L CB -1.299 40.702 42.059 -0.097 0.000 0.893 775 L HN 0.289 nan 8.230 nan 0.000 0.436 776 E N -0.378 119.792 120.200 -0.050 0.000 2.136 776 E HA -0.324 4.026 4.350 0.001 0.000 0.208 776 E C 2.107 178.716 176.600 0.016 0.000 1.035 776 E CA 1.745 58.144 56.400 -0.002 0.000 0.838 776 E CB -0.320 29.399 29.700 0.032 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.169 120.379 120.200 0.017 0.000 2.049 777 E HA -0.223 4.128 4.350 0.001 0.000 0.198 777 E C 2.229 178.844 176.600 0.026 0.000 1.007 777 E CA 1.604 58.024 56.400 0.033 0.000 0.809 777 E CB -0.165 29.552 29.700 0.029 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.246 119.854 119.600 0.013 0.000 2.108 778 M HA -0.190 4.290 4.480 0.001 0.000 0.261 778 M C 2.714 179.022 176.300 0.014 0.000 1.066 778 M CA 1.774 57.081 55.300 0.012 0.000 1.107 778 M CB -0.384 32.219 32.600 0.006 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.640 121.147 120.500 0.011 0.000 2.083 779 R HA -0.193 4.147 4.340 0.001 0.000 0.237 779 R C 1.549 177.858 176.300 0.015 0.000 1.137 779 R CA 2.128 58.234 56.100 0.009 0.000 0.951 779 R CB -0.360 29.942 30.300 0.003 0.000 0.851 779 R HN 0.281 nan 8.270 nan 0.000 0.434 780 D N 0.867 121.283 120.400 0.027 0.000 2.126 780 D HA -0.138 4.503 4.640 0.001 0.000 0.190 780 D C 0.272 176.594 176.300 0.036 0.000 1.001 780 D CA 1.290 55.317 54.000 0.044 0.000 0.841 780 D CB -0.576 40.272 40.800 0.080 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.196 123.017 122.820 0.002 0.000 1.892 784 A HA -0.217 4.104 4.320 0.001 0.000 0.218 784 A C 1.988 179.572 177.584 0.001 0.000 1.188 784 A CA 2.358 54.396 52.037 0.002 0.000 0.631 784 A CB -0.322 18.684 19.000 0.011 0.000 0.822 784 A HN 0.400 nan 8.150 nan 0.000 0.447 785 E N -0.038 120.164 120.200 0.003 0.000 1.983 785 E HA -0.186 4.165 4.350 0.001 0.000 0.208 785 E C 1.794 178.392 176.600 -0.002 0.000 1.006 785 E CA 1.490 57.891 56.400 0.002 0.000 0.872 785 E CB -0.535 29.167 29.700 0.003 0.000 0.806 785 E HN 0.515 nan 8.360 nan 0.000 0.510 786 I N 0.402 120.969 120.570 -0.004 0.000 2.182 786 I HA -0.368 3.802 4.170 0.001 0.000 0.248 786 I C 2.387 178.498 176.117 -0.011 0.000 1.073 786 I CA 1.332 62.627 61.300 -0.008 0.000 1.335 786 I CB -0.339 37.656 38.000 -0.010 0.000 1.031 786 I HN 0.247 nan 8.210 nan 0.000 0.420 787 I N -0.196 120.367 120.570 -0.011 0.000 2.188 787 I HA -0.250 3.920 4.170 0.001 0.000 0.237 787 I C 2.514 178.625 176.117 -0.011 0.000 1.073 787 I CA 1.539 62.830 61.300 -0.015 0.000 1.359 787 I CB -0.465 37.523 38.000 -0.020 0.000 1.083 787 I HN 0.190 nan 8.210 nan 0.000 0.412 788 T N 1.201 115.751 114.554 -0.007 0.000 2.684 788 T HA -0.312 4.038 4.350 0.001 0.000 0.267 788 T C 1.818 176.518 174.700 -0.001 0.000 1.032 788 T CA 1.887 63.986 62.100 -0.003 0.000 1.155 788 T CB -0.414 68.455 68.868 0.001 0.000 0.857 788 T HN 0.531 nan 8.240 nan 0.000 0.457 789 A N 0.556 123.374 122.820 -0.003 0.000 1.929 789 A HA -0.051 4.269 4.320 0.001 0.000 0.216 789 A C 2.527 180.107 177.584 -0.006 0.000 1.176 789 A CA 1.808 53.843 52.037 -0.003 0.000 0.628 789 A CB -0.842 18.156 19.000 -0.004 0.000 0.816 789 A HN 0.473 nan 8.150 nan 0.000 0.444 790 T N -0.093 114.454 114.554 -0.012 0.000 3.055 790 T HA -0.057 4.294 4.350 0.001 0.000 0.265 790 T C 1.947 176.638 174.700 -0.015 0.000 1.111 790 T CA 1.166 63.255 62.100 -0.019 0.000 1.118 790 T CB -0.091 68.762 68.868 -0.026 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.937 120.733 119.800 -0.007 0.000 1.969 791 Q HA 0.006 4.346 4.340 0.001 0.000 0.198 791 Q C 2.837 178.845 176.000 0.013 0.000 0.978 791 Q CA 1.256 57.059 55.803 0.001 0.000 0.830 791 Q CB -0.438 28.301 28.738 0.002 0.000 0.896 791 Q HN 0.497 nan 8.270 nan 0.000 0.431 792 A N 1.936 124.764 122.820 0.013 0.000 1.887 792 A HA -0.390 3.930 4.320 0.001 0.000 0.225 792 A C 2.051 179.657 177.584 0.036 0.000 1.464 792 A CA 2.693 54.743 52.037 0.021 0.000 0.717 792 A CB -0.976 18.032 19.000 0.015 0.000 0.848 792 A HN 0.318 nan 8.150 nan 0.000 0.477 793 R N -0.142 120.375 120.500 0.028 0.000 2.112 793 R HA -0.196 4.145 4.340 0.001 0.000 0.242 793 R C 2.077 178.430 176.300 0.089 0.000 1.137 793 R CA 2.570 58.696 56.100 0.043 0.000 0.944 793 R CB -1.758 28.545 30.300 0.005 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.344 119.672 119.300 0.047 0.000 2.359 794 C HA -0.129 4.331 4.460 0.001 0.000 0.277 794 C C 2.626 177.723 174.990 0.179 0.000 1.192 794 C CA 1.364 60.432 59.018 0.083 0.000 1.759 794 C CB -1.113 26.642 27.740 0.025 0.000 2.038 794 C HN 0.546 nan 8.230 nan 0.000 0.448 795 R N 0.601 121.162 120.500 0.102 0.000 2.115 795 R HA -0.151 4.190 4.340 0.001 0.000 0.239 795 R C 2.423 178.778 176.300 0.092 0.000 1.133 795 R CA 2.102 58.252 56.100 0.083 0.000 0.935 795 R CB -1.304 29.026 30.300 0.049 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.130 109.985 108.800 0.091 0.000 2.679 796 G HA2 -0.355 3.606 3.960 0.001 0.000 0.217 796 G HA3 -0.355 3.606 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 1.019 46.165 45.100 0.077 0.000 0.799 796 G HN 0.389 nan 8.290 nan 0.000 0.606 797 F N 0.710 120.656 119.950 -0.006 0.000 2.176 797 F HA -0.167 4.361 4.527 0.001 0.000 0.301 797 F C 2.307 178.108 175.800 0.003 0.000 1.071 797 F CA 1.517 59.515 58.000 -0.003 0.000 1.289 797 F CB -0.216 38.782 39.000 -0.003 0.000 1.028 797 F HN 0.089 nan 8.300 nan 0.000 0.494 798 L N -0.066 121.239 121.223 0.136 0.000 2.046 798 L HA -0.221 4.119 4.340 0.001 0.000 0.208 798 L C 2.470 179.263 176.870 -0.128 0.000 1.077 798 L CA 1.856 56.695 54.840 -0.003 0.000 0.747 798 L CB -0.771 41.357 42.059 0.114 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.885 117.675 119.600 -0.067 0.000 2.349 799 M HA -0.148 4.333 4.480 0.001 0.000 0.266 799 M C 2.240 178.487 176.300 -0.088 0.000 1.076 799 M CA 0.891 56.157 55.300 -0.056 0.000 1.126 799 M CB -0.170 32.422 32.600 -0.014 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.355 120.051 120.500 -0.156 0.000 2.200 800 R HA -0.107 4.233 4.340 0.001 0.000 0.234 800 R C 1.678 177.867 176.300 -0.186 0.000 1.127 800 R CA 0.933 56.933 56.100 -0.167 0.000 0.989 800 R CB -0.012 30.180 30.300 -0.180 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.241 119.500 119.914 -0.287 0.000 3.174 801 V HA -0.045 4.075 4.120 0.001 0.000 0.254 801 V C 1.855 177.886 176.094 -0.104 0.000 1.120 801 V CA 0.879 63.037 62.300 -0.237 0.000 1.114 801 V CB 0.101 31.723 31.823 -0.335 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.096 120.060 120.200 -0.074 0.000 2.072 802 E HA -0.170 4.180 4.350 0.001 0.000 0.190 802 E C 1.964 178.574 176.600 0.017 0.000 0.982 802 E CA 1.158 57.541 56.400 -0.029 0.000 0.803 802 E CB -0.311 29.377 29.700 -0.021 0.000 0.755 802 E HN 0.689 nan 8.360 nan 0.000 0.453 803 Y N 1.272 121.521 120.300 -0.085 0.000 2.165 803 Y HA -0.207 4.344 4.550 0.001 0.000 0.286 803 Y C 2.444 178.305 175.900 -0.065 0.000 1.155 803 Y CA 2.026 60.085 58.100 -0.068 0.000 1.164 803 Y CB -0.034 38.391 38.460 -0.059 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.318 120.243 120.500 0.102 0.000 2.200 804 R HA -0.143 4.197 4.340 0.001 0.000 0.234 804 R C 2.123 178.400 176.300 -0.039 0.000 1.127 804 R CA 1.040 57.158 56.100 0.029 0.000 0.989 804 R CB -0.290 30.015 30.300 0.008 0.000 0.869 804 R HN 0.478 nan 8.270 nan 0.000 0.459 805 A N -0.178 122.608 122.820 -0.057 0.000 1.887 805 A HA -0.010 4.311 4.320 0.001 0.000 0.210 805 A C 2.000 179.518 177.584 -0.110 0.000 1.221 805 A CA 0.521 52.515 52.037 -0.071 0.000 0.635 805 A CB -0.253 18.711 19.000 -0.059 0.000 0.881 805 A HN 0.177 nan 8.150 nan 0.000 0.456 806 M N -0.296 119.220 119.600 -0.140 0.000 2.088 806 M HA -0.214 4.266 4.480 0.001 0.000 0.256 806 M C 2.113 178.272 176.300 -0.235 0.000 1.071 806 M CA 1.901 57.085 55.300 -0.194 0.000 1.097 806 M CB -0.735 31.715 32.600 -0.249 0.000 1.315 806 M HN 0.233 nan 8.290 nan 0.000 0.406 807 V N 0.210 119.948 119.914 -0.294 0.000 2.287 807 V HA -0.280 3.841 4.120 0.001 0.000 0.248 807 V C 2.147 178.152 176.094 -0.149 0.000 1.053 807 V CA 2.100 64.240 62.300 -0.265 0.000 1.027 807 V CB -0.693 30.942 31.823 -0.313 0.000 0.646 807 V HN 0.471 nan 8.190 nan 0.000 0.447 808 E N -0.287 119.847 120.200 -0.110 0.000 2.033 808 E HA -0.280 4.071 4.350 0.001 0.000 0.199 808 E C 2.459 179.009 176.600 -0.082 0.000 1.011 808 E CA 1.691 58.048 56.400 -0.072 0.000 0.815 808 E CB -0.233 29.434 29.700 -0.055 0.000 0.755 808 E HN 0.458 nan 8.360 nan 0.000 0.451 809 R N 0.409 120.846 120.500 -0.105 0.000 2.154 809 R HA -0.194 4.147 4.340 0.001 0.000 0.248 809 R C 2.368 178.566 176.300 -0.169 0.000 1.155 809 R CA 0.994 57.020 56.100 -0.123 0.000 0.979 809 R CB -0.280 29.936 30.300 -0.141 0.000 0.869 809 R HN 0.129 nan 8.270 nan 0.000 0.452 810 R N 1.158 121.543 120.500 -0.191 0.000 2.227 810 R HA -0.283 4.057 4.340 0.001 0.000 0.246 810 R C 2.104 178.207 176.300 -0.327 0.000 1.119 810 R CA 2.599 58.542 56.100 -0.261 0.000 0.930 810 R CB -0.354 29.854 30.300 -0.153 0.000 0.912 810 R HN 0.579 nan 8.270 nan 0.000 0.435 811 E N -1.263 118.882 120.200 -0.092 0.000 2.086 811 E HA -0.019 4.332 4.350 0.001 0.000 0.190 811 E C 1.892 178.507 176.600 0.025 0.000 0.975 811 E CA 0.916 57.359 56.400 0.073 0.000 0.813 811 E CB -0.336 29.465 29.700 0.167 0.000 0.768 811 E HN 0.092 nan 8.360 nan 0.000 0.457 812 S N 1.030 116.714 115.700 -0.027 0.000 2.440 812 S HA -0.126 4.344 4.470 0.001 0.000 0.240 812 S C 1.888 176.459 174.600 -0.049 0.000 1.014 812 S CA 1.097 59.284 58.200 -0.022 0.000 0.980 812 S CB -0.331 62.851 63.200 -0.031 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.004 120.484 120.570 -0.137 0.000 2.110 813 I HA -0.148 4.023 4.170 0.001 0.000 0.236 813 I C 1.905 177.951 176.117 -0.118 0.000 1.068 813 I CA 1.117 62.309 61.300 -0.179 0.000 1.333 813 I CB -0.578 37.231 38.000 -0.319 0.000 1.054 813 I HN 0.205 nan 8.210 nan 0.000 0.402 814 F N 1.147 121.003 119.950 -0.157 0.000 2.063 814 F HA -0.387 4.140 4.527 0.001 0.000 0.297 814 F C 2.970 178.667 175.800 -0.172 0.000 1.099 814 F CA 1.703 59.540 58.000 -0.273 0.000 1.220 814 F CB -1.493 37.418 39.000 -0.147 0.000 0.972 814 F HN 0.301 nan 8.300 nan 0.000 0.487 815 C N 0.886 120.302 119.300 0.193 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 0.103 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.085 120.679 120.570 0.040 0.000 2.202 816 I HA -0.206 3.965 4.170 0.001 0.000 0.242 816 I C 2.715 178.842 176.117 0.017 0.000 1.091 816 I CA 1.711 63.021 61.300 0.017 0.000 1.368 816 I CB -1.341 36.649 38.000 -0.017 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.399 120.179 119.800 -0.034 0.000 1.935 817 Q HA -0.261 4.080 4.340 0.001 0.000 0.212 817 Q C 2.354 178.360 176.000 0.009 0.000 1.008 817 Q CA 2.404 58.159 55.803 -0.081 0.000 0.868 817 Q CB -0.367 28.240 28.738 -0.218 0.000 0.946 817 Q HN 0.371 nan 8.270 nan 0.000 0.418 818 Y N 0.944 121.308 120.300 0.105 0.000 2.081 818 Y HA -0.287 4.263 4.550 0.001 0.000 0.280 818 Y C 2.154 178.095 175.900 0.069 0.000 1.163 818 Y CA 1.101 59.243 58.100 0.070 0.000 1.135 818 Y CB -0.915 37.572 38.460 0.045 0.000 0.970 818 Y HN 0.272 nan 8.280 nan 0.000 0.498 819 N N 0.110 118.951 118.700 0.235 0.000 2.133 819 N HA -0.196 4.544 4.740 0.001 0.000 0.193 819 N C 1.901 177.504 175.510 0.156 0.000 1.012 819 N CA 1.763 54.911 53.050 0.163 0.000 0.871 819 N CB -0.336 38.220 38.487 0.116 0.000 1.011 819 N HN 0.208 nan 8.380 nan 0.000 0.435 820 V N 1.270 121.267 119.914 0.139 0.000 2.283 820 V HA -0.141 3.979 4.120 0.001 0.000 0.243 820 V C 2.421 178.648 176.094 0.223 0.000 1.039 820 V CA 1.234 63.626 62.300 0.152 0.000 1.016 820 V CB -0.356 31.528 31.823 0.102 0.000 0.650 820 V HN 0.269 nan 8.190 nan 0.000 0.449 821 R N -0.154 120.453 120.500 0.178 0.000 2.134 821 R HA -0.228 4.113 4.340 0.001 0.000 0.248 821 R C 2.593 178.981 176.300 0.146 0.000 1.143 821 R CA 1.957 58.151 56.100 0.157 0.000 0.957 821 R CB -0.707 29.690 30.300 0.161 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.472 116.268 115.700 0.160 0.000 2.427 822 S HA -0.249 4.222 4.470 0.001 0.000 0.231 822 S C 1.544 176.238 174.600 0.155 0.000 1.045 822 S CA 1.830 60.109 58.200 0.131 0.000 1.154 822 S CB -0.543 62.756 63.200 0.165 0.000 1.093 822 S HN 0.382 nan 8.310 nan 0.000 0.422 823 F N 2.036 122.036 119.950 0.084 0.000 2.085 823 F HA -0.240 4.288 4.527 0.001 0.000 0.299 823 F C 2.224 178.070 175.800 0.077 0.000 1.096 823 F CA 1.859 59.922 58.000 0.106 0.000 1.227 823 F CB -0.353 38.708 39.000 0.102 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.161 119.430 119.600 -0.016 0.000 2.346 824 M HA -0.213 4.267 4.480 0.001 0.000 0.263 824 M C 1.460 177.676 176.300 -0.141 0.000 1.064 824 M CA 1.519 56.740 55.300 -0.133 0.000 1.083 824 M CB -1.103 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 -0.469 118.182 118.700 -0.082 0.000 2.368 825 N HA 0.045 4.785 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 0.245 53.265 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 -0.006 nan 8.380 nan 0.000 0.433 829 W N 5.989 127.348 121.300 0.098 0.000 2.388 829 W HA 0.297 4.958 4.660 0.001 0.000 0.308 829 W C -1.528 175.026 176.519 0.059 0.000 1.263 829 W CA -2.304 55.091 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 1.183 178.140 177.300 -0.572 0.000 1.160 830 P CA 2.701 65.550 63.100 -0.418 0.000 0.933 830 P CB -0.236 31.116 31.700 -0.581 0.000 0.793 831 W N -1.363 119.416 121.300 -0.869 0.000 2.342 831 W HA -0.057 4.604 4.660 0.001 0.000 0.297 831 W C 1.910 178.096 176.519 -0.555 0.000 1.213 831 W CA 0.088 56.905 57.345 -0.881 0.000 1.251 831 W CB -0.936 27.515 29.460 -1.681 0.000 1.136 831 W HN -0.004 nan 8.180 nan 0.000 0.526 835 F N 1.617 121.515 119.950 -0.088 0.000 2.147 835 F HA -0.104 4.424 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 1.091 59.063 58.000 -0.046 0.000 1.268 835 F CB -0.148 38.742 39.000 -0.183 0.000 1.009 835 F HN -0.053 nan 8.300 nan 0.000 0.486 841 L N 0.122 121.331 121.223 -0.023 0.000 2.450 841 L HA -0.078 4.263 4.340 0.001 0.000 0.225 841 L C 0.928 177.795 176.870 -0.005 0.000 1.145 841 L CA 1.258 56.092 54.840 -0.010 0.000 0.801 841 L CB -0.950 41.107 42.059 -0.003 0.000 0.924 841 L HN 0.125 nan 8.230 nan 0.000 0.447 842 L N -0.838 120.378 121.223 -0.011 0.000 2.479 842 L HA 0.286 4.626 4.340 0.001 0.000 0.248 842 L C 0.563 177.433 176.870 0.001 0.000 1.205 842 L CA 0.081 54.922 54.840 0.001 0.000 0.817 842 L CB 0.318 42.377 42.059 -0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.406 120.400 0.011 0.000 2.780 843 K HA 0.000 4.320 4.320 0.001 0.000 0.191 843 K CA 0.000 56.293 56.287 0.010 0.000 0.838 843 K CB 0.000 32.506 32.500 0.009 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543