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 1o1d_1_M DATA FIRST_RESID 4 DATA SEQUENCE DAEMAAFGEA APYLRXSEKE RIEAQNXPFD AXSSVFVVHP KQSFVXGTIQ DATA SEQUENCE SXEGGXVTVX TEGGETLTVK EDQVFSMNPP XYDXIEDMAM MTHLHEPAVL DATA SEQUENCE YNLXERYAAW MIYTYSGLFC VTVNPYXWLP VYNPXVVLAY RGKKRQEAPP DATA SEQUENCE HIFSISDNAY QFMLTDRENQ SILITGESGA GKTVNTXRVI QYFATIAASG DATA SEQUENCE EKKKEEQSGK MQGTLEDQII SANPLLEAFG NAXTVRNDNS SRFGXFIRIH DATA SEQUENCE FGATGKLASA DIETYLLEXS RVTFQLPAER SYHIFYQIMS NXXPELIDML DATA SEQUENCE LITTNPYDYH YVSEGEITVP SIDDQEELMA TDSAIDILGF SADEXTAIYX DATA SEQUENCE LTGAVMHYGN LKFXQXQREE QAEPDGTEVA DXAAYLMGLN SAELLKALCY DATA SEQUENCE PRVGVGNEAV TXGETVSEVH NSVGALAXAV YEXMFLWMVI RINQQLDTKQ DATA SEQUENCE PRQYFIGVLD IAGFEIFDFN SFEQLCINFT NEXLQQFFNH HMFVLEQEEY DATA SEQUENCE XXEGIEWEFI DFGMDLAACI ELIEXPMGIF SILEEECMFP KATDTSFXNX DATA SEQUENCE LYDEHLGKSN NFQKPKPAKG KAEAHFSLVH YAGTVDYNIS GWLEXNXDPL DATA SEQUENCE NETVIGLYQX SSVXTLALLF ATYGGEAEGG GGKKGGKKKG SSFQTVSALF DATA SEQUENCE RENLNXLMAN LRSTHPHFVR CIIPNETXTP GAMEHELVLH QLRCNGVLEG DATA SEQUENCE IRICRKGFPS RVLYADFKQR YRVLNASAIP EGQFMDSKKA SEKLLGGGDV DATA SEQUENCE DHTQYAFGHT XVFFXAGLLG LLEEMRDDXL AEIITATQAR CRGFLMRVEY DATA SEQUENCE RAMVERRESI FCIQYNVRSF MNVXHWPWMX LFFXIXPLLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.323 176.300 0.038 0.000 2.045 4 D CA 0.000 54.015 54.000 0.025 0.000 0.868 4 D CB 0.000 40.809 40.800 0.015 0.000 0.688 5 A N 1.342 124.183 122.820 0.035 0.000 1.865 5 A HA -0.218 4.101 4.320 -0.003 0.000 0.217 5 A C 1.867 179.479 177.584 0.047 0.000 1.191 5 A CA 2.136 54.194 52.037 0.036 0.000 0.623 5 A CB -0.656 18.363 19.000 0.032 0.000 0.826 5 A HN 0.297 nan 8.150 nan 0.000 0.444 6 E N -0.223 120.011 120.200 0.056 0.000 2.021 6 E HA -0.151 4.198 4.350 -0.003 0.000 0.200 6 E C 0.348 177.020 176.600 0.120 0.000 1.015 6 E CA 0.909 57.356 56.400 0.077 0.000 0.824 6 E CB -0.325 29.426 29.700 0.086 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 4.521 4.480 -0.003 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 0.681 33.383 32.600 0.172 0.000 2.025 7 M HN 0.222 nan 8.290 nan 0.000 0.461 8 A N 3.036 125.959 122.820 0.170 0.000 1.429 8 A HA 0.396 4.714 4.320 -0.003 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 -0.926 18.087 19.000 0.022 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 4.232 4.320 -0.003 0.000 0.220 9 A C 1.901 179.280 177.584 -0.343 0.000 1.206 9 A CA 2.317 54.129 52.037 -0.374 0.000 0.647 9 A CB -1.044 17.520 19.000 -0.728 0.000 0.828 9 A HN 0.725 nan 8.150 nan 0.000 0.455 10 F N -1.142 118.800 119.950 -0.013 0.000 2.094 10 F HA 0.292 4.817 4.527 -0.003 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 0.023 0.000 1.221 10 F CB -1.229 37.784 39.000 0.022 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 0.301 0.000 3.773 11 G HA2 -0.529 3.429 3.960 -0.003 0.000 0.355 11 G HA3 -0.529 3.429 3.960 -0.003 0.000 0.355 11 G C 1.271 176.261 174.900 0.149 0.000 1.323 11 G CA 1.288 46.489 45.100 0.168 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.051 121.342 120.200 0.152 0.000 2.160 12 E HA 0.203 4.551 4.350 -0.003 0.000 0.195 12 E C 2.857 179.580 176.600 0.205 0.000 0.991 12 E CA 1.964 58.460 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 0.759 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 4.479 4.320 -0.003 0.000 0.216 13 A C 2.284 179.977 177.584 0.181 0.000 1.163 13 A CA 1.035 53.257 52.037 0.310 0.000 0.676 13 A CB -0.537 18.665 19.000 0.337 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.260 124.137 122.820 0.095 0.000 1.916 14 A HA -0.241 4.077 4.320 -0.003 0.000 0.224 14 A C 0.255 177.757 177.584 -0.137 0.000 1.366 14 A CA 2.472 54.470 52.037 -0.064 0.000 0.692 14 A CB -2.076 16.922 19.000 -0.003 0.000 0.841 14 A HN 0.482 nan 8.150 nan 0.000 0.480 15 P HA -0.148 nan 4.420 nan 0.000 0.220 15 P C 0.529 177.593 177.300 -0.392 0.000 1.144 15 P CA 1.383 64.262 63.100 -0.369 0.000 0.800 15 P CB -0.256 31.121 31.700 -0.539 0.000 0.772 16 Y N -2.428 117.874 120.300 0.004 0.000 2.462 16 Y HA 0.145 4.693 4.550 -0.003 0.000 0.261 16 Y C 1.953 177.837 175.900 -0.026 0.000 1.146 16 Y CA 0.031 58.136 58.100 0.009 0.000 1.283 16 Y CB -0.320 38.138 38.460 -0.003 0.000 1.090 16 Y HN -0.166 nan 8.280 nan 0.000 0.526 17 L N -1.093 120.148 121.223 0.029 0.000 2.435 17 L HA 0.297 4.636 4.340 -0.003 0.000 0.195 17 L C 0.920 177.743 176.870 -0.077 0.000 1.072 17 L CA 0.805 55.614 54.840 -0.051 0.000 0.833 17 L CB -0.201 41.718 42.059 -0.232 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.037 121.227 120.200 -0.017 0.000 2.516 21 E HA -0.135 4.213 4.350 -0.003 0.000 0.206 21 E C 1.175 177.764 176.600 -0.019 0.000 1.107 21 E CA 1.524 57.915 56.400 -0.015 0.000 0.903 21 E CB -0.174 29.521 29.700 -0.007 0.000 0.838 21 E HN 0.629 nan 8.360 nan 0.000 0.574 22 K N -2.185 118.203 120.400 -0.020 0.000 2.474 22 K HA 0.170 4.489 4.320 -0.003 0.000 0.204 22 K C 1.561 178.146 176.600 -0.025 0.000 1.220 22 K CA -0.129 56.145 56.287 -0.021 0.000 0.966 22 K CB 0.108 32.598 32.500 -0.017 0.000 1.049 22 K HN -0.110 nan 8.250 nan 0.000 0.554 23 E N 1.357 121.543 120.200 -0.023 0.000 2.153 23 E HA -0.070 4.278 4.350 -0.003 0.000 0.194 23 E C 1.828 178.411 176.600 -0.029 0.000 0.988 23 E CA 1.124 57.510 56.400 -0.023 0.000 0.811 23 E CB 0.138 29.824 29.700 -0.023 0.000 0.746 23 E HN 0.243 nan 8.360 nan 0.000 0.466 24 R N 0.237 120.718 120.500 -0.032 0.000 2.070 24 R HA -0.068 4.270 4.340 -0.003 0.000 0.227 24 R C 2.467 178.735 176.300 -0.052 0.000 1.147 24 R CA 1.258 57.335 56.100 -0.039 0.000 0.924 24 R CB -0.457 29.821 30.300 -0.037 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.381 121.922 120.570 -0.050 0.000 2.185 25 I HA -0.307 3.861 4.170 -0.003 0.000 0.246 25 I C 1.845 177.928 176.117 -0.056 0.000 1.088 25 I CA 1.634 62.899 61.300 -0.057 0.000 1.347 25 I CB -0.507 37.466 38.000 -0.044 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.396 120.570 120.200 -0.043 0.000 2.418 26 E HA -0.088 4.260 4.350 -0.003 0.000 0.197 26 E C 2.048 178.623 176.600 -0.041 0.000 1.026 26 E CA 0.879 57.257 56.400 -0.037 0.000 0.862 26 E CB 0.057 29.742 29.700 -0.026 0.000 0.799 26 E HN 0.540 nan 8.360 nan 0.000 0.518 27 A N 0.707 123.497 122.820 -0.050 0.000 1.973 27 A HA -0.040 4.278 4.320 -0.003 0.000 0.210 27 A C 1.946 179.479 177.584 -0.085 0.000 1.200 27 A CA 0.182 52.187 52.037 -0.053 0.000 0.707 27 A CB 0.098 19.072 19.000 -0.044 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.328 120.063 119.800 -0.109 0.000 2.187 28 Q HA 0.032 4.370 4.340 -0.003 0.000 0.199 28 Q C 0.081 175.978 176.000 -0.172 0.000 0.957 28 Q CA 0.488 56.190 55.803 -0.167 0.000 0.857 28 Q CB -0.039 28.585 28.738 -0.191 0.000 0.929 28 Q HN 0.562 nan 8.270 nan 0.000 0.453 32 F N 1.147 121.060 119.950 -0.063 0.000 2.574 32 F HA 0.382 4.907 4.527 -0.003 0.000 0.313 32 F C -1.043 174.722 175.800 -0.058 0.000 1.130 32 F CA -0.520 57.440 58.000 -0.066 0.000 0.936 32 F CB 2.181 41.138 39.000 -0.072 0.000 1.219 32 F HN 0.178 nan 8.300 nan 0.000 0.445 33 D N 5.069 125.046 120.400 -0.704 0.000 2.458 33 D HA 0.470 5.109 4.640 -0.003 0.000 0.258 33 D C 0.174 176.118 176.300 -0.593 0.000 1.134 33 D CA 0.144 53.862 54.000 -0.468 0.000 0.915 33 D CB 1.335 41.954 40.800 -0.302 0.000 1.028 33 D HN 0.758 nan 8.370 nan 0.000 0.508 37 S N 2.014 117.532 115.700 -0.304 0.000 2.533 37 S HA 0.698 5.166 4.470 -0.003 0.000 0.282 37 S C -0.195 174.260 174.600 -0.243 0.000 1.304 37 S CA -0.330 57.669 58.200 -0.336 0.000 1.063 37 S CB 1.455 64.320 63.200 -0.559 0.000 0.881 37 S HN 0.621 nan 8.310 nan 0.000 0.493 38 V N 1.958 121.722 119.914 -0.251 0.000 3.258 38 V HA 0.512 4.631 4.120 -0.003 0.000 0.299 38 V C -1.460 174.441 176.094 -0.322 0.000 1.376 38 V CA -0.915 61.252 62.300 -0.221 0.000 1.063 38 V CB 2.070 33.842 31.823 -0.085 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.180 121.113 119.950 -0.028 0.000 2.425 39 F HA 0.857 5.382 4.527 -0.003 0.000 0.331 39 F C 0.142 176.047 175.800 0.175 0.000 1.085 39 F CA -0.547 57.436 58.000 -0.029 0.000 1.028 39 F CB 1.886 40.767 39.000 -0.198 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.429 122.657 119.914 0.523 0.000 3.178 40 V HA 0.488 4.607 4.120 -0.003 0.000 0.302 40 V C -0.968 175.490 176.094 0.607 0.000 1.262 40 V CA -0.922 61.681 62.300 0.505 0.000 1.030 40 V CB 2.579 34.557 31.823 0.259 0.000 1.074 40 V HN 0.485 nan 8.190 nan 0.000 0.438 41 V N 3.804 124.001 119.914 0.472 0.000 3.139 41 V HA 0.342 4.461 4.120 -0.003 0.000 0.307 41 V C -0.332 175.885 176.094 0.205 0.000 1.095 41 V CA 0.385 62.819 62.300 0.223 0.000 1.160 41 V CB 1.017 32.935 31.823 0.158 0.000 1.003 41 V HN 0.998 nan 8.190 nan 0.000 0.489 42 H N 5.170 124.214 119.070 -0.044 0.000 3.188 42 H HA 0.302 4.857 4.556 -0.003 0.000 0.325 42 H C -2.400 172.913 175.328 -0.025 0.000 1.033 42 H CA -1.591 54.461 56.048 0.007 0.000 1.443 42 H CB 2.194 32.001 29.762 0.074 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.182 nan 4.420 nan 0.000 0.217 43 P C 1.027 178.462 177.300 0.225 0.000 1.158 43 P CA 1.611 64.809 63.100 0.162 0.000 0.887 43 P CB 0.767 32.491 31.700 0.041 0.000 0.792 44 K N -1.149 119.500 120.400 0.415 0.000 2.056 44 K HA 0.053 4.371 4.320 -0.003 0.000 0.205 44 K C 1.238 177.813 176.600 -0.043 0.000 1.035 44 K CA 0.746 57.127 56.287 0.156 0.000 0.955 44 K CB -0.243 32.360 32.500 0.171 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.116 119.678 119.800 -0.396 0.000 2.261 45 Q HA 0.151 4.490 4.340 -0.003 0.000 0.252 45 Q C 0.662 176.572 176.000 -0.150 0.000 0.915 45 Q CA -0.217 55.391 55.803 -0.326 0.000 0.915 45 Q CB 1.801 30.297 28.738 -0.403 0.000 1.204 45 Q HN 0.147 nan 8.270 nan 0.000 0.421 46 S N 1.981 117.693 115.700 0.020 0.000 2.389 46 S HA -0.143 4.325 4.470 -0.003 0.000 0.229 46 S C -0.172 174.265 174.600 -0.272 0.000 1.048 46 S CA 1.512 59.656 58.200 -0.093 0.000 1.117 46 S CB 0.060 63.243 63.200 -0.028 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.015 119.033 119.950 0.162 0.000 2.607 47 F HA 0.577 5.102 4.527 -0.003 0.000 0.322 47 F C -0.180 175.831 175.800 0.353 0.000 1.176 47 F CA -0.699 57.430 58.000 0.214 0.000 0.977 47 F CB 1.494 40.555 39.000 0.102 0.000 1.242 47 F HN -0.078 nan 8.300 nan 0.000 0.465 51 T N 1.329 115.835 114.554 -0.079 0.000 2.797 51 T HA 0.507 4.855 4.350 -0.003 0.000 0.279 51 T C 0.190 174.847 174.700 -0.071 0.000 0.991 51 T CA -0.430 61.611 62.100 -0.098 0.000 0.979 51 T CB 1.210 70.021 68.868 -0.096 0.000 0.943 51 T HN 0.416 nan 8.240 nan 0.000 0.444 52 I N 3.851 124.375 120.570 -0.078 0.000 2.533 52 I HA 0.119 4.287 4.170 -0.003 0.000 0.284 52 I C 1.359 177.445 176.117 -0.052 0.000 1.109 52 I CA 0.056 61.322 61.300 -0.057 0.000 1.412 52 I CB 0.430 38.395 38.000 -0.057 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.043 123.820 119.800 -0.039 0.000 2.240 53 Q HA 0.125 4.463 4.340 -0.003 0.000 0.194 53 Q C 0.585 176.567 176.000 -0.031 0.000 0.982 53 Q CA 0.807 56.590 55.803 -0.034 0.000 0.842 53 Q CB 0.089 28.810 28.738 -0.028 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.603 109.397 108.800 -0.011 0.000 2.245 57 G HA2 -0.273 3.686 3.960 -0.003 0.000 0.264 57 G HA3 -0.273 3.686 3.960 -0.003 0.000 0.264 57 G C 0.517 175.411 174.900 -0.010 0.000 0.985 57 G CA 0.498 45.592 45.100 -0.009 0.000 0.625 57 G HN 0.819 nan 8.290 nan 0.000 0.536 61 T N 2.261 116.803 114.554 -0.019 0.000 2.771 61 T HA 0.879 5.227 4.350 -0.003 0.000 0.281 61 T C -0.387 174.302 174.700 -0.019 0.000 0.982 61 T CA -0.684 61.405 62.100 -0.018 0.000 0.978 61 T CB 1.868 70.725 68.868 -0.018 0.000 0.930 61 T HN 0.530 nan 8.240 nan 0.000 0.447 65 E N 0.571 120.804 120.200 0.055 0.000 2.267 65 E HA 0.496 4.845 4.350 -0.003 0.000 0.241 65 E C 0.488 177.129 176.600 0.068 0.000 0.950 65 E CA 0.037 56.466 56.400 0.048 0.000 0.776 65 E CB 0.349 30.075 29.700 0.043 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.828 110.660 108.800 0.054 0.000 3.259 66 G HA2 -0.037 3.922 3.960 -0.003 0.000 0.217 66 G HA3 -0.037 3.922 3.960 -0.003 0.000 0.217 66 G C 0.423 175.350 174.900 0.045 0.000 0.993 66 G CA -0.168 44.965 45.100 0.054 0.000 0.836 66 G HN 0.802 nan 8.290 nan 0.000 0.514 67 G N -0.179 108.647 108.800 0.043 0.000 3.055 67 G HA2 0.438 4.396 3.960 -0.003 0.000 0.654 67 G HA3 0.438 4.396 3.960 -0.003 0.000 0.654 67 G C -0.703 174.217 174.900 0.035 0.000 1.134 67 G CA 0.823 45.941 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 5.083 4.350 -0.003 0.000 0.281 68 E C -0.388 176.217 176.600 0.007 0.000 1.046 68 E CA -0.374 56.040 56.400 0.023 0.000 0.825 68 E CB 1.525 31.249 29.700 0.040 0.000 1.243 68 E HN 0.752 nan 8.360 nan 0.000 0.438 69 T N 1.505 116.053 114.554 -0.009 0.000 2.841 69 T HA 0.711 5.059 4.350 -0.003 0.000 0.285 69 T C -0.842 173.840 174.700 -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 2.159 123.364 121.223 -0.030 0.000 2.422 70 L HA 0.626 4.964 4.340 -0.003 0.000 0.264 70 L C -0.319 176.535 176.870 -0.027 0.000 0.984 70 L CA -0.474 54.341 54.840 -0.042 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 2.418 116.957 114.554 -0.026 0.000 2.801 71 T HA 0.560 4.908 4.350 -0.003 0.000 0.306 71 T C -0.528 174.161 174.700 -0.018 0.000 1.020 71 T CA -0.320 61.769 62.100 -0.020 0.000 0.948 71 T CB 1.038 69.896 68.868 -0.018 0.000 0.962 71 T HN 0.193 nan 8.240 nan 0.000 0.465 72 V N 3.361 123.267 119.914 -0.014 0.000 2.864 72 V HA 0.446 4.564 4.120 -0.003 0.000 0.314 72 V C 0.440 176.523 176.094 -0.017 0.000 1.073 72 V CA -1.159 61.135 62.300 -0.010 0.000 0.956 72 V CB 2.321 34.145 31.823 0.003 0.000 1.023 72 V HN 0.737 nan 8.190 nan 0.000 0.435 73 K N 1.497 121.887 120.400 -0.017 0.000 2.414 73 K HA -0.132 4.186 4.320 -0.003 0.000 0.266 73 K C 1.234 177.806 176.600 -0.048 0.000 0.976 73 K CA 1.182 57.454 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 0.282 120.452 120.200 -0.049 0.000 2.107 74 E HA -0.138 4.210 4.350 -0.003 0.000 0.191 74 E C 0.105 176.631 176.600 -0.124 0.000 0.982 74 E CA 1.298 57.658 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 -0.641 119.688 120.400 -0.118 0.000 2.706 75 D HA 0.067 4.705 4.640 -0.003 0.000 0.236 75 D C 0.432 176.565 176.300 -0.278 0.000 1.231 75 D CA 0.007 53.887 54.000 -0.200 0.000 0.828 75 D CB 0.350 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 -0.689 118.953 119.800 -0.263 0.000 2.189 76 Q HA 0.268 4.607 4.340 -0.003 0.000 0.223 76 Q C -0.785 175.087 176.000 -0.214 0.000 0.828 76 Q CA 0.022 55.751 55.803 -0.123 0.000 0.967 76 Q CB 1.316 30.057 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 4.620 4.120 -0.003 0.000 0.291 77 V C -1.135 174.601 176.094 -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 1.814 121.835 119.950 0.118 0.000 2.547 78 F HA 0.508 5.033 4.527 -0.003 0.000 0.316 78 F C 0.738 176.624 175.800 0.144 0.000 1.121 78 F CA -0.587 57.500 58.000 0.146 0.000 0.911 78 F CB 1.841 40.764 39.000 -0.128 0.000 1.179 78 F HN 0.352 nan 8.300 nan 0.000 0.443 79 S N 2.494 118.483 115.700 0.480 0.000 2.589 79 S HA 0.263 4.731 4.470 -0.003 0.000 0.256 79 S C -0.315 174.389 174.600 0.175 0.000 1.383 79 S CA -0.139 58.216 58.200 0.258 0.000 0.983 79 S CB 0.338 63.680 63.200 0.237 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.136 121.689 119.600 -0.077 0.000 2.267 80 M HA 0.316 4.794 4.480 -0.003 0.000 0.289 80 M C -1.070 175.182 176.300 -0.079 0.000 1.043 80 M CA -0.555 54.680 55.300 -0.108 0.000 0.928 80 M CB 1.052 33.464 32.600 -0.314 0.000 1.613 80 M HN 0.508 nan 8.290 nan 0.000 0.450 81 N N 5.725 124.386 118.700 -0.065 0.000 2.454 81 N HA 0.210 4.948 4.740 -0.003 0.000 0.254 81 N C -2.502 172.812 175.510 -0.326 0.000 1.228 81 N CA -0.517 52.489 53.050 -0.074 0.000 0.900 81 N CB 0.305 38.846 38.487 0.090 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 -2.354 174.547 177.300 -0.665 0.000 1.217 82 P CA -0.708 61.876 63.100 -0.860 0.000 0.783 82 P CB -0.464 31.013 31.700 -0.371 0.000 0.898 89 E N 2.045 122.319 120.200 0.122 0.000 2.118 89 E HA -0.181 4.167 4.350 -0.003 0.000 0.195 89 E C 0.167 176.908 176.600 0.235 0.000 0.992 89 E CA 1.239 57.731 56.400 0.153 0.000 0.804 89 E CB 0.305 30.118 29.700 0.189 0.000 0.741 89 E HN 0.380 nan 8.360 nan 0.000 0.458 90 D N -0.785 119.740 120.400 0.209 0.000 2.420 90 D HA 0.125 4.763 4.640 -0.003 0.000 0.255 90 D C 0.643 177.003 176.300 0.101 0.000 1.185 90 D CA -0.170 53.947 54.000 0.195 0.000 0.904 90 D CB 0.683 41.568 40.800 0.141 0.000 1.102 90 D HN -0.042 nan 8.370 nan 0.000 0.534 91 M N 1.492 121.146 119.600 0.090 0.000 2.337 91 M HA -0.142 4.336 4.480 -0.003 0.000 0.261 91 M C 1.740 178.030 176.300 -0.016 0.000 1.067 91 M CA 1.179 56.499 55.300 0.033 0.000 1.074 91 M CB -0.117 32.502 32.600 0.032 0.000 1.395 91 M HN 0.360 nan 8.290 nan 0.000 0.431 92 A N -0.493 122.325 122.820 -0.003 0.000 2.255 92 A HA 0.089 4.407 4.320 -0.003 0.000 0.206 92 A C 1.888 179.410 177.584 -0.104 0.000 1.193 92 A CA 0.652 52.658 52.037 -0.051 0.000 0.794 92 A CB -0.589 18.389 19.000 -0.037 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.424 118.121 119.600 -0.091 0.000 2.367 93 M HA 0.285 4.763 4.480 -0.003 0.000 0.256 93 M C 0.309 176.493 176.300 -0.192 0.000 1.091 93 M CA -0.001 55.235 55.300 -0.108 0.000 1.049 93 M CB 0.080 32.666 32.600 -0.023 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.310 119.117 119.600 -0.288 0.000 2.252 94 M HA -0.094 4.384 4.480 -0.003 0.000 0.321 94 M C 1.280 177.295 176.300 -0.474 0.000 1.070 94 M CA 0.788 55.730 55.300 -0.597 0.000 1.143 94 M CB 0.393 32.788 32.600 -0.342 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.034 114.180 114.554 -0.567 0.000 3.122 95 T HA 0.133 4.482 4.350 -0.003 0.000 0.250 95 T C -0.665 173.859 174.700 -0.294 0.000 1.067 95 T CA 0.278 62.206 62.100 -0.288 0.000 0.966 95 T CB -0.281 68.497 68.868 -0.151 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.869 119.765 119.070 -0.290 0.000 2.854 96 H HA 0.396 4.950 4.556 -0.003 0.000 0.275 96 H C -1.230 173.898 175.328 -0.334 0.000 1.198 96 H CA -0.698 55.173 56.048 -0.294 0.000 1.489 96 H CB 0.565 30.225 29.762 -0.170 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.046 125.103 121.223 -0.276 0.000 2.358 97 L HA 0.251 4.589 4.340 -0.003 0.000 0.274 97 L C 0.106 176.837 176.870 -0.232 0.000 1.136 97 L CA 0.094 54.812 54.840 -0.204 0.000 0.970 97 L CB -1.300 40.661 42.059 -0.162 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.719 118.293 119.070 -0.098 0.000 2.896 98 H HA 0.318 4.872 4.556 -0.003 0.000 0.318 98 H C 0.557 175.698 175.328 -0.312 0.000 1.409 98 H CA -0.656 55.273 56.048 -0.198 0.000 1.328 98 H CB 1.817 31.385 29.762 -0.323 0.000 1.940 98 H HN 0.390 nan 8.280 nan 0.000 0.665 99 E N 0.225 120.245 120.200 -0.299 0.000 2.042 99 E HA -0.023 4.325 4.350 -0.003 0.000 0.189 99 E C -1.034 175.182 176.600 -0.640 0.000 0.974 99 E CA 0.264 56.411 56.400 -0.422 0.000 0.806 99 E CB -0.552 28.911 29.700 -0.394 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.133 nan 4.420 nan 0.000 0.215 100 P C 0.996 177.734 177.300 -0.936 0.000 1.157 100 P CA 1.855 64.171 63.100 -1.307 0.000 0.863 100 P CB -0.108 30.456 31.700 -1.894 0.000 0.787 101 A N -0.628 121.743 122.820 -0.748 0.000 2.032 101 A HA -0.154 4.164 4.320 -0.003 0.000 0.221 101 A C 2.319 179.815 177.584 -0.145 0.000 1.165 101 A CA 1.752 53.623 52.037 -0.277 0.000 0.645 101 A CB -1.684 17.437 19.000 0.202 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.561 119.239 119.914 -0.189 0.000 2.446 102 V HA -0.134 3.985 4.120 -0.003 0.000 0.244 102 V C 2.390 178.389 176.094 -0.160 0.000 1.039 102 V CA 1.554 63.776 62.300 -0.130 0.000 1.045 102 V CB -0.488 31.263 31.823 -0.119 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.087 120.987 121.223 -0.248 0.000 1.994 103 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 103 L C 2.283 178.962 176.870 -0.318 0.000 1.071 103 L CA 2.226 56.880 54.840 -0.310 0.000 0.745 103 L CB -1.147 40.666 42.059 -0.409 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.042 120.157 120.300 -0.309 0.000 2.256 104 Y HA -0.248 4.300 4.550 -0.003 0.000 0.288 104 Y C 2.663 178.525 175.900 -0.063 0.000 1.155 104 Y CA 2.018 60.010 58.100 -0.179 0.000 1.203 104 Y CB -0.625 37.725 38.460 -0.183 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.439 118.294 118.700 0.055 0.000 2.216 105 N HA -0.093 4.645 4.740 -0.003 0.000 0.183 105 N C 0.481 176.002 175.510 0.019 0.000 1.017 105 N CA 0.239 53.323 53.050 0.055 0.000 0.861 105 N CB -0.150 38.365 38.487 0.047 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.495 121.017 120.500 0.036 0.000 2.319 109 R HA 0.112 4.450 4.340 -0.003 0.000 0.204 109 R C 1.513 177.839 176.300 0.043 0.000 0.954 109 R CA 0.716 56.832 56.100 0.027 0.000 1.066 109 R CB -0.133 30.187 30.300 0.032 0.000 0.991 109 R HN 0.151 nan 8.270 nan 0.000 0.486 110 Y N 0.915 121.136 120.300 -0.133 0.000 2.464 110 Y HA 0.371 4.919 4.550 -0.003 0.000 0.288 110 Y C 2.271 177.942 175.900 -0.382 0.000 1.133 110 Y CA 0.192 58.179 58.100 -0.188 0.000 1.223 110 Y CB -0.120 38.246 38.460 -0.156 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.253 122.832 122.820 -0.401 0.000 2.178 111 A HA 0.134 4.453 4.320 -0.003 0.000 0.218 111 A C 1.912 179.076 177.584 -0.699 0.000 1.157 111 A CA 1.402 53.070 52.037 -0.616 0.000 0.689 111 A CB -1.081 17.748 19.000 -0.286 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.316 119.251 122.820 -0.422 0.000 2.430 112 A HA 0.417 4.736 4.320 -0.003 0.000 0.243 112 A C 0.356 177.955 177.584 0.024 0.000 1.254 112 A CA -0.186 51.739 52.037 -0.186 0.000 0.914 112 A CB -0.427 18.536 19.000 -0.063 0.000 0.998 112 A HN 0.712 nan 8.150 nan 0.000 0.515 113 W N -1.477 119.785 121.300 -0.063 0.000 4.301 113 W HA -0.169 4.489 4.660 -0.003 0.000 0.360 113 W C -0.556 175.999 176.519 0.061 0.000 1.371 113 W CA 0.770 58.106 57.345 -0.015 0.000 0.781 113 W CB -2.346 27.181 29.460 0.112 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.893 120.583 119.600 0.149 0.000 2.066 114 M HA 0.275 4.753 4.480 -0.003 0.000 0.340 114 M C 1.522 177.840 176.300 0.030 0.000 1.053 114 M CA -0.183 55.174 55.300 0.095 0.000 0.983 114 M CB 0.662 33.299 32.600 0.062 0.000 1.520 114 M HN 0.102 nan 8.290 nan 0.000 0.428 115 I N -0.761 119.726 120.570 -0.138 0.000 3.226 115 I HA 0.111 4.280 4.170 -0.003 0.000 0.277 115 I C -0.519 175.285 176.117 -0.522 0.000 1.243 115 I CA 0.535 61.634 61.300 -0.336 0.000 1.459 115 I CB 0.125 37.818 38.000 -0.513 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.135 122.407 120.300 -0.046 0.000 2.402 116 Y HA 0.548 5.096 4.550 -0.003 0.000 0.332 116 Y C 0.318 176.114 175.900 -0.174 0.000 0.960 116 Y CA -1.176 56.850 58.100 -0.122 0.000 1.228 116 Y CB 1.235 39.595 38.460 -0.167 0.000 1.120 116 Y HN -0.050 nan 8.280 nan 0.000 0.491 117 T N 3.182 117.735 114.554 -0.002 0.000 2.861 117 T HA 0.589 4.937 4.350 -0.003 0.000 0.287 117 T C -1.117 173.565 174.700 -0.030 0.000 1.003 117 T CA -0.552 61.517 62.100 -0.050 0.000 0.977 117 T CB 0.421 69.289 68.868 0.000 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.216 122.589 120.300 0.122 0.000 2.307 118 Y HA 0.557 5.106 4.550 -0.003 0.000 0.324 118 Y C 1.292 177.262 175.900 0.117 0.000 1.238 118 Y CA -0.783 57.395 58.100 0.130 0.000 1.280 118 Y CB 1.676 40.205 38.460 0.114 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.248 117.159 115.700 0.352 0.000 2.327 119 S HA 0.553 5.021 4.470 -0.003 0.000 0.203 119 S C 0.326 175.049 174.600 0.205 0.000 1.326 119 S CA 0.266 58.617 58.200 0.252 0.000 1.248 119 S CB -0.938 62.408 63.200 0.244 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.037 110.900 108.800 0.106 0.000 3.110 120 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.238 120 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.238 120 G C 0.262 175.128 174.900 -0.057 0.000 1.647 120 G CA 0.082 45.170 45.100 -0.020 0.000 1.146 120 G HN 0.535 nan 8.290 nan 0.000 0.545 121 L N 1.110 122.230 121.223 -0.172 0.000 2.515 121 L HA 0.478 4.816 4.340 -0.003 0.000 0.223 121 L C 1.076 178.000 176.870 0.090 0.000 1.079 121 L CA -0.149 54.651 54.840 -0.065 0.000 0.857 121 L CB -0.033 42.007 42.059 -0.031 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.817 119.270 119.950 0.228 0.000 2.535 122 F HA 0.037 4.562 4.527 -0.003 0.000 0.332 122 F C 0.719 176.698 175.800 0.298 0.000 1.208 122 F CA -0.923 57.206 58.000 0.214 0.000 1.330 122 F CB 0.170 39.222 39.000 0.086 0.000 1.167 122 F HN -0.206 nan 8.300 nan 0.000 0.597 123 C N 3.890 123.491 119.300 0.501 0.000 2.814 123 C HA 0.652 5.111 4.460 -0.003 0.000 0.269 123 C C -0.541 174.573 174.990 0.205 0.000 1.090 123 C CA -0.689 58.538 59.018 0.348 0.000 1.492 123 C CB -1.466 26.427 27.740 0.255 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 4.997 125.010 119.914 0.165 0.000 2.763 124 V HA 0.337 4.455 4.120 -0.003 0.000 0.306 124 V C 0.803 176.954 176.094 0.096 0.000 1.059 124 V CA 0.793 63.135 62.300 0.069 0.000 1.138 124 V CB 1.273 33.108 31.823 0.019 0.000 0.940 124 V HN 0.852 nan 8.190 nan 0.000 0.489 125 T N 3.497 118.076 114.554 0.042 0.000 3.011 125 T HA 0.514 4.862 4.350 -0.003 0.000 0.303 125 T C -0.692 173.940 174.700 -0.114 0.000 0.997 125 T CA -0.357 61.761 62.100 0.030 0.000 1.007 125 T CB 1.523 70.484 68.868 0.155 0.000 1.017 125 T HN 0.457 nan 8.240 nan 0.000 0.443 126 V N 3.677 123.462 119.914 -0.216 0.000 2.459 126 V HA 0.445 4.563 4.120 -0.003 0.000 0.295 126 V C 0.576 176.512 176.094 -0.263 0.000 1.029 126 V CA -1.218 60.903 62.300 -0.300 0.000 0.874 126 V CB 1.546 33.074 31.823 -0.491 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.559 124.060 118.700 -0.333 0.000 2.417 127 N HA 0.055 4.793 4.740 -0.003 0.000 0.272 127 N C -1.444 173.815 175.510 -0.418 0.000 1.304 127 N CA -1.070 51.705 53.050 -0.459 0.000 0.906 127 N CB 1.206 39.231 38.487 -0.771 0.000 1.135 127 N HN 0.486 nan 8.380 nan 0.000 0.483 128 P HA -0.097 nan 4.420 nan 0.000 0.215 128 P C -0.541 176.805 177.300 0.077 0.000 1.157 128 P CA 1.020 64.122 63.100 0.003 0.000 0.863 128 P CB 0.096 31.756 31.700 -0.067 0.000 0.787 132 L N 5.512 125.977 121.223 -1.263 0.000 2.445 132 L HA 0.546 4.884 4.340 -0.003 0.000 0.262 132 L C -1.745 174.076 176.870 -1.748 0.000 0.974 132 L CA -1.838 52.252 54.840 -1.250 0.000 0.822 132 L CB 2.701 44.273 42.059 -0.811 0.000 1.339 132 L HN 0.210 nan 8.230 nan 0.000 0.409 133 P HA 0.032 nan 4.420 nan 0.000 0.258 133 P C 1.045 178.306 177.300 -0.065 0.000 1.319 133 P CA 0.309 63.158 63.100 -0.418 0.000 0.785 133 P CB 0.199 31.951 31.700 0.085 0.000 1.252 134 V N -1.478 118.410 119.914 -0.045 0.000 2.719 134 V HA -0.162 3.956 4.120 -0.003 0.000 0.252 134 V C 1.522 177.935 176.094 0.531 0.000 1.065 134 V CA 1.510 63.990 62.300 0.299 0.000 1.086 134 V CB -1.280 30.742 31.823 0.332 0.000 0.700 134 V HN 0.077 nan 8.190 nan 0.000 0.467 135 Y N -0.129 120.273 120.300 0.170 0.000 2.471 135 Y HA 0.231 4.780 4.550 -0.003 0.000 0.286 135 Y C 1.170 177.232 175.900 0.270 0.000 1.188 135 Y CA -1.162 57.144 58.100 0.344 0.000 1.286 135 Y CB -1.349 37.245 38.460 0.223 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.245 122.155 118.700 0.350 0.000 2.359 136 N HA -0.043 4.695 4.740 -0.003 0.000 0.261 136 N C -2.307 173.289 175.510 0.144 0.000 1.267 136 N CA -0.927 52.271 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 1.102 120.836 119.914 -0.299 0.000 2.277 140 V HA -0.353 3.766 4.120 -0.003 0.000 0.255 140 V C 2.309 178.312 176.094 -0.151 0.000 1.074 140 V CA 3.123 65.193 62.300 -0.383 0.000 1.058 140 V CB -0.508 31.128 31.823 -0.312 0.000 0.656 140 V HN 0.486 nan 8.190 nan 0.000 0.449 141 L N -0.176 120.956 121.223 -0.153 0.000 2.044 141 L HA -0.018 4.321 4.340 -0.003 0.000 0.205 141 L C 2.626 179.414 176.870 -0.136 0.000 1.075 141 L CA 2.045 56.805 54.840 -0.132 0.000 0.747 141 L CB -1.202 40.772 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 4.050 4.320 -0.003 0.000 0.219 142 A C 2.066 179.497 177.584 -0.254 0.000 1.182 142 A CA 1.846 53.633 52.037 -0.417 0.000 0.633 142 A CB -1.064 17.369 19.000 -0.945 0.000 0.819 142 A HN 0.456 nan 8.150 nan 0.000 0.448 143 Y N -1.024 119.257 120.300 -0.031 0.000 2.529 143 Y HA 0.176 4.724 4.550 -0.003 0.000 0.290 143 Y C 1.038 176.978 175.900 0.067 0.000 1.177 143 Y CA 0.282 58.424 58.100 0.070 0.000 1.305 143 Y CB -0.053 38.461 38.460 0.090 0.000 1.047 143 Y HN 0.153 nan 8.280 nan 0.000 0.522 144 R N 0.779 121.362 120.500 0.139 0.000 2.242 144 R HA 0.375 4.713 4.340 -0.003 0.000 0.334 144 R C 0.770 177.109 176.300 0.064 0.000 1.071 144 R CA 0.106 56.266 56.100 0.099 0.000 0.922 144 R CB -0.392 29.914 30.300 0.009 0.000 1.023 144 R HN 0.396 nan 8.270 nan 0.000 0.458 145 G N 2.754 111.608 108.800 0.089 0.000 2.132 145 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.234 145 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.234 145 G C -0.460 174.469 174.900 0.049 0.000 0.989 145 G CA 0.091 45.226 45.100 0.058 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.156 121.607 120.400 0.084 0.000 2.265 146 K HA 0.536 4.854 4.320 -0.003 0.000 0.267 146 K C 0.638 177.300 176.600 0.103 0.000 0.994 146 K CA -0.749 55.596 56.287 0.095 0.000 0.860 146 K CB 0.872 33.459 32.500 0.144 0.000 1.099 146 K HN 0.090 nan 8.250 nan 0.000 0.448 147 K N 1.806 122.243 120.400 0.063 0.000 2.336 147 K HA 0.009 4.327 4.320 -0.003 0.000 0.262 147 K C 0.972 177.647 176.600 0.124 0.000 0.992 147 K CA 0.016 56.337 56.287 0.056 0.000 0.927 147 K CB 0.306 32.827 32.500 0.033 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.476 121.049 120.500 0.121 0.000 2.369 148 R HA -0.098 4.240 4.340 -0.003 0.000 0.200 148 R C 0.497 176.900 176.300 0.171 0.000 1.046 148 R CA 1.087 57.291 56.100 0.173 0.000 1.057 148 R CB -0.125 30.225 30.300 0.083 0.000 0.888 148 R HN 0.484 nan 8.270 nan 0.000 0.474 149 Q N 0.469 120.348 119.800 0.132 0.000 2.352 149 Q HA 0.094 4.432 4.340 -0.003 0.000 0.212 149 Q C 0.812 176.890 176.000 0.130 0.000 0.888 149 Q CA 0.420 56.298 55.803 0.126 0.000 0.934 149 Q CB 0.707 29.506 28.738 0.101 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.276 120.555 120.200 0.131 0.000 2.478 150 E HA 0.245 4.593 4.350 -0.003 0.000 0.194 150 E C -0.126 176.556 176.600 0.136 0.000 1.045 150 E CA 0.166 56.635 56.400 0.116 0.000 0.868 150 E CB 0.650 30.407 29.700 0.095 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.685 124.619 122.820 0.190 0.000 2.587 151 A HA 0.524 4.842 4.320 -0.003 0.000 0.293 151 A C -2.785 174.970 177.584 0.284 0.000 1.087 151 A CA -1.556 50.606 52.037 0.208 0.000 0.692 151 A CB 1.137 20.268 19.000 0.218 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.354 nan 4.420 nan 0.000 0.272 152 P C -2.752 174.705 177.300 0.263 0.000 1.240 152 P CA -1.383 61.824 63.100 0.179 0.000 0.791 152 P CB -0.648 31.058 31.700 0.010 0.000 0.978 153 P HA 0.033 nan 4.420 nan 0.000 0.258 153 P C -0.413 176.816 177.300 -0.117 0.000 1.187 153 P CA 1.193 64.088 63.100 -0.340 0.000 0.767 153 P CB -0.252 31.080 31.700 -0.613 0.000 0.770 154 H N 1.612 120.412 119.070 -0.449 0.000 3.094 154 H HA 0.208 4.762 4.556 -0.003 0.000 0.335 154 H C 0.707 175.498 175.328 -0.894 0.000 1.254 154 H CA -0.777 54.762 56.048 -0.849 0.000 1.240 154 H CB 1.364 30.656 29.762 -0.784 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.461 122.307 120.570 -1.206 0.000 2.361 155 I HA -0.261 3.908 4.170 -0.003 0.000 0.251 155 I C 1.184 176.618 176.117 -1.138 0.000 1.133 155 I CA 1.297 61.961 61.300 -1.060 0.000 1.413 155 I CB -0.047 37.272 38.000 -1.136 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.518 118.574 119.950 -1.430 0.000 2.502 156 F HA -0.126 4.399 4.527 -0.003 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 -1.325 0.000 1.445 156 F CB -0.778 37.457 39.000 -1.276 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.378 115.678 115.700 -0.667 0.000 2.355 157 S HA -0.149 4.320 4.470 -0.003 0.000 0.222 157 S C 2.156 176.670 174.600 -0.143 0.000 1.031 157 S CA 1.098 59.162 58.200 -0.226 0.000 0.993 157 S CB -0.371 62.846 63.200 0.028 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.507 121.961 120.570 -0.194 0.000 2.142 158 I HA -0.175 3.994 4.170 -0.003 0.000 0.240 158 I C 2.667 178.664 176.117 -0.200 0.000 1.078 158 I CA 1.662 62.877 61.300 -0.141 0.000 1.343 158 I CB -0.466 37.474 38.000 -0.099 0.000 1.046 158 I HN 0.405 nan 8.210 nan 0.000 0.405 159 S N -0.819 114.702 115.700 -0.300 0.000 2.442 159 S HA -0.239 4.230 4.470 -0.003 0.000 0.236 159 S C 1.904 176.412 174.600 -0.153 0.000 1.007 159 S CA 1.680 59.706 58.200 -0.290 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 0.748 121.070 120.400 -0.131 0.000 2.259 160 D HA 0.019 4.658 4.640 -0.003 0.000 0.216 160 D C 1.767 178.161 176.300 0.157 0.000 0.961 160 D CA 0.387 54.458 54.000 0.117 0.000 0.878 160 D CB -0.289 40.602 40.800 0.152 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.877 119.611 118.700 0.057 0.000 2.149 161 N HA -0.152 4.586 4.740 -0.003 0.000 0.188 161 N C 1.854 177.484 175.510 0.201 0.000 1.019 161 N CA 0.998 54.084 53.050 0.060 0.000 0.857 161 N CB 0.041 38.578 38.487 0.085 0.000 0.997 161 N HN 0.157 nan 8.380 nan 0.000 0.426 162 A N 0.960 123.817 122.820 0.061 0.000 1.851 162 A HA -0.229 4.089 4.320 -0.003 0.000 0.216 162 A C 2.097 179.823 177.584 0.236 0.000 1.195 162 A CA 1.284 53.358 52.037 0.062 0.000 0.622 162 A CB -1.212 17.837 19.000 0.081 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 0.151 0.000 2.081 163 Y HA -0.308 4.240 4.550 -0.003 0.000 0.280 163 Y C 2.656 178.563 175.900 0.012 0.000 1.163 163 Y CA 2.294 60.429 58.100 0.060 0.000 1.135 163 Y CB -0.674 37.876 38.460 0.151 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.161 118.698 119.800 0.098 0.000 1.927 164 Q HA -0.256 4.082 4.340 -0.003 0.000 0.210 164 Q C 2.180 178.132 176.000 -0.080 0.000 1.001 164 Q CA 2.132 57.892 55.803 -0.071 0.000 0.862 164 Q CB -0.703 27.939 28.738 -0.161 0.000 0.934 164 Q HN 0.433 nan 8.270 nan 0.000 0.420 165 F N 0.724 120.660 119.950 -0.022 0.000 2.141 165 F HA -0.323 4.202 4.527 -0.003 0.000 0.300 165 F C 2.376 178.121 175.800 -0.092 0.000 1.079 165 F CA 1.478 59.483 58.000 0.008 0.000 1.264 165 F CB -0.550 38.524 39.000 0.123 0.000 1.011 165 F HN 0.247 nan 8.300 nan 0.000 0.487 166 M N -0.321 119.311 119.600 0.054 0.000 2.059 166 M HA -0.234 4.245 4.480 -0.003 0.000 0.259 166 M C 2.085 178.150 176.300 -0.391 0.000 1.072 166 M CA 2.042 57.219 55.300 -0.206 0.000 1.117 166 M CB -0.452 31.989 32.600 -0.265 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.848 120.154 121.223 -0.367 0.000 2.156 167 L HA -0.108 4.230 4.340 -0.003 0.000 0.208 167 L C 2.299 179.061 176.870 -0.180 0.000 1.095 167 L CA 1.253 55.911 54.840 -0.304 0.000 0.770 167 L CB -1.356 40.546 42.059 -0.262 0.000 0.914 167 L HN 0.273 nan 8.230 nan 0.000 0.439 168 T N -0.311 114.174 114.554 -0.115 0.000 2.701 168 T HA -0.129 4.219 4.350 -0.003 0.000 0.263 168 T C 1.298 175.985 174.700 -0.022 0.000 1.040 168 T CA 1.723 63.793 62.100 -0.050 0.000 1.147 168 T CB -0.216 68.635 68.868 -0.030 0.000 0.865 168 T HN 0.365 nan 8.240 nan 0.000 0.426 169 D N 0.328 120.733 120.400 0.008 0.000 2.348 169 D HA 0.098 4.737 4.640 -0.003 0.000 0.211 169 D C 0.623 176.869 176.300 -0.089 0.000 0.998 169 D CA 0.069 54.067 54.000 -0.004 0.000 0.873 169 D CB -0.061 40.771 40.800 0.052 0.000 0.925 169 D HN 0.249 nan 8.370 nan 0.000 0.524 170 R N 0.476 120.846 120.500 -0.218 0.000 3.531 170 R HA -0.153 4.185 4.340 -0.003 0.000 0.280 170 R C -0.617 175.528 176.300 -0.258 0.000 1.130 170 R CA 0.664 56.562 56.100 -0.337 0.000 0.757 170 R CB -2.293 27.956 30.300 -0.086 0.000 1.218 170 R HN 0.413 nan 8.270 nan 0.000 0.454 171 E N 0.541 120.583 120.200 -0.264 0.000 2.299 171 E HA 0.360 4.708 4.350 -0.003 0.000 0.265 171 E C -0.163 176.327 176.600 -0.184 0.000 0.911 171 E CA -1.064 55.248 56.400 -0.146 0.000 0.789 171 E CB 1.278 30.924 29.700 -0.090 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.481 120.085 118.700 -0.160 0.000 2.445 172 N HA 0.183 4.922 4.740 -0.003 0.000 0.264 172 N C -0.366 175.004 175.510 -0.233 0.000 1.227 172 N CA -0.327 52.532 53.050 -0.319 0.000 0.963 172 N CB 0.975 38.999 38.487 -0.770 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.401 119.236 119.800 -0.272 0.000 2.495 173 Q HA 0.620 4.958 4.340 -0.003 0.000 0.283 173 Q C -1.054 174.916 176.000 -0.051 0.000 1.097 173 Q CA -0.680 55.074 55.803 -0.082 0.000 0.836 173 Q CB 1.864 30.608 28.738 0.010 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.644 115.081 115.700 0.043 0.000 2.565 174 S HA 0.803 5.271 4.470 -0.003 0.000 0.269 174 S C -1.405 173.244 174.600 0.083 0.000 1.153 174 S CA -0.729 57.532 58.200 0.100 0.000 0.835 174 S CB 0.785 64.066 63.200 0.135 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.402 122.045 120.570 0.121 0.000 2.512 175 I HA 0.395 4.564 4.170 -0.003 0.000 0.287 175 I C -1.667 174.522 176.117 0.119 0.000 1.069 175 I CA -0.487 60.877 61.300 0.108 0.000 1.056 175 I CB 1.852 39.939 38.000 0.146 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.797 129.067 121.223 0.079 0.000 2.277 176 L HA 0.515 4.854 4.340 -0.003 0.000 0.284 176 L C -0.401 176.579 176.870 0.182 0.000 1.028 176 L CA -0.044 54.884 54.840 0.147 0.000 0.835 176 L CB 0.723 42.881 42.059 0.165 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.361 123.023 120.570 0.154 0.000 2.353 177 I HA 0.585 4.754 4.170 -0.003 0.000 0.293 177 I C 0.418 176.601 176.117 0.109 0.000 0.992 177 I CA 0.301 61.676 61.300 0.124 0.000 1.268 177 I CB 1.633 39.696 38.000 0.104 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.472 118.074 114.554 0.081 0.000 3.012 178 T HA 0.768 5.117 4.350 -0.003 0.000 0.330 178 T C -0.647 174.068 174.700 0.024 0.000 1.321 178 T CA -0.647 61.490 62.100 0.061 0.000 1.067 178 T CB 1.800 70.711 68.868 0.072 0.000 1.235 178 T HN 0.944 nan 8.240 nan 0.000 0.479 179 G N 1.559 110.376 108.800 0.028 0.000 2.356 179 G HA2 0.505 4.463 3.960 -0.003 0.000 0.294 179 G HA3 0.505 4.463 3.960 -0.003 0.000 0.294 179 G C -1.558 173.359 174.900 0.028 0.000 1.423 179 G CA -0.869 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 0.209 120.424 120.200 0.025 0.000 2.391 180 E HA 0.286 4.635 4.350 -0.003 0.000 0.255 180 E C 1.203 177.833 176.600 0.051 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 0.847 116.588 115.700 0.068 0.000 2.414 181 S HA -0.217 4.252 4.470 -0.003 0.000 0.241 181 S C 1.590 176.226 174.600 0.059 0.000 1.079 181 S CA 1.975 60.212 58.200 0.063 0.000 1.087 181 S CB -0.477 62.766 63.200 0.071 0.000 0.927 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.969 107.871 108.800 0.067 0.000 3.126 182 G HA2 0.455 4.413 3.960 -0.003 0.000 0.224 182 G HA3 0.455 4.413 3.960 -0.003 0.000 0.224 182 G C 1.243 176.191 174.900 0.079 0.000 1.142 182 G CA 0.587 45.739 45.100 0.088 0.000 0.759 182 G HN 0.570 nan 8.290 nan 0.000 0.550 183 A N 0.334 123.179 122.820 0.041 0.000 2.070 183 A HA 0.381 4.699 4.320 -0.003 0.000 0.220 183 A C 1.932 179.516 177.584 -0.000 0.000 1.159 183 A CA 1.493 53.533 52.037 0.004 0.000 0.656 183 A CB -0.539 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 -0.563 108.256 108.800 0.031 0.000 2.452 184 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.275 184 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.275 184 G C 0.402 175.329 174.900 0.046 0.000 1.131 184 G CA 0.506 45.630 45.100 0.040 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.489 119.938 120.400 0.045 0.000 2.067 185 K HA 0.017 4.335 4.320 -0.003 0.000 0.203 185 K C 2.560 179.198 176.600 0.062 0.000 1.048 185 K CA 1.481 57.799 56.287 0.052 0.000 0.954 185 K CB -0.450 32.078 32.500 0.047 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.157 116.744 114.554 0.054 0.000 2.649 186 T HA -0.194 4.154 4.350 -0.003 0.000 0.268 186 T C 2.202 176.956 174.700 0.091 0.000 1.036 186 T CA 2.024 64.162 62.100 0.064 0.000 1.157 186 T CB -0.901 68.002 68.868 0.058 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.690 122.659 119.914 0.093 0.000 2.282 187 V HA -0.262 3.857 4.120 -0.003 0.000 0.249 187 V C 2.492 178.671 176.094 0.141 0.000 1.057 187 V CA 1.903 64.271 62.300 0.114 0.000 1.032 187 V CB -0.816 31.066 31.823 0.099 0.000 0.645 187 V HN 0.446 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 4.672 4.740 -0.003 0.000 0.188 188 N C 1.189 176.732 175.510 0.055 0.000 1.029 188 N CA 1.408 54.507 53.050 0.083 0.000 0.848 188 N CB -0.608 37.911 38.487 0.053 0.000 1.007 188 N HN 0.573 nan 8.380 nan 0.000 0.423 192 V N 1.740 121.651 119.914 -0.004 0.000 2.379 192 V HA -0.172 3.947 4.120 -0.003 0.000 0.245 192 V C 2.135 178.319 176.094 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 31.501 31.823 0.023 0.000 0.664 192 V HN 0.249 nan 8.190 nan 0.000 0.453 193 I N 0.123 120.824 120.570 0.218 0.000 2.163 193 I HA -0.284 3.884 4.170 -0.003 0.000 0.243 193 I C 2.779 179.049 176.117 0.254 0.000 1.085 193 I CA 1.669 63.142 61.300 0.288 0.000 1.347 193 I CB -0.935 37.190 38.000 0.209 0.000 1.044 193 I HN 0.440 nan 8.210 nan 0.000 0.408 194 Q N 0.087 120.007 119.800 0.200 0.000 2.077 194 Q HA -0.288 4.050 4.340 -0.003 0.000 0.206 194 Q C 2.213 178.303 176.000 0.150 0.000 0.989 194 Q CA 2.012 57.919 55.803 0.173 0.000 0.853 194 Q CB -0.939 27.911 28.738 0.186 0.000 0.907 194 Q HN 0.524 nan 8.270 nan 0.000 0.418 195 Y N 0.823 121.142 120.300 0.032 0.000 2.069 195 Y HA -0.304 4.244 4.550 -0.003 0.000 0.278 195 Y C 2.058 177.839 175.900 -0.198 0.000 1.175 195 Y CA 1.702 59.744 58.100 -0.097 0.000 1.134 195 Y CB -0.526 37.814 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 0.195 0.000 2.069 196 F HA -0.216 4.309 4.527 -0.003 0.000 0.298 196 F C 2.633 178.468 175.800 0.057 0.000 1.113 196 F CA 1.438 59.521 58.000 0.139 0.000 1.214 196 F CB -1.432 37.799 39.000 0.386 0.000 0.978 196 F HN 0.126 nan 8.300 nan 0.000 0.474 197 A N 0.115 123.080 122.820 0.243 0.000 1.883 197 A HA -0.238 4.080 4.320 -0.003 0.000 0.217 197 A C 2.270 179.875 177.584 0.036 0.000 1.186 197 A CA 2.766 54.886 52.037 0.139 0.000 0.624 197 A CB -1.480 17.585 19.000 0.108 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.718 115.241 114.554 -0.052 0.000 2.569 198 T HA -0.188 4.160 4.350 -0.003 0.000 0.263 198 T C 1.823 176.410 174.700 -0.188 0.000 1.074 198 T CA 1.434 63.459 62.100 -0.125 0.000 1.176 198 T CB -0.973 67.787 68.868 -0.179 0.000 0.863 198 T HN 0.811 nan 8.240 nan 0.000 0.410 199 I N 0.228 120.570 120.570 -0.379 0.000 3.233 199 I HA 0.283 4.452 4.170 -0.003 0.000 0.287 199 I C 0.882 176.837 176.117 -0.269 0.000 1.329 199 I CA 0.905 61.960 61.300 -0.408 0.000 1.385 199 I CB -0.836 36.750 38.000 -0.689 0.000 1.053 199 I HN 0.347 nan 8.210 nan 0.000 0.525 200 A N 0.315 123.072 122.820 -0.106 0.000 3.318 200 A HA 0.754 5.073 4.320 -0.003 0.000 0.209 200 A C 0.154 177.824 177.584 0.144 0.000 1.102 200 A CA 0.059 52.124 52.037 0.047 0.000 1.128 200 A CB -0.621 18.428 19.000 0.081 0.000 1.310 200 A HN 0.498 nan 8.150 nan 0.000 0.726 201 A N 0.202 123.067 122.820 0.075 0.000 3.804 201 A HA 0.937 5.255 4.320 -0.003 0.000 0.174 201 A C 0.864 178.484 177.584 0.060 0.000 1.510 201 A CA 0.452 52.534 52.037 0.074 0.000 1.542 201 A CB -0.225 18.801 19.000 0.043 0.000 1.611 201 A HN 2.183 nan 8.150 nan 0.000 0.626 202 S N -2.369 113.355 115.700 0.039 0.000 3.956 202 S HA 0.043 4.511 4.470 -0.003 0.000 0.685 202 S C 0.452 175.071 174.600 0.033 0.000 0.569 202 S CA 0.941 59.161 58.200 0.034 0.000 1.348 202 S CB -1.692 61.535 63.200 0.044 0.000 0.726 202 S HN 2.286 nan 8.310 nan 0.000 0.895 203 G N 1.145 109.959 108.800 0.024 0.000 3.042 203 G HA2 0.468 4.426 3.960 -0.003 0.000 0.212 203 G HA3 0.468 4.426 3.960 -0.003 0.000 0.212 203 G C 0.720 175.629 174.900 0.014 0.000 1.166 203 G CA 0.665 45.776 45.100 0.018 0.000 0.767 203 G HN 1.040 nan 8.290 nan 0.000 0.546 204 E N -0.556 119.653 120.200 0.015 0.000 4.277 204 E HA -0.372 3.976 4.350 -0.003 0.000 0.189 204 E C 1.767 178.372 176.600 0.009 0.000 1.264 204 E CA 2.002 58.409 56.400 0.012 0.000 2.321 204 E CB -0.955 28.752 29.700 0.012 0.000 1.841 204 E HN 0.444 nan 8.360 nan 0.000 0.373 205 K N 1.023 121.428 120.400 0.007 0.000 2.116 205 K HA 0.007 4.326 4.320 -0.003 0.000 0.203 205 K C 1.862 178.466 176.600 0.006 0.000 1.052 205 K CA 1.150 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 1.052 121.456 120.400 0.006 0.000 2.439 206 K HA -0.037 4.281 4.320 -0.003 0.000 0.197 206 K C 1.526 178.131 176.600 0.009 0.000 1.041 206 K CA 0.695 56.986 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 1.225 121.631 120.400 0.009 0.000 2.288 207 K HA -0.040 4.278 4.320 -0.003 0.000 0.201 207 K C 0.219 176.825 176.600 0.009 0.000 1.048 207 K CA 0.611 56.904 56.287 0.010 0.000 0.956 207 K CB 0.089 32.594 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 4.326 4.350 -0.003 0.000 0.261 208 E C -0.542 176.063 176.600 0.009 0.000 1.074 208 E CA 0.042 56.446 56.400 0.008 0.000 0.917 208 E CB 0.498 30.203 29.700 0.007 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.122 122.327 120.200 0.009 0.000 2.148 209 E HA -0.011 4.337 4.350 -0.003 0.000 0.308 209 E C -0.704 175.901 176.600 0.009 0.000 1.278 209 E CA 0.180 56.586 56.400 0.010 0.000 1.368 209 E CB -0.052 29.654 29.700 0.009 0.000 1.229 209 E HN 0.255 nan 8.360 nan 0.000 0.494 210 Q N 0.664 120.470 119.800 0.010 0.000 3.147 210 Q HA 0.092 4.431 4.340 -0.003 0.000 0.224 210 Q C -0.467 175.539 176.000 0.010 0.000 0.901 210 Q CA -0.420 55.389 55.803 0.009 0.000 0.729 210 Q CB 1.493 30.236 28.738 0.008 0.000 1.363 210 Q HN 0.503 nan 8.270 nan 0.000 0.467 211 S N -1.288 114.419 115.700 0.012 0.000 3.635 211 S HA -0.192 4.276 4.470 -0.003 0.000 0.328 211 S C 0.495 175.104 174.600 0.015 0.000 1.135 211 S CA 0.361 58.569 58.200 0.014 0.000 0.942 211 S CB -2.227 60.980 63.200 0.013 0.000 0.930 211 S HN 0.844 nan 8.310 nan 0.000 0.512 212 G N 0.812 109.621 108.800 0.015 0.000 2.225 212 G HA2 0.364 4.322 3.960 -0.003 0.000 0.245 212 G HA3 0.364 4.322 3.960 -0.003 0.000 0.245 212 G C 0.687 175.599 174.900 0.020 0.000 1.249 212 G CA 0.266 45.376 45.100 0.016 0.000 0.919 212 G HN 0.938 nan 8.290 nan 0.000 0.486 213 K N -0.083 120.329 120.400 0.021 0.000 3.548 213 K HA -0.148 4.170 4.320 -0.003 0.000 0.296 213 K C 0.901 177.516 176.600 0.025 0.000 1.324 213 K CA 0.874 57.176 56.287 0.025 0.000 0.976 213 K CB -1.108 31.411 32.500 0.031 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.554 121.167 119.600 0.021 0.000 2.157 214 M HA 0.109 4.587 4.480 -0.003 0.000 0.304 214 M C 0.801 177.111 176.300 0.018 0.000 1.171 214 M CA 0.531 55.844 55.300 0.022 0.000 1.157 214 M CB 0.041 32.653 32.600 0.020 0.000 1.403 214 M HN 0.041 nan 8.290 nan 0.000 0.473 215 Q N 0.030 119.842 119.800 0.019 0.000 2.315 215 Q HA 0.291 4.630 4.340 -0.003 0.000 0.289 215 Q C 0.838 176.841 176.000 0.004 0.000 1.044 215 Q CA 0.991 56.801 55.803 0.012 0.000 0.920 215 Q CB 0.159 28.909 28.738 0.020 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.812 110.608 108.800 -0.006 0.000 2.367 216 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.181 216 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.181 216 G C 0.016 174.909 174.900 -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 1.888 116.438 114.554 -0.007 0.000 2.909 217 T HA 0.649 4.997 4.350 -0.003 0.000 0.299 217 T C -0.967 173.728 174.700 -0.009 0.000 1.073 217 T CA -0.500 61.595 62.100 -0.008 0.000 0.999 217 T CB 2.447 71.316 68.868 0.001 0.000 1.098 217 T HN 1.011 nan 8.240 nan 0.000 0.477 218 L N 1.557 122.771 121.223 -0.015 0.000 2.296 218 L HA 0.806 5.144 4.340 -0.003 0.000 0.286 218 L C 0.127 176.995 176.870 -0.003 0.000 1.023 218 L CA -0.274 54.556 54.840 -0.017 0.000 0.812 218 L CB 0.648 42.684 42.059 -0.039 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.355 121.560 120.200 0.007 0.000 3.026 219 E HA -0.135 4.213 4.350 -0.003 0.000 0.271 219 E C 0.303 176.922 176.600 0.031 0.000 0.499 219 E CA 0.785 57.199 56.400 0.025 0.000 1.976 219 E CB -0.563 29.153 29.700 0.027 0.000 2.815 219 E HN 0.792 nan 8.360 nan 0.000 0.619 220 D N 0.510 120.922 120.400 0.021 0.000 2.414 220 D HA -0.015 4.623 4.640 -0.003 0.000 0.237 220 D C 1.773 178.085 176.300 0.021 0.000 0.975 220 D CA 0.990 55.005 54.000 0.025 0.000 0.917 220 D CB -0.206 40.606 40.800 0.020 0.000 1.061 220 D HN 0.238 nan 8.370 nan 0.000 0.480 221 Q N 0.986 120.788 119.800 0.004 0.000 2.077 221 Q HA -0.159 4.179 4.340 -0.003 0.000 0.206 221 Q C 2.324 178.322 176.000 -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 -0.037 0.000 0.907 221 Q HN 0.266 nan 8.270 nan 0.000 0.418 222 I N 1.284 121.852 120.570 -0.003 0.000 2.113 222 I HA -0.300 3.868 4.170 -0.003 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 -0.852 37.157 38.000 0.014 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N -0.000 120.598 120.570 0.046 0.000 2.162 223 I HA -0.220 3.948 4.170 -0.003 0.000 0.238 223 I C 2.551 178.707 176.117 0.065 0.000 1.076 223 I CA 1.079 62.419 61.300 0.066 0.000 1.353 223 I CB -0.706 37.336 38.000 0.070 0.000 1.063 223 I HN 0.134 nan 8.210 nan 0.000 0.408 224 S N 1.066 116.797 115.700 0.053 0.000 2.441 224 S HA -0.237 4.231 4.470 -0.003 0.000 0.242 224 S C 2.145 176.781 174.600 0.060 0.000 1.018 224 S CA 1.271 59.504 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 3.224 126.074 122.820 0.050 0.000 1.859 225 A HA -0.261 4.057 4.320 -0.003 0.000 0.217 225 A C 1.955 179.588 177.584 0.082 0.000 1.198 225 A CA 1.908 53.972 52.037 0.045 0.000 0.629 225 A CB -0.927 18.088 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 4.564 4.740 -0.003 0.000 0.200 226 N C -0.922 174.691 175.510 0.172 0.000 1.042 226 N CA 2.049 55.192 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 1.551 178.935 177.300 0.140 0.000 1.145 227 P CA 0.672 63.853 63.100 0.135 0.000 0.769 227 P CB -0.002 31.758 31.700 0.100 0.000 0.769 228 L N -1.324 119.987 121.223 0.146 0.000 2.185 228 L HA 0.067 4.406 4.340 -0.003 0.000 0.198 228 L C 2.100 179.150 176.870 0.300 0.000 1.079 228 L CA 1.292 56.236 54.840 0.173 0.000 0.780 228 L CB -1.442 40.667 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 0.226 0.000 2.051 229 L HA -0.256 4.082 4.340 -0.003 0.000 0.214 229 L C 2.593 179.759 176.870 0.494 0.000 1.076 229 L CA 1.768 56.788 54.840 0.299 0.000 0.758 229 L CB -1.247 40.975 42.059 0.271 0.000 0.890 229 L HN 0.437 nan 8.230 nan 0.000 0.433 230 E N -1.104 119.344 120.200 0.413 0.000 2.153 230 E HA -0.179 4.169 4.350 -0.003 0.000 0.194 230 E C 2.167 178.979 176.600 0.353 0.000 0.988 230 E CA 1.099 57.740 56.400 0.402 0.000 0.811 230 E CB -0.117 29.773 29.700 0.316 0.000 0.746 230 E HN 0.525 nan 8.360 nan 0.000 0.466 231 A N 0.269 123.227 122.820 0.229 0.000 2.015 231 A HA -0.103 4.216 4.320 -0.003 0.000 0.219 231 A C 1.656 179.125 177.584 -0.190 0.000 1.163 231 A CA 1.024 53.065 52.037 0.006 0.000 0.646 231 A CB -0.332 18.500 19.000 -0.280 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.240 118.797 119.950 0.144 0.000 2.559 232 F HA 0.252 4.778 4.527 -0.002 0.000 0.286 232 F C 2.258 178.008 175.800 -0.084 0.000 1.108 232 F CA 0.727 58.760 58.000 0.055 0.000 1.436 232 F CB -0.045 38.977 39.000 0.035 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.755 108.265 108.800 0.366 0.000 3.393 233 G HA2 0.159 4.118 3.960 -0.003 0.000 0.255 233 G HA3 0.159 4.118 3.960 -0.003 0.000 0.255 233 G C -0.295 175.068 174.900 0.772 0.000 1.097 233 G CA -0.037 45.294 45.100 0.385 0.000 0.780 233 G HN 0.071 nan 8.290 nan 0.000 0.540 234 N N -0.225 118.789 118.700 0.523 0.000 2.265 234 N HA 0.825 5.563 4.740 -0.003 0.000 0.300 234 N C -0.324 174.979 175.510 -0.345 0.000 1.148 234 N CA -0.005 53.141 53.050 0.161 0.000 0.772 234 N CB 2.325 40.925 38.487 0.189 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.088 120.979 119.914 -0.039 0.000 2.913 238 V HA -0.040 4.078 4.120 -0.003 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 -0.498 31.300 31.823 -0.042 0.000 0.714 238 V HN 0.666 nan 8.190 nan 0.000 0.487 239 R N -0.523 119.976 120.500 -0.003 0.000 2.087 239 R HA 0.163 4.501 4.340 -0.003 0.000 0.213 239 R C 0.900 177.219 176.300 0.031 0.000 1.137 239 R CA 0.367 56.477 56.100 0.017 0.000 1.022 239 R CB -0.073 30.250 30.300 0.039 0.000 0.920 239 R HN 0.428 nan 8.270 nan 0.000 0.451 240 N N 0.067 118.789 118.700 0.037 0.000 2.483 240 N HA 0.050 4.788 4.740 -0.003 0.000 0.285 240 N C -0.398 175.136 175.510 0.040 0.000 1.210 240 N CA -0.112 52.970 53.050 0.054 0.000 0.931 240 N CB 1.601 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 -0.593 119.840 120.400 0.054 0.000 2.423 241 D HA 0.118 4.757 4.640 -0.003 0.000 0.208 241 D C -0.395 175.974 176.300 0.115 0.000 1.068 241 D CA 0.527 54.558 54.000 0.052 0.000 0.860 241 D CB 0.191 41.006 40.800 0.025 0.000 0.992 241 D HN 0.406 nan 8.370 nan 0.000 0.504 242 N N -0.054 118.724 118.700 0.130 0.000 2.703 242 N HA 0.102 4.840 4.740 -0.003 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 0.209 0.000 0.826 242 N CB 0.656 39.257 38.487 0.190 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.211 115.542 115.700 0.089 0.000 2.565 243 S HA 0.268 4.736 4.470 -0.003 0.000 0.276 243 S C 0.109 174.729 174.600 0.033 0.000 1.326 243 S CA -0.194 58.034 58.200 0.047 0.000 1.045 243 S CB 0.489 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 -0.011 0.000 2.430 244 S HA 0.207 4.675 4.470 -0.003 0.000 0.282 244 S C 0.935 175.493 174.600 -0.070 0.000 1.186 244 S CA -0.489 57.638 58.200 -0.122 0.000 1.060 244 S CB 0.014 63.069 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 0.092 0.000 2.480 245 R HA 0.199 4.537 4.340 -0.003 0.000 0.277 245 R C -0.430 176.059 176.300 0.316 0.000 1.008 245 R CA 0.104 56.323 56.100 0.197 0.000 1.090 245 R CB -0.565 29.856 30.300 0.202 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.766 116.259 119.950 0.125 0.000 2.741 246 F HA 0.709 5.234 4.527 -0.003 0.000 0.313 246 F C -0.248 175.664 175.800 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 39.588 39.000 0.098 0.000 1.335 246 F HN -0.135 nan 8.300 nan 0.000 0.460 250 I N 5.513 125.924 120.570 -0.265 0.000 2.359 250 I HA 0.540 4.708 4.170 -0.003 0.000 0.294 250 I C -0.242 175.562 176.117 -0.523 0.000 0.987 250 I CA -0.729 60.389 61.300 -0.303 0.000 1.225 250 I CB 1.784 39.721 38.000 -0.106 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.991 126.229 120.500 -0.437 0.000 2.275 251 R HA 0.530 4.869 4.340 -0.003 0.000 0.326 251 R C -1.031 175.079 176.300 -0.317 0.000 0.973 251 R CA -0.483 55.325 56.100 -0.487 0.000 0.854 251 R CB 1.001 30.872 30.300 -0.716 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.470 123.880 120.570 -0.265 0.000 2.322 252 I HA 0.110 4.279 4.170 -0.003 0.000 0.292 252 I C -0.048 175.800 176.117 -0.448 0.000 1.060 252 I CA -0.376 60.703 61.300 -0.367 0.000 1.309 252 I CB 0.533 38.246 38.000 -0.478 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.470 125.349 119.070 -0.318 0.000 2.846 253 H HA 0.318 4.872 4.556 -0.003 0.000 0.278 253 H C -0.550 174.623 175.328 -0.258 0.000 1.117 253 H CA -0.083 55.882 56.048 -0.138 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 1.013 121.068 119.950 0.176 0.000 2.380 254 F HA 0.320 4.846 4.527 -0.003 0.000 0.325 254 F C 1.601 177.455 175.800 0.090 0.000 1.136 254 F CA 0.034 58.129 58.000 0.159 0.000 1.171 254 F CB 0.801 39.931 39.000 0.218 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.243 109.201 108.800 0.264 0.000 2.494 255 G HA2 0.414 4.372 3.960 -0.003 0.000 0.270 255 G HA3 0.414 4.372 3.960 -0.003 0.000 0.270 255 G C 0.697 175.606 174.900 0.016 0.000 1.423 255 G CA -0.052 45.106 45.100 0.097 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.448 121.362 122.820 -0.018 0.000 1.903 256 A HA 0.082 4.401 4.320 -0.003 0.000 0.213 256 A C 2.552 180.175 177.584 0.065 0.000 1.185 256 A CA 2.343 54.358 52.037 -0.036 0.000 0.628 256 A CB -1.135 17.848 19.000 -0.029 0.000 0.830 256 A HN 0.834 nan 8.150 nan 0.000 0.446 257 T N -3.139 111.458 114.554 0.073 0.000 2.622 257 T HA 0.232 4.580 4.350 -0.003 0.000 0.266 257 T C 1.525 176.294 174.700 0.116 0.000 1.047 257 T CA 2.050 64.202 62.100 0.087 0.000 1.159 257 T CB -0.596 68.323 68.868 0.086 0.000 0.863 257 T HN 1.522 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 3.978 3.960 -0.003 0.000 0.216 258 G HA3 0.020 3.978 3.960 -0.003 0.000 0.216 258 G C -0.176 174.944 174.900 0.367 0.000 0.973 258 G CA -0.588 44.634 45.100 0.203 0.000 0.807 258 G HN 0.500 nan 8.290 nan 0.000 0.573 259 K N 0.983 121.562 120.400 0.300 0.000 2.110 259 K HA 0.534 4.852 4.320 -0.003 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 1.930 34.537 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 -0.246 4.092 4.340 -0.003 0.000 0.300 260 L C 1.060 177.949 176.870 0.032 0.000 1.259 260 L CA 0.551 55.456 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 1.743 124.533 122.820 -0.051 0.000 1.895 261 A HA 0.385 4.703 4.320 -0.003 0.000 0.198 261 A C 0.354 177.896 177.584 -0.070 0.000 1.709 261 A CA 0.287 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 -1.947 113.704 115.700 -0.081 0.000 2.615 262 S HA 0.760 5.229 4.470 -0.003 0.000 0.269 262 S C -0.619 173.957 174.600 -0.040 0.000 1.161 262 S CA -0.092 58.055 58.200 -0.088 0.000 0.817 262 S CB 1.548 64.639 63.200 -0.180 0.000 1.131 262 S HN 1.479 nan 8.310 nan 0.000 0.467 263 A N 0.479 123.272 122.820 -0.045 0.000 2.532 263 A HA 0.888 5.206 4.320 -0.003 0.000 0.290 263 A C -1.927 175.629 177.584 -0.047 0.000 1.143 263 A CA -0.478 51.536 52.037 -0.038 0.000 0.728 263 A CB 1.693 20.645 19.000 -0.081 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.118 121.471 120.400 -0.078 0.000 2.354 264 D HA 0.351 4.989 4.640 -0.003 0.000 0.230 264 D C -1.246 174.985 176.300 -0.116 0.000 1.361 264 D CA -0.021 53.919 54.000 -0.100 0.000 0.992 264 D CB 0.849 41.593 40.800 -0.094 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.454 121.966 120.570 -0.097 0.000 2.566 265 I HA 0.414 4.582 4.170 -0.003 0.000 0.303 265 I C 0.276 176.354 176.117 -0.064 0.000 0.983 265 I CA -0.534 60.727 61.300 -0.066 0.000 1.235 265 I CB 1.809 39.771 38.000 -0.064 0.000 1.386 265 I HN 0.212 nan 8.210 nan 0.000 0.494 266 E N 2.190 122.374 120.200 -0.026 0.000 2.304 266 E HA 0.406 4.754 4.350 -0.003 0.000 0.277 266 E C -1.575 174.878 176.600 -0.245 0.000 0.898 266 E CA -0.495 55.824 56.400 -0.136 0.000 0.764 266 E CB 2.152 31.784 29.700 -0.113 0.000 1.216 266 E HN 0.545 nan 8.360 nan 0.000 0.419 267 T N 2.714 117.082 114.554 -0.310 0.000 2.855 267 T HA 0.536 4.884 4.350 -0.003 0.000 0.281 267 T C -1.409 173.099 174.700 -0.320 0.000 1.007 267 T CA -0.346 61.671 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 0.878 121.358 120.300 0.300 0.000 2.442 268 Y HA 0.525 5.074 4.550 -0.003 0.000 0.344 268 Y C 0.011 176.040 175.900 0.214 0.000 0.976 268 Y CA -1.722 56.524 58.100 0.243 0.000 1.040 268 Y CB 1.062 39.670 38.460 0.248 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.038 124.424 121.223 0.272 0.000 3.642 269 L HA -0.250 4.088 4.340 -0.003 0.000 0.613 269 L C -0.808 176.146 176.870 0.140 0.000 1.064 269 L CA 0.228 55.142 54.840 0.123 0.000 1.039 269 L CB -0.780 41.311 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 4.721 4.340 -0.003 0.000 0.275 270 L C 0.878 177.784 176.870 0.061 0.000 1.099 270 L CA 0.376 55.243 54.840 0.045 0.000 0.808 270 L CB 1.241 43.188 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 4.317 4.340 -0.003 0.000 0.238 274 R C 1.863 178.144 176.300 -0.032 0.000 1.136 274 R CA 1.786 57.864 56.100 -0.036 0.000 0.959 274 R CB -0.830 29.274 30.300 -0.326 0.000 0.856 274 R HN 0.331 nan 8.270 nan 0.000 0.437 275 V N 0.315 120.236 119.914 0.012 0.000 2.527 275 V HA -0.259 3.859 4.120 -0.003 0.000 0.255 275 V C 1.751 177.666 176.094 -0.299 0.000 1.081 275 V CA 2.175 64.390 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 -2.540 111.837 114.554 -0.295 0.000 2.958 276 T HA 0.324 4.672 4.350 -0.003 0.000 0.256 276 T C -0.185 174.406 174.700 -0.182 0.000 0.983 276 T CA 0.003 61.794 62.100 -0.515 0.000 0.924 276 T CB 0.356 68.961 68.868 -0.439 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.050 121.848 119.950 -0.254 0.000 2.692 277 F HA 0.630 5.156 4.527 -0.003 0.000 0.320 277 F C -1.860 173.848 175.800 -0.154 0.000 1.123 277 F CA -0.894 56.996 58.000 -0.184 0.000 0.961 277 F CB 1.602 40.519 39.000 -0.139 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.508 122.728 119.800 -0.966 0.000 2.518 278 Q HA 0.324 4.662 4.340 -0.003 0.000 0.254 278 Q C -2.165 173.229 176.000 -1.009 0.000 0.962 278 Q CA -0.783 54.568 55.803 -0.752 0.000 0.982 278 Q CB 1.666 30.186 28.738 -0.363 0.000 1.516 278 Q HN 0.787 nan 8.270 nan 0.000 0.426 279 L N 2.583 123.442 121.223 -0.606 0.000 2.472 279 L HA 0.196 4.534 4.340 -0.003 0.000 0.260 279 L C -1.198 175.504 176.870 -0.280 0.000 1.209 279 L CA -1.549 53.053 54.840 -0.396 0.000 0.817 279 L CB 0.239 42.192 42.059 -0.177 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.151 nan 4.420 nan 0.000 0.218 280 P C 0.512 177.750 177.300 -0.104 0.000 1.148 280 P CA 1.249 64.272 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 -1.384 121.376 122.820 -0.101 0.000 2.348 281 A HA 0.108 4.427 4.320 -0.003 0.000 0.224 281 A C 0.871 178.396 177.584 -0.099 0.000 1.227 281 A CA -0.005 51.980 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 5.020 4.350 -0.003 0.000 0.246 282 E C -0.317 176.192 176.600 -0.152 0.000 0.969 282 E CA -1.009 55.312 56.400 -0.133 0.000 0.881 282 E CB 0.987 30.602 29.700 -0.141 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 4.794 4.340 -0.003 0.000 0.272 283 R C -0.833 175.430 176.300 -0.062 0.000 1.029 283 R CA -0.673 55.361 56.100 -0.110 0.000 0.888 283 R CB 1.609 31.785 30.300 -0.206 0.000 1.251 283 R HN 0.437 nan 8.270 nan 0.000 0.464 284 S N -0.293 115.478 115.700 0.118 0.000 2.640 284 S HA 0.298 4.767 4.470 -0.003 0.000 0.262 284 S C -0.413 174.250 174.600 0.104 0.000 1.232 284 S CA -0.552 57.666 58.200 0.030 0.000 0.988 284 S CB 0.053 63.297 63.200 0.073 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.433 121.848 120.300 0.191 0.000 2.812 285 Y HA -0.024 4.524 4.550 -0.003 0.000 0.348 285 Y C 2.008 177.994 175.900 0.144 0.000 1.274 285 Y CA 0.710 58.843 58.100 0.054 0.000 1.489 285 Y CB 0.187 38.683 38.460 0.061 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.385 120.627 119.070 0.286 0.000 2.326 286 H HA -0.151 4.403 4.556 -0.003 0.000 0.301 286 H C 2.356 177.731 175.328 0.079 0.000 1.081 286 H CA 1.671 57.855 56.048 0.226 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 0.779 121.301 120.570 -0.079 0.000 2.161 287 I HA -0.404 3.764 4.170 -0.003 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 -0.291 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 -0.210 119.648 119.950 -0.153 0.000 2.069 288 F HA -0.235 4.290 4.527 -0.003 0.000 0.298 288 F C 2.218 177.806 175.800 -0.353 0.000 1.113 288 F CA 1.900 59.697 58.000 -0.339 0.000 1.214 288 F CB -1.320 37.315 39.000 -0.608 0.000 0.978 288 F HN 0.110 nan 8.300 nan 0.000 0.474 289 Y N -0.582 119.833 120.300 0.192 0.000 2.373 289 Y HA -0.126 4.423 4.550 -0.003 0.000 0.293 289 Y C 2.454 178.383 175.900 0.047 0.000 1.129 289 Y CA 0.776 58.932 58.100 0.093 0.000 1.226 289 Y CB -1.072 37.438 38.460 0.082 0.000 1.000 289 Y HN 0.115 nan 8.280 nan 0.000 0.549 290 Q N 0.506 120.399 119.800 0.155 0.000 1.967 290 Q HA -0.174 4.164 4.340 -0.003 0.000 0.202 290 Q C 2.260 178.288 176.000 0.046 0.000 0.985 290 Q CA 2.024 57.874 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 3.823 4.170 -0.003 0.000 0.246 291 I C 2.060 178.169 176.117 -0.014 0.000 1.088 291 I CA 1.428 62.726 61.300 -0.003 0.000 1.347 291 I CB -0.224 37.775 38.000 -0.002 0.000 1.041 291 I HN 0.431 nan 8.210 nan 0.000 0.415 292 M N 0.026 119.626 119.600 -0.000 0.000 2.659 292 M HA -0.063 4.415 4.480 -0.003 0.000 0.243 292 M C 2.214 178.537 176.300 0.037 0.000 1.111 292 M CA 0.733 56.036 55.300 0.006 0.000 1.070 292 M CB -0.226 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 0.295 116.020 115.700 0.042 0.000 2.402 293 S HA -0.075 4.394 4.470 -0.003 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 62.857 63.200 0.039 0.000 0.800 293 S HN 0.705 nan 8.310 nan 0.000 0.484 298 E N 1.156 121.334 120.200 -0.037 0.000 2.097 298 E HA -0.150 4.198 4.350 -0.003 0.000 0.196 298 E C 1.775 178.347 176.600 -0.046 0.000 1.000 298 E CA 1.292 57.673 56.400 -0.032 0.000 0.804 298 E CB -0.634 29.044 29.700 -0.036 0.000 0.740 298 E HN 0.139 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 -0.214 4.124 4.340 -0.003 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 -0.607 41.280 42.059 -0.287 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.625 119.920 120.570 -0.042 0.000 2.208 300 I HA -0.304 3.864 4.170 -0.003 0.000 0.245 300 I C 2.068 178.209 176.117 0.041 0.000 1.097 300 I CA 1.569 62.869 61.300 0.000 0.000 1.363 300 I CB -0.386 37.618 38.000 0.007 0.000 1.051 300 I HN 0.341 nan 8.210 nan 0.000 0.413 301 D N -0.542 119.879 120.400 0.035 0.000 2.213 301 D HA -0.111 4.527 4.640 -0.003 0.000 0.205 301 D C 2.118 178.463 176.300 0.074 0.000 0.961 301 D CA 0.913 54.945 54.000 0.053 0.000 0.853 301 D CB -0.062 40.760 40.800 0.036 0.000 0.967 301 D HN 0.364 nan 8.370 nan 0.000 0.496 302 M N 0.354 119.989 119.600 0.058 0.000 2.132 302 M HA -0.148 4.330 4.480 -0.003 0.000 0.263 302 M C 1.332 177.713 176.300 0.134 0.000 1.065 302 M CA 1.309 56.660 55.300 0.084 0.000 1.122 302 M CB 0.178 32.796 32.600 0.031 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.256 121.548 121.223 0.116 0.000 2.446 303 L HA 0.241 4.579 4.340 -0.003 0.000 0.219 303 L C 0.687 177.721 176.870 0.272 0.000 1.116 303 L CA 0.814 55.757 54.840 0.171 0.000 0.844 303 L CB -0.385 41.739 42.059 0.109 0.000 0.970 303 L HN 0.469 nan 8.230 nan 0.000 0.457 304 L N -0.523 120.830 121.223 0.217 0.000 3.487 304 L HA -0.206 4.132 4.340 -0.003 0.000 0.450 304 L C -0.264 176.810 176.870 0.340 0.000 1.290 304 L CA 0.097 55.084 54.840 0.246 0.000 0.874 304 L CB -2.039 40.152 42.059 0.220 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.528 116.178 120.570 0.227 0.000 3.445 305 I HA 0.879 5.047 4.170 -0.003 0.000 0.303 305 I C 0.823 177.064 176.117 0.207 0.000 1.129 305 I CA -0.447 61.003 61.300 0.250 0.000 0.989 305 I CB 1.782 39.769 38.000 -0.022 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.345 112.379 114.554 0.284 0.000 2.876 306 T HA 0.389 4.737 4.350 -0.003 0.000 0.277 306 T C 0.730 175.515 174.700 0.141 0.000 0.997 306 T CA 0.191 62.412 62.100 0.202 0.000 0.966 306 T CB 1.206 70.208 68.868 0.224 0.000 1.312 306 T HN 0.831 nan 8.240 nan 0.000 0.598 307 T N -2.666 111.962 114.554 0.123 0.000 3.001 307 T HA 0.208 4.556 4.350 -0.003 0.000 0.251 307 T C 0.568 175.339 174.700 0.119 0.000 1.040 307 T CA -0.296 61.858 62.100 0.091 0.000 0.985 307 T CB -0.309 68.601 68.868 0.070 0.000 1.011 307 T HN 0.533 nan 8.240 nan 0.000 0.509 308 N N 2.723 121.523 118.700 0.167 0.000 2.439 308 N HA 0.323 5.061 4.740 -0.003 0.000 0.249 308 N C -2.221 173.437 175.510 0.247 0.000 1.003 308 N CA -2.615 50.555 53.050 0.199 0.000 0.942 308 N CB 1.840 40.445 38.487 0.197 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 31.623 31.700 -0.058 0.000 0.794 310 Y N -0.420 119.965 120.300 0.142 0.000 2.584 310 Y HA -0.045 4.503 4.550 -0.003 0.000 0.317 310 Y C 1.450 177.354 175.900 0.007 0.000 1.208 310 Y CA 0.696 58.843 58.100 0.079 0.000 1.299 310 Y CB -0.829 37.661 38.460 0.049 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.655 118.787 120.400 0.070 0.000 2.369 311 D HA 0.028 4.666 4.640 -0.003 0.000 0.211 311 D C -0.756 175.026 176.300 -0.862 0.000 1.077 311 D CA 0.496 54.268 54.000 -0.381 0.000 0.842 311 D CB 0.157 40.648 40.800 -0.515 0.000 0.947 311 D HN 0.227 nan 8.370 nan 0.000 0.509 312 Y N -0.159 120.140 120.300 -0.003 0.000 2.705 312 Y HA 0.185 4.734 4.550 -0.003 0.000 0.355 312 Y C 1.101 176.997 175.900 -0.007 0.000 1.039 312 Y CA -1.017 57.051 58.100 -0.054 0.000 1.233 312 Y CB 0.189 38.561 38.460 -0.146 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.154 120.226 119.070 0.003 0.000 2.330 313 H HA -0.305 4.249 4.556 -0.003 0.000 0.290 313 H C 1.336 176.749 175.328 0.141 0.000 1.111 313 H CA 2.545 58.622 56.048 0.048 0.000 1.226 313 H CB -0.017 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 -0.342 119.845 120.300 -0.188 0.000 2.193 314 Y HA -0.143 4.406 4.550 -0.003 0.000 0.285 314 Y C 2.728 178.441 175.900 -0.312 0.000 1.166 314 Y CA 1.590 59.525 58.100 -0.276 0.000 1.181 314 Y CB -0.802 37.554 38.460 -0.173 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.163 117.673 119.914 -0.130 0.000 3.319 315 V HA 0.313 4.431 4.120 -0.003 0.000 0.317 315 V C 0.569 176.632 176.094 -0.053 0.000 1.411 315 V CA 0.671 62.840 62.300 -0.219 0.000 1.112 315 V CB -0.198 31.286 31.823 -0.565 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -2.045 113.615 115.700 -0.066 0.000 2.901 316 S HA 0.395 4.863 4.470 -0.003 0.000 0.248 316 S C 0.556 175.121 174.600 -0.059 0.000 1.021 316 S CA -0.140 57.999 58.200 -0.102 0.000 1.090 316 S CB 0.152 63.196 63.200 -0.260 0.000 1.039 316 S HN 0.545 nan 8.310 nan 0.000 0.514 317 E N 0.834 120.973 120.200 -0.103 0.000 2.299 317 E HA 0.150 4.498 4.350 -0.003 0.000 0.193 317 E C 1.464 177.988 176.600 -0.127 0.000 0.998 317 E CA 0.696 57.027 56.400 -0.115 0.000 0.851 317 E CB 0.154 29.707 29.700 -0.245 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.516 109.228 108.800 -0.147 0.000 3.198 318 G HA2 0.153 4.112 3.960 -0.003 0.000 0.203 318 G HA3 0.153 4.112 3.960 -0.003 0.000 0.203 318 G C 0.074 174.915 174.900 -0.099 0.000 1.950 318 G CA -0.352 44.661 45.100 -0.144 0.000 0.798 318 G HN -0.072 nan 8.290 nan 0.000 0.720 319 E N -0.783 119.336 120.200 -0.134 0.000 2.249 319 E HA 0.531 4.879 4.350 -0.003 0.000 0.263 319 E C 0.459 176.899 176.600 -0.266 0.000 0.950 319 E CA -0.587 55.723 56.400 -0.150 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 -0.387 120.013 120.570 -0.283 0.000 3.971 320 I HA 0.022 4.191 4.170 -0.003 0.000 0.303 320 I C 0.965 176.818 176.117 -0.440 0.000 1.233 320 I CA 0.514 61.567 61.300 -0.413 0.000 1.346 320 I CB 1.009 38.884 38.000 -0.209 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.124 115.535 114.554 -0.238 0.000 2.863 321 T HA 0.661 5.009 4.350 -0.003 0.000 0.285 321 T C -1.117 173.497 174.700 -0.142 0.000 1.009 321 T CA -0.479 61.518 62.100 -0.171 0.000 0.989 321 T CB 1.540 70.360 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 4.461 4.120 -0.003 0.000 0.297 322 V C -1.625 174.427 176.094 -0.069 0.000 1.027 322 V CA -1.669 60.575 62.300 -0.093 0.000 0.855 322 V CB 1.782 33.548 31.823 -0.095 0.000 0.995 322 V HN 0.719 nan 8.190 nan 0.000 0.424 323 P HA -0.155 nan 4.420 nan 0.000 0.215 323 P C 1.645 178.921 177.300 -0.039 0.000 1.153 323 P CA 1.699 64.775 63.100 -0.041 0.000 0.853 323 P CB 0.165 31.844 31.700 -0.035 0.000 0.788 324 S N -1.100 114.576 115.700 -0.040 0.000 2.603 324 S HA 0.010 4.478 4.470 -0.003 0.000 0.229 324 S C 0.806 175.380 174.600 -0.043 0.000 0.972 324 S CA -0.062 58.117 58.200 -0.034 0.000 0.935 324 S CB -1.236 61.950 63.200 -0.024 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.595 121.129 120.570 -0.060 0.000 2.474 325 I HA 0.514 4.682 4.170 -0.003 0.000 0.294 325 I C -1.104 174.973 176.117 -0.066 0.000 1.005 325 I CA -0.907 60.343 61.300 -0.083 0.000 1.113 325 I CB 1.685 39.601 38.000 -0.139 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.636 125.002 120.400 -0.057 0.000 2.479 326 D HA 0.167 4.805 4.640 -0.003 0.000 0.247 326 D C 0.735 177.017 176.300 -0.031 0.000 1.119 326 D CA -0.228 53.751 54.000 -0.035 0.000 0.922 326 D CB 0.643 41.429 40.800 -0.023 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.876 122.262 120.400 -0.024 0.000 2.203 327 D HA -0.220 4.418 4.640 -0.003 0.000 0.199 327 D C 1.517 177.822 176.300 0.009 0.000 0.997 327 D CA 1.101 55.100 54.000 -0.001 0.000 0.863 327 D CB 0.366 41.190 40.800 0.041 0.000 0.928 327 D HN 0.634 nan 8.370 nan 0.000 0.458 328 Q N 0.493 120.297 119.800 0.007 0.000 2.079 328 Q HA -0.123 4.215 4.340 -0.003 0.000 0.200 328 Q C 2.038 178.043 176.000 0.008 0.000 0.974 328 Q CA 0.790 56.598 55.803 0.009 0.000 0.840 328 Q CB -0.146 28.596 28.738 0.006 0.000 0.898 328 Q HN 0.435 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 -0.146 4.202 4.350 -0.003 0.000 0.190 329 E C 1.992 178.599 176.600 0.010 0.000 0.982 329 E CA 0.599 57.002 56.400 0.005 0.000 0.803 329 E CB 0.312 30.011 29.700 -0.001 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.748 120.950 120.200 0.003 0.000 2.077 330 E HA -0.213 4.135 4.350 -0.003 0.000 0.193 330 E C 2.309 178.923 176.600 0.022 0.000 0.989 330 E CA 0.548 56.952 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 0.658 121.896 121.223 0.025 0.000 2.051 331 L HA -0.247 4.091 4.340 -0.003 0.000 0.214 331 L C 2.525 179.433 176.870 0.063 0.000 1.076 331 L CA 1.362 56.230 54.840 0.046 0.000 0.758 331 L CB -0.149 41.932 42.059 0.037 0.000 0.890 331 L HN 0.146 nan 8.230 nan 0.000 0.433 332 M N -1.459 118.168 119.600 0.045 0.000 2.156 332 M HA -0.097 4.381 4.480 -0.003 0.000 0.264 332 M C 2.517 178.847 176.300 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 0.369 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 4.135 4.320 -0.003 0.000 0.218 333 A C 2.381 179.996 177.584 0.051 0.000 1.188 333 A CA 2.645 54.709 52.037 0.045 0.000 0.631 333 A CB -1.334 17.691 19.000 0.042 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.254 114.329 114.554 0.049 0.000 2.622 334 T HA -0.180 4.169 4.350 -0.003 0.000 0.266 334 T C 1.798 176.526 174.700 0.048 0.000 1.047 334 T CA 1.457 63.584 62.100 0.044 0.000 1.159 334 T CB -0.495 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 1.000 121.449 120.400 0.082 0.000 2.137 335 D HA -0.127 4.511 4.640 -0.003 0.000 0.189 335 D C 2.340 178.683 176.300 0.072 0.000 0.998 335 D CA 1.870 55.938 54.000 0.113 0.000 0.839 335 D CB -0.269 40.620 40.800 0.150 0.000 0.962 335 D HN 0.351 nan 8.370 nan 0.000 0.446 336 S N 0.744 116.482 115.700 0.065 0.000 2.383 336 S HA -0.171 4.297 4.470 -0.003 0.000 0.229 336 S C 2.235 176.867 174.600 0.053 0.000 1.030 336 S CA 1.431 59.664 58.200 0.055 0.000 1.002 336 S CB -0.474 62.755 63.200 0.048 0.000 0.829 336 S HN 0.479 nan 8.310 nan 0.000 0.467 337 A N 1.732 124.583 122.820 0.051 0.000 1.902 337 A HA -0.035 4.283 4.320 -0.003 0.000 0.217 337 A C 2.115 179.740 177.584 0.067 0.000 1.181 337 A CA 1.232 53.302 52.037 0.055 0.000 0.623 337 A CB -0.775 18.259 19.000 0.057 0.000 0.818 337 A HN 0.483 nan 8.150 nan 0.000 0.443 338 I N -0.018 120.576 120.570 0.040 0.000 2.127 338 I HA -0.302 3.867 4.170 -0.003 0.000 0.241 338 I C 2.090 178.308 176.117 0.169 0.000 1.075 338 I CA 1.759 63.081 61.300 0.037 0.000 1.334 338 I CB -0.579 37.350 38.000 -0.118 0.000 1.040 338 I HN 0.358 nan 8.210 nan 0.000 0.405 339 D N 1.025 121.484 120.400 0.099 0.000 2.103 339 D HA -0.207 4.431 4.640 -0.003 0.000 0.190 339 D C 2.227 178.571 176.300 0.073 0.000 0.997 339 D CA 1.647 55.701 54.000 0.091 0.000 0.833 339 D CB -0.319 40.520 40.800 0.065 0.000 0.961 339 D HN 0.362 nan 8.370 nan 0.000 0.447 340 I N 0.765 121.370 120.570 0.057 0.000 2.335 340 I HA -0.248 3.920 4.170 -0.003 0.000 0.251 340 I C 2.223 178.349 176.117 0.015 0.000 1.129 340 I CA 0.620 61.938 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 -0.040 nan 8.210 nan 0.000 0.424 341 L N 0.553 121.807 121.223 0.053 0.000 2.633 341 L HA -0.016 4.322 4.340 -0.003 0.000 0.235 341 L C 1.640 178.432 176.870 -0.130 0.000 1.163 341 L CA 0.882 55.724 54.840 0.004 0.000 0.859 341 L CB -0.606 41.505 42.059 0.086 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.241 107.528 108.800 -0.051 0.000 2.143 342 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.249 342 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.249 342 G C 0.222 175.045 174.900 -0.129 0.000 0.981 342 G CA -0.473 44.559 45.100 -0.112 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.540 121.426 119.950 -0.107 0.000 2.506 343 F HA 0.522 5.047 4.527 -0.003 0.000 0.351 343 F C 1.371 177.143 175.800 -0.046 0.000 1.136 343 F CA 0.741 58.675 58.000 -0.110 0.000 1.298 343 F CB 1.175 40.092 39.000 -0.140 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.764 117.578 115.700 0.191 0.000 2.576 344 S HA 0.353 4.822 4.470 -0.003 0.000 0.276 344 S C 1.094 175.776 174.600 0.136 0.000 1.339 344 S CA -0.146 58.132 58.200 0.130 0.000 1.039 344 S CB 0.927 64.198 63.200 0.118 0.000 0.902 344 S HN 0.779 nan 8.310 nan 0.000 0.516 345 A N 3.635 126.514 122.820 0.097 0.000 1.908 345 A HA -0.123 4.196 4.320 -0.003 0.000 0.218 345 A C 1.769 179.407 177.584 0.091 0.000 1.181 345 A CA 2.276 54.368 52.037 0.090 0.000 0.627 345 A CB -1.236 17.808 19.000 0.073 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.147 120.303 120.400 0.084 0.000 2.103 346 D HA -0.126 4.512 4.640 -0.003 0.000 0.190 346 D C 1.152 177.507 176.300 0.092 0.000 0.997 346 D CA 1.394 55.438 54.000 0.074 0.000 0.833 346 D CB -0.124 40.718 40.800 0.069 0.000 0.961 346 D HN 0.673 nan 8.370 nan 0.000 0.447 350 A N 1.989 124.820 122.820 0.018 0.000 1.883 350 A HA 0.017 4.335 4.320 -0.003 0.000 0.217 350 A C 2.099 179.650 177.584 -0.055 0.000 1.186 350 A CA 1.588 53.601 52.037 -0.040 0.000 0.624 350 A CB -0.883 18.068 19.000 -0.082 0.000 0.822 350 A HN 0.536 nan 8.150 nan 0.000 0.444 351 I N -1.576 118.949 120.570 -0.074 0.000 2.118 351 I HA -0.245 3.923 4.170 -0.003 0.000 0.241 351 I C 1.409 177.476 176.117 -0.083 0.000 1.070 351 I CA 1.192 62.398 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 -0.648 113.956 114.554 0.084 0.000 3.035 355 T HA 0.056 4.404 4.350 -0.003 0.000 0.268 355 T C 1.475 176.319 174.700 0.239 0.000 1.109 355 T CA 1.308 63.509 62.100 0.167 0.000 1.119 355 T CB -0.113 68.824 68.868 0.115 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.647 109.548 108.800 0.169 0.000 2.545 356 G HA2 0.259 4.217 3.960 -0.003 0.000 0.212 356 G HA3 0.259 4.217 3.960 -0.003 0.000 0.212 356 G C 1.784 176.793 174.900 0.183 0.000 1.144 356 G CA 0.561 45.740 45.100 0.132 0.000 0.813 356 G HN 0.482 nan 8.290 nan 0.000 0.531 357 A N 0.785 123.727 122.820 0.204 0.000 1.892 357 A HA -0.053 4.265 4.320 -0.003 0.000 0.218 357 A C 2.567 180.225 177.584 0.122 0.000 1.188 357 A CA 2.046 54.216 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 0.269 nan 8.150 nan 0.000 0.447 358 V N 0.189 120.107 119.914 0.007 0.000 2.324 358 V HA -0.368 3.750 4.120 -0.003 0.000 0.250 358 V C 2.682 178.904 176.094 0.212 0.000 1.060 358 V CA 2.305 64.634 62.300 0.049 0.000 1.042 358 V CB -0.755 31.192 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 4.281 4.480 -0.003 0.000 0.261 359 M C 2.206 178.561 176.300 0.092 0.000 1.067 359 M CA 2.110 57.415 55.300 0.009 0.000 1.116 359 M CB -0.878 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 -1.021 118.202 119.070 0.255 0.000 2.387 360 H HA -0.185 4.369 4.556 -0.003 0.000 0.299 360 H C 1.887 177.355 175.328 0.234 0.000 1.099 360 H CA 1.749 57.955 56.048 0.264 0.000 1.315 360 H CB -0.071 29.862 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 4.378 4.550 -0.003 0.000 0.282 361 Y C 2.765 178.579 175.900 -0.143 0.000 1.165 361 Y CA 1.402 59.569 58.100 0.113 0.000 1.148 361 Y CB -0.949 37.661 38.460 0.251 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.894 107.589 108.800 -0.529 0.000 2.586 362 G HA2 -0.226 3.733 3.960 -0.003 0.000 0.215 362 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.215 362 G C 1.382 175.994 174.900 -0.480 0.000 1.128 362 G CA 0.909 45.129 45.100 -1.467 0.000 0.774 362 G HN 0.311 nan 8.290 nan 0.000 0.543 363 N N -0.654 117.928 118.700 -0.196 0.000 2.282 363 N HA 0.129 4.867 4.740 -0.003 0.000 0.185 363 N C 0.258 175.718 175.510 -0.083 0.000 1.099 363 N CA -0.331 52.653 53.050 -0.110 0.000 0.878 363 N CB 0.229 38.684 38.487 -0.054 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.399 122.592 121.223 -0.049 0.000 2.513 364 L HA 0.036 4.374 4.340 -0.003 0.000 0.272 364 L C 0.272 177.094 176.870 -0.079 0.000 1.187 364 L CA 0.718 55.500 54.840 -0.096 0.000 0.895 364 L CB 0.175 42.218 42.059 -0.027 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.916 123.135 120.400 -0.301 0.000 2.318 365 K HA 0.750 5.068 4.320 -0.003 0.000 0.249 365 K C -1.223 175.019 176.600 -0.597 0.000 0.942 365 K CA -0.285 55.909 56.287 -0.155 0.000 0.808 365 K CB 1.364 33.792 32.500 -0.121 0.000 1.189 365 K HN 0.218 nan 8.250 nan 0.000 0.428 371 R N -0.580 119.928 120.500 0.014 0.000 3.977 371 R HA -0.199 4.139 4.340 -0.003 0.000 0.428 371 R C -0.327 175.982 176.300 0.014 0.000 1.079 371 R CA 1.447 57.554 56.100 0.012 0.000 1.269 371 R CB -0.905 29.402 30.300 0.011 0.000 1.856 371 R HN 0.574 nan 8.270 nan 0.000 0.551 372 E N 0.210 120.420 120.200 0.017 0.000 2.336 372 E HA 0.237 4.585 4.350 -0.003 0.000 0.267 372 E C -0.450 176.158 176.600 0.013 0.000 0.906 372 E CA -0.544 55.868 56.400 0.020 0.000 0.781 372 E CB 1.722 31.442 29.700 0.034 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.919 121.124 120.200 0.008 0.000 2.451 373 E HA 0.015 4.363 4.350 -0.003 0.000 0.194 373 E C -0.239 176.349 176.600 -0.020 0.000 1.027 373 E CA -0.063 56.334 56.400 -0.005 0.000 0.914 373 E CB 0.648 30.345 29.700 -0.005 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.161 119.955 119.800 -0.009 0.000 2.221 374 Q HA 0.481 4.819 4.340 -0.003 0.000 0.242 374 Q C -0.951 175.010 176.000 -0.066 0.000 0.940 374 Q CA -0.400 55.380 55.803 -0.038 0.000 0.896 374 Q CB 1.342 30.091 28.738 0.019 0.000 1.226 374 Q HN 0.131 nan 8.270 nan 0.000 0.463 375 A N 2.607 125.335 122.820 -0.154 0.000 2.301 375 A HA 0.511 4.830 4.320 -0.003 0.000 0.298 375 A C -0.994 176.520 177.584 -0.116 0.000 1.185 375 A CA -0.336 51.604 52.037 -0.160 0.000 0.830 375 A CB 0.325 19.134 19.000 -0.320 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.787 123.006 120.200 0.031 0.000 2.272 376 E HA 0.625 4.974 4.350 -0.003 0.000 0.269 376 E C -2.998 173.723 176.600 0.202 0.000 0.877 376 E CA -2.216 54.243 56.400 0.097 0.000 0.755 376 E CB 1.753 31.504 29.700 0.085 0.000 1.192 376 E HN 0.319 nan 8.360 nan 0.000 0.422 377 P HA 0.007 nan 4.420 nan 0.000 0.264 377 P C -0.438 176.815 177.300 -0.078 0.000 1.183 377 P CA 0.118 63.233 63.100 0.027 0.000 0.763 377 P CB 0.510 32.204 31.700 -0.009 0.000 0.807 378 D N 1.670 121.938 120.400 -0.221 0.000 2.460 378 D HA 0.308 4.946 4.640 -0.003 0.000 0.229 378 D C 0.442 176.655 176.300 -0.145 0.000 1.170 378 D CA 0.094 54.012 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 -0.700 108.013 108.800 -0.145 0.000 2.316 379 G HA2 0.095 4.053 3.960 -0.003 0.000 0.468 379 G HA3 0.095 4.053 3.960 -0.003 0.000 0.468 379 G C -0.302 174.524 174.900 -0.124 0.000 1.523 379 G CA -0.315 44.717 45.100 -0.114 0.000 0.972 379 G HN 0.102 nan 8.290 nan 0.000 0.667 380 T N -1.725 112.780 114.554 -0.082 0.000 3.444 380 T HA 0.606 4.954 4.350 -0.003 0.000 0.265 380 T C 0.488 175.151 174.700 -0.062 0.000 1.537 380 T CA 0.046 62.104 62.100 -0.069 0.000 1.530 380 T CB 1.351 70.194 68.868 -0.042 0.000 0.958 380 T HN 0.535 nan 8.240 nan 0.000 0.684 381 E N 0.634 120.790 120.200 -0.073 0.000 2.207 381 E HA 0.066 4.414 4.350 -0.003 0.000 0.197 381 E C 1.557 178.114 176.600 -0.071 0.000 0.914 381 E CA 0.462 56.824 56.400 -0.064 0.000 0.914 381 E CB 0.530 30.194 29.700 -0.061 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.247 121.114 119.914 -0.079 0.000 2.599 382 V HA -0.022 4.097 4.120 -0.003 0.000 0.245 382 V C 2.349 178.396 176.094 -0.079 0.000 1.046 382 V CA 1.357 63.609 62.300 -0.080 0.000 1.065 382 V CB -0.226 31.578 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.299 122.478 122.820 -0.073 0.000 1.933 383 A HA -0.146 4.172 4.320 -0.003 0.000 0.218 383 A C 1.257 178.837 177.584 -0.006 0.000 1.175 383 A CA 1.277 53.288 52.037 -0.043 0.000 0.628 383 A CB -0.496 18.470 19.000 -0.057 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 -0.018 4.301 4.320 -0.003 0.000 0.217 387 A C 2.003 179.684 177.584 0.161 0.000 1.186 387 A CA 2.153 54.285 52.037 0.159 0.000 0.624 387 A CB -0.914 18.159 19.000 0.121 0.000 0.822 387 A HN 1.365 nan 8.150 nan 0.000 0.444 388 Y N -0.243 120.082 120.300 0.042 0.000 2.200 388 Y HA -0.087 4.461 4.550 -0.003 0.000 0.290 388 Y C 1.828 177.754 175.900 0.043 0.000 1.137 388 Y CA 1.452 59.573 58.100 0.034 0.000 1.163 388 Y CB -0.325 38.145 38.460 0.016 0.000 0.988 388 Y HN 0.162 nan 8.280 nan 0.000 0.518 389 L N 0.219 121.393 121.223 -0.080 0.000 2.191 389 L HA -0.166 4.172 4.340 -0.003 0.000 0.212 389 L C 2.027 178.820 176.870 -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 -2.024 117.547 119.600 -0.049 0.000 2.441 390 M HA 0.253 4.731 4.480 -0.003 0.000 0.244 390 M C 1.048 177.315 176.300 -0.055 0.000 1.122 390 M CA 0.584 55.850 55.300 -0.056 0.000 1.041 390 M CB 0.336 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 1.970 110.732 108.800 -0.064 0.000 2.248 391 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.263 391 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.263 391 G C -0.656 174.262 174.900 0.031 0.000 1.082 391 G CA -0.277 44.802 45.100 -0.035 0.000 0.863 391 G HN 0.265 nan 8.290 nan 0.000 0.495 392 L N -0.355 120.907 121.223 0.066 0.000 2.260 392 L HA 0.748 5.086 4.340 -0.003 0.000 0.265 392 L C 0.188 177.113 176.870 0.092 0.000 1.015 392 L CA -1.580 53.317 54.840 0.095 0.000 0.826 392 L CB 1.551 43.693 42.059 0.138 0.000 1.373 392 L HN 0.236 nan 8.230 nan 0.000 0.450 393 N N -0.724 118.026 118.700 0.082 0.000 2.443 393 N HA 0.177 4.915 4.740 -0.003 0.000 0.269 393 N C 0.381 175.930 175.510 0.064 0.000 0.985 393 N CA 0.022 53.113 53.050 0.069 0.000 0.921 393 N CB 1.708 40.226 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 4.207 4.470 -0.003 0.000 0.229 394 S C 1.743 176.368 174.600 0.041 0.000 1.052 394 S CA 2.218 60.446 58.200 0.046 0.000 1.084 394 S CB -0.151 63.066 63.200 0.029 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.032 123.875 122.820 0.038 0.000 1.832 395 A HA -0.127 4.191 4.320 -0.003 0.000 0.214 395 A C 1.958 179.569 177.584 0.045 0.000 1.200 395 A CA 1.595 53.656 52.037 0.040 0.000 0.610 395 A CB -0.876 18.144 19.000 0.033 0.000 0.842 395 A HN 0.572 nan 8.150 nan 0.000 0.444 396 E N -0.797 119.426 120.200 0.039 0.000 2.147 396 E HA -0.260 4.089 4.350 -0.003 0.000 0.199 396 E C 1.935 178.554 176.600 0.031 0.000 1.005 396 E CA 1.488 57.908 56.400 0.033 0.000 0.810 396 E CB -0.327 29.390 29.700 0.029 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.509 121.755 121.223 0.039 0.000 2.005 397 L HA -0.167 4.171 4.340 -0.003 0.000 0.207 397 L C 2.063 178.953 176.870 0.035 0.000 1.072 397 L CA 1.496 56.357 54.840 0.036 0.000 0.744 397 L CB -0.344 41.752 42.059 0.061 0.000 0.895 397 L HN 0.059 nan 8.230 nan 0.000 0.433 398 L N -0.225 121.033 121.223 0.057 0.000 2.275 398 L HA -0.120 4.218 4.340 -0.003 0.000 0.215 398 L C 2.455 179.377 176.870 0.085 0.000 1.119 398 L CA 1.378 56.274 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 0.084 0.000 1.980 399 K HA -0.054 4.265 4.320 -0.003 0.000 0.208 399 K C 2.102 178.750 176.600 0.080 0.000 1.043 399 K CA 1.186 57.554 56.287 0.136 0.000 0.938 399 K CB -0.229 32.343 32.500 0.119 0.000 0.724 399 K HN 0.238 nan 8.250 nan 0.000 0.438 400 A N 1.684 124.523 122.820 0.032 0.000 1.940 400 A HA -0.235 4.083 4.320 -0.003 0.000 0.221 400 A C 2.113 179.657 177.584 -0.066 0.000 1.190 400 A CA 1.663 53.689 52.037 -0.018 0.000 0.647 400 A CB -0.731 18.238 19.000 -0.050 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.001 120.175 121.223 -0.079 0.000 2.017 401 L HA -0.152 4.187 4.340 -0.003 0.000 0.208 401 L C 2.673 179.387 176.870 -0.259 0.000 1.073 401 L CA 1.930 56.680 54.840 -0.149 0.000 0.745 401 L CB -0.882 41.115 42.059 -0.103 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.209 116.923 119.300 -0.281 0.000 2.505 402 C HA -0.028 4.430 4.460 -0.003 0.000 0.279 402 C C 0.871 175.410 174.990 -0.752 0.000 1.316 402 C CA -0.127 58.564 59.018 -0.545 0.000 1.720 402 C CB -0.624 26.781 27.740 -0.559 0.000 2.050 402 C HN 0.407 nan 8.230 nan 0.000 0.493 403 Y N 0.880 121.140 120.300 -0.066 0.000 2.553 403 Y HA 0.307 4.855 4.550 -0.003 0.000 0.369 403 Y C -2.318 173.549 175.900 -0.054 0.000 0.964 403 Y CA -3.196 54.873 58.100 -0.053 0.000 1.156 403 Y CB -0.598 37.840 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 -0.119 177.190 177.300 0.015 0.000 1.173 404 P CA 0.325 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 3.617 124.122 120.500 0.009 0.000 2.230 405 R HA 0.401 4.739 4.340 -0.003 0.000 0.337 405 R C -0.637 175.660 176.300 -0.005 0.000 1.063 405 R CA -0.685 55.420 56.100 0.009 0.000 0.935 405 R CB 0.091 30.397 30.300 0.010 0.000 1.121 405 R HN 0.101 nan 8.270 nan 0.000 0.486 406 V N 2.325 122.237 119.914 -0.003 0.000 3.596 406 V HA 0.501 4.619 4.120 -0.003 0.000 0.288 406 V C 1.064 177.157 176.094 -0.003 0.000 1.021 406 V CA -0.169 62.128 62.300 -0.005 0.000 1.020 406 V CB 1.560 33.382 31.823 -0.003 0.000 1.243 406 V HN 0.947 nan 8.190 nan 0.000 0.433 407 G N 0.073 108.872 108.800 -0.002 0.000 4.566 407 G HA2 0.445 4.404 3.960 -0.003 0.000 0.276 407 G HA3 0.445 4.404 3.960 -0.003 0.000 0.276 407 G C -0.970 173.929 174.900 -0.002 0.000 1.248 407 G CA -0.114 44.985 45.100 -0.002 0.000 0.858 407 G HN 0.401 nan 8.290 nan 0.000 0.549 408 V N 1.667 121.580 119.914 -0.002 0.000 2.389 408 V HA 0.688 4.806 4.120 -0.003 0.000 0.264 408 V C 1.220 177.311 176.094 -0.004 0.000 1.049 408 V CA 1.577 63.875 62.300 -0.003 0.000 0.932 408 V CB 0.182 32.004 31.823 -0.001 0.000 1.011 408 V HN 1.198 nan 8.190 nan 0.000 0.475 409 G N 5.437 114.234 108.800 -0.006 0.000 2.846 409 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.225 409 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.225 409 G C 0.275 175.172 174.900 -0.006 0.000 1.285 409 G CA 0.143 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 2.013 120.710 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.934 4.740 -0.003 0.000 0.222 410 N C 0.578 176.086 175.510 -0.004 0.000 1.218 410 N CA 1.015 54.062 53.050 -0.005 0.000 0.889 410 N CB 0.756 39.240 38.487 -0.005 0.000 1.083 410 N HN 0.967 nan 8.380 nan 0.000 0.520 411 E N 0.342 120.539 120.200 -0.004 0.000 2.573 411 E HA 0.737 5.085 4.350 -0.003 0.000 0.218 411 E C -1.120 175.478 176.600 -0.003 0.000 0.777 411 E CA -1.309 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 4.776 4.320 -0.003 0.000 0.291 412 A C -0.891 176.691 177.584 -0.003 0.000 1.234 412 A CA -0.700 51.335 52.037 -0.003 0.000 0.752 412 A CB 0.680 19.678 19.000 -0.004 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.056 122.969 119.914 -0.001 0.000 2.385 413 V HA 0.286 4.404 4.120 -0.003 0.000 0.269 413 V C 0.969 177.067 176.094 0.006 0.000 1.043 413 V CA -0.097 62.204 62.300 0.001 0.000 0.906 413 V CB 0.711 32.535 31.823 0.001 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.094 120.186 120.200 -0.179 0.000 2.281 417 E HA 0.667 5.016 4.350 -0.003 0.000 0.262 417 E C -0.197 176.285 176.600 -0.197 0.000 0.933 417 E CA -0.733 55.557 56.400 -0.183 0.000 0.809 417 E CB 2.176 31.741 29.700 -0.224 0.000 1.242 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 T N 0.242 114.699 114.554 -0.162 0.000 2.881 418 T HA 0.094 4.442 4.350 -0.003 0.000 0.278 418 T C 1.593 176.165 174.700 -0.213 0.000 0.982 418 T CA -0.703 61.309 62.100 -0.147 0.000 0.989 418 T CB 1.248 70.061 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.215 121.018 119.914 -0.186 0.000 2.255 419 V HA -0.180 3.938 4.120 -0.003 0.000 0.247 419 V C 2.683 178.611 176.094 -0.276 0.000 1.051 419 V CA 2.046 64.190 62.300 -0.261 0.000 1.018 419 V CB -1.025 30.713 31.823 -0.142 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.468 115.162 115.700 -0.117 0.000 2.419 420 S HA -0.227 4.242 4.470 -0.003 0.000 0.235 420 S C 1.856 176.424 174.600 -0.053 0.000 1.019 420 S CA 1.610 59.791 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 0.429 120.560 120.200 -0.115 0.000 2.158 421 E HA -0.046 4.302 4.350 -0.003 0.000 0.191 421 E C 2.019 178.523 176.600 -0.159 0.000 0.982 421 E CA 0.858 57.190 56.400 -0.113 0.000 0.823 421 E CB -0.126 29.501 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 3.907 4.120 -0.003 0.000 0.243 422 V C 2.120 178.091 176.094 -0.205 0.000 1.038 422 V CA 1.662 63.706 62.300 -0.427 0.000 1.008 422 V CB -0.754 30.506 31.823 -0.938 0.000 0.645 422 V HN 0.252 nan 8.190 nan 0.000 0.449 423 H N 0.958 119.958 119.070 -0.117 0.000 2.394 423 H HA -0.172 4.383 4.556 -0.003 0.000 0.297 423 H C 2.268 177.647 175.328 0.085 0.000 1.113 423 H CA 2.007 58.089 56.048 0.058 0.000 1.277 423 H CB -0.645 29.180 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 -0.114 4.624 4.740 -0.003 0.000 0.183 424 N C 2.125 177.684 175.510 0.082 0.000 1.017 424 N CA 1.113 54.226 53.050 0.105 0.000 0.861 424 N CB 0.063 38.586 38.487 0.059 0.000 0.986 424 N HN 0.306 nan 8.380 nan 0.000 0.428 425 S N 0.615 116.333 115.700 0.031 0.000 2.383 425 S HA -0.062 4.407 4.470 -0.003 0.000 0.227 425 S C 2.117 176.774 174.600 0.096 0.000 1.026 425 S CA 0.638 58.854 58.200 0.027 0.000 0.981 425 S CB -0.702 62.476 63.200 -0.037 0.000 0.818 425 S HN 0.015 nan 8.310 nan 0.000 0.472 426 V N 2.730 122.722 119.914 0.129 0.000 2.233 426 V HA -0.124 3.994 4.120 -0.003 0.000 0.247 426 V C 2.995 179.311 176.094 0.371 0.000 1.050 426 V CA 2.078 64.525 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 -0.600 108.399 108.800 0.331 0.000 2.469 427 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.220 427 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.220 427 G C 1.715 176.710 174.900 0.158 0.000 1.136 427 G CA 1.218 46.467 45.100 0.248 0.000 0.759 427 G HN 0.660 nan 8.290 nan 0.000 0.562 428 A N 0.300 123.208 122.820 0.147 0.000 1.930 428 A HA 0.167 4.485 4.320 -0.003 0.000 0.217 428 A C 2.421 180.105 177.584 0.168 0.000 1.175 428 A CA 1.250 53.358 52.037 0.118 0.000 0.627 428 A CB -0.278 18.771 19.000 0.082 0.000 0.815 428 A HN 0.366 nan 8.150 nan 0.000 0.443 429 L N -0.433 120.932 121.223 0.236 0.000 2.044 429 L HA 0.047 4.385 4.340 -0.003 0.000 0.205 429 L C 2.048 179.108 176.870 0.317 0.000 1.075 429 L CA 0.383 55.412 54.840 0.316 0.000 0.747 429 L CB -0.937 41.365 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.181 120.268 119.914 0.289 0.000 2.287 433 V HA -0.290 3.828 4.120 -0.003 0.000 0.248 433 V C 2.220 178.351 176.094 0.062 0.000 1.053 433 V CA 2.667 65.077 62.300 0.183 0.000 1.027 433 V CB -1.094 30.817 31.823 0.147 0.000 0.646 433 V HN 0.625 nan 8.190 nan 0.000 0.447 434 Y N 1.243 121.544 120.300 0.001 0.000 2.081 434 Y HA -0.204 4.344 4.550 -0.003 0.000 0.280 434 Y C 1.830 177.702 175.900 -0.047 0.000 1.163 434 Y CA 1.876 59.965 58.100 -0.019 0.000 1.135 434 Y CB -0.279 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 -0.417 0.000 2.161 438 F HA -0.164 4.361 4.527 -0.003 0.000 0.300 438 F C 1.362 176.988 175.800 -0.291 0.000 1.089 438 F CA 2.052 59.776 58.000 -0.461 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 -0.775 120.430 121.223 -0.030 0.000 2.017 439 L HA -0.194 4.144 4.340 -0.003 0.000 0.208 439 L C 2.077 178.879 176.870 -0.114 0.000 1.073 439 L CA 1.765 56.555 54.840 -0.083 0.000 0.745 439 L CB -1.944 40.121 42.059 0.009 0.000 0.894 439 L HN 0.503 nan 8.230 nan 0.000 0.432 440 W N 0.193 121.352 121.300 -0.235 0.000 2.333 440 W HA -0.266 4.392 4.660 -0.003 0.000 0.316 440 W C 2.676 179.077 176.519 -0.196 0.000 1.215 440 W CA 1.794 59.023 57.345 -0.193 0.000 1.278 440 W CB -0.417 28.937 29.460 -0.177 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.231 119.161 119.600 -0.346 0.000 2.089 441 M HA -0.301 4.177 4.480 -0.003 0.000 0.257 441 M C 1.874 177.912 176.300 -0.437 0.000 1.071 441 M CA 2.332 57.330 55.300 -0.504 0.000 1.096 441 M CB -0.866 31.373 32.600 -0.602 0.000 1.330 441 M HN -0.066 nan 8.290 nan 0.000 0.403 442 V N 0.470 120.078 119.914 -0.510 0.000 2.255 442 V HA -0.311 3.807 4.120 -0.003 0.000 0.247 442 V C 2.125 178.020 176.094 -0.332 0.000 1.051 442 V CA 2.053 64.096 62.300 -0.427 0.000 1.018 442 V CB -0.555 31.000 31.823 -0.447 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.691 119.695 120.570 -0.307 0.000 2.118 443 I HA -0.263 3.906 4.170 -0.003 0.000 0.241 443 I C 2.788 178.693 176.117 -0.353 0.000 1.070 443 I CA 1.580 62.723 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 0.388 120.567 120.500 -0.535 0.000 2.105 444 R HA -0.134 4.205 4.340 -0.003 0.000 0.239 444 R C 2.200 178.124 176.300 -0.628 0.000 1.135 444 R CA 1.476 57.161 56.100 -0.690 0.000 0.967 444 R CB -0.715 28.912 30.300 -1.121 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.222 121.500 120.570 -0.486 0.000 2.113 445 I HA -0.317 3.851 4.170 -0.003 0.000 0.238 445 I C 1.957 177.904 176.117 -0.283 0.000 1.070 445 I CA 1.227 62.317 61.300 -0.350 0.000 1.332 445 I CB -0.550 37.316 38.000 -0.225 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.099 119.651 118.700 -0.246 0.000 2.133 446 N HA -0.277 4.462 4.740 -0.003 0.000 0.193 446 N C 1.839 177.227 175.510 -0.204 0.000 1.012 446 N CA 1.867 54.798 53.050 -0.199 0.000 0.871 446 N CB -0.464 37.914 38.487 -0.182 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.080 119.733 119.800 -0.245 0.000 2.124 447 Q HA -0.168 4.171 4.340 -0.003 0.000 0.202 447 Q C 1.663 177.534 176.000 -0.214 0.000 0.977 447 Q CA 1.327 56.995 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 0.355 120.005 119.800 -0.249 0.000 2.137 448 Q HA 0.037 4.375 4.340 -0.003 0.000 0.198 448 Q C 1.429 177.332 176.000 -0.161 0.000 0.960 448 Q CA 0.714 56.391 55.803 -0.209 0.000 0.847 448 Q CB 0.107 28.703 28.738 -0.237 0.000 0.915 448 Q HN 0.298 nan 8.270 nan 0.000 0.448 449 L N 1.195 122.321 121.223 -0.162 0.000 2.749 449 L HA 0.021 4.359 4.340 -0.003 0.000 0.245 449 L C -0.310 176.478 176.870 -0.135 0.000 1.156 449 L CA 0.842 55.602 54.840 -0.133 0.000 0.890 449 L CB -0.769 41.214 42.059 -0.126 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.600 119.715 120.400 -0.142 0.000 2.280 450 D HA 0.385 5.023 4.640 -0.003 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 1.147 41.862 40.800 -0.142 0.000 1.100 450 D HN 0.156 nan 8.370 nan 0.000 0.486 451 T N -0.040 114.443 114.554 -0.119 0.000 2.940 451 T HA 0.442 4.790 4.350 -0.003 0.000 0.288 451 T C 1.033 175.678 174.700 -0.092 0.000 1.045 451 T CA -0.764 61.280 62.100 -0.094 0.000 1.018 451 T CB 1.952 70.773 68.868 -0.078 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.091 120.266 120.400 -0.072 0.000 2.211 452 K HA 0.065 4.383 4.320 -0.003 0.000 0.201 452 K C 0.752 177.317 176.600 -0.058 0.000 1.052 452 K CA 0.310 56.558 56.287 -0.064 0.000 0.973 452 K CB 0.020 32.489 32.500 -0.051 0.000 0.766 452 K HN 0.656 nan 8.250 nan 0.000 0.466 453 Q N 2.182 121.951 119.800 -0.051 0.000 2.352 453 Q HA -0.024 4.314 4.340 -0.003 0.000 0.326 453 Q C -2.332 173.639 176.000 -0.048 0.000 1.135 453 Q CA -1.110 54.669 55.803 -0.040 0.000 1.000 453 Q CB -0.639 28.082 28.738 -0.028 0.000 1.237 453 Q HN 0.020 nan 8.270 nan 0.000 0.409 454 P HA 0.089 nan 4.420 nan 0.000 0.272 454 P C -0.959 176.314 177.300 -0.045 0.000 1.223 454 P CA -0.011 63.062 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 1.304 121.773 120.500 -0.051 0.000 2.561 455 R HA 0.376 4.715 4.340 -0.003 0.000 0.297 455 R C 0.657 176.910 176.300 -0.078 0.000 0.969 455 R CA -0.611 55.474 56.100 -0.025 0.000 0.879 455 R CB 1.941 32.249 30.300 0.014 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.037 120.693 119.800 -0.241 0.000 2.431 456 Q HA 0.180 4.519 4.340 -0.003 0.000 0.244 456 Q C -0.563 175.106 176.000 -0.551 0.000 0.880 456 Q CA 0.738 56.216 55.803 -0.543 0.000 0.954 456 Q CB 0.886 29.045 28.738 -0.965 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.013 119.401 120.300 0.189 0.000 2.670 457 Y HA 0.507 5.055 4.550 -0.003 0.000 0.334 457 Y C -0.662 175.374 175.900 0.228 0.000 1.185 457 Y CA -1.998 56.193 58.100 0.152 0.000 1.053 457 Y CB 0.773 39.252 38.460 0.031 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.826 119.238 119.950 0.191 0.000 2.650 458 F HA 0.911 5.436 4.527 -0.003 0.000 0.320 458 F C -1.897 173.923 175.800 0.033 0.000 1.091 458 F CA -1.852 56.115 58.000 -0.054 0.000 0.962 458 F CB 1.644 40.255 39.000 -0.649 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 4.662 4.170 -0.003 0.000 0.283 459 I C 0.008 176.187 176.117 0.103 0.000 1.023 459 I CA -0.733 60.586 61.300 0.031 0.000 1.100 459 I CB 1.679 39.639 38.000 -0.066 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.793 114.704 108.800 0.186 0.000 2.353 460 G HA2 0.519 4.477 3.960 -0.003 0.000 0.284 460 G HA3 0.519 4.477 3.960 -0.003 0.000 0.284 460 G C -0.658 174.327 174.900 0.141 0.000 1.172 460 G CA -0.226 44.928 45.100 0.091 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.946 123.877 119.914 0.028 0.000 2.326 461 V HA 0.319 4.438 4.120 -0.003 0.000 0.281 461 V C -0.167 176.107 176.094 0.300 0.000 1.015 461 V CA -0.689 61.712 62.300 0.168 0.000 0.823 461 V CB 1.033 32.942 31.823 0.143 0.000 1.009 461 V HN 0.704 nan 8.190 nan 0.000 0.436 462 L N 4.512 125.984 121.223 0.414 0.000 2.282 462 L HA 0.764 5.102 4.340 -0.003 0.000 0.288 462 L C -0.629 176.400 176.870 0.265 0.000 1.033 462 L CA 0.344 55.459 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 0.644 nan 8.230 nan 0.000 0.423 463 D N 6.364 126.916 120.400 0.253 0.000 2.549 463 D HA 0.564 5.203 4.640 -0.003 0.000 0.251 463 D C -0.999 175.396 176.300 0.159 0.000 1.153 463 D CA -0.099 54.002 54.000 0.168 0.000 0.861 463 D CB 1.061 41.941 40.800 0.134 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.935 121.576 120.570 0.117 0.000 3.181 464 I HA 0.517 4.685 4.170 -0.003 0.000 0.311 464 I C -0.221 175.943 176.117 0.079 0.000 1.287 464 I CA -1.330 60.032 61.300 0.103 0.000 0.958 464 I CB 1.906 39.958 38.000 0.086 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 5.101 4.320 -0.003 0.000 0.271 465 A C 0.083 177.714 177.584 0.079 0.000 1.091 465 A CA -0.008 52.071 52.037 0.069 0.000 0.812 465 A CB 0.581 19.622 19.000 0.068 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.004 107.841 108.800 0.076 0.000 2.441 466 G HA2 0.487 4.445 3.960 -0.003 0.000 0.334 466 G HA3 0.487 4.445 3.960 -0.003 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 0.964 120.895 119.950 -0.032 0.000 2.473 467 F HA 0.046 4.571 4.527 -0.003 0.000 0.405 467 F C 0.791 176.481 175.800 -0.183 0.000 0.988 467 F CA 0.739 58.666 58.000 -0.120 0.000 1.096 467 F CB 0.189 39.102 39.000 -0.145 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.321 126.345 120.200 -0.294 0.000 2.222 468 E HA 0.468 4.816 4.350 -0.003 0.000 0.267 468 E C -0.891 175.184 176.600 -0.876 0.000 0.884 468 E CA -0.940 55.158 56.400 -0.504 0.000 0.764 468 E CB 2.084 31.465 29.700 -0.532 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.409 123.512 120.570 -0.779 0.000 2.378 469 I HA 0.382 4.550 4.170 -0.003 0.000 0.291 469 I C -0.916 174.779 176.117 -0.703 0.000 0.992 469 I CA -0.527 60.387 61.300 -0.642 0.000 1.154 469 I CB 0.679 38.548 38.000 -0.217 0.000 1.315 469 I HN 0.342 nan 8.210 nan 0.000 0.448 470 F N 2.746 122.634 119.950 -0.103 0.000 2.593 470 F HA 0.329 4.854 4.527 -0.003 0.000 0.320 470 F C 1.341 177.120 175.800 -0.034 0.000 1.060 470 F CA -1.021 56.953 58.000 -0.043 0.000 0.940 470 F CB 0.825 39.829 39.000 0.007 0.000 1.268 470 F HN 0.475 nan 8.300 nan 0.000 0.475 471 D N 0.235 120.779 120.400 0.239 0.000 2.218 471 D HA -0.193 4.445 4.640 -0.003 0.000 0.204 471 D C 0.139 176.557 176.300 0.196 0.000 0.976 471 D CA 1.409 55.498 54.000 0.149 0.000 0.853 471 D CB -0.012 40.867 40.800 0.132 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.106 122.117 119.950 0.103 0.000 2.382 472 F HA 0.309 4.834 4.527 -0.003 0.000 0.361 472 F C -0.734 175.146 175.800 0.134 0.000 1.109 472 F CA -1.071 56.980 58.000 0.085 0.000 1.031 472 F CB 0.724 39.754 39.000 0.050 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.751 123.226 118.700 -0.375 0.000 2.446 473 N HA 0.228 4.967 4.740 -0.003 0.000 0.265 473 N C -0.815 174.593 175.510 -0.171 0.000 0.975 473 N CA -0.250 52.676 53.050 -0.207 0.000 0.928 473 N CB 2.043 40.305 38.487 -0.376 0.000 1.160 473 N HN 0.470 nan 8.380 nan 0.000 0.495 474 S N 0.686 116.401 115.700 0.025 0.000 2.776 474 S HA 0.352 4.820 4.470 -0.003 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 2.306 121.942 119.950 -0.524 0.000 2.085 475 F HA -0.212 4.313 4.527 -0.003 0.000 0.299 475 F C 1.857 177.368 175.800 -0.482 0.000 1.096 475 F CA 2.776 60.041 58.000 -1.226 0.000 1.227 475 F CB -0.793 37.328 39.000 -1.464 0.000 0.983 475 F HN 0.678 nan 8.300 nan 0.000 0.482 476 E N 0.025 120.006 120.200 -0.365 0.000 2.160 476 E HA -0.254 4.095 4.350 -0.003 0.000 0.195 476 E C 2.012 178.471 176.600 -0.235 0.000 0.991 476 E CA 1.639 57.810 56.400 -0.381 0.000 0.810 476 E CB -0.515 29.095 29.700 -0.149 0.000 0.742 476 E HN 0.514 nan 8.360 nan 0.000 0.466 477 Q N 0.043 119.813 119.800 -0.051 0.000 2.079 477 Q HA -0.068 4.270 4.340 -0.003 0.000 0.200 477 Q C 2.075 178.121 176.000 0.076 0.000 0.974 477 Q CA 0.828 56.662 55.803 0.052 0.000 0.840 477 Q CB -0.296 28.530 28.738 0.148 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.005 121.288 121.223 0.100 0.000 1.989 478 L HA -0.229 4.110 4.340 -0.003 0.000 0.211 478 L C 1.925 178.850 176.870 0.091 0.000 1.071 478 L CA 1.891 56.730 54.840 -0.001 0.000 0.749 478 L CB -0.874 41.050 42.059 -0.226 0.000 0.890 478 L HN 0.342 nan 8.230 nan 0.000 0.431 479 C N -0.566 118.673 119.300 -0.101 0.000 2.401 479 C HA -0.170 4.288 4.460 -0.003 0.000 0.276 479 C C 2.678 177.768 174.990 0.166 0.000 1.233 479 C CA 0.979 59.971 59.018 -0.044 0.000 1.753 479 C CB -1.218 25.963 27.740 -0.932 0.000 2.029 479 C HN 0.642 nan 8.230 nan 0.000 0.478 480 I N 1.427 122.000 120.570 0.005 0.000 2.233 480 I HA -0.150 4.018 4.170 -0.003 0.000 0.243 480 I C 2.290 178.471 176.117 0.107 0.000 1.093 480 I CA 1.549 62.886 61.300 0.063 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 -0.154 118.554 118.700 0.012 0.000 2.104 481 N HA -0.268 4.470 4.740 -0.003 0.000 0.190 481 N C 1.944 177.650 175.510 0.326 0.000 1.024 481 N CA 1.346 54.352 53.050 -0.074 0.000 0.853 481 N CB -0.330 37.872 38.487 -0.475 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 4.373 4.527 -0.003 0.000 0.300 482 F C 2.254 178.218 175.800 0.273 0.000 1.089 482 F CA 1.243 59.430 58.000 0.313 0.000 1.282 482 F CB -0.832 38.379 39.000 0.351 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.643 115.282 114.554 0.142 0.000 2.708 483 T HA -0.187 4.162 4.350 -0.003 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 -0.062 0.000 1.146 483 T CB -0.391 68.522 68.868 0.075 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.839 119.638 118.700 0.165 0.000 2.142 484 N HA -0.016 4.722 4.740 -0.003 0.000 0.186 484 N C 1.151 176.893 175.510 0.387 0.000 1.023 484 N CA 0.623 53.835 53.050 0.270 0.000 0.852 484 N CB -0.177 38.526 38.487 0.361 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.832 120.749 119.800 0.194 0.000 2.030 488 Q HA -0.229 4.109 4.340 -0.003 0.000 0.204 488 Q C 2.051 178.152 176.000 0.169 0.000 0.986 488 Q CA 2.664 58.487 55.803 0.034 0.000 0.843 488 Q CB -0.227 28.288 28.738 -0.370 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.368 118.545 119.800 0.188 0.000 2.234 489 Q HA -0.180 4.158 4.340 -0.003 0.000 0.206 489 Q C 1.754 177.931 176.000 0.295 0.000 0.980 489 Q CA 1.359 57.291 55.803 0.213 0.000 0.869 489 Q CB -0.269 28.580 28.738 0.184 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.207 120.267 119.950 0.183 0.000 2.186 490 F HA -0.157 4.369 4.527 -0.003 0.000 0.299 490 F C 1.569 177.587 175.800 0.364 0.000 1.090 490 F CA 1.098 59.227 58.000 0.215 0.000 1.307 490 F CB -0.472 38.650 39.000 0.203 0.000 1.019 490 F HN 0.193 nan 8.300 nan 0.000 0.489 491 F N 1.323 121.318 119.950 0.075 0.000 2.074 491 F HA -0.090 4.435 4.527 -0.003 0.000 0.290 491 F C 2.127 177.921 175.800 -0.010 0.000 1.118 491 F CA 1.852 59.782 58.000 -0.116 0.000 1.199 491 F CB -1.071 37.699 39.000 -0.383 0.000 1.012 491 F HN -0.141 nan 8.300 nan 0.000 0.472 492 N N -0.358 118.411 118.700 0.116 0.000 2.242 492 N HA -0.295 4.443 4.740 -0.003 0.000 0.191 492 N C 1.640 177.258 175.510 0.180 0.000 1.005 492 N CA 1.848 54.954 53.050 0.094 0.000 0.877 492 N CB -0.662 37.963 38.487 0.229 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.261 117.843 119.070 0.056 0.000 2.329 493 H HA -0.004 4.550 4.556 -0.003 0.000 0.306 493 H C 2.107 177.499 175.328 0.106 0.000 1.062 493 H CA 1.532 57.629 56.048 0.082 0.000 1.364 493 H CB -0.224 29.566 29.762 0.047 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.336 118.750 119.070 0.026 0.000 2.426 494 H HA -0.145 4.409 4.556 -0.003 0.000 0.298 494 H C 2.198 177.422 175.328 -0.172 0.000 1.107 494 H CA 2.055 58.043 56.048 -0.100 0.000 1.298 494 H CB -0.156 29.465 29.762 -0.235 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.172 118.264 119.600 -0.273 0.000 2.288 495 M HA -0.059 4.419 4.480 -0.003 0.000 0.266 495 M C 1.696 178.009 176.300 0.022 0.000 1.072 495 M CA 1.046 56.154 55.300 -0.320 0.000 1.132 495 M CB -0.088 32.177 32.600 -0.559 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.171 120.157 119.950 0.060 0.000 2.163 496 F HA -0.118 4.408 4.527 -0.003 0.000 0.297 496 F C 1.740 177.508 175.800 -0.054 0.000 1.094 496 F CA 1.151 59.282 58.000 0.219 0.000 1.290 496 F CB -0.381 38.583 39.000 -0.059 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.726 120.572 119.914 -0.114 0.000 2.261 497 V HA -0.295 3.823 4.120 -0.003 0.000 0.246 497 V C 2.418 178.307 176.094 -0.341 0.000 1.047 497 V CA 1.964 64.079 62.300 -0.308 0.000 1.015 497 V CB -0.863 30.852 31.823 -0.180 0.000 0.642 497 V HN 0.407 nan 8.190 nan 0.000 0.446 498 L N -0.272 120.740 121.223 -0.352 0.000 1.989 498 L HA -0.177 4.162 4.340 -0.003 0.000 0.211 498 L C 2.634 179.316 176.870 -0.313 0.000 1.071 498 L CA 1.969 56.588 54.840 -0.369 0.000 0.749 498 L CB -0.688 41.089 42.059 -0.470 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.399 119.650 120.200 -0.253 0.000 2.035 499 E HA -0.354 3.994 4.350 -0.003 0.000 0.204 499 E C 2.078 178.441 176.600 -0.394 0.000 1.025 499 E CA 1.835 58.045 56.400 -0.317 0.000 0.835 499 E CB -0.517 29.140 29.700 -0.071 0.000 0.764 499 E HN 0.642 nan 8.360 nan 0.000 0.457 500 Q N 0.460 120.202 119.800 -0.097 0.000 2.376 500 Q HA -0.220 4.118 4.340 -0.003 0.000 0.211 500 Q C 1.809 177.689 176.000 -0.200 0.000 0.986 500 Q CA 1.600 57.338 55.803 -0.109 0.000 0.886 500 Q CB -0.032 28.382 28.738 -0.541 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.221 119.821 120.200 -0.263 0.000 2.076 501 E HA -0.182 4.167 4.350 -0.003 0.000 0.190 501 E C 1.699 178.162 176.600 -0.229 0.000 0.979 501 E CA 0.893 57.163 56.400 -0.217 0.000 0.807 501 E CB 0.168 29.738 29.700 -0.217 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.165 119.812 120.200 -0.371 0.000 2.012 502 E HA -0.148 4.200 4.350 -0.003 0.000 0.197 502 E C 0.067 176.517 176.600 -0.250 0.000 1.007 502 E CA 1.002 57.137 56.400 -0.441 0.000 0.816 502 E CB -0.264 28.980 29.700 -0.758 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.226 110.032 108.800 0.010 0.000 2.148 507 G HA2 -0.159 3.800 3.960 -0.003 0.000 0.157 507 G HA3 -0.159 3.800 3.960 -0.003 0.000 0.157 507 G C 0.188 175.091 174.900 0.005 0.000 1.012 507 G CA 0.063 45.168 45.100 0.008 0.000 0.677 507 G HN 0.146 nan 8.290 nan 0.000 0.506 508 I N 0.261 120.838 120.570 0.011 0.000 2.945 508 I HA 0.339 4.508 4.170 -0.003 0.000 0.292 508 I C 0.788 176.927 176.117 0.037 0.000 1.093 508 I CA -0.142 61.145 61.300 -0.021 0.000 1.336 508 I CB 0.957 38.879 38.000 -0.130 0.000 1.435 508 I HN 0.051 nan 8.210 nan 0.000 0.593 509 E N 4.406 124.636 120.200 0.050 0.000 2.267 509 E HA 0.182 4.530 4.350 -0.003 0.000 0.241 509 E C -1.590 175.149 176.600 0.233 0.000 0.950 509 E CA -0.315 56.147 56.400 0.103 0.000 0.776 509 E CB 0.764 30.508 29.700 0.074 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.417 124.668 121.300 -0.081 0.000 2.619 510 W HA 0.306 4.965 4.660 -0.003 0.000 0.327 510 W C -0.849 175.781 176.519 0.185 0.000 1.027 510 W CA -0.644 56.673 57.345 -0.046 0.000 1.233 510 W CB 1.471 30.687 29.460 -0.407 0.000 1.370 510 W HN 0.342 nan 8.180 nan 0.000 0.453 511 E N 4.604 124.593 120.200 -0.352 0.000 2.179 511 E HA 0.501 4.849 4.350 -0.003 0.000 0.275 511 E C -1.069 175.364 176.600 -0.279 0.000 0.945 511 E CA -0.598 55.643 56.400 -0.266 0.000 0.792 511 E CB 1.975 31.541 29.700 -0.224 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.144 119.611 119.950 -0.326 0.000 2.688 512 F HA 0.508 5.033 4.527 -0.003 0.000 0.308 512 F C -1.339 174.437 175.800 -0.039 0.000 1.117 512 F CA -1.230 56.622 58.000 -0.248 0.000 0.976 512 F CB 0.478 39.335 39.000 -0.238 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.498 123.044 120.570 -0.040 0.000 2.638 513 I HA 0.094 4.262 4.170 -0.003 0.000 0.286 513 I C 0.498 176.341 176.117 -0.456 0.000 1.088 513 I CA -0.053 61.148 61.300 -0.165 0.000 1.397 513 I CB 0.435 38.354 38.000 -0.136 0.000 1.414 513 I HN 0.705 nan 8.210 nan 0.000 0.566 514 D N 4.588 124.333 120.400 -1.091 0.000 2.571 514 D HA -0.142 4.496 4.640 -0.003 0.000 0.231 514 D C 0.555 176.365 176.300 -0.817 0.000 1.133 514 D CA 0.709 53.598 54.000 -1.852 0.000 0.862 514 D CB 0.542 40.605 40.800 -1.228 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.718 121.540 119.950 -0.212 0.000 2.710 515 F HA 0.154 4.679 4.527 -0.003 0.000 0.298 515 F C 2.388 178.180 175.800 -0.013 0.000 1.137 515 F CA 0.275 58.273 58.000 -0.005 0.000 1.444 515 F CB -0.224 38.825 39.000 0.082 0.000 1.111 515 F HN 0.496 nan 8.300 nan 0.000 0.580 516 G N 0.303 109.155 108.800 0.086 0.000 2.421 516 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.216 516 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.216 516 G C 1.729 176.676 174.900 0.078 0.000 1.171 516 G CA 0.855 46.025 45.100 0.116 0.000 0.775 516 G HN 0.327 nan 8.290 nan 0.000 0.543 517 M N 0.620 120.224 119.600 0.006 0.000 2.201 517 M HA -0.222 4.256 4.480 -0.003 0.000 0.251 517 M C 1.804 178.132 176.300 0.047 0.000 1.090 517 M CA 2.219 57.519 55.300 0.001 0.000 1.063 517 M CB -0.274 32.288 32.600 -0.063 0.000 1.360 517 M HN 0.147 nan 8.290 nan 0.000 0.401 518 D N -0.155 120.291 120.400 0.077 0.000 2.218 518 D HA -0.104 4.535 4.640 -0.003 0.000 0.204 518 D C 1.621 177.989 176.300 0.114 0.000 0.976 518 D CA 1.319 55.378 54.000 0.099 0.000 0.853 518 D CB 0.011 40.888 40.800 0.127 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.180 121.480 121.223 0.128 0.000 2.477 519 L HA 0.160 4.499 4.340 -0.003 0.000 0.220 519 L C 2.326 179.282 176.870 0.143 0.000 1.106 519 L CA 0.264 55.199 54.840 0.159 0.000 0.851 519 L CB -0.404 41.774 42.059 0.199 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.517 123.403 122.820 0.110 0.000 1.997 520 A HA -0.249 4.069 4.320 -0.003 0.000 0.221 520 A C 2.569 180.210 177.584 0.095 0.000 1.172 520 A CA 1.938 54.034 52.037 0.098 0.000 0.645 520 A CB -0.751 18.290 19.000 0.068 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.049 121.823 122.820 0.087 0.000 1.851 521 A HA -0.266 4.053 4.320 -0.003 0.000 0.216 521 A C 2.468 180.098 177.584 0.076 0.000 1.195 521 A CA 1.847 53.929 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 0.853 nan 8.150 nan 0.000 0.444 522 C N -0.610 118.745 119.300 0.093 0.000 2.432 522 C HA -0.080 4.379 4.460 -0.003 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 3.943 4.170 -0.003 0.000 0.241 523 I C 2.608 178.825 176.117 0.167 0.000 1.075 523 I CA 2.134 63.592 61.300 0.264 0.000 1.334 523 I CB -0.642 37.523 38.000 0.276 0.000 1.040 523 I HN 0.466 nan 8.210 nan 0.000 0.405 524 E N 0.690 120.955 120.200 0.109 0.000 2.097 524 E HA -0.299 4.050 4.350 -0.003 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 -0.713 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 4.205 4.340 -0.003 0.000 0.211 525 L C 2.195 178.924 176.870 -0.235 0.000 1.089 525 L CA 1.368 56.121 54.840 -0.145 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 4.112 4.170 -0.003 0.000 0.244 526 I C 1.349 177.283 176.117 -0.305 0.000 1.089 526 I CA 0.418 61.466 61.300 -0.420 0.000 1.410 526 I CB -0.221 37.394 38.000 -0.642 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.980 120.615 119.600 0.059 0.000 2.453 530 M HA 0.325 4.803 4.480 -0.003 0.000 0.239 530 M C 0.748 177.139 176.300 0.152 0.000 1.151 530 M CA 0.410 55.738 55.300 0.047 0.000 0.989 530 M CB 0.121 32.697 32.600 -0.039 0.000 1.548 530 M HN 0.111 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 0.359 4.317 3.960 -0.003 0.000 0.261 531 G HA3 0.359 4.317 3.960 -0.003 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 -0.154 120.295 120.570 -0.202 0.000 2.203 532 I HA -0.354 3.814 4.170 -0.003 0.000 0.237 532 I C 2.484 178.637 176.117 0.061 0.000 0.993 532 I CA 1.927 63.120 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 4.281 4.527 -0.003 0.000 0.298 533 F C 3.053 178.915 175.800 0.104 0.000 1.112 533 F CA 1.830 59.886 58.000 0.094 0.000 1.212 533 F CB -1.388 37.638 39.000 0.042 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.271 116.131 115.700 0.267 0.000 2.365 534 S HA -0.214 4.254 4.470 -0.003 0.000 0.221 534 S C 2.227 176.933 174.600 0.177 0.000 1.037 534 S CA 1.661 59.972 58.200 0.185 0.000 1.060 534 S CB -0.643 62.637 63.200 0.133 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.051 121.727 120.570 0.176 0.000 2.300 535 I HA -0.218 3.951 4.170 -0.003 0.000 0.252 535 I C 2.218 178.503 176.117 0.280 0.000 1.119 535 I CA 0.812 62.229 61.300 0.195 0.000 1.384 535 I CB -0.287 37.803 38.000 0.151 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.094 122.506 121.223 0.315 0.000 2.044 536 L HA -0.181 4.157 4.340 -0.003 0.000 0.205 536 L C 2.386 179.264 176.870 0.013 0.000 1.075 536 L CA 1.841 56.732 54.840 0.085 0.000 0.747 536 L CB -0.688 41.510 42.059 0.232 0.000 0.903 536 L HN 0.339 nan 8.230 nan 0.000 0.435 537 E N -1.506 118.765 120.200 0.119 0.000 2.502 537 E HA -0.125 4.223 4.350 -0.003 0.000 0.194 537 E C 1.519 178.179 176.600 0.100 0.000 1.062 537 E CA 0.352 56.806 56.400 0.089 0.000 0.867 537 E CB -0.044 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 1.445 121.720 120.200 0.124 0.000 2.065 538 E HA -0.129 4.219 4.350 -0.003 0.000 0.191 538 E C 1.649 178.396 176.600 0.246 0.000 0.960 538 E CA 0.288 56.793 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 0.233 120.533 120.200 0.167 0.000 2.233 539 E HA -0.208 4.140 4.350 -0.003 0.000 0.199 539 E C 1.672 178.375 176.600 0.173 0.000 1.004 539 E CA 0.917 57.401 56.400 0.140 0.000 0.819 539 E CB -0.266 29.446 29.700 0.021 0.000 0.738 539 E HN 0.244 nan 8.360 nan 0.000 0.478 540 C N -0.507 118.848 119.300 0.092 0.000 2.466 540 C HA 0.037 4.495 4.460 -0.003 0.000 0.283 540 C C 2.172 177.219 174.990 0.095 0.000 1.472 540 C CA 0.434 59.485 59.018 0.055 0.000 1.765 540 C CB -0.893 26.855 27.740 0.013 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.675 118.020 119.600 0.158 0.000 2.465 541 M HA 0.210 4.688 4.480 -0.003 0.000 0.249 541 M C -0.286 176.007 176.300 -0.011 0.000 1.130 541 M CA 0.420 55.758 55.300 0.064 0.000 1.067 541 M CB 0.223 32.840 32.600 0.029 0.000 1.394 541 M HN 0.120 nan 8.290 nan 0.000 0.483 542 F N 1.529 121.486 119.950 0.012 0.000 2.404 542 F HA 0.233 4.760 4.527 -0.000 0.000 0.359 542 F C -1.479 174.328 175.800 0.011 0.000 1.134 542 F CA -2.255 55.753 58.000 0.014 0.000 1.160 542 F CB 0.245 39.257 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 1.380 64.517 63.100 0.061 0.000 0.778 543 P CB 0.188 31.899 31.700 0.018 0.000 0.764 544 K N -1.242 119.236 120.400 0.130 0.000 3.012 544 K HA 0.436 4.754 4.320 -0.003 0.000 0.207 544 K C -0.243 176.424 176.600 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 0.401 123.294 122.820 0.121 0.000 2.264 545 A HA 0.681 4.999 4.320 -0.003 0.000 0.304 545 A C 0.024 177.642 177.584 0.057 0.000 1.100 545 A CA -0.063 52.022 52.037 0.081 0.000 0.839 545 A CB 0.851 19.902 19.000 0.085 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.156 114.429 114.554 0.051 0.000 2.916 546 T HA 0.340 4.688 4.350 -0.003 0.000 0.292 546 T C 0.168 174.918 174.700 0.083 0.000 1.064 546 T CA -0.386 61.747 62.100 0.055 0.000 1.011 546 T CB 1.474 70.373 68.868 0.050 0.000 1.152 546 T HN 0.583 nan 8.240 nan 0.000 0.510 547 D N 0.974 121.420 120.400 0.077 0.000 2.104 547 D HA -0.088 4.551 4.640 -0.003 0.000 0.194 547 D C 2.092 178.462 176.300 0.117 0.000 0.994 547 D CA 1.515 55.585 54.000 0.116 0.000 0.830 547 D CB -0.315 40.509 40.800 0.040 0.000 0.959 547 D HN 0.467 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 4.164 4.350 -0.003 0.000 0.268 548 T C 2.076 176.802 174.700 0.044 0.000 1.037 548 T CA 1.826 63.957 62.100 0.052 0.000 1.144 548 T CB -0.310 68.592 68.868 0.058 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.318 117.051 115.700 0.056 0.000 2.354 549 S HA -0.116 4.352 4.470 -0.003 0.000 0.219 549 S C 1.052 175.679 174.600 0.045 0.000 1.035 549 S CA 0.474 58.692 58.200 0.031 0.000 1.037 549 S CB -0.902 62.308 63.200 0.016 0.000 0.956 549 S HN 0.372 nan 8.310 nan 0.000 0.428 555 Y N 0.938 121.147 120.300 -0.152 0.000 2.114 555 Y HA -0.091 4.457 4.550 -0.003 0.000 0.284 555 Y C 2.206 178.034 175.900 -0.119 0.000 1.119 555 Y CA 1.713 59.786 58.100 -0.046 0.000 1.108 555 Y CB -0.673 37.814 38.460 0.046 0.000 0.995 555 Y HN 0.143 nan 8.280 nan 0.000 0.491 556 D N -0.143 120.308 120.400 0.086 0.000 2.244 556 D HA -0.246 4.392 4.640 -0.003 0.000 0.197 556 D C 1.947 178.185 176.300 -0.103 0.000 1.006 556 D CA 1.973 55.966 54.000 -0.013 0.000 0.888 556 D CB -0.140 40.640 40.800 -0.033 0.000 0.912 556 D HN 0.495 nan 8.370 nan 0.000 0.452 557 E N -1.474 118.599 120.200 -0.212 0.000 2.307 557 E HA -0.041 4.307 4.350 -0.003 0.000 0.195 557 E C 1.522 177.767 176.600 -0.591 0.000 0.975 557 E CA 0.731 56.894 56.400 -0.395 0.000 0.878 557 E CB 0.229 29.632 29.700 -0.496 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.712 118.118 119.070 -0.399 0.000 2.788 558 H HA 0.225 4.779 4.556 -0.003 0.000 0.262 558 H C 0.237 175.405 175.328 -0.266 0.000 0.968 558 H CA -0.165 55.552 56.048 -0.553 0.000 1.218 558 H CB 0.265 29.253 29.762 -1.290 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.242 122.497 121.223 0.053 0.000 2.499 559 L HA 0.161 4.499 4.340 -0.003 0.000 0.273 559 L C 1.306 178.271 176.870 0.157 0.000 1.195 559 L CA 1.120 56.159 54.840 0.331 0.000 0.882 559 L CB 0.340 42.650 42.059 0.418 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.021 111.925 108.800 0.173 0.000 2.347 560 G HA2 -0.332 3.627 3.960 -0.003 0.000 0.247 560 G HA3 -0.332 3.627 3.960 -0.003 0.000 0.247 560 G C 1.218 176.164 174.900 0.076 0.000 1.037 560 G CA 0.545 45.703 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 4.622 4.320 -0.003 0.000 0.197 561 K C 0.419 177.061 176.600 0.071 0.000 1.043 561 K CA 0.667 56.978 56.287 0.041 0.000 0.997 561 K CB 0.207 32.700 32.500 -0.011 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.044 115.818 115.700 0.124 0.000 2.532 562 S HA 0.214 4.682 4.470 -0.003 0.000 0.299 562 S C 0.224 174.936 174.600 0.186 0.000 1.105 562 S CA -0.644 57.646 58.200 0.150 0.000 1.018 562 S CB 1.775 65.071 63.200 0.160 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.747 121.527 118.700 0.134 0.000 2.250 563 N HA -0.034 4.704 4.740 -0.003 0.000 0.181 563 N C 1.028 176.613 175.510 0.124 0.000 1.017 563 N CA 0.750 53.869 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 -0.854 117.923 118.700 0.129 0.000 2.494 564 N HA -0.025 4.714 4.740 -0.003 0.000 0.182 564 N C -0.620 174.981 175.510 0.152 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 4.884 4.527 -0.002 0.000 0.345 565 F C -0.133 175.729 175.800 0.103 0.000 1.110 565 F CA -0.253 57.781 58.000 0.056 0.000 1.130 565 F CB 0.636 39.645 39.000 0.016 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 -0.439 0.000 2.482 566 Q HA 0.268 4.606 4.340 -0.003 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 2.992 31.695 28.738 -0.060 0.000 1.455 566 Q HN 0.641 nan 8.270 nan 0.000 0.398 567 K N 0.557 120.926 120.400 -0.052 0.000 2.172 567 K HA 0.576 4.894 4.320 -0.003 0.000 0.276 567 K C -2.543 174.055 176.600 -0.003 0.000 1.013 567 K CA -1.688 54.616 56.287 0.028 0.000 0.913 567 K CB 0.772 33.286 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 -0.303 62.780 63.100 -0.028 0.000 0.780 568 P CB 0.481 32.151 31.700 -0.050 0.000 0.898 569 K N 3.198 123.578 120.400 -0.033 0.000 2.250 569 K HA 0.160 4.479 4.320 -0.003 0.000 0.285 569 K C -1.607 174.974 176.600 -0.032 0.000 1.097 569 K CA -1.561 54.711 56.287 -0.026 0.000 0.913 569 K CB 0.593 33.083 32.500 -0.018 0.000 1.179 569 K HN 0.299 nan 8.250 nan 0.000 0.462 570 P HA -0.049 nan 4.420 nan 0.000 0.225 570 P C -0.290 177.001 177.300 -0.014 0.000 1.156 570 P CA 0.515 63.596 63.100 -0.032 0.000 0.787 570 P CB 0.429 32.110 31.700 -0.033 0.000 0.802 571 A N -1.164 121.650 122.820 -0.009 0.000 2.354 571 A HA 0.763 5.081 4.320 -0.003 0.000 0.321 571 A C 0.213 177.798 177.584 0.002 0.000 1.125 571 A CA -0.279 51.757 52.037 -0.001 0.000 0.799 571 A CB 1.680 20.679 19.000 -0.001 0.000 1.293 571 A HN -0.063 nan 8.150 nan 0.000 0.452 572 K N -0.979 119.425 120.400 0.007 0.000 8.038 572 K HA -0.087 4.232 4.320 -0.003 0.000 0.228 572 K C 0.899 177.509 176.600 0.016 0.000 1.590 572 K CA 0.183 56.476 56.287 0.010 0.000 0.932 572 K CB -1.040 31.466 32.500 0.009 0.000 0.482 572 K HN 1.011 nan 8.250 nan 0.000 0.444 573 G N 1.837 110.649 108.800 0.020 0.000 3.088 573 G HA2 0.138 4.096 3.960 -0.003 0.000 0.217 573 G HA3 0.138 4.096 3.960 -0.003 0.000 0.217 573 G C -0.102 174.825 174.900 0.044 0.000 1.159 573 G CA 0.077 45.194 45.100 0.029 0.000 0.760 573 G HN 0.081 nan 8.290 nan 0.000 0.550 574 K N -0.218 120.205 120.400 0.038 0.000 2.126 574 K HA 0.543 4.861 4.320 -0.003 0.000 0.257 574 K C 0.932 177.573 176.600 0.069 0.000 1.007 574 K CA 0.056 56.374 56.287 0.053 0.000 0.928 574 K CB 1.669 34.178 32.500 0.015 0.000 1.013 574 K HN 0.002 nan 8.250 nan 0.000 0.473 575 A N 1.255 124.148 122.820 0.122 0.000 2.108 575 A HA 0.084 4.403 4.320 -0.003 0.000 0.206 575 A C 0.525 178.176 177.584 0.111 0.000 1.212 575 A CA 0.691 52.809 52.037 0.135 0.000 0.843 575 A CB 0.301 19.436 19.000 0.225 0.000 0.902 575 A HN 0.800 nan 8.150 nan 0.000 0.477 576 E N -2.461 117.796 120.200 0.094 0.000 2.394 576 E HA 0.620 4.968 4.350 -0.003 0.000 0.266 576 E C -1.632 174.905 176.600 -0.106 0.000 1.065 576 E CA -0.483 55.919 56.400 0.003 0.000 0.885 576 E CB 1.472 31.183 29.700 0.018 0.000 1.659 576 E HN 0.289 nan 8.360 nan 0.000 0.462 577 A N 0.539 123.201 122.820 -0.263 0.000 2.324 577 A HA 0.671 4.990 4.320 -0.003 0.000 0.330 577 A C -0.637 176.464 177.584 -0.806 0.000 1.165 577 A CA -0.093 51.747 52.037 -0.329 0.000 0.813 577 A CB 0.611 19.487 19.000 -0.206 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.602 119.668 119.070 -0.006 0.000 1.718 578 H HA 0.157 4.712 4.556 -0.003 0.000 0.132 578 H C -0.833 174.579 175.328 0.139 0.000 1.127 578 H CA 0.988 57.062 56.048 0.043 0.000 0.969 578 H CB 0.482 30.225 29.762 -0.031 0.000 0.595 578 H HN 0.992 nan 8.280 nan 0.000 0.274 579 F N 1.373 121.331 119.950 0.014 0.000 2.680 579 F HA 0.578 5.103 4.527 -0.003 0.000 0.315 579 F C -1.594 174.182 175.800 -0.040 0.000 1.099 579 F CA -1.064 56.861 58.000 -0.126 0.000 1.033 579 F CB 1.034 39.849 39.000 -0.307 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.418 119.112 115.700 -0.010 0.000 2.593 580 S HA 0.899 5.367 4.470 -0.003 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 2.259 65.438 63.200 -0.035 0.000 1.054 580 S HN 0.747 nan 8.310 nan 0.000 0.516 581 L N 1.228 122.582 121.223 0.217 0.000 2.341 581 L HA 0.579 4.917 4.340 -0.003 0.000 0.267 581 L C -0.830 176.132 176.870 0.153 0.000 1.009 581 L CA -0.617 54.344 54.840 0.200 0.000 0.819 581 L CB 2.299 44.515 42.059 0.262 0.000 1.323 581 L HN 0.632 nan 8.230 nan 0.000 0.425 582 V N 3.032 122.988 119.914 0.070 0.000 2.217 582 V HA 0.314 4.433 4.120 -0.003 0.000 0.264 582 V C 0.147 176.291 176.094 0.085 0.000 1.107 582 V CA -0.655 61.701 62.300 0.093 0.000 0.913 582 V CB -0.366 31.503 31.823 0.077 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.682 121.833 119.070 0.136 0.000 2.544 583 H HA 0.103 4.657 4.556 -0.003 0.000 0.365 583 H C 1.192 176.474 175.328 -0.076 0.000 1.268 583 H CA 0.227 56.329 56.048 0.089 0.000 1.400 583 H CB 1.232 31.124 29.762 0.215 0.000 1.538 583 H HN 0.665 nan 8.280 nan 0.000 0.597 584 Y N -0.034 120.332 120.300 0.109 0.000 2.165 584 Y HA -0.164 4.384 4.550 -0.003 0.000 0.286 584 Y C 2.213 178.027 175.900 -0.143 0.000 1.155 584 Y CA 1.087 59.177 58.100 -0.017 0.000 1.164 584 Y CB -0.912 37.539 38.460 -0.015 0.000 0.978 584 Y HN 0.527 nan 8.280 nan 0.000 0.513 585 A N 0.518 122.742 122.820 -0.994 0.000 2.014 585 A HA 0.432 4.750 4.320 -0.003 0.000 0.218 585 A C 1.582 178.954 177.584 -0.353 0.000 1.163 585 A CA 1.326 52.902 52.037 -0.770 0.000 0.652 585 A CB -1.111 16.956 19.000 -1.555 0.000 0.808 585 A HN 0.986 nan 8.150 nan 0.000 0.449 586 G N -2.866 105.802 108.800 -0.220 0.000 2.350 586 G HA2 0.330 4.288 3.960 -0.003 0.000 0.276 586 G HA3 0.330 4.288 3.960 -0.003 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 0.201 nan 8.290 nan 0.000 0.490 587 T N 0.642 115.249 114.554 0.088 0.000 2.743 587 T HA 0.549 4.898 4.350 -0.003 0.000 0.293 587 T C -0.055 174.673 174.700 0.048 0.000 0.945 587 T CA -0.100 62.058 62.100 0.096 0.000 1.030 587 T CB 1.199 70.091 68.868 0.040 0.000 0.912 587 T HN 0.729 nan 8.240 nan 0.000 0.483 588 V N 4.430 124.376 119.914 0.053 0.000 2.417 588 V HA 0.317 4.435 4.120 -0.003 0.000 0.291 588 V C -0.132 175.720 176.094 -0.404 0.000 1.024 588 V CA -1.026 61.118 62.300 -0.261 0.000 0.861 588 V CB 1.810 33.330 31.823 -0.504 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.272 124.421 120.400 -0.419 0.000 2.347 589 D HA 0.327 4.965 4.640 -0.003 0.000 0.235 589 D C -0.932 175.076 176.300 -0.487 0.000 1.149 589 D CA 0.111 53.904 54.000 -0.346 0.000 0.850 589 D CB 1.182 41.866 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 4.718 4.550 -0.002 0.000 0.334 590 Y C 1.007 176.656 175.900 -0.418 0.000 1.067 590 Y CA -0.876 56.901 58.100 -0.538 0.000 1.128 590 Y CB 1.194 39.154 38.460 -0.833 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.958 122.600 118.700 -0.096 0.000 2.424 591 N HA 0.276 5.014 4.740 -0.003 0.000 0.271 591 N C -1.105 174.228 175.510 -0.296 0.000 0.985 591 N CA -0.305 52.749 53.050 0.007 0.000 0.921 591 N CB 0.787 39.216 38.487 -0.096 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.861 122.895 120.570 -0.894 0.000 2.261 592 I HA 0.050 4.218 4.170 -0.003 0.000 0.285 592 I C 0.198 175.819 176.117 -0.827 0.000 1.113 592 I CA -0.229 60.168 61.300 -1.505 0.000 1.377 592 I CB 0.045 37.388 38.000 -1.095 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.294 117.829 115.700 -0.276 0.000 2.652 593 S HA 0.693 5.161 4.470 -0.003 0.000 0.252 593 S C 0.280 175.052 174.600 0.286 0.000 1.219 593 S CA 0.079 58.304 58.200 0.041 0.000 1.151 593 S CB 1.282 64.533 63.200 0.085 0.000 1.080 593 S HN 0.804 nan 8.310 nan 0.000 0.481 594 G N 2.754 111.715 108.800 0.268 0.000 2.318 594 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.172 594 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.172 594 G C 0.572 175.580 174.900 0.179 0.000 1.002 594 G CA 0.083 45.307 45.100 0.207 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.780 121.989 121.300 -0.152 0.000 2.317 595 W HA 0.114 4.772 4.660 -0.003 0.000 0.318 595 W C 2.394 178.652 176.519 -0.435 0.000 1.227 595 W CA 1.490 58.621 57.345 -0.357 0.000 1.269 595 W CB -1.308 28.001 29.460 -0.252 0.000 1.155 595 W HN 0.279 nan 8.180 nan 0.000 0.484 596 L N 0.191 121.365 121.223 -0.080 0.000 1.997 596 L HA -0.195 4.143 4.340 -0.003 0.000 0.216 596 L C 1.688 178.485 176.870 -0.122 0.000 1.074 596 L CA 1.738 56.482 54.840 -0.161 0.000 0.763 596 L CB -1.276 40.720 42.059 -0.105 0.000 0.890 596 L HN -0.081 nan 8.230 nan 0.000 0.434 602 P HA 0.368 nan 4.420 nan 0.000 0.271 602 P C -0.871 176.452 177.300 0.037 0.000 1.233 602 P CA -0.373 62.751 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 2.994 124.236 121.223 0.032 0.000 2.436 603 L HA 0.316 4.654 4.340 -0.003 0.000 0.268 603 L C 0.105 176.951 176.870 -0.039 0.000 0.974 603 L CA -0.839 54.002 54.840 0.002 0.000 0.826 603 L CB 1.680 43.736 42.059 -0.004 0.000 1.291 603 L HN 0.317 nan 8.230 nan 0.000 0.406 604 N N 2.170 120.828 118.700 -0.070 0.000 2.406 604 N HA -0.031 4.707 4.740 -0.003 0.000 0.274 604 N C 0.621 176.042 175.510 -0.148 0.000 1.249 604 N CA 0.480 53.471 53.050 -0.098 0.000 0.951 604 N CB 0.495 38.922 38.487 -0.101 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.612 121.748 120.200 -0.107 0.000 2.333 605 E HA -0.138 4.211 4.350 -0.003 0.000 0.198 605 E C 0.916 177.432 176.600 -0.141 0.000 1.007 605 E CA 1.324 57.656 56.400 -0.112 0.000 0.845 605 E CB 0.174 29.849 29.700 -0.040 0.000 0.766 605 E HN 0.665 nan 8.360 nan 0.000 0.507 606 T N 0.104 114.580 114.554 -0.130 0.000 2.737 606 T HA -0.122 4.227 4.350 -0.003 0.000 0.265 606 T C 2.047 176.631 174.700 -0.193 0.000 1.038 606 T CA 1.144 63.171 62.100 -0.122 0.000 1.144 606 T CB -0.157 68.660 68.868 -0.085 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.179 121.934 119.914 -0.265 0.000 2.287 607 V HA -0.158 3.960 4.120 -0.003 0.000 0.248 607 V C 2.490 178.131 176.094 -0.756 0.000 1.053 607 V CA 1.419 63.459 62.300 -0.434 0.000 1.027 607 V CB -0.754 30.806 31.823 -0.438 0.000 0.646 607 V HN 0.495 nan 8.190 nan 0.000 0.447 608 I N 1.004 121.127 120.570 -0.747 0.000 2.315 608 I HA -0.230 3.938 4.170 -0.003 0.000 0.251 608 I C 2.565 178.412 176.117 -0.450 0.000 1.125 608 I CA 1.782 62.585 61.300 -0.829 0.000 1.392 608 I CB -1.363 36.309 38.000 -0.547 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.584 110.209 108.800 -0.292 0.000 2.459 609 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.217 609 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.217 609 G C 1.531 176.368 174.900 -0.105 0.000 1.183 609 G CA 0.447 45.464 45.100 -0.138 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.007 121.144 121.223 -0.143 0.000 2.043 610 L HA -0.088 4.251 4.340 -0.003 0.000 0.212 610 L C 2.719 179.633 176.870 0.075 0.000 1.075 610 L CA 0.919 55.736 54.840 -0.039 0.000 0.752 610 L CB -1.347 40.691 42.059 -0.034 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.252 119.979 120.300 -0.115 0.000 2.128 611 Y HA -0.153 4.395 4.550 -0.003 0.000 0.284 611 Y C 1.914 177.792 175.900 -0.037 0.000 1.154 611 Y CA -0.140 57.896 58.100 -0.107 0.000 1.149 611 Y CB -1.169 37.117 38.460 -0.291 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.612 116.316 115.700 0.006 0.000 2.528 615 S HA 0.253 4.722 4.470 -0.003 0.000 0.219 615 S C 0.725 175.311 174.600 -0.023 0.000 0.985 615 S CA 0.121 58.319 58.200 -0.003 0.000 0.914 615 S CB -0.119 63.081 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 0.269 4.607 4.340 -0.003 0.000 0.210 619 L C 2.519 179.362 176.870 -0.045 0.000 1.076 619 L CA 2.728 57.459 54.840 -0.181 0.000 0.749 619 L CB -0.951 41.011 42.059 -0.163 0.000 0.893 619 L HN 0.389 nan 8.230 nan 0.000 0.432 620 A N -0.668 122.129 122.820 -0.038 0.000 1.883 620 A HA -0.209 4.109 4.320 -0.003 0.000 0.217 620 A C 2.239 179.847 177.584 0.040 0.000 1.186 620 A CA 2.062 54.122 52.037 0.039 0.000 0.624 620 A CB -0.971 18.039 19.000 0.016 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.961 120.224 121.223 -0.063 0.000 1.970 621 L HA -0.194 4.145 4.340 -0.003 0.000 0.212 621 L C 2.333 179.166 176.870 -0.061 0.000 1.071 621 L CA 1.592 56.385 54.840 -0.077 0.000 0.751 621 L CB -0.672 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 -1.585 119.521 121.223 -0.194 0.000 2.171 622 L HA -0.294 4.045 4.340 -0.003 0.000 0.216 622 L C 2.159 178.970 176.870 -0.099 0.000 1.084 622 L CA 1.898 56.600 54.840 -0.230 0.000 0.771 622 L CB -0.895 40.944 42.059 -0.366 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.683 118.341 119.950 0.124 0.000 2.698 623 F HA 0.128 4.653 4.527 -0.004 0.000 0.295 623 F C 2.190 178.170 175.800 0.300 0.000 1.124 623 F CA 0.466 58.634 58.000 0.280 0.000 1.426 623 F CB -0.544 38.570 39.000 0.190 0.000 1.120 623 F HN 0.015 nan 8.300 nan 0.000 0.583 624 A N -0.028 122.961 122.820 0.282 0.000 1.909 624 A HA -0.393 3.926 4.320 -0.003 0.000 0.221 624 A C 2.337 180.007 177.584 0.145 0.000 1.223 624 A CA 2.842 54.982 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 -2.487 112.122 114.554 0.091 0.000 2.833 625 T HA -0.172 4.176 4.350 -0.003 0.000 0.269 625 T C 1.681 176.341 174.700 -0.067 0.000 1.054 625 T CA 1.797 63.872 62.100 -0.041 0.000 1.135 625 T CB -0.490 68.295 68.868 -0.138 0.000 0.869 625 T HN 0.547 nan 8.240 nan 0.000 0.466 626 Y N 1.224 121.617 120.300 0.155 0.000 2.163 626 Y HA 0.177 4.726 4.550 -0.003 0.000 0.288 626 Y C 2.992 178.957 175.900 0.107 0.000 1.136 626 Y CA 0.990 59.191 58.100 0.168 0.000 1.147 626 Y CB -0.981 37.643 38.460 0.274 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.435 108.530 108.800 0.275 0.000 2.432 627 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.219 627 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.219 627 G C 1.931 176.885 174.900 0.089 0.000 1.135 627 G CA 0.935 46.127 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.121 108.961 108.800 0.066 0.000 2.511 628 G HA2 0.049 4.007 3.960 -0.003 0.000 0.217 628 G HA3 0.049 4.007 3.960 -0.003 0.000 0.217 628 G C 1.471 176.374 174.900 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 0.238 4.586 4.350 -0.003 0.000 0.195 629 E C 2.608 179.215 176.600 0.011 0.000 1.028 629 E CA 0.234 56.622 56.400 -0.020 0.000 0.876 629 E CB 0.214 29.879 29.700 -0.059 0.000 0.885 629 E HN 0.359 nan 8.360 nan 0.000 0.500 630 A N 1.720 124.563 122.820 0.037 0.000 2.024 630 A HA -0.260 4.058 4.320 -0.003 0.000 0.220 630 A C 1.865 179.460 177.584 0.019 0.000 1.164 630 A CA 1.310 53.370 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 -0.706 119.501 120.200 0.011 0.000 2.097 631 E HA -0.187 4.162 4.350 -0.003 0.000 0.196 631 E C 2.065 178.664 176.600 -0.002 0.000 1.000 631 E CA 0.985 57.387 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 0.436 109.232 108.800 -0.006 0.000 2.471 632 G HA2 -0.119 3.839 3.960 -0.003 0.000 0.219 632 G HA3 -0.119 3.839 3.960 -0.003 0.000 0.219 632 G C 1.048 175.943 174.900 -0.007 0.000 1.125 632 G CA 0.690 45.783 45.100 -0.011 0.000 0.775 632 G HN 0.330 nan 8.290 nan 0.000 0.548 633 G N -0.270 108.531 108.800 0.001 0.000 4.637 633 G HA2 0.434 4.392 3.960 -0.003 0.000 0.294 633 G HA3 0.434 4.392 3.960 -0.003 0.000 0.294 633 G C 1.086 175.990 174.900 0.006 0.000 1.215 633 G CA 0.647 45.750 45.100 0.004 0.000 0.943 633 G HN 0.333 nan 8.290 nan 0.000 0.572 634 G N 0.678 109.479 108.800 0.001 0.000 2.446 634 G HA2 0.233 4.192 3.960 -0.003 0.000 0.217 634 G HA3 0.233 4.192 3.960 -0.003 0.000 0.217 634 G C 0.938 175.837 174.900 -0.001 0.000 1.168 634 G CA 0.941 46.042 45.100 0.001 0.000 0.771 634 G HN 0.726 nan 8.290 nan 0.000 0.551 635 G N -0.825 107.972 108.800 -0.005 0.000 2.471 635 G HA2 0.522 4.480 3.960 -0.003 0.000 0.332 635 G HA3 0.522 4.480 3.960 -0.003 0.000 0.332 635 G C -0.559 174.336 174.900 -0.009 0.000 1.176 635 G CA -0.864 44.232 45.100 -0.007 0.000 0.949 635 G HN 0.251 nan 8.290 nan 0.000 0.488 636 K N 1.393 121.787 120.400 -0.009 0.000 2.511 636 K HA 0.220 4.538 4.320 -0.003 0.000 0.280 636 K C -0.053 176.535 176.600 -0.020 0.000 1.008 636 K CA 0.825 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 0.657 nan 8.250 nan 0.000 0.484 637 K N -0.329 120.057 120.400 -0.023 0.000 7.478 637 K HA -0.114 4.204 4.320 -0.003 0.000 1.018 637 K C 0.168 176.740 176.600 -0.047 0.000 1.997 637 K CA -0.010 56.251 56.287 -0.044 0.000 1.165 637 K CB -1.238 31.229 32.500 -0.056 0.000 2.198 637 K HN 0.978 nan 8.250 nan 0.000 0.323 638 G N -0.935 107.828 108.800 -0.062 0.000 2.482 638 G HA2 0.264 4.222 3.960 -0.003 0.000 0.214 638 G HA3 0.264 4.222 3.960 -0.003 0.000 0.214 638 G C -0.309 174.568 174.900 -0.038 0.000 1.271 638 G CA 0.042 45.111 45.100 -0.053 0.000 0.944 638 G HN 1.270 nan 8.290 nan 0.000 0.568 639 G N -0.620 108.166 108.800 -0.024 0.000 2.644 639 G HA2 0.614 4.572 3.960 -0.003 0.000 0.300 639 G HA3 0.614 4.572 3.960 -0.003 0.000 0.300 639 G C 0.477 175.374 174.900 -0.005 0.000 1.395 639 G CA 0.345 45.438 45.100 -0.012 0.000 0.964 639 G HN 0.697 nan 8.290 nan 0.000 0.511 640 K N 1.316 121.720 120.400 0.008 0.000 2.211 640 K HA -0.067 4.252 4.320 -0.003 0.000 0.203 640 K C 2.044 178.632 176.600 -0.020 0.000 1.050 640 K CA 0.835 57.129 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 1.131 121.513 120.400 -0.030 0.000 2.283 641 K HA -0.096 4.222 4.320 -0.003 0.000 0.202 641 K C 1.679 178.244 176.600 -0.058 0.000 1.048 641 K CA 0.939 57.189 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 0.114 nan 8.250 nan 0.000 0.458 642 K N -0.054 120.323 120.400 -0.038 0.000 2.160 642 K HA -0.142 4.177 4.320 -0.003 0.000 0.206 642 K C 1.846 178.424 176.600 -0.036 0.000 1.047 642 K CA 1.396 57.664 56.287 -0.032 0.000 0.930 642 K CB -0.065 32.422 32.500 -0.022 0.000 0.720 642 K HN 0.273 nan 8.250 nan 0.000 0.450 643 G N -0.465 108.310 108.800 -0.041 0.000 3.377 643 G HA2 0.056 4.014 3.960 -0.003 0.000 0.257 643 G HA3 0.056 4.014 3.960 -0.003 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 -1.233 114.402 115.700 -0.108 0.000 2.872 644 S HA -0.210 4.258 4.470 -0.003 0.000 0.270 644 S C 0.452 174.880 174.600 -0.287 0.000 1.345 644 S CA 0.432 58.519 58.200 -0.189 0.000 1.080 644 S CB -2.676 60.427 63.200 -0.162 0.000 1.328 644 S HN 1.637 nan 8.310 nan 0.000 0.692 645 S N 0.834 116.416 115.700 -0.196 0.000 2.586 645 S HA 0.763 5.231 4.470 -0.003 0.000 0.274 645 S C 0.050 174.537 174.600 -0.189 0.000 1.281 645 S CA -0.828 57.272 58.200 -0.166 0.000 1.035 645 S CB 0.214 63.426 63.200 0.019 0.000 0.962 645 S HN 0.376 nan 8.310 nan 0.000 0.512 646 F N 1.471 121.424 119.950 0.004 0.000 2.518 646 F HA 0.209 4.735 4.527 -0.001 0.000 0.359 646 F C 1.834 177.651 175.800 0.029 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 4.442 4.340 -0.003 0.000 0.219 647 Q C 0.371 176.441 176.000 0.116 0.000 0.895 647 Q CA 0.403 56.278 55.803 0.118 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 -0.795 113.846 114.554 0.144 0.000 2.900 648 T HA 0.245 4.593 4.350 -0.003 0.000 0.295 648 T C 0.117 174.870 174.700 0.088 0.000 1.044 648 T CA -0.494 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 3.487 123.420 119.914 0.032 0.000 3.592 649 V HA 0.090 4.209 4.120 -0.003 0.000 0.272 649 V C 1.468 177.639 176.094 0.129 0.000 1.228 649 V CA 1.916 64.244 62.300 0.047 0.000 1.173 649 V CB -0.471 31.339 31.823 -0.022 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.528 113.226 115.700 0.090 0.000 2.546 650 S HA 0.243 4.711 4.470 -0.003 0.000 0.282 650 S C 1.770 176.355 174.600 -0.026 0.000 1.074 650 S CA 0.523 58.713 58.200 -0.017 0.000 1.254 650 S CB 0.204 63.292 63.200 -0.188 0.000 1.103 650 S HN 0.372 nan 8.310 nan 0.000 0.589 651 A N 2.279 125.133 122.820 0.057 0.000 1.940 651 A HA 0.145 4.464 4.320 -0.003 0.000 0.219 651 A C 2.049 179.709 177.584 0.127 0.000 1.176 651 A CA 1.630 53.725 52.037 0.095 0.000 0.631 651 A CB -0.785 18.310 19.000 0.157 0.000 0.814 651 A HN 0.496 nan 8.150 nan 0.000 0.446 652 L N -2.626 118.708 121.223 0.185 0.000 2.071 652 L HA 0.004 4.342 4.340 -0.003 0.000 0.201 652 L C 2.300 179.263 176.870 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 4.127 4.527 -0.003 0.000 0.294 653 F C 2.580 178.401 175.800 0.035 0.000 1.078 653 F CA 1.965 59.972 58.000 0.013 0.000 1.247 653 F CB -0.438 38.514 39.000 -0.080 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.084 120.277 120.500 -0.231 0.000 2.070 654 R HA -0.178 4.160 4.340 -0.003 0.000 0.233 654 R C 2.274 178.490 176.300 -0.140 0.000 1.137 654 R CA 1.798 57.768 56.100 -0.218 0.000 0.945 654 R CB -0.730 29.543 30.300 -0.045 0.000 0.845 654 R HN 0.403 nan 8.270 nan 0.000 0.430 655 E N 0.293 120.471 120.200 -0.037 0.000 2.118 655 E HA -0.199 4.149 4.350 -0.003 0.000 0.195 655 E C 1.472 178.070 176.600 -0.002 0.000 0.992 655 E CA 1.616 58.018 56.400 0.003 0.000 0.804 655 E CB 0.027 29.760 29.700 0.054 0.000 0.741 655 E HN 0.375 nan 8.360 nan 0.000 0.458 656 N N -0.413 118.294 118.700 0.013 0.000 2.135 656 N HA -0.122 4.616 4.740 -0.003 0.000 0.186 656 N C 1.611 177.105 175.510 -0.026 0.000 1.027 656 N CA 0.493 53.594 53.050 0.085 0.000 0.849 656 N CB -0.048 38.583 38.487 0.241 0.000 1.002 656 N HN 0.071 nan 8.380 nan 0.000 0.425 657 L N 1.204 122.281 121.223 -0.243 0.000 2.450 657 L HA 0.053 4.391 4.340 -0.003 0.000 0.224 657 L C -0.105 176.599 176.870 -0.278 0.000 1.149 657 L CA 1.195 55.791 54.840 -0.405 0.000 0.816 657 L CB -0.699 40.960 42.059 -0.668 0.000 0.932 657 L HN 0.066 nan 8.230 nan 0.000 0.449 661 M N 0.894 120.303 119.600 -0.319 0.000 2.435 661 M HA 0.019 4.497 4.480 -0.003 0.000 0.262 661 M C 1.954 178.097 176.300 -0.260 0.000 1.065 661 M CA 1.637 56.724 55.300 -0.356 0.000 1.076 661 M CB -1.272 31.139 32.600 -0.314 0.000 1.403 661 M HN 0.569 nan 8.290 nan 0.000 0.454 662 A N -0.229 122.500 122.820 -0.152 0.000 1.943 662 A HA -0.045 4.273 4.320 -0.003 0.000 0.213 662 A C 2.006 179.584 177.584 -0.010 0.000 1.181 662 A CA 0.928 52.927 52.037 -0.064 0.000 0.653 662 A CB -0.356 18.630 19.000 -0.023 0.000 0.833 662 A HN 0.380 nan 8.150 nan 0.000 0.451 663 N N -0.164 118.534 118.700 -0.003 0.000 2.270 663 N HA -0.054 4.684 4.740 -0.003 0.000 0.181 663 N C 1.386 176.988 175.510 0.153 0.000 1.016 663 N CA 0.754 53.892 53.050 0.146 0.000 0.870 663 N CB -0.235 38.371 38.487 0.199 0.000 0.979 663 N HN 0.276 nan 8.380 nan 0.000 0.431 664 L N 1.469 122.644 121.223 -0.080 0.000 2.141 664 L HA 0.009 4.347 4.340 -0.003 0.000 0.209 664 L C 2.167 179.001 176.870 -0.061 0.000 1.094 664 L CA 1.188 55.914 54.840 -0.190 0.000 0.763 664 L CB -0.348 41.330 42.059 -0.635 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.004 119.478 120.500 -0.029 0.000 2.062 665 R HA -0.006 4.332 4.340 -0.003 0.000 0.229 665 R C 1.585 177.974 176.300 0.148 0.000 1.128 665 R CA 1.355 57.536 56.100 0.134 0.000 0.960 665 R CB -0.507 29.841 30.300 0.080 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 0.122 0.000 3.009 666 S HA 0.061 4.529 4.470 -0.003 0.000 0.243 666 S C 0.044 174.690 174.600 0.076 0.000 1.012 666 S CA 0.089 58.357 58.200 0.113 0.000 1.113 666 S CB 0.031 63.321 63.200 0.150 0.000 0.827 666 S HN 0.089 nan 8.310 nan 0.000 0.495 667 T N 1.202 115.810 114.554 0.090 0.000 2.906 667 T HA 0.270 4.618 4.350 -0.003 0.000 0.295 667 T C -0.921 173.830 174.700 0.085 0.000 1.061 667 T CA -0.663 61.463 62.100 0.043 0.000 1.000 667 T CB 1.427 70.351 68.868 0.094 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.908 122.902 119.070 -0.126 0.000 2.872 668 H HA 0.281 4.835 4.556 -0.003 0.000 0.273 668 H C -2.355 172.729 175.328 -0.407 0.000 1.205 668 H CA -2.549 53.354 56.048 -0.243 0.000 1.342 668 H CB 0.547 30.144 29.762 -0.275 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.012 nan 4.420 nan 0.000 0.267 669 P C -0.882 175.798 177.300 -1.034 0.000 1.205 669 P CA 0.496 63.200 63.100 -0.660 0.000 0.765 669 P CB 0.650 31.866 31.700 -0.808 0.000 0.828 670 H N 2.869 121.567 119.070 -0.620 0.000 2.727 670 H HA 0.340 4.894 4.556 -0.003 0.000 0.330 670 H C -0.472 174.656 175.328 -0.334 0.000 0.986 670 H CA -0.304 55.512 56.048 -0.386 0.000 1.251 670 H CB 0.623 30.246 29.762 -0.231 0.000 1.493 670 H HN 0.281 nan 8.280 nan 0.000 0.515 671 F N 1.904 121.983 119.950 0.215 0.000 2.421 671 F HA 0.418 4.943 4.527 -0.003 0.000 0.337 671 F C 0.311 176.279 175.800 0.281 0.000 1.105 671 F CA -0.772 57.393 58.000 0.276 0.000 1.049 671 F CB 1.588 40.826 39.000 0.398 0.000 1.139 671 F HN 0.089 nan 8.300 nan 0.000 0.479 672 V N 3.969 124.119 119.914 0.392 0.000 2.524 672 V HA 0.518 4.636 4.120 -0.003 0.000 0.297 672 V C -0.735 175.446 176.094 0.145 0.000 1.035 672 V CA -0.897 61.545 62.300 0.237 0.000 0.867 672 V CB 1.661 33.566 31.823 0.136 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 0.058 0.000 2.288 673 R HA 0.554 4.892 4.340 -0.003 0.000 0.326 673 R C -0.793 175.482 176.300 -0.043 0.000 0.959 673 R CA -0.686 55.367 56.100 -0.078 0.000 0.834 673 R CB 1.128 31.235 30.300 -0.321 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.367 123.650 119.300 -0.027 0.000 2.369 674 C HA 0.574 5.032 4.460 -0.003 0.000 0.358 674 C C 0.750 175.704 174.990 -0.060 0.000 1.274 674 C CA -0.612 58.393 59.018 -0.022 0.000 1.935 674 C CB -0.263 27.480 27.740 0.005 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.231 123.746 120.570 -0.091 0.000 2.740 675 I HA 0.517 4.686 4.170 -0.003 0.000 0.303 675 I C -0.257 175.773 176.117 -0.145 0.000 1.044 675 I CA -0.314 60.914 61.300 -0.121 0.000 1.064 675 I CB 1.473 39.377 38.000 -0.159 0.000 1.249 675 I HN 0.577 nan 8.210 nan 0.000 0.433 676 I N 7.494 127.998 120.570 -0.110 0.000 2.420 676 I HA 0.361 4.529 4.170 -0.003 0.000 0.282 676 I C -1.916 174.161 176.117 -0.067 0.000 1.019 676 I CA -2.351 58.904 61.300 -0.076 0.000 1.130 676 I CB 2.062 40.071 38.000 0.015 0.000 1.262 676 I HN 0.379 nan 8.210 nan 0.000 0.454 677 P HA -0.105 nan 4.420 nan 0.000 0.211 677 P C -0.822 176.503 177.300 0.041 0.000 1.179 677 P CA 1.300 64.346 63.100 -0.091 0.000 0.910 677 P CB -0.072 31.581 31.700 -0.079 0.000 0.785 678 N N -2.433 116.363 118.700 0.159 0.000 2.287 678 N HA 0.193 4.931 4.740 -0.003 0.000 0.289 678 N C 0.164 175.738 175.510 0.107 0.000 1.066 678 N CA -0.781 52.337 53.050 0.113 0.000 0.841 678 N CB 1.040 39.593 38.487 0.110 0.000 1.599 678 N HN -0.187 nan 8.380 nan 0.000 0.476 679 E N -0.118 120.111 120.200 0.048 0.000 2.219 679 E HA -0.170 4.179 4.350 -0.003 0.000 0.198 679 E C 0.572 177.163 176.600 -0.015 0.000 0.998 679 E CA 1.617 58.031 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 1.099 178.546 177.300 0.244 0.000 1.230 683 P CA 0.652 63.988 63.100 0.392 0.000 0.788 683 P CB 0.277 32.196 31.700 0.365 0.000 0.949 684 G N -0.409 108.349 108.800 -0.071 0.000 2.187 684 G HA2 -0.055 3.903 3.960 -0.003 0.000 0.261 684 G HA3 -0.055 3.903 3.960 -0.003 0.000 0.261 684 G C 0.264 175.030 174.900 -0.225 0.000 1.000 684 G CA 0.367 45.083 45.100 -0.640 0.000 0.718 684 G HN 0.900 nan 8.290 nan 0.000 0.519 685 A N -1.241 121.712 122.820 0.220 0.000 2.430 685 A HA 0.990 5.309 4.320 -0.003 0.000 0.300 685 A C -0.447 177.325 177.584 0.313 0.000 1.124 685 A CA -0.058 52.121 52.037 0.235 0.000 0.766 685 A CB 1.861 20.943 19.000 0.136 0.000 1.328 685 A HN 1.342 nan 8.150 nan 0.000 0.424 686 M N 1.105 120.789 119.600 0.142 0.000 2.255 686 M HA 0.328 4.806 4.480 -0.003 0.000 0.275 686 M C -1.509 174.806 176.300 0.025 0.000 1.050 686 M CA 0.083 55.424 55.300 0.069 0.000 0.978 686 M CB 1.717 34.353 32.600 0.061 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.098 123.303 120.200 0.009 0.000 2.331 687 E HA 0.202 4.550 4.350 -0.003 0.000 0.272 687 E C -0.031 176.606 176.600 0.062 0.000 1.036 687 E CA -0.350 56.031 56.400 -0.032 0.000 0.864 687 E CB 0.975 30.656 29.700 -0.032 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.940 120.965 119.070 -0.074 0.000 2.312 688 H HA -0.155 4.400 4.556 -0.003 0.000 0.299 688 H C 1.948 177.249 175.328 -0.045 0.000 1.051 688 H CA 0.979 56.973 56.048 -0.089 0.000 1.227 688 H CB 0.192 29.900 29.762 -0.091 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.336 121.625 120.200 0.149 0.000 2.273 689 E HA -0.206 4.143 4.350 -0.003 0.000 0.198 689 E C 2.206 178.896 176.600 0.151 0.000 1.002 689 E CA 0.880 57.352 56.400 0.121 0.000 0.828 689 E CB -0.114 29.643 29.700 0.096 0.000 0.747 689 E HN 0.377 nan 8.360 nan 0.000 0.491 690 L N 0.074 121.346 121.223 0.081 0.000 2.044 690 L HA -0.130 4.209 4.340 -0.003 0.000 0.205 690 L C 2.319 179.222 176.870 0.054 0.000 1.075 690 L CA 1.066 55.935 54.840 0.047 0.000 0.747 690 L CB -0.133 41.931 42.059 0.007 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.011 119.936 119.914 0.020 0.000 2.427 691 V HA -0.258 3.860 4.120 -0.003 0.000 0.248 691 V C 2.553 178.633 176.094 -0.024 0.000 1.051 691 V CA 1.767 64.049 62.300 -0.031 0.000 1.048 691 V CB -0.602 31.172 31.823 -0.081 0.000 0.666 691 V HN 0.425 nan 8.190 nan 0.000 0.456 692 L N -0.731 120.492 121.223 -0.001 0.000 2.013 692 L HA -0.262 4.076 4.340 -0.003 0.000 0.212 692 L C 2.584 179.420 176.870 -0.057 0.000 1.073 692 L CA 2.003 56.826 54.840 -0.028 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 -0.235 4.319 4.556 -0.003 0.000 0.294 693 H C 2.422 177.715 175.328 -0.059 0.000 1.078 693 H CA 2.228 58.249 56.048 -0.045 0.000 1.246 693 H CB -0.121 29.618 29.762 -0.038 0.000 1.358 693 H HN 0.348 nan 8.280 nan 0.000 0.488 694 Q N -0.341 119.510 119.800 0.085 0.000 2.112 694 Q HA -0.192 4.146 4.340 -0.003 0.000 0.206 694 Q C 2.259 178.216 176.000 -0.072 0.000 0.987 694 Q CA 1.499 57.302 55.803 0.000 0.000 0.858 694 Q CB -0.353 28.369 28.738 -0.026 0.000 0.905 694 Q HN 0.319 nan 8.270 nan 0.000 0.420 695 L N 0.932 122.100 121.223 -0.092 0.000 2.127 695 L HA -0.190 4.148 4.340 -0.003 0.000 0.211 695 L C 2.400 179.191 176.870 -0.131 0.000 1.089 695 L CA 1.762 56.523 54.840 -0.131 0.000 0.757 695 L CB -0.420 41.567 42.059 -0.120 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.088 118.341 120.500 -0.119 0.000 2.075 696 R HA -0.028 4.311 4.340 -0.003 0.000 0.226 696 R C 2.135 178.398 176.300 -0.061 0.000 1.114 696 R CA 1.495 57.532 56.100 -0.106 0.000 0.972 696 R CB -0.856 29.352 30.300 -0.154 0.000 0.869 696 R HN 0.326 nan 8.270 nan 0.000 0.437 697 C N 0.677 119.933 119.300 -0.074 0.000 2.539 697 C HA 0.104 4.562 4.460 -0.003 0.000 0.268 697 C C 1.963 176.959 174.990 0.011 0.000 1.395 697 C CA 0.033 59.025 59.018 -0.045 0.000 1.757 697 C CB -1.447 26.286 27.740 -0.012 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.210 118.852 118.700 -0.098 0.000 2.173 698 N HA 0.104 4.842 4.740 -0.003 0.000 0.184 698 N C 1.668 176.960 175.510 -0.363 0.000 1.025 698 N CA 1.289 54.204 53.050 -0.226 0.000 0.852 698 N CB 0.026 38.301 38.487 -0.353 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.728 107.862 108.800 -0.350 0.000 2.255 699 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.196 699 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.196 699 G C 0.854 175.603 174.900 -0.252 0.000 0.998 699 G CA 0.174 45.040 45.100 -0.389 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.753 120.432 119.914 -0.393 0.000 2.287 700 V HA -0.112 4.006 4.120 -0.003 0.000 0.248 700 V C 2.697 178.798 176.094 0.012 0.000 1.053 700 V CA 2.318 64.535 62.300 -0.139 0.000 1.027 700 V CB -0.307 31.359 31.823 -0.261 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.668 120.516 121.223 -0.065 0.000 2.376 701 L HA -0.013 4.326 4.340 -0.003 0.000 0.219 701 L C 2.259 179.115 176.870 -0.023 0.000 1.133 701 L CA 1.536 56.349 54.840 -0.045 0.000 0.816 701 L CB -0.790 41.229 42.059 -0.066 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.124 119.065 120.200 -0.019 0.000 2.318 702 E HA 0.008 4.356 4.350 -0.003 0.000 0.193 702 E C 1.962 178.576 176.600 0.024 0.000 0.998 702 E CA 0.693 57.086 56.400 -0.013 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 0.729 109.597 108.800 0.112 0.000 2.464 703 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.217 703 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.217 703 G C 1.484 176.392 174.900 0.015 0.000 1.138 703 G CA 0.038 45.224 45.100 0.143 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.333 120.912 120.570 0.016 0.000 2.286 704 I HA 0.112 4.280 4.170 -0.003 0.000 0.245 704 I C 2.696 178.776 176.117 -0.061 0.000 1.104 704 I CA 0.518 61.803 61.300 -0.026 0.000 1.397 704 I CB -0.331 37.654 38.000 -0.024 0.000 1.072 704 I HN -0.028 nan 8.210 nan 0.000 0.417 705 R N 0.437 120.903 120.500 -0.057 0.000 2.103 705 R HA -0.134 4.204 4.340 -0.003 0.000 0.234 705 R C 2.263 178.497 176.300 -0.110 0.000 1.132 705 R CA 1.840 57.901 56.100 -0.065 0.000 0.925 705 R CB -0.611 29.663 30.300 -0.044 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.319 120.134 120.570 -0.195 0.000 2.423 706 I HA -0.383 3.785 4.170 -0.003 0.000 0.254 706 I C 2.190 178.127 176.117 -0.300 0.000 1.151 706 I CA 0.830 61.885 61.300 -0.409 0.000 1.421 706 I CB -0.223 37.371 38.000 -0.676 0.000 1.079 706 I HN 0.370 nan 8.210 nan 0.000 0.431 707 C N 0.581 119.774 119.300 -0.179 0.000 2.500 707 C HA -0.110 4.348 4.460 -0.003 0.000 0.279 707 C C 2.815 177.758 174.990 -0.078 0.000 1.288 707 C CA 0.682 59.637 59.018 -0.105 0.000 1.710 707 C CB -0.887 26.808 27.740 -0.074 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.830 121.275 120.500 -0.093 0.000 2.369 708 R HA -0.011 4.327 4.340 -0.003 0.000 0.200 708 R C 0.929 177.169 176.300 -0.100 0.000 1.046 708 R CA 1.039 57.077 56.100 -0.103 0.000 1.057 708 R CB -0.390 29.846 30.300 -0.105 0.000 0.888 708 R HN 0.435 nan 8.270 nan 0.000 0.474 709 K N 0.399 120.757 120.400 -0.070 0.000 2.570 709 K HA 0.216 4.534 4.320 -0.003 0.000 0.210 709 K C -0.058 176.526 176.600 -0.026 0.000 1.048 709 K CA 0.047 56.336 56.287 0.003 0.000 1.167 709 K CB 1.360 33.922 32.500 0.103 0.000 0.892 709 K HN 0.469 nan 8.250 nan 0.000 0.480 710 G N 0.057 108.713 108.800 -0.241 0.000 2.725 710 G HA2 0.169 4.127 3.960 -0.003 0.000 0.098 710 G HA3 0.169 4.127 3.960 -0.003 0.000 0.098 710 G C -1.580 172.904 174.900 -0.693 0.000 1.188 710 G CA -0.707 44.141 45.100 -0.420 0.000 1.237 710 G HN 0.069 nan 8.290 nan 0.000 0.596 711 F N 2.820 122.722 119.950 -0.080 0.000 2.363 711 F HA 0.447 4.972 4.527 -0.003 0.000 0.366 711 F C -1.532 174.290 175.800 0.038 0.000 1.083 711 F CA -1.601 56.403 58.000 0.007 0.000 1.176 711 F CB 2.089 41.187 39.000 0.163 0.000 1.432 711 F HN 0.083 nan 8.300 nan 0.000 0.482 712 P HA -0.136 nan 4.420 nan 0.000 0.203 712 P C 0.111 177.384 177.300 -0.045 0.000 0.967 712 P CA 0.991 64.068 63.100 -0.038 0.000 0.946 712 P CB -0.264 31.367 31.700 -0.116 0.000 0.690 713 S N 1.269 116.926 115.700 -0.071 0.000 2.544 713 S HA 0.127 4.595 4.470 -0.003 0.000 0.290 713 S C 0.342 174.897 174.600 -0.075 0.000 1.276 713 S CA -0.229 57.911 58.200 -0.101 0.000 1.075 713 S CB -0.524 62.599 63.200 -0.129 0.000 0.849 713 S HN 0.180 nan 8.310 nan 0.000 0.494 714 R N 1.343 121.720 120.500 -0.204 0.000 2.473 714 R HA 0.526 4.864 4.340 -0.003 0.000 0.303 714 R C -1.674 174.483 176.300 -0.240 0.000 1.002 714 R CA -0.821 55.018 56.100 -0.435 0.000 0.884 714 R CB 0.787 30.495 30.300 -0.985 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.482 124.324 119.914 -0.120 0.000 2.465 715 V HA 0.220 4.338 4.120 -0.003 0.000 0.279 715 V C 0.368 176.362 176.094 -0.167 0.000 1.045 715 V CA -0.838 61.466 62.300 0.007 0.000 0.938 715 V CB 1.502 33.486 31.823 0.268 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.448 125.645 121.223 -0.043 0.000 2.380 716 L HA 0.258 4.596 4.340 -0.003 0.000 0.273 716 L C 0.865 177.784 176.870 0.082 0.000 1.138 716 L CA 0.233 55.048 54.840 -0.042 0.000 0.832 716 L CB 0.577 42.665 42.059 0.048 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.309 123.680 120.300 0.119 0.000 2.062 717 Y HA -0.378 4.170 4.550 -0.003 0.000 0.276 717 Y C 2.228 178.240 175.900 0.186 0.000 1.189 717 Y CA 2.100 60.294 58.100 0.156 0.000 1.130 717 Y CB -0.862 37.658 38.460 0.100 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.170 122.815 122.820 0.274 0.000 1.898 718 A HA -0.190 4.129 4.320 -0.003 0.000 0.216 718 A C 1.814 179.473 177.584 0.125 0.000 1.181 718 A CA 1.910 54.035 52.037 0.147 0.000 0.620 718 A CB -0.928 18.129 19.000 0.096 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.793 118.697 120.400 0.149 0.000 2.311 719 D HA -0.096 4.542 4.640 -0.003 0.000 0.212 719 D C 1.295 177.698 176.300 0.173 0.000 0.972 719 D CA 0.987 55.058 54.000 0.119 0.000 0.887 719 D CB -0.157 40.719 40.800 0.126 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.464 120.487 119.950 0.122 0.000 2.446 720 F HA 0.191 4.716 4.527 -0.003 0.000 0.292 720 F C 1.910 177.830 175.800 0.199 0.000 1.096 720 F CA 0.565 58.680 58.000 0.192 0.000 1.438 720 F CB 0.208 39.316 39.000 0.180 0.000 1.107 720 F HN -0.305 nan 8.300 nan 0.000 0.546 721 K N 0.407 120.900 120.400 0.155 0.000 1.963 721 K HA -0.269 4.049 4.320 -0.003 0.000 0.216 721 K C 2.170 178.701 176.600 -0.115 0.000 1.045 721 K CA 1.897 58.181 56.287 -0.005 0.000 0.954 721 K CB -0.529 31.920 32.500 -0.085 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 -0.114 0.000 2.045 722 Q HA -0.309 4.029 4.340 -0.003 0.000 0.215 722 Q C 2.056 177.944 176.000 -0.187 0.000 1.026 722 Q CA 2.293 58.021 55.803 -0.124 0.000 0.885 722 Q CB -0.225 28.457 28.738 -0.093 0.000 0.984 722 Q HN 0.177 nan 8.270 nan 0.000 0.414 723 R N -1.392 118.945 120.500 -0.273 0.000 2.152 723 R HA -0.126 4.212 4.340 -0.003 0.000 0.232 723 R C 0.927 176.764 176.300 -0.772 0.000 1.117 723 R CA 1.600 57.375 56.100 -0.542 0.000 0.981 723 R CB 0.096 29.969 30.300 -0.711 0.000 0.870 723 R HN 0.525 nan 8.270 nan 0.000 0.451 724 Y N -1.801 118.273 120.300 -0.378 0.000 2.527 724 Y HA 0.233 4.781 4.550 -0.003 0.000 0.247 724 Y C 1.821 177.586 175.900 -0.224 0.000 1.138 724 Y CA -0.510 57.368 58.100 -0.369 0.000 1.228 724 Y CB 0.123 38.197 38.460 -0.644 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.689 121.163 120.500 -0.044 0.000 2.134 725 R HA -0.210 4.128 4.340 -0.003 0.000 0.248 725 R C 1.578 177.908 176.300 0.051 0.000 1.143 725 R CA 2.275 58.394 56.100 0.032 0.000 0.957 725 R CB -0.602 29.736 30.300 0.062 0.000 0.867 725 R HN 0.212 nan 8.270 nan 0.000 0.441 726 V N 1.367 121.289 119.914 0.012 0.000 2.764 726 V HA -0.254 3.864 4.120 -0.003 0.000 0.261 726 V C 2.166 178.272 176.094 0.020 0.000 1.108 726 V CA 1.518 63.822 62.300 0.007 0.000 1.129 726 V CB -0.469 31.332 31.823 -0.037 0.000 0.701 726 V HN 0.333 nan 8.190 nan 0.000 0.495 727 L N -0.619 120.626 121.223 0.037 0.000 2.179 727 L HA 0.025 4.363 4.340 -0.003 0.000 0.208 727 L C 1.633 178.535 176.870 0.054 0.000 1.096 727 L CA 1.472 56.341 54.840 0.049 0.000 0.779 727 L CB -0.116 41.985 42.059 0.070 0.000 0.922 727 L HN 0.370 nan 8.230 nan 0.000 0.443 728 N N -1.286 117.453 118.700 0.064 0.000 2.595 728 N HA 0.149 4.887 4.740 -0.003 0.000 0.291 728 N C 1.102 176.655 175.510 0.073 0.000 1.706 728 N CA 0.546 53.636 53.050 0.067 0.000 0.867 728 N CB 0.689 39.224 38.487 0.080 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.746 123.604 122.820 0.065 0.000 1.836 729 A HA -0.418 3.900 4.320 -0.003 0.000 0.269 729 A C 2.214 179.849 177.584 0.085 0.000 2.597 729 A CA 3.121 55.199 52.037 0.069 0.000 0.810 729 A CB -1.384 17.642 19.000 0.044 0.000 0.833 729 A HN 0.609 nan 8.150 nan 0.000 0.542 730 S N -0.410 115.328 115.700 0.062 0.000 2.348 730 S HA 0.097 4.565 4.470 -0.003 0.000 0.221 730 S C 2.102 176.749 174.600 0.079 0.000 1.033 730 S CA 1.845 60.077 58.200 0.053 0.000 1.010 730 S CB -0.918 62.302 63.200 0.035 0.000 0.891 730 S HN 1.508 nan 8.310 nan 0.000 0.442 731 A N 0.866 123.737 122.820 0.085 0.000 2.072 731 A HA 0.387 4.705 4.320 -0.003 0.000 0.216 731 A C 2.127 179.788 177.584 0.127 0.000 1.156 731 A CA 0.541 52.636 52.037 0.096 0.000 0.701 731 A CB -0.540 18.512 19.000 0.086 0.000 0.816 731 A HN 0.560 nan 8.150 nan 0.000 0.458 732 I N -0.019 120.634 120.570 0.138 0.000 2.585 732 I HA -0.039 4.129 4.170 -0.003 0.000 0.254 732 I C -0.736 175.500 176.117 0.200 0.000 1.129 732 I CA 0.437 61.831 61.300 0.158 0.000 1.455 732 I CB -0.743 37.338 38.000 0.135 0.000 1.111 732 I HN 0.170 nan 8.210 nan 0.000 0.433 733 P HA -0.136 nan 4.420 nan 0.000 0.216 733 P C 1.282 179.068 177.300 0.809 0.000 1.153 733 P CA 1.463 64.936 63.100 0.622 0.000 0.844 733 P CB -0.035 31.963 31.700 0.498 0.000 0.787 734 E N -0.287 120.138 120.200 0.375 0.000 2.085 734 E HA -0.132 4.216 4.350 -0.003 0.000 0.194 734 E C 2.356 179.114 176.600 0.263 0.000 0.994 734 E CA 1.406 57.967 56.400 0.267 0.000 0.801 734 E CB -0.954 28.820 29.700 0.124 0.000 0.743 734 E HN 0.260 nan 8.360 nan 0.000 0.453 735 G N 1.113 110.032 108.800 0.198 0.000 2.421 735 G HA2 -0.304 3.655 3.960 -0.003 0.000 0.216 735 G HA3 -0.304 3.655 3.960 -0.003 0.000 0.216 735 G C 1.437 176.393 174.900 0.093 0.000 1.171 735 G CA 0.645 45.821 45.100 0.127 0.000 0.775 735 G HN 0.197 nan 8.290 nan 0.000 0.543 736 Q N -0.633 119.205 119.800 0.062 0.000 2.119 736 Q HA -0.011 4.328 4.340 -0.003 0.000 0.201 736 Q C 2.313 178.193 176.000 -0.200 0.000 0.972 736 Q CA 1.059 56.793 55.803 -0.116 0.000 0.847 736 Q CB -0.193 28.358 28.738 -0.312 0.000 0.903 736 Q HN 0.598 nan 8.270 nan 0.000 0.433 737 F N -0.302 119.673 119.950 0.042 0.000 2.234 737 F HA -0.076 4.450 4.527 -0.003 0.000 0.296 737 F C 2.190 178.001 175.800 0.018 0.000 1.089 737 F CA 0.594 58.612 58.000 0.029 0.000 1.343 737 F CB -0.128 38.886 39.000 0.024 0.000 1.040 737 F HN 0.042 nan 8.300 nan 0.000 0.498 738 M N -0.725 119.000 119.600 0.209 0.000 2.254 738 M HA -0.004 4.474 4.480 -0.003 0.000 0.265 738 M C -0.275 176.055 176.300 0.050 0.000 1.066 738 M CA 1.219 56.586 55.300 0.111 0.000 1.123 738 M CB -0.873 31.784 32.600 0.095 0.000 1.388 738 M HN 0.014 nan 8.290 nan 0.000 0.425 739 D N -0.840 119.574 120.400 0.023 0.000 2.613 739 D HA 0.171 4.809 4.640 -0.003 0.000 0.230 739 D C 0.500 176.762 176.300 -0.064 0.000 1.365 739 D CA -0.005 53.980 54.000 -0.025 0.000 0.976 739 D CB 1.151 41.917 40.800 -0.057 0.000 1.415 739 D HN -0.082 nan 8.370 nan 0.000 0.589 740 S N 3.626 119.294 115.700 -0.054 0.000 2.409 740 S HA -0.297 4.171 4.470 -0.003 0.000 0.237 740 S C 1.520 176.035 174.600 -0.141 0.000 1.060 740 S CA 2.450 60.615 58.200 -0.057 0.000 1.052 740 S CB 0.041 63.234 63.200 -0.012 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.258 120.484 120.400 -0.290 0.000 2.161 741 K HA 0.177 4.496 4.320 -0.003 0.000 0.205 741 K C 2.242 178.528 176.600 -0.523 0.000 1.035 741 K CA 0.594 56.418 56.287 -0.772 0.000 0.970 741 K CB -0.551 31.540 32.500 -0.682 0.000 0.866 741 K HN 0.167 nan 8.250 nan 0.000 0.461 742 K N 0.568 120.800 120.400 -0.281 0.000 2.228 742 K HA -0.211 4.107 4.320 -0.003 0.000 0.205 742 K C 1.825 178.376 176.600 -0.083 0.000 1.045 742 K CA 1.333 57.520 56.287 -0.166 0.000 0.931 742 K CB -0.257 32.182 32.500 -0.102 0.000 0.727 742 K HN 0.359 nan 8.250 nan 0.000 0.458 743 A N 0.762 123.548 122.820 -0.058 0.000 1.834 743 A HA -0.186 4.133 4.320 -0.003 0.000 0.216 743 A C 2.129 179.787 177.584 0.123 0.000 1.203 743 A CA 2.285 54.344 52.037 0.037 0.000 0.621 743 A CB -1.025 17.988 19.000 0.022 0.000 0.841 743 A HN 0.418 nan 8.150 nan 0.000 0.446 744 S N 0.016 115.829 115.700 0.188 0.000 2.407 744 S HA -0.233 4.235 4.470 -0.003 0.000 0.235 744 S C 1.832 176.643 174.600 0.351 0.000 1.036 744 S CA 1.482 59.920 58.200 0.398 0.000 1.013 744 S CB -0.433 63.094 63.200 0.546 0.000 0.820 744 S HN 0.582 nan 8.310 nan 0.000 0.476 745 E N 1.244 121.583 120.200 0.232 0.000 2.001 745 E HA -0.166 4.182 4.350 -0.003 0.000 0.195 745 E C 2.178 178.881 176.600 0.171 0.000 1.002 745 E CA 1.203 57.705 56.400 0.169 0.000 0.819 745 E CB -0.258 29.354 29.700 -0.147 0.000 0.769 745 E HN 0.283 nan 8.360 nan 0.000 0.454 746 K N 0.960 121.417 120.400 0.095 0.000 2.089 746 K HA -0.172 4.146 4.320 -0.003 0.000 0.210 746 K C 2.272 178.967 176.600 0.159 0.000 1.048 746 K CA 1.017 57.367 56.287 0.105 0.000 0.926 746 K CB -0.593 31.954 32.500 0.078 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.108 121.449 121.223 0.197 0.000 1.990 747 L HA -0.216 4.123 4.340 -0.003 0.000 0.213 747 L C 1.759 178.749 176.870 0.201 0.000 1.072 747 L CA 1.392 56.358 54.840 0.210 0.000 0.755 747 L CB -0.236 41.982 42.059 0.265 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.057 121.413 121.223 0.221 0.000 2.651 748 L HA -0.151 4.187 4.340 -0.003 0.000 0.236 748 L C 2.366 179.366 176.870 0.217 0.000 1.173 748 L CA 1.055 55.971 54.840 0.126 0.000 0.843 748 L CB -1.168 40.864 42.059 -0.045 0.000 0.964 748 L HN 0.364 nan 8.230 nan 0.000 0.454 749 G N -0.386 108.565 108.800 0.251 0.000 2.513 749 G HA2 -0.177 3.782 3.960 -0.003 0.000 0.219 749 G HA3 -0.177 3.782 3.960 -0.003 0.000 0.219 749 G C 0.969 176.045 174.900 0.293 0.000 1.160 749 G CA 0.724 45.984 45.100 0.266 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.673 107.250 108.800 0.206 0.000 2.547 750 G HA2 0.620 4.578 3.960 -0.003 0.000 0.291 750 G HA3 0.620 4.578 3.960 -0.003 0.000 0.291 750 G C 0.180 175.184 174.900 0.172 0.000 1.211 750 G CA 0.206 45.412 45.100 0.178 0.000 0.950 750 G HN 1.476 nan 8.290 nan 0.000 0.504 751 G N -0.678 108.212 108.800 0.150 0.000 2.770 751 G HA2 0.164 4.122 3.960 -0.003 0.000 0.686 751 G HA3 0.164 4.122 3.960 -0.003 0.000 0.686 751 G C -0.252 174.754 174.900 0.175 0.000 1.180 751 G CA 0.213 45.386 45.100 0.123 0.000 0.767 751 G HN 1.139 nan 8.290 nan 0.000 0.646 752 D N -0.083 120.394 120.400 0.129 0.000 2.870 752 D HA 0.339 4.977 4.640 -0.003 0.000 0.241 752 D C 1.083 177.472 176.300 0.149 0.000 1.234 752 D CA 0.302 54.386 54.000 0.139 0.000 0.844 752 D CB -0.039 40.817 40.800 0.093 0.000 1.051 752 D HN 0.751 nan 8.370 nan 0.000 0.469 753 V N -1.791 118.228 119.914 0.176 0.000 2.644 753 V HA 0.291 4.409 4.120 -0.003 0.000 0.295 753 V C 0.737 176.984 176.094 0.255 0.000 1.053 753 V CA -1.126 61.257 62.300 0.138 0.000 0.987 753 V CB 1.457 33.285 31.823 0.007 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.654 122.186 120.400 0.220 0.000 2.349 754 D HA 0.056 4.695 4.640 -0.003 0.000 0.266 754 D C 0.469 176.970 176.300 0.334 0.000 1.293 754 D CA 0.223 54.373 54.000 0.250 0.000 0.926 754 D CB 0.468 41.362 40.800 0.157 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.076 120.256 119.070 0.183 0.000 2.556 755 H HA 0.011 4.565 4.556 -0.003 0.000 0.273 755 H C 1.478 176.531 175.328 -0.458 0.000 1.030 755 H CA 0.412 56.488 56.048 0.047 0.000 1.156 755 H CB 0.336 30.188 29.762 0.150 0.000 1.326 755 H HN 0.258 nan 8.280 nan 0.000 0.609 756 T N -0.224 114.243 114.554 -0.146 0.000 2.914 756 T HA -0.092 4.256 4.350 -0.003 0.000 0.240 756 T C 1.791 176.401 174.700 -0.150 0.000 1.025 756 T CA 0.247 62.258 62.100 -0.148 0.000 1.198 756 T CB 0.033 68.895 68.868 -0.010 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.213 121.035 119.800 0.038 0.000 2.480 757 Q HA -0.144 4.194 4.340 -0.003 0.000 0.217 757 Q C 0.260 176.438 176.000 0.297 0.000 0.993 757 Q CA 1.291 57.211 55.803 0.196 0.000 0.908 757 Q CB -0.870 28.002 28.738 0.223 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.470 117.773 120.300 -0.094 0.000 2.686 758 Y HA 0.805 5.354 4.550 -0.003 0.000 0.330 758 Y C -0.558 174.962 175.900 -0.632 0.000 1.082 758 Y CA -2.006 55.804 58.100 -0.483 0.000 1.158 758 Y CB 1.043 38.932 38.460 -0.952 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.760 123.151 122.820 -0.715 0.000 2.565 759 A HA 0.645 4.964 4.320 -0.003 0.000 0.298 759 A C -2.089 175.219 177.584 -0.459 0.000 1.062 759 A CA -0.792 50.895 52.037 -0.585 0.000 0.723 759 A CB 0.146 18.733 19.000 -0.688 0.000 1.282 759 A HN 0.561 nan 8.150 nan 0.000 0.400 760 F N 0.976 120.835 119.950 -0.152 0.000 2.450 760 F HA 0.889 5.414 4.527 -0.003 0.000 0.328 760 F C 1.094 176.889 175.800 -0.008 0.000 1.068 760 F CA -0.035 57.951 58.000 -0.024 0.000 1.007 760 F CB 2.080 41.133 39.000 0.088 0.000 1.251 760 F HN 0.971 nan 8.300 nan 0.000 0.492 761 G N -1.575 107.419 108.800 0.323 0.000 2.601 761 G HA2 0.283 4.241 3.960 -0.003 0.000 0.291 761 G HA3 0.283 4.241 3.960 -0.003 0.000 0.291 761 G C -0.345 174.746 174.900 0.318 0.000 1.456 761 G CA -0.688 44.519 45.100 0.178 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.784 118.388 119.070 0.170 0.000 2.456 762 H HA -0.161 4.393 4.556 -0.003 0.000 0.288 762 H C 1.172 176.638 175.328 0.229 0.000 1.130 762 H CA 1.556 57.703 56.048 0.164 0.000 1.173 762 H CB -0.237 29.578 29.762 0.087 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.690 122.224 119.950 -0.693 0.000 2.480 766 F HA 0.906 5.431 4.527 -0.003 0.000 0.329 766 F C -0.275 175.215 175.800 -0.516 0.000 1.091 766 F CA -0.588 57.135 58.000 -0.461 0.000 0.972 766 F CB 1.708 40.443 39.000 -0.443 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N 0.417 109.141 108.800 -0.127 0.000 2.187 770 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.261 770 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.261 770 G C 0.800 175.671 174.900 -0.050 0.000 1.000 770 G CA 1.175 46.194 45.100 -0.134 0.000 0.718 770 G HN 1.597 nan 8.290 nan 0.000 0.519 771 L N -0.967 120.228 121.223 -0.046 0.000 2.185 771 L HA 0.464 4.803 4.340 -0.003 0.000 0.198 771 L C 2.607 179.464 176.870 -0.023 0.000 1.079 771 L CA 1.373 56.209 54.840 -0.007 0.000 0.780 771 L CB -0.408 41.674 42.059 0.038 0.000 0.955 771 L HN 0.161 nan 8.230 nan 0.000 0.462 772 L N 0.360 121.518 121.223 -0.107 0.000 2.129 772 L HA -0.150 4.189 4.340 -0.003 0.000 0.212 772 L C 2.382 179.221 176.870 -0.053 0.000 1.087 772 L CA 2.004 56.751 54.840 -0.156 0.000 0.757 772 L CB -1.558 40.245 42.059 -0.427 0.000 0.896 772 L HN 0.422 nan 8.230 nan 0.000 0.434 773 G N -1.338 107.453 108.800 -0.015 0.000 2.418 773 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.217 773 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.217 773 G C 1.681 176.646 174.900 0.107 0.000 1.158 773 G CA 0.769 45.930 45.100 0.101 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.267 121.004 121.223 0.079 0.000 2.027 774 L HA 0.043 4.381 4.340 -0.003 0.000 0.206 774 L C 2.723 179.630 176.870 0.062 0.000 1.074 774 L CA 0.883 55.770 54.840 0.078 0.000 0.745 774 L CB -0.421 41.671 42.059 0.056 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.542 120.708 121.223 0.044 0.000 1.951 775 L HA -0.297 4.042 4.340 -0.003 0.000 0.222 775 L C 2.603 179.502 176.870 0.050 0.000 1.078 775 L CA 1.771 56.635 54.840 0.041 0.000 0.778 775 L CB -1.299 40.777 42.059 0.027 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.375 119.862 120.200 0.062 0.000 2.136 776 E HA -0.324 4.024 4.350 -0.003 0.000 0.208 776 E C 2.107 178.744 176.600 0.062 0.000 1.035 776 E CA 1.745 58.185 56.400 0.066 0.000 0.838 776 E CB -0.320 29.432 29.700 0.087 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.167 120.415 120.200 0.081 0.000 2.049 777 E HA -0.223 4.125 4.350 -0.003 0.000 0.198 777 E C 2.228 178.855 176.600 0.045 0.000 1.007 777 E CA 1.605 58.053 56.400 0.080 0.000 0.809 777 E CB -0.165 29.592 29.700 0.095 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.243 119.867 119.600 0.040 0.000 2.108 778 M HA -0.189 4.289 4.480 -0.003 0.000 0.261 778 M C 2.715 179.028 176.300 0.022 0.000 1.066 778 M CA 1.773 57.089 55.300 0.027 0.000 1.107 778 M CB -0.382 32.235 32.600 0.029 0.000 1.356 778 M HN 0.123 nan 8.290 nan 0.000 0.406 779 R N 0.637 121.153 120.500 0.027 0.000 2.083 779 R HA -0.193 4.146 4.340 -0.003 0.000 0.237 779 R C 1.548 177.857 176.300 0.015 0.000 1.137 779 R CA 2.122 58.234 56.100 0.021 0.000 0.951 779 R CB -0.358 29.957 30.300 0.025 0.000 0.851 779 R HN 0.281 nan 8.270 nan 0.000 0.434 780 D N 0.871 121.283 120.400 0.021 0.000 2.126 780 D HA -0.138 4.500 4.640 -0.003 0.000 0.190 780 D C 0.273 176.574 176.300 0.002 0.000 1.001 780 D CA 1.292 55.301 54.000 0.015 0.000 0.841 780 D CB -0.576 40.245 40.800 0.035 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.197 123.011 122.820 -0.011 0.000 1.892 784 A HA -0.214 4.104 4.320 -0.003 0.000 0.218 784 A C 1.899 179.476 177.584 -0.012 0.000 1.188 784 A CA 2.213 54.242 52.037 -0.014 0.000 0.631 784 A CB -0.393 18.596 19.000 -0.018 0.000 0.822 784 A HN 0.363 nan 8.150 nan 0.000 0.447 785 E N -0.645 119.548 120.200 -0.011 0.000 2.492 785 E HA -0.104 4.244 4.350 -0.003 0.000 0.204 785 E C 1.272 177.868 176.600 -0.008 0.000 1.073 785 E CA 0.641 57.035 56.400 -0.009 0.000 0.887 785 E CB -0.227 29.469 29.700 -0.007 0.000 0.813 785 E HN 0.748 nan 8.360 nan 0.000 0.562 786 I N -1.598 118.967 120.570 -0.009 0.000 3.744 786 I HA -0.031 4.137 4.170 -0.003 0.000 0.240 786 I C 1.926 178.037 176.117 -0.009 0.000 1.096 786 I CA -0.192 61.103 61.300 -0.008 0.000 1.558 786 I CB -0.169 37.826 38.000 -0.008 0.000 1.531 786 I HN 0.017 nan 8.210 nan 0.000 0.459 787 I N 1.350 121.914 120.570 -0.009 0.000 2.074 787 I HA -0.413 3.755 4.170 -0.003 0.000 0.238 787 I C 2.498 178.610 176.117 -0.007 0.000 1.037 787 I CA 2.234 63.529 61.300 -0.008 0.000 1.301 787 I CB -0.427 37.568 38.000 -0.008 0.000 1.016 787 I HN 0.350 nan 8.210 nan 0.000 0.400 788 T N 0.769 115.320 114.554 -0.006 0.000 2.684 788 T HA -0.322 4.026 4.350 -0.003 0.000 0.267 788 T C 1.794 176.493 174.700 -0.003 0.000 1.032 788 T CA 1.880 63.977 62.100 -0.004 0.000 1.155 788 T CB -0.440 68.424 68.868 -0.005 0.000 0.857 788 T HN 0.592 nan 8.240 nan 0.000 0.457 789 A N 0.559 123.376 122.820 -0.005 0.000 1.929 789 A HA -0.052 4.267 4.320 -0.003 0.000 0.216 789 A C 2.528 180.108 177.584 -0.005 0.000 1.176 789 A CA 1.810 53.844 52.037 -0.005 0.000 0.628 789 A CB -0.844 18.152 19.000 -0.006 0.000 0.816 789 A HN 0.473 nan 8.150 nan 0.000 0.444 790 T N -0.094 114.455 114.554 -0.009 0.000 3.055 790 T HA -0.056 4.292 4.350 -0.003 0.000 0.265 790 T C 1.947 176.641 174.700 -0.010 0.000 1.111 790 T CA 1.166 63.257 62.100 -0.014 0.000 1.118 790 T CB -0.091 68.766 68.868 -0.018 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.937 120.735 119.800 -0.003 0.000 1.969 791 Q HA 0.005 4.343 4.340 -0.003 0.000 0.198 791 Q C 2.836 178.845 176.000 0.014 0.000 0.978 791 Q CA 1.256 57.062 55.803 0.004 0.000 0.830 791 Q CB -0.438 28.303 28.738 0.005 0.000 0.896 791 Q HN 0.497 nan 8.270 nan 0.000 0.431 792 A N 1.937 124.765 122.820 0.013 0.000 1.887 792 A HA -0.391 3.928 4.320 -0.003 0.000 0.225 792 A C 2.051 179.657 177.584 0.036 0.000 1.464 792 A CA 2.697 54.746 52.037 0.020 0.000 0.717 792 A CB -0.979 18.028 19.000 0.012 0.000 0.848 792 A HN 0.319 nan 8.150 nan 0.000 0.477 793 R N -0.144 120.373 120.500 0.029 0.000 2.112 793 R HA -0.196 4.142 4.340 -0.003 0.000 0.242 793 R C 2.077 178.432 176.300 0.090 0.000 1.137 793 R CA 2.572 58.699 56.100 0.044 0.000 0.944 793 R CB -1.758 28.547 30.300 0.007 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.343 119.673 119.300 0.049 0.000 2.359 794 C HA -0.129 4.330 4.460 -0.003 0.000 0.277 794 C C 2.626 177.724 174.990 0.180 0.000 1.192 794 C CA 1.364 60.433 59.018 0.086 0.000 1.759 794 C CB -1.113 26.644 27.740 0.029 0.000 2.038 794 C HN 0.546 nan 8.230 nan 0.000 0.448 795 R N 0.602 121.163 120.500 0.102 0.000 2.115 795 R HA -0.151 4.187 4.340 -0.003 0.000 0.239 795 R C 2.423 178.777 176.300 0.091 0.000 1.133 795 R CA 2.102 58.251 56.100 0.082 0.000 0.935 795 R CB -1.303 29.025 30.300 0.047 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.129 109.983 108.800 0.090 0.000 2.679 796 G HA2 -0.355 3.604 3.960 -0.003 0.000 0.217 796 G HA3 -0.355 3.604 3.960 -0.003 0.000 0.217 796 G C 1.256 176.217 174.900 0.102 0.000 1.267 796 G CA 1.016 46.161 45.100 0.076 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 -0.168 4.358 4.527 -0.003 0.000 0.301 797 F C 2.307 178.109 175.800 0.003 0.000 1.071 797 F CA 1.521 59.519 58.000 -0.003 0.000 1.289 797 F CB -0.216 38.783 39.000 -0.001 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 4.117 4.340 -0.003 0.000 0.208 798 L C 2.470 179.263 176.870 -0.129 0.000 1.077 798 L CA 1.856 56.694 54.840 -0.003 0.000 0.747 798 L CB -0.771 41.356 42.059 0.114 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.883 117.676 119.600 -0.069 0.000 2.349 799 M HA -0.148 4.330 4.480 -0.003 0.000 0.266 799 M C 2.241 178.487 176.300 -0.090 0.000 1.076 799 M CA 0.892 56.157 55.300 -0.058 0.000 1.126 799 M CB -0.171 32.418 32.600 -0.017 0.000 1.392 799 M HN 0.146 nan 8.290 nan 0.000 0.440 800 R N -0.356 120.050 120.500 -0.157 0.000 2.200 800 R HA -0.108 4.230 4.340 -0.003 0.000 0.234 800 R C 1.679 177.867 176.300 -0.187 0.000 1.127 800 R CA 0.936 56.935 56.100 -0.168 0.000 0.989 800 R CB -0.013 30.179 30.300 -0.180 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.243 119.499 119.914 -0.288 0.000 3.174 801 V HA -0.045 4.073 4.120 -0.003 0.000 0.254 801 V C 1.854 177.885 176.094 -0.105 0.000 1.120 801 V CA 0.879 63.037 62.300 -0.237 0.000 1.114 801 V CB 0.102 31.724 31.823 -0.335 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.100 120.054 120.200 -0.076 0.000 2.072 802 E HA -0.169 4.179 4.350 -0.003 0.000 0.190 802 E C 1.962 178.571 176.600 0.014 0.000 0.982 802 E CA 1.151 57.531 56.400 -0.032 0.000 0.803 802 E CB -0.310 29.376 29.700 -0.024 0.000 0.755 802 E HN 0.688 nan 8.360 nan 0.000 0.453 803 Y N 1.275 121.522 120.300 -0.089 0.000 2.165 803 Y HA -0.208 4.340 4.550 -0.003 0.000 0.286 803 Y C 2.444 178.303 175.900 -0.068 0.000 1.155 803 Y CA 2.031 60.088 58.100 -0.071 0.000 1.164 803 Y CB -0.034 38.389 38.460 -0.062 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.323 120.237 120.500 0.100 0.000 2.200 804 R HA -0.143 4.195 4.340 -0.003 0.000 0.234 804 R C 2.122 178.398 176.300 -0.040 0.000 1.127 804 R CA 1.041 57.158 56.100 0.029 0.000 0.989 804 R CB -0.290 30.015 30.300 0.009 0.000 0.869 804 R HN 0.478 nan 8.270 nan 0.000 0.459 805 A N -0.187 122.597 122.820 -0.060 0.000 1.887 805 A HA -0.008 4.310 4.320 -0.003 0.000 0.210 805 A C 1.999 179.514 177.584 -0.116 0.000 1.221 805 A CA 0.512 52.505 52.037 -0.074 0.000 0.635 805 A CB -0.249 18.714 19.000 -0.062 0.000 0.881 805 A HN 0.177 nan 8.150 nan 0.000 0.456 806 M N -0.293 119.218 119.600 -0.149 0.000 2.088 806 M HA -0.213 4.265 4.480 -0.003 0.000 0.256 806 M C 2.112 178.260 176.300 -0.253 0.000 1.071 806 M CA 1.885 57.060 55.300 -0.207 0.000 1.097 806 M CB -0.729 31.714 32.600 -0.262 0.000 1.315 806 M HN 0.233 nan 8.290 nan 0.000 0.406 807 V N 0.220 119.930 119.914 -0.339 0.000 2.287 807 V HA -0.280 3.838 4.120 -0.003 0.000 0.248 807 V C 2.145 178.148 176.094 -0.152 0.000 1.053 807 V CA 2.098 64.225 62.300 -0.287 0.000 1.027 807 V CB -0.691 30.975 31.823 -0.262 0.000 0.646 807 V HN 0.472 nan 8.190 nan 0.000 0.447 808 E N -0.289 119.848 120.200 -0.105 0.000 2.033 808 E HA -0.280 4.069 4.350 -0.003 0.000 0.199 808 E C 2.459 179.009 176.600 -0.084 0.000 1.011 808 E CA 1.689 58.048 56.400 -0.069 0.000 0.815 808 E CB -0.232 29.437 29.700 -0.052 0.000 0.755 808 E HN 0.459 nan 8.360 nan 0.000 0.451 809 R N 0.411 120.845 120.500 -0.109 0.000 2.154 809 R HA -0.193 4.145 4.340 -0.003 0.000 0.248 809 R C 2.368 178.562 176.300 -0.176 0.000 1.155 809 R CA 0.991 57.014 56.100 -0.129 0.000 0.979 809 R CB -0.280 29.931 30.300 -0.148 0.000 0.869 809 R HN 0.129 nan 8.270 nan 0.000 0.452 810 R N 1.159 121.538 120.500 -0.203 0.000 2.227 810 R HA -0.283 4.055 4.340 -0.003 0.000 0.246 810 R C 2.105 178.203 176.300 -0.335 0.000 1.119 810 R CA 2.599 58.535 56.100 -0.274 0.000 0.930 810 R CB -0.354 29.847 30.300 -0.166 0.000 0.912 810 R HN 0.579 nan 8.270 nan 0.000 0.435 811 E N -1.262 118.879 120.200 -0.097 0.000 2.086 811 E HA -0.019 4.329 4.350 -0.003 0.000 0.190 811 E C 1.891 178.504 176.600 0.022 0.000 0.975 811 E CA 0.915 57.356 56.400 0.069 0.000 0.813 811 E CB -0.334 29.465 29.700 0.165 0.000 0.768 811 E HN 0.092 nan 8.360 nan 0.000 0.457 812 S N 1.025 116.707 115.700 -0.029 0.000 2.440 812 S HA -0.126 4.343 4.470 -0.003 0.000 0.240 812 S C 1.886 176.456 174.600 -0.051 0.000 1.014 812 S CA 1.091 59.277 58.200 -0.023 0.000 0.980 812 S CB -0.330 62.851 63.200 -0.032 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.008 120.478 120.570 -0.140 0.000 2.141 813 I HA -0.147 4.021 4.170 -0.003 0.000 0.236 813 I C 1.903 177.947 176.117 -0.121 0.000 1.071 813 I CA 1.114 62.304 61.300 -0.182 0.000 1.345 813 I CB -0.576 37.230 38.000 -0.324 0.000 1.066 813 I HN 0.205 nan 8.210 nan 0.000 0.406 814 F N 1.146 121.000 119.950 -0.160 0.000 2.063 814 F HA -0.387 4.138 4.527 -0.003 0.000 0.297 814 F C 2.970 178.665 175.800 -0.174 0.000 1.099 814 F CA 1.704 59.538 58.000 -0.276 0.000 1.220 814 F CB -1.494 37.416 39.000 -0.151 0.000 0.972 814 F HN 0.300 nan 8.300 nan 0.000 0.487 815 C N 0.888 120.303 119.300 0.191 0.000 2.393 815 C HA -0.220 4.238 4.460 -0.003 0.000 0.276 815 C C 2.908 177.955 174.990 0.095 0.000 1.215 815 C CA 1.297 60.404 59.018 0.149 0.000 1.743 815 C CB -1.331 26.470 27.740 0.102 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.085 120.678 120.570 0.039 0.000 2.202 816 I HA -0.206 3.962 4.170 -0.003 0.000 0.242 816 I C 2.715 178.841 176.117 0.015 0.000 1.091 816 I CA 1.712 63.022 61.300 0.015 0.000 1.368 816 I CB -1.342 36.647 38.000 -0.018 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.400 120.178 119.800 -0.035 0.000 1.935 817 Q HA -0.261 4.078 4.340 -0.003 0.000 0.212 817 Q C 2.354 178.359 176.000 0.007 0.000 1.008 817 Q CA 2.406 58.159 55.803 -0.082 0.000 0.868 817 Q CB -0.368 28.238 28.738 -0.220 0.000 0.946 817 Q HN 0.372 nan 8.270 nan 0.000 0.418 818 Y N 0.944 121.307 120.300 0.104 0.000 2.081 818 Y HA -0.287 4.261 4.550 -0.003 0.000 0.280 818 Y C 2.153 178.094 175.900 0.068 0.000 1.163 818 Y CA 1.101 59.243 58.100 0.069 0.000 1.135 818 Y CB -0.916 37.570 38.460 0.044 0.000 0.970 818 Y HN 0.272 nan 8.280 nan 0.000 0.498 819 N N 0.109 118.949 118.700 0.234 0.000 2.133 819 N HA -0.196 4.542 4.740 -0.003 0.000 0.193 819 N C 1.901 177.504 175.510 0.155 0.000 1.012 819 N CA 1.765 54.912 53.050 0.162 0.000 0.871 819 N CB -0.336 38.220 38.487 0.116 0.000 1.011 819 N HN 0.209 nan 8.380 nan 0.000 0.435 820 V N 1.265 121.262 119.914 0.138 0.000 2.283 820 V HA -0.140 3.978 4.120 -0.003 0.000 0.243 820 V C 2.420 178.647 176.094 0.222 0.000 1.039 820 V CA 1.230 63.621 62.300 0.152 0.000 1.016 820 V CB -0.354 31.530 31.823 0.101 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.155 120.451 120.500 0.177 0.000 2.134 821 R HA -0.228 4.111 4.340 -0.003 0.000 0.248 821 R C 2.593 178.981 176.300 0.145 0.000 1.143 821 R CA 1.956 58.149 56.100 0.156 0.000 0.957 821 R CB -0.704 29.692 30.300 0.160 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.471 116.267 115.700 0.159 0.000 2.427 822 S HA -0.248 4.220 4.470 -0.003 0.000 0.231 822 S C 1.545 176.238 174.600 0.155 0.000 1.045 822 S CA 1.827 60.106 58.200 0.131 0.000 1.154 822 S CB -0.541 62.758 63.200 0.164 0.000 1.093 822 S HN 0.381 nan 8.310 nan 0.000 0.422 823 F N 2.036 122.037 119.950 0.084 0.000 2.085 823 F HA -0.239 4.286 4.527 -0.003 0.000 0.299 823 F C 2.223 178.069 175.800 0.076 0.000 1.096 823 F CA 1.854 59.917 58.000 0.105 0.000 1.227 823 F CB -0.352 38.709 39.000 0.101 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.160 119.430 119.600 -0.016 0.000 2.346 824 M HA -0.213 4.265 4.480 -0.003 0.000 0.263 824 M C 1.459 177.675 176.300 -0.141 0.000 1.064 824 M CA 1.516 56.737 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 -0.470 118.181 118.700 -0.082 0.000 2.368 825 N HA 0.044 4.783 4.740 -0.003 0.000 0.178 825 N C 0.654 176.135 175.510 -0.050 0.000 1.021 825 N CA 0.245 53.265 53.050 -0.049 0.000 0.875 825 N CB 0.348 38.804 38.487 -0.052 0.000 1.020 825 N HN -0.006 nan 8.380 nan 0.000 0.433 829 W N 5.990 127.348 121.300 0.098 0.000 2.388 829 W HA 0.297 4.955 4.660 -0.003 0.000 0.308 829 W C -1.528 175.027 176.519 0.059 0.000 1.263 829 W CA -2.300 55.095 57.345 0.083 0.000 1.286 829 W CB 0.604 30.111 29.460 0.079 0.000 1.294 829 W HN -0.031 nan 8.180 nan 0.000 0.493 830 P HA -0.318 nan 4.420 nan 0.000 0.221 830 P C 1.184 178.141 177.300 -0.571 0.000 1.160 830 P CA 2.703 65.552 63.100 -0.419 0.000 0.933 830 P CB -0.237 31.114 31.700 -0.582 0.000 0.793 831 W N -1.363 119.416 121.300 -0.869 0.000 2.342 831 W HA -0.058 4.600 4.660 -0.003 0.000 0.297 831 W C 1.911 178.097 176.519 -0.553 0.000 1.213 831 W CA 0.087 56.904 57.345 -0.880 0.000 1.251 831 W CB -0.934 27.518 29.460 -1.681 0.000 1.136 831 W HN -0.003 nan 8.180 nan 0.000 0.526 835 F N 1.619 121.517 119.950 -0.088 0.000 2.147 835 F HA -0.106 4.419 4.527 -0.003 0.000 0.301 835 F C 1.077 176.931 175.800 0.090 0.000 1.084 835 F CA 1.097 59.069 58.000 -0.046 0.000 1.268 835 F CB -0.149 38.741 39.000 -0.183 0.000 1.009 835 F HN -0.053 nan 8.300 nan 0.000 0.486 841 L N 0.123 121.332 121.223 -0.023 0.000 2.450 841 L HA -0.078 4.261 4.340 -0.003 0.000 0.225 841 L C 0.929 177.797 176.870 -0.005 0.000 1.145 841 L CA 1.257 56.092 54.840 -0.010 0.000 0.801 841 L CB -0.950 41.108 42.059 -0.003 0.000 0.924 841 L HN 0.125 nan 8.230 nan 0.000 0.447 842 L N -0.838 120.378 121.223 -0.010 0.000 2.479 842 L HA 0.285 4.624 4.340 -0.003 0.000 0.248 842 L C 0.563 177.434 176.870 0.002 0.000 1.205 842 L CA 0.080 54.921 54.840 0.001 0.000 0.817 842 L CB 0.315 42.374 42.059 0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.407 120.400 0.011 0.000 2.780 843 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 843 K CA 0.000 56.294 56.287 0.011 0.000 0.838 843 K CB 0.000 32.506 32.500 0.010 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543