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 2mys_1_A 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 EXXXXXXXXX XXGTLEDQII 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 NFQKPKPAXX XAEAHFSLVH YAGTVDYNIS GWLEXNXDPL DATA SEQUENCE NETVIGLYQX SSVXTLALLF ATYXXXXXXX XXXXXXXXXX XXXQTVSALF DATA SEQUENCE RENLNXLMAN LRSTHPHFVR CIIPNETXTP GAMEHELVLH QLRCNGVLEG DATA SEQUENCE IRICRKGFPS RVLYADFKQR YRVLNASAXX XXXXMDSKKA 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 0.000 176.315 176.300 0.025 0.000 2.045 4 D CA 0.000 54.007 54.000 0.012 0.000 0.868 4 D CB 0.000 40.801 40.800 0.002 0.000 0.688 5 A N 1.341 124.172 122.820 0.019 0.000 1.865 5 A HA -0.217 4.104 4.320 0.002 0.000 0.217 5 A C 1.866 179.470 177.584 0.032 0.000 1.191 5 A CA 2.134 54.183 52.037 0.020 0.000 0.623 5 A CB -0.654 18.354 19.000 0.014 0.000 0.826 5 A HN 0.297 nan 8.150 nan 0.000 0.444 6 E N -0.222 120.003 120.200 0.041 0.000 2.021 6 E HA -0.150 4.201 4.350 0.002 0.000 0.200 6 E C 0.347 177.012 176.600 0.108 0.000 1.015 6 E CA 0.908 57.346 56.400 0.063 0.000 0.824 6 E CB -0.325 29.417 29.700 0.070 0.000 0.762 6 E HN 0.557 nan 8.360 nan 0.000 0.454 7 M N 0.082 119.769 119.600 0.145 0.000 2.390 7 M HA 0.043 4.524 4.480 0.002 0.000 0.353 7 M C 0.361 176.761 176.300 0.167 0.000 1.623 7 M CA 0.458 55.909 55.300 0.252 0.000 1.065 7 M CB 0.682 33.379 32.600 0.162 0.000 2.025 7 M HN 0.223 nan 8.290 nan 0.000 0.461 8 A N 3.037 125.954 122.820 0.162 0.000 1.429 8 A HA 0.397 4.718 4.320 0.002 0.000 0.212 8 A C 1.785 179.368 177.584 -0.002 0.000 1.863 8 A CA 0.539 52.613 52.037 0.062 0.000 1.494 8 A CB -0.925 18.084 19.000 0.014 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.248 122.974 122.820 -0.156 0.000 1.896 9 A HA -0.087 4.235 4.320 0.002 0.000 0.220 9 A C 1.901 179.276 177.584 -0.348 0.000 1.206 9 A CA 2.315 54.124 52.037 -0.380 0.000 0.647 9 A CB -1.043 17.516 19.000 -0.735 0.000 0.828 9 A HN 0.723 nan 8.150 nan 0.000 0.455 10 F N -1.144 118.794 119.950 -0.020 0.000 2.094 10 F HA 0.291 4.820 4.527 0.002 0.000 0.291 10 F C 2.499 178.319 175.800 0.034 0.000 1.109 10 F CA 0.813 58.823 58.000 0.017 0.000 1.221 10 F CB -1.225 37.784 39.000 0.015 0.000 1.014 10 F HN 0.473 nan 8.300 nan 0.000 0.473 11 G N 0.474 109.450 108.800 0.295 0.000 3.773 11 G HA2 -0.529 3.433 3.960 0.002 0.000 0.355 11 G HA3 -0.529 3.433 3.960 0.002 0.000 0.355 11 G C 1.271 176.257 174.900 0.144 0.000 1.323 11 G CA 1.287 46.485 45.100 0.162 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.051 121.339 120.200 0.148 0.000 2.160 12 E HA 0.204 4.555 4.350 0.002 0.000 0.195 12 E C 2.857 179.577 176.600 0.201 0.000 0.991 12 E CA 1.961 58.454 56.400 0.154 0.000 0.810 12 E CB -0.380 29.418 29.700 0.164 0.000 0.742 12 E HN 0.759 nan 8.360 nan 0.000 0.466 13 A N 0.290 123.259 122.820 0.249 0.000 2.021 13 A HA 0.162 4.483 4.320 0.002 0.000 0.216 13 A C 2.283 179.973 177.584 0.176 0.000 1.163 13 A CA 1.033 53.253 52.037 0.305 0.000 0.676 13 A CB -0.535 18.665 19.000 0.333 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.262 124.136 122.820 0.090 0.000 1.916 14 A HA -0.240 4.081 4.320 0.002 0.000 0.224 14 A C 0.253 177.752 177.584 -0.141 0.000 1.366 14 A CA 2.470 54.465 52.037 -0.070 0.000 0.692 14 A CB -2.073 16.921 19.000 -0.009 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 0.525 177.588 177.300 -0.396 0.000 1.144 15 P CA 1.378 64.255 63.100 -0.373 0.000 0.800 15 P CB -0.255 31.120 31.700 -0.542 0.000 0.772 16 Y N -2.432 117.869 120.300 0.001 0.000 2.462 16 Y HA 0.145 4.696 4.550 0.002 0.000 0.261 16 Y C 1.951 177.833 175.900 -0.029 0.000 1.146 16 Y CA 0.030 58.134 58.100 0.006 0.000 1.283 16 Y CB -0.318 38.138 38.460 -0.006 0.000 1.090 16 Y HN -0.166 nan 8.280 nan 0.000 0.526 17 L N -1.092 120.146 121.223 0.024 0.000 2.435 17 L HA 0.298 4.639 4.340 0.002 0.000 0.195 17 L C 0.919 177.740 176.870 -0.083 0.000 1.072 17 L CA 0.805 55.611 54.840 -0.057 0.000 0.833 17 L CB -0.201 41.715 42.059 -0.238 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.038 121.224 120.200 -0.024 0.000 2.516 21 E HA -0.136 4.216 4.350 0.002 0.000 0.206 21 E C 1.176 177.762 176.600 -0.024 0.000 1.107 21 E CA 1.527 57.914 56.400 -0.023 0.000 0.903 21 E CB -0.174 29.515 29.700 -0.018 0.000 0.838 21 E HN 0.629 nan 8.360 nan 0.000 0.574 22 K N -2.185 118.201 120.400 -0.023 0.000 2.474 22 K HA 0.170 4.492 4.320 0.002 0.000 0.204 22 K C 1.561 178.147 176.600 -0.024 0.000 1.220 22 K CA -0.129 56.144 56.287 -0.024 0.000 0.966 22 K CB 0.108 32.596 32.500 -0.020 0.000 1.049 22 K HN -0.109 nan 8.250 nan 0.000 0.554 23 E N 1.355 121.541 120.200 -0.023 0.000 2.153 23 E HA -0.070 4.281 4.350 0.002 0.000 0.194 23 E C 1.829 178.414 176.600 -0.025 0.000 0.988 23 E CA 1.122 57.509 56.400 -0.022 0.000 0.811 23 E CB 0.138 29.825 29.700 -0.022 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.238 120.721 120.500 -0.028 0.000 2.070 24 R HA -0.069 4.273 4.340 0.002 0.000 0.227 24 R C 2.467 178.742 176.300 -0.041 0.000 1.147 24 R CA 1.259 57.339 56.100 -0.033 0.000 0.924 24 R CB -0.459 29.822 30.300 -0.033 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.385 121.931 120.570 -0.041 0.000 2.185 25 I HA -0.308 3.863 4.170 0.002 0.000 0.246 25 I C 1.849 177.940 176.117 -0.043 0.000 1.088 25 I CA 1.637 62.910 61.300 -0.046 0.000 1.347 25 I CB -0.511 37.465 38.000 -0.040 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.396 120.576 120.200 -0.034 0.000 2.418 26 E HA -0.089 4.262 4.350 0.002 0.000 0.197 26 E C 2.048 178.631 176.600 -0.029 0.000 1.026 26 E CA 0.884 57.267 56.400 -0.028 0.000 0.862 26 E CB 0.054 29.742 29.700 -0.020 0.000 0.799 26 E HN 0.541 nan 8.360 nan 0.000 0.518 27 A N 0.706 123.505 122.820 -0.036 0.000 1.973 27 A HA -0.040 4.282 4.320 0.002 0.000 0.210 27 A C 1.946 179.493 177.584 -0.061 0.000 1.200 27 A CA 0.183 52.197 52.037 -0.037 0.000 0.707 27 A CB 0.099 19.081 19.000 -0.031 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.324 120.077 119.800 -0.079 0.000 2.187 28 Q HA 0.033 4.374 4.340 0.002 0.000 0.199 28 Q C 0.080 176.010 176.000 -0.118 0.000 0.957 28 Q CA 0.482 56.213 55.803 -0.121 0.000 0.857 28 Q CB -0.036 28.621 28.738 -0.135 0.000 0.929 28 Q HN 0.562 nan 8.270 nan 0.000 0.453 32 F N 1.150 121.071 119.950 -0.049 0.000 2.574 32 F HA 0.382 4.910 4.527 0.002 0.000 0.313 32 F C -1.040 174.732 175.800 -0.048 0.000 1.130 32 F CA -0.520 57.448 58.000 -0.054 0.000 0.936 32 F CB 2.178 41.144 39.000 -0.056 0.000 1.219 32 F HN 0.178 nan 8.300 nan 0.000 0.445 33 D N 5.073 125.056 120.400 -0.696 0.000 2.479 33 D HA 0.470 5.111 4.640 0.002 0.000 0.247 33 D C 0.175 176.124 176.300 -0.585 0.000 1.119 33 D CA 0.144 53.867 54.000 -0.461 0.000 0.922 33 D CB 1.333 41.956 40.800 -0.295 0.000 1.014 33 D HN 0.757 nan 8.370 nan 0.000 0.510 37 S N 2.012 117.534 115.700 -0.297 0.000 2.533 37 S HA 0.699 5.170 4.470 0.002 0.000 0.282 37 S C -0.195 174.263 174.600 -0.236 0.000 1.304 37 S CA -0.331 57.672 58.200 -0.329 0.000 1.063 37 S CB 1.459 64.329 63.200 -0.552 0.000 0.881 37 S HN 0.620 nan 8.310 nan 0.000 0.493 38 V N 1.953 121.720 119.914 -0.245 0.000 3.258 38 V HA 0.513 4.634 4.120 0.002 0.000 0.299 38 V C -1.462 174.442 176.094 -0.317 0.000 1.376 38 V CA -0.915 61.256 62.300 -0.215 0.000 1.063 38 V CB 2.070 33.845 31.823 -0.080 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.180 121.116 119.950 -0.023 0.000 2.425 39 F HA 0.857 5.385 4.527 0.002 0.000 0.331 39 F C 0.141 176.049 175.800 0.179 0.000 1.085 39 F CA -0.547 57.438 58.000 -0.025 0.000 1.028 39 F CB 1.885 40.769 39.000 -0.194 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.434 122.664 119.914 0.526 0.000 3.178 40 V HA 0.488 4.610 4.120 0.002 0.000 0.302 40 V C -0.964 175.497 176.094 0.610 0.000 1.262 40 V CA -0.923 61.682 62.300 0.508 0.000 1.030 40 V CB 2.579 34.560 31.823 0.263 0.000 1.074 40 V HN 0.486 nan 8.190 nan 0.000 0.438 41 V N 3.810 124.009 119.914 0.475 0.000 3.139 41 V HA 0.342 4.463 4.120 0.002 0.000 0.307 41 V C -0.331 175.888 176.094 0.208 0.000 1.095 41 V CA 0.386 62.822 62.300 0.226 0.000 1.160 41 V CB 1.016 32.935 31.823 0.160 0.000 1.003 41 V HN 0.998 nan 8.190 nan 0.000 0.489 42 H N 5.151 124.196 119.070 -0.041 0.000 3.188 42 H HA 0.302 4.859 4.556 0.002 0.000 0.325 42 H C -2.400 172.914 175.328 -0.023 0.000 1.033 42 H CA -1.588 54.466 56.048 0.009 0.000 1.443 42 H CB 2.193 32.001 29.762 0.076 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.181 nan 4.420 nan 0.000 0.217 43 P C 1.026 178.462 177.300 0.226 0.000 1.158 43 P CA 1.610 64.809 63.100 0.164 0.000 0.887 43 P CB 0.768 32.493 31.700 0.043 0.000 0.792 44 K N -1.149 119.501 120.400 0.417 0.000 2.056 44 K HA 0.053 4.375 4.320 0.002 0.000 0.205 44 K C 1.238 177.813 176.600 -0.042 0.000 1.035 44 K CA 0.743 57.124 56.287 0.157 0.000 0.955 44 K CB -0.243 32.361 32.500 0.173 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.124 119.687 119.800 -0.395 0.000 2.261 45 Q HA 0.151 4.492 4.340 0.002 0.000 0.252 45 Q C 0.662 176.573 176.000 -0.148 0.000 0.915 45 Q CA -0.216 55.393 55.803 -0.324 0.000 0.915 45 Q CB 1.798 30.295 28.738 -0.401 0.000 1.204 45 Q HN 0.147 nan 8.270 nan 0.000 0.421 46 S N 1.988 117.701 115.700 0.021 0.000 2.389 46 S HA -0.144 4.327 4.470 0.002 0.000 0.229 46 S C -0.169 174.270 174.600 -0.269 0.000 1.048 46 S CA 1.514 59.659 58.200 -0.091 0.000 1.117 46 S CB 0.058 63.242 63.200 -0.027 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.017 119.031 119.950 0.164 0.000 2.607 47 F HA 0.578 5.106 4.527 0.002 0.000 0.322 47 F C -0.179 175.834 175.800 0.355 0.000 1.176 47 F CA -0.699 57.431 58.000 0.216 0.000 0.977 47 F CB 1.497 40.559 39.000 0.103 0.000 1.242 47 F HN -0.077 nan 8.300 nan 0.000 0.465 51 T N 1.330 115.839 114.554 -0.075 0.000 2.797 51 T HA 0.507 4.858 4.350 0.002 0.000 0.279 51 T C 0.190 174.850 174.700 -0.066 0.000 0.991 51 T CA -0.430 61.615 62.100 -0.093 0.000 0.979 51 T CB 1.210 70.024 68.868 -0.091 0.000 0.943 51 T HN 0.415 nan 8.240 nan 0.000 0.444 52 I N 3.849 124.376 120.570 -0.073 0.000 2.533 52 I HA 0.119 4.290 4.170 0.002 0.000 0.284 52 I C 1.359 177.448 176.117 -0.047 0.000 1.109 52 I CA 0.054 61.324 61.300 -0.052 0.000 1.412 52 I CB 0.433 38.402 38.000 -0.051 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.040 123.819 119.800 -0.034 0.000 2.240 53 Q HA 0.125 4.466 4.340 0.002 0.000 0.194 53 Q C 0.584 176.568 176.000 -0.026 0.000 0.982 53 Q CA 0.807 56.592 55.803 -0.030 0.000 0.842 53 Q CB 0.090 28.813 28.738 -0.024 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.605 109.401 108.800 -0.006 0.000 2.245 57 G HA2 -0.273 3.689 3.960 0.002 0.000 0.264 57 G HA3 -0.273 3.689 3.960 0.002 0.000 0.264 57 G C 0.516 175.414 174.900 -0.005 0.000 0.985 57 G CA 0.500 45.597 45.100 -0.004 0.000 0.625 57 G HN 0.818 nan 8.290 nan 0.000 0.536 61 T N 2.259 116.804 114.554 -0.015 0.000 2.771 61 T HA 0.879 5.230 4.350 0.002 0.000 0.281 61 T C -0.388 174.303 174.700 -0.015 0.000 0.982 61 T CA -0.684 61.407 62.100 -0.014 0.000 0.978 61 T CB 1.867 70.726 68.868 -0.015 0.000 0.930 61 T HN 0.531 nan 8.240 nan 0.000 0.447 65 E N 0.571 120.806 120.200 0.059 0.000 2.267 65 E HA 0.496 4.848 4.350 0.002 0.000 0.241 65 E C 0.488 177.131 176.600 0.071 0.000 0.950 65 E CA 0.037 56.467 56.400 0.051 0.000 0.776 65 E CB 0.348 30.076 29.700 0.047 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.822 110.656 108.800 0.056 0.000 3.259 66 G HA2 -0.036 3.925 3.960 0.002 0.000 0.217 66 G HA3 -0.036 3.925 3.960 0.002 0.000 0.217 66 G C 0.423 175.351 174.900 0.047 0.000 0.993 66 G CA -0.168 44.966 45.100 0.057 0.000 0.836 66 G HN 0.801 nan 8.290 nan 0.000 0.514 67 G N -0.179 108.649 108.800 0.046 0.000 3.055 67 G HA2 0.438 4.399 3.960 0.002 0.000 0.654 67 G HA3 0.438 4.399 3.960 0.002 0.000 0.654 67 G C -0.703 174.219 174.900 0.037 0.000 1.134 67 G CA 0.823 45.943 45.100 0.033 0.000 1.049 67 G HN 1.305 nan 8.290 nan 0.000 0.458 68 E N 0.299 120.519 120.200 0.033 0.000 2.388 68 E HA 0.735 5.086 4.350 0.002 0.000 0.281 68 E C -0.387 176.219 176.600 0.010 0.000 1.046 68 E CA -0.373 56.042 56.400 0.025 0.000 0.825 68 E CB 1.527 31.252 29.700 0.043 0.000 1.243 68 E HN 0.753 nan 8.360 nan 0.000 0.438 69 T N 1.503 116.053 114.554 -0.006 0.000 2.841 69 T HA 0.711 5.062 4.350 0.002 0.000 0.285 69 T C -0.843 173.841 174.700 -0.027 0.000 0.991 69 T CA -0.660 61.432 62.100 -0.012 0.000 0.966 69 T CB 0.887 69.749 68.868 -0.010 0.000 0.962 69 T HN 0.300 nan 8.240 nan 0.000 0.438 70 L N 2.160 123.367 121.223 -0.028 0.000 2.422 70 L HA 0.626 4.967 4.340 0.002 0.000 0.264 70 L C -0.320 176.536 176.870 -0.024 0.000 0.984 70 L CA -0.474 54.342 54.840 -0.039 0.000 0.819 70 L CB 2.788 44.810 42.059 -0.062 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.419 116.959 114.554 -0.023 0.000 2.853 71 T HA 0.560 4.912 4.350 0.002 0.000 0.317 71 T C -0.526 174.165 174.700 -0.015 0.000 1.059 71 T CA -0.320 61.770 62.100 -0.017 0.000 0.954 71 T CB 1.036 69.896 68.868 -0.015 0.000 0.994 71 T HN 0.193 nan 8.240 nan 0.000 0.479 72 V N 3.355 123.262 119.914 -0.011 0.000 2.864 72 V HA 0.446 4.568 4.120 0.002 0.000 0.314 72 V C 0.438 176.524 176.094 -0.014 0.000 1.073 72 V CA -1.161 61.135 62.300 -0.007 0.000 0.956 72 V CB 2.324 34.150 31.823 0.006 0.000 1.023 72 V HN 0.736 nan 8.190 nan 0.000 0.435 73 K N 1.490 121.882 120.400 -0.014 0.000 2.414 73 K HA -0.132 4.190 4.320 0.002 0.000 0.266 73 K C 1.234 177.808 176.600 -0.044 0.000 0.976 73 K CA 1.182 57.456 56.287 -0.022 0.000 0.884 73 K CB 0.112 32.603 32.500 -0.015 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.283 120.456 120.200 -0.045 0.000 2.107 74 E HA -0.138 4.213 4.350 0.002 0.000 0.191 74 E C 0.105 176.634 176.600 -0.120 0.000 0.982 74 E CA 1.301 57.664 56.400 -0.063 0.000 0.809 74 E CB 0.173 29.849 29.700 -0.039 0.000 0.756 74 E HN 0.499 nan 8.360 nan 0.000 0.459 75 D N -0.643 119.688 120.400 -0.114 0.000 2.706 75 D HA 0.067 4.708 4.640 0.002 0.000 0.236 75 D C 0.429 176.564 176.300 -0.275 0.000 1.231 75 D CA 0.008 53.890 54.000 -0.196 0.000 0.828 75 D CB 0.350 41.078 40.800 -0.120 0.000 1.015 75 D HN 0.002 nan 8.370 nan 0.000 0.484 76 Q N -0.690 118.954 119.800 -0.260 0.000 2.189 76 Q HA 0.269 4.610 4.340 0.002 0.000 0.223 76 Q C -0.787 175.087 176.000 -0.210 0.000 0.828 76 Q CA 0.022 55.753 55.803 -0.120 0.000 0.967 76 Q CB 1.316 30.059 28.738 0.009 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.546 121.171 119.914 -0.481 0.000 2.417 77 V HA 0.502 4.624 4.120 0.002 0.000 0.291 77 V C -1.134 174.604 176.094 -0.593 0.000 1.024 77 V CA -0.483 61.615 62.300 -0.337 0.000 0.861 77 V CB 1.093 32.829 31.823 -0.146 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.812 121.835 119.950 0.122 0.000 2.547 78 F HA 0.508 5.037 4.527 0.002 0.000 0.316 78 F C 0.739 176.629 175.800 0.149 0.000 1.121 78 F CA -0.587 57.503 58.000 0.150 0.000 0.911 78 F CB 1.843 40.768 39.000 -0.125 0.000 1.179 78 F HN 0.353 nan 8.300 nan 0.000 0.443 79 S N 2.491 118.482 115.700 0.486 0.000 2.589 79 S HA 0.263 4.734 4.470 0.002 0.000 0.256 79 S C -0.316 174.393 174.600 0.181 0.000 1.383 79 S CA -0.139 58.220 58.200 0.265 0.000 0.983 79 S CB 0.337 63.684 63.200 0.244 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.131 121.689 119.600 -0.071 0.000 2.267 80 M HA 0.316 4.797 4.480 0.002 0.000 0.289 80 M C -1.072 175.185 176.300 -0.073 0.000 1.043 80 M CA -0.555 54.684 55.300 -0.102 0.000 0.928 80 M CB 1.052 33.468 32.600 -0.307 0.000 1.613 80 M HN 0.507 nan 8.290 nan 0.000 0.450 81 N N 5.722 124.386 118.700 -0.059 0.000 2.454 81 N HA 0.212 4.953 4.740 0.002 0.000 0.254 81 N C -2.504 172.816 175.510 -0.317 0.000 1.228 81 N CA -0.520 52.490 53.050 -0.067 0.000 0.900 81 N CB 0.311 38.855 38.487 0.096 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 -2.355 174.558 177.300 -0.646 0.000 1.217 82 P CA -0.708 61.885 63.100 -0.846 0.000 0.783 82 P CB -0.465 31.020 31.700 -0.358 0.000 0.898 89 E N 2.054 122.327 120.200 0.121 0.000 2.118 89 E HA -0.182 4.169 4.350 0.002 0.000 0.195 89 E C 0.170 176.912 176.600 0.237 0.000 0.992 89 E CA 1.244 57.736 56.400 0.152 0.000 0.804 89 E CB 0.304 30.114 29.700 0.185 0.000 0.741 89 E HN 0.381 nan 8.360 nan 0.000 0.458 90 D N -0.790 119.739 120.400 0.216 0.000 2.420 90 D HA 0.125 4.766 4.640 0.002 0.000 0.255 90 D C 0.643 177.013 176.300 0.117 0.000 1.185 90 D CA -0.170 53.955 54.000 0.208 0.000 0.904 90 D CB 0.676 41.575 40.800 0.164 0.000 1.102 90 D HN -0.041 nan 8.370 nan 0.000 0.534 91 M N 1.482 121.142 119.600 0.100 0.000 2.337 91 M HA -0.143 4.338 4.480 0.002 0.000 0.261 91 M C 1.738 178.037 176.300 -0.002 0.000 1.067 91 M CA 1.183 56.508 55.300 0.043 0.000 1.074 91 M CB -0.118 32.504 32.600 0.037 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.497 122.333 122.820 0.016 0.000 2.255 92 A HA 0.091 4.412 4.320 0.002 0.000 0.206 92 A C 1.888 179.443 177.584 -0.048 0.000 1.193 92 A CA 0.645 52.667 52.037 -0.025 0.000 0.794 92 A CB -0.588 18.402 19.000 -0.017 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.421 118.155 119.600 -0.040 0.000 2.367 93 M HA 0.284 4.765 4.480 0.002 0.000 0.256 93 M C 0.311 176.513 176.300 -0.163 0.000 1.091 93 M CA 0.001 55.276 55.300 -0.042 0.000 1.049 93 M CB 0.078 32.702 32.600 0.040 0.000 1.406 93 M HN 0.372 nan 8.290 nan 0.000 0.498 94 M N -0.306 119.133 119.600 -0.269 0.000 2.252 94 M HA -0.095 4.386 4.480 0.002 0.000 0.321 94 M C 1.279 177.299 176.300 -0.467 0.000 1.070 94 M CA 0.790 55.737 55.300 -0.588 0.000 1.143 94 M CB 0.388 32.787 32.600 -0.335 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.026 114.193 114.554 -0.558 0.000 3.122 95 T HA 0.133 4.484 4.350 0.002 0.000 0.250 95 T C -0.665 173.861 174.700 -0.291 0.000 1.067 95 T CA 0.279 62.209 62.100 -0.282 0.000 0.966 95 T CB -0.281 68.512 68.868 -0.126 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.866 119.763 119.070 -0.288 0.000 2.917 96 H HA 0.396 4.953 4.556 0.002 0.000 0.279 96 H C -1.231 173.897 175.328 -0.334 0.000 1.211 96 H CA -0.698 55.175 56.048 -0.292 0.000 1.534 96 H CB 0.566 30.228 29.762 -0.166 0.000 1.581 96 H HN 0.051 nan 8.280 nan 0.000 0.510 97 L N 4.045 125.101 121.223 -0.279 0.000 2.358 97 L HA 0.251 4.592 4.340 0.002 0.000 0.274 97 L C 0.106 176.834 176.870 -0.236 0.000 1.136 97 L CA 0.095 54.809 54.840 -0.209 0.000 0.970 97 L CB -1.299 40.657 42.059 -0.173 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.719 118.291 119.070 -0.101 0.000 2.896 98 H HA 0.318 4.875 4.556 0.002 0.000 0.318 98 H C 0.557 175.696 175.328 -0.313 0.000 1.409 98 H CA -0.655 55.273 56.048 -0.200 0.000 1.328 98 H CB 1.815 31.383 29.762 -0.324 0.000 1.940 98 H HN 0.390 nan 8.280 nan 0.000 0.665 99 E N 0.223 120.243 120.200 -0.301 0.000 2.042 99 E HA -0.023 4.328 4.350 0.002 0.000 0.189 99 E C -1.034 175.182 176.600 -0.640 0.000 0.974 99 E CA 0.263 56.409 56.400 -0.423 0.000 0.806 99 E CB -0.552 28.912 29.700 -0.394 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.132 nan 4.420 nan 0.000 0.215 100 P C 0.995 177.734 177.300 -0.936 0.000 1.157 100 P CA 1.852 64.169 63.100 -1.305 0.000 0.863 100 P CB -0.108 30.457 31.700 -1.893 0.000 0.787 101 A N -0.626 121.746 122.820 -0.746 0.000 2.032 101 A HA -0.154 4.167 4.320 0.002 0.000 0.221 101 A C 2.318 179.816 177.584 -0.144 0.000 1.165 101 A CA 1.751 53.623 52.037 -0.275 0.000 0.645 101 A CB -1.683 17.439 19.000 0.205 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.563 119.238 119.914 -0.189 0.000 2.446 102 V HA -0.133 3.988 4.120 0.002 0.000 0.244 102 V C 2.390 178.388 176.094 -0.159 0.000 1.039 102 V CA 1.552 63.774 62.300 -0.130 0.000 1.045 102 V CB -0.483 31.268 31.823 -0.120 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.090 120.984 121.223 -0.247 0.000 1.994 103 L HA -0.167 4.174 4.340 0.002 0.000 0.208 103 L C 2.282 178.962 176.870 -0.318 0.000 1.071 103 L CA 2.225 56.880 54.840 -0.309 0.000 0.745 103 L CB -1.146 40.667 42.059 -0.409 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.044 120.160 120.300 -0.307 0.000 2.256 104 Y HA -0.248 4.304 4.550 0.002 0.000 0.288 104 Y C 2.663 178.526 175.900 -0.061 0.000 1.155 104 Y CA 2.017 60.010 58.100 -0.177 0.000 1.203 104 Y CB -0.626 37.725 38.460 -0.181 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.442 118.293 118.700 0.057 0.000 2.216 105 N HA -0.093 4.649 4.740 0.002 0.000 0.183 105 N C 0.481 176.004 175.510 0.021 0.000 1.017 105 N CA 0.239 53.323 53.050 0.058 0.000 0.861 105 N CB -0.150 38.367 38.487 0.050 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.500 121.022 120.500 0.037 0.000 2.319 109 R HA 0.111 4.452 4.340 0.002 0.000 0.204 109 R C 1.513 177.839 176.300 0.043 0.000 0.954 109 R CA 0.718 56.835 56.100 0.028 0.000 1.066 109 R CB -0.133 30.186 30.300 0.032 0.000 0.991 109 R HN 0.151 nan 8.270 nan 0.000 0.486 110 Y N 0.914 121.134 120.300 -0.133 0.000 2.464 110 Y HA 0.371 4.922 4.550 0.002 0.000 0.288 110 Y C 2.271 177.942 175.900 -0.382 0.000 1.133 110 Y CA 0.189 58.176 58.100 -0.188 0.000 1.223 110 Y CB -0.121 38.245 38.460 -0.156 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.256 122.835 122.820 -0.401 0.000 2.178 111 A HA 0.134 4.455 4.320 0.002 0.000 0.218 111 A C 1.912 179.077 177.584 -0.698 0.000 1.157 111 A CA 1.402 53.069 52.037 -0.616 0.000 0.689 111 A CB -1.082 17.747 19.000 -0.285 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.310 119.258 122.820 -0.421 0.000 2.430 112 A HA 0.417 4.738 4.320 0.002 0.000 0.243 112 A C 0.357 177.955 177.584 0.023 0.000 1.254 112 A CA -0.188 51.737 52.037 -0.186 0.000 0.914 112 A CB -0.430 18.533 19.000 -0.063 0.000 0.998 112 A HN 0.712 nan 8.150 nan 0.000 0.515 113 W N -1.479 119.783 121.300 -0.063 0.000 4.301 113 W HA -0.170 4.492 4.660 0.002 0.000 0.360 113 W C -0.556 175.999 176.519 0.059 0.000 1.371 113 W CA 0.771 58.107 57.345 -0.016 0.000 0.781 113 W CB -2.344 27.183 29.460 0.111 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.891 120.580 119.600 0.148 0.000 2.066 114 M HA 0.275 4.756 4.480 0.002 0.000 0.340 114 M C 1.521 177.839 176.300 0.029 0.000 1.053 114 M CA -0.184 55.172 55.300 0.093 0.000 0.983 114 M CB 0.667 33.303 32.600 0.060 0.000 1.520 114 M HN 0.102 nan 8.290 nan 0.000 0.428 115 I N -0.762 119.724 120.570 -0.140 0.000 3.226 115 I HA 0.112 4.283 4.170 0.002 0.000 0.277 115 I C -0.519 175.283 176.117 -0.525 0.000 1.243 115 I CA 0.534 61.631 61.300 -0.337 0.000 1.459 115 I CB 0.126 37.817 38.000 -0.515 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.136 122.407 120.300 -0.049 0.000 2.402 116 Y HA 0.547 5.099 4.550 0.002 0.000 0.332 116 Y C 0.317 176.111 175.900 -0.177 0.000 0.960 116 Y CA -1.178 56.847 58.100 -0.125 0.000 1.228 116 Y CB 1.233 39.590 38.460 -0.170 0.000 1.120 116 Y HN -0.051 nan 8.280 nan 0.000 0.491 117 T N 3.185 117.737 114.554 -0.005 0.000 2.861 117 T HA 0.589 4.940 4.350 0.002 0.000 0.287 117 T C -1.115 173.566 174.700 -0.031 0.000 1.003 117 T CA -0.551 61.518 62.100 -0.052 0.000 0.977 117 T CB 0.419 69.287 68.868 -0.001 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.219 122.591 120.300 0.120 0.000 2.307 118 Y HA 0.557 5.108 4.550 0.002 0.000 0.324 118 Y C 1.291 177.262 175.900 0.118 0.000 1.238 118 Y CA -0.783 57.394 58.100 0.129 0.000 1.280 118 Y CB 1.678 40.206 38.460 0.114 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.250 117.161 115.700 0.351 0.000 2.327 119 S HA 0.553 5.024 4.470 0.002 0.000 0.203 119 S C 0.327 175.048 174.600 0.202 0.000 1.326 119 S CA 0.267 58.618 58.200 0.252 0.000 1.248 119 S CB -0.939 62.406 63.200 0.241 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.031 110.894 108.800 0.105 0.000 3.110 120 G HA2 -0.194 3.767 3.960 0.002 0.000 0.238 120 G HA3 -0.194 3.767 3.960 0.002 0.000 0.238 120 G C 0.262 175.122 174.900 -0.065 0.000 1.647 120 G CA 0.081 45.165 45.100 -0.026 0.000 1.146 120 G HN 0.534 nan 8.290 nan 0.000 0.545 121 L N 1.113 122.226 121.223 -0.183 0.000 2.515 121 L HA 0.478 4.819 4.340 0.002 0.000 0.223 121 L C 1.077 177.996 176.870 0.082 0.000 1.079 121 L CA -0.150 54.645 54.840 -0.076 0.000 0.857 121 L CB -0.034 41.999 42.059 -0.043 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.814 119.268 119.950 0.220 0.000 2.535 122 F HA 0.037 4.565 4.527 0.002 0.000 0.332 122 F C 0.720 176.695 175.800 0.293 0.000 1.208 122 F CA -0.925 57.200 58.000 0.208 0.000 1.330 122 F CB 0.171 39.220 39.000 0.081 0.000 1.167 122 F HN -0.206 nan 8.300 nan 0.000 0.597 123 C N 3.883 123.481 119.300 0.496 0.000 2.814 123 C HA 0.652 5.114 4.460 0.002 0.000 0.269 123 C C -0.543 174.568 174.990 0.201 0.000 1.090 123 C CA -0.688 58.536 59.018 0.343 0.000 1.492 123 C CB -1.463 26.427 27.740 0.250 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 4.988 124.999 119.914 0.162 0.000 2.763 124 V HA 0.338 4.460 4.120 0.002 0.000 0.306 124 V C 0.802 176.952 176.094 0.094 0.000 1.059 124 V CA 0.789 63.129 62.300 0.066 0.000 1.138 124 V CB 1.278 33.111 31.823 0.017 0.000 0.940 124 V HN 0.851 nan 8.190 nan 0.000 0.489 125 T N 3.488 118.065 114.554 0.039 0.000 3.011 125 T HA 0.513 4.865 4.350 0.002 0.000 0.303 125 T C -0.691 173.940 174.700 -0.116 0.000 0.997 125 T CA -0.356 61.760 62.100 0.027 0.000 1.007 125 T CB 1.521 70.480 68.868 0.152 0.000 1.017 125 T HN 0.457 nan 8.240 nan 0.000 0.443 126 V N 3.675 123.458 119.914 -0.218 0.000 2.459 126 V HA 0.445 4.566 4.120 0.002 0.000 0.295 126 V C 0.579 176.514 176.094 -0.265 0.000 1.029 126 V CA -1.218 60.902 62.300 -0.301 0.000 0.874 126 V CB 1.544 33.072 31.823 -0.492 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.558 124.057 118.700 -0.334 0.000 2.417 127 N HA 0.054 4.796 4.740 0.002 0.000 0.272 127 N C -1.442 173.816 175.510 -0.419 0.000 1.304 127 N CA -1.070 51.705 53.050 -0.460 0.000 0.906 127 N CB 1.202 39.227 38.487 -0.770 0.000 1.135 127 N HN 0.487 nan 8.380 nan 0.000 0.483 128 P HA -0.098 nan 4.420 nan 0.000 0.215 128 P C -0.538 176.808 177.300 0.077 0.000 1.157 128 P CA 1.024 64.126 63.100 0.003 0.000 0.863 128 P CB 0.095 31.754 31.700 -0.068 0.000 0.787 132 L N 5.504 125.967 121.223 -1.267 0.000 2.445 132 L HA 0.546 4.887 4.340 0.002 0.000 0.262 132 L C -1.745 174.073 176.870 -1.752 0.000 0.974 132 L CA -1.839 52.249 54.840 -1.254 0.000 0.822 132 L CB 2.700 44.270 42.059 -0.814 0.000 1.339 132 L HN 0.211 nan 8.230 nan 0.000 0.409 133 P HA 0.032 nan 4.420 nan 0.000 0.258 133 P C 1.048 178.306 177.300 -0.069 0.000 1.319 133 P CA 0.309 63.157 63.100 -0.421 0.000 0.785 133 P CB 0.199 31.948 31.700 0.082 0.000 1.252 134 V N -1.478 118.408 119.914 -0.048 0.000 2.719 134 V HA -0.162 3.959 4.120 0.002 0.000 0.252 134 V C 1.521 177.932 176.094 0.527 0.000 1.065 134 V CA 1.512 63.989 62.300 0.295 0.000 1.086 134 V CB -1.279 30.740 31.823 0.327 0.000 0.700 134 V HN 0.077 nan 8.190 nan 0.000 0.467 135 Y N -0.127 120.273 120.300 0.167 0.000 2.471 135 Y HA 0.232 4.783 4.550 0.002 0.000 0.286 135 Y C 1.170 177.230 175.900 0.267 0.000 1.188 135 Y CA -1.160 57.145 58.100 0.341 0.000 1.286 135 Y CB -1.345 37.247 38.460 0.220 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.237 122.145 118.700 0.346 0.000 2.359 136 N HA -0.043 4.698 4.740 0.002 0.000 0.261 136 N C -2.307 173.287 175.510 0.140 0.000 1.267 136 N CA -0.931 52.265 53.050 0.244 0.000 0.864 136 N CB 0.638 39.258 38.487 0.223 0.000 1.063 136 N HN 0.038 nan 8.380 nan 0.000 0.474 140 V N 1.103 120.834 119.914 -0.304 0.000 2.277 140 V HA -0.352 3.769 4.120 0.002 0.000 0.255 140 V C 2.309 178.309 176.094 -0.157 0.000 1.074 140 V CA 3.121 65.188 62.300 -0.388 0.000 1.058 140 V CB -0.508 31.125 31.823 -0.317 0.000 0.656 140 V HN 0.485 nan 8.190 nan 0.000 0.449 141 L N -0.172 120.956 121.223 -0.158 0.000 2.044 141 L HA -0.018 4.323 4.340 0.002 0.000 0.205 141 L C 2.627 179.411 176.870 -0.142 0.000 1.075 141 L CA 2.048 56.805 54.840 -0.138 0.000 0.747 141 L CB -1.206 40.765 42.059 -0.147 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.082 121.589 122.820 -0.247 0.000 1.917 142 A HA -0.269 4.053 4.320 0.002 0.000 0.219 142 A C 2.067 179.494 177.584 -0.263 0.000 1.182 142 A CA 1.849 53.632 52.037 -0.425 0.000 0.633 142 A CB -1.066 17.362 19.000 -0.953 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.025 119.251 120.300 -0.039 0.000 2.529 143 Y HA 0.176 4.727 4.550 0.002 0.000 0.290 143 Y C 1.038 176.973 175.900 0.059 0.000 1.177 143 Y CA 0.285 58.422 58.100 0.062 0.000 1.305 143 Y CB -0.052 38.457 38.460 0.082 0.000 1.047 143 Y HN 0.153 nan 8.280 nan 0.000 0.522 144 R N 0.774 121.353 120.500 0.131 0.000 2.242 144 R HA 0.375 4.717 4.340 0.002 0.000 0.334 144 R C 0.769 177.103 176.300 0.057 0.000 1.071 144 R CA 0.103 56.258 56.100 0.091 0.000 0.922 144 R CB -0.386 29.916 30.300 0.003 0.000 1.023 144 R HN 0.395 nan 8.270 nan 0.000 0.458 145 G N 2.756 111.604 108.800 0.081 0.000 2.132 145 G HA2 -0.252 3.710 3.960 0.002 0.000 0.234 145 G HA3 -0.252 3.710 3.960 0.002 0.000 0.234 145 G C -0.460 174.463 174.900 0.038 0.000 0.989 145 G CA 0.091 45.220 45.100 0.050 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.162 121.605 120.400 0.072 0.000 2.265 146 K HA 0.536 4.857 4.320 0.002 0.000 0.267 146 K C 0.638 177.290 176.600 0.087 0.000 0.994 146 K CA -0.744 55.591 56.287 0.081 0.000 0.860 146 K CB 0.871 33.449 32.500 0.131 0.000 1.099 146 K HN 0.090 nan 8.250 nan 0.000 0.448 147 K N 1.811 122.237 120.400 0.043 0.000 2.336 147 K HA 0.011 4.332 4.320 0.002 0.000 0.262 147 K C 0.971 177.632 176.600 0.101 0.000 0.992 147 K CA 0.011 56.318 56.287 0.033 0.000 0.927 147 K CB 0.310 32.812 32.500 0.004 0.000 0.956 147 K HN 0.637 nan 8.250 nan 0.000 0.495 148 R N 0.478 121.037 120.500 0.098 0.000 2.369 148 R HA -0.098 4.243 4.340 0.002 0.000 0.200 148 R C 0.495 176.884 176.300 0.149 0.000 1.046 148 R CA 1.087 57.279 56.100 0.153 0.000 1.057 148 R CB -0.125 30.214 30.300 0.066 0.000 0.888 148 R HN 0.484 nan 8.270 nan 0.000 0.474 149 Q N 0.468 120.330 119.800 0.103 0.000 2.352 149 Q HA 0.094 4.435 4.340 0.002 0.000 0.212 149 Q C 0.812 176.870 176.000 0.096 0.000 0.888 149 Q CA 0.418 56.276 55.803 0.092 0.000 0.934 149 Q CB 0.708 29.478 28.738 0.054 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.277 120.538 120.200 0.102 0.000 2.478 150 E HA 0.244 4.595 4.350 0.002 0.000 0.194 150 E C -0.122 176.547 176.600 0.114 0.000 1.045 150 E CA 0.168 56.622 56.400 0.090 0.000 0.868 150 E CB 0.649 30.392 29.700 0.072 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.681 124.603 122.820 0.170 0.000 2.587 151 A HA 0.525 4.846 4.320 0.002 0.000 0.293 151 A C -2.784 174.961 177.584 0.269 0.000 1.087 151 A CA -1.556 50.596 52.037 0.192 0.000 0.692 151 A CB 1.138 20.260 19.000 0.204 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.357 nan 4.420 nan 0.000 0.272 152 P C -2.754 174.698 177.300 0.253 0.000 1.240 152 P CA -1.394 61.807 63.100 0.168 0.000 0.791 152 P CB -0.644 31.056 31.700 0.001 0.000 0.978 153 P HA 0.035 nan 4.420 nan 0.000 0.258 153 P C -0.416 176.811 177.300 -0.123 0.000 1.187 153 P CA 1.189 64.081 63.100 -0.347 0.000 0.767 153 P CB -0.250 31.080 31.700 -0.618 0.000 0.770 154 H N 1.612 120.409 119.070 -0.456 0.000 3.094 154 H HA 0.208 4.765 4.556 0.002 0.000 0.335 154 H C 0.709 175.497 175.328 -0.899 0.000 1.254 154 H CA -0.776 54.759 56.048 -0.854 0.000 1.240 154 H CB 1.365 30.652 29.762 -0.791 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.468 122.311 120.570 -1.211 0.000 2.361 155 I HA -0.261 3.910 4.170 0.002 0.000 0.251 155 I C 1.185 176.616 176.117 -1.144 0.000 1.133 155 I CA 1.300 61.961 61.300 -1.065 0.000 1.413 155 I CB -0.048 37.268 38.000 -1.140 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.519 118.569 119.950 -1.436 0.000 2.502 156 F HA -0.127 4.401 4.527 0.002 0.000 0.298 156 F C 2.699 177.948 175.800 -0.918 0.000 1.111 156 F CA 0.712 57.913 58.000 -1.332 0.000 1.445 156 F CB -0.779 37.452 39.000 -1.283 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.375 115.670 115.700 -0.675 0.000 2.355 157 S HA -0.148 4.323 4.470 0.002 0.000 0.222 157 S C 2.155 176.664 174.600 -0.152 0.000 1.031 157 S CA 1.096 59.154 58.200 -0.236 0.000 0.993 157 S CB -0.371 62.840 63.200 0.018 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.503 121.952 120.570 -0.202 0.000 2.142 158 I HA -0.173 3.998 4.170 0.002 0.000 0.240 158 I C 2.667 178.659 176.117 -0.208 0.000 1.078 158 I CA 1.658 62.868 61.300 -0.149 0.000 1.343 158 I CB -0.465 37.471 38.000 -0.106 0.000 1.046 158 I HN 0.404 nan 8.210 nan 0.000 0.405 159 S N -0.817 114.699 115.700 -0.307 0.000 2.442 159 S HA -0.239 4.233 4.470 0.002 0.000 0.236 159 S C 1.904 176.408 174.600 -0.160 0.000 1.007 159 S CA 1.681 59.703 58.200 -0.296 0.000 0.965 159 S CB -0.396 62.396 63.200 -0.680 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.746 121.062 120.400 -0.139 0.000 2.259 160 D HA 0.020 4.661 4.640 0.002 0.000 0.216 160 D C 1.767 178.156 176.300 0.148 0.000 0.961 160 D CA 0.386 54.451 54.000 0.109 0.000 0.878 160 D CB -0.288 40.598 40.800 0.144 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.877 119.606 118.700 0.048 0.000 2.149 161 N HA -0.152 4.589 4.740 0.002 0.000 0.188 161 N C 1.854 177.479 175.510 0.192 0.000 1.019 161 N CA 0.999 54.079 53.050 0.050 0.000 0.857 161 N CB 0.040 38.571 38.487 0.072 0.000 0.997 161 N HN 0.156 nan 8.380 nan 0.000 0.426 162 A N 0.959 123.810 122.820 0.052 0.000 1.851 162 A HA -0.229 4.092 4.320 0.002 0.000 0.216 162 A C 2.098 179.820 177.584 0.230 0.000 1.195 162 A CA 1.284 53.354 52.037 0.054 0.000 0.622 162 A CB -1.210 17.834 19.000 0.075 0.000 0.831 162 A HN 0.377 nan 8.150 nan 0.000 0.444 163 Y N 0.544 120.931 120.300 0.145 0.000 2.081 163 Y HA -0.307 4.244 4.550 0.002 0.000 0.280 163 Y C 2.655 178.559 175.900 0.006 0.000 1.163 163 Y CA 2.292 60.425 58.100 0.054 0.000 1.135 163 Y CB -0.673 37.874 38.460 0.146 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.158 118.697 119.800 0.090 0.000 1.927 164 Q HA -0.256 4.085 4.340 0.002 0.000 0.210 164 Q C 2.180 178.128 176.000 -0.087 0.000 1.001 164 Q CA 2.133 57.889 55.803 -0.078 0.000 0.862 164 Q CB -0.703 27.933 28.738 -0.170 0.000 0.934 164 Q HN 0.433 nan 8.270 nan 0.000 0.420 165 F N 0.724 120.655 119.950 -0.031 0.000 2.141 165 F HA -0.323 4.205 4.527 0.002 0.000 0.300 165 F C 2.376 178.117 175.800 -0.098 0.000 1.079 165 F CA 1.478 59.478 58.000 -0.000 0.000 1.264 165 F CB -0.550 38.518 39.000 0.114 0.000 1.011 165 F HN 0.247 nan 8.300 nan 0.000 0.487 166 M N -0.321 119.308 119.600 0.048 0.000 2.059 166 M HA -0.234 4.247 4.480 0.002 0.000 0.259 166 M C 2.085 178.148 176.300 -0.395 0.000 1.072 166 M CA 2.042 57.216 55.300 -0.211 0.000 1.117 166 M CB -0.452 31.986 32.600 -0.269 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.846 120.154 121.223 -0.372 0.000 2.156 167 L HA -0.108 4.233 4.340 0.002 0.000 0.208 167 L C 2.299 179.059 176.870 -0.184 0.000 1.095 167 L CA 1.255 55.910 54.840 -0.308 0.000 0.770 167 L CB -1.358 40.542 42.059 -0.265 0.000 0.914 167 L HN 0.273 nan 8.230 nan 0.000 0.439 168 T N -0.305 114.177 114.554 -0.119 0.000 2.701 168 T HA -0.130 4.221 4.350 0.002 0.000 0.263 168 T C 1.301 175.986 174.700 -0.026 0.000 1.040 168 T CA 1.727 63.795 62.100 -0.054 0.000 1.147 168 T CB -0.217 68.630 68.868 -0.036 0.000 0.865 168 T HN 0.366 nan 8.240 nan 0.000 0.426 169 D N 0.329 120.731 120.400 0.003 0.000 2.348 169 D HA 0.097 4.738 4.640 0.002 0.000 0.211 169 D C 0.622 176.866 176.300 -0.092 0.000 0.998 169 D CA 0.071 54.066 54.000 -0.008 0.000 0.873 169 D CB -0.063 40.765 40.800 0.047 0.000 0.925 169 D HN 0.250 nan 8.370 nan 0.000 0.524 170 R N 0.482 120.849 120.500 -0.220 0.000 3.531 170 R HA -0.153 4.188 4.340 0.002 0.000 0.280 170 R C -0.620 175.525 176.300 -0.259 0.000 1.130 170 R CA 0.663 56.560 56.100 -0.339 0.000 0.757 170 R CB -2.291 27.957 30.300 -0.087 0.000 1.218 170 R HN 0.414 nan 8.270 nan 0.000 0.454 171 E N 0.538 120.579 120.200 -0.266 0.000 2.299 171 E HA 0.360 4.711 4.350 0.002 0.000 0.265 171 E C -0.166 176.321 176.600 -0.187 0.000 0.911 171 E CA -1.065 55.246 56.400 -0.149 0.000 0.789 171 E CB 1.282 30.927 29.700 -0.093 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.485 120.087 118.700 -0.162 0.000 2.445 172 N HA 0.184 4.925 4.740 0.002 0.000 0.264 172 N C -0.366 175.002 175.510 -0.237 0.000 1.227 172 N CA -0.328 52.529 53.050 -0.322 0.000 0.963 172 N CB 0.977 39.000 38.487 -0.774 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.398 119.237 119.800 -0.276 0.000 2.495 173 Q HA 0.620 4.961 4.340 0.002 0.000 0.283 173 Q C -1.053 174.914 176.000 -0.055 0.000 1.097 173 Q CA -0.679 55.072 55.803 -0.087 0.000 0.836 173 Q CB 1.862 30.604 28.738 0.006 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.646 115.077 115.700 0.038 0.000 2.565 174 S HA 0.802 5.273 4.470 0.002 0.000 0.269 174 S C -1.405 173.242 174.600 0.078 0.000 1.153 174 S CA -0.729 57.529 58.200 0.096 0.000 0.835 174 S CB 0.784 64.062 63.200 0.132 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.404 122.044 120.570 0.117 0.000 2.512 175 I HA 0.395 4.566 4.170 0.002 0.000 0.287 175 I C -1.667 174.519 176.117 0.116 0.000 1.069 175 I CA -0.487 60.875 61.300 0.104 0.000 1.056 175 I CB 1.850 39.935 38.000 0.142 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.802 129.070 121.223 0.075 0.000 2.277 176 L HA 0.515 4.856 4.340 0.002 0.000 0.284 176 L C -0.399 176.578 176.870 0.179 0.000 1.028 176 L CA -0.045 54.881 54.840 0.143 0.000 0.835 176 L CB 0.719 42.875 42.059 0.162 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.367 123.027 120.570 0.151 0.000 2.353 177 I HA 0.583 4.755 4.170 0.002 0.000 0.293 177 I C 0.420 176.601 176.117 0.107 0.000 0.992 177 I CA 0.304 61.677 61.300 0.121 0.000 1.268 177 I CB 1.624 39.685 38.000 0.101 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.482 118.083 114.554 0.079 0.000 3.012 178 T HA 0.768 5.120 4.350 0.002 0.000 0.330 178 T C -0.642 174.071 174.700 0.022 0.000 1.321 178 T CA -0.648 61.488 62.100 0.059 0.000 1.067 178 T CB 1.799 70.709 68.868 0.070 0.000 1.235 178 T HN 0.943 nan 8.240 nan 0.000 0.479 179 G N 1.561 110.377 108.800 0.027 0.000 2.356 179 G HA2 0.506 4.467 3.960 0.002 0.000 0.294 179 G HA3 0.506 4.467 3.960 0.002 0.000 0.294 179 G C -1.556 173.360 174.900 0.028 0.000 1.423 179 G CA -0.870 44.237 45.100 0.010 0.000 0.806 179 G HN 0.690 nan 8.290 nan 0.000 0.527 180 E N 0.207 120.422 120.200 0.025 0.000 2.391 180 E HA 0.286 4.637 4.350 0.002 0.000 0.255 180 E C 1.202 177.833 176.600 0.052 0.000 1.187 180 E CA 0.110 56.536 56.400 0.044 0.000 0.941 180 E CB 1.128 30.855 29.700 0.045 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.843 116.585 115.700 0.070 0.000 2.414 181 S HA -0.217 4.255 4.470 0.002 0.000 0.241 181 S C 1.589 176.226 174.600 0.060 0.000 1.079 181 S CA 1.975 60.214 58.200 0.065 0.000 1.087 181 S CB -0.476 62.767 63.200 0.073 0.000 0.927 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.972 107.868 108.800 0.067 0.000 3.126 182 G HA2 0.456 4.417 3.960 0.002 0.000 0.224 182 G HA3 0.456 4.417 3.960 0.002 0.000 0.224 182 G C 1.242 176.190 174.900 0.080 0.000 1.142 182 G CA 0.586 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 0.333 123.178 122.820 0.041 0.000 2.070 183 A HA 0.381 4.702 4.320 0.002 0.000 0.220 183 A C 1.932 179.515 177.584 -0.001 0.000 1.159 183 A CA 1.494 53.533 52.037 0.004 0.000 0.656 183 A CB -0.538 18.458 19.000 -0.008 0.000 0.800 183 A HN 1.630 nan 8.150 nan 0.000 0.453 184 G N -0.564 108.255 108.800 0.031 0.000 2.452 184 G HA2 -0.225 3.736 3.960 0.002 0.000 0.275 184 G HA3 -0.225 3.736 3.960 0.002 0.000 0.275 184 G C 0.402 175.329 174.900 0.045 0.000 1.131 184 G CA 0.506 45.629 45.100 0.039 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.490 119.937 120.400 0.044 0.000 2.067 185 K HA 0.017 4.338 4.320 0.002 0.000 0.203 185 K C 2.560 179.197 176.600 0.061 0.000 1.048 185 K CA 1.481 57.798 56.287 0.051 0.000 0.954 185 K CB -0.451 32.077 32.500 0.046 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.156 116.742 114.554 0.053 0.000 2.649 186 T HA -0.195 4.157 4.350 0.002 0.000 0.268 186 T C 2.202 176.956 174.700 0.090 0.000 1.036 186 T CA 2.025 64.163 62.100 0.064 0.000 1.157 186 T CB -0.902 68.001 68.868 0.058 0.000 0.861 186 T HN 0.028 nan 8.240 nan 0.000 0.445 187 V N 2.687 122.656 119.914 0.092 0.000 2.282 187 V HA -0.261 3.860 4.120 0.002 0.000 0.249 187 V C 2.492 178.670 176.094 0.139 0.000 1.057 187 V CA 1.902 64.269 62.300 0.113 0.000 1.032 187 V CB -0.815 31.067 31.823 0.098 0.000 0.645 187 V HN 0.446 nan 8.190 nan 0.000 0.447 188 N N 0.240 119.008 118.700 0.114 0.000 2.106 188 N HA -0.066 4.675 4.740 0.002 0.000 0.188 188 N C 1.189 176.731 175.510 0.052 0.000 1.029 188 N CA 1.406 54.504 53.050 0.080 0.000 0.848 188 N CB -0.606 37.911 38.487 0.050 0.000 1.007 188 N HN 0.572 nan 8.380 nan 0.000 0.423 192 V N 1.738 121.648 119.914 -0.007 0.000 2.379 192 V HA -0.172 3.949 4.120 0.002 0.000 0.245 192 V C 2.135 178.317 176.094 0.146 0.000 1.044 192 V CA 1.908 64.187 62.300 -0.036 0.000 1.036 192 V CB -0.336 31.499 31.823 0.020 0.000 0.664 192 V HN 0.250 nan 8.190 nan 0.000 0.453 193 I N 0.122 120.822 120.570 0.216 0.000 2.163 193 I HA -0.284 3.888 4.170 0.002 0.000 0.243 193 I C 2.779 179.047 176.117 0.252 0.000 1.085 193 I CA 1.668 63.139 61.300 0.286 0.000 1.347 193 I CB -0.933 37.191 38.000 0.206 0.000 1.044 193 I HN 0.441 nan 8.210 nan 0.000 0.408 194 Q N 0.086 120.005 119.800 0.198 0.000 2.077 194 Q HA -0.288 4.053 4.340 0.002 0.000 0.206 194 Q C 2.213 178.301 176.000 0.146 0.000 0.989 194 Q CA 2.007 57.912 55.803 0.170 0.000 0.853 194 Q CB -0.937 27.911 28.738 0.183 0.000 0.907 194 Q HN 0.523 nan 8.270 nan 0.000 0.418 195 Y N 0.829 121.146 120.300 0.028 0.000 2.069 195 Y HA -0.305 4.246 4.550 0.002 0.000 0.278 195 Y C 2.059 177.838 175.900 -0.203 0.000 1.175 195 Y CA 1.710 59.749 58.100 -0.101 0.000 1.134 195 Y CB -0.529 37.808 38.460 -0.204 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.487 119.577 119.950 0.191 0.000 2.069 196 F HA -0.216 4.312 4.527 0.002 0.000 0.298 196 F C 2.633 178.465 175.800 0.054 0.000 1.113 196 F CA 1.438 59.519 58.000 0.136 0.000 1.214 196 F CB -1.432 37.798 39.000 0.383 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.111 123.075 122.820 0.240 0.000 1.883 197 A HA -0.237 4.085 4.320 0.002 0.000 0.217 197 A C 2.269 179.873 177.584 0.033 0.000 1.186 197 A CA 2.758 54.877 52.037 0.136 0.000 0.624 197 A CB -1.479 17.585 19.000 0.106 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.735 115.255 114.554 -0.055 0.000 2.588 198 T HA -0.195 4.157 4.350 0.002 0.000 0.261 198 T C 1.854 176.439 174.700 -0.192 0.000 1.069 198 T CA 1.479 63.502 62.100 -0.128 0.000 1.172 198 T CB -0.997 67.761 68.868 -0.182 0.000 0.863 198 T HN 0.811 nan 8.240 nan 0.000 0.408 199 I N 0.285 120.625 120.570 -0.383 0.000 3.102 199 I HA 0.225 4.397 4.170 0.002 0.000 0.278 199 I C 0.963 176.921 176.117 -0.266 0.000 1.316 199 I CA 1.060 62.113 61.300 -0.411 0.000 1.425 199 I CB -0.709 36.874 38.000 -0.694 0.000 1.073 199 I HN 0.335 nan 8.210 nan 0.000 0.503 200 A N 1.089 123.844 122.820 -0.108 0.000 3.367 200 A HA 0.732 5.054 4.320 0.002 0.000 0.208 200 A C 0.056 177.723 177.584 0.139 0.000 1.043 200 A CA 0.024 52.087 52.037 0.042 0.000 1.079 200 A CB -0.583 18.452 19.000 0.059 0.000 1.314 200 A HN 0.438 nan 8.150 nan 0.000 0.668 201 A N -0.186 122.676 122.820 0.071 0.000 2.309 201 A HA 0.702 5.023 4.320 0.002 0.000 0.298 201 A C 0.584 178.206 177.584 0.063 0.000 1.165 201 A CA -0.111 51.967 52.037 0.069 0.000 0.821 201 A CB 0.711 19.732 19.000 0.035 0.000 1.102 201 A HN 0.729 nan 8.150 nan 0.000 0.500 202 S N 1.670 117.407 115.700 0.061 0.000 2.592 202 S HA 0.359 4.830 4.470 0.002 0.000 0.243 202 S C 0.593 175.210 174.600 0.028 0.000 1.160 202 S CA 0.260 58.488 58.200 0.047 0.000 1.145 202 S CB -0.080 63.154 63.200 0.057 0.000 0.909 202 S HN 1.105 nan 8.310 nan 0.000 0.487 203 G N 1.489 110.303 108.800 0.023 0.000 4.403 203 G HA2 0.337 4.298 3.960 0.002 0.000 0.297 203 G HA3 0.337 4.298 3.960 0.002 0.000 0.297 203 G C 0.045 174.952 174.900 0.012 0.000 1.325 203 G CA -0.414 44.694 45.100 0.013 0.000 1.378 203 G HN 0.455 nan 8.290 nan 0.000 0.595 217 T N 1.471 116.021 114.554 -0.006 0.000 2.952 217 T HA 0.540 4.891 4.350 0.002 0.000 0.286 217 T C 1.469 176.162 174.700 -0.012 0.000 1.024 217 T CA -0.469 61.627 62.100 -0.008 0.000 1.029 217 T CB 2.348 71.217 68.868 0.002 0.000 1.094 217 T HN 0.218 nan 8.240 nan 0.000 0.515 218 L N 0.783 121.996 121.223 -0.017 0.000 1.978 218 L HA -0.230 4.111 4.340 0.002 0.000 0.218 218 L C 2.522 179.386 176.870 -0.011 0.000 1.075 218 L CA 1.829 56.654 54.840 -0.025 0.000 0.767 218 L CB -0.432 41.609 42.059 -0.029 0.000 0.890 218 L HN 0.761 nan 8.230 nan 0.000 0.434 219 E N -0.108 120.094 120.200 0.004 0.000 2.301 219 E HA -0.258 4.093 4.350 0.002 0.000 0.202 219 E C 1.503 178.119 176.600 0.026 0.000 1.017 219 E CA 1.637 58.050 56.400 0.021 0.000 0.831 219 E CB -0.163 29.553 29.700 0.028 0.000 0.742 219 E HN 0.633 nan 8.360 nan 0.000 0.491 220 D N -0.370 120.040 120.400 0.017 0.000 2.369 220 D HA -0.050 4.592 4.640 0.002 0.000 0.231 220 D C 1.935 178.246 176.300 0.019 0.000 0.967 220 D CA 0.421 54.435 54.000 0.023 0.000 0.905 220 D CB -0.386 40.425 40.800 0.019 0.000 1.044 220 D HN 0.236 nan 8.370 nan 0.000 0.487 221 Q N 0.986 120.786 119.800 0.001 0.000 2.077 221 Q HA -0.147 4.194 4.340 0.002 0.000 0.206 221 Q C 2.358 178.355 176.000 -0.005 0.000 0.989 221 Q CA 0.901 56.697 55.803 -0.011 0.000 0.853 221 Q CB -0.187 28.527 28.738 -0.040 0.000 0.907 221 Q HN 0.265 nan 8.270 nan 0.000 0.418 222 I N 1.324 121.891 120.570 -0.006 0.000 2.113 222 I HA -0.301 3.870 4.170 0.002 0.000 0.242 222 I C 2.488 178.624 176.117 0.032 0.000 1.064 222 I CA 1.536 62.838 61.300 0.003 0.000 1.320 222 I CB -0.844 37.163 38.000 0.011 0.000 1.028 222 I HN 0.242 nan 8.210 nan 0.000 0.406 223 I N -0.003 120.594 120.570 0.044 0.000 2.162 223 I HA -0.220 3.951 4.170 0.002 0.000 0.238 223 I C 2.551 178.706 176.117 0.063 0.000 1.076 223 I CA 1.075 62.414 61.300 0.064 0.000 1.353 223 I CB -0.704 37.336 38.000 0.067 0.000 1.063 223 I HN 0.134 nan 8.210 nan 0.000 0.408 224 S N 1.068 116.798 115.700 0.050 0.000 2.441 224 S HA -0.237 4.234 4.470 0.002 0.000 0.242 224 S C 2.145 176.780 174.600 0.058 0.000 1.018 224 S CA 1.272 59.504 58.200 0.053 0.000 0.988 224 S CB -0.419 62.807 63.200 0.042 0.000 0.778 224 S HN 0.549 nan 8.310 nan 0.000 0.498 225 A N 3.222 126.071 122.820 0.048 0.000 1.859 225 A HA -0.260 4.061 4.320 0.002 0.000 0.217 225 A C 1.955 179.587 177.584 0.080 0.000 1.198 225 A CA 1.905 53.968 52.037 0.043 0.000 0.629 225 A CB -0.924 18.090 19.000 0.023 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.550 119.313 118.700 0.106 0.000 2.027 226 N HA -0.174 4.568 4.740 0.002 0.000 0.200 226 N C -0.923 174.689 175.510 0.171 0.000 1.042 226 N CA 2.047 55.188 53.050 0.153 0.000 0.871 226 N CB -2.277 36.298 38.487 0.148 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 1.552 178.935 177.300 0.139 0.000 1.145 227 P CA 0.671 63.851 63.100 0.134 0.000 0.769 227 P CB -0.001 31.758 31.700 0.098 0.000 0.769 228 L N -1.323 119.987 121.223 0.144 0.000 2.185 228 L HA 0.067 4.409 4.340 0.002 0.000 0.198 228 L C 2.100 179.149 176.870 0.299 0.000 1.079 228 L CA 1.293 56.235 54.840 0.171 0.000 0.780 228 L CB -1.444 40.665 42.059 0.083 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.487 121.844 121.223 0.224 0.000 2.051 229 L HA -0.256 4.085 4.340 0.002 0.000 0.214 229 L C 2.593 179.760 176.870 0.494 0.000 1.076 229 L CA 1.770 56.789 54.840 0.299 0.000 0.758 229 L CB -1.247 40.975 42.059 0.270 0.000 0.890 229 L HN 0.437 nan 8.230 nan 0.000 0.433 230 E N -1.107 119.341 120.200 0.413 0.000 2.153 230 E HA -0.179 4.173 4.350 0.002 0.000 0.194 230 E C 2.167 178.978 176.600 0.353 0.000 0.988 230 E CA 1.098 57.739 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 0.273 123.231 122.820 0.229 0.000 2.015 231 A HA -0.103 4.219 4.320 0.002 0.000 0.219 231 A C 1.657 179.127 177.584 -0.190 0.000 1.163 231 A CA 1.023 53.063 52.037 0.006 0.000 0.646 231 A CB -0.335 18.497 19.000 -0.281 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.229 118.807 119.950 0.144 0.000 2.559 232 F HA 0.252 4.780 4.527 0.002 0.000 0.286 232 F C 2.260 178.011 175.800 -0.082 0.000 1.108 232 F CA 0.730 58.763 58.000 0.055 0.000 1.436 232 F CB -0.049 38.972 39.000 0.035 0.000 1.130 232 F HN 0.243 nan 8.300 nan 0.000 0.584 233 G N -0.759 108.262 108.800 0.368 0.000 3.393 233 G HA2 0.159 4.121 3.960 0.002 0.000 0.255 233 G HA3 0.159 4.121 3.960 0.002 0.000 0.255 233 G C -0.295 175.070 174.900 0.775 0.000 1.097 233 G CA -0.038 45.296 45.100 0.389 0.000 0.780 233 G HN 0.071 nan 8.290 nan 0.000 0.540 234 N N -0.223 118.793 118.700 0.526 0.000 2.265 234 N HA 0.825 5.566 4.740 0.002 0.000 0.300 234 N C -0.325 174.979 175.510 -0.344 0.000 1.148 234 N CA -0.006 53.141 53.050 0.163 0.000 0.772 234 N CB 2.325 40.926 38.487 0.190 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.096 120.988 119.914 -0.037 0.000 2.913 238 V HA -0.040 4.081 4.120 0.002 0.000 0.260 238 V C 1.994 178.076 176.094 -0.019 0.000 1.098 238 V CA 1.756 64.035 62.300 -0.035 0.000 1.121 238 V CB -0.497 31.301 31.823 -0.040 0.000 0.714 238 V HN 0.666 nan 8.190 nan 0.000 0.487 239 R N -0.522 119.977 120.500 -0.002 0.000 2.087 239 R HA 0.162 4.504 4.340 0.002 0.000 0.213 239 R C 0.901 177.220 176.300 0.031 0.000 1.137 239 R CA 0.366 56.477 56.100 0.019 0.000 1.022 239 R CB -0.073 30.251 30.300 0.040 0.000 0.920 239 R HN 0.429 nan 8.270 nan 0.000 0.451 240 N N 0.068 118.791 118.700 0.038 0.000 2.483 240 N HA 0.050 4.791 4.740 0.002 0.000 0.285 240 N C -0.397 175.137 175.510 0.041 0.000 1.210 240 N CA -0.112 52.971 53.050 0.055 0.000 0.931 240 N CB 1.600 40.128 38.487 0.069 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 0.055 0.000 2.423 241 D HA 0.118 4.760 4.640 0.002 0.000 0.208 241 D C -0.396 175.974 176.300 0.115 0.000 1.068 241 D CA 0.525 54.557 54.000 0.053 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 -0.054 118.725 118.700 0.131 0.000 2.703 242 N HA 0.102 4.843 4.740 0.002 0.000 0.283 242 N C -1.402 174.194 175.510 0.142 0.000 1.851 242 N CA -0.059 53.117 53.050 0.210 0.000 0.826 242 N CB 0.656 39.258 38.487 0.190 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.211 115.543 115.700 0.090 0.000 2.565 243 S HA 0.268 4.739 4.470 0.002 0.000 0.276 243 S C 0.110 174.731 174.600 0.035 0.000 1.326 243 S CA -0.195 58.035 58.200 0.049 0.000 1.045 243 S CB 0.490 63.705 63.200 0.025 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.271 118.966 115.700 -0.009 0.000 2.430 244 S HA 0.205 4.677 4.470 0.002 0.000 0.282 244 S C 0.940 175.500 174.600 -0.067 0.000 1.186 244 S CA -0.487 57.642 58.200 -0.119 0.000 1.060 244 S CB 0.012 63.068 63.200 -0.241 0.000 0.966 244 S HN 0.577 nan 8.310 nan 0.000 0.501 245 R N 3.376 123.933 120.500 0.096 0.000 2.480 245 R HA 0.198 4.539 4.340 0.002 0.000 0.277 245 R C -0.425 176.069 176.300 0.322 0.000 1.008 245 R CA 0.106 56.327 56.100 0.203 0.000 1.090 245 R CB -0.563 29.861 30.300 0.208 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.757 116.271 119.950 0.131 0.000 2.741 246 F HA 0.709 5.237 4.527 0.002 0.000 0.313 246 F C -0.246 175.669 175.800 0.192 0.000 1.153 246 F CA -1.532 56.552 58.000 0.139 0.000 0.931 246 F CB 0.529 39.593 39.000 0.105 0.000 1.335 246 F HN -0.136 nan 8.300 nan 0.000 0.460 250 I N 5.516 125.925 120.570 -0.269 0.000 2.359 250 I HA 0.540 4.711 4.170 0.002 0.000 0.294 250 I C -0.245 175.556 176.117 -0.526 0.000 0.987 250 I CA -0.731 60.385 61.300 -0.306 0.000 1.225 250 I CB 1.789 39.724 38.000 -0.109 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.992 126.227 120.500 -0.440 0.000 2.275 251 R HA 0.530 4.872 4.340 0.002 0.000 0.326 251 R C -1.031 175.077 176.300 -0.321 0.000 0.973 251 R CA -0.482 55.324 56.100 -0.491 0.000 0.854 251 R CB 0.999 30.867 30.300 -0.720 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.466 123.875 120.570 -0.269 0.000 2.322 252 I HA 0.110 4.282 4.170 0.002 0.000 0.292 252 I C -0.047 175.799 176.117 -0.452 0.000 1.060 252 I CA -0.376 60.701 61.300 -0.371 0.000 1.309 252 I CB 0.533 38.244 38.000 -0.481 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.469 125.346 119.070 -0.322 0.000 2.846 253 H HA 0.319 4.876 4.556 0.002 0.000 0.278 253 H C -0.551 174.620 175.328 -0.261 0.000 1.117 253 H CA -0.083 55.880 56.048 -0.142 0.000 1.406 253 H CB 0.170 29.878 29.762 -0.091 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.015 121.069 119.950 0.174 0.000 2.380 254 F HA 0.320 4.849 4.527 0.002 0.000 0.325 254 F C 1.600 177.453 175.800 0.088 0.000 1.136 254 F CA 0.032 58.126 58.000 0.156 0.000 1.171 254 F CB 0.802 39.931 39.000 0.215 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.245 109.203 108.800 0.263 0.000 2.494 255 G HA2 0.414 4.375 3.960 0.002 0.000 0.270 255 G HA3 0.414 4.375 3.960 0.002 0.000 0.270 255 G C 0.698 175.607 174.900 0.015 0.000 1.423 255 G CA -0.053 45.105 45.100 0.096 0.000 1.055 255 G HN 0.805 nan 8.290 nan 0.000 0.536 256 A N -1.444 121.365 122.820 -0.019 0.000 1.903 256 A HA 0.081 4.402 4.320 0.002 0.000 0.213 256 A C 2.552 180.175 177.584 0.064 0.000 1.185 256 A CA 2.349 54.364 52.037 -0.037 0.000 0.628 256 A CB -1.136 17.846 19.000 -0.030 0.000 0.830 256 A HN 0.835 nan 8.150 nan 0.000 0.446 257 T N -3.147 111.450 114.554 0.072 0.000 2.622 257 T HA 0.233 4.584 4.350 0.002 0.000 0.266 257 T C 1.524 176.293 174.700 0.115 0.000 1.047 257 T CA 2.047 64.199 62.100 0.086 0.000 1.159 257 T CB -0.594 68.325 68.868 0.085 0.000 0.863 257 T HN 1.523 nan 8.240 nan 0.000 0.422 258 G N 0.235 109.133 108.800 0.164 0.000 2.870 258 G HA2 0.019 3.980 3.960 0.002 0.000 0.216 258 G HA3 0.019 3.980 3.960 0.002 0.000 0.216 258 G C -0.176 174.942 174.900 0.364 0.000 0.973 258 G CA -0.588 44.633 45.100 0.201 0.000 0.807 258 G HN 0.501 nan 8.290 nan 0.000 0.573 259 K N 0.980 121.559 120.400 0.298 0.000 2.110 259 K HA 0.534 4.855 4.320 0.002 0.000 0.263 259 K C 0.870 177.665 176.600 0.325 0.000 0.975 259 K CA -0.795 55.674 56.287 0.304 0.000 0.895 259 K CB 1.930 34.536 32.500 0.176 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.495 122.908 121.223 0.316 0.000 2.640 260 L HA -0.246 4.095 4.340 0.002 0.000 0.300 260 L C 1.059 177.947 176.870 0.031 0.000 1.259 260 L CA 0.552 55.456 54.840 0.107 0.000 0.879 260 L CB 0.285 42.378 42.059 0.057 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.743 124.531 122.820 -0.053 0.000 1.895 261 A HA 0.385 4.706 4.320 0.002 0.000 0.198 261 A C 0.352 177.893 177.584 -0.072 0.000 1.709 261 A CA 0.287 52.303 52.037 -0.035 0.000 1.194 261 A CB 0.576 19.575 19.000 -0.003 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.946 113.704 115.700 -0.083 0.000 2.611 262 S HA 0.759 5.230 4.470 0.002 0.000 0.268 262 S C -0.618 173.956 174.600 -0.042 0.000 1.156 262 S CA -0.093 58.052 58.200 -0.090 0.000 0.817 262 S CB 1.543 64.633 63.200 -0.182 0.000 1.122 262 S HN 1.479 nan 8.310 nan 0.000 0.466 263 A N 0.478 123.270 122.820 -0.048 0.000 2.532 263 A HA 0.888 5.210 4.320 0.002 0.000 0.290 263 A C -1.924 175.630 177.584 -0.050 0.000 1.143 263 A CA -0.478 51.534 52.037 -0.041 0.000 0.728 263 A CB 1.692 20.642 19.000 -0.083 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.116 121.468 120.400 -0.081 0.000 2.354 264 D HA 0.351 4.992 4.640 0.002 0.000 0.230 264 D C -1.246 174.983 176.300 -0.119 0.000 1.361 264 D CA -0.020 53.918 54.000 -0.103 0.000 0.992 264 D CB 0.844 41.586 40.800 -0.097 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.448 121.958 120.570 -0.101 0.000 2.566 265 I HA 0.413 4.585 4.170 0.002 0.000 0.303 265 I C 0.276 176.352 176.117 -0.068 0.000 0.983 265 I CA -0.535 60.723 61.300 -0.070 0.000 1.235 265 I CB 1.810 39.770 38.000 -0.067 0.000 1.386 265 I HN 0.212 nan 8.210 nan 0.000 0.494 266 E N 2.187 122.369 120.200 -0.029 0.000 2.304 266 E HA 0.406 4.758 4.350 0.002 0.000 0.277 266 E C -1.575 174.877 176.600 -0.247 0.000 0.898 266 E CA -0.495 55.822 56.400 -0.139 0.000 0.764 266 E CB 2.150 31.780 29.700 -0.118 0.000 1.216 266 E HN 0.545 nan 8.360 nan 0.000 0.419 267 T N 2.715 117.083 114.554 -0.310 0.000 2.855 267 T HA 0.536 4.887 4.350 0.002 0.000 0.281 267 T C -1.409 173.103 174.700 -0.314 0.000 1.007 267 T CA -0.346 61.672 62.100 -0.135 0.000 1.009 267 T CB 0.419 69.326 68.868 0.066 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.875 121.359 120.300 0.307 0.000 2.442 268 Y HA 0.525 5.076 4.550 0.002 0.000 0.344 268 Y C 0.009 176.046 175.900 0.229 0.000 0.976 268 Y CA -1.721 56.531 58.100 0.254 0.000 1.040 268 Y CB 1.064 39.677 38.460 0.255 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.039 124.437 121.223 0.292 0.000 3.642 269 L HA -0.250 4.091 4.340 0.002 0.000 0.613 269 L C -0.809 176.156 176.870 0.159 0.000 1.064 269 L CA 0.228 55.155 54.840 0.145 0.000 1.039 269 L CB -0.780 41.322 42.059 0.071 0.000 1.226 269 L HN 0.496 nan 8.230 nan 0.000 0.764 270 L N 2.285 123.570 121.223 0.104 0.000 2.350 270 L HA 0.383 4.724 4.340 0.002 0.000 0.275 270 L C 0.877 177.795 176.870 0.080 0.000 1.099 270 L CA 0.377 55.255 54.840 0.063 0.000 0.808 270 L CB 1.242 43.200 42.059 -0.169 0.000 1.149 270 L HN 0.360 nan 8.230 nan 0.000 0.442 274 R N 1.708 122.245 120.500 0.061 0.000 2.091 274 R HA -0.022 4.319 4.340 0.002 0.000 0.238 274 R C 1.864 178.149 176.300 -0.024 0.000 1.136 274 R CA 1.786 57.869 56.100 -0.028 0.000 0.959 274 R CB -0.832 29.277 30.300 -0.319 0.000 0.856 274 R HN 0.331 nan 8.270 nan 0.000 0.437 275 V N 0.314 120.241 119.914 0.020 0.000 2.527 275 V HA -0.260 3.861 4.120 0.002 0.000 0.255 275 V C 1.752 177.670 176.094 -0.292 0.000 1.081 275 V CA 2.180 64.398 62.300 -0.136 0.000 1.092 275 V CB -0.464 31.206 31.823 -0.254 0.000 0.673 275 V HN 0.425 nan 8.190 nan 0.000 0.470 276 T N -2.551 111.830 114.554 -0.287 0.000 2.958 276 T HA 0.324 4.675 4.350 0.002 0.000 0.256 276 T C -0.186 174.409 174.700 -0.175 0.000 0.983 276 T CA 0.001 61.796 62.100 -0.508 0.000 0.924 276 T CB 0.357 68.967 68.868 -0.430 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.051 121.852 119.950 -0.247 0.000 2.692 277 F HA 0.631 5.159 4.527 0.002 0.000 0.320 277 F C -1.858 173.853 175.800 -0.149 0.000 1.123 277 F CA -0.891 57.002 58.000 -0.179 0.000 0.961 277 F CB 1.603 40.523 39.000 -0.133 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.504 122.727 119.800 -0.961 0.000 2.518 278 Q HA 0.324 4.665 4.340 0.002 0.000 0.254 278 Q C -2.167 173.229 176.000 -1.006 0.000 0.962 278 Q CA -0.783 54.571 55.803 -0.748 0.000 0.982 278 Q CB 1.666 30.188 28.738 -0.360 0.000 1.516 278 Q HN 0.786 nan 8.270 nan 0.000 0.426 279 L N 2.581 123.442 121.223 -0.602 0.000 2.472 279 L HA 0.197 4.538 4.340 0.002 0.000 0.260 279 L C -1.199 175.504 176.870 -0.278 0.000 1.209 279 L CA -1.554 53.051 54.840 -0.392 0.000 0.817 279 L CB 0.241 42.196 42.059 -0.173 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.150 nan 4.420 nan 0.000 0.218 280 P C 0.513 177.752 177.300 -0.102 0.000 1.148 280 P CA 1.248 64.272 63.100 -0.125 0.000 0.822 280 P CB 0.185 31.836 31.700 -0.081 0.000 0.784 281 A N -1.382 121.378 122.820 -0.099 0.000 2.348 281 A HA 0.108 4.429 4.320 0.002 0.000 0.224 281 A C 0.872 178.397 177.584 -0.097 0.000 1.227 281 A CA -0.003 51.984 52.037 -0.084 0.000 0.885 281 A CB -0.177 18.783 19.000 -0.066 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.170 119.955 120.200 -0.124 0.000 2.469 282 E HA 0.671 5.022 4.350 0.002 0.000 0.246 282 E C -0.319 176.191 176.600 -0.150 0.000 0.969 282 E CA -1.008 55.313 56.400 -0.131 0.000 0.881 282 E CB 0.989 30.605 29.700 -0.139 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.859 119.557 120.500 -0.140 0.000 2.752 283 R HA 0.456 4.797 4.340 0.002 0.000 0.271 283 R C -0.828 175.436 176.300 -0.060 0.000 1.026 283 R CA -0.673 55.362 56.100 -0.108 0.000 0.901 283 R CB 1.610 31.788 30.300 -0.204 0.000 1.243 283 R HN 0.437 nan 8.270 nan 0.000 0.463 284 S N -0.285 115.487 115.700 0.120 0.000 2.640 284 S HA 0.296 4.767 4.470 0.002 0.000 0.262 284 S C -0.410 174.254 174.600 0.105 0.000 1.232 284 S CA -0.550 57.669 58.200 0.032 0.000 0.988 284 S CB 0.051 63.297 63.200 0.077 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.424 121.841 120.300 0.194 0.000 2.812 285 Y HA -0.024 4.528 4.550 0.002 0.000 0.348 285 Y C 2.008 177.995 175.900 0.144 0.000 1.274 285 Y CA 0.709 58.843 58.100 0.056 0.000 1.489 285 Y CB 0.187 38.684 38.460 0.063 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.376 120.619 119.070 0.287 0.000 2.326 286 H HA -0.151 4.407 4.556 0.002 0.000 0.301 286 H C 2.355 177.731 175.328 0.079 0.000 1.081 286 H CA 1.670 57.854 56.048 0.227 0.000 1.334 286 H CB -0.455 29.377 29.762 0.116 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.783 121.306 120.570 -0.078 0.000 2.161 287 I HA -0.404 3.767 4.170 0.002 0.000 0.246 287 I C 1.918 177.872 176.117 -0.271 0.000 1.048 287 I CA 1.593 62.667 61.300 -0.377 0.000 1.314 287 I CB -0.291 37.161 38.000 -0.913 0.000 1.014 287 I HN -0.045 nan 8.210 nan 0.000 0.418 288 F N -0.211 119.648 119.950 -0.152 0.000 2.069 288 F HA -0.235 4.293 4.527 0.002 0.000 0.298 288 F C 2.217 177.805 175.800 -0.353 0.000 1.113 288 F CA 1.903 59.700 58.000 -0.339 0.000 1.214 288 F CB -1.319 37.317 39.000 -0.607 0.000 0.978 288 F HN 0.110 nan 8.300 nan 0.000 0.474 289 Y N -0.587 119.829 120.300 0.193 0.000 2.373 289 Y HA -0.124 4.427 4.550 0.002 0.000 0.293 289 Y C 2.454 178.382 175.900 0.047 0.000 1.129 289 Y CA 0.770 58.926 58.100 0.093 0.000 1.226 289 Y CB -1.072 37.438 38.460 0.083 0.000 1.000 289 Y HN 0.114 nan 8.280 nan 0.000 0.549 290 Q N 0.508 120.401 119.800 0.155 0.000 1.967 290 Q HA -0.175 4.166 4.340 0.002 0.000 0.202 290 Q C 2.260 178.288 176.000 0.046 0.000 0.985 290 Q CA 2.028 57.878 55.803 0.077 0.000 0.839 290 Q CB -0.341 28.414 28.738 0.029 0.000 0.906 290 Q HN 0.442 nan 8.270 nan 0.000 0.423 291 I N 0.163 120.746 120.570 0.021 0.000 2.145 291 I HA -0.346 3.825 4.170 0.002 0.000 0.244 291 I C 2.062 178.170 176.117 -0.015 0.000 1.075 291 I CA 1.433 62.731 61.300 -0.004 0.000 1.332 291 I CB -0.226 37.772 38.000 -0.003 0.000 1.033 291 I HN 0.431 nan 8.210 nan 0.000 0.410 292 M N 0.031 119.631 119.600 -0.001 0.000 2.659 292 M HA -0.064 4.418 4.480 0.002 0.000 0.243 292 M C 2.213 178.535 176.300 0.037 0.000 1.111 292 M CA 0.736 56.039 55.300 0.005 0.000 1.070 292 M CB -0.228 32.371 32.600 -0.001 0.000 1.525 292 M HN 0.288 nan 8.290 nan 0.000 0.517 293 S N 0.293 116.018 115.700 0.042 0.000 2.402 293 S HA -0.074 4.397 4.470 0.002 0.000 0.229 293 S C 0.642 175.257 174.600 0.024 0.000 1.021 293 S CA 0.897 59.122 58.200 0.042 0.000 0.974 293 S CB -0.366 62.858 63.200 0.039 0.000 0.800 293 S HN 0.705 nan 8.310 nan 0.000 0.484 298 E N 1.157 121.335 120.200 -0.038 0.000 2.097 298 E HA -0.150 4.201 4.350 0.002 0.000 0.196 298 E C 1.774 178.346 176.600 -0.048 0.000 1.000 298 E CA 1.295 57.675 56.400 -0.033 0.000 0.804 298 E CB -0.636 29.042 29.700 -0.038 0.000 0.740 298 E HN 0.138 nan 8.360 nan 0.000 0.454 299 L N 0.363 121.524 121.223 -0.104 0.000 2.021 299 L HA -0.215 4.126 4.340 0.002 0.000 0.215 299 L C 2.236 179.063 176.870 -0.071 0.000 1.074 299 L CA 1.530 56.276 54.840 -0.157 0.000 0.760 299 L CB -0.611 41.275 42.059 -0.288 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.624 119.920 120.570 -0.043 0.000 2.208 300 I HA -0.304 3.867 4.170 0.002 0.000 0.245 300 I C 2.068 178.209 176.117 0.040 0.000 1.097 300 I CA 1.569 62.868 61.300 -0.001 0.000 1.363 300 I CB -0.386 37.617 38.000 0.006 0.000 1.051 300 I HN 0.341 nan 8.210 nan 0.000 0.413 301 D N -0.544 119.876 120.400 0.033 0.000 2.213 301 D HA -0.111 4.531 4.640 0.002 0.000 0.205 301 D C 2.118 178.462 176.300 0.073 0.000 0.961 301 D CA 0.911 54.942 54.000 0.052 0.000 0.853 301 D CB -0.061 40.760 40.800 0.035 0.000 0.967 301 D HN 0.365 nan 8.370 nan 0.000 0.496 302 M N 0.350 119.984 119.600 0.057 0.000 2.132 302 M HA -0.148 4.334 4.480 0.002 0.000 0.263 302 M C 1.329 177.709 176.300 0.132 0.000 1.065 302 M CA 1.308 56.657 55.300 0.082 0.000 1.122 302 M CB 0.179 32.796 32.600 0.029 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.254 121.545 121.223 0.114 0.000 2.446 303 L HA 0.242 4.583 4.340 0.002 0.000 0.219 303 L C 0.686 177.719 176.870 0.270 0.000 1.116 303 L CA 0.813 55.754 54.840 0.169 0.000 0.844 303 L CB -0.380 41.744 42.059 0.107 0.000 0.970 303 L HN 0.468 nan 8.230 nan 0.000 0.457 304 L N -0.521 120.831 121.223 0.215 0.000 3.487 304 L HA -0.206 4.135 4.340 0.002 0.000 0.450 304 L C -0.264 176.809 176.870 0.339 0.000 1.290 304 L CA 0.097 55.083 54.840 0.244 0.000 0.874 304 L CB -2.039 40.151 42.059 0.219 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.528 116.177 120.570 0.226 0.000 3.445 305 I HA 0.879 5.050 4.170 0.002 0.000 0.303 305 I C 0.823 177.064 176.117 0.206 0.000 1.129 305 I CA -0.447 61.003 61.300 0.249 0.000 0.989 305 I CB 1.782 39.769 38.000 -0.021 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.346 112.379 114.554 0.284 0.000 2.876 306 T HA 0.389 4.740 4.350 0.002 0.000 0.277 306 T C 0.731 175.516 174.700 0.141 0.000 0.997 306 T CA 0.190 62.411 62.100 0.202 0.000 0.966 306 T CB 1.208 70.210 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 0.207 4.558 4.350 0.002 0.000 0.251 307 T C 0.570 175.342 174.700 0.119 0.000 1.040 307 T CA -0.294 61.860 62.100 0.090 0.000 0.985 307 T CB -0.308 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 2.724 121.525 118.700 0.167 0.000 2.439 308 N HA 0.322 5.064 4.740 0.002 0.000 0.249 308 N C -2.221 173.437 175.510 0.247 0.000 1.003 308 N CA -2.613 50.556 53.050 0.199 0.000 0.942 308 N CB 1.838 40.443 38.487 0.197 0.000 1.115 308 N HN -0.072 nan 8.380 nan 0.000 0.505 309 P HA -0.029 nan 4.420 nan 0.000 0.226 309 P C 0.274 177.619 177.300 0.076 0.000 1.153 309 P CA 0.928 64.095 63.100 0.111 0.000 0.777 309 P CB -0.041 31.624 31.700 -0.057 0.000 0.794 310 Y N -0.424 119.962 120.300 0.143 0.000 2.584 310 Y HA -0.044 4.507 4.550 0.002 0.000 0.317 310 Y C 1.450 177.355 175.900 0.008 0.000 1.208 310 Y CA 0.694 58.842 58.100 0.080 0.000 1.299 310 Y CB -0.827 37.663 38.460 0.050 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.652 118.790 120.400 0.071 0.000 2.369 311 D HA 0.028 4.669 4.640 0.002 0.000 0.211 311 D C -0.755 175.029 176.300 -0.861 0.000 1.077 311 D CA 0.497 54.269 54.000 -0.380 0.000 0.842 311 D CB 0.156 40.648 40.800 -0.514 0.000 0.947 311 D HN 0.227 nan 8.370 nan 0.000 0.509 312 Y N -0.156 120.143 120.300 -0.002 0.000 2.705 312 Y HA 0.186 4.737 4.550 0.002 0.000 0.355 312 Y C 1.103 177.000 175.900 -0.005 0.000 1.039 312 Y CA -1.018 57.051 58.100 -0.052 0.000 1.233 312 Y CB 0.188 38.561 38.460 -0.145 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.155 120.228 119.070 0.005 0.000 2.330 313 H HA -0.305 4.252 4.556 0.002 0.000 0.290 313 H C 1.334 176.749 175.328 0.144 0.000 1.111 313 H CA 2.544 58.623 56.048 0.050 0.000 1.226 313 H CB -0.017 29.746 29.762 0.001 0.000 1.355 313 H HN 0.608 nan 8.280 nan 0.000 0.485 314 Y N -0.342 119.846 120.300 -0.186 0.000 2.193 314 Y HA -0.142 4.409 4.550 0.002 0.000 0.285 314 Y C 2.729 178.444 175.900 -0.309 0.000 1.166 314 Y CA 1.586 59.523 58.100 -0.272 0.000 1.181 314 Y CB -0.804 37.555 38.460 -0.169 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.153 117.685 119.914 -0.127 0.000 3.319 315 V HA 0.311 4.433 4.120 0.002 0.000 0.317 315 V C 0.572 176.635 176.094 -0.051 0.000 1.411 315 V CA 0.673 62.844 62.300 -0.216 0.000 1.112 315 V CB -0.201 31.285 31.823 -0.561 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -2.046 113.615 115.700 -0.065 0.000 2.901 316 S HA 0.394 4.866 4.470 0.002 0.000 0.248 316 S C 0.558 175.124 174.600 -0.057 0.000 1.021 316 S CA -0.140 58.000 58.200 -0.101 0.000 1.090 316 S CB 0.151 63.196 63.200 -0.259 0.000 1.039 316 S HN 0.545 nan 8.310 nan 0.000 0.514 317 E N 0.839 120.978 120.200 -0.101 0.000 2.299 317 E HA 0.149 4.500 4.350 0.002 0.000 0.193 317 E C 1.465 177.991 176.600 -0.125 0.000 0.998 317 E CA 0.700 57.033 56.400 -0.113 0.000 0.851 317 E CB 0.151 29.705 29.700 -0.243 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.518 109.231 108.800 -0.145 0.000 3.198 318 G HA2 0.153 4.114 3.960 0.002 0.000 0.203 318 G HA3 0.153 4.114 3.960 0.002 0.000 0.203 318 G C 0.076 174.917 174.900 -0.097 0.000 1.950 318 G CA -0.352 44.662 45.100 -0.142 0.000 0.798 318 G HN -0.071 nan 8.290 nan 0.000 0.720 319 E N -0.786 119.335 120.200 -0.133 0.000 2.249 319 E HA 0.531 4.882 4.350 0.002 0.000 0.263 319 E C 0.457 176.898 176.600 -0.265 0.000 0.950 319 E CA -0.587 55.724 56.400 -0.149 0.000 0.827 319 E CB 2.659 32.275 29.700 -0.141 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.391 120.010 120.570 -0.282 0.000 3.971 320 I HA 0.023 4.194 4.170 0.002 0.000 0.303 320 I C 0.963 176.817 176.117 -0.438 0.000 1.233 320 I CA 0.512 61.565 61.300 -0.411 0.000 1.346 320 I CB 1.014 38.889 38.000 -0.208 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.120 115.531 114.554 -0.237 0.000 2.863 321 T HA 0.663 5.014 4.350 0.002 0.000 0.285 321 T C -1.121 173.494 174.700 -0.142 0.000 1.009 321 T CA -0.480 61.518 62.100 -0.171 0.000 0.989 321 T CB 1.545 70.365 68.868 -0.080 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.757 127.596 119.914 -0.125 0.000 2.483 322 V HA 0.343 4.464 4.120 0.002 0.000 0.297 322 V C -1.628 174.425 176.094 -0.069 0.000 1.027 322 V CA -1.666 60.578 62.300 -0.093 0.000 0.855 322 V CB 1.785 33.551 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 1.647 178.923 177.300 -0.039 0.000 1.153 323 P CA 1.706 64.782 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 -1.098 114.578 115.700 -0.040 0.000 2.603 324 S HA 0.009 4.480 4.470 0.002 0.000 0.229 324 S C 0.808 175.382 174.600 -0.043 0.000 0.972 324 S CA -0.058 58.121 58.200 -0.034 0.000 0.935 324 S CB -1.237 61.949 63.200 -0.024 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.598 121.131 120.570 -0.061 0.000 2.474 325 I HA 0.513 4.684 4.170 0.002 0.000 0.294 325 I C -1.102 174.975 176.117 -0.066 0.000 1.005 325 I CA -0.907 60.343 61.300 -0.083 0.000 1.113 325 I CB 1.682 39.599 38.000 -0.139 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.638 125.003 120.400 -0.057 0.000 2.479 326 D HA 0.167 4.808 4.640 0.002 0.000 0.247 326 D C 0.736 177.017 176.300 -0.031 0.000 1.119 326 D CA -0.228 53.751 54.000 -0.035 0.000 0.922 326 D CB 0.641 41.427 40.800 -0.024 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.876 122.261 120.400 -0.024 0.000 2.203 327 D HA -0.220 4.421 4.640 0.002 0.000 0.199 327 D C 1.518 177.824 176.300 0.009 0.000 0.997 327 D CA 1.101 55.100 54.000 -0.001 0.000 0.863 327 D CB 0.365 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 0.495 120.299 119.800 0.006 0.000 2.079 328 Q HA -0.123 4.218 4.340 0.002 0.000 0.200 328 Q C 2.040 178.044 176.000 0.007 0.000 0.974 328 Q CA 0.792 56.600 55.803 0.008 0.000 0.840 328 Q CB -0.148 28.593 28.738 0.006 0.000 0.898 328 Q HN 0.435 nan 8.270 nan 0.000 0.430 329 E N 0.533 120.734 120.200 0.002 0.000 2.072 329 E HA -0.147 4.205 4.350 0.002 0.000 0.190 329 E C 1.993 178.598 176.600 0.009 0.000 0.982 329 E CA 0.602 57.005 56.400 0.004 0.000 0.803 329 E CB 0.311 30.009 29.700 -0.002 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.746 120.947 120.200 0.002 0.000 2.077 330 E HA -0.213 4.138 4.350 0.002 0.000 0.193 330 E C 2.310 178.923 176.600 0.021 0.000 0.989 330 E CA 0.544 56.948 56.400 0.006 0.000 0.800 330 E CB -0.405 29.283 29.700 -0.020 0.000 0.746 330 E HN 0.293 nan 8.360 nan 0.000 0.452 331 L N 0.660 121.898 121.223 0.024 0.000 2.051 331 L HA -0.247 4.094 4.340 0.002 0.000 0.214 331 L C 2.526 179.433 176.870 0.061 0.000 1.076 331 L CA 1.365 56.232 54.840 0.045 0.000 0.758 331 L CB -0.150 41.931 42.059 0.037 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.460 118.167 119.600 0.044 0.000 2.156 332 M HA -0.097 4.385 4.480 0.002 0.000 0.264 332 M C 2.516 178.846 176.300 0.049 0.000 1.067 332 M CA 1.536 56.865 55.300 0.048 0.000 1.131 332 M CB -1.314 31.306 32.600 0.033 0.000 1.368 332 M HN 0.370 nan 8.290 nan 0.000 0.416 333 A N 0.960 123.804 122.820 0.041 0.000 1.892 333 A HA -0.183 4.138 4.320 0.002 0.000 0.218 333 A C 2.381 179.995 177.584 0.050 0.000 1.188 333 A CA 2.645 54.708 52.037 0.043 0.000 0.631 333 A CB -1.333 17.691 19.000 0.040 0.000 0.822 333 A HN 0.496 nan 8.150 nan 0.000 0.447 334 T N -0.252 114.331 114.554 0.048 0.000 2.622 334 T HA -0.180 4.171 4.350 0.002 0.000 0.266 334 T C 1.797 176.525 174.700 0.046 0.000 1.047 334 T CA 1.458 63.584 62.100 0.043 0.000 1.159 334 T CB -0.498 68.383 68.868 0.021 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 0.999 121.447 120.400 0.080 0.000 2.137 335 D HA -0.128 4.513 4.640 0.002 0.000 0.189 335 D C 2.340 178.682 176.300 0.070 0.000 0.998 335 D CA 1.877 55.944 54.000 0.111 0.000 0.839 335 D CB -0.272 40.617 40.800 0.148 0.000 0.962 335 D HN 0.352 nan 8.370 nan 0.000 0.446 336 S N 0.744 116.482 115.700 0.063 0.000 2.387 336 S HA -0.171 4.300 4.470 0.002 0.000 0.230 336 S C 2.236 176.866 174.600 0.050 0.000 1.035 336 S CA 1.435 59.666 58.200 0.053 0.000 1.014 336 S CB -0.475 62.752 63.200 0.046 0.000 0.836 336 S HN 0.480 nan 8.310 nan 0.000 0.466 337 A N 1.733 124.583 122.820 0.049 0.000 1.902 337 A HA -0.035 4.286 4.320 0.002 0.000 0.217 337 A C 2.115 179.738 177.584 0.065 0.000 1.181 337 A CA 1.231 53.300 52.037 0.053 0.000 0.623 337 A CB -0.775 18.257 19.000 0.055 0.000 0.818 337 A HN 0.483 nan 8.150 nan 0.000 0.443 338 I N -0.014 120.579 120.570 0.038 0.000 2.127 338 I HA -0.302 3.869 4.170 0.002 0.000 0.241 338 I C 2.090 178.307 176.117 0.165 0.000 1.075 338 I CA 1.762 63.083 61.300 0.034 0.000 1.334 338 I CB -0.581 37.347 38.000 -0.120 0.000 1.040 338 I HN 0.359 nan 8.210 nan 0.000 0.405 339 D N 1.025 121.482 120.400 0.096 0.000 2.103 339 D HA -0.208 4.433 4.640 0.002 0.000 0.190 339 D C 2.226 178.568 176.300 0.070 0.000 0.997 339 D CA 1.649 55.702 54.000 0.088 0.000 0.833 339 D CB -0.320 40.517 40.800 0.062 0.000 0.961 339 D HN 0.363 nan 8.370 nan 0.000 0.447 340 I N 0.762 121.365 120.570 0.055 0.000 2.335 340 I HA -0.248 3.924 4.170 0.002 0.000 0.251 340 I C 2.224 178.348 176.117 0.012 0.000 1.129 340 I CA 0.618 61.936 61.300 0.029 0.000 1.402 340 I CB -0.164 37.852 38.000 0.028 0.000 1.069 340 I HN -0.041 nan 8.210 nan 0.000 0.424 341 L N 0.552 121.804 121.223 0.050 0.000 2.633 341 L HA -0.015 4.326 4.340 0.002 0.000 0.235 341 L C 1.639 178.429 176.870 -0.133 0.000 1.163 341 L CA 0.879 55.720 54.840 0.001 0.000 0.859 341 L CB -0.603 41.506 42.059 0.083 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.235 107.532 108.800 -0.055 0.000 2.143 342 G HA2 -0.307 3.654 3.960 0.002 0.000 0.249 342 G HA3 -0.307 3.654 3.960 0.002 0.000 0.249 342 G C 0.222 175.043 174.900 -0.132 0.000 0.981 342 G CA -0.473 44.558 45.100 -0.115 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.537 121.421 119.950 -0.111 0.000 2.506 343 F HA 0.520 5.048 4.527 0.002 0.000 0.351 343 F C 1.371 177.141 175.800 -0.050 0.000 1.136 343 F CA 0.747 58.679 58.000 -0.114 0.000 1.298 343 F CB 1.171 40.085 39.000 -0.144 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.762 117.574 115.700 0.187 0.000 2.576 344 S HA 0.356 4.827 4.470 0.002 0.000 0.276 344 S C 1.093 175.773 174.600 0.132 0.000 1.339 344 S CA -0.148 58.128 58.200 0.126 0.000 1.039 344 S CB 0.932 64.200 63.200 0.113 0.000 0.902 344 S HN 0.779 nan 8.310 nan 0.000 0.516 345 A N 3.623 126.499 122.820 0.093 0.000 1.908 345 A HA -0.122 4.199 4.320 0.002 0.000 0.218 345 A C 1.768 179.404 177.584 0.087 0.000 1.181 345 A CA 2.276 54.365 52.037 0.087 0.000 0.627 345 A CB -1.234 17.807 19.000 0.070 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.148 120.300 120.400 0.080 0.000 2.103 346 D HA -0.126 4.515 4.640 0.002 0.000 0.190 346 D C 1.152 177.503 176.300 0.086 0.000 0.997 346 D CA 1.391 55.432 54.000 0.069 0.000 0.833 346 D CB -0.123 40.715 40.800 0.064 0.000 0.961 346 D HN 0.673 nan 8.370 nan 0.000 0.447 350 A N 1.997 124.824 122.820 0.012 0.000 1.883 350 A HA 0.014 4.335 4.320 0.002 0.000 0.217 350 A C 2.099 179.646 177.584 -0.062 0.000 1.186 350 A CA 1.598 53.607 52.037 -0.047 0.000 0.624 350 A CB -0.887 18.058 19.000 -0.091 0.000 0.822 350 A HN 0.537 nan 8.150 nan 0.000 0.444 351 I N -1.580 118.942 120.570 -0.080 0.000 2.118 351 I HA -0.246 3.925 4.170 0.002 0.000 0.241 351 I C 1.411 177.475 176.117 -0.088 0.000 1.070 351 I CA 1.196 62.397 61.300 -0.164 0.000 1.327 351 I CB -0.918 36.880 38.000 -0.337 0.000 1.034 351 I HN 0.310 nan 8.210 nan 0.000 0.405 355 T N -0.648 113.955 114.554 0.081 0.000 3.035 355 T HA 0.057 4.408 4.350 0.002 0.000 0.268 355 T C 1.474 176.317 174.700 0.238 0.000 1.109 355 T CA 1.306 63.505 62.100 0.165 0.000 1.119 355 T CB -0.111 68.825 68.868 0.114 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.643 109.544 108.800 0.167 0.000 2.545 356 G HA2 0.259 4.221 3.960 0.002 0.000 0.212 356 G HA3 0.259 4.221 3.960 0.002 0.000 0.212 356 G C 1.782 176.792 174.900 0.182 0.000 1.144 356 G CA 0.561 45.739 45.100 0.130 0.000 0.813 356 G HN 0.481 nan 8.290 nan 0.000 0.531 357 A N 0.783 123.724 122.820 0.202 0.000 1.892 357 A HA -0.051 4.271 4.320 0.002 0.000 0.218 357 A C 2.567 180.224 177.584 0.122 0.000 1.188 357 A CA 2.040 54.209 52.037 0.221 0.000 0.631 357 A CB -0.858 18.165 19.000 0.037 0.000 0.822 357 A HN 0.267 nan 8.150 nan 0.000 0.447 358 V N 0.189 120.108 119.914 0.008 0.000 2.324 358 V HA -0.367 3.754 4.120 0.002 0.000 0.250 358 V C 2.683 178.905 176.094 0.214 0.000 1.060 358 V CA 2.303 64.634 62.300 0.051 0.000 1.042 358 V CB -0.754 31.195 31.823 0.209 0.000 0.650 358 V HN 0.575 nan 8.190 nan 0.000 0.450 359 M N -0.944 118.739 119.600 0.138 0.000 2.086 359 M HA -0.197 4.284 4.480 0.002 0.000 0.261 359 M C 2.205 178.561 176.300 0.093 0.000 1.067 359 M CA 2.106 57.412 55.300 0.010 0.000 1.116 359 M CB -0.876 31.565 32.600 -0.266 0.000 1.348 359 M HN 0.435 nan 8.290 nan 0.000 0.407 360 H N -1.024 118.199 119.070 0.256 0.000 2.387 360 H HA -0.184 4.373 4.556 0.002 0.000 0.299 360 H C 1.885 177.353 175.328 0.234 0.000 1.099 360 H CA 1.742 57.949 56.048 0.265 0.000 1.315 360 H CB -0.066 29.866 29.762 0.283 0.000 1.380 360 H HN 0.250 nan 8.280 nan 0.000 0.513 361 Y N 0.209 120.611 120.300 0.170 0.000 2.114 361 Y HA -0.170 4.381 4.550 0.002 0.000 0.282 361 Y C 2.765 178.579 175.900 -0.143 0.000 1.165 361 Y CA 1.401 59.569 58.100 0.114 0.000 1.148 361 Y CB -0.950 37.661 38.460 0.253 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.888 107.595 108.800 -0.528 0.000 2.586 362 G HA2 -0.227 3.735 3.960 0.002 0.000 0.215 362 G HA3 -0.227 3.735 3.960 0.002 0.000 0.215 362 G C 1.383 175.995 174.900 -0.479 0.000 1.128 362 G CA 0.915 45.136 45.100 -1.464 0.000 0.774 362 G HN 0.312 nan 8.290 nan 0.000 0.543 363 N N -0.658 117.924 118.700 -0.195 0.000 2.282 363 N HA 0.128 4.870 4.740 0.002 0.000 0.185 363 N C 0.261 175.721 175.510 -0.083 0.000 1.099 363 N CA -0.331 52.653 53.050 -0.109 0.000 0.878 363 N CB 0.227 38.681 38.487 -0.054 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.399 122.593 121.223 -0.048 0.000 2.513 364 L HA 0.036 4.377 4.340 0.002 0.000 0.272 364 L C 0.272 177.094 176.870 -0.079 0.000 1.187 364 L CA 0.718 55.501 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 2.913 123.132 120.400 -0.301 0.000 2.328 365 K HA 0.750 5.072 4.320 0.002 0.000 0.246 365 K C -1.223 175.020 176.600 -0.595 0.000 0.955 365 K CA -0.285 55.909 56.287 -0.154 0.000 0.817 365 K CB 1.366 33.793 32.500 -0.121 0.000 1.208 365 K HN 0.219 nan 8.250 nan 0.000 0.432 371 R N -0.582 119.926 120.500 0.014 0.000 3.977 371 R HA -0.199 4.142 4.340 0.002 0.000 0.428 371 R C -0.325 175.984 176.300 0.014 0.000 1.079 371 R CA 1.447 57.555 56.100 0.013 0.000 1.269 371 R CB -0.903 29.404 30.300 0.011 0.000 1.856 371 R HN 0.574 nan 8.270 nan 0.000 0.551 372 E N 0.209 120.420 120.200 0.017 0.000 2.336 372 E HA 0.237 4.589 4.350 0.002 0.000 0.267 372 E C -0.452 176.156 176.600 0.013 0.000 0.906 372 E CA -0.544 55.868 56.400 0.020 0.000 0.781 372 E CB 1.723 31.443 29.700 0.034 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 0.009 0.000 2.451 373 E HA 0.015 4.366 4.350 0.002 0.000 0.194 373 E C -0.241 176.348 176.600 -0.019 0.000 1.027 373 E CA -0.064 56.334 56.400 -0.004 0.000 0.914 373 E CB 0.649 30.346 29.700 -0.005 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.163 119.958 119.800 -0.009 0.000 2.221 374 Q HA 0.481 4.822 4.340 0.002 0.000 0.242 374 Q C -0.952 175.009 176.000 -0.065 0.000 0.940 374 Q CA -0.400 55.381 55.803 -0.037 0.000 0.896 374 Q CB 1.343 30.093 28.738 0.019 0.000 1.226 374 Q HN 0.131 nan 8.270 nan 0.000 0.463 375 A N 2.614 125.342 122.820 -0.153 0.000 2.301 375 A HA 0.511 4.833 4.320 0.002 0.000 0.298 375 A C -0.995 176.519 177.584 -0.116 0.000 1.185 375 A CA -0.339 51.602 52.037 -0.160 0.000 0.830 375 A CB 0.326 19.135 19.000 -0.319 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.797 123.016 120.200 0.031 0.000 2.272 376 E HA 0.626 4.977 4.350 0.002 0.000 0.269 376 E C -2.997 173.725 176.600 0.202 0.000 0.877 376 E CA -2.217 54.242 56.400 0.098 0.000 0.755 376 E CB 1.752 31.503 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 63.234 63.100 0.027 0.000 0.763 377 P CB 0.509 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 4.949 4.640 0.002 0.000 0.229 378 D C 0.444 176.657 176.300 -0.145 0.000 1.170 378 D CA 0.096 54.013 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 -0.703 108.010 108.800 -0.145 0.000 2.316 379 G HA2 0.095 4.057 3.960 0.002 0.000 0.468 379 G HA3 0.095 4.057 3.960 0.002 0.000 0.468 379 G C -0.302 174.523 174.900 -0.124 0.000 1.523 379 G CA -0.313 44.718 45.100 -0.114 0.000 0.972 379 G HN 0.103 nan 8.290 nan 0.000 0.667 380 T N -1.732 112.772 114.554 -0.083 0.000 3.444 380 T HA 0.606 4.957 4.350 0.002 0.000 0.265 380 T C 0.488 175.150 174.700 -0.063 0.000 1.537 380 T CA 0.048 62.106 62.100 -0.070 0.000 1.530 380 T CB 1.350 70.192 68.868 -0.043 0.000 0.958 380 T HN 0.535 nan 8.240 nan 0.000 0.684 381 E N 0.631 120.786 120.200 -0.074 0.000 2.207 381 E HA 0.066 4.417 4.350 0.002 0.000 0.197 381 E C 1.556 178.113 176.600 -0.072 0.000 0.914 381 E CA 0.462 56.823 56.400 -0.064 0.000 0.914 381 E CB 0.530 30.193 29.700 -0.062 0.000 0.893 381 E HN 0.392 nan 8.360 nan 0.000 0.479 382 V N 1.243 121.110 119.914 -0.080 0.000 2.599 382 V HA -0.021 4.100 4.120 0.002 0.000 0.245 382 V C 2.347 178.393 176.094 -0.080 0.000 1.046 382 V CA 1.354 63.606 62.300 -0.081 0.000 1.065 382 V CB -0.220 31.584 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.300 122.475 122.820 -0.074 0.000 1.933 383 A HA -0.146 4.175 4.320 0.002 0.000 0.218 383 A C 1.256 178.835 177.584 -0.008 0.000 1.175 383 A CA 1.274 53.284 52.037 -0.045 0.000 0.628 383 A CB -0.494 18.471 19.000 -0.059 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.506 122.412 122.820 0.164 0.000 1.883 387 A HA -0.017 4.304 4.320 0.002 0.000 0.217 387 A C 2.002 179.680 177.584 0.157 0.000 1.186 387 A CA 2.151 54.281 52.037 0.155 0.000 0.624 387 A CB -0.912 18.159 19.000 0.118 0.000 0.822 387 A HN 1.364 nan 8.150 nan 0.000 0.444 388 Y N -0.240 120.084 120.300 0.039 0.000 2.200 388 Y HA -0.088 4.464 4.550 0.002 0.000 0.290 388 Y C 1.828 177.751 175.900 0.039 0.000 1.137 388 Y CA 1.452 59.570 58.100 0.030 0.000 1.163 388 Y CB -0.326 38.142 38.460 0.013 0.000 0.988 388 Y HN 0.162 nan 8.280 nan 0.000 0.518 389 L N 0.219 121.391 121.223 -0.085 0.000 2.191 389 L HA -0.167 4.174 4.340 0.002 0.000 0.212 389 L C 2.029 178.819 176.870 -0.133 0.000 1.103 389 L CA 1.703 56.448 54.840 -0.159 0.000 0.769 389 L CB -0.774 41.328 42.059 0.071 0.000 0.908 389 L HN 0.406 nan 8.230 nan 0.000 0.438 390 M N -2.023 117.544 119.600 -0.055 0.000 2.441 390 M HA 0.253 4.734 4.480 0.002 0.000 0.244 390 M C 1.048 177.310 176.300 -0.063 0.000 1.122 390 M CA 0.584 55.846 55.300 -0.063 0.000 1.041 390 M CB 0.335 32.927 32.600 -0.014 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.970 110.727 108.800 -0.071 0.000 2.248 391 G HA2 -0.189 3.772 3.960 0.002 0.000 0.263 391 G HA3 -0.189 3.772 3.960 0.002 0.000 0.263 391 G C -0.657 174.257 174.900 0.024 0.000 1.082 391 G CA -0.277 44.798 45.100 -0.042 0.000 0.863 391 G HN 0.265 nan 8.290 nan 0.000 0.495 392 L N -0.357 120.902 121.223 0.060 0.000 2.260 392 L HA 0.748 5.089 4.340 0.002 0.000 0.265 392 L C 0.186 177.108 176.870 0.087 0.000 1.015 392 L CA -1.581 53.313 54.840 0.088 0.000 0.826 392 L CB 1.552 43.690 42.059 0.131 0.000 1.373 392 L HN 0.235 nan 8.230 nan 0.000 0.450 393 N N -0.723 118.023 118.700 0.076 0.000 2.443 393 N HA 0.177 4.918 4.740 0.002 0.000 0.269 393 N C 0.381 175.927 175.510 0.060 0.000 0.985 393 N CA 0.023 53.111 53.050 0.064 0.000 0.921 393 N CB 1.708 40.223 38.487 0.048 0.000 1.195 393 N HN 0.514 nan 8.380 nan 0.000 0.492 394 S N 2.619 118.353 115.700 0.057 0.000 2.378 394 S HA -0.261 4.211 4.470 0.002 0.000 0.229 394 S C 1.742 176.365 174.600 0.038 0.000 1.052 394 S CA 2.216 60.443 58.200 0.043 0.000 1.084 394 S CB -0.151 63.065 63.200 0.026 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.032 123.873 122.820 0.035 0.000 1.832 395 A HA -0.127 4.195 4.320 0.002 0.000 0.214 395 A C 1.958 179.567 177.584 0.042 0.000 1.200 395 A CA 1.592 53.651 52.037 0.037 0.000 0.610 395 A CB -0.875 18.143 19.000 0.031 0.000 0.842 395 A HN 0.571 nan 8.150 nan 0.000 0.444 396 E N -0.797 119.425 120.200 0.036 0.000 2.147 396 E HA -0.260 4.091 4.350 0.002 0.000 0.199 396 E C 1.936 178.552 176.600 0.027 0.000 1.005 396 E CA 1.490 57.908 56.400 0.029 0.000 0.810 396 E CB -0.327 29.388 29.700 0.024 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.508 121.751 121.223 0.034 0.000 2.005 397 L HA -0.166 4.175 4.340 0.002 0.000 0.207 397 L C 2.063 178.951 176.870 0.031 0.000 1.072 397 L CA 1.493 56.352 54.840 0.031 0.000 0.744 397 L CB -0.343 41.749 42.059 0.056 0.000 0.895 397 L HN 0.058 nan 8.230 nan 0.000 0.433 398 L N -0.224 121.032 121.223 0.054 0.000 2.275 398 L HA -0.121 4.220 4.340 0.002 0.000 0.215 398 L C 2.457 179.377 176.870 0.083 0.000 1.119 398 L CA 1.380 56.275 54.840 0.091 0.000 0.790 398 L CB -1.090 41.026 42.059 0.096 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.616 119.834 120.400 0.082 0.000 1.980 399 K HA -0.053 4.268 4.320 0.002 0.000 0.208 399 K C 2.102 178.749 176.600 0.078 0.000 1.043 399 K CA 1.186 57.553 56.287 0.134 0.000 0.938 399 K CB -0.227 32.343 32.500 0.117 0.000 0.724 399 K HN 0.239 nan 8.250 nan 0.000 0.438 400 A N 1.679 124.517 122.820 0.029 0.000 1.940 400 A HA -0.234 4.087 4.320 0.002 0.000 0.221 400 A C 2.112 179.655 177.584 -0.069 0.000 1.190 400 A CA 1.658 53.682 52.037 -0.022 0.000 0.647 400 A CB -0.728 18.239 19.000 -0.056 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.003 120.170 121.223 -0.082 0.000 2.017 401 L HA -0.151 4.191 4.340 0.002 0.000 0.208 401 L C 2.670 179.384 176.870 -0.260 0.000 1.073 401 L CA 1.925 56.675 54.840 -0.151 0.000 0.745 401 L CB -0.877 41.119 42.059 -0.105 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.209 116.922 119.300 -0.282 0.000 2.505 402 C HA -0.026 4.435 4.460 0.002 0.000 0.279 402 C C 0.865 175.404 174.990 -0.752 0.000 1.316 402 C CA -0.131 58.560 59.018 -0.546 0.000 1.720 402 C CB -0.623 26.782 27.740 -0.560 0.000 2.050 402 C HN 0.406 nan 8.230 nan 0.000 0.493 403 Y N 0.888 121.148 120.300 -0.066 0.000 2.553 403 Y HA 0.307 4.858 4.550 0.002 0.000 0.369 403 Y C -2.319 173.548 175.900 -0.055 0.000 0.964 403 Y CA -3.201 54.867 58.100 -0.053 0.000 1.156 403 Y CB -0.599 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 0.016 0.000 1.173 404 P CA 0.323 63.413 63.100 -0.018 0.000 0.768 404 P CB 0.378 32.047 31.700 -0.052 0.000 0.758 405 R N 3.617 124.123 120.500 0.010 0.000 2.230 405 R HA 0.401 4.742 4.340 0.002 0.000 0.337 405 R C -0.639 175.659 176.300 -0.002 0.000 1.063 405 R CA -0.684 55.422 56.100 0.010 0.000 0.935 405 R CB 0.091 30.397 30.300 0.011 0.000 1.121 405 R HN 0.101 nan 8.270 nan 0.000 0.486 406 V N 2.322 122.236 119.914 0.001 0.000 3.596 406 V HA 0.503 4.624 4.120 0.002 0.000 0.288 406 V C 1.063 177.158 176.094 0.002 0.000 1.021 406 V CA -0.172 62.128 62.300 0.000 0.000 1.020 406 V CB 1.563 33.387 31.823 0.002 0.000 1.243 406 V HN 0.947 nan 8.190 nan 0.000 0.433 407 G N 0.069 108.870 108.800 0.003 0.000 4.566 407 G HA2 0.445 4.406 3.960 0.002 0.000 0.276 407 G HA3 0.445 4.406 3.960 0.002 0.000 0.276 407 G C -0.971 173.930 174.900 0.001 0.000 1.248 407 G CA -0.113 44.988 45.100 0.002 0.000 0.858 407 G HN 0.400 nan 8.290 nan 0.000 0.549 408 V N 1.666 121.580 119.914 -0.000 0.000 2.389 408 V HA 0.689 4.810 4.120 0.002 0.000 0.264 408 V C 1.219 177.311 176.094 -0.004 0.000 1.049 408 V CA 1.573 63.872 62.300 -0.002 0.000 0.932 408 V CB 0.181 32.004 31.823 -0.001 0.000 1.011 408 V HN 1.197 nan 8.190 nan 0.000 0.475 409 G N 5.439 114.235 108.800 -0.006 0.000 2.846 409 G HA2 -0.199 3.762 3.960 0.002 0.000 0.225 409 G HA3 -0.199 3.762 3.960 0.002 0.000 0.225 409 G C 0.278 175.174 174.900 -0.007 0.000 1.285 409 G CA 0.144 45.239 45.100 -0.007 0.000 1.055 409 G HN 0.819 nan 8.290 nan 0.000 0.579 410 N N 2.014 120.711 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.937 4.740 0.002 0.000 0.222 410 N C 0.581 176.089 175.510 -0.003 0.000 1.218 410 N CA 1.017 54.065 53.050 -0.005 0.000 0.889 410 N CB 0.755 39.239 38.487 -0.005 0.000 1.083 410 N HN 0.966 nan 8.380 nan 0.000 0.520 411 E N 0.347 120.545 120.200 -0.003 0.000 2.573 411 E HA 0.736 5.087 4.350 0.002 0.000 0.218 411 E C -1.118 175.481 176.600 -0.002 0.000 0.777 411 E CA -1.308 55.090 56.400 -0.003 0.000 0.970 411 E CB 1.168 30.866 29.700 -0.003 0.000 1.666 411 E HN -0.045 nan 8.360 nan 0.000 0.384 412 A N 0.935 123.754 122.820 -0.002 0.000 2.466 412 A HA 0.458 4.779 4.320 0.002 0.000 0.291 412 A C -0.892 176.691 177.584 -0.001 0.000 1.234 412 A CA -0.699 51.337 52.037 -0.001 0.000 0.752 412 A CB 0.680 19.679 19.000 -0.002 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.055 122.969 119.914 0.000 0.000 2.385 413 V HA 0.287 4.408 4.120 0.002 0.000 0.269 413 V C 0.967 177.065 176.094 0.008 0.000 1.043 413 V CA -0.097 62.204 62.300 0.002 0.000 0.906 413 V CB 0.721 32.546 31.823 0.003 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.090 120.184 120.200 -0.177 0.000 2.281 417 E HA 0.668 5.019 4.350 0.002 0.000 0.262 417 E C -0.198 176.285 176.600 -0.196 0.000 0.933 417 E CA -0.732 55.559 56.400 -0.181 0.000 0.809 417 E CB 2.174 31.741 29.700 -0.222 0.000 1.242 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 T N 0.238 114.696 114.554 -0.161 0.000 2.881 418 T HA 0.095 4.446 4.350 0.002 0.000 0.278 418 T C 1.593 176.166 174.700 -0.212 0.000 0.982 418 T CA -0.704 61.309 62.100 -0.145 0.000 0.989 418 T CB 1.252 70.066 68.868 -0.090 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 -0.185 0.000 2.255 419 V HA -0.180 3.941 4.120 0.002 0.000 0.247 419 V C 2.682 178.612 176.094 -0.274 0.000 1.051 419 V CA 2.048 64.192 62.300 -0.259 0.000 1.018 419 V CB -1.026 30.712 31.823 -0.141 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.470 115.161 115.700 -0.115 0.000 2.419 420 S HA -0.227 4.244 4.470 0.002 0.000 0.235 420 S C 1.856 176.426 174.600 -0.050 0.000 1.019 420 S CA 1.611 59.794 58.200 -0.028 0.000 0.982 420 S CB -0.348 62.857 63.200 0.008 0.000 0.789 420 S HN 0.730 nan 8.310 nan 0.000 0.490 421 E N 0.429 120.562 120.200 -0.112 0.000 2.158 421 E HA -0.047 4.304 4.350 0.002 0.000 0.191 421 E C 2.022 178.528 176.600 -0.156 0.000 0.982 421 E CA 0.861 57.195 56.400 -0.109 0.000 0.823 421 E CB -0.128 29.501 29.700 -0.119 0.000 0.766 421 E HN 0.353 nan 8.360 nan 0.000 0.468 422 V N 1.369 121.107 119.914 -0.293 0.000 2.255 422 V HA -0.212 3.909 4.120 0.002 0.000 0.243 422 V C 2.121 178.094 176.094 -0.202 0.000 1.038 422 V CA 1.668 63.713 62.300 -0.424 0.000 1.008 422 V CB -0.758 30.503 31.823 -0.936 0.000 0.645 422 V HN 0.252 nan 8.190 nan 0.000 0.449 423 H N 0.961 119.962 119.070 -0.114 0.000 2.394 423 H HA -0.173 4.384 4.556 0.002 0.000 0.297 423 H C 2.269 177.651 175.328 0.090 0.000 1.113 423 H CA 2.014 58.099 56.048 0.062 0.000 1.277 423 H CB -0.650 29.176 29.762 0.107 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.196 118.597 118.700 0.154 0.000 2.216 424 N HA -0.115 4.627 4.740 0.002 0.000 0.183 424 N C 2.125 177.689 175.510 0.090 0.000 1.017 424 N CA 1.115 54.233 53.050 0.112 0.000 0.861 424 N CB 0.062 38.589 38.487 0.066 0.000 0.986 424 N HN 0.307 nan 8.380 nan 0.000 0.428 425 S N 0.615 116.338 115.700 0.038 0.000 2.383 425 S HA -0.062 4.409 4.470 0.002 0.000 0.227 425 S C 2.117 176.779 174.600 0.104 0.000 1.026 425 S CA 0.639 58.860 58.200 0.035 0.000 0.981 425 S CB -0.703 62.479 63.200 -0.031 0.000 0.818 425 S HN 0.016 nan 8.310 nan 0.000 0.472 426 V N 2.731 122.726 119.914 0.135 0.000 2.233 426 V HA -0.125 3.996 4.120 0.002 0.000 0.247 426 V C 2.994 179.316 176.094 0.378 0.000 1.050 426 V CA 2.080 64.531 62.300 0.251 0.000 1.010 426 V CB -1.784 30.204 31.823 0.276 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.605 108.399 108.800 0.340 0.000 2.469 427 G HA2 -0.264 3.697 3.960 0.002 0.000 0.220 427 G HA3 -0.264 3.697 3.960 0.002 0.000 0.220 427 G C 1.715 176.718 174.900 0.172 0.000 1.136 427 G CA 1.215 46.470 45.100 0.258 0.000 0.759 427 G HN 0.660 nan 8.290 nan 0.000 0.562 428 A N 0.298 123.215 122.820 0.161 0.000 1.930 428 A HA 0.167 4.488 4.320 0.002 0.000 0.217 428 A C 2.420 180.118 177.584 0.191 0.000 1.175 428 A CA 1.247 53.367 52.037 0.138 0.000 0.627 428 A CB -0.277 18.785 19.000 0.104 0.000 0.815 428 A HN 0.366 nan 8.150 nan 0.000 0.443 429 L N -0.436 120.939 121.223 0.254 0.000 2.044 429 L HA 0.048 4.389 4.340 0.002 0.000 0.205 429 L C 2.048 179.118 176.870 0.333 0.000 1.075 429 L CA 0.382 55.422 54.840 0.333 0.000 0.747 429 L CB -0.934 41.373 42.059 0.414 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.179 120.277 119.914 0.307 0.000 2.287 433 V HA -0.290 3.831 4.120 0.002 0.000 0.248 433 V C 2.220 178.349 176.094 0.059 0.000 1.053 433 V CA 2.666 65.078 62.300 0.188 0.000 1.027 433 V CB -1.094 30.819 31.823 0.150 0.000 0.646 433 V HN 0.625 nan 8.190 nan 0.000 0.447 434 Y N 1.243 121.545 120.300 0.003 0.000 2.081 434 Y HA -0.205 4.346 4.550 0.002 0.000 0.280 434 Y C 1.830 177.701 175.900 -0.048 0.000 1.163 434 Y CA 1.878 59.967 58.100 -0.018 0.000 1.135 434 Y CB -0.280 38.185 38.460 0.009 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.295 121.989 119.950 -0.427 0.000 2.161 438 F HA -0.164 4.364 4.527 0.002 0.000 0.300 438 F C 1.363 176.985 175.800 -0.297 0.000 1.089 438 F CA 2.055 59.774 58.000 -0.467 0.000 1.282 438 F CB -0.057 38.673 39.000 -0.449 0.000 1.010 438 F HN 0.251 nan 8.300 nan 0.000 0.485 439 L N -0.775 120.424 121.223 -0.040 0.000 2.017 439 L HA -0.194 4.148 4.340 0.002 0.000 0.208 439 L C 2.076 178.871 176.870 -0.127 0.000 1.073 439 L CA 1.762 56.546 54.840 -0.094 0.000 0.745 439 L CB -1.943 40.114 42.059 -0.003 0.000 0.894 439 L HN 0.503 nan 8.230 nan 0.000 0.432 440 W N 0.194 121.343 121.300 -0.252 0.000 2.333 440 W HA -0.266 4.395 4.660 0.002 0.000 0.316 440 W C 2.676 179.070 176.519 -0.208 0.000 1.215 440 W CA 1.793 59.012 57.345 -0.210 0.000 1.278 440 W CB -0.418 28.924 29.460 -0.198 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.228 119.159 119.600 -0.356 0.000 2.089 441 M HA -0.302 4.179 4.480 0.002 0.000 0.257 441 M C 1.874 177.908 176.300 -0.444 0.000 1.071 441 M CA 2.343 57.336 55.300 -0.512 0.000 1.096 441 M CB -0.869 31.366 32.600 -0.608 0.000 1.330 441 M HN -0.065 nan 8.290 nan 0.000 0.403 442 V N 0.463 120.067 119.914 -0.516 0.000 2.255 442 V HA -0.311 3.810 4.120 0.002 0.000 0.247 442 V C 2.125 178.016 176.094 -0.338 0.000 1.051 442 V CA 2.049 64.090 62.300 -0.432 0.000 1.018 442 V CB -0.555 30.997 31.823 -0.452 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.690 119.691 120.570 -0.315 0.000 2.118 443 I HA -0.262 3.909 4.170 0.002 0.000 0.241 443 I C 2.787 178.689 176.117 -0.359 0.000 1.070 443 I CA 1.580 62.718 61.300 -0.270 0.000 1.327 443 I CB -0.432 37.451 38.000 -0.195 0.000 1.034 443 I HN 0.186 nan 8.210 nan 0.000 0.405 444 R N 0.387 120.562 120.500 -0.542 0.000 2.105 444 R HA -0.133 4.208 4.340 0.002 0.000 0.239 444 R C 2.201 178.121 176.300 -0.633 0.000 1.135 444 R CA 1.476 57.158 56.100 -0.696 0.000 0.967 444 R CB -0.715 28.909 30.300 -1.128 0.000 0.861 444 R HN 0.444 nan 8.270 nan 0.000 0.442 445 I N 1.224 121.499 120.570 -0.492 0.000 2.113 445 I HA -0.318 3.854 4.170 0.002 0.000 0.238 445 I C 1.956 177.901 176.117 -0.287 0.000 1.070 445 I CA 1.228 62.316 61.300 -0.354 0.000 1.332 445 I CB -0.549 37.313 38.000 -0.229 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.099 119.649 118.700 -0.250 0.000 2.133 446 N HA -0.277 4.464 4.740 0.002 0.000 0.193 446 N C 1.839 177.224 175.510 -0.208 0.000 1.012 446 N CA 1.867 54.795 53.050 -0.203 0.000 0.871 446 N CB -0.465 37.910 38.487 -0.186 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.087 119.738 119.800 -0.248 0.000 2.124 447 Q HA -0.169 4.173 4.340 0.002 0.000 0.202 447 Q C 1.663 177.533 176.000 -0.217 0.000 0.977 447 Q CA 1.331 56.997 55.803 -0.229 0.000 0.850 447 Q CB -0.293 28.320 28.738 -0.208 0.000 0.901 447 Q HN 0.201 nan 8.270 nan 0.000 0.429 448 Q N 0.351 119.999 119.800 -0.252 0.000 2.137 448 Q HA 0.037 4.378 4.340 0.002 0.000 0.198 448 Q C 1.428 177.330 176.000 -0.163 0.000 0.960 448 Q CA 0.713 56.389 55.803 -0.212 0.000 0.847 448 Q CB 0.108 28.702 28.738 -0.240 0.000 0.915 448 Q HN 0.298 nan 8.270 nan 0.000 0.448 449 L N 1.195 122.319 121.223 -0.165 0.000 2.749 449 L HA 0.021 4.363 4.340 0.002 0.000 0.245 449 L C -0.310 176.477 176.870 -0.138 0.000 1.156 449 L CA 0.842 55.600 54.840 -0.136 0.000 0.890 449 L CB -0.770 41.212 42.059 -0.129 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.596 119.717 120.400 -0.144 0.000 2.280 450 D HA 0.384 5.026 4.640 0.002 0.000 0.236 450 D C 0.184 176.411 176.300 -0.123 0.000 1.082 450 D CA -0.022 53.891 54.000 -0.144 0.000 0.834 450 D CB 1.146 41.860 40.800 -0.144 0.000 1.100 450 D HN 0.156 nan 8.370 nan 0.000 0.486 451 T N -0.040 114.442 114.554 -0.120 0.000 2.940 451 T HA 0.442 4.793 4.350 0.002 0.000 0.288 451 T C 1.033 175.677 174.700 -0.093 0.000 1.045 451 T CA -0.764 61.278 62.100 -0.095 0.000 1.018 451 T CB 1.953 70.773 68.868 -0.079 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.091 120.265 120.400 -0.073 0.000 2.211 452 K HA 0.065 4.386 4.320 0.002 0.000 0.201 452 K C 0.751 177.315 176.600 -0.059 0.000 1.052 452 K CA 0.306 56.555 56.287 -0.065 0.000 0.973 452 K CB 0.021 32.490 32.500 -0.051 0.000 0.766 452 K HN 0.656 nan 8.250 nan 0.000 0.466 453 Q N 2.183 121.952 119.800 -0.051 0.000 2.352 453 Q HA -0.025 4.316 4.340 0.002 0.000 0.326 453 Q C -2.332 173.639 176.000 -0.049 0.000 1.135 453 Q CA -1.108 54.670 55.803 -0.041 0.000 1.000 453 Q CB -0.640 28.081 28.738 -0.029 0.000 1.237 453 Q HN 0.019 nan 8.270 nan 0.000 0.409 454 P HA 0.089 nan 4.420 nan 0.000 0.272 454 P C -0.958 176.314 177.300 -0.046 0.000 1.223 454 P CA -0.012 63.061 63.100 -0.045 0.000 0.784 454 P CB 0.620 32.296 31.700 -0.039 0.000 0.923 455 R N 1.298 121.767 120.500 -0.052 0.000 2.561 455 R HA 0.377 4.718 4.340 0.002 0.000 0.297 455 R C 0.657 176.909 176.300 -0.079 0.000 0.969 455 R CA -0.611 55.473 56.100 -0.026 0.000 0.879 455 R CB 1.941 32.249 30.300 0.013 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.033 120.688 119.800 -0.242 0.000 2.431 456 Q HA 0.181 4.522 4.340 0.002 0.000 0.244 456 Q C -0.564 175.105 176.000 -0.552 0.000 0.880 456 Q CA 0.737 56.214 55.803 -0.543 0.000 0.954 456 Q CB 0.888 29.047 28.738 -0.965 0.000 1.105 456 Q HN 0.551 nan 8.270 nan 0.000 0.558 457 Y N -1.008 119.405 120.300 0.188 0.000 2.670 457 Y HA 0.507 5.058 4.550 0.002 0.000 0.334 457 Y C -0.663 175.372 175.900 0.225 0.000 1.185 457 Y CA -1.999 56.190 58.100 0.150 0.000 1.053 457 Y CB 0.773 39.250 38.460 0.029 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.825 119.238 119.950 0.188 0.000 2.650 458 F HA 0.911 5.439 4.527 0.002 0.000 0.320 458 F C -1.898 173.921 175.800 0.030 0.000 1.091 458 F CA -1.850 56.116 58.000 -0.056 0.000 0.962 458 F CB 1.644 40.253 39.000 -0.652 0.000 1.363 458 F HN 0.353 nan 8.300 nan 0.000 0.482 459 I N 1.820 122.488 120.570 0.163 0.000 2.439 459 I HA 0.494 4.665 4.170 0.002 0.000 0.283 459 I C 0.010 176.186 176.117 0.100 0.000 1.023 459 I CA -0.734 60.583 61.300 0.027 0.000 1.100 459 I CB 1.679 39.637 38.000 -0.070 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.790 114.700 108.800 0.183 0.000 2.353 460 G HA2 0.519 4.480 3.960 0.002 0.000 0.284 460 G HA3 0.519 4.480 3.960 0.002 0.000 0.284 460 G C -0.658 174.325 174.900 0.137 0.000 1.172 460 G CA -0.225 44.927 45.100 0.088 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.942 123.871 119.914 0.025 0.000 2.326 461 V HA 0.320 4.441 4.120 0.002 0.000 0.281 461 V C -0.171 176.102 176.094 0.297 0.000 1.015 461 V CA -0.688 61.711 62.300 0.165 0.000 0.823 461 V CB 1.035 32.942 31.823 0.141 0.000 1.009 461 V HN 0.705 nan 8.190 nan 0.000 0.436 462 L N 4.509 125.979 121.223 0.412 0.000 2.282 462 L HA 0.765 5.106 4.340 0.002 0.000 0.288 462 L C -0.631 176.397 176.870 0.263 0.000 1.033 462 L CA 0.343 55.456 54.840 0.456 0.000 0.807 462 L CB 1.461 43.727 42.059 0.345 0.000 1.209 462 L HN 0.644 nan 8.230 nan 0.000 0.423 463 D N 6.364 126.915 120.400 0.252 0.000 2.549 463 D HA 0.564 5.206 4.640 0.002 0.000 0.251 463 D C -0.998 175.397 176.300 0.159 0.000 1.153 463 D CA -0.098 54.002 54.000 0.167 0.000 0.861 463 D CB 1.057 41.938 40.800 0.134 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.935 121.575 120.570 0.117 0.000 3.181 464 I HA 0.517 4.688 4.170 0.002 0.000 0.311 464 I C -0.221 175.944 176.117 0.079 0.000 1.287 464 I CA -1.330 60.032 61.300 0.104 0.000 0.958 464 I CB 1.906 39.957 38.000 0.086 0.000 1.294 464 I HN 0.427 nan 8.210 nan 0.000 0.467 465 A N 1.022 123.888 122.820 0.077 0.000 2.304 465 A HA 0.783 5.105 4.320 0.002 0.000 0.271 465 A C 0.081 177.713 177.584 0.079 0.000 1.091 465 A CA -0.010 52.069 52.037 0.071 0.000 0.812 465 A CB 0.584 19.626 19.000 0.070 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.007 107.839 108.800 0.077 0.000 2.441 466 G HA2 0.487 4.448 3.960 0.002 0.000 0.334 466 G HA3 0.487 4.448 3.960 0.002 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 0.623 nan 8.290 nan 0.000 0.488 467 F N 0.967 120.898 119.950 -0.033 0.000 2.473 467 F HA 0.045 4.573 4.527 0.002 0.000 0.405 467 F C 0.792 176.482 175.800 -0.183 0.000 0.988 467 F CA 0.738 58.666 58.000 -0.120 0.000 1.096 467 F CB 0.187 39.099 39.000 -0.146 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.319 126.343 120.200 -0.292 0.000 2.222 468 E HA 0.468 4.819 4.350 0.002 0.000 0.267 468 E C -0.888 175.188 176.600 -0.873 0.000 0.884 468 E CA -0.941 55.157 56.400 -0.504 0.000 0.764 468 E CB 2.085 31.467 29.700 -0.529 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.402 123.506 120.570 -0.777 0.000 2.378 469 I HA 0.382 4.553 4.170 0.002 0.000 0.291 469 I C -0.916 174.780 176.117 -0.701 0.000 0.992 469 I CA -0.527 60.389 61.300 -0.640 0.000 1.154 469 I CB 0.681 38.552 38.000 -0.216 0.000 1.315 469 I HN 0.343 nan 8.210 nan 0.000 0.448 470 F N 2.743 122.632 119.950 -0.102 0.000 2.593 470 F HA 0.328 4.857 4.527 0.002 0.000 0.320 470 F C 1.340 177.121 175.800 -0.033 0.000 1.060 470 F CA -1.019 56.957 58.000 -0.041 0.000 0.940 470 F CB 0.828 39.834 39.000 0.009 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.235 120.779 120.400 0.241 0.000 2.218 471 D HA -0.194 4.448 4.640 0.002 0.000 0.204 471 D C 0.141 176.560 176.300 0.198 0.000 0.976 471 D CA 1.408 55.499 54.000 0.151 0.000 0.853 471 D CB -0.012 40.868 40.800 0.134 0.000 0.939 471 D HN 0.218 nan 8.370 nan 0.000 0.481 472 F N 2.112 122.125 119.950 0.105 0.000 2.382 472 F HA 0.309 4.837 4.527 0.002 0.000 0.361 472 F C -0.732 175.149 175.800 0.137 0.000 1.109 472 F CA -1.072 56.980 58.000 0.087 0.000 1.031 472 F CB 0.720 39.752 39.000 0.053 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.752 123.229 118.700 -0.372 0.000 2.446 473 N HA 0.228 4.969 4.740 0.002 0.000 0.265 473 N C -0.812 174.598 175.510 -0.168 0.000 0.975 473 N CA -0.249 52.678 53.050 -0.204 0.000 0.928 473 N CB 2.042 40.305 38.487 -0.373 0.000 1.160 473 N HN 0.469 nan 8.380 nan 0.000 0.495 474 S N 0.688 116.406 115.700 0.029 0.000 2.776 474 S HA 0.352 4.823 4.470 0.002 0.000 0.306 474 S C 1.077 175.801 174.600 0.208 0.000 1.114 474 S CA -0.593 57.781 58.200 0.289 0.000 0.973 474 S CB 0.533 63.930 63.200 0.327 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.306 121.945 119.950 -0.518 0.000 2.085 475 F HA -0.213 4.315 4.527 0.002 0.000 0.299 475 F C 1.858 177.372 175.800 -0.476 0.000 1.096 475 F CA 2.778 60.047 58.000 -1.217 0.000 1.227 475 F CB -0.792 37.334 39.000 -1.456 0.000 0.983 475 F HN 0.678 nan 8.300 nan 0.000 0.482 476 E N 0.022 120.008 120.200 -0.357 0.000 2.160 476 E HA -0.254 4.098 4.350 0.002 0.000 0.195 476 E C 2.012 178.475 176.600 -0.228 0.000 0.991 476 E CA 1.638 57.815 56.400 -0.372 0.000 0.810 476 E CB -0.514 29.103 29.700 -0.138 0.000 0.742 476 E HN 0.514 nan 8.360 nan 0.000 0.466 477 Q N 0.046 119.818 119.800 -0.047 0.000 2.079 477 Q HA -0.069 4.272 4.340 0.002 0.000 0.200 477 Q C 2.077 178.123 176.000 0.078 0.000 0.974 477 Q CA 0.831 56.667 55.803 0.055 0.000 0.840 477 Q CB -0.299 28.529 28.738 0.150 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.007 121.291 121.223 0.102 0.000 1.989 478 L HA -0.229 4.112 4.340 0.002 0.000 0.211 478 L C 1.926 178.851 176.870 0.093 0.000 1.071 478 L CA 1.893 56.732 54.840 -0.001 0.000 0.749 478 L CB -0.874 41.049 42.059 -0.227 0.000 0.890 478 L HN 0.343 nan 8.230 nan 0.000 0.431 479 C N -0.568 118.673 119.300 -0.098 0.000 2.398 479 C HA -0.170 4.291 4.460 0.002 0.000 0.276 479 C C 2.678 177.770 174.990 0.170 0.000 1.222 479 C CA 0.980 59.974 59.018 -0.040 0.000 1.746 479 C CB -1.217 25.968 27.740 -0.925 0.000 2.039 479 C HN 0.642 nan 8.230 nan 0.000 0.470 480 I N 1.427 122.002 120.570 0.008 0.000 2.233 480 I HA -0.150 4.021 4.170 0.002 0.000 0.243 480 I C 2.289 178.470 176.117 0.107 0.000 1.093 480 I CA 1.546 62.885 61.300 0.065 0.000 1.380 480 I CB -0.460 37.540 38.000 0.000 0.000 1.067 480 I HN 0.400 nan 8.210 nan 0.000 0.413 481 N N -0.152 118.555 118.700 0.012 0.000 2.104 481 N HA -0.268 4.473 4.740 0.002 0.000 0.190 481 N C 1.944 177.649 175.510 0.325 0.000 1.024 481 N CA 1.346 54.351 53.050 -0.074 0.000 0.853 481 N CB -0.330 37.871 38.487 -0.476 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.503 122.601 119.950 0.245 0.000 2.161 482 F HA -0.152 4.376 4.527 0.002 0.000 0.300 482 F C 2.254 178.216 175.800 0.270 0.000 1.089 482 F CA 1.242 59.428 58.000 0.310 0.000 1.282 482 F CB -0.833 38.376 39.000 0.348 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.648 115.286 114.554 0.140 0.000 2.708 483 T HA -0.187 4.165 4.350 0.002 0.000 0.266 483 T C 1.864 176.564 174.700 -0.000 0.000 1.037 483 T CA 1.546 63.608 62.100 -0.065 0.000 1.146 483 T CB -0.393 68.520 68.868 0.074 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.844 119.641 118.700 0.163 0.000 2.142 484 N HA -0.017 4.724 4.740 0.002 0.000 0.186 484 N C 1.152 176.893 175.510 0.384 0.000 1.023 484 N CA 0.629 53.840 53.050 0.268 0.000 0.852 484 N CB -0.181 38.522 38.487 0.359 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.835 120.749 119.800 0.190 0.000 2.030 488 Q HA -0.230 4.112 4.340 0.002 0.000 0.204 488 Q C 2.051 178.149 176.000 0.165 0.000 0.986 488 Q CA 2.665 58.486 55.803 0.030 0.000 0.843 488 Q CB -0.229 28.285 28.738 -0.374 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.370 118.540 119.800 0.184 0.000 2.234 489 Q HA -0.179 4.162 4.340 0.002 0.000 0.206 489 Q C 1.751 177.926 176.000 0.292 0.000 0.980 489 Q CA 1.352 57.281 55.803 0.210 0.000 0.869 489 Q CB -0.267 28.579 28.738 0.181 0.000 0.912 489 Q HN 0.476 nan 8.270 nan 0.000 0.436 490 F N 0.198 120.256 119.950 0.180 0.000 2.186 490 F HA -0.154 4.374 4.527 0.002 0.000 0.299 490 F C 1.565 177.581 175.800 0.361 0.000 1.090 490 F CA 1.087 59.214 58.000 0.212 0.000 1.307 490 F CB -0.467 38.653 39.000 0.199 0.000 1.019 490 F HN 0.192 nan 8.300 nan 0.000 0.489 491 F N 1.321 121.314 119.950 0.071 0.000 2.074 491 F HA -0.090 4.439 4.527 0.002 0.000 0.290 491 F C 2.127 177.918 175.800 -0.015 0.000 1.118 491 F CA 1.849 59.776 58.000 -0.121 0.000 1.199 491 F CB -1.069 37.698 39.000 -0.388 0.000 1.012 491 F HN -0.142 nan 8.300 nan 0.000 0.472 492 N N -0.356 118.411 118.700 0.111 0.000 2.242 492 N HA -0.296 4.446 4.740 0.002 0.000 0.191 492 N C 1.640 177.256 175.510 0.176 0.000 1.005 492 N CA 1.850 54.953 53.050 0.089 0.000 0.877 492 N CB -0.663 37.959 38.487 0.224 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.261 117.841 119.070 0.053 0.000 2.329 493 H HA -0.005 4.553 4.556 0.002 0.000 0.306 493 H C 2.108 177.500 175.328 0.106 0.000 1.062 493 H CA 1.534 57.631 56.048 0.081 0.000 1.364 493 H CB -0.224 29.566 29.762 0.046 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.337 118.749 119.070 0.026 0.000 2.426 494 H HA -0.146 4.412 4.556 0.002 0.000 0.298 494 H C 2.197 177.422 175.328 -0.171 0.000 1.107 494 H CA 2.056 58.044 56.048 -0.100 0.000 1.298 494 H CB -0.156 29.464 29.762 -0.237 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.175 118.261 119.600 -0.274 0.000 2.288 495 M HA -0.058 4.423 4.480 0.002 0.000 0.266 495 M C 1.693 178.008 176.300 0.025 0.000 1.072 495 M CA 1.040 56.147 55.300 -0.322 0.000 1.132 495 M CB -0.086 32.174 32.600 -0.567 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.168 120.156 119.950 0.063 0.000 2.163 496 F HA -0.116 4.412 4.527 0.002 0.000 0.297 496 F C 1.739 177.514 175.800 -0.041 0.000 1.094 496 F CA 1.145 59.280 58.000 0.226 0.000 1.290 496 F CB -0.378 38.588 39.000 -0.057 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.726 120.578 119.914 -0.104 0.000 2.261 497 V HA -0.295 3.826 4.120 0.002 0.000 0.246 497 V C 2.417 178.319 176.094 -0.320 0.000 1.047 497 V CA 1.963 64.085 62.300 -0.295 0.000 1.015 497 V CB -0.862 30.858 31.823 -0.171 0.000 0.642 497 V HN 0.406 nan 8.190 nan 0.000 0.446 498 L N -0.271 120.753 121.223 -0.330 0.000 1.989 498 L HA -0.177 4.164 4.340 0.002 0.000 0.211 498 L C 2.635 179.352 176.870 -0.254 0.000 1.071 498 L CA 1.970 56.607 54.840 -0.337 0.000 0.749 498 L CB -0.687 41.101 42.059 -0.452 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.400 119.681 120.200 -0.199 0.000 2.035 499 E HA -0.354 3.998 4.350 0.002 0.000 0.204 499 E C 2.078 178.504 176.600 -0.289 0.000 1.025 499 E CA 1.831 58.093 56.400 -0.230 0.000 0.835 499 E CB -0.514 29.173 29.700 -0.021 0.000 0.764 499 E HN 0.642 nan 8.360 nan 0.000 0.457 500 Q N 0.461 120.239 119.800 -0.036 0.000 2.376 500 Q HA -0.220 4.121 4.340 0.002 0.000 0.211 500 Q C 1.809 177.718 176.000 -0.151 0.000 0.986 500 Q CA 1.600 57.363 55.803 -0.066 0.000 0.886 500 Q CB -0.031 28.395 28.738 -0.519 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.220 119.863 120.200 -0.194 0.000 2.076 501 E HA -0.182 4.169 4.350 0.002 0.000 0.190 501 E C 1.700 178.226 176.600 -0.124 0.000 0.979 501 E CA 0.897 57.207 56.400 -0.149 0.000 0.807 501 E CB 0.167 29.777 29.700 -0.150 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.167 119.922 120.200 -0.186 0.000 2.012 502 E HA -0.148 4.203 4.350 0.002 0.000 0.197 502 E C 0.067 176.610 176.600 -0.094 0.000 1.007 502 E CA 0.999 57.316 56.400 -0.138 0.000 0.816 502 E CB -0.265 29.341 29.700 -0.157 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.229 109.832 108.800 -0.328 0.000 2.148 507 G HA2 -0.159 3.802 3.960 0.002 0.000 0.157 507 G HA3 -0.159 3.802 3.960 0.002 0.000 0.157 507 G C 0.186 174.991 174.900 -0.159 0.000 1.012 507 G CA 0.065 45.041 45.100 -0.207 0.000 0.677 507 G HN 0.146 nan 8.290 nan 0.000 0.506 508 I N 0.255 120.684 120.570 -0.236 0.000 2.945 508 I HA 0.341 4.513 4.170 0.002 0.000 0.292 508 I C 0.786 176.810 176.117 -0.155 0.000 1.093 508 I CA -0.153 60.966 61.300 -0.301 0.000 1.336 508 I CB 0.967 38.589 38.000 -0.631 0.000 1.435 508 I HN 0.051 nan 8.210 nan 0.000 0.593 509 E N 4.405 124.530 120.200 -0.125 0.000 2.267 509 E HA 0.182 4.533 4.350 0.002 0.000 0.241 509 E C -1.592 175.096 176.600 0.147 0.000 0.950 509 E CA -0.316 56.083 56.400 -0.002 0.000 0.776 509 E CB 0.765 30.466 29.700 0.000 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.421 124.627 121.300 -0.156 0.000 2.619 510 W HA 0.306 4.967 4.660 0.002 0.000 0.327 510 W C -0.850 175.771 176.519 0.171 0.000 1.027 510 W CA -0.644 56.658 57.345 -0.072 0.000 1.233 510 W CB 1.473 30.675 29.460 -0.430 0.000 1.370 510 W HN 0.343 nan 8.180 nan 0.000 0.453 511 E N 4.604 124.592 120.200 -0.352 0.000 2.179 511 E HA 0.501 4.852 4.350 0.002 0.000 0.275 511 E C -1.066 175.368 176.600 -0.276 0.000 0.945 511 E CA -0.596 55.644 56.400 -0.267 0.000 0.792 511 E CB 1.972 31.536 29.700 -0.226 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.141 119.615 119.950 -0.324 0.000 2.688 512 F HA 0.509 5.037 4.527 0.002 0.000 0.308 512 F C -1.338 174.439 175.800 -0.039 0.000 1.117 512 F CA -1.232 56.620 58.000 -0.246 0.000 0.976 512 F CB 0.480 39.339 39.000 -0.236 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.487 123.032 120.570 -0.041 0.000 2.638 513 I HA 0.095 4.266 4.170 0.002 0.000 0.286 513 I C 0.495 176.336 176.117 -0.459 0.000 1.088 513 I CA -0.058 61.142 61.300 -0.166 0.000 1.397 513 I CB 0.439 38.356 38.000 -0.138 0.000 1.414 513 I HN 0.705 nan 8.210 nan 0.000 0.566 514 D N 4.577 124.321 120.400 -1.093 0.000 2.571 514 D HA -0.142 4.499 4.640 0.002 0.000 0.231 514 D C 0.553 176.361 176.300 -0.819 0.000 1.133 514 D CA 0.709 53.597 54.000 -1.853 0.000 0.862 514 D CB 0.542 40.606 40.800 -1.228 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.709 121.530 119.950 -0.215 0.000 2.710 515 F HA 0.154 4.683 4.527 0.002 0.000 0.298 515 F C 2.387 178.176 175.800 -0.017 0.000 1.137 515 F CA 0.271 58.266 58.000 -0.009 0.000 1.444 515 F CB -0.219 38.826 39.000 0.076 0.000 1.111 515 F HN 0.496 nan 8.300 nan 0.000 0.580 516 G N 0.303 109.153 108.800 0.083 0.000 2.421 516 G HA2 -0.327 3.634 3.960 0.002 0.000 0.216 516 G HA3 -0.327 3.634 3.960 0.002 0.000 0.216 516 G C 1.729 176.674 174.900 0.075 0.000 1.171 516 G CA 0.854 46.022 45.100 0.113 0.000 0.775 516 G HN 0.327 nan 8.290 nan 0.000 0.543 517 M N 0.622 120.224 119.600 0.003 0.000 2.201 517 M HA -0.222 4.260 4.480 0.002 0.000 0.251 517 M C 1.804 178.130 176.300 0.045 0.000 1.090 517 M CA 2.217 57.516 55.300 -0.001 0.000 1.063 517 M CB -0.274 32.287 32.600 -0.065 0.000 1.360 517 M HN 0.146 nan 8.290 nan 0.000 0.401 518 D N -0.154 120.291 120.400 0.074 0.000 2.218 518 D HA -0.104 4.537 4.640 0.002 0.000 0.204 518 D C 1.622 177.988 176.300 0.111 0.000 0.976 518 D CA 1.320 55.378 54.000 0.096 0.000 0.853 518 D CB 0.011 40.885 40.800 0.123 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.180 121.478 121.223 0.125 0.000 2.477 519 L HA 0.161 4.502 4.340 0.002 0.000 0.220 519 L C 2.326 179.280 176.870 0.139 0.000 1.106 519 L CA 0.265 55.199 54.840 0.156 0.000 0.851 519 L CB -0.406 41.770 42.059 0.195 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.514 123.399 122.820 0.107 0.000 1.997 520 A HA -0.248 4.074 4.320 0.002 0.000 0.221 520 A C 2.569 180.208 177.584 0.091 0.000 1.172 520 A CA 1.933 54.026 52.037 0.095 0.000 0.645 520 A CB -0.749 18.290 19.000 0.066 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.047 121.824 122.820 0.084 0.000 1.851 521 A HA -0.266 4.055 4.320 0.002 0.000 0.216 521 A C 2.468 180.096 177.584 0.073 0.000 1.195 521 A CA 1.846 53.926 52.037 0.072 0.000 0.622 521 A CB -1.514 17.529 19.000 0.070 0.000 0.831 521 A HN 0.853 nan 8.150 nan 0.000 0.444 522 C N -0.613 118.741 119.300 0.090 0.000 2.432 522 C HA -0.079 4.383 4.460 0.002 0.000 0.277 522 C C 2.611 177.662 174.990 0.102 0.000 1.249 522 C CA 1.077 60.139 59.018 0.073 0.000 1.725 522 C CB -1.551 26.222 27.740 0.056 0.000 2.028 522 C HN 0.582 nan 8.230 nan 0.000 0.477 523 I N 1.477 122.153 120.570 0.178 0.000 2.127 523 I HA -0.225 3.946 4.170 0.002 0.000 0.241 523 I C 2.607 178.822 176.117 0.163 0.000 1.075 523 I CA 2.132 63.587 61.300 0.260 0.000 1.334 523 I CB -0.641 37.522 38.000 0.271 0.000 1.040 523 I HN 0.465 nan 8.210 nan 0.000 0.405 524 E N 0.688 120.951 120.200 0.105 0.000 2.097 524 E HA -0.298 4.053 4.350 0.002 0.000 0.196 524 E C 2.228 178.834 176.600 0.010 0.000 1.000 524 E CA 1.397 57.837 56.400 0.066 0.000 0.804 524 E CB -0.711 29.023 29.700 0.057 0.000 0.740 524 E HN 0.413 nan 8.360 nan 0.000 0.454 525 L N 1.027 122.231 121.223 -0.032 0.000 2.127 525 L HA -0.132 4.210 4.340 0.002 0.000 0.211 525 L C 2.193 178.920 176.870 -0.239 0.000 1.089 525 L CA 1.364 56.115 54.840 -0.148 0.000 0.757 525 L CB -0.103 41.870 42.059 -0.143 0.000 0.899 525 L HN 0.076 nan 8.230 nan 0.000 0.434 526 I N -1.141 119.298 120.570 -0.218 0.000 2.385 526 I HA -0.058 4.114 4.170 0.002 0.000 0.244 526 I C 1.350 177.280 176.117 -0.311 0.000 1.089 526 I CA 0.422 61.468 61.300 -0.425 0.000 1.410 526 I CB -0.222 37.391 38.000 -0.646 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.985 120.616 119.600 0.053 0.000 2.453 530 M HA 0.325 4.806 4.480 0.002 0.000 0.239 530 M C 0.746 177.134 176.300 0.147 0.000 1.151 530 M CA 0.410 55.735 55.300 0.041 0.000 0.989 530 M CB 0.116 32.690 32.600 -0.044 0.000 1.548 530 M HN 0.112 nan 8.290 nan 0.000 0.479 531 G N 0.309 109.187 108.800 0.129 0.000 2.572 531 G HA2 0.360 4.321 3.960 0.002 0.000 0.261 531 G HA3 0.360 4.321 3.960 0.002 0.000 0.261 531 G C 1.203 176.099 174.900 -0.008 0.000 1.197 531 G CA -0.689 44.435 45.100 0.041 0.000 0.870 531 G HN 0.236 nan 8.290 nan 0.000 0.548 532 I N -0.151 120.296 120.570 -0.206 0.000 2.203 532 I HA -0.355 3.816 4.170 0.002 0.000 0.237 532 I C 2.481 178.631 176.117 0.055 0.000 0.993 532 I CA 1.929 63.119 61.300 -0.182 0.000 1.277 532 I CB -0.719 37.048 38.000 -0.388 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.083 121.061 119.950 0.046 0.000 2.065 533 F HA -0.243 4.285 4.527 0.002 0.000 0.298 533 F C 3.052 178.907 175.800 0.090 0.000 1.112 533 F CA 1.827 59.876 58.000 0.083 0.000 1.212 533 F CB -1.385 37.633 39.000 0.029 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.273 116.126 115.700 0.254 0.000 2.365 534 S HA -0.214 4.257 4.470 0.002 0.000 0.221 534 S C 2.227 176.925 174.600 0.164 0.000 1.037 534 S CA 1.660 59.963 58.200 0.172 0.000 1.060 534 S CB -0.643 62.630 63.200 0.122 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.053 121.723 120.570 0.166 0.000 2.300 535 I HA -0.217 3.954 4.170 0.002 0.000 0.252 535 I C 2.217 178.496 176.117 0.270 0.000 1.119 535 I CA 0.808 62.219 61.300 0.186 0.000 1.384 535 I CB -0.287 37.800 38.000 0.144 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.095 122.501 121.223 0.305 0.000 2.044 536 L HA -0.181 4.160 4.340 0.002 0.000 0.205 536 L C 2.385 179.253 176.870 -0.003 0.000 1.075 536 L CA 1.842 56.726 54.840 0.074 0.000 0.747 536 L CB -0.688 41.504 42.059 0.222 0.000 0.903 536 L HN 0.338 nan 8.230 nan 0.000 0.435 537 E N -1.503 118.757 120.200 0.099 0.000 2.502 537 E HA -0.125 4.226 4.350 0.002 0.000 0.194 537 E C 1.518 178.164 176.600 0.075 0.000 1.062 537 E CA 0.351 56.788 56.400 0.063 0.000 0.867 537 E CB -0.044 29.697 29.700 0.069 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.446 121.709 120.200 0.105 0.000 2.065 538 E HA -0.129 4.222 4.350 0.002 0.000 0.191 538 E C 1.649 178.386 176.600 0.229 0.000 0.960 538 E CA 0.288 56.783 56.400 0.158 0.000 0.824 538 E CB 0.202 30.001 29.700 0.164 0.000 0.793 538 E HN 0.025 nan 8.360 nan 0.000 0.459 539 E N 0.234 120.525 120.200 0.153 0.000 2.233 539 E HA -0.209 4.143 4.350 0.002 0.000 0.199 539 E C 1.673 178.368 176.600 0.158 0.000 1.004 539 E CA 0.919 57.396 56.400 0.127 0.000 0.819 539 E CB -0.267 29.440 29.700 0.011 0.000 0.738 539 E HN 0.244 nan 8.360 nan 0.000 0.478 540 C N -0.508 118.836 119.300 0.074 0.000 2.466 540 C HA 0.036 4.498 4.460 0.002 0.000 0.283 540 C C 2.173 177.207 174.990 0.072 0.000 1.472 540 C CA 0.437 59.475 59.018 0.034 0.000 1.765 540 C CB -0.893 26.838 27.740 -0.014 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.681 118.002 119.600 0.137 0.000 2.465 541 M HA 0.210 4.691 4.480 0.002 0.000 0.249 541 M C -0.285 176.000 176.300 -0.025 0.000 1.130 541 M CA 0.419 55.745 55.300 0.044 0.000 1.067 541 M CB 0.223 32.829 32.600 0.010 0.000 1.394 541 M HN 0.119 nan 8.290 nan 0.000 0.483 542 F N 1.535 121.484 119.950 -0.001 0.000 2.404 542 F HA 0.233 4.761 4.527 0.002 0.000 0.359 542 F C -1.473 174.328 175.800 0.002 0.000 1.134 542 F CA -2.251 55.751 58.000 0.004 0.000 1.160 542 F CB 0.240 39.247 39.000 0.012 0.000 1.186 542 F HN -0.020 nan 8.300 nan 0.000 0.526 543 P HA -0.186 nan 4.420 nan 0.000 0.224 543 P C 0.253 177.600 177.300 0.078 0.000 1.142 543 P CA 1.377 64.510 63.100 0.054 0.000 0.778 543 P CB 0.188 31.895 31.700 0.012 0.000 0.764 544 K N -1.244 119.230 120.400 0.124 0.000 3.012 544 K HA 0.436 4.757 4.320 0.002 0.000 0.207 544 K C -0.239 176.425 176.600 0.107 0.000 1.130 544 K CA -0.337 56.009 56.287 0.099 0.000 1.021 544 K CB 1.141 33.693 32.500 0.087 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.404 123.294 122.820 0.116 0.000 2.264 545 A HA 0.680 5.002 4.320 0.002 0.000 0.304 545 A C 0.025 177.641 177.584 0.053 0.000 1.100 545 A CA -0.061 52.021 52.037 0.076 0.000 0.839 545 A CB 0.848 19.895 19.000 0.078 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.154 114.429 114.554 0.048 0.000 2.916 546 T HA 0.340 4.691 4.350 0.002 0.000 0.292 546 T C 0.168 174.916 174.700 0.080 0.000 1.064 546 T CA -0.387 61.745 62.100 0.052 0.000 1.011 546 T CB 1.475 70.372 68.868 0.048 0.000 1.152 546 T HN 0.583 nan 8.240 nan 0.000 0.510 547 D N 0.975 121.420 120.400 0.075 0.000 2.104 547 D HA -0.088 4.554 4.640 0.002 0.000 0.194 547 D C 2.092 178.460 176.300 0.113 0.000 0.994 547 D CA 1.515 55.582 54.000 0.113 0.000 0.830 547 D CB -0.314 40.508 40.800 0.038 0.000 0.959 547 D HN 0.467 nan 8.370 nan 0.000 0.452 548 T N 0.120 114.712 114.554 0.063 0.000 2.720 548 T HA -0.185 4.167 4.350 0.002 0.000 0.268 548 T C 2.076 176.800 174.700 0.041 0.000 1.037 548 T CA 1.825 63.955 62.100 0.049 0.000 1.144 548 T CB -0.310 68.591 68.868 0.056 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.318 117.049 115.700 0.053 0.000 2.354 549 S HA -0.116 4.355 4.470 0.002 0.000 0.219 549 S C 1.051 175.676 174.600 0.041 0.000 1.035 549 S CA 0.474 58.691 58.200 0.028 0.000 1.037 549 S CB -0.901 62.306 63.200 0.012 0.000 0.956 549 S HN 0.372 nan 8.310 nan 0.000 0.428 555 Y N 0.943 121.150 120.300 -0.155 0.000 2.114 555 Y HA -0.092 4.459 4.550 0.002 0.000 0.284 555 Y C 2.207 178.034 175.900 -0.121 0.000 1.119 555 Y CA 1.715 59.786 58.100 -0.048 0.000 1.108 555 Y CB -0.675 37.811 38.460 0.043 0.000 0.995 555 Y HN 0.144 nan 8.280 nan 0.000 0.491 556 D N -0.142 120.308 120.400 0.084 0.000 2.244 556 D HA -0.247 4.395 4.640 0.002 0.000 0.197 556 D C 1.949 178.185 176.300 -0.106 0.000 1.006 556 D CA 1.976 55.967 54.000 -0.015 0.000 0.888 556 D CB -0.142 40.637 40.800 -0.036 0.000 0.912 556 D HN 0.494 nan 8.370 nan 0.000 0.452 557 E N -1.471 118.600 120.200 -0.214 0.000 2.307 557 E HA -0.042 4.309 4.350 0.002 0.000 0.195 557 E C 1.524 177.768 176.600 -0.593 0.000 0.975 557 E CA 0.736 56.897 56.400 -0.398 0.000 0.878 557 E CB 0.229 29.629 29.700 -0.499 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.713 118.117 119.070 -0.401 0.000 2.788 558 H HA 0.225 4.782 4.556 0.002 0.000 0.262 558 H C 0.236 175.404 175.328 -0.267 0.000 0.968 558 H CA -0.164 55.551 56.048 -0.554 0.000 1.218 558 H CB 0.261 29.249 29.762 -1.290 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.246 122.500 121.223 0.052 0.000 2.499 559 L HA 0.161 4.502 4.340 0.002 0.000 0.273 559 L C 1.305 178.269 176.870 0.156 0.000 1.195 559 L CA 1.119 56.157 54.840 0.329 0.000 0.882 559 L CB 0.339 42.648 42.059 0.417 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.023 111.926 108.800 0.171 0.000 2.347 560 G HA2 -0.331 3.630 3.960 0.002 0.000 0.247 560 G HA3 -0.331 3.630 3.960 0.002 0.000 0.247 560 G C 1.217 176.162 174.900 0.075 0.000 1.037 560 G CA 0.543 45.700 45.100 0.095 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.145 120.585 120.400 0.067 0.000 2.323 561 K HA 0.303 4.624 4.320 0.002 0.000 0.197 561 K C 0.420 177.062 176.600 0.069 0.000 1.043 561 K CA 0.668 56.978 56.287 0.039 0.000 0.997 561 K CB 0.206 32.699 32.500 -0.013 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.046 115.819 115.700 0.122 0.000 2.532 562 S HA 0.214 4.685 4.470 0.002 0.000 0.299 562 S C 0.224 174.934 174.600 0.184 0.000 1.105 562 S CA -0.643 57.645 58.200 0.148 0.000 1.018 562 S CB 1.773 65.068 63.200 0.158 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.747 121.526 118.700 0.132 0.000 2.250 563 N HA -0.034 4.707 4.740 0.002 0.000 0.181 563 N C 1.027 176.610 175.510 0.122 0.000 1.017 563 N CA 0.747 53.865 53.050 0.114 0.000 0.866 563 N CB 0.009 38.545 38.487 0.082 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.854 117.922 118.700 0.127 0.000 2.494 564 N HA -0.024 4.717 4.740 0.002 0.000 0.182 564 N C -0.621 174.978 175.510 0.149 0.000 1.076 564 N CA 0.173 53.290 53.050 0.111 0.000 0.908 564 N CB 0.164 38.698 38.487 0.079 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.656 121.626 119.950 0.033 0.000 2.404 565 F HA 0.357 4.885 4.527 0.002 0.000 0.345 565 F C -0.089 175.771 175.800 0.101 0.000 1.110 565 F CA -0.250 57.781 58.000 0.053 0.000 1.130 565 F CB 0.625 39.633 39.000 0.013 0.000 1.129 565 F HN -0.116 nan 8.300 nan 0.000 0.500 566 Q N 4.094 123.629 119.800 -0.441 0.000 2.482 566 Q HA 0.285 4.626 4.340 0.002 0.000 0.286 566 Q C -1.462 174.401 176.000 -0.227 0.000 1.007 566 Q CA -1.309 54.378 55.803 -0.193 0.000 0.801 566 Q CB 3.013 31.715 28.738 -0.061 0.000 1.455 566 Q HN 0.627 nan 8.270 nan 0.000 0.398 567 K N 0.551 120.919 120.400 -0.053 0.000 2.183 567 K HA 0.563 4.884 4.320 0.002 0.000 0.274 567 K C -2.561 174.037 176.600 -0.004 0.000 1.009 567 K CA -1.779 54.523 56.287 0.024 0.000 0.888 567 K CB 0.884 33.399 32.500 0.024 0.000 1.078 567 K HN 0.136 nan 8.250 nan 0.000 0.459 568 P HA -0.085 nan 4.420 nan 0.000 0.266 568 P C -1.058 176.225 177.300 -0.027 0.000 1.195 568 P CA -0.075 63.008 63.100 -0.028 0.000 0.768 568 P CB 0.501 32.172 31.700 -0.050 0.000 0.838 569 K N 4.276 124.661 120.400 -0.026 0.000 2.266 569 K HA 0.246 4.567 4.320 0.002 0.000 0.274 569 K C -2.013 174.574 176.600 -0.021 0.000 1.090 569 K CA -1.823 54.452 56.287 -0.020 0.000 0.925 569 K CB -0.168 32.324 32.500 -0.013 0.000 1.225 569 K HN 0.301 nan 8.250 nan 0.000 0.458 570 P HA 0.013 nan 4.420 nan 0.000 0.263 570 P C -1.058 176.236 177.300 -0.010 0.000 1.175 570 P CA -0.071 63.017 63.100 -0.019 0.000 0.761 570 P CB 1.006 32.694 31.700 -0.020 0.000 0.794 576 E N -0.689 119.587 120.200 0.127 0.000 2.330 576 E HA 0.666 5.017 4.350 0.002 0.000 0.256 576 E C -0.367 176.211 176.600 -0.037 0.000 1.146 576 E CA -0.048 56.363 56.400 0.018 0.000 0.945 576 E CB 1.657 31.356 29.700 -0.002 0.000 1.182 576 E HN 1.269 nan 8.360 nan 0.000 0.480 577 A N 0.675 123.379 122.820 -0.195 0.000 2.589 577 A HA 0.366 4.688 4.320 0.002 0.000 0.296 577 A C -0.905 176.476 177.584 -0.337 0.000 1.062 577 A CA -0.551 51.378 52.037 -0.180 0.000 0.686 577 A CB 0.972 19.902 19.000 -0.116 0.000 1.282 577 A HN 0.792 nan 8.150 nan 0.000 0.404 578 H N 0.437 119.464 119.070 -0.071 0.000 3.017 578 H HA 0.297 4.854 4.556 0.002 0.000 0.255 578 H C -0.627 174.783 175.328 0.137 0.000 0.990 578 H CA 1.054 57.121 56.048 0.030 0.000 1.205 578 H CB 1.043 30.796 29.762 -0.015 0.000 1.460 578 H HN 0.790 nan 8.280 nan 0.000 0.478 579 F N 0.548 120.505 119.950 0.011 0.000 2.680 579 F HA 0.462 4.990 4.527 0.002 0.000 0.315 579 F C -1.573 174.204 175.800 -0.038 0.000 1.099 579 F CA -1.267 56.659 58.000 -0.124 0.000 1.033 579 F CB 0.873 39.687 39.000 -0.310 0.000 1.285 579 F HN -0.163 nan 8.300 nan 0.000 0.457 580 S N 3.478 119.175 115.700 -0.006 0.000 2.593 580 S HA 0.904 5.375 4.470 0.002 0.000 0.297 580 S C -1.291 173.383 174.600 0.123 0.000 1.112 580 S CA -0.760 57.440 58.200 -0.001 0.000 1.043 580 S CB 2.287 65.463 63.200 -0.039 0.000 1.054 580 S HN 0.762 nan 8.310 nan 0.000 0.516 581 L N 1.248 122.599 121.223 0.215 0.000 2.354 581 L HA 0.587 4.928 4.340 0.002 0.000 0.264 581 L C -0.835 176.126 176.870 0.151 0.000 1.008 581 L CA -0.628 54.330 54.840 0.198 0.000 0.819 581 L CB 2.322 44.535 42.059 0.258 0.000 1.339 581 L HN 0.646 nan 8.230 nan 0.000 0.420 582 V N 3.022 122.977 119.914 0.068 0.000 2.217 582 V HA 0.315 4.436 4.120 0.002 0.000 0.264 582 V C 0.143 176.286 176.094 0.082 0.000 1.107 582 V CA -0.656 61.698 62.300 0.091 0.000 0.913 582 V CB -0.359 31.510 31.823 0.075 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.687 121.838 119.070 0.134 0.000 2.544 583 H HA 0.103 4.660 4.556 0.002 0.000 0.365 583 H C 1.190 176.471 175.328 -0.079 0.000 1.268 583 H CA 0.226 56.326 56.048 0.087 0.000 1.400 583 H CB 1.236 31.126 29.762 0.214 0.000 1.538 583 H HN 0.666 nan 8.280 nan 0.000 0.597 584 Y N -0.030 120.334 120.300 0.106 0.000 2.165 584 Y HA -0.163 4.388 4.550 0.002 0.000 0.286 584 Y C 2.211 178.024 175.900 -0.146 0.000 1.155 584 Y CA 1.085 59.173 58.100 -0.019 0.000 1.164 584 Y CB -0.910 37.538 38.460 -0.019 0.000 0.978 584 Y HN 0.527 nan 8.280 nan 0.000 0.513 585 A N 0.517 122.739 122.820 -0.997 0.000 2.014 585 A HA 0.432 4.753 4.320 0.002 0.000 0.218 585 A C 1.582 178.953 177.584 -0.354 0.000 1.163 585 A CA 1.326 52.900 52.037 -0.771 0.000 0.652 585 A CB -1.110 16.958 19.000 -1.553 0.000 0.808 585 A HN 0.984 nan 8.150 nan 0.000 0.449 586 G N -2.864 105.803 108.800 -0.222 0.000 2.350 586 G HA2 0.330 4.291 3.960 0.002 0.000 0.276 586 G HA3 0.330 4.291 3.960 0.002 0.000 0.276 586 G C -0.773 174.192 174.900 0.109 0.000 1.313 586 G CA -0.108 44.978 45.100 -0.023 0.000 0.903 586 G HN 0.200 nan 8.290 nan 0.000 0.490 587 T N 0.643 115.250 114.554 0.087 0.000 2.743 587 T HA 0.549 4.901 4.350 0.002 0.000 0.293 587 T C -0.057 174.672 174.700 0.048 0.000 0.945 587 T CA -0.100 62.057 62.100 0.095 0.000 1.030 587 T CB 1.200 70.091 68.868 0.039 0.000 0.912 587 T HN 0.728 nan 8.240 nan 0.000 0.483 588 V N 4.434 124.379 119.914 0.053 0.000 2.417 588 V HA 0.317 4.438 4.120 0.002 0.000 0.291 588 V C -0.130 175.722 176.094 -0.403 0.000 1.024 588 V CA -1.025 61.119 62.300 -0.260 0.000 0.861 588 V CB 1.807 33.327 31.823 -0.504 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.276 124.426 120.400 -0.417 0.000 2.347 589 D HA 0.327 4.968 4.640 0.002 0.000 0.235 589 D C -0.933 175.078 176.300 -0.483 0.000 1.149 589 D CA 0.111 53.905 54.000 -0.343 0.000 0.850 589 D CB 1.183 41.868 40.800 -0.191 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.287 121.309 120.300 -0.464 0.000 2.342 590 Y HA 0.169 4.720 4.550 0.002 0.000 0.334 590 Y C 1.006 176.661 175.900 -0.408 0.000 1.067 590 Y CA -0.876 56.907 58.100 -0.529 0.000 1.128 590 Y CB 1.193 39.161 38.460 -0.819 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.957 122.602 118.700 -0.092 0.000 2.424 591 N HA 0.276 5.017 4.740 0.002 0.000 0.271 591 N C -1.104 174.234 175.510 -0.286 0.000 0.985 591 N CA -0.305 52.746 53.050 0.001 0.000 0.921 591 N CB 0.789 39.214 38.487 -0.104 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.860 122.910 120.570 -0.868 0.000 2.261 592 I HA 0.050 4.222 4.170 0.002 0.000 0.285 592 I C 0.194 175.822 176.117 -0.815 0.000 1.113 592 I CA -0.230 60.173 61.300 -1.495 0.000 1.377 592 I CB 0.048 37.390 38.000 -1.097 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.290 117.830 115.700 -0.266 0.000 2.652 593 S HA 0.693 5.164 4.470 0.002 0.000 0.252 593 S C 0.277 175.053 174.600 0.292 0.000 1.219 593 S CA 0.079 58.308 58.200 0.048 0.000 1.151 593 S CB 1.286 64.541 63.200 0.092 0.000 1.080 593 S HN 0.804 nan 8.310 nan 0.000 0.481 594 G N 2.754 111.718 108.800 0.274 0.000 2.318 594 G HA2 -0.173 3.788 3.960 0.002 0.000 0.172 594 G HA3 -0.173 3.788 3.960 0.002 0.000 0.172 594 G C 0.572 175.583 174.900 0.184 0.000 1.002 594 G CA 0.084 45.311 45.100 0.212 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.783 121.994 121.300 -0.148 0.000 2.317 595 W HA 0.114 4.775 4.660 0.002 0.000 0.318 595 W C 2.394 178.653 176.519 -0.433 0.000 1.227 595 W CA 1.488 58.621 57.345 -0.354 0.000 1.269 595 W CB -1.312 27.998 29.460 -0.251 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.194 121.368 121.223 -0.081 0.000 1.997 596 L HA -0.196 4.145 4.340 0.002 0.000 0.216 596 L C 1.689 178.484 176.870 -0.124 0.000 1.074 596 L CA 1.740 56.481 54.840 -0.165 0.000 0.763 596 L CB -1.282 40.712 42.059 -0.109 0.000 0.890 596 L HN -0.080 nan 8.230 nan 0.000 0.434 602 P HA 0.373 nan 4.420 nan 0.000 0.271 602 P C -0.876 176.475 177.300 0.085 0.000 1.233 602 P CA -0.374 62.772 63.100 0.077 0.000 0.764 602 P CB 0.687 32.412 31.700 0.043 0.000 0.825 603 L N 2.981 124.260 121.223 0.093 0.000 2.436 603 L HA 0.315 4.656 4.340 0.002 0.000 0.268 603 L C 0.097 176.951 176.870 -0.027 0.000 0.974 603 L CA -0.841 54.021 54.840 0.036 0.000 0.826 603 L CB 1.686 43.757 42.059 0.019 0.000 1.291 603 L HN 0.320 nan 8.230 nan 0.000 0.406 604 N N 2.168 120.825 118.700 -0.072 0.000 2.406 604 N HA -0.030 4.711 4.740 0.002 0.000 0.274 604 N C 0.621 176.028 175.510 -0.173 0.000 1.249 604 N CA 0.478 53.466 53.050 -0.104 0.000 0.951 604 N CB 0.500 38.925 38.487 -0.104 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.618 121.746 120.200 -0.119 0.000 2.265 605 E HA -0.138 4.213 4.350 0.002 0.000 0.196 605 E C 0.917 177.420 176.600 -0.161 0.000 0.996 605 E CA 1.331 57.652 56.400 -0.132 0.000 0.832 605 E CB 0.173 29.870 29.700 -0.005 0.000 0.756 605 E HN 0.666 nan 8.360 nan 0.000 0.491 606 T N 0.107 114.575 114.554 -0.143 0.000 2.737 606 T HA -0.122 4.230 4.350 0.002 0.000 0.265 606 T C 2.047 176.621 174.700 -0.211 0.000 1.038 606 T CA 1.144 63.164 62.100 -0.133 0.000 1.144 606 T CB -0.158 68.655 68.868 -0.092 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.183 121.925 119.914 -0.286 0.000 2.287 607 V HA -0.159 3.962 4.120 0.002 0.000 0.248 607 V C 2.490 178.111 176.094 -0.789 0.000 1.053 607 V CA 1.423 63.449 62.300 -0.457 0.000 1.027 607 V CB -0.756 30.794 31.823 -0.457 0.000 0.646 607 V HN 0.496 nan 8.190 nan 0.000 0.447 608 I N 1.003 121.092 120.570 -0.802 0.000 2.315 608 I HA -0.231 3.940 4.170 0.002 0.000 0.251 608 I C 2.566 178.378 176.117 -0.508 0.000 1.125 608 I CA 1.784 62.538 61.300 -0.910 0.000 1.392 608 I CB -1.365 36.198 38.000 -0.728 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.586 110.187 108.800 -0.332 0.000 2.459 609 G HA2 -0.232 3.729 3.960 0.002 0.000 0.217 609 G HA3 -0.232 3.729 3.960 0.002 0.000 0.217 609 G C 1.531 176.355 174.900 -0.127 0.000 1.183 609 G CA 0.449 45.451 45.100 -0.163 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.006 121.131 121.223 -0.164 0.000 2.043 610 L HA -0.088 4.253 4.340 0.002 0.000 0.212 610 L C 2.719 179.622 176.870 0.055 0.000 1.075 610 L CA 0.921 55.728 54.840 -0.056 0.000 0.752 610 L CB -1.351 40.679 42.059 -0.049 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.250 119.967 120.300 -0.138 0.000 2.128 611 Y HA -0.153 4.398 4.550 0.002 0.000 0.284 611 Y C 1.915 177.776 175.900 -0.064 0.000 1.154 611 Y CA -0.139 57.882 58.100 -0.132 0.000 1.149 611 Y CB -1.170 37.099 38.460 -0.319 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.612 116.310 115.700 -0.003 0.000 2.528 615 S HA 0.253 4.724 4.470 0.002 0.000 0.219 615 S C 0.726 175.307 174.600 -0.032 0.000 0.985 615 S CA 0.122 58.315 58.200 -0.011 0.000 0.914 615 S CB -0.119 63.076 63.200 -0.007 0.000 0.776 615 S HN 0.537 nan 8.310 nan 0.000 0.526 619 L N 2.875 123.926 121.223 -0.288 0.000 2.042 619 L HA 0.268 4.609 4.340 0.002 0.000 0.210 619 L C 2.519 179.345 176.870 -0.073 0.000 1.076 619 L CA 2.729 57.447 54.840 -0.203 0.000 0.749 619 L CB -0.949 41.001 42.059 -0.181 0.000 0.893 619 L HN 0.389 nan 8.230 nan 0.000 0.432 620 A N -0.673 122.109 122.820 -0.063 0.000 1.883 620 A HA -0.209 4.113 4.320 0.002 0.000 0.217 620 A C 2.238 179.826 177.584 0.006 0.000 1.186 620 A CA 2.056 54.100 52.037 0.011 0.000 0.624 620 A CB -0.968 18.029 19.000 -0.004 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.959 120.208 121.223 -0.093 0.000 1.970 621 L HA -0.194 4.147 4.340 0.002 0.000 0.212 621 L C 2.332 179.136 176.870 -0.111 0.000 1.071 621 L CA 1.593 56.366 54.840 -0.110 0.000 0.751 621 L CB -0.673 41.273 42.059 -0.189 0.000 0.889 621 L HN 0.319 nan 8.230 nan 0.000 0.432 622 L N -1.533 119.541 121.223 -0.249 0.000 2.171 622 L HA -0.253 4.088 4.340 0.002 0.000 0.216 622 L C 0.983 177.709 176.870 -0.241 0.000 1.084 622 L CA 1.751 56.405 54.840 -0.310 0.000 0.771 622 L CB -0.747 41.051 42.059 -0.435 0.000 0.890 622 L HN 0.113 nan 8.230 nan 0.000 0.437 623 F N -1.745 118.197 119.950 -0.013 0.000 2.664 623 F HA 0.429 4.957 4.527 0.002 0.000 0.322 623 F C 1.060 176.911 175.800 0.086 0.000 1.324 623 F CA 0.069 58.111 58.000 0.070 0.000 1.154 623 F CB -0.046 39.004 39.000 0.083 0.000 1.236 623 F HN -0.099 nan 8.300 nan 0.000 0.532 624 A N -0.633 122.298 122.820 0.186 0.000 2.229 624 A HA 0.022 4.343 4.320 0.002 0.000 0.211 624 A C 2.013 179.677 177.584 0.133 0.000 1.193 624 A CA 0.964 53.085 52.037 0.139 0.000 0.879 624 A CB -0.240 18.806 19.000 0.076 0.000 0.911 624 A HN 0.318 nan 8.150 nan 0.000 0.492 625 T N -1.589 113.048 114.554 0.137 0.000 3.148 625 T HA 0.129 4.480 4.350 0.002 0.000 0.253 625 T C 0.437 175.202 174.700 0.109 0.000 1.134 625 T CA -0.063 62.094 62.100 0.094 0.000 1.051 625 T CB -0.605 68.297 68.868 0.057 0.000 0.959 625 T HN 0.315 nan 8.240 nan 0.000 0.525 648 T N 1.114 115.664 114.554 -0.005 0.000 2.862 648 T HA 0.418 4.769 4.350 0.002 0.000 0.276 648 T C 0.820 175.531 174.700 0.018 0.000 0.974 648 T CA 0.023 62.123 62.100 0.000 0.000 0.966 648 T CB 1.175 70.042 68.868 -0.002 0.000 1.072 648 T HN 0.448 nan 8.240 nan 0.000 0.538 649 V N 1.865 121.798 119.914 0.031 0.000 2.346 649 V HA -0.058 4.063 4.120 0.002 0.000 0.244 649 V C 2.826 178.979 176.094 0.099 0.000 1.037 649 V CA 2.123 64.468 62.300 0.075 0.000 1.029 649 V CB -0.668 31.214 31.823 0.099 0.000 0.663 649 V HN 1.030 nan 8.190 nan 0.000 0.454 650 S N 1.197 116.947 115.700 0.084 0.000 2.442 650 S HA -0.115 4.356 4.470 0.002 0.000 0.236 650 S C 2.063 176.625 174.600 -0.063 0.000 1.007 650 S CA 1.163 59.344 58.200 -0.031 0.000 0.965 650 S CB -0.525 62.553 63.200 -0.202 0.000 0.773 650 S HN 0.548 nan 8.310 nan 0.000 0.504 651 A N 1.874 124.686 122.820 -0.012 0.000 1.940 651 A HA 0.051 4.372 4.320 0.002 0.000 0.219 651 A C 2.214 179.809 177.584 0.017 0.000 1.176 651 A CA 1.533 53.568 52.037 -0.002 0.000 0.631 651 A CB -0.705 18.300 19.000 0.009 0.000 0.814 651 A HN 0.541 nan 8.150 nan 0.000 0.446 652 L N -2.628 118.630 121.223 0.058 0.000 2.071 652 L HA 0.004 4.345 4.340 0.002 0.000 0.201 652 L C 2.299 179.228 176.870 0.097 0.000 1.076 652 L CA 1.146 56.032 54.840 0.077 0.000 0.755 652 L CB -0.701 41.423 42.059 0.109 0.000 0.915 652 L HN 0.409 nan 8.230 nan 0.000 0.445 653 F N 1.384 121.333 119.950 -0.003 0.000 2.076 653 F HA -0.398 4.130 4.527 0.002 0.000 0.294 653 F C 2.579 178.390 175.800 0.019 0.000 1.078 653 F CA 1.966 59.969 58.000 0.006 0.000 1.247 653 F CB -0.438 38.516 39.000 -0.077 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.082 120.265 120.500 -0.255 0.000 2.070 654 R HA -0.178 4.163 4.340 0.002 0.000 0.233 654 R C 2.273 178.474 176.300 -0.165 0.000 1.137 654 R CA 1.797 57.752 56.100 -0.240 0.000 0.945 654 R CB -0.734 29.524 30.300 -0.070 0.000 0.845 654 R HN 0.402 nan 8.270 nan 0.000 0.430 655 E N 0.297 120.453 120.200 -0.072 0.000 2.118 655 E HA -0.202 4.149 4.350 0.002 0.000 0.195 655 E C 1.475 178.057 176.600 -0.031 0.000 0.992 655 E CA 1.631 58.011 56.400 -0.033 0.000 0.804 655 E CB 0.024 29.725 29.700 0.002 0.000 0.741 655 E HN 0.374 nan 8.360 nan 0.000 0.458 656 N N -0.421 118.269 118.700 -0.018 0.000 2.135 656 N HA -0.121 4.620 4.740 0.002 0.000 0.186 656 N C 1.612 177.097 175.510 -0.041 0.000 1.027 656 N CA 0.489 53.577 53.050 0.063 0.000 0.849 656 N CB -0.048 38.571 38.487 0.220 0.000 1.002 656 N HN 0.070 nan 8.380 nan 0.000 0.425 657 L N 1.203 122.272 121.223 -0.257 0.000 2.450 657 L HA 0.053 4.394 4.340 0.002 0.000 0.224 657 L C -0.102 176.595 176.870 -0.288 0.000 1.149 657 L CA 1.196 55.787 54.840 -0.415 0.000 0.816 657 L CB -0.697 40.957 42.059 -0.676 0.000 0.932 657 L HN 0.066 nan 8.230 nan 0.000 0.449 661 M N 0.893 120.299 119.600 -0.325 0.000 2.435 661 M HA 0.022 4.503 4.480 0.002 0.000 0.262 661 M C 1.949 178.090 176.300 -0.265 0.000 1.065 661 M CA 1.629 56.713 55.300 -0.361 0.000 1.076 661 M CB -1.267 31.142 32.600 -0.319 0.000 1.403 661 M HN 0.569 nan 8.290 nan 0.000 0.454 662 A N -0.235 122.492 122.820 -0.156 0.000 1.943 662 A HA -0.043 4.278 4.320 0.002 0.000 0.213 662 A C 2.005 179.580 177.584 -0.014 0.000 1.181 662 A CA 0.915 52.911 52.037 -0.068 0.000 0.653 662 A CB -0.352 18.631 19.000 -0.028 0.000 0.833 662 A HN 0.379 nan 8.150 nan 0.000 0.451 663 N N -0.157 118.539 118.700 -0.007 0.000 2.270 663 N HA -0.055 4.687 4.740 0.002 0.000 0.181 663 N C 1.386 176.986 175.510 0.150 0.000 1.016 663 N CA 0.758 53.893 53.050 0.142 0.000 0.870 663 N CB -0.235 38.369 38.487 0.195 0.000 0.979 663 N HN 0.275 nan 8.380 nan 0.000 0.431 664 L N 1.470 122.643 121.223 -0.084 0.000 2.141 664 L HA 0.009 4.350 4.340 0.002 0.000 0.209 664 L C 2.167 178.999 176.870 -0.064 0.000 1.094 664 L CA 1.186 55.910 54.840 -0.193 0.000 0.763 664 L CB -0.350 41.326 42.059 -0.639 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.002 119.478 120.500 -0.032 0.000 2.062 665 R HA -0.006 4.336 4.340 0.002 0.000 0.229 665 R C 1.585 177.972 176.300 0.146 0.000 1.128 665 R CA 1.354 57.533 56.100 0.132 0.000 0.960 665 R CB -0.507 29.840 30.300 0.078 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.737 116.509 115.700 0.120 0.000 3.009 666 S HA 0.060 4.532 4.470 0.002 0.000 0.243 666 S C 0.044 174.688 174.600 0.074 0.000 1.012 666 S CA 0.090 58.357 58.200 0.111 0.000 1.113 666 S CB 0.028 63.316 63.200 0.148 0.000 0.827 666 S HN 0.089 nan 8.310 nan 0.000 0.495 667 T N 1.200 115.807 114.554 0.087 0.000 2.906 667 T HA 0.270 4.622 4.350 0.002 0.000 0.295 667 T C -0.920 173.830 174.700 0.083 0.000 1.061 667 T CA -0.663 61.461 62.100 0.041 0.000 1.000 667 T CB 1.427 70.350 68.868 0.091 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.900 122.892 119.070 -0.129 0.000 2.872 668 H HA 0.281 4.838 4.556 0.002 0.000 0.273 668 H C -2.355 172.726 175.328 -0.411 0.000 1.205 668 H CA -2.549 53.351 56.048 -0.247 0.000 1.342 668 H CB 0.546 30.141 29.762 -0.279 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 -0.881 175.795 177.300 -1.039 0.000 1.205 669 P CA 0.497 63.198 63.100 -0.664 0.000 0.765 669 P CB 0.652 31.864 31.700 -0.812 0.000 0.828 670 H N 2.862 121.556 119.070 -0.626 0.000 2.658 670 H HA 0.341 4.898 4.556 0.002 0.000 0.337 670 H C -0.476 174.648 175.328 -0.340 0.000 1.009 670 H CA -0.303 55.510 56.048 -0.392 0.000 1.231 670 H CB 0.626 30.246 29.762 -0.237 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.903 121.979 119.950 0.209 0.000 2.421 671 F HA 0.418 4.946 4.527 0.002 0.000 0.337 671 F C 0.307 176.272 175.800 0.275 0.000 1.105 671 F CA -0.772 57.390 58.000 0.270 0.000 1.049 671 F CB 1.593 40.829 39.000 0.392 0.000 1.139 671 F HN 0.090 nan 8.300 nan 0.000 0.479 672 V N 3.971 124.117 119.914 0.387 0.000 2.524 672 V HA 0.519 4.640 4.120 0.002 0.000 0.297 672 V C -0.734 175.444 176.094 0.141 0.000 1.035 672 V CA -0.897 61.543 62.300 0.233 0.000 0.867 672 V CB 1.663 33.565 31.823 0.131 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.545 123.077 120.500 0.054 0.000 2.288 673 R HA 0.555 4.896 4.340 0.002 0.000 0.326 673 R C -0.793 175.480 176.300 -0.045 0.000 0.959 673 R CA -0.685 55.366 56.100 -0.082 0.000 0.834 673 R CB 1.128 31.233 30.300 -0.324 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.353 123.636 119.300 -0.029 0.000 2.369 674 C HA 0.575 5.036 4.460 0.002 0.000 0.358 674 C C 0.748 175.701 174.990 -0.061 0.000 1.274 674 C CA -0.611 58.392 59.018 -0.024 0.000 1.935 674 C CB -0.249 27.493 27.740 0.003 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.217 123.732 120.570 -0.092 0.000 2.740 675 I HA 0.518 4.689 4.170 0.002 0.000 0.303 675 I C -0.260 175.770 176.117 -0.146 0.000 1.044 675 I CA -0.312 60.914 61.300 -0.122 0.000 1.064 675 I CB 1.474 39.378 38.000 -0.161 0.000 1.249 675 I HN 0.576 nan 8.210 nan 0.000 0.433 676 I N 7.495 127.998 120.570 -0.111 0.000 2.420 676 I HA 0.361 4.533 4.170 0.002 0.000 0.282 676 I C -1.917 174.160 176.117 -0.067 0.000 1.019 676 I CA -2.351 58.904 61.300 -0.077 0.000 1.130 676 I CB 2.066 40.074 38.000 0.014 0.000 1.262 676 I HN 0.378 nan 8.210 nan 0.000 0.454 677 P HA -0.106 nan 4.420 nan 0.000 0.211 677 P C -0.822 176.503 177.300 0.041 0.000 1.179 677 P CA 1.301 64.346 63.100 -0.091 0.000 0.910 677 P CB -0.072 31.580 31.700 -0.080 0.000 0.785 678 N N -2.433 116.362 118.700 0.159 0.000 2.287 678 N HA 0.193 4.934 4.740 0.002 0.000 0.289 678 N C 0.166 175.740 175.510 0.107 0.000 1.066 678 N CA -0.781 52.337 53.050 0.113 0.000 0.841 678 N CB 1.041 39.595 38.487 0.110 0.000 1.599 678 N HN -0.186 nan 8.380 nan 0.000 0.476 679 E N -0.117 120.112 120.200 0.049 0.000 2.219 679 E HA -0.171 4.181 4.350 0.002 0.000 0.198 679 E C 0.574 177.165 176.600 -0.014 0.000 0.998 679 E CA 1.623 58.037 56.400 0.023 0.000 0.818 679 E CB -0.102 29.602 29.700 0.006 0.000 0.741 679 E HN 0.837 nan 8.360 nan 0.000 0.477 683 P HA 0.402 nan 4.420 nan 0.000 0.272 683 P C 1.098 178.545 177.300 0.244 0.000 1.230 683 P CA 0.654 63.989 63.100 0.392 0.000 0.788 683 P CB 0.277 32.195 31.700 0.364 0.000 0.949 684 G N -0.397 108.360 108.800 -0.071 0.000 2.187 684 G HA2 -0.055 3.907 3.960 0.002 0.000 0.261 684 G HA3 -0.055 3.907 3.960 0.002 0.000 0.261 684 G C 0.263 175.029 174.900 -0.224 0.000 1.000 684 G CA 0.365 45.081 45.100 -0.640 0.000 0.718 684 G HN 0.900 nan 8.290 nan 0.000 0.519 685 A N -1.240 121.712 122.820 0.221 0.000 2.430 685 A HA 0.990 5.311 4.320 0.002 0.000 0.300 685 A C -0.448 177.325 177.584 0.314 0.000 1.124 685 A CA -0.058 52.120 52.037 0.236 0.000 0.766 685 A CB 1.862 20.944 19.000 0.137 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.110 120.796 119.600 0.142 0.000 2.255 686 M HA 0.328 4.809 4.480 0.002 0.000 0.275 686 M C -1.509 174.807 176.300 0.026 0.000 1.050 686 M CA 0.084 55.425 55.300 0.069 0.000 0.978 686 M CB 1.714 34.351 32.600 0.062 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.100 123.306 120.200 0.009 0.000 2.331 687 E HA 0.202 4.553 4.350 0.002 0.000 0.272 687 E C -0.029 176.608 176.600 0.062 0.000 1.036 687 E CA -0.349 56.032 56.400 -0.031 0.000 0.864 687 E CB 0.973 30.654 29.700 -0.031 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.945 120.971 119.070 -0.073 0.000 2.312 688 H HA -0.155 4.402 4.556 0.002 0.000 0.299 688 H C 1.948 177.249 175.328 -0.045 0.000 1.051 688 H CA 0.981 56.976 56.048 -0.089 0.000 1.227 688 H CB 0.192 29.900 29.762 -0.090 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.332 121.622 120.200 0.149 0.000 2.273 689 E HA -0.205 4.146 4.350 0.002 0.000 0.198 689 E C 2.204 178.895 176.600 0.151 0.000 1.002 689 E CA 0.879 57.352 56.400 0.121 0.000 0.828 689 E CB -0.114 29.644 29.700 0.096 0.000 0.747 689 E HN 0.378 nan 8.360 nan 0.000 0.491 690 L N 0.066 121.337 121.223 0.081 0.000 2.044 690 L HA -0.128 4.213 4.340 0.002 0.000 0.205 690 L C 2.316 179.219 176.870 0.054 0.000 1.075 690 L CA 1.053 55.921 54.840 0.047 0.000 0.747 690 L CB -0.127 41.937 42.059 0.007 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.012 119.938 119.914 0.020 0.000 2.427 691 V HA -0.258 3.863 4.120 0.002 0.000 0.248 691 V C 2.553 178.632 176.094 -0.024 0.000 1.051 691 V CA 1.767 64.049 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 0.424 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 4.079 4.340 0.002 0.000 0.212 692 L C 2.585 179.420 176.870 -0.057 0.000 1.073 692 L CA 2.006 56.828 54.840 -0.028 0.000 0.753 692 L CB -0.686 41.375 42.059 0.002 0.000 0.890 692 L HN 0.389 nan 8.230 nan 0.000 0.432 693 H N -0.094 118.950 119.070 -0.043 0.000 2.251 693 H HA -0.236 4.321 4.556 0.002 0.000 0.294 693 H C 2.422 177.714 175.328 -0.060 0.000 1.078 693 H CA 2.230 58.251 56.048 -0.045 0.000 1.246 693 H CB -0.122 29.616 29.762 -0.038 0.000 1.358 693 H HN 0.349 nan 8.280 nan 0.000 0.488 694 Q N -0.341 119.509 119.800 0.084 0.000 2.133 694 Q HA -0.193 4.148 4.340 0.002 0.000 0.208 694 Q C 2.262 178.217 176.000 -0.074 0.000 0.991 694 Q CA 1.505 57.307 55.803 -0.001 0.000 0.867 694 Q CB -0.356 28.366 28.738 -0.027 0.000 0.911 694 Q HN 0.319 nan 8.270 nan 0.000 0.417 695 L N 0.931 122.098 121.223 -0.094 0.000 2.127 695 L HA -0.191 4.150 4.340 0.002 0.000 0.211 695 L C 2.402 179.192 176.870 -0.134 0.000 1.089 695 L CA 1.763 56.523 54.840 -0.133 0.000 0.757 695 L CB -0.421 41.565 42.059 -0.122 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.085 118.342 120.500 -0.121 0.000 2.075 696 R HA -0.028 4.313 4.340 0.002 0.000 0.226 696 R C 2.135 178.396 176.300 -0.064 0.000 1.114 696 R CA 1.497 57.532 56.100 -0.108 0.000 0.972 696 R CB -0.856 29.350 30.300 -0.157 0.000 0.869 696 R HN 0.327 nan 8.270 nan 0.000 0.437 697 C N 0.676 119.930 119.300 -0.076 0.000 2.539 697 C HA 0.104 4.565 4.460 0.002 0.000 0.268 697 C C 1.962 176.957 174.990 0.009 0.000 1.395 697 C CA 0.032 59.022 59.018 -0.047 0.000 1.757 697 C CB -1.449 26.283 27.740 -0.013 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.213 118.853 118.700 -0.100 0.000 2.173 698 N HA 0.104 4.845 4.740 0.002 0.000 0.184 698 N C 1.668 176.958 175.510 -0.366 0.000 1.025 698 N CA 1.291 54.204 53.050 -0.229 0.000 0.852 698 N CB 0.026 38.300 38.487 -0.356 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.730 107.857 108.800 -0.354 0.000 2.255 699 G HA2 -0.216 3.746 3.960 0.002 0.000 0.196 699 G HA3 -0.216 3.746 3.960 0.002 0.000 0.196 699 G C 0.854 175.599 174.900 -0.258 0.000 0.998 699 G CA 0.172 45.035 45.100 -0.395 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.755 120.430 119.914 -0.399 0.000 2.287 700 V HA -0.113 4.008 4.120 0.002 0.000 0.248 700 V C 2.696 178.793 176.094 0.006 0.000 1.053 700 V CA 2.319 64.532 62.300 -0.145 0.000 1.027 700 V CB -0.307 31.357 31.823 -0.266 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.672 120.509 121.223 -0.070 0.000 2.376 701 L HA -0.011 4.330 4.340 0.002 0.000 0.219 701 L C 2.257 179.108 176.870 -0.031 0.000 1.133 701 L CA 1.533 56.342 54.840 -0.051 0.000 0.816 701 L CB -0.789 41.228 42.059 -0.071 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.126 119.058 120.200 -0.027 0.000 2.318 702 E HA 0.009 4.360 4.350 0.002 0.000 0.193 702 E C 1.961 178.568 176.600 0.012 0.000 0.998 702 E CA 0.692 57.078 56.400 -0.022 0.000 0.859 702 E CB 0.241 29.904 29.700 -0.061 0.000 0.812 702 E HN 0.482 nan 8.360 nan 0.000 0.492 703 G N 0.729 109.590 108.800 0.101 0.000 2.464 703 G HA2 -0.149 3.812 3.960 0.002 0.000 0.217 703 G HA3 -0.149 3.812 3.960 0.002 0.000 0.217 703 G C 1.483 176.381 174.900 -0.003 0.000 1.138 703 G CA 0.040 45.217 45.100 0.128 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.324 120.894 120.570 0.001 0.000 2.286 704 I HA 0.115 4.287 4.170 0.002 0.000 0.245 704 I C 2.695 178.763 176.117 -0.081 0.000 1.104 704 I CA 0.510 61.785 61.300 -0.042 0.000 1.397 704 I CB -0.331 37.648 38.000 -0.035 0.000 1.072 704 I HN -0.029 nan 8.210 nan 0.000 0.417 705 R N 0.440 120.896 120.500 -0.074 0.000 2.103 705 R HA -0.135 4.207 4.340 0.002 0.000 0.234 705 R C 2.262 178.482 176.300 -0.133 0.000 1.132 705 R CA 1.842 57.893 56.100 -0.083 0.000 0.925 705 R CB -0.613 29.652 30.300 -0.058 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.320 120.120 120.570 -0.217 0.000 2.423 706 I HA -0.382 3.789 4.170 0.002 0.000 0.254 706 I C 2.185 178.101 176.117 -0.336 0.000 1.151 706 I CA 0.824 61.864 61.300 -0.434 0.000 1.421 706 I CB -0.221 37.360 38.000 -0.698 0.000 1.079 706 I HN 0.370 nan 8.210 nan 0.000 0.431 707 C N 0.580 119.749 119.300 -0.219 0.000 2.500 707 C HA -0.109 4.352 4.460 0.002 0.000 0.279 707 C C 2.814 177.719 174.990 -0.143 0.000 1.288 707 C CA 0.675 59.594 59.018 -0.164 0.000 1.710 707 C CB -0.885 26.780 27.740 -0.126 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.676 121.092 120.500 -0.140 0.000 2.369 708 R HA -0.025 4.316 4.340 0.002 0.000 0.200 708 R C 1.437 177.646 176.300 -0.151 0.000 1.046 708 R CA 1.174 57.185 56.100 -0.147 0.000 1.057 708 R CB -0.273 29.947 30.300 -0.134 0.000 0.888 708 R HN 0.501 nan 8.270 nan 0.000 0.474 709 K N -0.382 119.943 120.400 -0.125 0.000 2.313 709 K HA 0.154 4.476 4.320 0.002 0.000 0.197 709 K C 1.228 177.759 176.600 -0.114 0.000 1.061 709 K CA 0.542 56.796 56.287 -0.056 0.000 0.980 709 K CB 0.641 33.180 32.500 0.064 0.000 0.888 709 K HN 0.311 nan 8.250 nan 0.000 0.502 710 G N 0.438 109.140 108.800 -0.163 0.000 3.229 710 G HA2 0.174 4.135 3.960 0.002 0.000 0.165 710 G HA3 0.174 4.135 3.960 0.002 0.000 0.165 710 G C -0.636 173.795 174.900 -0.781 0.000 1.753 710 G CA -0.367 44.495 45.100 -0.398 0.000 1.054 710 G HN 0.054 nan 8.290 nan 0.000 0.544 711 F N 1.774 121.609 119.950 -0.192 0.000 2.363 711 F HA 0.374 4.902 4.527 0.002 0.000 0.366 711 F C -1.533 174.299 175.800 0.052 0.000 1.083 711 F CA -1.677 56.277 58.000 -0.075 0.000 1.176 711 F CB 2.047 41.035 39.000 -0.019 0.000 1.432 711 F HN 0.116 nan 8.300 nan 0.000 0.482 712 P HA -0.135 nan 4.420 nan 0.000 0.203 712 P C 0.107 177.406 177.300 -0.002 0.000 0.967 712 P CA 0.976 64.072 63.100 -0.007 0.000 0.946 712 P CB -0.271 31.381 31.700 -0.078 0.000 0.690 713 S N 1.279 116.970 115.700 -0.015 0.000 2.544 713 S HA 0.129 4.600 4.470 0.002 0.000 0.290 713 S C 0.340 174.918 174.600 -0.036 0.000 1.276 713 S CA -0.236 57.950 58.200 -0.023 0.000 1.075 713 S CB -0.513 62.676 63.200 -0.018 0.000 0.849 713 S HN 0.181 nan 8.310 nan 0.000 0.494 714 R N 1.346 121.744 120.500 -0.170 0.000 2.473 714 R HA 0.526 4.867 4.340 0.002 0.000 0.303 714 R C -1.674 174.474 176.300 -0.252 0.000 1.002 714 R CA -0.822 55.025 56.100 -0.423 0.000 0.884 714 R CB 0.789 30.515 30.300 -0.957 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.479 124.304 119.914 -0.150 0.000 2.465 715 V HA 0.220 4.341 4.120 0.002 0.000 0.279 715 V C 0.370 176.349 176.094 -0.191 0.000 1.045 715 V CA -0.838 61.437 62.300 -0.041 0.000 0.938 715 V CB 1.501 33.452 31.823 0.213 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.457 125.638 121.223 -0.070 0.000 2.380 716 L HA 0.257 4.598 4.340 0.002 0.000 0.273 716 L C 0.866 177.786 176.870 0.083 0.000 1.138 716 L CA 0.235 55.042 54.840 -0.054 0.000 0.832 716 L CB 0.573 42.647 42.059 0.025 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.314 123.691 120.300 0.129 0.000 2.062 717 Y HA -0.379 4.172 4.550 0.002 0.000 0.276 717 Y C 2.228 178.268 175.900 0.234 0.000 1.189 717 Y CA 2.103 60.313 58.100 0.183 0.000 1.130 717 Y CB -0.864 37.672 38.460 0.127 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.169 122.844 122.820 0.322 0.000 1.898 718 A HA -0.189 4.132 4.320 0.002 0.000 0.216 718 A C 1.816 179.514 177.584 0.191 0.000 1.181 718 A CA 1.906 54.074 52.037 0.217 0.000 0.620 718 A CB -0.930 18.159 19.000 0.147 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.785 118.726 120.400 0.185 0.000 2.311 719 D HA -0.098 4.543 4.640 0.002 0.000 0.212 719 D C 1.298 177.727 176.300 0.216 0.000 0.972 719 D CA 0.998 55.087 54.000 0.149 0.000 0.887 719 D CB -0.158 40.717 40.800 0.125 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.464 120.514 119.950 0.166 0.000 2.446 720 F HA 0.190 4.719 4.527 0.002 0.000 0.292 720 F C 1.912 177.872 175.800 0.266 0.000 1.096 720 F CA 0.568 58.710 58.000 0.237 0.000 1.438 720 F CB 0.207 39.333 39.000 0.209 0.000 1.107 720 F HN -0.305 nan 8.300 nan 0.000 0.546 721 K N 0.405 120.956 120.400 0.251 0.000 1.963 721 K HA -0.269 4.053 4.320 0.002 0.000 0.216 721 K C 2.170 178.775 176.600 0.008 0.000 1.045 721 K CA 1.894 58.264 56.287 0.139 0.000 0.954 721 K CB -0.529 32.065 32.500 0.158 0.000 0.732 721 K HN 0.297 nan 8.250 nan 0.000 0.442 722 Q N 0.705 120.512 119.800 0.012 0.000 2.045 722 Q HA -0.309 4.032 4.340 0.002 0.000 0.215 722 Q C 2.056 177.975 176.000 -0.135 0.000 1.026 722 Q CA 2.295 58.072 55.803 -0.045 0.000 0.885 722 Q CB -0.226 28.494 28.738 -0.030 0.000 0.984 722 Q HN 0.177 nan 8.270 nan 0.000 0.414 723 R N -1.391 118.983 120.500 -0.209 0.000 2.152 723 R HA -0.126 4.215 4.340 0.002 0.000 0.232 723 R C 0.933 176.802 176.300 -0.718 0.000 1.117 723 R CA 1.603 57.419 56.100 -0.474 0.000 0.981 723 R CB 0.094 30.033 30.300 -0.603 0.000 0.870 723 R HN 0.526 nan 8.270 nan 0.000 0.451 724 Y N -1.800 118.300 120.300 -0.333 0.000 2.527 724 Y HA 0.233 4.784 4.550 0.002 0.000 0.247 724 Y C 1.823 177.594 175.900 -0.214 0.000 1.138 724 Y CA -0.509 57.386 58.100 -0.341 0.000 1.228 724 Y CB 0.123 38.215 38.460 -0.614 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.701 121.178 120.500 -0.038 0.000 2.159 725 R HA -0.211 4.130 4.340 0.002 0.000 0.252 725 R C 1.586 177.888 176.300 0.004 0.000 1.144 725 R CA 2.287 58.387 56.100 0.000 0.000 0.961 725 R CB -0.603 29.693 30.300 -0.007 0.000 0.877 725 R HN 0.214 nan 8.270 nan 0.000 0.444 726 V N 1.383 121.282 119.914 -0.025 0.000 2.764 726 V HA -0.257 3.864 4.120 0.002 0.000 0.261 726 V C 2.169 178.263 176.094 0.000 0.000 1.108 726 V CA 1.549 63.835 62.300 -0.023 0.000 1.129 726 V CB -0.483 31.307 31.823 -0.056 0.000 0.701 726 V HN 0.332 nan 8.190 nan 0.000 0.495 727 L N -0.586 120.650 121.223 0.022 0.000 2.217 727 L HA 0.018 4.359 4.340 0.002 0.000 0.211 727 L C 1.659 178.554 176.870 0.041 0.000 1.107 727 L CA 1.520 56.384 54.840 0.039 0.000 0.783 727 L CB -0.136 41.963 42.059 0.066 0.000 0.919 727 L HN 0.402 nan 8.230 nan 0.000 0.442 728 N N -1.535 117.191 118.700 0.044 0.000 2.393 728 N HA 0.095 4.836 4.740 0.002 0.000 0.256 728 N C 1.091 176.627 175.510 0.043 0.000 1.449 728 N CA 0.562 53.640 53.050 0.047 0.000 0.887 728 N CB 0.618 39.142 38.487 0.063 0.000 1.374 728 N HN 0.081 nan 8.380 nan 0.000 0.503 729 A N 0.515 123.354 122.820 0.032 0.000 2.195 729 A HA -0.289 4.033 4.320 0.002 0.000 0.225 729 A C 2.097 179.698 177.584 0.028 0.000 1.176 729 A CA 2.519 54.572 52.037 0.027 0.000 0.681 729 A CB -0.615 18.392 19.000 0.012 0.000 0.817 729 A HN 0.528 nan 8.150 nan 0.000 0.487 730 S N -0.901 114.816 115.700 0.029 0.000 2.496 730 S HA 0.486 4.957 4.470 0.002 0.000 0.224 730 S C 1.147 175.767 174.600 0.032 0.000 0.996 730 S CA 0.603 58.819 58.200 0.027 0.000 0.927 730 S CB -0.662 62.551 63.200 0.023 0.000 0.774 730 S HN 1.122 nan 8.310 nan 0.000 0.524 739 D N -0.710 119.682 120.400 -0.014 0.000 2.198 739 D HA 0.498 5.139 4.640 0.002 0.000 0.247 739 D C 0.208 176.492 176.300 -0.027 0.000 1.010 739 D CA 0.234 54.216 54.000 -0.029 0.000 0.880 739 D CB 1.998 42.763 40.800 -0.057 0.000 1.209 739 D HN 0.493 nan 8.370 nan 0.000 0.451 740 S N 2.477 118.165 115.700 -0.019 0.000 2.447 740 S HA -0.129 4.342 4.470 0.002 0.000 0.233 740 S C 1.439 175.986 174.600 -0.088 0.000 1.006 740 S CA 1.609 59.817 58.200 0.013 0.000 0.957 740 S CB -0.096 63.137 63.200 0.055 0.000 0.773 740 S HN 0.545 nan 8.310 nan 0.000 0.507 741 K N 0.705 120.947 120.400 -0.263 0.000 2.159 741 K HA 0.197 4.518 4.320 0.002 0.000 0.210 741 K C 2.181 178.481 176.600 -0.500 0.000 1.026 741 K CA 0.371 56.222 56.287 -0.727 0.000 0.959 741 K CB -0.553 31.538 32.500 -0.682 0.000 0.890 741 K HN 0.088 nan 8.250 nan 0.000 0.459 742 K N 0.564 120.803 120.400 -0.269 0.000 2.242 742 K HA -0.214 4.108 4.320 0.002 0.000 0.206 742 K C 1.809 178.360 176.600 -0.083 0.000 1.045 742 K CA 1.339 57.527 56.287 -0.165 0.000 0.930 742 K CB -0.242 32.191 32.500 -0.111 0.000 0.726 742 K HN 0.362 nan 8.250 nan 0.000 0.462 743 A N 0.793 123.583 122.820 -0.050 0.000 1.834 743 A HA -0.185 4.137 4.320 0.002 0.000 0.216 743 A C 2.133 179.799 177.584 0.136 0.000 1.203 743 A CA 2.286 54.351 52.037 0.046 0.000 0.621 743 A CB -1.018 18.023 19.000 0.068 0.000 0.841 743 A HN 0.423 nan 8.150 nan 0.000 0.446 744 S N 0.014 115.844 115.700 0.217 0.000 2.407 744 S HA -0.233 4.238 4.470 0.002 0.000 0.235 744 S C 1.832 176.648 174.600 0.359 0.000 1.036 744 S CA 1.479 59.931 58.200 0.420 0.000 1.013 744 S CB -0.432 63.110 63.200 0.571 0.000 0.820 744 S HN 0.583 nan 8.310 nan 0.000 0.476 745 E N 1.245 121.588 120.200 0.237 0.000 2.001 745 E HA -0.167 4.184 4.350 0.002 0.000 0.195 745 E C 2.178 178.878 176.600 0.167 0.000 1.002 745 E CA 1.206 57.708 56.400 0.168 0.000 0.819 745 E CB -0.258 29.352 29.700 -0.149 0.000 0.769 745 E HN 0.283 nan 8.360 nan 0.000 0.454 746 K N 0.958 121.410 120.400 0.087 0.000 2.089 746 K HA -0.173 4.149 4.320 0.002 0.000 0.210 746 K C 2.272 178.959 176.600 0.144 0.000 1.048 746 K CA 1.025 57.367 56.287 0.091 0.000 0.926 746 K CB -0.595 31.939 32.500 0.056 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.109 121.443 121.223 0.185 0.000 1.990 747 L HA -0.215 4.126 4.340 0.002 0.000 0.213 747 L C 1.760 178.745 176.870 0.192 0.000 1.072 747 L CA 1.390 56.349 54.840 0.197 0.000 0.755 747 L CB -0.235 41.980 42.059 0.260 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.056 121.408 121.223 0.216 0.000 2.651 748 L HA -0.151 4.190 4.340 0.002 0.000 0.236 748 L C 2.366 179.363 176.870 0.211 0.000 1.173 748 L CA 1.054 55.966 54.840 0.121 0.000 0.843 748 L CB -1.167 40.862 42.059 -0.050 0.000 0.964 748 L HN 0.364 nan 8.230 nan 0.000 0.454 749 G N -0.386 108.560 108.800 0.243 0.000 2.513 749 G HA2 -0.176 3.785 3.960 0.002 0.000 0.219 749 G HA3 -0.176 3.785 3.960 0.002 0.000 0.219 749 G C 0.969 176.040 174.900 0.286 0.000 1.160 749 G CA 0.723 45.978 45.100 0.258 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.672 107.246 108.800 0.198 0.000 2.547 750 G HA2 0.620 4.581 3.960 0.002 0.000 0.291 750 G HA3 0.620 4.581 3.960 0.002 0.000 0.291 750 G C 0.179 175.180 174.900 0.169 0.000 1.211 750 G CA 0.206 45.409 45.100 0.172 0.000 0.950 750 G HN 1.475 nan 8.290 nan 0.000 0.504 751 G N -0.678 108.210 108.800 0.148 0.000 2.770 751 G HA2 0.165 4.126 3.960 0.002 0.000 0.686 751 G HA3 0.165 4.126 3.960 0.002 0.000 0.686 751 G C -0.254 174.752 174.900 0.176 0.000 1.180 751 G CA 0.212 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 -0.085 120.393 120.400 0.131 0.000 2.870 752 D HA 0.339 4.980 4.640 0.002 0.000 0.241 752 D C 1.082 177.473 176.300 0.152 0.000 1.234 752 D CA 0.301 54.386 54.000 0.142 0.000 0.844 752 D CB -0.037 40.821 40.800 0.096 0.000 1.051 752 D HN 0.751 nan 8.370 nan 0.000 0.469 753 V N -1.792 118.228 119.914 0.178 0.000 2.644 753 V HA 0.291 4.413 4.120 0.002 0.000 0.295 753 V C 0.736 176.984 176.094 0.256 0.000 1.053 753 V CA -1.126 61.257 62.300 0.139 0.000 0.987 753 V CB 1.459 33.286 31.823 0.007 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.657 122.190 120.400 0.223 0.000 2.349 754 D HA 0.056 4.698 4.640 0.002 0.000 0.266 754 D C 0.472 176.973 176.300 0.335 0.000 1.293 754 D CA 0.223 54.375 54.000 0.253 0.000 0.926 754 D CB 0.469 41.367 40.800 0.163 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.076 120.257 119.070 0.185 0.000 2.562 755 H HA 0.011 4.568 4.556 0.002 0.000 0.274 755 H C 1.478 176.531 175.328 -0.458 0.000 1.038 755 H CA 0.414 56.490 56.048 0.047 0.000 1.161 755 H CB 0.335 30.187 29.762 0.150 0.000 1.318 755 H HN 0.259 nan 8.280 nan 0.000 0.617 756 T N -0.228 114.240 114.554 -0.143 0.000 2.914 756 T HA -0.092 4.259 4.350 0.002 0.000 0.240 756 T C 1.791 176.403 174.700 -0.148 0.000 1.025 756 T CA 0.246 62.262 62.100 -0.139 0.000 1.198 756 T CB 0.034 68.906 68.868 0.006 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.212 121.036 119.800 0.040 0.000 2.480 757 Q HA -0.144 4.197 4.340 0.002 0.000 0.217 757 Q C 0.262 176.426 176.000 0.272 0.000 0.993 757 Q CA 1.293 57.210 55.803 0.190 0.000 0.908 757 Q CB -0.868 28.001 28.738 0.218 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.468 117.759 120.300 -0.123 0.000 2.686 758 Y HA 0.805 5.356 4.550 0.002 0.000 0.330 758 Y C -0.558 174.930 175.900 -0.686 0.000 1.082 758 Y CA -2.007 55.778 58.100 -0.525 0.000 1.158 758 Y CB 1.045 38.915 38.460 -0.982 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.764 123.117 122.820 -0.778 0.000 2.565 759 A HA 0.646 4.967 4.320 0.002 0.000 0.298 759 A C -2.089 175.188 177.584 -0.512 0.000 1.062 759 A CA -0.791 50.852 52.037 -0.657 0.000 0.723 759 A CB 0.146 18.655 19.000 -0.818 0.000 1.282 759 A HN 0.562 nan 8.150 nan 0.000 0.400 760 F N 0.976 120.812 119.950 -0.190 0.000 2.450 760 F HA 0.889 5.418 4.527 0.002 0.000 0.328 760 F C 1.093 176.882 175.800 -0.018 0.000 1.068 760 F CA -0.032 57.943 58.000 -0.042 0.000 1.007 760 F CB 2.085 41.132 39.000 0.077 0.000 1.251 760 F HN 0.970 nan 8.300 nan 0.000 0.492 761 G N -1.580 107.418 108.800 0.330 0.000 2.601 761 G HA2 0.284 4.245 3.960 0.002 0.000 0.291 761 G HA3 0.284 4.245 3.960 0.002 0.000 0.291 761 G C -0.346 174.758 174.900 0.340 0.000 1.456 761 G CA -0.687 44.532 45.100 0.199 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.784 118.402 119.070 0.193 0.000 2.456 762 H HA -0.161 4.396 4.556 0.002 0.000 0.288 762 H C 1.173 176.647 175.328 0.244 0.000 1.130 762 H CA 1.557 57.715 56.048 0.182 0.000 1.173 762 H CB -0.237 29.586 29.762 0.102 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.687 122.207 119.950 -0.716 0.000 2.480 766 F HA 0.906 5.434 4.527 0.002 0.000 0.329 766 F C -0.276 175.185 175.800 -0.566 0.000 1.091 766 F CA -0.589 57.115 58.000 -0.494 0.000 0.972 766 F CB 1.709 40.407 39.000 -0.504 0.000 1.150 766 F HN 0.311 nan 8.300 nan 0.000 0.467 770 G N -1.048 107.472 108.800 -0.467 0.000 2.280 770 G HA2 -0.204 3.757 3.960 0.002 0.000 0.282 770 G HA3 -0.204 3.757 3.960 0.002 0.000 0.282 770 G C 0.776 175.612 174.900 -0.106 0.000 1.000 770 G CA 1.598 46.433 45.100 -0.441 0.000 0.751 770 G HN 1.700 nan 8.290 nan 0.000 0.515 771 L N -1.201 119.959 121.223 -0.105 0.000 2.185 771 L HA 0.430 4.771 4.340 0.002 0.000 0.198 771 L C 2.600 179.382 176.870 -0.146 0.000 1.079 771 L CA 1.208 56.003 54.840 -0.074 0.000 0.780 771 L CB -0.401 41.649 42.059 -0.016 0.000 0.955 771 L HN 0.148 nan 8.230 nan 0.000 0.462 772 L N 0.361 121.431 121.223 -0.254 0.000 2.129 772 L HA -0.151 4.191 4.340 0.002 0.000 0.212 772 L C 2.383 179.257 176.870 0.007 0.000 1.087 772 L CA 2.008 56.693 54.840 -0.258 0.000 0.757 772 L CB -1.557 40.379 42.059 -0.204 0.000 0.896 772 L HN 0.422 nan 8.230 nan 0.000 0.434 773 G N -1.350 107.500 108.800 0.083 0.000 2.418 773 G HA2 -0.256 3.705 3.960 0.002 0.000 0.217 773 G HA3 -0.256 3.705 3.960 0.002 0.000 0.217 773 G C 1.682 176.669 174.900 0.146 0.000 1.158 773 G CA 0.765 45.990 45.100 0.208 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.266 121.007 121.223 0.084 0.000 2.027 774 L HA 0.044 4.385 4.340 0.002 0.000 0.206 774 L C 2.723 179.624 176.870 0.053 0.000 1.074 774 L CA 0.885 55.765 54.840 0.067 0.000 0.745 774 L CB -0.421 41.659 42.059 0.035 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.538 120.687 121.223 0.004 0.000 1.951 775 L HA -0.297 4.044 4.340 0.002 0.000 0.222 775 L C 2.602 179.591 176.870 0.198 0.000 1.078 775 L CA 1.772 56.636 54.840 0.040 0.000 0.778 775 L CB -1.300 40.625 42.059 -0.223 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.376 119.964 120.200 0.234 0.000 2.136 776 E HA -0.325 4.027 4.350 0.002 0.000 0.208 776 E C 2.107 178.744 176.600 0.063 0.000 1.035 776 E CA 1.747 58.212 56.400 0.107 0.000 0.838 776 E CB -0.321 29.415 29.700 0.060 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.169 120.423 120.200 0.091 0.000 2.049 777 E HA -0.223 4.129 4.350 0.002 0.000 0.198 777 E C 2.229 178.863 176.600 0.057 0.000 1.007 777 E CA 1.604 58.056 56.400 0.086 0.000 0.809 777 E CB -0.165 29.595 29.700 0.100 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.246 119.882 119.600 0.059 0.000 2.108 778 M HA -0.190 4.291 4.480 0.002 0.000 0.261 778 M C 2.714 179.033 176.300 0.031 0.000 1.066 778 M CA 1.773 57.100 55.300 0.046 0.000 1.107 778 M CB -0.384 32.249 32.600 0.056 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.641 121.160 120.500 0.031 0.000 2.083 779 R HA -0.193 4.148 4.340 0.002 0.000 0.237 779 R C 1.549 177.828 176.300 -0.034 0.000 1.137 779 R CA 2.130 58.217 56.100 -0.022 0.000 0.951 779 R CB -0.361 29.882 30.300 -0.094 0.000 0.851 779 R HN 0.281 nan 8.270 nan 0.000 0.434 780 D N 0.868 121.258 120.400 -0.017 0.000 2.126 780 D HA -0.138 4.503 4.640 0.002 0.000 0.190 780 D C 0.273 176.568 176.300 -0.007 0.000 1.001 780 D CA 1.294 55.288 54.000 -0.009 0.000 0.841 780 D CB -0.578 40.239 40.800 0.028 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.211 123.019 122.820 -0.021 0.000 1.883 784 A HA -0.224 4.098 4.320 0.002 0.000 0.217 784 A C 2.041 179.616 177.584 -0.015 0.000 1.186 784 A CA 2.390 54.417 52.037 -0.016 0.000 0.624 784 A CB -0.328 18.665 19.000 -0.012 0.000 0.822 784 A HN 0.395 nan 8.150 nan 0.000 0.444 785 E N 0.018 120.210 120.200 -0.014 0.000 2.007 785 E HA -0.191 4.160 4.350 0.002 0.000 0.203 785 E C 1.838 178.428 176.600 -0.016 0.000 1.020 785 E CA 1.615 58.008 56.400 -0.012 0.000 0.845 785 E CB -0.456 29.238 29.700 -0.010 0.000 0.779 785 E HN 0.581 nan 8.360 nan 0.000 0.466 786 I N 0.285 120.843 120.570 -0.021 0.000 2.185 786 I HA -0.327 3.844 4.170 0.002 0.000 0.246 786 I C 2.363 178.464 176.117 -0.026 0.000 1.088 786 I CA 1.197 62.482 61.300 -0.025 0.000 1.347 786 I CB -0.280 37.700 38.000 -0.033 0.000 1.041 786 I HN 0.207 nan 8.210 nan 0.000 0.415 787 I N -0.094 120.461 120.570 -0.026 0.000 2.188 787 I HA -0.251 3.920 4.170 0.002 0.000 0.237 787 I C 2.522 178.628 176.117 -0.019 0.000 1.073 787 I CA 1.466 62.751 61.300 -0.025 0.000 1.359 787 I CB -0.457 37.528 38.000 -0.025 0.000 1.083 787 I HN 0.180 nan 8.210 nan 0.000 0.412 788 T N 1.199 115.744 114.554 -0.015 0.000 2.684 788 T HA -0.312 4.039 4.350 0.002 0.000 0.267 788 T C 1.819 176.513 174.700 -0.009 0.000 1.032 788 T CA 1.887 63.981 62.100 -0.011 0.000 1.155 788 T CB -0.414 68.449 68.868 -0.009 0.000 0.857 788 T HN 0.531 nan 8.240 nan 0.000 0.457 789 A N 0.555 123.368 122.820 -0.011 0.000 1.929 789 A HA -0.051 4.270 4.320 0.002 0.000 0.216 789 A C 2.527 180.103 177.584 -0.013 0.000 1.176 789 A CA 1.809 53.840 52.037 -0.011 0.000 0.628 789 A CB -0.842 18.151 19.000 -0.012 0.000 0.816 789 A HN 0.474 nan 8.150 nan 0.000 0.444 790 T N -0.096 114.447 114.554 -0.019 0.000 3.055 790 T HA -0.057 4.295 4.350 0.002 0.000 0.265 790 T C 1.948 176.635 174.700 -0.021 0.000 1.111 790 T CA 1.166 63.251 62.100 -0.026 0.000 1.118 790 T CB -0.091 68.757 68.868 -0.033 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.937 120.729 119.800 -0.013 0.000 1.969 791 Q HA 0.006 4.347 4.340 0.002 0.000 0.198 791 Q C 2.837 178.842 176.000 0.007 0.000 0.978 791 Q CA 1.256 57.057 55.803 -0.004 0.000 0.830 791 Q CB -0.438 28.298 28.738 -0.003 0.000 0.896 791 Q HN 0.496 nan 8.270 nan 0.000 0.431 792 A N 1.934 124.758 122.820 0.008 0.000 1.887 792 A HA -0.390 3.931 4.320 0.002 0.000 0.225 792 A C 2.052 179.654 177.584 0.031 0.000 1.464 792 A CA 2.692 54.739 52.037 0.016 0.000 0.717 792 A CB -0.975 18.030 19.000 0.008 0.000 0.848 792 A HN 0.318 nan 8.150 nan 0.000 0.477 793 R N -0.142 120.372 120.500 0.024 0.000 2.112 793 R HA -0.195 4.146 4.340 0.002 0.000 0.242 793 R C 2.077 178.428 176.300 0.085 0.000 1.137 793 R CA 2.568 58.692 56.100 0.039 0.000 0.944 793 R CB -1.757 28.543 30.300 0.001 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.345 119.671 119.300 0.043 0.000 2.359 794 C HA -0.128 4.333 4.460 0.002 0.000 0.277 794 C C 2.626 177.721 174.990 0.175 0.000 1.192 794 C CA 1.362 60.428 59.018 0.079 0.000 1.759 794 C CB -1.112 26.641 27.740 0.021 0.000 2.038 794 C HN 0.545 nan 8.230 nan 0.000 0.448 795 R N 0.602 121.160 120.500 0.097 0.000 2.115 795 R HA -0.151 4.190 4.340 0.002 0.000 0.239 795 R C 2.422 178.774 176.300 0.087 0.000 1.133 795 R CA 2.102 58.248 56.100 0.078 0.000 0.935 795 R CB -1.305 29.021 30.300 0.043 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.134 109.985 108.800 0.086 0.000 2.679 796 G HA2 -0.355 3.606 3.960 0.002 0.000 0.217 796 G HA3 -0.355 3.606 3.960 0.002 0.000 0.217 796 G C 1.254 176.214 174.900 0.099 0.000 1.267 796 G CA 1.021 46.164 45.100 0.073 0.000 0.799 796 G HN 0.389 nan 8.290 nan 0.000 0.606 797 F N 0.712 120.656 119.950 -0.010 0.000 2.176 797 F HA -0.168 4.360 4.527 0.002 0.000 0.301 797 F C 2.308 178.108 175.800 -0.000 0.000 1.071 797 F CA 1.529 59.526 58.000 -0.006 0.000 1.289 797 F CB -0.220 38.777 39.000 -0.006 0.000 1.028 797 F HN 0.089 nan 8.300 nan 0.000 0.494 798 L N -0.069 121.233 121.223 0.132 0.000 2.046 798 L HA -0.222 4.120 4.340 0.002 0.000 0.208 798 L C 2.471 179.262 176.870 -0.131 0.000 1.077 798 L CA 1.858 56.694 54.840 -0.006 0.000 0.747 798 L CB -0.770 41.355 42.059 0.110 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.886 117.671 119.600 -0.071 0.000 2.349 799 M HA -0.148 4.334 4.480 0.002 0.000 0.266 799 M C 2.241 178.486 176.300 -0.091 0.000 1.076 799 M CA 0.892 56.156 55.300 -0.060 0.000 1.126 799 M CB -0.169 32.419 32.600 -0.018 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.357 120.048 120.500 -0.159 0.000 2.200 800 R HA -0.108 4.234 4.340 0.002 0.000 0.234 800 R C 1.679 177.866 176.300 -0.189 0.000 1.127 800 R CA 0.933 56.931 56.100 -0.170 0.000 0.989 800 R CB -0.013 30.178 30.300 -0.182 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.243 119.497 119.914 -0.290 0.000 3.174 801 V HA -0.045 4.076 4.120 0.002 0.000 0.254 801 V C 1.854 177.884 176.094 -0.106 0.000 1.120 801 V CA 0.879 63.035 62.300 -0.239 0.000 1.114 801 V CB 0.103 31.724 31.823 -0.337 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.101 120.053 120.200 -0.077 0.000 2.072 802 E HA -0.170 4.182 4.350 0.002 0.000 0.190 802 E C 1.962 178.571 176.600 0.015 0.000 0.982 802 E CA 1.152 57.533 56.400 -0.031 0.000 0.803 802 E CB -0.309 29.377 29.700 -0.024 0.000 0.755 802 E HN 0.689 nan 8.360 nan 0.000 0.453 803 Y N 1.277 121.524 120.300 -0.088 0.000 2.165 803 Y HA -0.207 4.344 4.550 0.002 0.000 0.286 803 Y C 2.445 178.305 175.900 -0.067 0.000 1.155 803 Y CA 2.030 60.089 58.100 -0.070 0.000 1.164 803 Y CB -0.037 38.386 38.460 -0.061 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.316 120.245 120.500 0.100 0.000 2.200 804 R HA -0.146 4.195 4.340 0.002 0.000 0.234 804 R C 2.123 178.399 176.300 -0.040 0.000 1.127 804 R CA 1.045 57.161 56.100 0.028 0.000 0.989 804 R CB -0.293 30.011 30.300 0.007 0.000 0.869 804 R HN 0.479 nan 8.270 nan 0.000 0.459 805 A N -0.184 122.601 122.820 -0.059 0.000 1.887 805 A HA -0.010 4.312 4.320 0.002 0.000 0.210 805 A C 2.001 179.518 177.584 -0.111 0.000 1.221 805 A CA 0.521 52.514 52.037 -0.073 0.000 0.635 805 A CB -0.253 18.711 19.000 -0.061 0.000 0.881 805 A HN 0.177 nan 8.150 nan 0.000 0.456 806 M N -0.296 119.219 119.600 -0.142 0.000 2.088 806 M HA -0.213 4.268 4.480 0.002 0.000 0.256 806 M C 2.114 178.272 176.300 -0.237 0.000 1.071 806 M CA 1.896 57.079 55.300 -0.195 0.000 1.097 806 M CB -0.731 31.718 32.600 -0.252 0.000 1.315 806 M HN 0.234 nan 8.290 nan 0.000 0.406 807 V N 0.213 119.950 119.914 -0.296 0.000 2.287 807 V HA -0.280 3.841 4.120 0.002 0.000 0.248 807 V C 2.145 178.149 176.094 -0.150 0.000 1.053 807 V CA 2.101 64.241 62.300 -0.266 0.000 1.027 807 V CB -0.694 30.941 31.823 -0.314 0.000 0.646 807 V HN 0.472 nan 8.190 nan 0.000 0.447 808 E N -0.288 119.845 120.200 -0.111 0.000 2.033 808 E HA -0.280 4.072 4.350 0.002 0.000 0.199 808 E C 2.459 179.010 176.600 -0.083 0.000 1.011 808 E CA 1.690 58.046 56.400 -0.073 0.000 0.815 808 E CB -0.232 29.434 29.700 -0.056 0.000 0.755 808 E HN 0.458 nan 8.360 nan 0.000 0.451 809 R N 0.409 120.845 120.500 -0.106 0.000 2.154 809 R HA -0.192 4.149 4.340 0.002 0.000 0.248 809 R C 2.367 178.565 176.300 -0.170 0.000 1.155 809 R CA 0.982 57.008 56.100 -0.124 0.000 0.979 809 R CB -0.277 29.938 30.300 -0.142 0.000 0.869 809 R HN 0.128 nan 8.270 nan 0.000 0.452 810 R N 1.161 121.546 120.500 -0.193 0.000 2.227 810 R HA -0.283 4.058 4.340 0.002 0.000 0.246 810 R C 2.101 178.204 176.300 -0.329 0.000 1.119 810 R CA 2.598 58.541 56.100 -0.263 0.000 0.930 810 R CB -0.351 29.856 30.300 -0.155 0.000 0.912 810 R HN 0.578 nan 8.270 nan 0.000 0.435 811 E N -1.270 118.874 120.200 -0.093 0.000 2.086 811 E HA -0.018 4.333 4.350 0.002 0.000 0.190 811 E C 1.891 178.505 176.600 0.024 0.000 0.975 811 E CA 0.906 57.349 56.400 0.071 0.000 0.813 811 E CB -0.334 29.466 29.700 0.166 0.000 0.768 811 E HN 0.091 nan 8.360 nan 0.000 0.457 812 S N 1.032 116.716 115.700 -0.027 0.000 2.440 812 S HA -0.126 4.345 4.470 0.002 0.000 0.240 812 S C 1.887 176.457 174.600 -0.050 0.000 1.014 812 S CA 1.095 59.281 58.200 -0.022 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 -0.006 120.482 120.570 -0.137 0.000 2.141 813 I HA -0.147 4.024 4.170 0.002 0.000 0.236 813 I C 1.904 177.950 176.117 -0.119 0.000 1.071 813 I CA 1.114 62.307 61.300 -0.179 0.000 1.345 813 I CB -0.577 37.231 38.000 -0.320 0.000 1.066 813 I HN 0.204 nan 8.210 nan 0.000 0.406 814 F N 1.147 121.002 119.950 -0.158 0.000 2.063 814 F HA -0.388 4.141 4.527 0.002 0.000 0.297 814 F C 2.970 178.666 175.800 -0.173 0.000 1.099 814 F CA 1.706 59.541 58.000 -0.274 0.000 1.220 814 F CB -1.495 37.416 39.000 -0.149 0.000 0.972 814 F HN 0.300 nan 8.300 nan 0.000 0.487 815 C N 0.885 120.301 119.300 0.192 0.000 2.393 815 C HA -0.220 4.241 4.460 0.002 0.000 0.276 815 C C 2.908 177.955 174.990 0.096 0.000 1.215 815 C CA 1.294 60.402 59.018 0.149 0.000 1.743 815 C CB -1.332 26.470 27.740 0.103 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.082 120.676 120.570 0.039 0.000 2.202 816 I HA -0.205 3.966 4.170 0.002 0.000 0.242 816 I C 2.714 178.841 176.117 0.016 0.000 1.091 816 I CA 1.707 63.016 61.300 0.016 0.000 1.368 816 I CB -1.338 36.651 38.000 -0.018 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.401 120.180 119.800 -0.034 0.000 1.935 817 Q HA -0.261 4.081 4.340 0.002 0.000 0.212 817 Q C 2.354 178.359 176.000 0.008 0.000 1.008 817 Q CA 2.404 58.158 55.803 -0.082 0.000 0.868 817 Q CB -0.367 28.239 28.738 -0.218 0.000 0.946 817 Q HN 0.370 nan 8.270 nan 0.000 0.418 818 Y N 0.949 121.311 120.300 0.105 0.000 2.081 818 Y HA -0.289 4.263 4.550 0.002 0.000 0.280 818 Y C 2.154 178.095 175.900 0.069 0.000 1.163 818 Y CA 1.107 59.248 58.100 0.069 0.000 1.135 818 Y CB -0.918 37.569 38.460 0.045 0.000 0.970 818 Y HN 0.273 nan 8.280 nan 0.000 0.498 819 N N 0.107 118.948 118.700 0.234 0.000 2.133 819 N HA -0.196 4.545 4.740 0.002 0.000 0.193 819 N C 1.900 177.504 175.510 0.156 0.000 1.012 819 N CA 1.766 54.913 53.050 0.163 0.000 0.871 819 N CB -0.336 38.220 38.487 0.116 0.000 1.011 819 N HN 0.209 nan 8.380 nan 0.000 0.435 820 V N 1.268 121.265 119.914 0.139 0.000 2.283 820 V HA -0.140 3.981 4.120 0.002 0.000 0.243 820 V C 2.419 178.647 176.094 0.223 0.000 1.039 820 V CA 1.229 63.621 62.300 0.152 0.000 1.016 820 V CB -0.355 31.529 31.823 0.102 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.153 120.453 120.500 0.177 0.000 2.134 821 R HA -0.228 4.113 4.340 0.002 0.000 0.248 821 R C 2.593 178.980 176.300 0.146 0.000 1.143 821 R CA 1.957 58.151 56.100 0.157 0.000 0.957 821 R CB -0.706 29.690 30.300 0.161 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.470 116.266 115.700 0.160 0.000 2.427 822 S HA -0.248 4.223 4.470 0.002 0.000 0.231 822 S C 1.545 176.238 174.600 0.155 0.000 1.045 822 S CA 1.828 60.107 58.200 0.131 0.000 1.154 822 S CB -0.541 62.758 63.200 0.165 0.000 1.093 822 S HN 0.382 nan 8.310 nan 0.000 0.422 823 F N 2.038 122.039 119.950 0.084 0.000 2.085 823 F HA -0.239 4.290 4.527 0.002 0.000 0.299 823 F C 2.224 178.070 175.800 0.077 0.000 1.096 823 F CA 1.855 59.918 58.000 0.106 0.000 1.227 823 F CB -0.353 38.708 39.000 0.101 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.156 119.435 119.600 -0.016 0.000 2.346 824 M HA -0.214 4.267 4.480 0.002 0.000 0.263 824 M C 1.462 177.678 176.300 -0.140 0.000 1.064 824 M CA 1.523 56.743 55.300 -0.132 0.000 1.083 824 M CB -1.104 31.526 32.600 0.050 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.466 118.185 118.700 -0.082 0.000 2.368 825 N HA 0.044 4.786 4.740 0.002 0.000 0.178 825 N C 0.656 176.136 175.510 -0.049 0.000 1.021 825 N CA 0.246 53.266 53.050 -0.049 0.000 0.875 825 N CB 0.341 38.797 38.487 -0.052 0.000 1.020 825 N HN -0.005 nan 8.380 nan 0.000 0.433 829 W N 5.985 127.344 121.300 0.098 0.000 2.388 829 W HA 0.298 4.961 4.660 0.005 0.000 0.308 829 W C -1.529 175.025 176.519 0.059 0.000 1.263 829 W CA -2.304 55.091 57.345 0.084 0.000 1.286 829 W CB 0.606 30.114 29.460 0.079 0.000 1.294 829 W HN -0.032 nan 8.180 nan 0.000 0.493 830 P HA -0.318 nan 4.420 nan 0.000 0.221 830 P C 1.183 178.141 177.300 -0.571 0.000 1.160 830 P CA 2.704 65.553 63.100 -0.418 0.000 0.933 830 P CB -0.237 31.114 31.700 -0.582 0.000 0.793 831 W N -1.362 119.416 121.300 -0.870 0.000 2.342 831 W HA -0.058 4.600 4.660 -0.003 0.000 0.297 831 W C 1.911 178.098 176.519 -0.554 0.000 1.213 831 W CA 0.088 56.905 57.345 -0.881 0.000 1.251 831 W CB -0.938 27.514 29.460 -1.681 0.000 1.136 831 W HN -0.003 nan 8.180 nan 0.000 0.526 835 F N 1.615 121.512 119.950 -0.088 0.000 2.147 835 F HA -0.103 4.425 4.527 0.001 0.000 0.301 835 F C 1.076 176.930 175.800 0.090 0.000 1.084 835 F CA 1.087 59.059 58.000 -0.045 0.000 1.268 835 F CB -0.147 38.744 39.000 -0.183 0.000 1.009 835 F HN -0.054 nan 8.300 nan 0.000 0.486 841 L N 0.124 121.333 121.223 -0.023 0.000 2.450 841 L HA -0.078 4.263 4.340 0.002 0.000 0.225 841 L C 0.928 177.795 176.870 -0.005 0.000 1.145 841 L CA 1.257 56.091 54.840 -0.010 0.000 0.801 841 L CB -0.951 41.106 42.059 -0.003 0.000 0.924 841 L HN 0.125 nan 8.230 nan 0.000 0.447 842 L N -0.832 120.384 121.223 -0.010 0.000 2.479 842 L HA 0.283 4.625 4.340 0.002 0.000 0.248 842 L C 0.564 177.436 176.870 0.002 0.000 1.205 842 L CA 0.084 54.925 54.840 0.001 0.000 0.817 842 L CB 0.311 42.370 42.059 0.000 0.000 1.162 842 L HN 0.236 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 4.321 4.320 0.002 0.000 0.191 843 K CA 0.000 56.293 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