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 2w4h_1_M DATA FIRST_RESID 4 DATA SEQUENCE DAEMAAFGEA APYLRKSEKE RIEAQNKPFD AKSSVFVVHP KESFVKGTIQ DATA SEQUENCE SKEGGKVTVK TEGGETLTVK EDQVFSMNPP KYDKIEDMAM MTHLHEPAVL DATA SEQUENCE YNLKERYAAW MIYTYSGLFC VTVNPYKWLP VYNPKVVLAY RGKKRQEAPP DATA SEQUENCE HIFSISDNAY QFMLTDRENQ SILITGESGA GKTVNTKRVI QYFATIAASG DATA SEQUENCE EXXXXXXXXX XXXXLEDQII SANPLLEAFG NAKTVRNDNS SRFGKFIRIH DATA SEQUENCE FGATGKLASA DIETYLLEKS RVTFQLPAER SYHIFYQIMS NKKPELIDML DATA SEQUENCE LITTNPYDYH YVSQGEITVP SIDDQEELMA TDSAIDILGF SADEKTAIYK DATA SEQUENCE LTGAVMHYGN LKFKQKQREE QAEPDGTEVA DKAAYLMGLN SAELLKALCY DATA SEQUENCE PRVKVGNEFV TKGQTVSQVH NSVGALAKAV YEKMFLWMVI RINQQLDTKQ DATA SEQUENCE PRQYFIGVLD IAGFEIFDFN SFEQLCINFT NEKLQQFFNH HMFVLEQEEY DATA SEQUENCE KKEGIEWEFI DFGMDLAACI ELIEKPMGIF SILEEECMFP KATDTSFKNK DATA SEQUENCE LYDQHLGKSN NFQKPKPAXX XAEAHFSLVH YAGTVDYNIS GWLEKNKDPL DATA SEQUENCE NETVIGLYQK SSVKTLALLF ATYXXXXXXX XXXXXXXXXX XXXQTVSALF DATA SEQUENCE RENLNKLMAN LRSTHPHFVR CIIPNETKTP GAMEHELVLH QLRCNGVLEG DATA SEQUENCE IRICRKGFPS RVLYADFKQR YRVLNASAIP EGQFMDSKKA SEKLLGSIDV DATA SEQUENCE DHTQYRFGHT KVFFKAGLLG LLEEMRDDKL AEIITRTQAR CRGFLMRVEY DATA SEQUENCE RRMVERRESI FCIQYNVRSF MNVKHWPWMK LFFKIKPLLK 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 0.000 176.316 176.300 0.027 0.000 2.045 4 D CA 0.000 54.009 54.000 0.016 0.000 0.868 4 D CB 0.000 40.804 40.800 0.007 0.000 0.688 5 A N 1.342 124.175 122.820 0.022 0.000 1.865 5 A HA -0.218 4.103 4.320 0.002 0.000 0.217 5 A C 1.866 179.470 177.584 0.034 0.000 1.191 5 A CA 2.140 54.190 52.037 0.022 0.000 0.623 5 A CB -0.657 18.352 19.000 0.015 0.000 0.826 5 A HN 0.299 nan 8.150 nan 0.000 0.444 6 E N -0.224 120.002 120.200 0.042 0.000 2.021 6 E HA -0.151 4.200 4.350 0.002 0.000 0.200 6 E C 0.349 177.013 176.600 0.108 0.000 1.015 6 E CA 0.912 57.350 56.400 0.064 0.000 0.824 6 E CB -0.326 29.417 29.700 0.071 0.000 0.762 6 E HN 0.558 nan 8.360 nan 0.000 0.454 7 M N 0.080 119.768 119.600 0.146 0.000 2.390 7 M HA 0.044 4.525 4.480 0.002 0.000 0.353 7 M C 0.360 176.761 176.300 0.168 0.000 1.623 7 M CA 0.457 55.909 55.300 0.253 0.000 1.065 7 M CB 0.685 33.383 32.600 0.164 0.000 2.025 7 M HN 0.223 nan 8.290 nan 0.000 0.461 8 A N 3.038 125.955 122.820 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 -0.926 18.083 19.000 0.015 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.249 122.975 122.820 -0.156 0.000 1.896 9 A HA -0.088 4.233 4.320 0.002 0.000 0.220 9 A C 1.902 179.277 177.584 -0.348 0.000 1.206 9 A CA 2.316 54.125 52.037 -0.381 0.000 0.647 9 A CB -1.045 17.514 19.000 -0.736 0.000 0.828 9 A HN 0.723 nan 8.150 nan 0.000 0.455 10 F N -1.143 118.796 119.950 -0.020 0.000 2.094 10 F HA 0.291 4.819 4.527 0.002 0.000 0.291 10 F C 2.499 178.320 175.800 0.034 0.000 1.109 10 F CA 0.818 58.828 58.000 0.017 0.000 1.221 10 F CB -1.225 37.785 39.000 0.016 0.000 1.014 10 F HN 0.474 nan 8.300 nan 0.000 0.473 11 G N 0.471 109.448 108.800 0.295 0.000 3.773 11 G HA2 -0.528 3.433 3.960 0.002 0.000 0.355 11 G HA3 -0.528 3.433 3.960 0.002 0.000 0.355 11 G C 1.270 176.257 174.900 0.145 0.000 1.323 11 G CA 1.282 46.480 45.100 0.163 0.000 1.103 11 G HN 0.334 nan 8.290 nan 0.000 0.716 12 E N 1.048 121.337 120.200 0.149 0.000 2.160 12 E HA 0.200 4.551 4.350 0.002 0.000 0.195 12 E C 2.859 179.580 176.600 0.202 0.000 0.991 12 E CA 1.973 58.467 56.400 0.156 0.000 0.810 12 E CB -0.382 29.416 29.700 0.165 0.000 0.742 12 E HN 0.761 nan 8.360 nan 0.000 0.466 13 A N 0.292 123.262 122.820 0.250 0.000 2.021 13 A HA 0.160 4.481 4.320 0.002 0.000 0.216 13 A C 2.284 179.974 177.584 0.178 0.000 1.163 13 A CA 1.036 53.257 52.037 0.306 0.000 0.676 13 A CB -0.536 18.664 19.000 0.333 0.000 0.818 13 A HN 0.295 nan 8.150 nan 0.000 0.453 14 A N 1.261 124.136 122.820 0.092 0.000 1.916 14 A HA -0.240 4.082 4.320 0.002 0.000 0.224 14 A C 0.253 177.754 177.584 -0.139 0.000 1.366 14 A CA 2.467 54.463 52.037 -0.068 0.000 0.692 14 A CB -2.072 16.924 19.000 -0.007 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 0.524 177.588 177.300 -0.393 0.000 1.144 15 P CA 1.380 64.259 63.100 -0.369 0.000 0.800 15 P CB -0.256 31.121 31.700 -0.539 0.000 0.772 16 Y N -2.436 117.866 120.300 0.003 0.000 2.462 16 Y HA 0.145 4.697 4.550 0.002 0.000 0.261 16 Y C 1.951 177.835 175.900 -0.027 0.000 1.146 16 Y CA 0.029 58.134 58.100 0.008 0.000 1.283 16 Y CB -0.318 38.139 38.460 -0.004 0.000 1.090 16 Y HN -0.166 nan 8.280 nan 0.000 0.526 17 L N -1.001 120.238 121.223 0.027 0.000 2.435 17 L HA 0.296 4.637 4.340 0.002 0.000 0.195 17 L C 0.732 177.554 176.870 -0.080 0.000 1.072 17 L CA 0.775 55.582 54.840 -0.054 0.000 0.833 17 L CB -0.134 41.784 42.059 -0.236 0.000 1.081 17 L HN -0.104 nan 8.230 nan 0.000 0.485 18 R N -1.111 119.316 120.500 -0.122 0.000 2.836 18 R HA 0.448 4.789 4.340 0.002 0.000 0.269 18 R C -0.869 175.383 176.300 -0.080 0.000 1.010 18 R CA -0.859 55.184 56.100 -0.095 0.000 0.930 18 R CB 1.911 32.135 30.300 -0.127 0.000 1.218 18 R HN -0.268 nan 8.270 nan 0.000 0.473 19 K N 0.470 120.838 120.400 -0.053 0.000 2.166 19 K HA 0.246 4.567 4.320 0.002 0.000 0.245 19 K C -0.497 176.079 176.600 -0.040 0.000 0.967 19 K CA -0.420 55.839 56.287 -0.046 0.000 0.863 19 K CB 1.865 34.347 32.500 -0.029 0.000 1.107 19 K HN 0.722 nan 8.250 nan 0.000 0.436 20 S N 0.149 115.828 115.700 -0.036 0.000 2.558 20 S HA -0.051 4.420 4.470 0.002 0.000 0.288 20 S C 0.973 175.561 174.600 -0.020 0.000 1.318 20 S CA 0.126 58.310 58.200 -0.026 0.000 1.056 20 S CB 0.427 63.614 63.200 -0.022 0.000 0.853 20 S HN 0.608 nan 8.310 nan 0.000 0.505 21 E N 1.821 122.012 120.200 -0.016 0.000 2.492 21 E HA -0.175 4.176 4.350 0.002 0.000 0.204 21 E C 1.213 177.805 176.600 -0.014 0.000 1.073 21 E CA 1.287 57.679 56.400 -0.014 0.000 0.887 21 E CB -0.125 29.569 29.700 -0.010 0.000 0.813 21 E HN 0.850 nan 8.360 nan 0.000 0.562 22 K N -2.178 118.214 120.400 -0.014 0.000 2.474 22 K HA 0.170 4.491 4.320 0.002 0.000 0.204 22 K C 1.563 178.155 176.600 -0.013 0.000 1.220 22 K CA -0.126 56.153 56.287 -0.013 0.000 0.966 22 K CB 0.108 32.602 32.500 -0.010 0.000 1.049 22 K HN -0.109 nan 8.250 nan 0.000 0.554 23 E N 1.349 121.541 120.200 -0.014 0.000 2.153 23 E HA -0.069 4.282 4.350 0.002 0.000 0.194 23 E C 1.829 178.421 176.600 -0.014 0.000 0.988 23 E CA 1.118 57.511 56.400 -0.013 0.000 0.811 23 E CB 0.140 29.831 29.700 -0.015 0.000 0.746 23 E HN 0.243 nan 8.360 nan 0.000 0.466 24 R N 0.235 120.725 120.500 -0.017 0.000 2.070 24 R HA -0.066 4.275 4.340 0.002 0.000 0.227 24 R C 2.466 178.751 176.300 -0.025 0.000 1.147 24 R CA 1.250 57.338 56.100 -0.020 0.000 0.924 24 R CB -0.455 29.833 30.300 -0.020 0.000 0.827 24 R HN 0.191 nan 8.270 nan 0.000 0.431 25 I N 1.390 121.946 120.570 -0.024 0.000 2.185 25 I HA -0.309 3.862 4.170 0.002 0.000 0.246 25 I C 1.848 177.951 176.117 -0.024 0.000 1.088 25 I CA 1.638 62.922 61.300 -0.026 0.000 1.347 25 I CB -0.511 37.477 38.000 -0.021 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.397 120.586 120.200 -0.018 0.000 2.418 26 E HA -0.090 4.261 4.350 0.002 0.000 0.197 26 E C 2.052 178.643 176.600 -0.014 0.000 1.026 26 E CA 0.887 57.279 56.400 -0.013 0.000 0.862 26 E CB 0.053 29.748 29.700 -0.008 0.000 0.799 26 E HN 0.542 nan 8.360 nan 0.000 0.518 27 A N 0.712 123.520 122.820 -0.020 0.000 1.973 27 A HA -0.041 4.280 4.320 0.002 0.000 0.210 27 A C 1.947 179.506 177.584 -0.043 0.000 1.200 27 A CA 0.186 52.210 52.037 -0.022 0.000 0.707 27 A CB 0.096 19.085 19.000 -0.017 0.000 0.862 27 A HN 0.055 nan 8.150 nan 0.000 0.461 28 Q N 0.435 120.201 119.800 -0.057 0.000 2.187 28 Q HA 0.026 4.367 4.340 0.002 0.000 0.199 28 Q C -0.273 175.675 176.000 -0.086 0.000 0.957 28 Q CA 0.569 56.315 55.803 -0.094 0.000 0.857 28 Q CB -0.075 28.601 28.738 -0.104 0.000 0.929 28 Q HN 0.489 nan 8.270 nan 0.000 0.453 29 N N 2.369 121.036 118.700 -0.054 0.000 2.949 29 N HA 0.142 4.883 4.740 0.002 0.000 0.243 29 N C -0.847 174.652 175.510 -0.019 0.000 1.113 29 N CA 0.073 53.099 53.050 -0.039 0.000 0.980 29 N CB 0.730 39.197 38.487 -0.034 0.000 1.256 29 N HN 0.245 nan 8.380 nan 0.000 0.508 30 K N -0.550 119.845 120.400 -0.008 0.000 2.533 30 K HA 0.628 4.949 4.320 0.002 0.000 0.272 30 K C -3.050 173.581 176.600 0.052 0.000 0.985 30 K CA -1.364 54.934 56.287 0.017 0.000 0.876 30 K CB 0.910 33.422 32.500 0.020 0.000 1.452 30 K HN -0.153 nan 8.250 nan 0.000 0.439 31 P HA 0.185 nan 4.420 nan 0.000 0.268 31 P C -1.526 175.875 177.300 0.168 0.000 1.204 31 P CA 0.079 63.224 63.100 0.076 0.000 0.768 31 P CB 0.080 31.799 31.700 0.032 0.000 0.842 32 F N 1.607 121.535 119.950 -0.038 0.000 2.574 32 F HA 0.253 4.781 4.527 0.002 0.000 0.313 32 F C -0.803 174.972 175.800 -0.041 0.000 1.130 32 F CA -0.798 57.176 58.000 -0.044 0.000 0.936 32 F CB 1.977 40.950 39.000 -0.044 0.000 1.219 32 F HN 0.153 nan 8.300 nan 0.000 0.445 33 D N 4.722 124.707 120.400 -0.691 0.000 2.479 33 D HA 0.414 5.055 4.640 0.002 0.000 0.247 33 D C 0.830 176.780 176.300 -0.583 0.000 1.119 33 D CA 0.298 54.024 54.000 -0.458 0.000 0.922 33 D CB 1.712 42.336 40.800 -0.293 0.000 1.014 33 D HN 0.725 nan 8.370 nan 0.000 0.510 34 A N 4.201 126.821 122.820 -0.333 0.000 1.859 34 A HA -0.258 4.063 4.320 0.002 0.000 0.218 34 A C 1.897 179.409 177.584 -0.119 0.000 1.209 34 A CA 1.433 53.395 52.037 -0.126 0.000 0.639 34 A CB -0.291 18.776 19.000 0.111 0.000 0.835 34 A HN 0.546 nan 8.150 nan 0.000 0.450 35 K N 0.161 120.513 120.400 -0.079 0.000 2.362 35 K HA -0.142 4.179 4.320 0.002 0.000 0.202 35 K C 1.847 178.395 176.600 -0.087 0.000 1.045 35 K CA 1.638 57.891 56.287 -0.057 0.000 0.936 35 K CB -0.283 32.193 32.500 -0.040 0.000 0.747 35 K HN 0.694 nan 8.250 nan 0.000 0.467 36 S N -0.088 115.523 115.700 -0.149 0.000 2.665 36 S HA 0.022 4.493 4.470 0.002 0.000 0.240 36 S C 0.767 175.257 174.600 -0.183 0.000 1.081 36 S CA -0.562 57.551 58.200 -0.146 0.000 0.887 36 S CB 0.127 63.243 63.200 -0.139 0.000 0.805 36 S HN 0.122 nan 8.310 nan 0.000 0.486 37 S N 1.813 117.336 115.700 -0.296 0.000 2.533 37 S HA 0.623 5.095 4.470 0.002 0.000 0.282 37 S C -0.312 174.148 174.600 -0.234 0.000 1.304 37 S CA -0.519 57.486 58.200 -0.326 0.000 1.063 37 S CB 1.141 64.012 63.200 -0.548 0.000 0.881 37 S HN 0.320 nan 8.310 nan 0.000 0.493 38 V N 1.954 121.722 119.914 -0.243 0.000 3.258 38 V HA 0.514 4.635 4.120 0.002 0.000 0.299 38 V C -1.461 174.444 176.094 -0.315 0.000 1.376 38 V CA -0.916 61.257 62.300 -0.213 0.000 1.063 38 V CB 2.071 33.847 31.823 -0.079 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.173 121.110 119.950 -0.022 0.000 2.425 39 F HA 0.857 5.385 4.527 0.002 0.000 0.331 39 F C 0.139 176.047 175.800 0.181 0.000 1.085 39 F CA -0.550 57.436 58.000 -0.023 0.000 1.028 39 F CB 1.887 40.771 39.000 -0.193 0.000 1.177 39 F HN 0.230 nan 8.300 nan 0.000 0.487 40 V N 2.441 122.671 119.914 0.527 0.000 3.178 40 V HA 0.489 4.610 4.120 0.002 0.000 0.302 40 V C -0.962 175.498 176.094 0.610 0.000 1.262 40 V CA -0.923 61.682 62.300 0.508 0.000 1.030 40 V CB 2.582 34.564 31.823 0.264 0.000 1.074 40 V HN 0.486 nan 8.190 nan 0.000 0.438 41 V N 3.805 124.004 119.914 0.475 0.000 3.139 41 V HA 0.343 4.464 4.120 0.002 0.000 0.307 41 V C -0.332 175.887 176.094 0.208 0.000 1.095 41 V CA 0.384 62.820 62.300 0.226 0.000 1.160 41 V CB 1.020 32.940 31.823 0.161 0.000 1.003 41 V HN 0.999 nan 8.190 nan 0.000 0.489 42 H N 5.138 124.184 119.070 -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 -0.022 0.000 1.033 42 H CA -1.588 54.466 56.048 0.010 0.000 1.443 42 H CB 2.190 31.998 29.762 0.077 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.183 nan 4.420 nan 0.000 0.217 43 P C 1.026 178.462 177.300 0.227 0.000 1.158 43 P CA 1.615 64.814 63.100 0.165 0.000 0.887 43 P CB 0.767 32.493 31.700 0.044 0.000 0.792 44 K N -0.718 119.932 120.400 0.417 0.000 2.056 44 K HA 0.059 4.380 4.320 0.002 0.000 0.205 44 K C 0.945 177.520 176.600 -0.041 0.000 1.035 44 K CA 0.686 57.067 56.287 0.157 0.000 0.955 44 K CB -0.155 32.449 32.500 0.173 0.000 0.769 44 K HN 0.105 nan 8.250 nan 0.000 0.447 45 E N 0.152 120.115 120.200 -0.394 0.000 2.283 45 E HA 0.097 4.448 4.350 0.002 0.000 0.278 45 E C 0.407 176.919 176.600 -0.147 0.000 1.027 45 E CA -0.268 55.939 56.400 -0.322 0.000 0.843 45 E CB 1.634 31.094 29.700 -0.399 0.000 1.062 45 E HN 0.094 nan 8.360 nan 0.000 0.401 46 S N 2.386 118.100 115.700 0.023 0.000 2.389 46 S HA -0.159 4.312 4.470 0.002 0.000 0.229 46 S C 0.019 174.458 174.600 -0.268 0.000 1.048 46 S CA 1.465 59.611 58.200 -0.089 0.000 1.117 46 S CB -0.033 63.152 63.200 -0.026 0.000 1.020 46 S HN 0.379 nan 8.310 nan 0.000 0.430 47 F N -0.948 119.101 119.950 0.165 0.000 2.607 47 F HA 0.573 5.101 4.527 0.002 0.000 0.322 47 F C -0.280 175.734 175.800 0.356 0.000 1.176 47 F CA -0.709 57.421 58.000 0.217 0.000 0.977 47 F CB 1.544 40.607 39.000 0.104 0.000 1.242 47 F HN -0.087 nan 8.300 nan 0.000 0.465 48 V N 3.655 123.883 119.914 0.522 0.000 3.113 48 V HA 0.660 4.781 4.120 0.002 0.000 0.316 48 V C -0.995 175.290 176.094 0.317 0.000 1.125 48 V CA -0.893 61.673 62.300 0.445 0.000 1.026 48 V CB 2.387 34.415 31.823 0.342 0.000 1.080 48 V HN 0.697 nan 8.190 nan 0.000 0.444 49 K N 2.432 122.913 120.400 0.134 0.000 2.087 49 K HA 0.867 5.188 4.320 0.002 0.000 0.255 49 K C -0.107 176.488 176.600 -0.009 0.000 0.988 49 K CA -0.176 56.092 56.287 -0.031 0.000 0.915 49 K CB 1.493 33.832 32.500 -0.268 0.000 1.043 49 K HN 1.038 nan 8.250 nan 0.000 0.457 50 G N -0.089 108.665 108.800 -0.076 0.000 2.550 50 G HA2 0.395 4.356 3.960 0.002 0.000 0.293 50 G HA3 0.395 4.356 3.960 0.002 0.000 0.293 50 G C -1.503 173.340 174.900 -0.095 0.000 1.402 50 G CA -0.694 44.376 45.100 -0.049 0.000 0.784 50 G HN 0.397 nan 8.290 nan 0.000 0.482 51 T N 1.343 115.853 114.554 -0.073 0.000 2.797 51 T HA 0.483 4.834 4.350 0.002 0.000 0.279 51 T C 0.132 174.793 174.700 -0.065 0.000 0.991 51 T CA -0.402 61.643 62.100 -0.091 0.000 0.979 51 T CB 1.222 70.037 68.868 -0.089 0.000 0.943 51 T HN 0.372 nan 8.240 nan 0.000 0.444 52 I N 3.843 124.370 120.570 -0.072 0.000 2.533 52 I HA 0.119 4.290 4.170 0.002 0.000 0.284 52 I C 1.358 177.447 176.117 -0.046 0.000 1.109 52 I CA 0.055 61.325 61.300 -0.051 0.000 1.412 52 I CB 0.428 38.398 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 0.117 4.458 4.340 0.002 0.000 0.194 53 Q C 0.707 176.692 176.000 -0.026 0.000 0.982 53 Q CA 0.833 56.618 55.803 -0.030 0.000 0.842 53 Q CB 0.092 28.816 28.738 -0.023 0.000 0.941 53 Q HN 0.821 nan 8.270 nan 0.000 0.516 54 S N -0.382 115.305 115.700 -0.022 0.000 2.837 54 S HA 0.681 5.152 4.470 0.002 0.000 0.314 54 S C -0.766 173.824 174.600 -0.018 0.000 1.098 54 S CA -0.774 57.415 58.200 -0.019 0.000 0.903 54 S CB 2.081 65.272 63.200 -0.015 0.000 1.310 54 S HN 0.044 nan 8.310 nan 0.000 0.581 55 K N 0.412 120.804 120.400 -0.015 0.000 2.687 55 K HA 0.266 4.587 4.320 0.002 0.000 0.249 55 K C -0.761 175.833 176.600 -0.010 0.000 0.994 55 K CA -0.071 56.208 56.287 -0.013 0.000 0.913 55 K CB 1.401 33.893 32.500 -0.013 0.000 1.202 55 K HN 0.589 nan 8.250 nan 0.000 0.460 56 E N 1.923 122.117 120.200 -0.010 0.000 2.365 56 E HA 0.026 4.377 4.350 0.002 0.000 0.188 56 E C 0.824 177.420 176.600 -0.006 0.000 1.102 56 E CA 0.536 56.931 56.400 -0.008 0.000 0.927 56 E CB 0.409 30.105 29.700 -0.008 0.000 1.073 56 E HN 1.048 nan 8.360 nan 0.000 0.467 57 G N 0.558 109.355 108.800 -0.006 0.000 2.245 57 G HA2 -0.315 3.646 3.960 0.002 0.000 0.264 57 G HA3 -0.315 3.646 3.960 0.002 0.000 0.264 57 G C 0.796 175.694 174.900 -0.003 0.000 0.985 57 G CA 0.261 45.359 45.100 -0.003 0.000 0.625 57 G HN 0.578 nan 8.290 nan 0.000 0.536 58 G N -1.019 107.777 108.800 -0.006 0.000 4.782 58 G HA2 0.426 4.387 3.960 0.002 0.000 0.221 58 G HA3 0.426 4.387 3.960 0.002 0.000 0.221 58 G C -0.274 174.619 174.900 -0.011 0.000 0.706 58 G CA 0.488 45.584 45.100 -0.007 0.000 1.108 58 G HN 0.668 nan 8.290 nan 0.000 0.722 59 K N -0.348 120.045 120.400 -0.012 0.000 2.512 59 K HA 0.808 5.129 4.320 0.002 0.000 0.263 59 K C -1.290 175.300 176.600 -0.016 0.000 0.966 59 K CA -0.863 55.416 56.287 -0.013 0.000 0.851 59 K CB 3.400 35.894 32.500 -0.010 0.000 1.395 59 K HN -0.006 nan 8.250 nan 0.000 0.440 60 V N 1.140 121.043 119.914 -0.017 0.000 2.808 60 V HA 0.422 4.543 4.120 0.002 0.000 0.308 60 V C -1.064 175.021 176.094 -0.015 0.000 1.099 60 V CA -0.876 61.413 62.300 -0.018 0.000 0.920 60 V CB 2.293 34.102 31.823 -0.023 0.000 1.014 60 V HN 0.923 nan 8.190 nan 0.000 0.425 61 T N 2.403 116.948 114.554 -0.015 0.000 2.771 61 T HA 0.815 5.166 4.350 0.002 0.000 0.281 61 T C -0.540 174.152 174.700 -0.014 0.000 0.982 61 T CA -0.672 61.419 62.100 -0.014 0.000 0.978 61 T CB 1.639 70.499 68.868 -0.014 0.000 0.930 61 T HN 0.404 nan 8.240 nan 0.000 0.447 62 V N 2.216 122.125 119.914 -0.009 0.000 2.876 62 V HA 0.536 4.657 4.120 0.002 0.000 0.312 62 V C 0.137 176.229 176.094 -0.004 0.000 1.085 62 V CA -1.240 61.055 62.300 -0.008 0.000 0.945 62 V CB 2.336 34.161 31.823 0.003 0.000 1.017 62 V HN 0.846 nan 8.190 nan 0.000 0.428 63 K N 0.596 120.991 120.400 -0.009 0.000 2.117 63 K HA 0.665 4.986 4.320 0.002 0.000 0.240 63 K C -0.266 176.341 176.600 0.012 0.000 1.031 63 K CA -0.246 56.040 56.287 -0.002 0.000 0.909 63 K CB 1.203 33.696 32.500 -0.012 0.000 1.097 63 K HN 0.892 nan 8.250 nan 0.000 0.492 64 T N 0.492 115.061 114.554 0.025 0.000 2.858 64 T HA 0.214 4.565 4.350 0.002 0.000 0.285 64 T C -1.087 173.637 174.700 0.040 0.000 1.052 64 T CA -0.711 61.420 62.100 0.052 0.000 1.009 64 T CB 1.239 70.157 68.868 0.084 0.000 1.241 64 T HN 0.459 nan 8.240 nan 0.000 0.542 65 E N 0.551 120.787 120.200 0.061 0.000 2.267 65 E HA 0.475 4.826 4.350 0.002 0.000 0.241 65 E C 0.310 176.954 176.600 0.073 0.000 0.950 65 E CA -0.257 56.175 56.400 0.053 0.000 0.776 65 E CB 0.277 30.007 29.700 0.049 0.000 1.207 65 E HN 0.972 nan 8.360 nan 0.000 0.436 66 G N 1.829 110.663 108.800 0.058 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 0.423 175.352 174.900 0.049 0.000 0.993 66 G CA -0.166 44.969 45.100 0.058 0.000 0.836 66 G HN 0.803 nan 8.290 nan 0.000 0.514 67 G N -0.175 108.653 108.800 0.048 0.000 3.055 67 G HA2 0.437 4.398 3.960 0.002 0.000 0.654 67 G HA3 0.437 4.398 3.960 0.002 0.000 0.654 67 G C -0.702 174.221 174.900 0.038 0.000 1.134 67 G CA 0.826 45.947 45.100 0.034 0.000 1.049 67 G HN 1.306 nan 8.290 nan 0.000 0.458 68 E N 0.297 120.518 120.200 0.035 0.000 2.388 68 E HA 0.736 5.087 4.350 0.002 0.000 0.281 68 E C -0.388 176.219 176.600 0.011 0.000 1.046 68 E CA -0.373 56.042 56.400 0.026 0.000 0.825 68 E CB 1.528 31.254 29.700 0.044 0.000 1.243 68 E HN 0.753 nan 8.360 nan 0.000 0.438 69 T N 1.498 116.049 114.554 -0.005 0.000 2.841 69 T HA 0.711 5.062 4.350 0.002 0.000 0.285 69 T C -0.846 173.839 174.700 -0.026 0.000 0.991 69 T CA -0.660 61.433 62.100 -0.011 0.000 0.966 69 T CB 0.888 69.750 68.868 -0.009 0.000 0.962 69 T HN 0.301 nan 8.240 nan 0.000 0.438 70 L N 2.155 123.361 121.223 -0.027 0.000 2.422 70 L HA 0.627 4.968 4.340 0.002 0.000 0.264 70 L C -0.322 176.534 176.870 -0.023 0.000 0.984 70 L CA -0.474 54.344 54.840 -0.038 0.000 0.819 70 L CB 2.790 44.812 42.059 -0.061 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.418 116.958 114.554 -0.023 0.000 2.853 71 T HA 0.561 4.912 4.350 0.002 0.000 0.317 71 T C -0.530 174.161 174.700 -0.014 0.000 1.059 71 T CA -0.320 61.771 62.100 -0.016 0.000 0.954 71 T CB 1.036 69.895 68.868 -0.014 0.000 0.994 71 T HN 0.193 nan 8.240 nan 0.000 0.479 72 V N 3.359 123.266 119.914 -0.010 0.000 2.864 72 V HA 0.446 4.567 4.120 0.002 0.000 0.314 72 V C 0.437 176.523 176.094 -0.013 0.000 1.073 72 V CA -1.161 61.135 62.300 -0.007 0.000 0.956 72 V CB 2.324 34.151 31.823 0.007 0.000 1.023 72 V HN 0.736 nan 8.190 nan 0.000 0.435 73 K N 1.492 121.884 120.400 -0.013 0.000 2.414 73 K HA -0.132 4.189 4.320 0.002 0.000 0.266 73 K C 1.234 177.808 176.600 -0.043 0.000 0.976 73 K CA 1.182 57.457 56.287 -0.021 0.000 0.884 73 K CB 0.112 32.603 32.500 -0.014 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.279 120.452 120.200 -0.044 0.000 2.107 74 E HA -0.137 4.214 4.350 0.002 0.000 0.191 74 E C 0.103 176.632 176.600 -0.119 0.000 0.982 74 E CA 1.294 57.657 56.400 -0.062 0.000 0.809 74 E CB 0.174 29.852 29.700 -0.038 0.000 0.756 74 E HN 0.499 nan 8.360 nan 0.000 0.459 75 D N -0.642 119.690 120.400 -0.113 0.000 2.706 75 D HA 0.068 4.709 4.640 0.002 0.000 0.236 75 D C 0.427 176.563 176.300 -0.274 0.000 1.231 75 D CA 0.007 53.890 54.000 -0.195 0.000 0.828 75 D CB 0.351 41.080 40.800 -0.119 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 -0.259 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 -0.209 0.000 0.828 76 Q CA 0.023 55.754 55.803 -0.120 0.000 0.967 76 Q CB 1.319 30.063 28.738 0.009 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.552 121.178 119.914 -0.480 0.000 2.417 77 V HA 0.502 4.623 4.120 0.002 0.000 0.291 77 V C -1.132 174.607 176.094 -0.592 0.000 1.024 77 V CA -0.481 61.617 62.300 -0.336 0.000 0.861 77 V CB 1.087 32.823 31.823 -0.145 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.807 121.831 119.950 0.123 0.000 2.547 78 F HA 0.509 5.037 4.527 0.002 0.000 0.316 78 F C 0.740 176.630 175.800 0.150 0.000 1.121 78 F CA -0.586 57.505 58.000 0.151 0.000 0.911 78 F CB 1.848 40.774 39.000 -0.124 0.000 1.179 78 F HN 0.353 nan 8.300 nan 0.000 0.443 79 S N 2.480 118.472 115.700 0.487 0.000 2.589 79 S HA 0.264 4.735 4.470 0.002 0.000 0.256 79 S C -0.317 174.392 174.600 0.183 0.000 1.383 79 S CA -0.141 58.218 58.200 0.265 0.000 0.983 79 S CB 0.338 63.685 63.200 0.245 0.000 0.908 79 S HN 0.693 nan 8.310 nan 0.000 0.572 80 M N 2.135 121.694 119.600 -0.068 0.000 2.263 80 M HA 0.316 4.797 4.480 0.002 0.000 0.295 80 M C -1.068 175.191 176.300 -0.068 0.000 1.028 80 M CA -0.555 54.686 55.300 -0.098 0.000 0.921 80 M CB 1.050 33.468 32.600 -0.302 0.000 1.601 80 M HN 0.507 nan 8.290 nan 0.000 0.440 81 N N 5.724 124.393 118.700 -0.053 0.000 2.454 81 N HA 0.212 4.953 4.740 0.002 0.000 0.254 81 N C -2.505 172.820 175.510 -0.308 0.000 1.228 81 N CA -0.522 52.493 53.050 -0.059 0.000 0.900 81 N CB 0.313 38.863 38.487 0.105 0.000 1.089 81 N HN 0.458 nan 8.380 nan 0.000 0.449 82 P HA 0.054 nan 4.420 nan 0.000 0.269 82 P C -1.921 175.001 177.300 -0.631 0.000 1.217 82 P CA -0.922 61.679 63.100 -0.832 0.000 0.783 82 P CB -0.090 31.404 31.700 -0.343 0.000 0.898 83 P HA -0.159 nan 4.420 nan 0.000 0.221 83 P C 1.419 178.550 177.300 -0.282 0.000 1.145 83 P CA 1.618 64.489 63.100 -0.383 0.000 0.795 83 P CB -0.168 31.379 31.700 -0.255 0.000 0.775 84 K N -0.300 119.856 120.400 -0.406 0.000 2.211 84 K HA -0.164 4.157 4.320 0.002 0.000 0.204 84 K C -0.077 176.229 176.600 -0.489 0.000 1.047 84 K CA 1.102 57.094 56.287 -0.491 0.000 0.935 84 K CB -0.285 31.803 32.500 -0.688 0.000 0.728 84 K HN 0.136 nan 8.250 nan 0.000 0.452 85 Y N 1.165 121.408 120.300 -0.095 0.000 2.958 85 Y HA 0.156 4.707 4.550 0.002 0.000 0.336 85 Y C 0.403 176.280 175.900 -0.039 0.000 1.160 85 Y CA -1.027 57.045 58.100 -0.047 0.000 1.292 85 Y CB 0.678 39.120 38.460 -0.031 0.000 1.306 85 Y HN 0.083 nan 8.280 nan 0.000 0.547 86 D N 1.508 121.947 120.400 0.064 0.000 2.255 86 D HA 0.025 4.666 4.640 0.002 0.000 0.224 86 D C 0.258 176.603 176.300 0.075 0.000 0.997 86 D CA 1.204 55.233 54.000 0.049 0.000 0.906 86 D CB 0.448 41.251 40.800 0.005 0.000 1.047 86 D HN 0.273 nan 8.370 nan 0.000 0.458 87 K N 0.477 120.915 120.400 0.062 0.000 3.237 87 K HA 0.266 4.587 4.320 0.002 0.000 0.197 87 K C -0.586 176.056 176.600 0.070 0.000 1.133 87 K CA -0.376 55.948 56.287 0.062 0.000 0.944 87 K CB 1.377 33.902 32.500 0.041 0.000 0.952 87 K HN 0.133 nan 8.250 nan 0.000 0.515 88 I N 2.433 123.062 120.570 0.098 0.000 2.821 88 I HA -0.158 4.013 4.170 0.002 0.000 0.294 88 I C 1.496 177.680 176.117 0.111 0.000 1.210 88 I CA 1.037 62.408 61.300 0.119 0.000 1.430 88 I CB 0.404 38.496 38.000 0.153 0.000 1.356 88 I HN 0.549 nan 8.210 nan 0.000 0.563 89 E N 3.410 123.685 120.200 0.126 0.000 2.118 89 E HA -0.192 4.159 4.350 0.002 0.000 0.195 89 E C 0.245 176.989 176.600 0.240 0.000 0.992 89 E CA 1.111 57.605 56.400 0.156 0.000 0.804 89 E CB 0.139 29.953 29.700 0.188 0.000 0.741 89 E HN 0.504 nan 8.360 nan 0.000 0.458 90 D N -0.785 119.747 120.400 0.220 0.000 2.420 90 D HA 0.125 4.766 4.640 0.002 0.000 0.255 90 D C 0.642 177.014 176.300 0.121 0.000 1.185 90 D CA -0.170 53.957 54.000 0.211 0.000 0.904 90 D CB 0.679 41.580 40.800 0.169 0.000 1.102 90 D HN -0.040 nan 8.370 nan 0.000 0.534 91 M N 1.485 121.147 119.600 0.103 0.000 2.337 91 M HA -0.142 4.339 4.480 0.002 0.000 0.261 91 M C 1.739 178.039 176.300 0.000 0.000 1.067 91 M CA 1.175 56.502 55.300 0.045 0.000 1.074 91 M CB -0.116 32.507 32.600 0.038 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.493 122.338 122.820 0.017 0.000 2.255 92 A HA 0.089 4.410 4.320 0.002 0.000 0.206 92 A C 1.890 179.446 177.584 -0.046 0.000 1.193 92 A CA 0.650 52.672 52.037 -0.025 0.000 0.794 92 A CB -0.588 18.400 19.000 -0.020 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.421 118.158 119.600 -0.035 0.000 2.367 93 M HA 0.284 4.765 4.480 0.002 0.000 0.256 93 M C 0.312 176.519 176.300 -0.155 0.000 1.091 93 M CA 0.001 55.281 55.300 -0.033 0.000 1.049 93 M CB 0.077 32.707 32.600 0.051 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.309 119.133 119.600 -0.264 0.000 2.252 94 M HA -0.096 4.385 4.480 0.002 0.000 0.321 94 M C 1.282 177.306 176.300 -0.461 0.000 1.070 94 M CA 0.788 55.739 55.300 -0.581 0.000 1.143 94 M CB 0.389 32.791 32.600 -0.330 0.000 1.498 94 M HN -0.087 nan 8.290 nan 0.000 0.445 95 T N -0.045 114.181 114.554 -0.547 0.000 3.122 95 T HA 0.132 4.483 4.350 0.002 0.000 0.250 95 T C -0.658 173.871 174.700 -0.286 0.000 1.067 95 T CA 0.288 62.226 62.100 -0.270 0.000 0.966 95 T CB -0.275 68.536 68.868 -0.095 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.868 119.767 119.070 -0.284 0.000 2.854 96 H HA 0.396 4.953 4.556 0.002 0.000 0.275 96 H C -1.232 173.895 175.328 -0.334 0.000 1.198 96 H CA -0.698 55.176 56.048 -0.290 0.000 1.489 96 H CB 0.565 30.229 29.762 -0.162 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.046 125.101 121.223 -0.281 0.000 2.358 97 L HA 0.251 4.593 4.340 0.002 0.000 0.274 97 L C 0.105 176.831 176.870 -0.239 0.000 1.136 97 L CA 0.093 54.805 54.840 -0.213 0.000 0.970 97 L CB -1.297 40.655 42.059 -0.179 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.718 118.290 119.070 -0.102 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 -0.314 0.000 1.409 98 H CA -0.655 55.272 56.048 -0.201 0.000 1.328 98 H CB 1.820 31.388 29.762 -0.324 0.000 1.940 98 H HN 0.390 nan 8.280 nan 0.000 0.665 99 E N 0.230 120.249 120.200 -0.301 0.000 2.042 99 E HA -0.024 4.327 4.350 0.002 0.000 0.189 99 E C -1.032 175.185 176.600 -0.640 0.000 0.974 99 E CA 0.267 56.413 56.400 -0.423 0.000 0.806 99 E CB -0.556 28.908 29.700 -0.394 0.000 0.769 99 E HN 0.416 nan 8.360 nan 0.000 0.451 100 P HA -0.134 nan 4.420 nan 0.000 0.215 100 P C 0.995 177.735 177.300 -0.934 0.000 1.157 100 P CA 1.856 64.173 63.100 -1.304 0.000 0.863 100 P CB -0.109 30.457 31.700 -1.891 0.000 0.787 101 A N -0.633 121.740 122.820 -0.744 0.000 2.032 101 A HA -0.153 4.168 4.320 0.002 0.000 0.221 101 A C 2.319 179.818 177.584 -0.141 0.000 1.165 101 A CA 1.745 53.618 52.037 -0.273 0.000 0.645 101 A CB -1.680 17.445 19.000 0.207 0.000 0.807 101 A HN 0.091 nan 8.150 nan 0.000 0.453 102 V N -0.562 119.239 119.914 -0.187 0.000 2.446 102 V HA -0.133 3.988 4.120 0.002 0.000 0.244 102 V C 2.390 178.389 176.094 -0.158 0.000 1.039 102 V CA 1.551 63.774 62.300 -0.128 0.000 1.045 102 V CB -0.484 31.267 31.823 -0.120 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.085 120.991 121.223 -0.246 0.000 1.994 103 L HA -0.168 4.173 4.340 0.002 0.000 0.208 103 L C 2.283 178.964 176.870 -0.316 0.000 1.071 103 L CA 2.229 56.884 54.840 -0.308 0.000 0.745 103 L CB -1.148 40.666 42.059 -0.408 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.045 120.163 120.300 -0.305 0.000 2.256 104 Y HA -0.249 4.302 4.550 0.002 0.000 0.288 104 Y C 2.664 178.530 175.900 -0.057 0.000 1.155 104 Y CA 2.022 60.018 58.100 -0.174 0.000 1.203 104 Y CB -0.631 37.722 38.460 -0.177 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.457 118.279 118.700 0.060 0.000 2.216 105 N HA -0.139 4.602 4.740 0.002 0.000 0.183 105 N C 1.582 177.107 175.510 0.024 0.000 1.017 105 N CA 0.649 53.736 53.050 0.061 0.000 0.861 105 N CB -0.214 38.305 38.487 0.054 0.000 0.986 105 N HN 0.058 nan 8.380 nan 0.000 0.428 106 L N 1.635 122.840 121.223 -0.029 0.000 1.976 106 L HA -0.093 4.248 4.340 0.002 0.000 0.209 106 L C 2.261 179.115 176.870 -0.027 0.000 1.071 106 L CA 1.678 56.487 54.840 -0.052 0.000 0.746 106 L CB -1.171 40.817 42.059 -0.118 0.000 0.890 106 L HN 0.203 nan 8.230 nan 0.000 0.432 107 K N -0.280 120.084 120.400 -0.060 0.000 2.059 107 K HA -0.262 4.059 4.320 0.002 0.000 0.212 107 K C 1.942 178.579 176.600 0.061 0.000 1.050 107 K CA 2.158 58.439 56.287 -0.010 0.000 0.927 107 K CB -0.105 32.326 32.500 -0.116 0.000 0.714 107 K HN 0.379 nan 8.250 nan 0.000 0.447 108 E N -0.179 120.059 120.200 0.063 0.000 2.077 108 E HA -0.191 4.160 4.350 0.002 0.000 0.193 108 E C 1.770 178.384 176.600 0.023 0.000 0.989 108 E CA 1.569 58.005 56.400 0.060 0.000 0.800 108 E CB 0.000 29.757 29.700 0.094 0.000 0.746 108 E HN 0.441 nan 8.360 nan 0.000 0.452 109 R N -0.516 120.008 120.500 0.041 0.000 2.319 109 R HA -0.021 4.320 4.340 0.002 0.000 0.204 109 R C 1.432 177.760 176.300 0.047 0.000 0.954 109 R CA 0.550 56.669 56.100 0.032 0.000 1.066 109 R CB -0.130 30.192 30.300 0.036 0.000 0.991 109 R HN 0.205 nan 8.270 nan 0.000 0.486 110 Y N 0.916 121.139 120.300 -0.129 0.000 2.464 110 Y HA 0.371 4.922 4.550 0.002 0.000 0.288 110 Y C 2.269 177.942 175.900 -0.379 0.000 1.133 110 Y CA 0.184 58.173 58.100 -0.185 0.000 1.223 110 Y CB -0.120 38.248 38.460 -0.154 0.000 1.187 110 Y HN 0.056 nan 8.280 nan 0.000 0.539 111 A N 0.255 122.837 122.820 -0.398 0.000 2.178 111 A HA 0.133 4.454 4.320 0.002 0.000 0.218 111 A C 1.911 179.077 177.584 -0.696 0.000 1.157 111 A CA 1.405 53.074 52.037 -0.613 0.000 0.689 111 A CB -1.082 17.750 19.000 -0.281 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.313 119.256 122.820 -0.418 0.000 2.430 112 A HA 0.418 4.739 4.320 0.002 0.000 0.243 112 A C 0.355 177.955 177.584 0.027 0.000 1.254 112 A CA -0.190 51.737 52.037 -0.182 0.000 0.914 112 A CB -0.427 18.538 19.000 -0.058 0.000 0.998 112 A HN 0.711 nan 8.150 nan 0.000 0.515 113 W N -1.460 119.803 121.300 -0.060 0.000 4.301 113 W HA -0.170 4.491 4.660 0.002 0.000 0.360 113 W C -0.559 175.997 176.519 0.062 0.000 1.371 113 W CA 0.776 58.113 57.345 -0.014 0.000 0.781 113 W CB -2.343 27.185 29.460 0.113 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.891 120.581 119.600 0.150 0.000 2.066 114 M HA 0.275 4.756 4.480 0.002 0.000 0.340 114 M C 1.519 177.838 176.300 0.031 0.000 1.053 114 M CA -0.184 55.173 55.300 0.095 0.000 0.983 114 M CB 0.667 33.305 32.600 0.063 0.000 1.520 114 M HN 0.103 nan 8.290 nan 0.000 0.428 115 I N -0.763 119.724 120.570 -0.138 0.000 3.226 115 I HA 0.112 4.283 4.170 0.002 0.000 0.277 115 I C -0.521 175.282 176.117 -0.524 0.000 1.243 115 I CA 0.534 61.632 61.300 -0.336 0.000 1.459 115 I CB 0.126 37.818 38.000 -0.514 0.000 1.093 115 I HN 0.388 nan 8.210 nan 0.000 0.453 116 Y N 2.136 122.408 120.300 -0.048 0.000 2.402 116 Y HA 0.547 5.098 4.550 0.002 0.000 0.332 116 Y C 0.319 176.113 175.900 -0.176 0.000 0.960 116 Y CA -1.175 56.850 58.100 -0.125 0.000 1.228 116 Y CB 1.226 39.583 38.460 -0.170 0.000 1.120 116 Y HN -0.051 nan 8.280 nan 0.000 0.491 117 T N 3.171 117.723 114.554 -0.003 0.000 2.861 117 T HA 0.590 4.941 4.350 0.002 0.000 0.287 117 T C -1.110 173.571 174.700 -0.030 0.000 1.003 117 T CA -0.550 61.520 62.100 -0.050 0.000 0.977 117 T CB 0.422 69.291 68.868 0.001 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.212 122.585 120.300 0.121 0.000 2.335 118 Y HA 0.557 5.108 4.550 0.002 0.000 0.323 118 Y C 1.292 177.263 175.900 0.118 0.000 1.224 118 Y CA -0.787 57.391 58.100 0.129 0.000 1.241 118 Y CB 1.681 40.210 38.460 0.114 0.000 1.235 118 Y HN 0.648 nan 8.280 nan 0.000 0.492 119 S N 1.237 117.148 115.700 0.351 0.000 2.327 119 S HA 0.552 5.023 4.470 0.002 0.000 0.203 119 S C 0.330 175.050 174.600 0.200 0.000 1.326 119 S CA 0.268 58.618 58.200 0.251 0.000 1.248 119 S CB -0.942 62.402 63.200 0.240 0.000 1.199 119 S HN 1.247 nan 8.310 nan 0.000 0.422 120 G N 2.016 110.877 108.800 0.103 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 0.263 175.122 174.900 -0.069 0.000 1.647 120 G CA 0.081 45.164 45.100 -0.030 0.000 1.146 120 G HN 0.531 nan 8.290 nan 0.000 0.545 121 L N 1.114 122.225 121.223 -0.187 0.000 2.515 121 L HA 0.478 4.819 4.340 0.002 0.000 0.223 121 L C 1.081 177.998 176.870 0.078 0.000 1.079 121 L CA -0.148 54.644 54.840 -0.081 0.000 0.857 121 L CB -0.035 41.995 42.059 -0.048 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.821 119.259 119.950 0.217 0.000 2.535 122 F HA 0.039 4.567 4.527 0.002 0.000 0.332 122 F C 0.718 176.693 175.800 0.291 0.000 1.208 122 F CA -0.926 57.197 58.000 0.205 0.000 1.330 122 F CB 0.173 39.220 39.000 0.078 0.000 1.167 122 F HN -0.207 nan 8.300 nan 0.000 0.597 123 C N 3.866 123.463 119.300 0.494 0.000 2.814 123 C HA 0.652 5.113 4.460 0.002 0.000 0.269 123 C C -0.546 174.564 174.990 0.200 0.000 1.090 123 C CA -0.688 58.535 59.018 0.342 0.000 1.492 123 C CB -1.463 26.426 27.740 0.249 0.000 1.825 123 C HN 0.494 nan 8.230 nan 0.000 0.442 124 V N 4.983 124.993 119.914 0.161 0.000 2.763 124 V HA 0.338 4.459 4.120 0.002 0.000 0.306 124 V C 0.803 176.953 176.094 0.093 0.000 1.059 124 V CA 0.792 63.132 62.300 0.066 0.000 1.138 124 V CB 1.274 33.107 31.823 0.017 0.000 0.940 124 V HN 0.851 nan 8.190 nan 0.000 0.489 125 T N 3.493 118.070 114.554 0.039 0.000 3.011 125 T HA 0.514 4.865 4.350 0.002 0.000 0.303 125 T C -0.691 173.940 174.700 -0.115 0.000 0.997 125 T CA -0.357 61.760 62.100 0.027 0.000 1.007 125 T CB 1.524 70.483 68.868 0.152 0.000 1.017 125 T HN 0.456 nan 8.240 nan 0.000 0.443 126 V N 3.682 123.466 119.914 -0.217 0.000 2.459 126 V HA 0.445 4.566 4.120 0.002 0.000 0.295 126 V C 0.579 176.515 176.094 -0.264 0.000 1.029 126 V CA -1.216 60.904 62.300 -0.300 0.000 0.874 126 V CB 1.543 33.072 31.823 -0.491 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.575 124.075 118.700 -0.333 0.000 2.417 127 N HA 0.055 4.796 4.740 0.002 0.000 0.272 127 N C -1.451 173.809 175.510 -0.418 0.000 1.304 127 N CA -1.074 51.702 53.050 -0.458 0.000 0.906 127 N CB 1.209 39.235 38.487 -0.768 0.000 1.135 127 N HN 0.484 nan 8.380 nan 0.000 0.483 128 P HA -0.123 nan 4.420 nan 0.000 0.215 128 P C -0.311 177.037 177.300 0.079 0.000 1.157 128 P CA 1.181 64.284 63.100 0.005 0.000 0.863 128 P CB 0.117 31.777 31.700 -0.066 0.000 0.787 129 Y N -1.530 118.819 120.300 0.081 0.000 4.786 129 Y HA -0.229 4.322 4.550 0.002 0.000 0.243 129 Y C 0.686 176.612 175.900 0.043 0.000 1.027 129 Y CA 0.660 58.803 58.100 0.070 0.000 2.052 129 Y CB -2.352 36.172 38.460 0.106 0.000 1.578 129 Y HN 0.250 nan 8.280 nan 0.000 0.655 130 K N -2.347 118.146 120.400 0.155 0.000 2.580 130 K HA 0.479 4.800 4.320 0.002 0.000 0.288 130 K C -1.258 175.352 176.600 0.017 0.000 1.041 130 K CA -0.980 55.350 56.287 0.071 0.000 0.855 130 K CB 0.972 33.478 32.500 0.011 0.000 1.543 130 K HN -0.010 nan 8.250 nan 0.000 0.388 131 W N 1.429 122.634 121.300 -0.158 0.000 2.381 131 W HA 0.584 5.245 4.660 0.002 0.000 0.329 131 W C -1.465 174.888 176.519 -0.276 0.000 1.157 131 W CA -0.375 56.857 57.345 -0.189 0.000 1.240 131 W CB 0.964 30.340 29.460 -0.140 0.000 1.199 131 W HN 0.418 nan 8.180 nan 0.000 0.579 132 L N 6.720 127.184 121.223 -1.265 0.000 2.445 132 L HA 0.391 4.732 4.340 0.002 0.000 0.262 132 L C -1.671 174.147 176.870 -1.753 0.000 0.974 132 L CA -1.927 52.161 54.840 -1.252 0.000 0.822 132 L CB 2.554 44.126 42.059 -0.812 0.000 1.339 132 L HN 0.311 nan 8.230 nan 0.000 0.409 133 P HA 0.032 nan 4.420 nan 0.000 0.258 133 P C 1.046 178.305 177.300 -0.069 0.000 1.319 133 P CA 0.307 63.155 63.100 -0.420 0.000 0.785 133 P CB 0.199 31.949 31.700 0.083 0.000 1.252 134 V N -1.477 118.409 119.914 -0.048 0.000 2.591 134 V HA -0.162 3.959 4.120 0.002 0.000 0.249 134 V C 1.519 177.929 176.094 0.527 0.000 1.053 134 V CA 1.513 63.990 62.300 0.294 0.000 1.068 134 V CB -1.279 30.740 31.823 0.326 0.000 0.689 134 V HN 0.077 nan 8.190 nan 0.000 0.462 135 Y N -0.122 120.278 120.300 0.166 0.000 2.471 135 Y HA 0.232 4.783 4.550 0.002 0.000 0.286 135 Y C 1.168 177.227 175.900 0.265 0.000 1.188 135 Y CA -1.162 57.142 58.100 0.339 0.000 1.286 135 Y CB -1.349 37.242 38.460 0.218 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.176 122.084 118.700 0.346 0.000 2.359 136 N HA -0.072 4.669 4.740 0.002 0.000 0.261 136 N C -1.764 173.829 175.510 0.139 0.000 1.267 136 N CA -0.653 52.543 53.050 0.243 0.000 0.864 136 N CB 0.837 39.458 38.487 0.222 0.000 1.063 136 N HN 0.047 nan 8.380 nan 0.000 0.474 137 P HA -0.121 nan 4.420 nan 0.000 0.231 137 P C 0.143 177.440 177.300 -0.005 0.000 1.154 137 P CA 1.349 64.476 63.100 0.044 0.000 0.762 137 P CB 0.254 31.993 31.700 0.064 0.000 0.790 138 K N -1.177 119.231 120.400 0.013 0.000 2.276 138 K HA 0.062 4.383 4.320 0.002 0.000 0.198 138 K C 1.904 178.442 176.600 -0.104 0.000 1.052 138 K CA 0.315 56.577 56.287 -0.042 0.000 0.984 138 K CB -0.426 32.063 32.500 -0.018 0.000 0.836 138 K HN -0.088 nan 8.250 nan 0.000 0.490 139 V N 1.007 120.905 119.914 -0.027 0.000 2.295 139 V HA -0.246 3.875 4.120 0.002 0.000 0.246 139 V C 2.138 178.163 176.094 -0.115 0.000 1.049 139 V CA 1.492 63.801 62.300 0.016 0.000 1.024 139 V CB -0.458 31.538 31.823 0.289 0.000 0.648 139 V HN 0.055 nan 8.190 nan 0.000 0.447 140 V N -0.068 119.662 119.914 -0.306 0.000 2.277 140 V HA -0.345 3.776 4.120 0.002 0.000 0.255 140 V C 2.340 178.338 176.094 -0.159 0.000 1.074 140 V CA 2.523 64.588 62.300 -0.391 0.000 1.058 140 V CB -0.566 31.065 31.823 -0.320 0.000 0.656 140 V HN 0.440 nan 8.190 nan 0.000 0.449 141 L N -0.167 120.960 121.223 -0.160 0.000 2.044 141 L HA -0.020 4.321 4.340 0.002 0.000 0.205 141 L C 2.627 179.410 176.870 -0.144 0.000 1.075 141 L CA 2.052 56.808 54.840 -0.140 0.000 0.747 141 L CB -1.204 40.765 42.059 -0.149 0.000 0.903 141 L HN 0.263 nan 8.230 nan 0.000 0.435 142 A N -1.094 121.577 122.820 -0.249 0.000 1.917 142 A HA -0.268 4.053 4.320 0.002 0.000 0.219 142 A C 2.065 179.490 177.584 -0.264 0.000 1.182 142 A CA 1.842 53.623 52.037 -0.426 0.000 0.633 142 A CB -1.061 17.367 19.000 -0.953 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.027 119.248 120.300 -0.041 0.000 2.529 143 Y HA 0.177 4.728 4.550 0.002 0.000 0.290 143 Y C 1.035 176.969 175.900 0.056 0.000 1.177 143 Y CA 0.277 58.413 58.100 0.060 0.000 1.305 143 Y CB -0.049 38.459 38.460 0.080 0.000 1.047 143 Y HN 0.152 nan 8.280 nan 0.000 0.522 144 R N 0.774 121.351 120.500 0.129 0.000 2.242 144 R HA 0.376 4.718 4.340 0.002 0.000 0.334 144 R C 0.767 177.099 176.300 0.054 0.000 1.071 144 R CA 0.097 56.250 56.100 0.089 0.000 0.922 144 R CB -0.384 29.916 30.300 -0.000 0.000 1.023 144 R HN 0.395 nan 8.270 nan 0.000 0.458 145 G N 2.757 111.603 108.800 0.078 0.000 2.132 145 G HA2 -0.251 3.710 3.960 0.002 0.000 0.234 145 G HA3 -0.251 3.710 3.960 0.002 0.000 0.234 145 G C -0.460 174.460 174.900 0.034 0.000 0.989 145 G CA 0.089 45.216 45.100 0.046 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.164 121.606 120.400 0.069 0.000 2.265 146 K HA 0.535 4.856 4.320 0.002 0.000 0.267 146 K C 0.641 177.290 176.600 0.083 0.000 0.994 146 K CA -0.745 55.588 56.287 0.078 0.000 0.860 146 K CB 0.870 33.447 32.500 0.128 0.000 1.099 146 K HN 0.091 nan 8.250 nan 0.000 0.448 147 K N 1.808 122.231 120.400 0.039 0.000 2.336 147 K HA 0.009 4.330 4.320 0.002 0.000 0.262 147 K C 0.969 177.627 176.600 0.098 0.000 0.992 147 K CA 0.014 56.318 56.287 0.029 0.000 0.927 147 K CB 0.307 32.806 32.500 -0.001 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.474 121.031 120.500 0.095 0.000 2.369 148 R HA -0.096 4.245 4.340 0.002 0.000 0.200 148 R C 0.493 176.881 176.300 0.148 0.000 1.046 148 R CA 1.079 57.270 56.100 0.151 0.000 1.057 148 R CB -0.124 30.215 30.300 0.065 0.000 0.888 148 R HN 0.484 nan 8.270 nan 0.000 0.474 149 Q N 0.464 120.325 119.800 0.101 0.000 2.317 149 Q HA 0.094 4.435 4.340 0.002 0.000 0.220 149 Q C 0.808 176.865 176.000 0.094 0.000 0.873 149 Q CA 0.413 56.270 55.803 0.090 0.000 0.936 149 Q CB 0.713 29.483 28.738 0.053 0.000 1.105 149 Q HN 0.505 nan 8.270 nan 0.000 0.520 150 E N 0.277 120.537 120.200 0.099 0.000 2.478 150 E HA 0.245 4.596 4.350 0.002 0.000 0.194 150 E C -0.124 176.544 176.600 0.113 0.000 1.045 150 E CA 0.166 56.618 56.400 0.088 0.000 0.868 150 E CB 0.652 30.393 29.700 0.068 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.686 124.607 122.820 0.168 0.000 2.587 151 A HA 0.524 4.845 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 -1.557 50.595 52.037 0.191 0.000 0.692 151 A CB 1.138 20.259 19.000 0.202 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.356 nan 4.420 nan 0.000 0.272 152 P C -2.754 174.699 177.300 0.253 0.000 1.240 152 P CA -1.391 61.810 63.100 0.169 0.000 0.791 152 P CB -0.644 31.058 31.700 0.002 0.000 0.978 153 P HA 0.034 nan 4.420 nan 0.000 0.258 153 P C -0.415 176.811 177.300 -0.123 0.000 1.187 153 P CA 1.190 64.082 63.100 -0.348 0.000 0.767 153 P CB -0.251 31.079 31.700 -0.617 0.000 0.770 154 H N 1.614 120.410 119.070 -0.457 0.000 3.094 154 H HA 0.208 4.765 4.556 0.002 0.000 0.335 154 H C 0.708 175.495 175.328 -0.902 0.000 1.254 154 H CA -0.776 54.758 56.048 -0.856 0.000 1.240 154 H CB 1.365 30.652 29.762 -0.793 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.472 122.314 120.570 -1.214 0.000 2.361 155 I HA -0.261 3.910 4.170 0.002 0.000 0.251 155 I C 1.183 176.611 176.117 -1.148 0.000 1.133 155 I CA 1.297 61.957 61.300 -1.068 0.000 1.413 155 I CB -0.047 37.267 38.000 -1.143 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.523 118.564 119.950 -1.438 0.000 2.502 156 F HA -0.126 4.402 4.527 0.002 0.000 0.298 156 F C 2.698 177.946 175.800 -0.920 0.000 1.111 156 F CA 0.708 57.908 58.000 -1.334 0.000 1.445 156 F CB -0.778 37.451 39.000 -1.285 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.373 115.667 115.700 -0.676 0.000 2.355 157 S HA -0.147 4.324 4.470 0.002 0.000 0.222 157 S C 2.155 176.662 174.600 -0.154 0.000 1.031 157 S CA 1.092 59.149 58.200 -0.237 0.000 0.993 157 S CB -0.369 62.841 63.200 0.017 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.503 121.950 120.570 -0.205 0.000 2.142 158 I HA -0.173 3.998 4.170 0.002 0.000 0.240 158 I C 2.666 178.656 176.117 -0.212 0.000 1.078 158 I CA 1.654 62.863 61.300 -0.152 0.000 1.343 158 I CB -0.466 37.468 38.000 -0.110 0.000 1.046 158 I HN 0.404 nan 8.210 nan 0.000 0.405 159 S N -0.811 114.703 115.700 -0.310 0.000 2.442 159 S HA -0.240 4.231 4.470 0.002 0.000 0.236 159 S C 1.905 176.406 174.600 -0.164 0.000 1.007 159 S CA 1.688 59.708 58.200 -0.301 0.000 0.965 159 S CB -0.397 62.393 63.200 -0.683 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.740 121.054 120.400 -0.143 0.000 2.259 160 D HA 0.020 4.661 4.640 0.002 0.000 0.216 160 D C 1.768 178.154 176.300 0.144 0.000 0.961 160 D CA 0.386 54.449 54.000 0.106 0.000 0.878 160 D CB -0.289 40.595 40.800 0.140 0.000 1.009 160 D HN 0.420 nan 8.370 nan 0.000 0.490 161 N N 0.877 119.603 118.700 0.044 0.000 2.149 161 N HA -0.152 4.589 4.740 0.002 0.000 0.188 161 N C 1.854 177.476 175.510 0.187 0.000 1.019 161 N CA 0.998 54.075 53.050 0.046 0.000 0.857 161 N CB 0.041 38.570 38.487 0.069 0.000 0.997 161 N HN 0.156 nan 8.380 nan 0.000 0.426 162 A N 0.964 123.813 122.820 0.048 0.000 1.851 162 A HA -0.229 4.092 4.320 0.002 0.000 0.216 162 A C 2.097 179.816 177.584 0.225 0.000 1.195 162 A CA 1.283 53.350 52.037 0.050 0.000 0.622 162 A CB -1.212 17.829 19.000 0.070 0.000 0.831 162 A HN 0.376 nan 8.150 nan 0.000 0.444 163 Y N 0.547 120.931 120.300 0.140 0.000 2.081 163 Y HA -0.309 4.242 4.550 0.002 0.000 0.280 163 Y C 2.656 178.557 175.900 0.002 0.000 1.163 163 Y CA 2.292 60.422 58.100 0.050 0.000 1.135 163 Y CB -0.681 37.864 38.460 0.141 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.161 118.690 119.800 0.085 0.000 1.927 164 Q HA -0.257 4.084 4.340 0.002 0.000 0.210 164 Q C 2.179 178.125 176.000 -0.091 0.000 1.001 164 Q CA 2.138 57.891 55.803 -0.083 0.000 0.862 164 Q CB -0.705 27.928 28.738 -0.174 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.716 120.645 119.950 -0.036 0.000 2.141 165 F HA -0.322 4.206 4.527 0.002 0.000 0.300 165 F C 2.375 178.113 175.800 -0.103 0.000 1.079 165 F CA 1.475 59.472 58.000 -0.005 0.000 1.264 165 F CB -0.549 38.516 39.000 0.108 0.000 1.011 165 F HN 0.247 nan 8.300 nan 0.000 0.487 166 M N -0.327 119.299 119.600 0.043 0.000 2.059 166 M HA -0.233 4.248 4.480 0.002 0.000 0.259 166 M C 2.084 178.144 176.300 -0.400 0.000 1.072 166 M CA 2.039 57.210 55.300 -0.215 0.000 1.117 166 M CB -0.448 31.987 32.600 -0.274 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.846 120.152 121.223 -0.375 0.000 2.156 167 L HA -0.109 4.232 4.340 0.002 0.000 0.208 167 L C 2.301 179.058 176.870 -0.187 0.000 1.095 167 L CA 1.257 55.911 54.840 -0.311 0.000 0.770 167 L CB -1.361 40.537 42.059 -0.269 0.000 0.914 167 L HN 0.272 nan 8.230 nan 0.000 0.439 168 T N -0.299 114.181 114.554 -0.123 0.000 2.701 168 T HA -0.131 4.220 4.350 0.002 0.000 0.263 168 T C 1.302 175.984 174.700 -0.030 0.000 1.040 168 T CA 1.732 63.797 62.100 -0.058 0.000 1.147 168 T CB -0.219 68.625 68.868 -0.040 0.000 0.865 168 T HN 0.367 nan 8.240 nan 0.000 0.426 169 D N 0.326 120.726 120.400 -0.001 0.000 2.348 169 D HA 0.097 4.738 4.640 0.002 0.000 0.211 169 D C 0.623 176.866 176.300 -0.096 0.000 0.998 169 D CA 0.071 54.064 54.000 -0.012 0.000 0.873 169 D CB -0.063 40.762 40.800 0.042 0.000 0.925 169 D HN 0.251 nan 8.370 nan 0.000 0.524 170 R N 0.480 120.845 120.500 -0.224 0.000 3.531 170 R HA -0.153 4.188 4.340 0.002 0.000 0.280 170 R C -0.618 175.524 176.300 -0.263 0.000 1.130 170 R CA 0.664 56.558 56.100 -0.343 0.000 0.757 170 R CB -2.288 27.958 30.300 -0.090 0.000 1.218 170 R HN 0.414 nan 8.270 nan 0.000 0.454 171 E N 0.537 120.575 120.200 -0.270 0.000 2.299 171 E HA 0.360 4.711 4.350 0.002 0.000 0.265 171 E C -0.167 176.318 176.600 -0.191 0.000 0.911 171 E CA -1.064 55.244 56.400 -0.153 0.000 0.789 171 E CB 1.282 30.924 29.700 -0.096 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.486 120.086 118.700 -0.166 0.000 2.445 172 N HA 0.183 4.924 4.740 0.002 0.000 0.264 172 N C -0.367 174.998 175.510 -0.242 0.000 1.227 172 N CA -0.328 52.526 53.050 -0.327 0.000 0.963 172 N CB 0.980 39.000 38.487 -0.779 0.000 1.188 172 N HN 0.338 nan 8.380 nan 0.000 0.491 173 Q N -0.392 119.240 119.800 -0.281 0.000 2.495 173 Q HA 0.619 4.960 4.340 0.002 0.000 0.283 173 Q C -1.047 174.917 176.000 -0.060 0.000 1.097 173 Q CA -0.679 55.069 55.803 -0.092 0.000 0.836 173 Q CB 1.858 30.596 28.738 0.000 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.645 115.075 115.700 0.033 0.000 2.565 174 S HA 0.803 5.274 4.470 0.002 0.000 0.269 174 S C -1.402 173.242 174.600 0.074 0.000 1.153 174 S CA -0.729 57.526 58.200 0.091 0.000 0.835 174 S CB 0.786 64.062 63.200 0.127 0.000 1.122 174 S HN 0.424 nan 8.310 nan 0.000 0.462 175 I N 1.403 122.041 120.570 0.113 0.000 2.512 175 I HA 0.396 4.567 4.170 0.002 0.000 0.287 175 I C -1.667 174.517 176.117 0.111 0.000 1.069 175 I CA -0.488 60.871 61.300 0.099 0.000 1.056 175 I CB 1.852 39.934 38.000 0.137 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.798 129.064 121.223 0.071 0.000 2.277 176 L HA 0.516 4.857 4.340 0.002 0.000 0.284 176 L C -0.403 176.572 176.870 0.176 0.000 1.028 176 L CA -0.045 54.879 54.840 0.140 0.000 0.835 176 L CB 0.725 42.880 42.059 0.159 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.369 123.028 120.570 0.148 0.000 2.353 177 I HA 0.586 4.757 4.170 0.002 0.000 0.293 177 I C 0.415 176.595 176.117 0.105 0.000 0.992 177 I CA 0.299 61.670 61.300 0.118 0.000 1.268 177 I CB 1.633 39.692 38.000 0.097 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.481 118.081 114.554 0.077 0.000 3.012 178 T HA 0.769 5.120 4.350 0.002 0.000 0.330 178 T C -0.644 174.070 174.700 0.022 0.000 1.321 178 T CA -0.648 61.487 62.100 0.059 0.000 1.067 178 T CB 1.802 70.712 68.868 0.070 0.000 1.235 178 T HN 0.943 nan 8.240 nan 0.000 0.479 179 G N 1.558 110.375 108.800 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 -1.556 173.361 174.900 0.029 0.000 1.423 179 G CA -0.870 44.237 45.100 0.011 0.000 0.806 179 G HN 0.690 nan 8.290 nan 0.000 0.527 180 E N 0.208 120.423 120.200 0.027 0.000 2.391 180 E HA 0.286 4.637 4.350 0.002 0.000 0.255 180 E C 1.202 177.835 176.600 0.055 0.000 1.187 180 E CA 0.110 56.538 56.400 0.046 0.000 0.941 180 E CB 1.128 30.856 29.700 0.048 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.844 116.589 115.700 0.074 0.000 2.414 181 S HA -0.217 4.254 4.470 0.002 0.000 0.241 181 S C 1.589 176.229 174.600 0.066 0.000 1.079 181 S CA 1.974 60.217 58.200 0.072 0.000 1.087 181 S CB -0.476 62.774 63.200 0.083 0.000 0.927 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.972 107.871 108.800 0.072 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 1.244 176.193 174.900 0.082 0.000 1.142 182 G CA 0.587 45.742 45.100 0.092 0.000 0.759 182 G HN 0.570 nan 8.290 nan 0.000 0.550 183 A N 0.336 123.181 122.820 0.043 0.000 2.070 183 A HA 0.380 4.701 4.320 0.002 0.000 0.220 183 A C 1.933 179.516 177.584 -0.001 0.000 1.159 183 A CA 1.499 53.538 52.037 0.004 0.000 0.656 183 A CB -0.539 18.457 19.000 -0.008 0.000 0.800 183 A HN 1.631 nan 8.150 nan 0.000 0.453 184 G N -0.573 108.245 108.800 0.029 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 0.402 175.326 174.900 0.040 0.000 1.131 184 G CA 0.506 45.627 45.100 0.035 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.492 119.931 120.400 0.039 0.000 2.067 185 K HA 0.017 4.338 4.320 0.002 0.000 0.203 185 K C 2.560 179.191 176.600 0.052 0.000 1.048 185 K CA 1.480 57.794 56.287 0.044 0.000 0.954 185 K CB -0.450 32.074 32.500 0.041 0.000 0.737 185 K HN 0.309 nan 8.250 nan 0.000 0.444 186 T N 2.153 116.731 114.554 0.040 0.000 2.649 186 T HA -0.194 4.157 4.350 0.002 0.000 0.268 186 T C 2.201 176.945 174.700 0.073 0.000 1.036 186 T CA 2.021 64.148 62.100 0.045 0.000 1.157 186 T CB -0.898 67.990 68.868 0.033 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.682 122.642 119.914 0.077 0.000 2.282 187 V HA -0.260 3.861 4.120 0.002 0.000 0.249 187 V C 2.493 178.665 176.094 0.130 0.000 1.057 187 V CA 1.896 64.257 62.300 0.101 0.000 1.032 187 V CB -0.812 31.064 31.823 0.089 0.000 0.645 187 V HN 0.447 nan 8.190 nan 0.000 0.447 188 N N 0.503 119.266 118.700 0.105 0.000 2.106 188 N HA -0.119 4.622 4.740 0.002 0.000 0.188 188 N C 1.988 177.524 175.510 0.044 0.000 1.029 188 N CA 2.096 55.190 53.050 0.073 0.000 0.848 188 N CB -0.714 37.800 38.487 0.045 0.000 1.007 188 N HN 0.582 nan 8.380 nan 0.000 0.423 189 T N 2.206 116.800 114.554 0.065 0.000 2.635 189 T HA -0.137 4.214 4.350 0.002 0.000 0.267 189 T C 1.869 176.627 174.700 0.098 0.000 1.040 189 T CA 1.227 63.376 62.100 0.082 0.000 1.156 189 T CB -0.141 68.782 68.868 0.090 0.000 0.863 189 T HN 0.291 nan 8.240 nan 0.000 0.430 190 K N 0.700 121.162 120.400 0.104 0.000 2.009 190 K HA -0.083 4.238 4.320 0.002 0.000 0.210 190 K C 2.664 179.342 176.600 0.129 0.000 1.049 190 K CA 1.318 57.677 56.287 0.119 0.000 0.929 190 K CB -0.239 32.334 32.500 0.122 0.000 0.714 190 K HN 0.108 nan 8.250 nan 0.000 0.440 191 R N 0.714 121.288 120.500 0.124 0.000 2.127 191 R HA -0.098 4.243 4.340 0.002 0.000 0.238 191 R C 2.169 178.487 176.300 0.031 0.000 1.134 191 R CA 0.774 56.944 56.100 0.117 0.000 0.975 191 R CB -0.272 30.124 30.300 0.161 0.000 0.865 191 R HN 0.010 nan 8.270 nan 0.000 0.447 192 V N 0.513 120.419 119.914 -0.014 0.000 2.379 192 V HA -0.214 3.907 4.120 0.002 0.000 0.245 192 V C 2.164 178.341 176.094 0.139 0.000 1.044 192 V CA 1.506 63.781 62.300 -0.043 0.000 1.036 192 V CB -0.349 31.482 31.823 0.013 0.000 0.664 192 V HN 0.282 nan 8.190 nan 0.000 0.453 193 I N 0.129 120.823 120.570 0.207 0.000 2.163 193 I HA -0.285 3.886 4.170 0.002 0.000 0.243 193 I C 2.778 179.041 176.117 0.243 0.000 1.085 193 I CA 1.672 63.138 61.300 0.277 0.000 1.347 193 I CB -0.934 37.183 38.000 0.195 0.000 1.044 193 I HN 0.442 nan 8.210 nan 0.000 0.408 194 Q N 0.085 119.998 119.800 0.189 0.000 2.077 194 Q HA -0.288 4.053 4.340 0.002 0.000 0.206 194 Q C 2.214 178.298 176.000 0.140 0.000 0.989 194 Q CA 2.005 57.906 55.803 0.163 0.000 0.853 194 Q CB -0.936 27.908 28.738 0.176 0.000 0.907 194 Q HN 0.522 nan 8.270 nan 0.000 0.418 195 Y N 0.834 121.147 120.300 0.022 0.000 2.069 195 Y HA -0.305 4.246 4.550 0.002 0.000 0.278 195 Y C 2.061 177.836 175.900 -0.208 0.000 1.175 195 Y CA 1.709 59.746 58.100 -0.106 0.000 1.134 195 Y CB -0.532 37.803 38.460 -0.209 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.487 119.574 119.950 0.185 0.000 2.069 196 F HA -0.218 4.310 4.527 0.002 0.000 0.298 196 F C 2.633 178.462 175.800 0.049 0.000 1.113 196 F CA 1.439 59.517 58.000 0.130 0.000 1.214 196 F CB -1.434 37.793 39.000 0.377 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.111 123.071 122.820 0.234 0.000 1.883 197 A HA -0.237 4.084 4.320 0.002 0.000 0.217 197 A C 2.269 179.870 177.584 0.028 0.000 1.186 197 A CA 2.762 54.877 52.037 0.130 0.000 0.624 197 A CB -1.479 17.581 19.000 0.099 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.729 115.247 114.554 -0.060 0.000 2.588 198 T HA -0.193 4.158 4.350 0.002 0.000 0.261 198 T C 1.854 176.437 174.700 -0.196 0.000 1.069 198 T CA 1.475 63.496 62.100 -0.133 0.000 1.172 198 T CB -0.995 67.761 68.868 -0.186 0.000 0.863 198 T HN 0.810 nan 8.240 nan 0.000 0.408 199 I N 0.285 120.623 120.570 -0.387 0.000 3.102 199 I HA 0.226 4.397 4.170 0.002 0.000 0.278 199 I C 0.962 176.917 176.117 -0.270 0.000 1.316 199 I CA 1.059 62.109 61.300 -0.416 0.000 1.425 199 I CB -0.709 36.872 38.000 -0.697 0.000 1.073 199 I HN 0.334 nan 8.210 nan 0.000 0.503 200 A N 1.088 123.841 122.820 -0.112 0.000 3.367 200 A HA 0.732 5.053 4.320 0.002 0.000 0.208 200 A C 0.056 177.722 177.584 0.135 0.000 1.043 200 A CA 0.025 52.084 52.037 0.038 0.000 1.079 200 A CB -0.585 18.448 19.000 0.054 0.000 1.314 200 A HN 0.438 nan 8.150 nan 0.000 0.668 201 A N -0.186 122.674 122.820 0.067 0.000 2.309 201 A HA 0.702 5.023 4.320 0.002 0.000 0.298 201 A C 0.585 178.204 177.584 0.059 0.000 1.165 201 A CA -0.109 51.967 52.037 0.065 0.000 0.821 201 A CB 0.710 19.729 19.000 0.031 0.000 1.102 201 A HN 0.729 nan 8.150 nan 0.000 0.500 202 S N 1.670 117.405 115.700 0.058 0.000 2.592 202 S HA 0.359 4.830 4.470 0.002 0.000 0.243 202 S C 0.593 175.208 174.600 0.026 0.000 1.160 202 S CA 0.260 58.487 58.200 0.045 0.000 1.145 202 S CB -0.081 63.152 63.200 0.055 0.000 0.909 202 S HN 1.105 nan 8.310 nan 0.000 0.487 203 G N 1.489 110.301 108.800 0.020 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 0.045 174.951 174.900 0.009 0.000 1.325 203 G CA -0.414 44.692 45.100 0.011 0.000 1.378 203 G HN 0.456 nan 8.290 nan 0.000 0.595 219 E N 1.175 121.383 120.200 0.014 0.000 2.301 219 E HA -0.242 4.109 4.350 0.002 0.000 0.202 219 E C 0.845 177.463 176.600 0.030 0.000 1.017 219 E CA 1.952 58.369 56.400 0.028 0.000 0.831 219 E CB -0.054 29.665 29.700 0.030 0.000 0.742 219 E HN 0.554 nan 8.360 nan 0.000 0.491 220 D N -0.356 120.056 120.400 0.020 0.000 2.369 220 D HA -0.050 4.591 4.640 0.002 0.000 0.231 220 D C 1.933 178.244 176.300 0.019 0.000 0.967 220 D CA 0.420 54.434 54.000 0.023 0.000 0.905 220 D CB -0.387 40.424 40.800 0.018 0.000 1.044 220 D HN 0.236 nan 8.370 nan 0.000 0.487 221 Q N 0.985 120.787 119.800 0.003 0.000 2.077 221 Q HA -0.147 4.194 4.340 0.002 0.000 0.206 221 Q C 2.359 178.359 176.000 0.000 0.000 0.989 221 Q CA 0.902 56.699 55.803 -0.009 0.000 0.853 221 Q CB -0.189 28.527 28.738 -0.037 0.000 0.907 221 Q HN 0.265 nan 8.270 nan 0.000 0.418 222 I N 1.322 121.895 120.570 0.005 0.000 2.113 222 I HA -0.301 3.870 4.170 0.002 0.000 0.242 222 I C 2.488 178.631 176.117 0.044 0.000 1.064 222 I CA 1.535 62.847 61.300 0.021 0.000 1.320 222 I CB -0.845 37.175 38.000 0.033 0.000 1.028 222 I HN 0.242 nan 8.210 nan 0.000 0.406 223 I N -0.001 120.598 120.570 0.049 0.000 2.162 223 I HA -0.220 3.951 4.170 0.002 0.000 0.238 223 I C 2.550 178.706 176.117 0.065 0.000 1.076 223 I CA 1.078 62.417 61.300 0.064 0.000 1.353 223 I CB -0.703 37.333 38.000 0.061 0.000 1.063 223 I HN 0.134 nan 8.210 nan 0.000 0.408 224 S N 1.065 116.794 115.700 0.048 0.000 2.441 224 S HA -0.235 4.236 4.470 0.002 0.000 0.242 224 S C 2.145 176.775 174.600 0.050 0.000 1.018 224 S CA 1.266 59.494 58.200 0.046 0.000 0.988 224 S CB -0.416 62.804 63.200 0.034 0.000 0.778 224 S HN 0.548 nan 8.310 nan 0.000 0.498 225 A N 3.220 126.067 122.820 0.045 0.000 1.859 225 A HA -0.259 4.062 4.320 0.002 0.000 0.217 225 A C 1.955 179.581 177.584 0.070 0.000 1.198 225 A CA 1.901 53.960 52.037 0.037 0.000 0.629 225 A CB -0.917 18.103 19.000 0.033 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.545 119.326 118.700 0.135 0.000 2.027 226 N HA -0.173 4.568 4.740 0.002 0.000 0.200 226 N C -0.931 174.698 175.510 0.198 0.000 1.042 226 N CA 2.042 55.231 53.050 0.233 0.000 0.871 226 N CB -2.271 36.360 38.487 0.240 0.000 1.063 226 N HN 0.347 nan 8.380 nan 0.000 0.438 227 P HA -0.087 nan 4.420 nan 0.000 0.227 227 P C 1.547 178.902 177.300 0.091 0.000 1.145 227 P CA 0.667 63.839 63.100 0.120 0.000 0.769 227 P CB -0.001 31.751 31.700 0.086 0.000 0.769 228 L N -1.322 119.943 121.223 0.069 0.000 2.185 228 L HA 0.068 4.409 4.340 0.002 0.000 0.198 228 L C 2.096 179.040 176.870 0.122 0.000 1.079 228 L CA 1.290 56.174 54.840 0.073 0.000 0.780 228 L CB -1.442 40.617 42.059 -0.001 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.488 121.669 121.223 -0.070 0.000 2.051 229 L HA -0.256 4.085 4.340 0.002 0.000 0.214 229 L C 2.592 179.351 176.870 -0.186 0.000 1.076 229 L CA 1.769 56.409 54.840 -0.335 0.000 0.758 229 L CB -1.245 40.256 42.059 -0.929 0.000 0.890 229 L HN 0.437 nan 8.230 nan 0.000 0.433 230 E N -1.115 119.126 120.200 0.067 0.000 2.153 230 E HA -0.176 4.175 4.350 0.002 0.000 0.194 230 E C 2.167 178.922 176.600 0.259 0.000 0.988 230 E CA 1.090 57.682 56.400 0.320 0.000 0.811 230 E CB -0.113 29.813 29.700 0.378 0.000 0.746 230 E HN 0.524 nan 8.360 nan 0.000 0.466 231 A N 0.272 123.168 122.820 0.126 0.000 2.015 231 A HA -0.101 4.220 4.320 0.002 0.000 0.219 231 A C 1.655 179.077 177.584 -0.270 0.000 1.163 231 A CA 1.016 53.013 52.037 -0.067 0.000 0.646 231 A CB -0.333 18.461 19.000 -0.343 0.000 0.806 231 A HN 0.146 nan 8.150 nan 0.000 0.448 232 F N -1.219 118.747 119.950 0.026 0.000 2.559 232 F HA 0.251 4.779 4.527 0.002 0.000 0.286 232 F C 2.261 177.952 175.800 -0.182 0.000 1.108 232 F CA 0.733 58.711 58.000 -0.037 0.000 1.436 232 F CB -0.053 38.923 39.000 -0.040 0.000 1.130 232 F HN 0.243 nan 8.300 nan 0.000 0.584 233 G N -0.766 108.137 108.800 0.172 0.000 3.393 233 G HA2 0.159 4.120 3.960 0.002 0.000 0.255 233 G HA3 0.159 4.120 3.960 0.002 0.000 0.255 233 G C -0.294 174.918 174.900 0.519 0.000 1.097 233 G CA -0.038 45.144 45.100 0.137 0.000 0.780 233 G HN 0.072 nan 8.290 nan 0.000 0.540 234 N N -0.161 118.791 118.700 0.420 0.000 2.265 234 N HA 0.817 5.558 4.740 0.002 0.000 0.300 234 N C -0.493 174.800 175.510 -0.360 0.000 1.148 234 N CA -0.058 53.085 53.050 0.156 0.000 0.772 234 N CB 2.308 40.944 38.487 0.248 0.000 1.434 234 N HN 0.218 nan 8.380 nan 0.000 0.481 235 A N 0.158 122.773 122.820 -0.341 0.000 2.586 235 A HA 0.443 4.764 4.320 0.002 0.000 0.290 235 A C -1.414 176.139 177.584 -0.052 0.000 1.086 235 A CA -0.753 51.047 52.037 -0.395 0.000 0.665 235 A CB 1.052 19.771 19.000 -0.468 0.000 1.279 235 A HN 0.458 nan 8.150 nan 0.000 0.423 236 K N 1.572 121.988 120.400 0.027 0.000 2.338 236 K HA 0.354 4.675 4.320 0.002 0.000 0.290 236 K C -0.534 176.031 176.600 -0.059 0.000 1.069 236 K CA 0.392 56.688 56.287 0.015 0.000 0.941 236 K CB 0.046 32.537 32.500 -0.014 0.000 1.023 236 K HN 0.702 nan 8.250 nan 0.000 0.477 237 T N 2.135 116.659 114.554 -0.050 0.000 2.927 237 T HA 0.032 4.383 4.350 0.002 0.000 0.281 237 T C 1.249 175.905 174.700 -0.073 0.000 0.998 237 T CA -0.675 61.379 62.100 -0.076 0.000 1.019 237 T CB 1.763 70.591 68.868 -0.066 0.000 1.061 237 T HN 0.426 nan 8.240 nan 0.000 0.518 238 V N 1.407 121.266 119.914 -0.093 0.000 2.913 238 V HA -0.065 4.056 4.120 0.002 0.000 0.260 238 V C 2.124 178.177 176.094 -0.069 0.000 1.098 238 V CA 1.678 63.926 62.300 -0.086 0.000 1.121 238 V CB -0.547 31.214 31.823 -0.104 0.000 0.714 238 V HN 0.640 nan 8.190 nan 0.000 0.487 239 R N -0.518 119.943 120.500 -0.065 0.000 2.087 239 R HA 0.162 4.503 4.340 0.002 0.000 0.213 239 R C 0.901 177.190 176.300 -0.020 0.000 1.137 239 R CA 0.370 56.445 56.100 -0.042 0.000 1.022 239 R CB -0.074 30.202 30.300 -0.040 0.000 0.920 239 R HN 0.429 nan 8.270 nan 0.000 0.451 240 N N 0.069 118.762 118.700 -0.012 0.000 2.483 240 N HA 0.050 4.791 4.740 0.002 0.000 0.285 240 N C -0.396 175.120 175.510 0.011 0.000 1.210 240 N CA -0.112 52.944 53.050 0.009 0.000 0.931 240 N CB 1.597 40.102 38.487 0.029 0.000 1.220 240 N HN -0.152 nan 8.380 nan 0.000 0.542 241 D N -0.591 119.826 120.400 0.028 0.000 2.423 241 D HA 0.118 4.759 4.640 0.002 0.000 0.208 241 D C -0.390 175.971 176.300 0.103 0.000 1.068 241 D CA 0.529 54.550 54.000 0.035 0.000 0.860 241 D CB 0.190 40.996 40.800 0.009 0.000 0.992 241 D HN 0.407 nan 8.370 nan 0.000 0.504 242 N N -0.057 118.714 118.700 0.119 0.000 2.703 242 N HA 0.102 4.843 4.740 0.002 0.000 0.283 242 N C -1.399 174.204 175.510 0.154 0.000 1.851 242 N CA -0.059 53.118 53.050 0.211 0.000 0.826 242 N CB 0.653 39.256 38.487 0.193 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.221 115.539 115.700 0.100 0.000 2.565 243 S HA 0.267 4.738 4.470 0.002 0.000 0.276 243 S C 0.112 174.771 174.600 0.098 0.000 1.326 243 S CA -0.196 58.046 58.200 0.071 0.000 1.045 243 S CB 0.490 63.706 63.200 0.027 0.000 0.918 243 S HN 0.330 nan 8.310 nan 0.000 0.505 244 S N 3.250 119.005 115.700 0.090 0.000 2.430 244 S HA 0.206 4.677 4.470 0.002 0.000 0.282 244 S C 1.133 175.821 174.600 0.146 0.000 1.186 244 S CA -0.500 57.770 58.200 0.115 0.000 1.060 244 S CB 0.049 63.233 63.200 -0.026 0.000 0.966 244 S HN 0.601 nan 8.310 nan 0.000 0.501 245 R N 2.777 123.418 120.500 0.235 0.000 2.334 245 R HA 0.150 4.491 4.340 0.002 0.000 0.216 245 R C -0.047 176.376 176.300 0.204 0.000 0.905 245 R CA 0.180 56.393 56.100 0.188 0.000 1.064 245 R CB -0.166 30.222 30.300 0.147 0.000 1.046 245 R HN 0.650 nan 8.270 nan 0.000 0.508 246 F N -2.101 117.956 119.950 0.178 0.000 2.631 246 F HA 0.807 5.335 4.527 0.002 0.000 0.328 246 F C 0.149 176.089 175.800 0.233 0.000 1.067 246 F CA -1.614 56.511 58.000 0.207 0.000 0.969 246 F CB 0.643 39.803 39.000 0.267 0.000 1.332 246 F HN -0.172 nan 8.300 nan 0.000 0.490 247 G N 0.579 109.651 108.800 0.455 0.000 2.461 247 G HA2 0.621 4.582 3.960 0.002 0.000 0.329 247 G HA3 0.621 4.582 3.960 0.002 0.000 0.329 247 G C -1.791 173.456 174.900 0.578 0.000 1.170 247 G CA -0.981 44.355 45.100 0.393 0.000 0.935 247 G HN 1.100 nan 8.290 nan 0.000 0.492 248 K N -1.175 119.517 120.400 0.486 0.000 2.587 248 K HA 0.583 4.904 4.320 0.002 0.000 0.276 248 K C -2.474 174.441 176.600 0.525 0.000 0.956 248 K CA -0.916 55.665 56.287 0.490 0.000 0.857 248 K CB 2.072 34.832 32.500 0.434 0.000 1.431 248 K HN 0.382 nan 8.250 nan 0.000 0.420 249 F N 3.654 123.757 119.950 0.254 0.000 2.671 249 F HA 0.500 5.028 4.527 0.002 0.000 0.332 249 F C -1.587 174.271 175.800 0.097 0.000 1.189 249 F CA -0.900 57.221 58.000 0.203 0.000 0.988 249 F CB 1.041 40.222 39.000 0.303 0.000 1.258 249 F HN 0.456 nan 8.300 nan 0.000 0.471 250 I N 5.621 126.020 120.570 -0.284 0.000 2.359 250 I HA 0.499 4.670 4.170 0.002 0.000 0.294 250 I C -0.340 175.453 176.117 -0.540 0.000 0.987 250 I CA -0.752 60.354 61.300 -0.323 0.000 1.225 250 I CB 1.667 39.592 38.000 -0.125 0.000 1.366 250 I HN 0.430 nan 8.210 nan 0.000 0.466 251 R N 5.993 126.219 120.500 -0.456 0.000 2.275 251 R HA 0.530 4.871 4.340 0.002 0.000 0.326 251 R C -1.030 175.071 176.300 -0.332 0.000 0.973 251 R CA -0.481 55.317 56.100 -0.503 0.000 0.854 251 R CB 0.996 30.856 30.300 -0.732 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.468 123.871 120.570 -0.279 0.000 2.322 252 I HA 0.109 4.280 4.170 0.002 0.000 0.292 252 I C -0.046 175.795 176.117 -0.460 0.000 1.060 252 I CA -0.374 60.698 61.300 -0.380 0.000 1.309 252 I CB 0.528 38.234 38.000 -0.490 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.474 125.346 119.070 -0.330 0.000 2.846 253 H HA 0.318 4.875 4.556 0.002 0.000 0.278 253 H C -0.552 174.616 175.328 -0.267 0.000 1.117 253 H CA -0.084 55.875 56.048 -0.149 0.000 1.406 253 H CB 0.166 29.869 29.762 -0.099 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.010 121.061 119.950 0.168 0.000 2.380 254 F HA 0.321 4.849 4.527 0.002 0.000 0.325 254 F C 1.601 177.451 175.800 0.083 0.000 1.136 254 F CA 0.030 58.121 58.000 0.151 0.000 1.171 254 F CB 0.804 39.930 39.000 0.211 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.244 109.200 108.800 0.258 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 0.698 175.605 174.900 0.011 0.000 1.423 255 G CA -0.053 45.102 45.100 0.092 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.445 121.362 122.820 -0.021 0.000 1.903 256 A HA 0.081 4.402 4.320 0.002 0.000 0.213 256 A C 2.552 180.173 177.584 0.062 0.000 1.185 256 A CA 2.346 54.359 52.037 -0.039 0.000 0.628 256 A CB -1.134 17.847 19.000 -0.032 0.000 0.830 256 A HN 0.834 nan 8.150 nan 0.000 0.446 257 T N -3.147 111.449 114.554 0.070 0.000 2.622 257 T HA 0.232 4.583 4.350 0.002 0.000 0.266 257 T C 1.526 176.293 174.700 0.112 0.000 1.047 257 T CA 2.047 64.197 62.100 0.083 0.000 1.159 257 T CB -0.593 68.324 68.868 0.082 0.000 0.863 257 T HN 1.524 nan 8.240 nan 0.000 0.422 258 G N 0.234 109.131 108.800 0.161 0.000 2.870 258 G HA2 0.018 3.979 3.960 0.002 0.000 0.216 258 G HA3 0.018 3.979 3.960 0.002 0.000 0.216 258 G C -0.175 174.941 174.900 0.361 0.000 0.973 258 G CA -0.586 44.633 45.100 0.198 0.000 0.807 258 G HN 0.501 nan 8.290 nan 0.000 0.573 259 K N 0.985 121.562 120.400 0.295 0.000 2.130 259 K HA 0.533 4.855 4.320 0.002 0.000 0.268 259 K C 0.874 177.667 176.600 0.321 0.000 0.983 259 K CA -0.795 55.673 56.287 0.300 0.000 0.893 259 K CB 1.930 34.534 32.500 0.173 0.000 1.066 259 K HN 0.203 nan 8.250 nan 0.000 0.450 260 L N 1.498 122.908 121.223 0.312 0.000 2.640 260 L HA -0.248 4.093 4.340 0.002 0.000 0.300 260 L C 1.059 177.945 176.870 0.026 0.000 1.259 260 L CA 0.553 55.454 54.840 0.101 0.000 0.879 260 L CB 0.282 42.372 42.059 0.052 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.743 124.528 122.820 -0.058 0.000 1.895 261 A HA 0.386 4.707 4.320 0.002 0.000 0.198 261 A C 0.350 177.887 177.584 -0.077 0.000 1.709 261 A CA 0.290 52.303 52.037 -0.040 0.000 1.194 261 A CB 0.577 19.573 19.000 -0.007 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.944 113.701 115.700 -0.090 0.000 2.611 262 S HA 0.758 5.229 4.470 0.002 0.000 0.268 262 S C -0.618 173.950 174.600 -0.053 0.000 1.156 262 S CA -0.095 58.046 58.200 -0.099 0.000 0.817 262 S CB 1.540 64.625 63.200 -0.192 0.000 1.122 262 S HN 1.480 nan 8.310 nan 0.000 0.466 263 A N 0.481 123.265 122.820 -0.061 0.000 2.532 263 A HA 0.889 5.210 4.320 0.002 0.000 0.290 263 A C -1.922 175.620 177.584 -0.071 0.000 1.143 263 A CA -0.478 51.525 52.037 -0.057 0.000 0.728 263 A CB 1.691 20.633 19.000 -0.098 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.108 121.446 120.400 -0.103 0.000 2.354 264 D HA 0.351 4.992 4.640 0.002 0.000 0.230 264 D C -1.251 174.958 176.300 -0.151 0.000 1.361 264 D CA -0.020 53.901 54.000 -0.132 0.000 0.992 264 D CB 0.846 41.574 40.800 -0.120 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.452 121.938 120.570 -0.141 0.000 2.566 265 I HA 0.414 4.585 4.170 0.002 0.000 0.303 265 I C 0.272 176.311 176.117 -0.129 0.000 0.983 265 I CA -0.541 60.691 61.300 -0.114 0.000 1.235 265 I CB 1.823 39.758 38.000 -0.108 0.000 1.386 265 I HN 0.211 nan 8.210 nan 0.000 0.494 266 E N 2.192 122.339 120.200 -0.089 0.000 2.304 266 E HA 0.407 4.758 4.350 0.002 0.000 0.277 266 E C -1.575 174.844 176.600 -0.302 0.000 0.898 266 E CA -0.495 55.783 56.400 -0.205 0.000 0.764 266 E CB 2.152 31.762 29.700 -0.151 0.000 1.216 266 E HN 0.544 nan 8.360 nan 0.000 0.419 267 T N 2.717 117.037 114.554 -0.391 0.000 2.855 267 T HA 0.536 4.887 4.350 0.002 0.000 0.281 267 T C -1.409 173.313 174.700 0.037 0.000 1.007 267 T CA -0.348 61.720 62.100 -0.054 0.000 1.009 267 T CB 0.419 69.082 68.868 -0.342 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.871 121.518 120.300 0.578 0.000 2.442 268 Y HA 0.526 5.077 4.550 0.002 0.000 0.344 268 Y C 0.008 176.052 175.900 0.241 0.000 0.976 268 Y CA -1.724 56.602 58.100 0.377 0.000 1.040 268 Y CB 1.063 39.712 38.460 0.316 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.175 124.531 121.223 0.221 0.000 3.642 269 L HA -0.258 4.083 4.340 0.002 0.000 0.613 269 L C 0.570 177.477 176.870 0.061 0.000 1.064 269 L CA 0.096 54.971 54.840 0.057 0.000 1.039 269 L CB -0.462 41.630 42.059 0.054 0.000 1.226 269 L HN 0.702 nan 8.230 nan 0.000 0.764 270 L N 1.860 122.992 121.223 -0.150 0.000 2.591 270 L HA 0.212 4.553 4.340 0.002 0.000 0.228 270 L C 1.179 178.432 176.870 0.637 0.000 1.133 270 L CA 1.275 56.119 54.840 0.006 0.000 0.880 270 L CB -0.224 41.428 42.059 -0.678 0.000 1.033 270 L HN 0.558 nan 8.230 nan 0.000 0.450 271 E N -0.025 120.187 120.200 0.019 0.000 3.243 271 E HA -0.218 4.133 4.350 0.002 0.000 0.178 271 E C 0.662 177.344 176.600 0.137 0.000 1.421 271 E CA 0.294 56.727 56.400 0.055 0.000 0.787 271 E CB -0.573 29.170 29.700 0.071 0.000 1.099 271 E HN 0.467 nan 8.360 nan 0.000 0.396 272 K N -0.100 120.351 120.400 0.086 0.000 2.152 272 K HA -0.163 4.158 4.320 0.002 0.000 0.206 272 K C 1.877 178.520 176.600 0.073 0.000 1.048 272 K CA 1.661 58.000 56.287 0.086 0.000 0.933 272 K CB -0.064 32.503 32.500 0.111 0.000 0.721 272 K HN 0.405 nan 8.250 nan 0.000 0.447 273 S N 1.169 116.932 115.700 0.106 0.000 2.400 273 S HA -0.147 4.324 4.470 0.002 0.000 0.232 273 S C 1.743 176.389 174.600 0.076 0.000 1.025 273 S CA 0.939 59.174 58.200 0.059 0.000 0.993 273 S CB -0.266 62.986 63.200 0.087 0.000 0.808 273 S HN 0.309 nan 8.310 nan 0.000 0.478 274 R N 0.866 121.414 120.500 0.080 0.000 2.091 274 R HA -0.064 4.277 4.340 0.002 0.000 0.238 274 R C 2.202 178.490 176.300 -0.019 0.000 1.136 274 R CA 1.479 57.568 56.100 -0.018 0.000 0.959 274 R CB -1.073 29.034 30.300 -0.322 0.000 0.856 274 R HN 0.337 nan 8.270 nan 0.000 0.437 275 V N 0.313 120.240 119.914 0.023 0.000 2.527 275 V HA -0.260 3.861 4.120 0.002 0.000 0.255 275 V C 1.754 177.673 176.094 -0.291 0.000 1.081 275 V CA 2.184 64.402 62.300 -0.135 0.000 1.092 275 V CB -0.467 31.204 31.823 -0.254 0.000 0.673 275 V HN 0.426 nan 8.190 nan 0.000 0.470 276 T N -2.546 111.837 114.554 -0.285 0.000 2.958 276 T HA 0.325 4.676 4.350 0.002 0.000 0.256 276 T C -0.188 174.412 174.700 -0.166 0.000 0.983 276 T CA 0.001 61.798 62.100 -0.506 0.000 0.924 276 T CB 0.355 68.961 68.868 -0.436 0.000 1.136 276 T HN 0.298 nan 8.240 nan 0.000 0.506 277 F N 2.050 121.860 119.950 -0.232 0.000 2.692 277 F HA 0.630 5.158 4.527 0.002 0.000 0.320 277 F C -1.861 173.866 175.800 -0.122 0.000 1.123 277 F CA -0.891 57.017 58.000 -0.152 0.000 0.961 277 F CB 1.601 40.546 39.000 -0.091 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.509 122.749 119.800 -0.933 0.000 2.518 278 Q HA 0.325 4.666 4.340 0.002 0.000 0.254 278 Q C -2.167 173.243 176.000 -0.984 0.000 0.962 278 Q CA -0.785 54.583 55.803 -0.725 0.000 0.982 278 Q CB 1.675 30.204 28.738 -0.349 0.000 1.516 278 Q HN 0.787 nan 8.270 nan 0.000 0.426 279 L N 2.583 123.454 121.223 -0.586 0.000 2.472 279 L HA 0.197 4.538 4.340 0.002 0.000 0.260 279 L C -1.201 175.497 176.870 -0.287 0.000 1.209 279 L CA -1.555 53.050 54.840 -0.393 0.000 0.817 279 L CB 0.243 42.184 42.059 -0.197 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.151 nan 4.420 nan 0.000 0.218 280 P C 0.515 177.744 177.300 -0.118 0.000 1.148 280 P CA 1.247 64.263 63.100 -0.140 0.000 0.822 280 P CB 0.185 31.825 31.700 -0.100 0.000 0.784 281 A N -1.383 121.363 122.820 -0.123 0.000 2.348 281 A HA 0.108 4.429 4.320 0.002 0.000 0.224 281 A C 0.873 178.387 177.584 -0.117 0.000 1.227 281 A CA -0.001 51.973 52.037 -0.106 0.000 0.885 281 A CB -0.177 18.767 19.000 -0.094 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.173 119.942 120.200 -0.143 0.000 2.469 282 E HA 0.670 5.021 4.350 0.002 0.000 0.246 282 E C -0.320 176.185 176.600 -0.159 0.000 0.969 282 E CA -1.008 55.305 56.400 -0.146 0.000 0.881 282 E CB 0.990 30.597 29.700 -0.155 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.857 119.554 120.500 -0.149 0.000 2.752 283 R HA 0.457 4.798 4.340 0.002 0.000 0.271 283 R C -0.823 175.437 176.300 -0.067 0.000 1.026 283 R CA -0.673 55.358 56.100 -0.114 0.000 0.901 283 R CB 1.615 31.788 30.300 -0.211 0.000 1.243 283 R HN 0.437 nan 8.270 nan 0.000 0.463 284 S N -0.283 115.485 115.700 0.114 0.000 2.640 284 S HA 0.296 4.767 4.470 0.002 0.000 0.262 284 S C -0.411 174.244 174.600 0.092 0.000 1.232 284 S CA -0.550 57.664 58.200 0.024 0.000 0.988 284 S CB 0.051 63.294 63.200 0.071 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.431 121.837 120.300 0.176 0.000 2.812 285 Y HA -0.024 4.527 4.550 0.002 0.000 0.348 285 Y C 2.008 177.981 175.900 0.122 0.000 1.274 285 Y CA 0.709 58.828 58.100 0.031 0.000 1.489 285 Y CB 0.185 38.665 38.460 0.033 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.385 120.613 119.070 0.262 0.000 2.326 286 H HA -0.152 4.406 4.556 0.002 0.000 0.301 286 H C 2.357 177.720 175.328 0.059 0.000 1.081 286 H CA 1.669 57.840 56.048 0.206 0.000 1.334 286 H CB -0.456 29.363 29.762 0.095 0.000 1.385 286 H HN 0.810 nan 8.280 nan 0.000 0.504 287 I N 0.777 121.284 120.570 -0.104 0.000 2.161 287 I HA -0.406 3.765 4.170 0.002 0.000 0.246 287 I C 1.923 177.868 176.117 -0.288 0.000 1.048 287 I CA 1.606 62.665 61.300 -0.402 0.000 1.314 287 I CB -0.291 37.144 38.000 -0.941 0.000 1.014 287 I HN -0.044 nan 8.210 nan 0.000 0.418 288 F N -0.210 119.639 119.950 -0.167 0.000 2.069 288 F HA -0.236 4.292 4.527 0.002 0.000 0.298 288 F C 2.221 177.804 175.800 -0.362 0.000 1.113 288 F CA 1.911 59.701 58.000 -0.350 0.000 1.214 288 F CB -1.322 37.308 39.000 -0.617 0.000 0.978 288 F HN 0.111 nan 8.300 nan 0.000 0.474 289 Y N -0.585 119.825 120.300 0.183 0.000 2.373 289 Y HA -0.126 4.425 4.550 0.002 0.000 0.293 289 Y C 2.455 178.379 175.900 0.039 0.000 1.129 289 Y CA 0.780 58.931 58.100 0.085 0.000 1.226 289 Y CB -1.072 37.433 38.460 0.075 0.000 1.000 289 Y HN 0.115 nan 8.280 nan 0.000 0.549 290 Q N 0.505 120.392 119.800 0.145 0.000 1.967 290 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 290 Q C 2.260 178.282 176.000 0.036 0.000 0.985 290 Q CA 2.018 57.861 55.803 0.067 0.000 0.839 290 Q CB -0.339 28.408 28.738 0.015 0.000 0.906 290 Q HN 0.443 nan 8.270 nan 0.000 0.423 291 I N 0.163 120.740 120.570 0.011 0.000 2.185 291 I HA -0.345 3.826 4.170 0.002 0.000 0.246 291 I C 2.058 178.162 176.117 -0.022 0.000 1.088 291 I CA 1.429 62.721 61.300 -0.013 0.000 1.347 291 I CB -0.223 37.769 38.000 -0.012 0.000 1.041 291 I HN 0.431 nan 8.210 nan 0.000 0.415 292 M N 0.029 119.625 119.600 -0.007 0.000 2.659 292 M HA -0.063 4.418 4.480 0.002 0.000 0.243 292 M C 2.212 178.532 176.300 0.033 0.000 1.111 292 M CA 0.730 56.031 55.300 0.001 0.000 1.070 292 M CB -0.227 32.370 32.600 -0.006 0.000 1.525 292 M HN 0.287 nan 8.290 nan 0.000 0.517 293 S N 0.681 116.403 115.700 0.037 0.000 2.402 293 S HA -0.149 4.322 4.470 0.002 0.000 0.229 293 S C 0.954 175.567 174.600 0.021 0.000 1.021 293 S CA 1.367 59.590 58.200 0.038 0.000 0.974 293 S CB -0.422 62.798 63.200 0.034 0.000 0.800 293 S HN 0.716 nan 8.310 nan 0.000 0.484 294 N N -0.509 118.194 118.700 0.005 0.000 2.989 294 N HA -0.137 4.604 4.740 0.002 0.000 0.247 294 N C 0.403 175.908 175.510 -0.008 0.000 1.119 294 N CA 0.729 53.777 53.050 -0.003 0.000 0.755 294 N CB -1.167 37.325 38.487 0.010 0.000 1.100 294 N HN 0.525 nan 8.380 nan 0.000 0.550 295 K N 0.729 121.121 120.400 -0.013 0.000 2.365 295 K HA 0.131 4.452 4.320 0.002 0.000 0.197 295 K C -0.148 176.438 176.600 -0.023 0.000 1.042 295 K CA 0.786 57.066 56.287 -0.012 0.000 0.987 295 K CB 0.363 32.859 32.500 -0.006 0.000 0.779 295 K HN 0.134 nan 8.250 nan 0.000 0.484 296 K N 0.908 121.283 120.400 -0.042 0.000 2.842 296 K HA 0.173 4.494 4.320 0.002 0.000 0.176 296 K C -2.426 174.133 176.600 -0.069 0.000 1.080 296 K CA -1.537 54.712 56.287 -0.064 0.000 0.954 296 K CB 1.604 34.038 32.500 -0.110 0.000 1.203 296 K HN -0.046 nan 8.250 nan 0.000 0.611 297 P HA -0.238 nan 4.420 nan 0.000 0.217 297 P C 0.551 177.831 177.300 -0.033 0.000 1.148 297 P CA 1.469 64.552 63.100 -0.029 0.000 0.834 297 P CB 0.358 32.051 31.700 -0.012 0.000 0.783 298 E N -0.265 119.910 120.200 -0.041 0.000 2.097 298 E HA -0.194 4.157 4.350 0.002 0.000 0.196 298 E C 1.990 178.559 176.600 -0.052 0.000 1.000 298 E CA 0.912 57.290 56.400 -0.037 0.000 0.804 298 E CB -1.343 28.332 29.700 -0.042 0.000 0.740 298 E HN 0.119 nan 8.360 nan 0.000 0.454 299 L N 0.364 121.522 121.223 -0.109 0.000 2.021 299 L HA -0.215 4.127 4.340 0.002 0.000 0.215 299 L C 2.234 179.058 176.870 -0.076 0.000 1.074 299 L CA 1.528 56.270 54.840 -0.163 0.000 0.760 299 L CB -0.609 41.273 42.059 -0.294 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.624 119.917 120.570 -0.048 0.000 2.264 300 I HA -0.304 3.867 4.170 0.002 0.000 0.248 300 I C 2.069 178.208 176.117 0.037 0.000 1.111 300 I CA 1.568 62.865 61.300 -0.005 0.000 1.382 300 I CB -0.386 37.616 38.000 0.003 0.000 1.060 300 I HN 0.341 nan 8.210 nan 0.000 0.418 301 D N -0.541 119.878 120.400 0.030 0.000 2.213 301 D HA -0.112 4.529 4.640 0.002 0.000 0.205 301 D C 2.119 178.461 176.300 0.070 0.000 0.961 301 D CA 0.917 54.946 54.000 0.049 0.000 0.853 301 D CB -0.063 40.756 40.800 0.032 0.000 0.967 301 D HN 0.364 nan 8.370 nan 0.000 0.496 302 M N 0.354 119.986 119.600 0.054 0.000 2.132 302 M HA -0.148 4.333 4.480 0.002 0.000 0.263 302 M C 1.334 177.712 176.300 0.129 0.000 1.065 302 M CA 1.311 56.658 55.300 0.079 0.000 1.122 302 M CB 0.177 32.792 32.600 0.025 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.251 121.540 121.223 0.110 0.000 2.446 303 L HA 0.241 4.582 4.340 0.002 0.000 0.219 303 L C 0.686 177.716 176.870 0.267 0.000 1.116 303 L CA 0.815 55.754 54.840 0.165 0.000 0.844 303 L CB -0.379 41.741 42.059 0.103 0.000 0.970 303 L HN 0.469 nan 8.230 nan 0.000 0.457 304 L N -0.524 120.826 121.223 0.212 0.000 3.487 304 L HA -0.206 4.135 4.340 0.002 0.000 0.450 304 L C -0.268 176.805 176.870 0.337 0.000 1.290 304 L CA 0.096 55.081 54.840 0.242 0.000 0.874 304 L CB -2.043 40.146 42.059 0.216 0.000 1.804 304 L HN 0.188 nan 8.230 nan 0.000 0.831 305 I N -4.526 116.178 120.570 0.224 0.000 3.445 305 I HA 0.880 5.051 4.170 0.002 0.000 0.303 305 I C 0.822 177.062 176.117 0.204 0.000 1.129 305 I CA -0.448 61.000 61.300 0.247 0.000 0.989 305 I CB 1.783 39.769 38.000 -0.024 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.345 112.378 114.554 0.282 0.000 2.876 306 T HA 0.389 4.740 4.350 0.002 0.000 0.277 306 T C 0.730 175.513 174.700 0.139 0.000 0.997 306 T CA 0.190 62.410 62.100 0.201 0.000 0.966 306 T CB 1.210 70.212 68.868 0.223 0.000 1.312 306 T HN 0.831 nan 8.240 nan 0.000 0.598 307 T N -2.669 111.957 114.554 0.121 0.000 3.001 307 T HA 0.207 4.558 4.350 0.002 0.000 0.251 307 T C 0.570 175.341 174.700 0.118 0.000 1.040 307 T CA -0.295 61.858 62.100 0.088 0.000 0.985 307 T CB -0.308 68.601 68.868 0.068 0.000 1.011 307 T HN 0.533 nan 8.240 nan 0.000 0.509 308 N N 2.726 121.526 118.700 0.166 0.000 2.439 308 N HA 0.322 5.063 4.740 0.002 0.000 0.249 308 N C -2.222 173.436 175.510 0.247 0.000 1.003 308 N CA -2.611 50.558 53.050 0.198 0.000 0.942 308 N CB 1.836 40.441 38.487 0.196 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 0.272 177.618 177.300 0.076 0.000 1.153 309 P CA 0.927 64.093 63.100 0.111 0.000 0.777 309 P CB -0.041 31.624 31.700 -0.059 0.000 0.794 310 Y N -0.426 119.960 120.300 0.144 0.000 2.584 310 Y HA -0.044 4.507 4.550 0.002 0.000 0.317 310 Y C 1.446 177.352 175.900 0.009 0.000 1.208 310 Y CA 0.692 58.841 58.100 0.081 0.000 1.299 310 Y CB -0.826 37.664 38.460 0.051 0.000 1.047 310 Y HN -0.041 nan 8.280 nan 0.000 0.506 311 D N -1.653 118.790 120.400 0.071 0.000 2.369 311 D HA 0.028 4.669 4.640 0.002 0.000 0.211 311 D C -0.755 175.028 176.300 -0.861 0.000 1.077 311 D CA 0.495 54.267 54.000 -0.380 0.000 0.842 311 D CB 0.158 40.649 40.800 -0.514 0.000 0.947 311 D HN 0.226 nan 8.370 nan 0.000 0.509 312 Y N -0.150 120.150 120.300 -0.001 0.000 2.705 312 Y HA 0.186 4.737 4.550 0.002 0.000 0.355 312 Y C 1.105 177.003 175.900 -0.003 0.000 1.039 312 Y CA -1.021 57.048 58.100 -0.052 0.000 1.233 312 Y CB 0.186 38.559 38.460 -0.146 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.160 120.235 119.070 0.007 0.000 2.330 313 H HA -0.306 4.251 4.556 0.002 0.000 0.290 313 H C 1.335 176.752 175.328 0.149 0.000 1.111 313 H CA 2.547 58.628 56.048 0.055 0.000 1.226 313 H CB -0.020 29.746 29.762 0.007 0.000 1.355 313 H HN 0.607 nan 8.280 nan 0.000 0.485 314 Y N -0.340 119.851 120.300 -0.182 0.000 2.193 314 Y HA -0.143 4.408 4.550 0.002 0.000 0.285 314 Y C 2.731 178.447 175.900 -0.306 0.000 1.166 314 Y CA 1.590 59.529 58.100 -0.269 0.000 1.181 314 Y CB -0.811 37.548 38.460 -0.168 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.146 117.693 119.914 -0.125 0.000 3.319 315 V HA 0.312 4.434 4.120 0.002 0.000 0.317 315 V C 0.570 176.633 176.094 -0.050 0.000 1.411 315 V CA 0.671 62.842 62.300 -0.216 0.000 1.112 315 V CB -0.203 31.282 31.823 -0.565 0.000 1.031 315 V HN 0.321 nan 8.190 nan 0.000 0.448 316 S N -1.546 114.116 115.700 -0.063 0.000 2.901 316 S HA 0.348 4.819 4.470 0.002 0.000 0.248 316 S C 0.777 175.345 174.600 -0.053 0.000 1.021 316 S CA -0.272 57.869 58.200 -0.099 0.000 1.090 316 S CB 0.461 63.506 63.200 -0.258 0.000 1.039 316 S HN 0.523 nan 8.310 nan 0.000 0.514 317 Q N 0.507 120.250 119.800 -0.095 0.000 2.331 317 Q HA 0.210 4.551 4.340 0.002 0.000 0.203 317 Q C 1.468 177.397 176.000 -0.119 0.000 0.944 317 Q CA 1.033 56.773 55.803 -0.104 0.000 0.892 317 Q CB 0.171 28.771 28.738 -0.230 0.000 0.983 317 Q HN 0.761 nan 8.270 nan 0.000 0.482 318 G N 0.190 108.905 108.800 -0.142 0.000 3.198 318 G HA2 0.163 4.124 3.960 0.002 0.000 0.203 318 G HA3 0.163 4.124 3.960 0.002 0.000 0.203 318 G C -0.126 174.714 174.900 -0.099 0.000 1.950 318 G CA -0.313 44.701 45.100 -0.143 0.000 0.798 318 G HN -0.014 nan 8.290 nan 0.000 0.720 319 E N -0.785 119.333 120.200 -0.136 0.000 2.249 319 E HA 0.531 4.882 4.350 0.002 0.000 0.263 319 E C 0.459 176.898 176.600 -0.268 0.000 0.950 319 E CA -0.587 55.721 56.400 -0.153 0.000 0.827 319 E CB 2.661 32.273 29.700 -0.147 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.388 120.011 120.570 -0.285 0.000 3.971 320 I HA 0.023 4.194 4.170 0.002 0.000 0.303 320 I C 0.965 176.817 176.117 -0.442 0.000 1.233 320 I CA 0.514 61.565 61.300 -0.414 0.000 1.346 320 I CB 1.010 38.884 38.000 -0.210 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.117 115.527 114.554 -0.241 0.000 2.863 321 T HA 0.663 5.014 4.350 0.002 0.000 0.285 321 T C -1.121 173.492 174.700 -0.145 0.000 1.009 321 T CA -0.480 61.516 62.100 -0.174 0.000 0.989 321 T CB 1.544 70.363 68.868 -0.082 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.755 127.592 119.914 -0.128 0.000 2.483 322 V HA 0.343 4.464 4.120 0.002 0.000 0.297 322 V C -1.629 174.423 176.094 -0.071 0.000 1.027 322 V CA -1.667 60.575 62.300 -0.096 0.000 0.855 322 V CB 1.785 33.548 31.823 -0.099 0.000 0.995 322 V HN 0.719 nan 8.190 nan 0.000 0.424 323 P HA -0.156 nan 4.420 nan 0.000 0.215 323 P C 1.647 178.924 177.300 -0.039 0.000 1.153 323 P CA 1.711 64.787 63.100 -0.040 0.000 0.853 323 P CB 0.165 31.845 31.700 -0.033 0.000 0.788 324 S N -1.103 114.572 115.700 -0.041 0.000 2.603 324 S HA 0.009 4.480 4.470 0.002 0.000 0.229 324 S C 0.809 175.381 174.600 -0.047 0.000 0.972 324 S CA -0.059 58.119 58.200 -0.037 0.000 0.935 324 S CB -1.236 61.946 63.200 -0.030 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.607 121.139 120.570 -0.064 0.000 2.474 325 I HA 0.514 4.685 4.170 0.002 0.000 0.294 325 I C -1.095 174.981 176.117 -0.069 0.000 1.005 325 I CA -0.907 60.341 61.300 -0.087 0.000 1.113 325 I CB 1.675 39.588 38.000 -0.145 0.000 1.289 325 I HN -0.127 nan 8.210 nan 0.000 0.436 326 D N 4.623 124.987 120.400 -0.060 0.000 2.479 326 D HA 0.167 4.808 4.640 0.002 0.000 0.247 326 D C 0.730 177.009 176.300 -0.035 0.000 1.119 326 D CA -0.231 53.747 54.000 -0.037 0.000 0.922 326 D CB 0.643 41.429 40.800 -0.024 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.881 122.263 120.400 -0.029 0.000 2.203 327 D HA -0.219 4.422 4.640 0.002 0.000 0.199 327 D C 1.519 177.821 176.300 0.003 0.000 0.997 327 D CA 1.098 55.093 54.000 -0.007 0.000 0.863 327 D CB 0.366 41.187 40.800 0.035 0.000 0.928 327 D HN 0.635 nan 8.370 nan 0.000 0.458 328 Q N 0.498 120.298 119.800 0.002 0.000 2.079 328 Q HA -0.123 4.218 4.340 0.002 0.000 0.200 328 Q C 2.039 178.040 176.000 0.002 0.000 0.974 328 Q CA 0.792 56.597 55.803 0.004 0.000 0.840 328 Q CB -0.148 28.592 28.738 0.003 0.000 0.898 328 Q HN 0.434 nan 8.270 nan 0.000 0.430 329 E N 0.531 120.729 120.200 -0.003 0.000 2.072 329 E HA -0.146 4.205 4.350 0.002 0.000 0.190 329 E C 1.992 178.594 176.600 0.003 0.000 0.982 329 E CA 0.603 57.003 56.400 -0.000 0.000 0.803 329 E CB 0.311 30.009 29.700 -0.005 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.741 120.937 120.200 -0.006 0.000 2.077 330 E HA -0.211 4.140 4.350 0.002 0.000 0.193 330 E C 2.309 178.914 176.600 0.009 0.000 0.989 330 E CA 0.532 56.929 56.400 -0.004 0.000 0.800 330 E CB -0.398 29.284 29.700 -0.030 0.000 0.746 330 E HN 0.292 nan 8.360 nan 0.000 0.452 331 L N 0.664 121.895 121.223 0.013 0.000 2.051 331 L HA -0.247 4.094 4.340 0.002 0.000 0.214 331 L C 2.523 179.422 176.870 0.049 0.000 1.076 331 L CA 1.362 56.222 54.840 0.032 0.000 0.758 331 L CB -0.149 41.926 42.059 0.027 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.464 118.156 119.600 0.034 0.000 2.156 332 M HA -0.097 4.384 4.480 0.002 0.000 0.264 332 M C 2.517 178.840 176.300 0.038 0.000 1.067 332 M CA 1.537 56.860 55.300 0.038 0.000 1.131 332 M CB -1.315 31.300 32.600 0.025 0.000 1.368 332 M HN 0.369 nan 8.290 nan 0.000 0.416 333 A N 0.961 123.799 122.820 0.029 0.000 1.892 333 A HA -0.184 4.137 4.320 0.002 0.000 0.218 333 A C 2.381 179.986 177.584 0.033 0.000 1.188 333 A CA 2.653 54.709 52.037 0.031 0.000 0.631 333 A CB -1.338 17.679 19.000 0.028 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.257 114.315 114.554 0.029 0.000 2.622 334 T HA -0.180 4.171 4.350 0.002 0.000 0.266 334 T C 1.797 176.512 174.700 0.024 0.000 1.047 334 T CA 1.457 63.569 62.100 0.019 0.000 1.159 334 T CB -0.497 68.368 68.868 -0.004 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 1.003 121.440 120.400 0.062 0.000 2.137 335 D HA -0.128 4.513 4.640 0.002 0.000 0.189 335 D C 2.340 178.673 176.300 0.056 0.000 0.998 335 D CA 1.878 55.936 54.000 0.096 0.000 0.839 335 D CB -0.272 40.609 40.800 0.136 0.000 0.962 335 D HN 0.352 nan 8.370 nan 0.000 0.446 336 S N 0.747 116.478 115.700 0.050 0.000 2.387 336 S HA -0.172 4.299 4.470 0.002 0.000 0.230 336 S C 2.235 176.858 174.600 0.038 0.000 1.035 336 S CA 1.437 59.662 58.200 0.041 0.000 1.014 336 S CB -0.477 62.745 63.200 0.036 0.000 0.836 336 S HN 0.480 nan 8.310 nan 0.000 0.466 337 A N 1.734 124.574 122.820 0.034 0.000 1.902 337 A HA -0.035 4.286 4.320 0.002 0.000 0.217 337 A C 2.116 179.728 177.584 0.047 0.000 1.181 337 A CA 1.235 53.293 52.037 0.036 0.000 0.623 337 A CB -0.775 18.245 19.000 0.033 0.000 0.818 337 A HN 0.483 nan 8.150 nan 0.000 0.443 338 I N -0.016 120.565 120.570 0.019 0.000 2.127 338 I HA -0.302 3.869 4.170 0.002 0.000 0.241 338 I C 2.091 178.298 176.117 0.150 0.000 1.075 338 I CA 1.763 63.072 61.300 0.015 0.000 1.334 338 I CB -0.580 37.337 38.000 -0.139 0.000 1.040 338 I HN 0.359 nan 8.210 nan 0.000 0.405 339 D N 1.022 121.471 120.400 0.083 0.000 2.103 339 D HA -0.208 4.433 4.640 0.002 0.000 0.190 339 D C 2.226 178.562 176.300 0.061 0.000 0.997 339 D CA 1.648 55.695 54.000 0.078 0.000 0.833 339 D CB -0.318 40.514 40.800 0.053 0.000 0.961 339 D HN 0.364 nan 8.370 nan 0.000 0.447 340 I N 0.762 121.359 120.570 0.046 0.000 2.335 340 I HA -0.247 3.924 4.170 0.002 0.000 0.251 340 I C 2.225 178.345 176.117 0.004 0.000 1.129 340 I CA 0.616 61.929 61.300 0.021 0.000 1.402 340 I CB -0.164 37.848 38.000 0.020 0.000 1.069 340 I HN -0.041 nan 8.210 nan 0.000 0.424 341 L N 0.555 121.801 121.223 0.039 0.000 2.633 341 L HA -0.017 4.324 4.340 0.002 0.000 0.235 341 L C 1.639 178.424 176.870 -0.143 0.000 1.163 341 L CA 0.883 55.717 54.840 -0.010 0.000 0.859 341 L CB -0.606 41.494 42.059 0.068 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.240 107.522 108.800 -0.063 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 0.222 175.038 174.900 -0.141 0.000 0.981 342 G CA -0.474 44.552 45.100 -0.123 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.537 121.414 119.950 -0.120 0.000 2.506 343 F HA 0.520 5.048 4.527 0.002 0.000 0.351 343 F C 1.371 177.136 175.800 -0.059 0.000 1.136 343 F CA 0.750 58.676 58.000 -0.124 0.000 1.298 343 F CB 1.170 40.076 39.000 -0.155 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.751 117.559 115.700 0.179 0.000 2.576 344 S HA 0.358 4.829 4.470 0.002 0.000 0.276 344 S C 1.092 175.767 174.600 0.125 0.000 1.339 344 S CA -0.148 58.124 58.200 0.119 0.000 1.039 344 S CB 0.936 64.200 63.200 0.107 0.000 0.902 344 S HN 0.778 nan 8.310 nan 0.000 0.516 345 A N 3.607 126.480 122.820 0.087 0.000 1.908 345 A HA -0.121 4.200 4.320 0.002 0.000 0.218 345 A C 1.767 179.400 177.584 0.081 0.000 1.181 345 A CA 2.273 54.358 52.037 0.080 0.000 0.627 345 A CB -1.240 17.799 19.000 0.064 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.565 119.879 120.400 0.074 0.000 2.103 346 D HA -0.196 4.446 4.640 0.002 0.000 0.190 346 D C 1.973 178.321 176.300 0.080 0.000 0.997 346 D CA 1.940 55.978 54.000 0.064 0.000 0.833 346 D CB -0.148 40.688 40.800 0.060 0.000 0.961 346 D HN 0.642 nan 8.370 nan 0.000 0.447 347 E N -0.093 120.191 120.200 0.141 0.000 2.077 347 E HA -0.218 4.133 4.350 0.002 0.000 0.193 347 E C 1.980 178.642 176.600 0.104 0.000 0.989 347 E CA 0.909 57.448 56.400 0.232 0.000 0.800 347 E CB -0.157 29.825 29.700 0.471 0.000 0.746 347 E HN 0.294 nan 8.360 nan 0.000 0.452 348 K N 0.681 121.112 120.400 0.052 0.000 2.442 348 K HA -0.092 4.229 4.320 0.002 0.000 0.198 348 K C 1.431 178.045 176.600 0.022 0.000 1.044 348 K CA 1.315 57.565 56.287 -0.060 0.000 0.948 348 K CB 0.143 32.628 32.500 -0.025 0.000 0.762 348 K HN -0.015 nan 8.250 nan 0.000 0.472 349 T N 0.123 114.720 114.554 0.071 0.000 3.010 349 T HA 0.134 4.485 4.350 0.002 0.000 0.252 349 T C 1.836 176.570 174.700 0.057 0.000 1.047 349 T CA 0.659 62.824 62.100 0.109 0.000 1.140 349 T CB 0.045 68.958 68.868 0.075 0.000 0.885 349 T HN 0.368 nan 8.240 nan 0.000 0.464 350 A N 2.003 124.826 122.820 0.006 0.000 1.883 350 A HA -0.059 4.262 4.320 0.002 0.000 0.217 350 A C 2.237 179.780 177.584 -0.069 0.000 1.186 350 A CA 1.217 53.222 52.037 -0.052 0.000 0.624 350 A CB -0.872 18.070 19.000 -0.096 0.000 0.822 350 A HN 0.449 nan 8.150 nan 0.000 0.444 351 I N -1.742 118.775 120.570 -0.088 0.000 2.118 351 I HA -0.326 3.845 4.170 0.002 0.000 0.241 351 I C 2.532 178.590 176.117 -0.098 0.000 1.070 351 I CA 2.036 63.232 61.300 -0.174 0.000 1.327 351 I CB -0.910 36.880 38.000 -0.350 0.000 1.034 351 I HN 0.416 nan 8.210 nan 0.000 0.405 352 Y N 1.143 121.431 120.300 -0.021 0.000 2.084 352 Y HA -0.205 4.346 4.550 0.002 0.000 0.279 352 Y C 2.684 178.582 175.900 -0.003 0.000 1.119 352 Y CA 1.478 59.575 58.100 -0.004 0.000 1.101 352 Y CB -0.811 37.646 38.460 -0.006 0.000 0.989 352 Y HN -0.009 nan 8.280 nan 0.000 0.484 353 K N -0.547 119.947 120.400 0.156 0.000 2.107 353 K HA -0.242 4.079 4.320 0.002 0.000 0.211 353 K C 1.855 178.484 176.600 0.050 0.000 1.049 353 K CA 1.644 57.978 56.287 0.078 0.000 0.927 353 K CB -0.497 32.005 32.500 0.004 0.000 0.714 353 K HN 0.128 nan 8.250 nan 0.000 0.452 354 L N 0.626 121.850 121.223 0.002 0.000 2.156 354 L HA -0.108 4.233 4.340 0.002 0.000 0.208 354 L C 2.013 178.898 176.870 0.025 0.000 1.095 354 L CA 1.798 56.615 54.840 -0.038 0.000 0.770 354 L CB -0.777 41.214 42.059 -0.113 0.000 0.914 354 L HN 0.135 nan 8.230 nan 0.000 0.439 355 T N -1.399 113.200 114.554 0.075 0.000 3.035 355 T HA -0.015 4.336 4.350 0.002 0.000 0.268 355 T C 1.631 176.469 174.700 0.231 0.000 1.109 355 T CA 0.961 63.156 62.100 0.159 0.000 1.119 355 T CB -0.198 68.732 68.868 0.104 0.000 0.900 355 T HN 0.498 nan 8.240 nan 0.000 0.503 356 G N 0.642 109.539 108.800 0.162 0.000 2.545 356 G HA2 0.260 4.221 3.960 0.002 0.000 0.212 356 G HA3 0.260 4.221 3.960 0.002 0.000 0.212 356 G C 1.782 176.789 174.900 0.178 0.000 1.144 356 G CA 0.560 45.736 45.100 0.125 0.000 0.813 356 G HN 0.481 nan 8.290 nan 0.000 0.531 357 A N 0.783 123.722 122.820 0.198 0.000 1.892 357 A HA -0.049 4.272 4.320 0.002 0.000 0.218 357 A C 2.567 180.222 177.584 0.119 0.000 1.188 357 A CA 2.036 54.204 52.037 0.217 0.000 0.631 357 A CB -0.854 18.167 19.000 0.034 0.000 0.822 357 A HN 0.267 nan 8.150 nan 0.000 0.447 358 V N 0.190 120.107 119.914 0.005 0.000 2.324 358 V HA -0.368 3.753 4.120 0.002 0.000 0.250 358 V C 2.683 178.903 176.094 0.211 0.000 1.060 358 V CA 2.304 64.633 62.300 0.048 0.000 1.042 358 V CB -0.755 31.192 31.823 0.206 0.000 0.650 358 V HN 0.575 nan 8.190 nan 0.000 0.450 359 M N -0.943 118.738 119.600 0.135 0.000 2.086 359 M HA -0.198 4.283 4.480 0.002 0.000 0.261 359 M C 2.204 178.559 176.300 0.091 0.000 1.067 359 M CA 2.104 57.409 55.300 0.007 0.000 1.116 359 M CB -0.873 31.565 32.600 -0.270 0.000 1.348 359 M HN 0.436 nan 8.290 nan 0.000 0.407 360 H N -1.029 118.193 119.070 0.253 0.000 2.387 360 H HA -0.182 4.375 4.556 0.002 0.000 0.299 360 H C 1.884 177.352 175.328 0.232 0.000 1.099 360 H CA 1.727 57.933 56.048 0.263 0.000 1.315 360 H CB -0.060 29.870 29.762 0.282 0.000 1.380 360 H HN 0.250 nan 8.280 nan 0.000 0.513 361 Y N 0.211 120.611 120.300 0.167 0.000 2.114 361 Y HA -0.170 4.381 4.550 0.002 0.000 0.282 361 Y C 2.764 178.577 175.900 -0.144 0.000 1.165 361 Y CA 1.399 59.566 58.100 0.111 0.000 1.148 361 Y CB -0.952 37.658 38.460 0.250 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 -0.527 0.000 2.586 362 G HA2 -0.226 3.735 3.960 0.002 0.000 0.215 362 G HA3 -0.226 3.735 3.960 0.002 0.000 0.215 362 G C 1.384 175.997 174.900 -0.479 0.000 1.128 362 G CA 0.911 45.133 45.100 -1.463 0.000 0.774 362 G HN 0.311 nan 8.290 nan 0.000 0.543 363 N N -0.654 117.929 118.700 -0.195 0.000 2.282 363 N HA 0.129 4.870 4.740 0.002 0.000 0.185 363 N C 0.261 175.722 175.510 -0.082 0.000 1.099 363 N CA -0.329 52.656 53.050 -0.108 0.000 0.878 363 N CB 0.226 38.681 38.487 -0.054 0.000 0.993 363 N HN 0.136 nan 8.380 nan 0.000 0.481 364 L N 1.391 122.585 121.223 -0.049 0.000 2.513 364 L HA 0.037 4.378 4.340 0.002 0.000 0.272 364 L C 0.269 177.092 176.870 -0.079 0.000 1.187 364 L CA 0.713 55.495 54.840 -0.097 0.000 0.895 364 L CB 0.182 42.223 42.059 -0.029 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.981 123.200 120.400 -0.301 0.000 2.328 365 K HA 0.742 5.063 4.320 0.002 0.000 0.246 365 K C -1.353 174.890 176.600 -0.594 0.000 0.955 365 K CA -0.283 55.912 56.287 -0.152 0.000 0.817 365 K CB 1.361 33.789 32.500 -0.119 0.000 1.208 365 K HN 0.210 nan 8.250 nan 0.000 0.432 366 F N 0.770 120.787 119.950 0.112 0.000 2.629 366 F HA 0.543 5.071 4.527 0.002 0.000 0.316 366 F C -0.451 175.325 175.800 -0.039 0.000 1.081 366 F CA -0.797 57.174 58.000 -0.048 0.000 0.954 366 F CB 1.952 40.820 39.000 -0.220 0.000 1.337 366 F HN 0.332 nan 8.300 nan 0.000 0.474 367 K N 0.672 121.162 120.400 0.150 0.000 2.508 367 K HA 0.435 4.756 4.320 0.002 0.000 0.260 367 K C -1.528 175.102 176.600 0.049 0.000 0.949 367 K CA -1.056 55.276 56.287 0.074 0.000 0.834 367 K CB 2.154 34.680 32.500 0.044 0.000 1.365 367 K HN 0.629 nan 8.250 nan 0.000 0.437 368 Q N 2.157 121.974 119.800 0.028 0.000 2.289 368 Q HA 0.022 4.363 4.340 0.002 0.000 0.273 368 Q C -0.568 175.445 176.000 0.022 0.000 1.029 368 Q CA 0.383 56.194 55.803 0.013 0.000 0.896 368 Q CB 1.052 29.797 28.738 0.013 0.000 1.182 368 Q HN 0.399 nan 8.270 nan 0.000 0.385 369 K N 2.711 123.125 120.400 0.023 0.000 2.295 369 K HA 0.004 4.325 4.320 0.002 0.000 0.270 369 K C -0.301 176.315 176.600 0.027 0.000 1.011 369 K CA -0.059 56.249 56.287 0.035 0.000 0.953 369 K CB 0.626 33.158 32.500 0.053 0.000 0.956 369 K HN 0.512 nan 8.250 nan 0.000 0.477 370 Q N 2.686 122.501 119.800 0.025 0.000 2.300 370 Q HA -0.025 4.316 4.340 0.002 0.000 0.280 370 Q C -0.155 175.856 176.000 0.019 0.000 1.033 370 Q CA 0.688 56.502 55.803 0.019 0.000 0.903 370 Q CB 0.500 29.247 28.738 0.016 0.000 1.195 370 Q HN 0.631 nan 8.270 nan 0.000 0.386 371 R N 0.087 120.596 120.500 0.016 0.000 3.977 371 R HA -0.199 4.142 4.340 0.002 0.000 0.428 371 R C -0.330 175.980 176.300 0.016 0.000 1.079 371 R CA 1.135 57.243 56.100 0.014 0.000 1.269 371 R CB -1.109 29.199 30.300 0.013 0.000 1.856 371 R HN 0.602 nan 8.270 nan 0.000 0.551 372 E N 0.209 120.420 120.200 0.019 0.000 2.336 372 E HA 0.237 4.588 4.350 0.002 0.000 0.267 372 E C -0.453 176.156 176.600 0.015 0.000 0.906 372 E CA -0.544 55.869 56.400 0.022 0.000 0.781 372 E CB 1.723 31.444 29.700 0.034 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.921 121.128 120.200 0.011 0.000 2.451 373 E HA 0.015 4.366 4.350 0.002 0.000 0.194 373 E C -0.239 176.351 176.600 -0.017 0.000 1.027 373 E CA -0.063 56.336 56.400 -0.000 0.000 0.914 373 E CB 0.649 30.349 29.700 0.001 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.158 119.954 119.800 -0.008 0.000 2.221 374 Q HA 0.482 4.823 4.340 0.002 0.000 0.242 374 Q C -0.953 175.008 176.000 -0.065 0.000 0.940 374 Q CA -0.402 55.378 55.803 -0.038 0.000 0.896 374 Q CB 1.342 30.090 28.738 0.017 0.000 1.226 374 Q HN 0.131 nan 8.270 nan 0.000 0.463 375 A N 2.602 125.329 122.820 -0.154 0.000 2.301 375 A HA 0.511 4.832 4.320 0.002 0.000 0.298 375 A C -0.994 176.520 177.584 -0.117 0.000 1.185 375 A CA -0.338 51.602 52.037 -0.161 0.000 0.830 375 A CB 0.324 19.131 19.000 -0.321 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.755 122.973 120.200 0.031 0.000 2.272 376 E HA 0.618 4.969 4.350 0.002 0.000 0.269 376 E C -3.033 173.688 176.600 0.202 0.000 0.877 376 E CA -2.302 54.156 56.400 0.097 0.000 0.755 376 E CB 1.984 31.734 29.700 0.085 0.000 1.192 376 E HN 0.304 nan 8.360 nan 0.000 0.422 377 P HA -0.006 nan 4.420 nan 0.000 0.264 377 P C -0.420 176.834 177.300 -0.078 0.000 1.183 377 P CA 0.156 63.272 63.100 0.026 0.000 0.763 377 P CB 0.501 32.195 31.700 -0.010 0.000 0.807 378 D N 1.859 122.127 120.400 -0.220 0.000 2.460 378 D HA 0.303 4.944 4.640 0.002 0.000 0.229 378 D C 0.444 176.657 176.300 -0.144 0.000 1.170 378 D CA 0.088 54.006 54.000 -0.137 0.000 0.827 378 D CB -0.517 40.213 40.800 -0.117 0.000 0.973 378 D HN 0.572 nan 8.370 nan 0.000 0.496 379 G N -0.697 108.015 108.800 -0.146 0.000 2.316 379 G HA2 0.096 4.057 3.960 0.002 0.000 0.468 379 G HA3 0.096 4.057 3.960 0.002 0.000 0.468 379 G C -0.302 174.524 174.900 -0.125 0.000 1.523 379 G CA -0.314 44.717 45.100 -0.114 0.000 0.972 379 G HN 0.104 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 62.105 62.100 -0.071 0.000 1.530 380 T CB 1.350 70.191 68.868 -0.044 0.000 0.958 380 T HN 0.534 nan 8.240 nan 0.000 0.684 381 E N 0.630 120.784 120.200 -0.075 0.000 2.207 381 E HA 0.066 4.417 4.350 0.002 0.000 0.197 381 E C 1.556 178.112 176.600 -0.073 0.000 0.914 381 E CA 0.463 56.824 56.400 -0.065 0.000 0.914 381 E CB 0.530 30.193 29.700 -0.062 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.239 121.104 119.914 -0.080 0.000 2.599 382 V HA -0.021 4.100 4.120 0.002 0.000 0.245 382 V C 2.347 178.392 176.094 -0.081 0.000 1.046 382 V CA 1.354 63.605 62.300 -0.082 0.000 1.065 382 V CB -0.220 31.583 31.823 -0.033 0.000 0.703 382 V HN 0.266 nan 8.190 nan 0.000 0.464 383 A N 0.164 122.938 122.820 -0.076 0.000 1.933 383 A HA -0.258 4.063 4.320 0.002 0.000 0.218 383 A C 1.955 179.533 177.584 -0.010 0.000 1.175 383 A CA 2.056 54.065 52.037 -0.047 0.000 0.628 383 A CB -0.588 18.375 19.000 -0.061 0.000 0.814 383 A HN 0.502 nan 8.150 nan 0.000 0.444 384 D N -0.074 120.309 120.400 -0.029 0.000 2.104 384 D HA -0.139 4.502 4.640 0.002 0.000 0.194 384 D C 2.006 178.318 176.300 0.019 0.000 0.994 384 D CA 1.602 55.597 54.000 -0.008 0.000 0.830 384 D CB -0.203 40.573 40.800 -0.039 0.000 0.959 384 D HN 0.574 nan 8.370 nan 0.000 0.452 385 K N 0.592 120.960 120.400 -0.054 0.000 2.031 385 K HA 0.046 4.367 4.320 0.002 0.000 0.205 385 K C 2.207 178.817 176.600 0.016 0.000 1.049 385 K CA 1.072 57.314 56.287 -0.075 0.000 0.939 385 K CB -0.098 32.176 32.500 -0.376 0.000 0.717 385 K HN 0.002 nan 8.250 nan 0.000 0.438 386 A N 1.884 124.712 122.820 0.013 0.000 1.902 386 A HA -0.126 4.195 4.320 0.002 0.000 0.217 386 A C 2.451 180.162 177.584 0.211 0.000 1.181 386 A CA 1.882 54.048 52.037 0.214 0.000 0.623 386 A CB -0.826 18.395 19.000 0.370 0.000 0.818 386 A HN 0.330 nan 8.150 nan 0.000 0.443 387 A N -1.286 121.631 122.820 0.162 0.000 1.883 387 A HA -0.140 4.181 4.320 0.002 0.000 0.217 387 A C 2.187 179.864 177.584 0.155 0.000 1.186 387 A CA 1.802 53.931 52.037 0.153 0.000 0.624 387 A CB -0.864 18.205 19.000 0.115 0.000 0.822 387 A HN 0.844 nan 8.150 nan 0.000 0.444 388 Y N -0.242 120.080 120.300 0.037 0.000 2.200 388 Y HA -0.087 4.464 4.550 0.002 0.000 0.290 388 Y C 1.828 177.750 175.900 0.037 0.000 1.137 388 Y CA 1.452 59.569 58.100 0.028 0.000 1.163 388 Y CB -0.325 38.141 38.460 0.011 0.000 0.988 388 Y HN 0.162 nan 8.280 nan 0.000 0.518 389 L N 0.218 121.389 121.223 -0.087 0.000 2.191 389 L HA -0.167 4.174 4.340 0.002 0.000 0.212 389 L C 2.033 178.821 176.870 -0.136 0.000 1.103 389 L CA 1.705 56.449 54.840 -0.161 0.000 0.769 389 L CB -0.771 41.329 42.059 0.068 0.000 0.908 389 L HN 0.405 nan 8.230 nan 0.000 0.438 390 M N -2.020 117.546 119.600 -0.057 0.000 2.441 390 M HA 0.252 4.733 4.480 0.002 0.000 0.244 390 M C 1.048 177.309 176.300 -0.065 0.000 1.122 390 M CA 0.586 55.847 55.300 -0.065 0.000 1.041 390 M CB 0.330 32.920 32.600 -0.016 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.974 110.731 108.800 -0.073 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 -0.659 174.254 174.900 0.022 0.000 1.082 391 G CA -0.277 44.797 45.100 -0.044 0.000 0.863 391 G HN 0.265 nan 8.290 nan 0.000 0.495 392 L N -0.359 120.899 121.223 0.058 0.000 2.260 392 L HA 0.748 5.089 4.340 0.002 0.000 0.265 392 L C 0.183 177.104 176.870 0.085 0.000 1.015 392 L CA -1.583 53.308 54.840 0.087 0.000 0.826 392 L CB 1.556 43.693 42.059 0.130 0.000 1.373 392 L HN 0.236 nan 8.230 nan 0.000 0.450 393 N N -0.717 118.028 118.700 0.074 0.000 2.443 393 N HA 0.177 4.918 4.740 0.002 0.000 0.269 393 N C 0.382 175.927 175.510 0.058 0.000 0.985 393 N CA 0.025 53.112 53.050 0.062 0.000 0.921 393 N CB 1.705 40.220 38.487 0.046 0.000 1.195 393 N HN 0.515 nan 8.380 nan 0.000 0.492 394 S N 2.623 118.355 115.700 0.055 0.000 2.378 394 S HA -0.260 4.211 4.470 0.002 0.000 0.229 394 S C 1.742 176.363 174.600 0.035 0.000 1.052 394 S CA 2.215 60.439 58.200 0.041 0.000 1.084 394 S CB -0.151 63.064 63.200 0.025 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.031 123.870 122.820 0.033 0.000 1.832 395 A HA -0.126 4.195 4.320 0.002 0.000 0.214 395 A C 1.959 179.567 177.584 0.040 0.000 1.200 395 A CA 1.591 53.649 52.037 0.035 0.000 0.610 395 A CB -0.875 18.142 19.000 0.028 0.000 0.842 395 A HN 0.571 nan 8.150 nan 0.000 0.444 396 E N -0.796 119.424 120.200 0.033 0.000 2.147 396 E HA -0.259 4.092 4.350 0.002 0.000 0.199 396 E C 1.937 178.551 176.600 0.023 0.000 1.005 396 E CA 1.489 57.904 56.400 0.026 0.000 0.810 396 E CB -0.326 29.387 29.700 0.021 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.514 121.756 121.223 0.031 0.000 2.005 397 L HA -0.168 4.173 4.340 0.002 0.000 0.207 397 L C 2.064 178.950 176.870 0.027 0.000 1.072 397 L CA 1.496 56.353 54.840 0.027 0.000 0.744 397 L CB -0.347 41.744 42.059 0.053 0.000 0.895 397 L HN 0.059 nan 8.230 nan 0.000 0.433 398 L N -0.221 121.032 121.223 0.051 0.000 2.275 398 L HA -0.123 4.218 4.340 0.002 0.000 0.215 398 L C 2.459 179.376 176.870 0.079 0.000 1.119 398 L CA 1.385 56.277 54.840 0.088 0.000 0.790 398 L CB -1.093 41.021 42.059 0.093 0.000 0.919 398 L HN 0.320 nan 8.230 nan 0.000 0.443 399 K N -0.621 119.826 120.400 0.078 0.000 1.980 399 K HA -0.053 4.268 4.320 0.002 0.000 0.208 399 K C 2.102 178.745 176.600 0.071 0.000 1.043 399 K CA 1.184 57.548 56.287 0.129 0.000 0.938 399 K CB -0.226 32.342 32.500 0.112 0.000 0.724 399 K HN 0.239 nan 8.250 nan 0.000 0.438 400 A N 1.680 124.513 122.820 0.022 0.000 1.940 400 A HA -0.234 4.087 4.320 0.002 0.000 0.221 400 A C 2.112 179.649 177.584 -0.078 0.000 1.190 400 A CA 1.657 53.676 52.037 -0.030 0.000 0.647 400 A CB -0.728 18.234 19.000 -0.063 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.004 120.165 121.223 -0.090 0.000 2.017 401 L HA -0.151 4.190 4.340 0.002 0.000 0.208 401 L C 2.669 179.378 176.870 -0.269 0.000 1.073 401 L CA 1.929 56.674 54.840 -0.159 0.000 0.745 401 L CB -0.873 41.120 42.059 -0.111 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.214 116.912 119.300 -0.290 0.000 2.505 402 C HA -0.025 4.436 4.460 0.002 0.000 0.279 402 C C 0.860 175.392 174.990 -0.764 0.000 1.316 402 C CA -0.133 58.552 59.018 -0.555 0.000 1.720 402 C CB -0.621 26.779 27.740 -0.567 0.000 2.050 402 C HN 0.406 nan 8.230 nan 0.000 0.493 403 Y N 0.865 121.119 120.300 -0.077 0.000 2.553 403 Y HA 0.307 4.858 4.550 0.001 0.000 0.369 403 Y C -2.339 173.519 175.900 -0.069 0.000 0.964 403 Y CA -3.245 54.816 58.100 -0.066 0.000 1.156 403 Y CB -0.577 37.855 38.460 -0.046 0.000 1.218 403 Y HN 0.192 nan 8.280 nan 0.000 0.630 404 P HA -0.090 nan 4.420 nan 0.000 0.256 404 P C -0.119 177.178 177.300 -0.005 0.000 1.173 404 P CA 0.338 63.415 63.100 -0.038 0.000 0.768 404 P CB 0.369 32.023 31.700 -0.078 0.000 0.758 405 R N 3.652 124.148 120.500 -0.007 0.000 2.230 405 R HA 0.401 4.742 4.340 0.002 0.000 0.337 405 R C -0.647 175.641 176.300 -0.020 0.000 1.063 405 R CA -0.683 55.413 56.100 -0.006 0.000 0.935 405 R CB 0.085 30.384 30.300 -0.002 0.000 1.121 405 R HN 0.102 nan 8.270 nan 0.000 0.486 406 V N 2.870 122.771 119.914 -0.021 0.000 3.596 406 V HA 0.493 4.614 4.120 0.002 0.000 0.288 406 V C 0.810 176.894 176.094 -0.017 0.000 1.021 406 V CA 0.107 62.392 62.300 -0.024 0.000 1.020 406 V CB 1.233 33.035 31.823 -0.034 0.000 1.243 406 V HN 0.842 nan 8.190 nan 0.000 0.433 407 K N 0.274 120.665 120.400 -0.015 0.000 3.207 407 K HA 0.587 4.908 4.320 0.002 0.000 0.166 407 K C -1.014 175.581 176.600 -0.010 0.000 1.079 407 K CA -0.237 56.045 56.287 -0.009 0.000 0.818 407 K CB 0.881 nan 32.500 nan 0.000 0.967 407 K HN 0.378 nan 8.250 nan 0.000 0.594 408 V N 1.780 121.685 119.914 -0.014 0.000 2.389 408 V HA 0.700 4.821 4.120 0.002 0.000 0.264 408 V C 1.390 177.479 176.094 -0.010 0.000 1.049 408 V CA 1.217 63.509 62.300 -0.014 0.000 0.932 408 V CB 0.099 31.909 31.823 -0.022 0.000 1.011 408 V HN 1.331 nan 8.190 nan 0.000 0.475 409 G N 5.437 114.233 108.800 -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 0.277 175.176 174.900 -0.002 0.000 1.285 409 G CA 0.143 45.241 45.100 -0.004 0.000 1.055 409 G HN 0.818 nan 8.290 nan 0.000 0.579 410 N N 2.014 120.713 118.700 -0.002 0.000 2.170 410 N HA 0.196 4.937 4.740 0.002 0.000 0.222 410 N C 0.581 176.090 175.510 -0.002 0.000 1.218 410 N CA 1.018 54.068 53.050 -0.001 0.000 0.889 410 N CB 0.755 39.242 38.487 -0.000 0.000 1.083 410 N HN 0.967 nan 8.380 nan 0.000 0.520 411 E N -0.374 119.824 120.200 -0.004 0.000 2.573 411 E HA 0.579 4.930 4.350 0.002 0.000 0.218 411 E C -1.054 175.542 176.600 -0.006 0.000 0.777 411 E CA -1.078 55.319 56.400 -0.005 0.000 0.970 411 E CB 0.633 30.329 29.700 -0.006 0.000 1.666 411 E HN -0.093 nan 8.360 nan 0.000 0.384 412 F N 0.582 120.527 119.950 -0.008 0.000 2.610 412 F HA 0.516 5.044 4.527 0.002 0.000 0.355 412 F C -0.625 175.168 175.800 -0.012 0.000 1.140 412 F CA -1.183 56.811 58.000 -0.010 0.000 1.037 412 F CB 1.081 40.076 39.000 -0.009 0.000 1.287 412 F HN 0.266 nan 8.300 nan 0.000 0.457 413 V N 2.599 122.505 119.914 -0.013 0.000 2.385 413 V HA 0.288 4.409 4.120 0.002 0.000 0.269 413 V C 0.669 176.756 176.094 -0.012 0.000 1.043 413 V CA -0.560 61.732 62.300 -0.014 0.000 0.906 413 V CB 0.993 32.806 31.823 -0.017 0.000 0.995 413 V HN 0.850 nan 8.190 nan 0.000 0.467 414 T N 6.738 121.288 114.554 -0.007 0.000 2.769 414 T HA 0.171 4.522 4.350 0.002 0.000 0.293 414 T C 0.179 174.892 174.700 0.022 0.000 0.931 414 T CA 0.064 62.168 62.100 0.008 0.000 1.139 414 T CB -0.112 68.758 68.868 0.003 0.000 0.881 414 T HN 0.511 nan 8.240 nan 0.000 0.532 415 K N 2.418 122.833 120.400 0.026 0.000 2.182 415 K HA 0.521 4.842 4.320 0.002 0.000 0.262 415 K C 0.406 177.036 176.600 0.050 0.000 0.957 415 K CA -0.679 55.618 56.287 0.017 0.000 0.842 415 K CB 2.153 34.634 32.500 -0.031 0.000 1.099 415 K HN 0.673 nan 8.250 nan 0.000 0.438 416 G N 1.906 110.736 108.800 0.050 0.000 2.367 416 G HA2 0.300 4.261 3.960 0.002 0.000 0.314 416 G HA3 0.300 4.261 3.960 0.002 0.000 0.314 416 G C -0.579 174.269 174.900 -0.086 0.000 1.130 416 G CA -0.316 44.800 45.100 0.026 0.000 0.864 416 G HN 0.452 nan 8.290 nan 0.000 0.486 417 Q N -0.088 119.596 119.800 -0.193 0.000 2.359 417 Q HA 0.483 4.824 4.340 0.002 0.000 0.275 417 Q C -0.247 175.632 176.000 -0.201 0.000 1.082 417 Q CA -0.673 55.013 55.803 -0.194 0.000 0.849 417 Q CB 2.227 30.823 28.738 -0.236 0.000 1.377 417 Q HN 0.534 nan 8.270 nan 0.000 0.452 418 T N -0.168 114.289 114.554 -0.161 0.000 2.881 418 T HA 0.140 4.491 4.350 0.002 0.000 0.278 418 T C 1.555 176.130 174.700 -0.208 0.000 0.982 418 T CA -0.628 61.387 62.100 -0.141 0.000 0.989 418 T CB 1.056 69.876 68.868 -0.080 0.000 1.058 418 T HN 0.345 nan 8.240 nan 0.000 0.529 419 V N 1.209 121.015 119.914 -0.179 0.000 2.255 419 V HA -0.180 3.941 4.120 0.002 0.000 0.247 419 V C 2.684 178.617 176.094 -0.268 0.000 1.051 419 V CA 2.046 64.193 62.300 -0.255 0.000 1.018 419 V CB -1.027 30.715 31.823 -0.135 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.551 115.085 115.700 -0.106 0.000 2.419 420 S HA -0.270 4.201 4.470 0.002 0.000 0.235 420 S C 1.958 176.534 174.600 -0.040 0.000 1.019 420 S CA 1.571 59.760 58.200 -0.017 0.000 0.982 420 S CB -0.346 62.868 63.200 0.024 0.000 0.789 420 S HN 0.705 nan 8.310 nan 0.000 0.490 421 Q N 0.156 119.894 119.800 -0.102 0.000 2.187 421 Q HA -0.002 4.339 4.340 0.002 0.000 0.199 421 Q C 2.216 178.122 176.000 -0.155 0.000 0.957 421 Q CA 1.029 56.771 55.803 -0.102 0.000 0.857 421 Q CB -0.239 28.431 28.738 -0.113 0.000 0.929 421 Q HN 0.438 nan 8.270 nan 0.000 0.453 422 V N 0.485 120.222 119.914 -0.294 0.000 2.255 422 V HA -0.222 3.899 4.120 0.002 0.000 0.243 422 V C 1.996 177.967 176.094 -0.205 0.000 1.038 422 V CA 1.701 63.744 62.300 -0.428 0.000 1.008 422 V CB -0.829 30.430 31.823 -0.939 0.000 0.645 422 V HN 0.350 nan 8.190 nan 0.000 0.449 423 H N 0.957 119.958 119.070 -0.115 0.000 2.394 423 H HA -0.172 4.385 4.556 0.002 0.000 0.297 423 H C 2.268 177.647 175.328 0.086 0.000 1.113 423 H CA 2.010 58.094 56.048 0.061 0.000 1.277 423 H CB -0.646 29.182 29.762 0.109 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.201 118.588 118.700 0.149 0.000 2.216 424 N HA -0.114 4.627 4.740 0.002 0.000 0.183 424 N C 2.125 177.681 175.510 0.076 0.000 1.017 424 N CA 1.110 54.221 53.050 0.101 0.000 0.861 424 N CB 0.064 38.585 38.487 0.056 0.000 0.986 424 N HN 0.306 nan 8.380 nan 0.000 0.428 425 S N 0.619 116.336 115.700 0.028 0.000 2.383 425 S HA -0.062 4.409 4.470 0.002 0.000 0.227 425 S C 2.117 176.772 174.600 0.093 0.000 1.026 425 S CA 0.641 58.855 58.200 0.023 0.000 0.981 425 S CB -0.705 62.470 63.200 -0.042 0.000 0.818 425 S HN 0.015 nan 8.310 nan 0.000 0.472 426 V N 2.736 122.725 119.914 0.126 0.000 2.233 426 V HA -0.126 3.995 4.120 0.002 0.000 0.247 426 V C 2.995 179.311 176.094 0.369 0.000 1.050 426 V CA 2.082 64.528 62.300 0.244 0.000 1.010 426 V CB -1.787 30.198 31.823 0.270 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.600 108.397 108.800 0.328 0.000 2.469 427 G HA2 -0.266 3.695 3.960 0.002 0.000 0.220 427 G HA3 -0.266 3.695 3.960 0.002 0.000 0.220 427 G C 1.716 176.707 174.900 0.151 0.000 1.136 427 G CA 1.223 46.468 45.100 0.243 0.000 0.759 427 G HN 0.661 nan 8.290 nan 0.000 0.562 428 A N 0.297 123.201 122.820 0.139 0.000 1.930 428 A HA 0.165 4.486 4.320 0.002 0.000 0.217 428 A C 2.422 180.112 177.584 0.177 0.000 1.175 428 A CA 1.257 53.362 52.037 0.114 0.000 0.627 428 A CB -0.279 18.769 19.000 0.080 0.000 0.815 428 A HN 0.366 nan 8.150 nan 0.000 0.443 429 L N -0.775 120.594 121.223 0.244 0.000 2.044 429 L HA -0.091 4.250 4.340 0.002 0.000 0.205 429 L C 3.065 180.133 176.870 0.330 0.000 1.075 429 L CA 0.935 55.972 54.840 0.329 0.000 0.747 429 L CB -0.695 41.610 42.059 0.410 0.000 0.903 429 L HN 0.370 nan 8.230 nan 0.000 0.435 430 A N 0.682 123.703 122.820 0.335 0.000 1.896 430 A HA -0.323 3.998 4.320 0.002 0.000 0.220 430 A C 2.337 180.031 177.584 0.182 0.000 1.206 430 A CA 2.489 54.664 52.037 0.229 0.000 0.647 430 A CB -0.553 18.647 19.000 0.332 0.000 0.828 430 A HN 0.342 nan 8.150 nan 0.000 0.455 431 K N -0.469 120.016 120.400 0.141 0.000 2.025 431 K HA 0.047 4.368 4.320 0.002 0.000 0.207 431 K C 2.366 179.078 176.600 0.187 0.000 1.049 431 K CA 1.217 57.572 56.287 0.115 0.000 0.933 431 K CB -0.438 32.096 32.500 0.058 0.000 0.714 431 K HN 0.455 nan 8.250 nan 0.000 0.438 432 A N 0.961 123.910 122.820 0.216 0.000 1.873 432 A HA -0.196 4.125 4.320 0.002 0.000 0.218 432 A C 2.406 180.127 177.584 0.228 0.000 1.193 432 A CA 2.062 54.251 52.037 0.253 0.000 0.629 432 A CB -1.057 18.166 19.000 0.372 0.000 0.826 432 A HN 0.080 nan 8.150 nan 0.000 0.447 433 V N -1.569 118.534 119.914 0.315 0.000 2.287 433 V HA -0.316 3.805 4.120 0.002 0.000 0.248 433 V C 2.337 178.473 176.094 0.070 0.000 1.053 433 V CA 2.285 64.704 62.300 0.197 0.000 1.027 433 V CB -1.171 30.744 31.823 0.154 0.000 0.646 433 V HN 0.667 nan 8.190 nan 0.000 0.447 434 Y N 0.997 121.305 120.300 0.013 0.000 2.081 434 Y HA -0.317 4.234 4.550 0.002 0.000 0.280 434 Y C 2.686 178.570 175.900 -0.027 0.000 1.163 434 Y CA 2.444 60.540 58.100 -0.007 0.000 1.135 434 Y CB -0.332 38.139 38.460 0.019 0.000 0.970 434 Y HN 0.408 nan 8.280 nan 0.000 0.498 435 E N 0.176 120.520 120.200 0.240 0.000 2.019 435 E HA -0.374 3.977 4.350 0.002 0.000 0.208 435 E C 2.194 178.826 176.600 0.054 0.000 1.030 435 E CA 2.137 58.619 56.400 0.137 0.000 0.856 435 E CB -0.282 29.496 29.700 0.130 0.000 0.781 435 E HN 0.300 nan 8.360 nan 0.000 0.471 436 K N 0.136 120.518 120.400 -0.029 0.000 2.090 436 K HA -0.278 4.043 4.320 0.002 0.000 0.218 436 K C 2.194 178.735 176.600 -0.099 0.000 1.055 436 K CA 2.553 58.762 56.287 -0.129 0.000 0.941 436 K CB -0.443 31.828 32.500 -0.382 0.000 0.722 436 K HN 0.343 nan 8.250 nan 0.000 0.458 437 M N -0.715 118.790 119.600 -0.157 0.000 2.073 437 M HA -0.228 4.253 4.480 0.002 0.000 0.258 437 M C 1.961 178.184 176.300 -0.128 0.000 1.070 437 M CA 1.892 57.098 55.300 -0.156 0.000 1.103 437 M CB -0.275 32.140 32.600 -0.308 0.000 1.321 437 M HN 0.229 nan 8.290 nan 0.000 0.405 438 F N 0.707 120.416 119.950 -0.401 0.000 2.126 438 F HA -0.262 4.266 4.527 0.002 0.000 0.299 438 F C 1.476 177.120 175.800 -0.259 0.000 1.096 438 F CA 1.458 59.200 58.000 -0.430 0.000 1.255 438 F CB -0.266 38.507 39.000 -0.378 0.000 0.997 438 F HN 0.142 nan 8.300 nan 0.000 0.479 439 L N -0.772 120.450 121.223 -0.002 0.000 2.017 439 L HA -0.194 4.147 4.340 0.002 0.000 0.208 439 L C 2.076 178.877 176.870 -0.116 0.000 1.073 439 L CA 1.758 56.556 54.840 -0.070 0.000 0.745 439 L CB -1.945 40.131 42.059 0.029 0.000 0.894 439 L HN 0.504 nan 8.230 nan 0.000 0.432 440 W N 0.192 121.348 121.300 -0.240 0.000 2.333 440 W HA -0.266 4.396 4.660 0.002 0.000 0.316 440 W C 2.675 179.068 176.519 -0.210 0.000 1.215 440 W CA 1.787 59.009 57.345 -0.205 0.000 1.278 440 W CB -0.415 28.929 29.460 -0.193 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.229 119.155 119.600 -0.360 0.000 2.089 441 M HA -0.302 4.179 4.480 0.002 0.000 0.257 441 M C 1.875 177.899 176.300 -0.460 0.000 1.071 441 M CA 2.345 57.330 55.300 -0.525 0.000 1.096 441 M CB -0.872 31.351 32.600 -0.629 0.000 1.330 441 M HN -0.067 nan 8.290 nan 0.000 0.403 442 V N 0.473 120.069 119.914 -0.529 0.000 2.255 442 V HA -0.312 3.809 4.120 0.002 0.000 0.247 442 V C 2.126 178.011 176.094 -0.347 0.000 1.051 442 V CA 2.060 64.091 62.300 -0.447 0.000 1.018 442 V CB -0.559 30.983 31.823 -0.469 0.000 0.641 442 V HN 0.428 nan 8.190 nan 0.000 0.445 443 I N -0.693 119.685 120.570 -0.320 0.000 2.118 443 I HA -0.263 3.908 4.170 0.002 0.000 0.241 443 I C 2.788 178.685 176.117 -0.366 0.000 1.070 443 I CA 1.581 62.717 61.300 -0.273 0.000 1.327 443 I CB -0.432 37.451 38.000 -0.195 0.000 1.034 443 I HN 0.187 nan 8.210 nan 0.000 0.405 444 R N 0.387 120.557 120.500 -0.549 0.000 2.105 444 R HA -0.133 4.208 4.340 0.002 0.000 0.239 444 R C 2.201 178.115 176.300 -0.643 0.000 1.135 444 R CA 1.473 57.150 56.100 -0.706 0.000 0.967 444 R CB -0.714 28.904 30.300 -1.137 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.223 121.491 120.570 -0.503 0.000 2.113 445 I HA -0.318 3.853 4.170 0.002 0.000 0.238 445 I C 1.955 177.895 176.117 -0.294 0.000 1.070 445 I CA 1.230 62.311 61.300 -0.365 0.000 1.332 445 I CB -0.548 37.306 38.000 -0.244 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.096 119.642 118.700 -0.256 0.000 2.133 446 N HA -0.276 4.465 4.740 0.002 0.000 0.193 446 N C 1.839 177.219 175.510 -0.217 0.000 1.012 446 N CA 1.856 54.782 53.050 -0.207 0.000 0.871 446 N CB -0.461 37.912 38.487 -0.191 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.086 119.729 119.800 -0.262 0.000 2.124 447 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 447 Q C 1.663 177.524 176.000 -0.232 0.000 0.977 447 Q CA 1.329 56.983 55.803 -0.247 0.000 0.850 447 Q CB -0.294 28.306 28.738 -0.229 0.000 0.901 447 Q HN 0.200 nan 8.270 nan 0.000 0.429 448 Q N 0.357 119.999 119.800 -0.262 0.000 2.137 448 Q HA 0.037 4.378 4.340 0.002 0.000 0.198 448 Q C 1.386 177.286 176.000 -0.167 0.000 0.960 448 Q CA 0.706 56.378 55.803 -0.219 0.000 0.847 448 Q CB 0.110 28.701 28.738 -0.246 0.000 0.915 448 Q HN 0.297 nan 8.270 nan 0.000 0.448 449 L N 1.243 122.367 121.223 -0.165 0.000 2.786 449 L HA 0.025 4.366 4.340 0.002 0.000 0.250 449 L C -0.347 176.447 176.870 -0.126 0.000 1.151 449 L CA 0.835 55.598 54.840 -0.129 0.000 0.910 449 L CB -0.801 41.187 42.059 -0.119 0.000 1.082 449 L HN 0.052 nan 8.230 nan 0.000 0.433 450 D N -0.638 119.667 120.400 -0.160 0.000 2.303 450 D HA 0.396 5.037 4.640 0.002 0.000 0.236 450 D C 0.166 176.388 176.300 -0.130 0.000 1.068 450 D CA -0.039 53.866 54.000 -0.159 0.000 0.830 450 D CB 1.193 41.895 40.800 -0.162 0.000 1.109 450 D HN 0.156 nan 8.370 nan 0.000 0.496 451 T N -0.049 114.429 114.554 -0.127 0.000 2.940 451 T HA 0.445 4.796 4.350 0.002 0.000 0.288 451 T C 1.028 175.671 174.700 -0.096 0.000 1.045 451 T CA -0.759 61.282 62.100 -0.098 0.000 1.018 451 T CB 1.964 70.783 68.868 -0.082 0.000 1.151 451 T HN 0.154 nan 8.240 nan 0.000 0.529 452 K N -0.094 120.262 120.400 -0.074 0.000 2.211 452 K HA 0.066 4.387 4.320 0.002 0.000 0.201 452 K C 0.751 177.315 176.600 -0.060 0.000 1.052 452 K CA 0.300 56.548 56.287 -0.066 0.000 0.973 452 K CB 0.025 32.494 32.500 -0.051 0.000 0.766 452 K HN 0.656 nan 8.250 nan 0.000 0.466 453 Q N 2.180 121.948 119.800 -0.053 0.000 2.352 453 Q HA -0.024 4.317 4.340 0.002 0.000 0.326 453 Q C -2.331 173.638 176.000 -0.051 0.000 1.135 453 Q CA -1.110 54.667 55.803 -0.042 0.000 1.000 453 Q CB -0.639 28.081 28.738 -0.031 0.000 1.237 453 Q HN 0.018 nan 8.270 nan 0.000 0.409 454 P HA 0.091 nan 4.420 nan 0.000 0.272 454 P C -0.959 176.312 177.300 -0.049 0.000 1.223 454 P CA -0.017 63.055 63.100 -0.047 0.000 0.784 454 P CB 0.621 32.297 31.700 -0.041 0.000 0.923 455 R N 1.291 121.758 120.500 -0.054 0.000 2.561 455 R HA 0.377 4.718 4.340 0.002 0.000 0.297 455 R C 0.655 176.905 176.300 -0.082 0.000 0.969 455 R CA -0.611 55.471 56.100 -0.030 0.000 0.879 455 R CB 1.941 32.246 30.300 0.009 0.000 1.178 455 R HN 0.399 nan 8.270 nan 0.000 0.445 456 Q N 1.031 120.684 119.800 -0.245 0.000 2.431 456 Q HA 0.181 4.522 4.340 0.002 0.000 0.244 456 Q C -0.566 175.100 176.000 -0.557 0.000 0.880 456 Q CA 0.734 56.210 55.803 -0.546 0.000 0.954 456 Q CB 0.888 29.046 28.738 -0.968 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.009 119.401 120.300 0.184 0.000 2.670 457 Y HA 0.507 5.058 4.550 0.002 0.000 0.334 457 Y C -0.663 175.369 175.900 0.220 0.000 1.185 457 Y CA -1.999 56.188 58.100 0.145 0.000 1.053 457 Y CB 0.773 39.248 38.460 0.024 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.824 119.236 119.950 0.183 0.000 2.664 458 F HA 0.911 5.439 4.527 0.002 0.000 0.317 458 F C -1.901 173.914 175.800 0.024 0.000 1.108 458 F CA -1.852 56.111 58.000 -0.062 0.000 0.957 458 F CB 1.644 40.248 39.000 -0.660 0.000 1.365 458 F HN 0.354 nan 8.300 nan 0.000 0.475 459 I N 1.818 122.481 120.570 0.156 0.000 2.439 459 I HA 0.495 4.666 4.170 0.002 0.000 0.283 459 I C 0.009 176.181 176.117 0.092 0.000 1.023 459 I CA -0.735 60.577 61.300 0.020 0.000 1.100 459 I CB 1.683 39.636 38.000 -0.077 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.790 114.695 108.800 0.176 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 -0.660 174.318 174.900 0.131 0.000 1.172 460 G CA -0.226 44.922 45.100 0.081 0.000 0.854 460 G HN 0.328 nan 8.290 nan 0.000 0.485 461 V N 3.937 123.862 119.914 0.017 0.000 2.326 461 V HA 0.319 4.440 4.120 0.002 0.000 0.281 461 V C -0.173 176.095 176.094 0.289 0.000 1.015 461 V CA -0.688 61.706 62.300 0.157 0.000 0.823 461 V CB 1.036 32.938 31.823 0.131 0.000 1.009 461 V HN 0.704 nan 8.190 nan 0.000 0.436 462 L N 4.512 125.978 121.223 0.405 0.000 2.282 462 L HA 0.764 5.105 4.340 0.002 0.000 0.288 462 L C -0.631 176.394 176.870 0.259 0.000 1.033 462 L CA 0.342 55.452 54.840 0.451 0.000 0.807 462 L CB 1.457 43.721 42.059 0.342 0.000 1.209 462 L HN 0.644 nan 8.230 nan 0.000 0.423 463 D N 6.369 126.918 120.400 0.248 0.000 2.549 463 D HA 0.565 5.206 4.640 0.002 0.000 0.251 463 D C -0.997 175.399 176.300 0.159 0.000 1.153 463 D CA -0.099 54.000 54.000 0.164 0.000 0.861 463 D CB 1.057 41.933 40.800 0.126 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.937 121.579 120.570 0.119 0.000 3.181 464 I HA 0.516 4.687 4.170 0.002 0.000 0.311 464 I C -0.221 175.947 176.117 0.084 0.000 1.287 464 I CA -1.331 60.035 61.300 0.110 0.000 0.958 464 I CB 1.906 39.962 38.000 0.093 0.000 1.294 464 I HN 0.428 nan 8.210 nan 0.000 0.467 465 A N 1.030 123.899 122.820 0.082 0.000 2.304 465 A HA 0.782 5.103 4.320 0.002 0.000 0.271 465 A C 0.084 177.718 177.584 0.083 0.000 1.091 465 A CA -0.004 52.078 52.037 0.075 0.000 0.812 465 A CB 0.576 19.621 19.000 0.075 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.006 107.842 108.800 0.079 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 -0.530 174.436 174.900 0.111 0.000 1.161 466 G CA -0.715 44.451 45.100 0.110 0.000 0.935 466 G HN 0.623 nan 8.290 nan 0.000 0.488 467 F N 0.967 120.899 119.950 -0.031 0.000 2.473 467 F HA 0.048 4.576 4.527 0.002 0.000 0.405 467 F C 0.791 176.482 175.800 -0.182 0.000 0.988 467 F CA 0.732 58.660 58.000 -0.119 0.000 1.096 467 F CB 0.188 39.102 39.000 -0.144 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.309 126.335 120.200 -0.291 0.000 2.222 468 E HA 0.470 4.821 4.350 0.002 0.000 0.267 468 E C -0.892 175.185 176.600 -0.872 0.000 0.884 468 E CA -0.943 55.156 56.400 -0.502 0.000 0.764 468 E CB 2.093 31.477 29.700 -0.528 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.387 123.490 120.570 -0.778 0.000 2.378 469 I HA 0.382 4.553 4.170 0.002 0.000 0.291 469 I C -0.922 174.775 176.117 -0.699 0.000 0.992 469 I CA -0.529 60.387 61.300 -0.639 0.000 1.154 469 I CB 0.687 38.557 38.000 -0.216 0.000 1.315 469 I HN 0.343 nan 8.210 nan 0.000 0.448 470 F N 2.753 122.643 119.950 -0.101 0.000 2.593 470 F HA 0.328 4.856 4.527 0.002 0.000 0.320 470 F C 1.342 177.124 175.800 -0.031 0.000 1.060 470 F CA -1.015 56.961 58.000 -0.040 0.000 0.940 470 F CB 0.833 39.839 39.000 0.010 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.245 120.790 120.400 0.241 0.000 2.218 471 D HA -0.195 4.446 4.640 0.002 0.000 0.204 471 D C 0.142 176.563 176.300 0.201 0.000 0.976 471 D CA 1.411 55.502 54.000 0.152 0.000 0.853 471 D CB -0.013 40.868 40.800 0.134 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.106 122.121 119.950 0.109 0.000 2.382 472 F HA 0.309 4.837 4.527 0.002 0.000 0.361 472 F C -0.733 175.154 175.800 0.145 0.000 1.109 472 F CA -1.071 56.986 58.000 0.095 0.000 1.031 472 F CB 0.725 39.764 39.000 0.066 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.755 123.235 118.700 -0.366 0.000 2.446 473 N HA 0.228 4.969 4.740 0.002 0.000 0.265 473 N C -0.814 174.597 175.510 -0.166 0.000 0.975 473 N CA -0.250 52.680 53.050 -0.200 0.000 0.928 473 N CB 2.042 40.307 38.487 -0.371 0.000 1.160 473 N HN 0.470 nan 8.380 nan 0.000 0.495 474 S N 0.685 116.405 115.700 0.034 0.000 2.776 474 S HA 0.352 4.823 4.470 0.002 0.000 0.306 474 S C 1.075 175.795 174.600 0.200 0.000 1.114 474 S CA -0.593 57.779 58.200 0.286 0.000 0.973 474 S CB 0.534 63.931 63.200 0.329 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.303 121.931 119.950 -0.537 0.000 2.085 475 F HA -0.212 4.317 4.527 0.002 0.000 0.299 475 F C 1.857 177.366 175.800 -0.485 0.000 1.096 475 F CA 2.774 60.031 58.000 -1.237 0.000 1.227 475 F CB -0.787 37.317 39.000 -1.493 0.000 0.983 475 F HN 0.677 nan 8.300 nan 0.000 0.482 476 E N 0.024 120.008 120.200 -0.359 0.000 2.160 476 E HA -0.253 4.098 4.350 0.002 0.000 0.195 476 E C 2.012 178.477 176.600 -0.226 0.000 0.991 476 E CA 1.636 57.815 56.400 -0.369 0.000 0.810 476 E CB -0.514 29.109 29.700 -0.130 0.000 0.742 476 E HN 0.513 nan 8.360 nan 0.000 0.466 477 Q N 0.044 119.817 119.800 -0.045 0.000 2.079 477 Q HA -0.068 4.273 4.340 0.002 0.000 0.200 477 Q C 2.076 178.123 176.000 0.078 0.000 0.974 477 Q CA 0.827 56.664 55.803 0.057 0.000 0.840 477 Q CB -0.297 28.532 28.738 0.152 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.003 121.286 121.223 0.100 0.000 1.989 478 L HA -0.229 4.112 4.340 0.002 0.000 0.211 478 L C 1.924 178.849 176.870 0.093 0.000 1.071 478 L CA 1.890 56.728 54.840 -0.003 0.000 0.749 478 L CB -0.871 41.050 42.059 -0.231 0.000 0.890 478 L HN 0.342 nan 8.230 nan 0.000 0.431 479 C N -0.567 118.675 119.300 -0.097 0.000 2.398 479 C HA -0.170 4.291 4.460 0.002 0.000 0.276 479 C C 2.678 177.772 174.990 0.173 0.000 1.222 479 C CA 0.981 59.976 59.018 -0.038 0.000 1.746 479 C CB -1.216 25.970 27.740 -0.922 0.000 2.039 479 C HN 0.642 nan 8.230 nan 0.000 0.470 480 I N 1.426 122.003 120.570 0.012 0.000 2.233 480 I HA -0.149 4.022 4.170 0.002 0.000 0.243 480 I C 2.289 178.472 176.117 0.110 0.000 1.093 480 I CA 1.543 62.885 61.300 0.069 0.000 1.380 480 I CB -0.460 37.542 38.000 0.005 0.000 1.067 480 I HN 0.399 nan 8.210 nan 0.000 0.413 481 N N -0.148 118.560 118.700 0.014 0.000 2.104 481 N HA -0.268 4.473 4.740 0.002 0.000 0.190 481 N C 1.944 177.650 175.510 0.327 0.000 1.024 481 N CA 1.349 54.355 53.050 -0.073 0.000 0.853 481 N CB -0.332 37.870 38.487 -0.476 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.505 122.603 119.950 0.247 0.000 2.161 482 F HA -0.152 4.377 4.527 0.002 0.000 0.300 482 F C 2.255 178.218 175.800 0.273 0.000 1.089 482 F CA 1.241 59.429 58.000 0.312 0.000 1.282 482 F CB -0.833 38.377 39.000 0.351 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.649 115.289 114.554 0.143 0.000 2.708 483 T HA -0.187 4.164 4.350 0.002 0.000 0.266 483 T C 1.864 176.566 174.700 0.003 0.000 1.037 483 T CA 1.548 63.612 62.100 -0.060 0.000 1.146 483 T CB -0.393 68.523 68.868 0.080 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.906 119.705 118.700 0.166 0.000 2.142 484 N HA -0.091 4.650 4.740 0.002 0.000 0.186 484 N C 1.954 177.695 175.510 0.386 0.000 1.023 484 N CA 1.024 54.236 53.050 0.270 0.000 0.852 484 N CB -0.270 38.434 38.487 0.361 0.000 0.998 484 N HN 0.512 nan 8.380 nan 0.000 0.424 485 E N 1.029 121.514 120.200 0.475 0.000 2.333 485 E HA -0.097 4.254 4.350 0.002 0.000 0.198 485 E C 1.706 178.497 176.600 0.319 0.000 1.007 485 E CA 0.939 57.686 56.400 0.579 0.000 0.845 485 E CB 0.254 30.320 29.700 0.610 0.000 0.766 485 E HN 0.233 nan 8.360 nan 0.000 0.507 486 K N -0.388 120.089 120.400 0.129 0.000 2.044 486 K HA -0.071 4.250 4.320 0.002 0.000 0.204 486 K C 1.898 178.564 176.600 0.111 0.000 1.045 486 K CA 0.458 56.757 56.287 0.019 0.000 0.951 486 K CB -0.074 32.281 32.500 -0.242 0.000 0.738 486 K HN 0.116 nan 8.250 nan 0.000 0.443 487 L N 1.951 123.241 121.223 0.112 0.000 2.043 487 L HA -0.250 4.091 4.340 0.002 0.000 0.212 487 L C 2.502 179.578 176.870 0.342 0.000 1.075 487 L CA 1.747 56.722 54.840 0.225 0.000 0.752 487 L CB -1.049 41.118 42.059 0.181 0.000 0.891 487 L HN 0.220 nan 8.230 nan 0.000 0.432 488 Q N -0.345 119.569 119.800 0.189 0.000 2.030 488 Q HA -0.260 4.081 4.340 0.002 0.000 0.204 488 Q C 2.328 178.426 176.000 0.162 0.000 0.986 488 Q CA 2.069 57.889 55.803 0.028 0.000 0.843 488 Q CB -0.405 28.107 28.738 -0.376 0.000 0.904 488 Q HN 0.575 nan 8.270 nan 0.000 0.420 489 Q N -1.370 118.539 119.800 0.182 0.000 2.234 489 Q HA -0.180 4.162 4.340 0.002 0.000 0.206 489 Q C 1.751 177.924 176.000 0.289 0.000 0.980 489 Q CA 1.357 57.285 55.803 0.208 0.000 0.869 489 Q CB -0.267 28.578 28.738 0.179 0.000 0.912 489 Q HN 0.476 nan 8.270 nan 0.000 0.436 490 F N 0.199 120.256 119.950 0.178 0.000 2.186 490 F HA -0.153 4.375 4.527 0.002 0.000 0.299 490 F C 1.564 177.578 175.800 0.358 0.000 1.090 490 F CA 1.077 59.202 58.000 0.209 0.000 1.307 490 F CB -0.467 38.652 39.000 0.198 0.000 1.019 490 F HN 0.192 nan 8.300 nan 0.000 0.489 491 F N 1.325 121.315 119.950 0.067 0.000 2.074 491 F HA -0.090 4.438 4.527 0.002 0.000 0.290 491 F C 2.127 177.916 175.800 -0.019 0.000 1.118 491 F CA 1.852 59.777 58.000 -0.126 0.000 1.199 491 F CB -1.070 37.695 39.000 -0.392 0.000 1.012 491 F HN -0.142 nan 8.300 nan 0.000 0.472 492 N N -0.353 118.411 118.700 0.108 0.000 2.242 492 N HA -0.296 4.445 4.740 0.002 0.000 0.191 492 N C 1.642 177.255 175.510 0.172 0.000 1.005 492 N CA 1.852 54.953 53.050 0.085 0.000 0.877 492 N CB -0.666 37.953 38.487 0.221 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.257 117.842 119.070 0.049 0.000 2.329 493 H HA -0.005 4.552 4.556 0.002 0.000 0.306 493 H C 2.109 177.498 175.328 0.102 0.000 1.062 493 H CA 1.540 57.635 56.048 0.077 0.000 1.364 493 H CB -0.225 29.562 29.762 0.042 0.000 1.409 493 H HN 0.332 nan 8.280 nan 0.000 0.519 494 H N -0.339 118.743 119.070 0.021 0.000 2.426 494 H HA -0.146 4.411 4.556 0.002 0.000 0.298 494 H C 2.198 177.419 175.328 -0.178 0.000 1.107 494 H CA 2.056 58.041 56.048 -0.106 0.000 1.298 494 H CB -0.155 29.462 29.762 -0.242 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.174 118.257 119.600 -0.281 0.000 2.288 495 M HA -0.058 4.423 4.480 0.002 0.000 0.266 495 M C 1.691 178.001 176.300 0.016 0.000 1.072 495 M CA 1.036 56.138 55.300 -0.331 0.000 1.132 495 M CB -0.085 32.169 32.600 -0.577 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.169 120.152 119.950 0.056 0.000 2.163 496 F HA -0.116 4.412 4.527 0.002 0.000 0.297 496 F C 1.738 177.509 175.800 -0.048 0.000 1.094 496 F CA 1.146 59.277 58.000 0.218 0.000 1.290 496 F CB -0.380 38.582 39.000 -0.063 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.726 120.574 119.914 -0.110 0.000 2.261 497 V HA -0.295 3.826 4.120 0.002 0.000 0.246 497 V C 2.418 178.316 176.094 -0.326 0.000 1.047 497 V CA 1.964 64.083 62.300 -0.301 0.000 1.015 497 V CB -0.862 30.856 31.823 -0.176 0.000 0.642 497 V HN 0.407 nan 8.190 nan 0.000 0.446 498 L N -0.273 120.747 121.223 -0.338 0.000 1.989 498 L HA -0.176 4.165 4.340 0.002 0.000 0.211 498 L C 2.635 179.345 176.870 -0.266 0.000 1.071 498 L CA 1.967 56.599 54.840 -0.347 0.000 0.749 498 L CB -0.685 41.096 42.059 -0.463 0.000 0.890 498 L HN 0.273 nan 8.230 nan 0.000 0.431 499 E N -0.403 119.670 120.200 -0.213 0.000 2.048 499 E HA -0.353 3.998 4.350 0.002 0.000 0.202 499 E C 2.078 178.501 176.600 -0.295 0.000 1.021 499 E CA 1.824 58.076 56.400 -0.247 0.000 0.825 499 E CB -0.509 29.169 29.700 -0.037 0.000 0.756 499 E HN 0.642 nan 8.360 nan 0.000 0.454 500 Q N 0.463 120.239 119.800 -0.040 0.000 2.376 500 Q HA -0.219 4.122 4.340 0.002 0.000 0.211 500 Q C 1.808 177.721 176.000 -0.145 0.000 0.986 500 Q CA 1.589 57.352 55.803 -0.068 0.000 0.886 500 Q CB -0.029 28.392 28.738 -0.527 0.000 0.927 500 Q HN 0.298 nan 8.270 nan 0.000 0.457 501 E N -0.214 119.873 120.200 -0.189 0.000 2.076 501 E HA -0.182 4.169 4.350 0.002 0.000 0.190 501 E C 1.700 178.241 176.600 -0.099 0.000 0.979 501 E CA 0.899 57.215 56.400 -0.140 0.000 0.807 501 E CB 0.167 29.778 29.700 -0.149 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N 0.026 120.128 120.200 -0.163 0.000 2.012 502 E HA -0.207 4.144 4.350 0.002 0.000 0.197 502 E C 1.560 178.199 176.600 0.064 0.000 1.007 502 E CA 1.453 57.791 56.400 -0.103 0.000 0.816 502 E CB -0.334 29.240 29.700 -0.211 0.000 0.762 502 E HN 0.303 nan 8.360 nan 0.000 0.451 503 Y N 0.343 120.692 120.300 0.083 0.000 2.538 503 Y HA -0.134 4.417 4.550 0.002 0.000 0.287 503 Y C 2.115 177.990 175.900 -0.043 0.000 1.157 503 Y CA 1.312 59.423 58.100 0.018 0.000 1.338 503 Y CB -0.625 37.834 38.460 -0.001 0.000 0.970 503 Y HN 0.087 nan 8.280 nan 0.000 0.564 504 K N 0.313 120.770 120.400 0.095 0.000 2.244 504 K HA 0.011 4.332 4.320 0.002 0.000 0.200 504 K C 2.080 178.695 176.600 0.026 0.000 1.052 504 K CA 0.544 56.842 56.287 0.020 0.000 0.980 504 K CB 0.098 32.585 32.500 -0.022 0.000 0.838 504 K HN 0.003 nan 8.250 nan 0.000 0.481 505 K N 0.308 120.730 120.400 0.038 0.000 2.001 505 K HA -0.124 4.197 4.320 0.002 0.000 0.208 505 K C 1.759 178.404 176.600 0.074 0.000 1.048 505 K CA 1.675 57.987 56.287 0.041 0.000 0.932 505 K CB 0.067 32.583 32.500 0.027 0.000 0.715 505 K HN 0.013 nan 8.250 nan 0.000 0.437 506 E N -1.069 119.208 120.200 0.129 0.000 2.046 506 E HA -0.026 4.325 4.350 0.002 0.000 0.190 506 E C 0.967 177.662 176.600 0.158 0.000 0.982 506 E CA 1.315 57.819 56.400 0.174 0.000 0.800 506 E CB 0.172 30.059 29.700 0.312 0.000 0.756 506 E HN 0.552 nan 8.360 nan 0.000 0.449 507 G N -0.415 108.454 108.800 0.115 0.000 2.148 507 G HA2 -0.191 3.770 3.960 0.002 0.000 0.157 507 G HA3 -0.191 3.770 3.960 0.002 0.000 0.157 507 G C 0.212 175.063 174.900 -0.082 0.000 1.012 507 G CA 0.033 45.096 45.100 -0.060 0.000 0.677 507 G HN 0.155 nan 8.290 nan 0.000 0.506 508 I N 0.256 120.779 120.570 -0.077 0.000 2.945 508 I HA 0.341 4.512 4.170 0.002 0.000 0.292 508 I C 0.785 176.469 176.117 -0.721 0.000 1.093 508 I CA -0.153 60.558 61.300 -0.982 0.000 1.336 508 I CB 0.967 35.806 38.000 -5.268 0.000 1.435 508 I HN 0.051 nan 8.210 nan 0.000 0.593 509 E N 4.400 124.184 120.200 -0.693 0.000 2.267 509 E HA 0.183 4.534 4.350 0.002 0.000 0.241 509 E C -1.593 174.857 176.600 -0.250 0.000 0.950 509 E CA -0.316 55.871 56.400 -0.355 0.000 0.776 509 E CB 0.768 30.354 29.700 -0.189 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.428 124.433 121.300 -0.492 0.000 2.619 510 W HA 0.306 4.967 4.660 0.002 0.000 0.327 510 W C -0.851 175.710 176.519 0.070 0.000 1.027 510 W CA -0.645 56.522 57.345 -0.296 0.000 1.233 510 W CB 1.475 30.562 29.460 -0.622 0.000 1.370 510 W HN 0.344 nan 8.180 nan 0.000 0.453 511 E N 4.606 124.563 120.200 -0.405 0.000 2.179 511 E HA 0.499 4.850 4.350 0.002 0.000 0.275 511 E C -1.062 175.371 176.600 -0.277 0.000 0.945 511 E CA -0.593 55.630 56.400 -0.295 0.000 0.792 511 E CB 1.962 31.510 29.700 -0.253 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.131 119.623 119.950 -0.327 0.000 2.688 512 F HA 0.511 5.039 4.527 0.002 0.000 0.308 512 F C -1.333 174.443 175.800 -0.040 0.000 1.117 512 F CA -1.235 56.620 58.000 -0.243 0.000 0.976 512 F CB 0.484 39.349 39.000 -0.225 0.000 1.291 512 F HN 0.311 nan 8.300 nan 0.000 0.439 513 I N 2.469 123.016 120.570 -0.040 0.000 2.638 513 I HA 0.097 4.268 4.170 0.002 0.000 0.286 513 I C 0.489 176.330 176.117 -0.459 0.000 1.088 513 I CA -0.068 61.132 61.300 -0.166 0.000 1.397 513 I CB 0.446 38.364 38.000 -0.137 0.000 1.414 513 I HN 0.705 nan 8.210 nan 0.000 0.566 514 D N 4.571 124.314 120.400 -1.094 0.000 2.571 514 D HA -0.142 4.499 4.640 0.002 0.000 0.231 514 D C 0.550 176.356 176.300 -0.822 0.000 1.133 514 D CA 0.710 53.597 54.000 -1.855 0.000 0.862 514 D CB 0.542 40.603 40.800 -1.231 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.709 121.528 119.950 -0.218 0.000 2.710 515 F HA 0.155 4.683 4.527 0.002 0.000 0.298 515 F C 2.384 178.172 175.800 -0.020 0.000 1.137 515 F CA 0.265 58.258 58.000 -0.012 0.000 1.444 515 F CB -0.215 38.828 39.000 0.072 0.000 1.111 515 F HN 0.495 nan 8.300 nan 0.000 0.580 516 G N 0.298 109.146 108.800 0.080 0.000 2.421 516 G HA2 -0.326 3.635 3.960 0.002 0.000 0.216 516 G HA3 -0.326 3.635 3.960 0.002 0.000 0.216 516 G C 1.729 176.673 174.900 0.074 0.000 1.171 516 G CA 0.848 46.014 45.100 0.111 0.000 0.775 516 G HN 0.326 nan 8.290 nan 0.000 0.543 517 M N 0.625 120.225 119.600 0.001 0.000 2.201 517 M HA -0.222 4.259 4.480 0.002 0.000 0.251 517 M C 1.801 178.127 176.300 0.044 0.000 1.090 517 M CA 2.215 57.513 55.300 -0.003 0.000 1.063 517 M CB -0.273 32.288 32.600 -0.066 0.000 1.360 517 M HN 0.146 nan 8.290 nan 0.000 0.401 518 D N -0.156 120.287 120.400 0.073 0.000 2.218 518 D HA -0.103 4.538 4.640 0.002 0.000 0.204 518 D C 1.618 177.984 176.300 0.110 0.000 0.976 518 D CA 1.317 55.373 54.000 0.095 0.000 0.853 518 D CB 0.012 40.886 40.800 0.122 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.174 121.471 121.223 0.124 0.000 2.477 519 L HA 0.161 4.502 4.340 0.002 0.000 0.220 519 L C 2.323 179.276 176.870 0.139 0.000 1.106 519 L CA 0.262 55.195 54.840 0.155 0.000 0.851 519 L CB -0.399 41.777 42.059 0.195 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.511 123.395 122.820 0.107 0.000 1.997 520 A HA -0.246 4.075 4.320 0.002 0.000 0.221 520 A C 2.569 180.207 177.584 0.091 0.000 1.172 520 A CA 1.927 54.021 52.037 0.095 0.000 0.645 520 A CB -0.746 18.293 19.000 0.065 0.000 0.813 520 A HN 0.385 nan 8.150 nan 0.000 0.454 521 A N -1.046 121.824 122.820 0.083 0.000 1.851 521 A HA -0.266 4.055 4.320 0.002 0.000 0.216 521 A C 2.468 180.095 177.584 0.073 0.000 1.195 521 A CA 1.845 53.926 52.037 0.072 0.000 0.622 521 A CB -1.512 17.530 19.000 0.070 0.000 0.831 521 A HN 0.852 nan 8.150 nan 0.000 0.444 522 C N -0.615 118.739 119.300 0.090 0.000 2.432 522 C HA -0.077 4.384 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 1.071 60.132 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 0.581 nan 8.230 nan 0.000 0.477 523 I N 1.483 122.160 120.570 0.178 0.000 2.127 523 I HA -0.225 3.946 4.170 0.002 0.000 0.241 523 I C 2.608 178.823 176.117 0.163 0.000 1.075 523 I CA 2.134 63.590 61.300 0.261 0.000 1.334 523 I CB -0.642 37.521 38.000 0.272 0.000 1.040 523 I HN 0.465 nan 8.210 nan 0.000 0.405 524 E N 0.692 120.956 120.200 0.106 0.000 2.097 524 E HA -0.299 4.052 4.350 0.002 0.000 0.196 524 E C 2.229 178.835 176.600 0.011 0.000 1.000 524 E CA 1.401 57.841 56.400 0.066 0.000 0.804 524 E CB -0.715 29.019 29.700 0.057 0.000 0.740 524 E HN 0.413 nan 8.360 nan 0.000 0.454 525 L N 1.026 122.231 121.223 -0.031 0.000 2.127 525 L HA -0.133 4.208 4.340 0.002 0.000 0.211 525 L C 2.197 178.925 176.870 -0.238 0.000 1.089 525 L CA 1.369 56.121 54.840 -0.148 0.000 0.757 525 L CB -0.104 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 -0.876 119.564 120.570 -0.217 0.000 2.385 526 I HA -0.148 4.023 4.170 0.002 0.000 0.244 526 I C 2.331 178.263 176.117 -0.309 0.000 1.089 526 I CA 1.193 62.239 61.300 -0.424 0.000 1.410 526 I CB -0.306 37.307 38.000 -0.645 0.000 1.117 526 I HN 0.344 nan 8.210 nan 0.000 0.429 527 E N 1.248 121.373 120.200 -0.125 0.000 2.318 527 E HA 0.020 4.371 4.350 0.002 0.000 0.193 527 E C 0.916 177.572 176.600 0.093 0.000 0.998 527 E CA 0.078 56.521 56.400 0.071 0.000 0.859 527 E CB 0.156 30.022 29.700 0.277 0.000 0.812 527 E HN 0.265 nan 8.360 nan 0.000 0.492 528 K N 1.134 121.570 120.400 0.059 0.000 2.149 528 K HA 0.073 4.394 4.320 0.002 0.000 0.245 528 K C -1.617 175.022 176.600 0.065 0.000 1.024 528 K CA -1.516 54.809 56.287 0.062 0.000 0.899 528 K CB 0.465 32.996 32.500 0.052 0.000 1.038 528 K HN -0.109 nan 8.250 nan 0.000 0.496 529 P HA -0.165 nan 4.420 nan 0.000 0.215 529 P C 0.862 178.198 177.300 0.060 0.000 1.157 529 P CA 1.654 64.789 63.100 0.059 0.000 0.874 529 P CB 0.193 31.919 31.700 0.043 0.000 0.790 530 M N -1.110 118.523 119.600 0.054 0.000 2.453 530 M HA 0.201 4.682 4.480 0.002 0.000 0.239 530 M C 0.928 177.316 176.300 0.148 0.000 1.151 530 M CA 0.027 55.352 55.300 0.042 0.000 0.989 530 M CB -0.377 32.197 32.600 -0.043 0.000 1.548 530 M HN -0.161 nan 8.290 nan 0.000 0.479 531 G N 0.309 109.187 108.800 0.130 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 1.204 176.100 174.900 -0.006 0.000 1.197 531 G CA -0.689 44.436 45.100 0.042 0.000 0.870 531 G HN 0.237 nan 8.290 nan 0.000 0.548 532 I N -0.148 120.298 120.570 -0.205 0.000 2.203 532 I HA -0.355 3.816 4.170 0.002 0.000 0.237 532 I C 2.480 178.631 176.117 0.056 0.000 0.993 532 I CA 1.927 63.118 61.300 -0.182 0.000 1.277 532 I CB -0.720 37.046 38.000 -0.389 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.085 121.064 119.950 0.048 0.000 2.065 533 F HA -0.243 4.285 4.527 0.002 0.000 0.298 533 F C 3.054 178.912 175.800 0.097 0.000 1.112 533 F CA 1.830 59.883 58.000 0.088 0.000 1.212 533 F CB -1.387 37.635 39.000 0.036 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.270 116.126 115.700 0.260 0.000 2.365 534 S HA -0.214 4.257 4.470 0.002 0.000 0.221 534 S C 2.227 176.929 174.600 0.171 0.000 1.037 534 S CA 1.658 59.965 58.200 0.179 0.000 1.060 534 S CB -0.642 62.634 63.200 0.127 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.050 121.722 120.570 0.170 0.000 2.300 535 I HA -0.217 3.954 4.170 0.002 0.000 0.252 535 I C 2.218 178.499 176.117 0.273 0.000 1.119 535 I CA 0.807 62.221 61.300 0.189 0.000 1.384 535 I CB -0.287 37.800 38.000 0.145 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.099 122.507 121.223 0.308 0.000 2.044 536 L HA -0.181 4.160 4.340 0.002 0.000 0.205 536 L C 2.387 179.259 176.870 0.004 0.000 1.075 536 L CA 1.843 56.728 54.840 0.075 0.000 0.747 536 L CB -0.690 41.502 42.059 0.221 0.000 0.903 536 L HN 0.339 nan 8.230 nan 0.000 0.435 537 E N -1.504 118.764 120.200 0.112 0.000 2.502 537 E HA -0.125 4.226 4.350 0.002 0.000 0.194 537 E C 1.519 178.177 176.600 0.098 0.000 1.062 537 E CA 0.354 56.805 56.400 0.085 0.000 0.867 537 E CB -0.045 29.715 29.700 0.100 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.444 121.715 120.200 0.120 0.000 2.065 538 E HA -0.129 4.222 4.350 0.002 0.000 0.191 538 E C 1.649 178.392 176.600 0.239 0.000 0.960 538 E CA 0.285 56.788 56.400 0.172 0.000 0.824 538 E CB 0.202 30.006 29.700 0.173 0.000 0.793 538 E HN 0.025 nan 8.360 nan 0.000 0.459 539 E N 0.235 120.529 120.200 0.158 0.000 2.233 539 E HA -0.209 4.142 4.350 0.002 0.000 0.199 539 E C 1.671 178.367 176.600 0.161 0.000 1.004 539 E CA 0.922 57.400 56.400 0.129 0.000 0.819 539 E CB -0.267 29.439 29.700 0.010 0.000 0.738 539 E HN 0.244 nan 8.360 nan 0.000 0.478 540 C N -0.509 118.840 119.300 0.081 0.000 2.466 540 C HA 0.038 4.499 4.460 0.002 0.000 0.283 540 C C 2.171 177.210 174.990 0.081 0.000 1.472 540 C CA 0.434 59.478 59.018 0.043 0.000 1.765 540 C CB -0.895 26.848 27.740 0.004 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.679 118.008 119.600 0.145 0.000 2.465 541 M HA 0.210 4.691 4.480 0.002 0.000 0.249 541 M C -0.287 175.994 176.300 -0.032 0.000 1.130 541 M CA 0.420 55.749 55.300 0.049 0.000 1.067 541 M CB 0.225 32.838 32.600 0.022 0.000 1.394 541 M HN 0.119 nan 8.290 nan 0.000 0.483 542 F N 1.533 121.478 119.950 -0.008 0.000 2.404 542 F HA 0.236 4.764 4.527 0.001 0.000 0.359 542 F C -1.553 174.236 175.800 -0.018 0.000 1.134 542 F CA -2.311 55.684 58.000 -0.008 0.000 1.160 542 F CB 0.278 39.280 39.000 0.004 0.000 1.186 542 F HN -0.033 nan 8.300 nan 0.000 0.526 543 P HA -0.191 nan 4.420 nan 0.000 0.224 543 P C 0.260 177.584 177.300 0.039 0.000 1.142 543 P CA 1.415 64.520 63.100 0.008 0.000 0.778 543 P CB 0.179 31.849 31.700 -0.050 0.000 0.764 544 K N -1.310 119.149 120.400 0.098 0.000 3.012 544 K HA 0.429 4.750 4.320 0.002 0.000 0.207 544 K C -0.222 176.435 176.600 0.096 0.000 1.130 544 K CA -0.344 55.991 56.287 0.080 0.000 1.021 544 K CB 1.129 33.669 32.500 0.067 0.000 0.736 544 K HN -0.014 nan 8.250 nan 0.000 0.448 545 A N 0.405 123.290 122.820 0.107 0.000 2.264 545 A HA 0.679 5.000 4.320 0.002 0.000 0.304 545 A C 0.027 177.641 177.584 0.050 0.000 1.100 545 A CA -0.060 52.020 52.037 0.071 0.000 0.839 545 A CB 0.845 19.889 19.000 0.073 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.155 114.425 114.554 0.045 0.000 2.916 546 T HA 0.340 4.691 4.350 0.002 0.000 0.292 546 T C 0.169 174.913 174.700 0.074 0.000 1.064 546 T CA -0.386 61.744 62.100 0.050 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 0.976 121.416 120.400 0.066 0.000 2.104 547 D HA -0.088 4.553 4.640 0.002 0.000 0.194 547 D C 2.093 178.455 176.300 0.103 0.000 0.994 547 D CA 1.516 55.575 54.000 0.098 0.000 0.830 547 D CB -0.316 40.494 40.800 0.016 0.000 0.959 547 D HN 0.467 nan 8.370 nan 0.000 0.452 548 T N 0.119 114.707 114.554 0.056 0.000 2.720 548 T HA -0.185 4.166 4.350 0.002 0.000 0.268 548 T C 2.075 176.798 174.700 0.037 0.000 1.037 548 T CA 1.829 63.956 62.100 0.046 0.000 1.144 548 T CB -0.312 68.589 68.868 0.055 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.612 117.342 115.700 0.049 0.000 2.354 549 S HA -0.190 4.281 4.470 0.002 0.000 0.219 549 S C 1.872 176.494 174.600 0.037 0.000 1.035 549 S CA 1.512 59.727 58.200 0.025 0.000 1.037 549 S CB -0.979 62.226 63.200 0.009 0.000 0.956 549 S HN 0.420 nan 8.310 nan 0.000 0.428 550 F N 3.389 123.277 119.950 -0.104 0.000 2.085 550 F HA -0.174 4.354 4.527 0.002 0.000 0.299 550 F C 2.333 178.042 175.800 -0.152 0.000 1.096 550 F CA 2.308 60.235 58.000 -0.122 0.000 1.227 550 F CB -1.018 37.916 39.000 -0.109 0.000 0.983 550 F HN 0.412 nan 8.300 nan 0.000 0.482 551 K N 0.416 120.594 120.400 -0.370 0.000 2.001 551 K HA -0.272 4.049 4.320 0.002 0.000 0.214 551 K C 1.993 178.344 176.600 -0.416 0.000 1.050 551 K CA 2.060 57.999 56.287 -0.580 0.000 0.934 551 K CB -0.514 31.811 32.500 -0.291 0.000 0.718 551 K HN 0.349 nan 8.250 nan 0.000 0.443 552 N N 0.983 119.612 118.700 -0.119 0.000 2.137 552 N HA -0.180 4.561 4.740 0.002 0.000 0.190 552 N C 1.687 177.165 175.510 -0.053 0.000 1.017 552 N CA 1.464 54.532 53.050 0.030 0.000 0.859 552 N CB -0.157 38.358 38.487 0.046 0.000 1.002 552 N HN 0.333 nan 8.380 nan 0.000 0.428 553 K N 0.336 120.657 120.400 -0.131 0.000 2.147 553 K HA -0.058 4.263 4.320 0.002 0.000 0.205 553 K C 1.907 178.385 176.600 -0.204 0.000 1.049 553 K CA 0.443 56.648 56.287 -0.135 0.000 0.936 553 K CB -0.077 32.363 32.500 -0.100 0.000 0.722 553 K HN -0.013 nan 8.250 nan 0.000 0.446 554 L N 0.030 121.042 121.223 -0.351 0.000 2.046 554 L HA -0.176 4.165 4.340 0.002 0.000 0.208 554 L C 1.812 178.469 176.870 -0.355 0.000 1.077 554 L CA 1.790 56.358 54.840 -0.454 0.000 0.747 554 L CB -0.506 41.074 42.059 -0.798 0.000 0.896 554 L HN 0.140 nan 8.230 nan 0.000 0.432 555 Y N -0.337 119.869 120.300 -0.156 0.000 2.114 555 Y HA -0.174 4.377 4.550 0.002 0.000 0.284 555 Y C 2.450 178.277 175.900 -0.122 0.000 1.119 555 Y CA 1.196 59.267 58.100 -0.049 0.000 1.108 555 Y CB -1.010 37.476 38.460 0.042 0.000 0.995 555 Y HN 0.152 nan 8.280 nan 0.000 0.491 556 D N -0.285 120.165 120.400 0.083 0.000 2.244 556 D HA -0.260 4.381 4.640 0.002 0.000 0.197 556 D C 2.022 178.259 176.300 -0.106 0.000 1.006 556 D CA 1.958 55.949 54.000 -0.016 0.000 0.888 556 D CB -0.235 40.543 40.800 -0.036 0.000 0.912 556 D HN 0.429 nan 8.370 nan 0.000 0.452 557 Q N -1.462 118.209 119.800 -0.215 0.000 2.373 557 Q HA -0.005 4.336 4.340 0.002 0.000 0.210 557 Q C 1.421 177.066 176.000 -0.592 0.000 0.913 557 Q CA 0.956 56.520 55.803 -0.398 0.000 0.911 557 Q CB 0.321 28.759 28.738 -0.499 0.000 1.040 557 Q HN 0.347 nan 8.270 nan 0.000 0.521 558 H N -0.997 117.832 119.070 -0.401 0.000 2.788 558 H HA 0.227 4.784 4.556 0.002 0.000 0.262 558 H C -0.055 175.113 175.328 -0.266 0.000 0.968 558 H CA -0.168 55.547 56.048 -0.555 0.000 1.218 558 H CB 0.414 29.401 29.762 -1.292 0.000 1.443 558 H HN 0.188 nan 8.280 nan 0.000 0.478 559 L N 1.248 122.502 121.223 0.052 0.000 2.499 559 L HA 0.161 4.502 4.340 0.002 0.000 0.273 559 L C 1.304 178.267 176.870 0.156 0.000 1.195 559 L CA 1.116 56.154 54.840 0.330 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 3.026 111.929 108.800 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 1.216 176.161 174.900 0.075 0.000 1.037 560 G CA 0.544 45.701 45.100 0.095 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.142 120.582 120.400 0.067 0.000 2.323 561 K HA 0.304 4.625 4.320 0.002 0.000 0.197 561 K C 0.418 177.059 176.600 0.069 0.000 1.043 561 K CA 0.664 56.974 56.287 0.039 0.000 0.997 561 K CB 0.210 32.702 32.500 -0.013 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.049 115.822 115.700 0.122 0.000 2.532 562 S HA 0.214 4.685 4.470 0.002 0.000 0.299 562 S C 0.225 174.935 174.600 0.184 0.000 1.105 562 S CA -0.643 57.645 58.200 0.148 0.000 1.018 562 S CB 1.774 65.069 63.200 0.158 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.749 121.528 118.700 0.132 0.000 2.250 563 N HA -0.035 4.706 4.740 0.002 0.000 0.181 563 N C 1.028 176.611 175.510 0.122 0.000 1.017 563 N CA 0.751 53.869 53.050 0.114 0.000 0.866 563 N CB 0.008 38.544 38.487 0.082 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.855 117.921 118.700 0.127 0.000 2.494 564 N HA -0.025 4.716 4.740 0.002 0.000 0.182 564 N C -0.620 174.979 175.510 0.149 0.000 1.076 564 N CA 0.177 53.293 53.050 0.111 0.000 0.908 564 N CB 0.163 38.697 38.487 0.079 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.647 121.617 119.950 0.033 0.000 2.404 565 F HA 0.359 4.886 4.527 0.001 0.000 0.345 565 F C -0.093 175.767 175.800 0.100 0.000 1.110 565 F CA -0.258 57.773 58.000 0.052 0.000 1.130 565 F CB 0.632 39.639 39.000 0.012 0.000 1.129 565 F HN -0.117 nan 8.300 nan 0.000 0.500 566 Q N 4.091 123.625 119.800 -0.443 0.000 2.482 566 Q HA 0.286 4.628 4.340 0.002 0.000 0.286 566 Q C -1.464 174.399 176.000 -0.229 0.000 1.007 566 Q CA -1.309 54.378 55.803 -0.194 0.000 0.801 566 Q CB 3.019 31.720 28.738 -0.062 0.000 1.455 566 Q HN 0.627 nan 8.270 nan 0.000 0.398 567 K N 0.547 120.914 120.400 -0.054 0.000 2.183 567 K HA 0.564 4.885 4.320 0.002 0.000 0.274 567 K C -2.563 174.034 176.600 -0.004 0.000 1.009 567 K CA -1.782 54.519 56.287 0.024 0.000 0.888 567 K CB 0.894 33.408 32.500 0.024 0.000 1.078 567 K HN 0.137 nan 8.250 nan 0.000 0.459 568 P HA -0.086 nan 4.420 nan 0.000 0.266 568 P C -1.058 176.226 177.300 -0.027 0.000 1.195 568 P CA -0.073 63.010 63.100 -0.028 0.000 0.768 568 P CB 0.500 32.170 31.700 -0.050 0.000 0.838 569 K N 4.269 124.653 120.400 -0.026 0.000 2.266 569 K HA 0.246 4.567 4.320 0.002 0.000 0.274 569 K C -2.013 174.575 176.600 -0.020 0.000 1.090 569 K CA -1.823 54.453 56.287 -0.019 0.000 0.925 569 K CB -0.167 32.325 32.500 -0.013 0.000 1.225 569 K HN 0.301 nan 8.250 nan 0.000 0.458 570 P HA 0.014 nan 4.420 nan 0.000 0.263 570 P C -1.058 176.237 177.300 -0.009 0.000 1.175 570 P CA -0.075 63.014 63.100 -0.018 0.000 0.761 570 P CB 1.009 32.698 31.700 -0.018 0.000 0.794 576 E N -0.691 119.590 120.200 0.135 0.000 2.330 576 E HA 0.666 5.017 4.350 0.002 0.000 0.256 576 E C -0.367 176.213 176.600 -0.032 0.000 1.146 576 E CA -0.049 56.365 56.400 0.024 0.000 0.945 576 E CB 1.657 31.360 29.700 0.005 0.000 1.182 576 E HN 1.268 nan 8.360 nan 0.000 0.480 577 A N 0.673 123.378 122.820 -0.192 0.000 2.589 577 A HA 0.367 4.688 4.320 0.002 0.000 0.296 577 A C -0.906 176.475 177.584 -0.337 0.000 1.062 577 A CA -0.551 51.379 52.037 -0.179 0.000 0.686 577 A CB 0.973 19.904 19.000 -0.115 0.000 1.282 577 A HN 0.792 nan 8.150 nan 0.000 0.404 578 H N 0.438 119.464 119.070 -0.073 0.000 3.017 578 H HA 0.297 4.853 4.556 0.001 0.000 0.255 578 H C -0.630 174.778 175.328 0.133 0.000 0.990 578 H CA 1.053 57.117 56.048 0.027 0.000 1.205 578 H CB 1.044 30.793 29.762 -0.021 0.000 1.460 578 H HN 0.789 nan 8.280 nan 0.000 0.478 579 F N 0.549 120.503 119.950 0.008 0.000 2.680 579 F HA 0.463 4.991 4.527 0.002 0.000 0.315 579 F C -1.572 174.203 175.800 -0.041 0.000 1.099 579 F CA -1.264 56.660 58.000 -0.127 0.000 1.033 579 F CB 0.875 39.687 39.000 -0.314 0.000 1.285 579 F HN -0.164 nan 8.300 nan 0.000 0.457 580 S N 3.485 119.180 115.700 -0.008 0.000 2.593 580 S HA 0.903 5.375 4.470 0.002 0.000 0.297 580 S C -1.291 173.382 174.600 0.121 0.000 1.112 580 S CA -0.760 57.438 58.200 -0.003 0.000 1.043 580 S CB 2.287 65.463 63.200 -0.040 0.000 1.054 580 S HN 0.761 nan 8.310 nan 0.000 0.516 581 L N 1.255 122.606 121.223 0.214 0.000 2.341 581 L HA 0.586 4.927 4.340 0.002 0.000 0.267 581 L C -0.831 176.129 176.870 0.150 0.000 1.009 581 L CA -0.628 54.330 54.840 0.196 0.000 0.819 581 L CB 2.318 44.532 42.059 0.257 0.000 1.323 581 L HN 0.646 nan 8.230 nan 0.000 0.425 582 V N 3.028 122.982 119.914 0.067 0.000 2.217 582 V HA 0.314 4.436 4.120 0.002 0.000 0.264 582 V C 0.142 176.285 176.094 0.082 0.000 1.107 582 V CA -0.656 61.699 62.300 0.091 0.000 0.913 582 V CB -0.362 31.506 31.823 0.075 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.695 121.845 119.070 0.133 0.000 2.544 583 H HA 0.103 4.660 4.556 0.002 0.000 0.365 583 H C 1.188 176.468 175.328 -0.080 0.000 1.268 583 H CA 0.221 56.321 56.048 0.087 0.000 1.400 583 H CB 1.241 31.132 29.762 0.214 0.000 1.538 583 H HN 0.666 nan 8.280 nan 0.000 0.597 584 Y N -0.016 120.348 120.300 0.106 0.000 2.165 584 Y HA -0.166 4.385 4.550 0.002 0.000 0.286 584 Y C 2.211 178.023 175.900 -0.147 0.000 1.155 584 Y CA 1.090 59.178 58.100 -0.020 0.000 1.164 584 Y CB -0.914 37.534 38.460 -0.019 0.000 0.978 584 Y HN 0.527 nan 8.280 nan 0.000 0.513 585 A N 0.515 122.735 122.820 -1.000 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 -0.355 0.000 1.163 585 A CA 1.323 52.897 52.037 -0.773 0.000 0.652 585 A CB -1.110 16.958 19.000 -1.554 0.000 0.808 585 A HN 0.986 nan 8.150 nan 0.000 0.449 586 G N -2.860 105.807 108.800 -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 0.108 0.000 1.313 586 G CA -0.108 44.978 45.100 -0.023 0.000 0.903 586 G HN 0.201 nan 8.290 nan 0.000 0.490 587 T N 0.644 115.250 114.554 0.087 0.000 2.743 587 T HA 0.550 4.901 4.350 0.002 0.000 0.293 587 T C -0.060 174.669 174.700 0.048 0.000 0.945 587 T CA -0.100 62.056 62.100 0.095 0.000 1.030 587 T CB 1.202 70.093 68.868 0.039 0.000 0.912 587 T HN 0.728 nan 8.240 nan 0.000 0.483 588 V N 4.427 124.372 119.914 0.053 0.000 2.417 588 V HA 0.316 4.437 4.120 0.002 0.000 0.291 588 V C -0.132 175.719 176.094 -0.404 0.000 1.024 588 V CA -1.025 61.118 62.300 -0.260 0.000 0.861 588 V CB 1.811 33.332 31.823 -0.503 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.282 124.432 120.400 -0.417 0.000 2.347 589 D HA 0.325 4.966 4.640 0.002 0.000 0.235 589 D C -0.932 175.078 176.300 -0.484 0.000 1.149 589 D CA 0.112 53.906 54.000 -0.343 0.000 0.850 589 D CB 1.174 41.859 40.800 -0.190 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.288 121.309 120.300 -0.465 0.000 2.342 590 Y HA 0.168 4.719 4.550 0.002 0.000 0.334 590 Y C 1.010 176.662 175.900 -0.413 0.000 1.067 590 Y CA -0.875 56.906 58.100 -0.532 0.000 1.128 590 Y CB 1.186 39.151 38.460 -0.824 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.964 122.605 118.700 -0.098 0.000 2.424 591 N HA 0.275 5.016 4.740 0.002 0.000 0.271 591 N C -1.101 174.226 175.510 -0.305 0.000 0.985 591 N CA -0.304 52.742 53.050 -0.007 0.000 0.921 591 N CB 0.786 39.210 38.487 -0.106 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.864 122.901 120.570 -0.888 0.000 2.261 592 I HA 0.049 4.221 4.170 0.002 0.000 0.285 592 I C 0.196 175.798 176.117 -0.858 0.000 1.113 592 I CA -0.228 60.157 61.300 -1.525 0.000 1.377 592 I CB 0.045 37.374 38.000 -1.118 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.291 117.792 115.700 -0.330 0.000 2.652 593 S HA 0.693 5.164 4.470 0.002 0.000 0.252 593 S C 0.278 174.956 174.600 0.131 0.000 1.219 593 S CA 0.079 58.260 58.200 -0.033 0.000 1.151 593 S CB 1.285 64.512 63.200 0.045 0.000 1.080 593 S HN 0.803 nan 8.310 nan 0.000 0.481 594 G N 2.755 111.619 108.800 0.108 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 0.572 175.468 174.900 -0.008 0.000 1.002 594 G CA 0.083 45.156 45.100 -0.045 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.782 121.915 121.300 -0.279 0.000 2.317 595 W HA 0.113 4.774 4.660 0.003 0.000 0.318 595 W C 2.396 178.614 176.519 -0.501 0.000 1.227 595 W CA 1.491 58.570 57.345 -0.444 0.000 1.269 595 W CB -1.315 27.959 29.460 -0.311 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.373 121.515 121.223 -0.135 0.000 1.997 596 L HA -0.250 4.091 4.340 0.002 0.000 0.216 596 L C 2.486 179.263 176.870 -0.156 0.000 1.074 596 L CA 2.015 56.736 54.840 -0.197 0.000 0.763 596 L CB -1.255 40.725 42.059 -0.131 0.000 0.890 596 L HN 0.025 nan 8.230 nan 0.000 0.434 597 E N -0.564 119.564 120.200 -0.120 0.000 2.007 597 E HA -0.273 4.079 4.350 0.002 0.000 0.194 597 E C 2.304 178.813 176.600 -0.152 0.000 0.999 597 E CA 1.409 57.750 56.400 -0.098 0.000 0.811 597 E CB -0.122 29.529 29.700 -0.082 0.000 0.762 597 E HN 0.385 nan 8.360 nan 0.000 0.450 598 K N 0.484 120.740 120.400 -0.240 0.000 2.127 598 K HA -0.209 4.112 4.320 0.002 0.000 0.208 598 K C 1.871 178.292 176.600 -0.299 0.000 1.047 598 K CA 1.415 57.530 56.287 -0.287 0.000 0.927 598 K CB -0.117 32.118 32.500 -0.441 0.000 0.716 598 K HN -0.049 nan 8.250 nan 0.000 0.450 599 N N 0.544 119.004 118.700 -0.399 0.000 2.494 599 N HA -0.051 4.690 4.740 0.002 0.000 0.182 599 N C 0.858 176.305 175.510 -0.105 0.000 1.076 599 N CA 0.899 53.768 53.050 -0.302 0.000 0.908 599 N CB 0.301 38.557 38.487 -0.384 0.000 0.967 599 N HN 0.135 nan 8.380 nan 0.000 0.449 600 K N -0.574 119.779 120.400 -0.078 0.000 2.323 600 K HA 0.021 4.342 4.320 0.002 0.000 0.197 600 K C 0.327 176.957 176.600 0.049 0.000 1.043 600 K CA 0.246 56.532 56.287 -0.001 0.000 0.997 600 K CB 0.398 32.901 32.500 0.005 0.000 0.807 600 K HN -0.038 nan 8.250 nan 0.000 0.497 601 D N -0.148 120.267 120.400 0.025 0.000 3.786 601 D HA -0.183 4.459 4.640 0.002 0.000 0.217 601 D C -2.368 174.022 176.300 0.149 0.000 1.718 601 D CA 1.808 55.845 54.000 0.061 0.000 2.037 601 D CB -1.552 39.309 40.800 0.102 0.000 1.255 601 D HN 0.166 nan 8.370 nan 0.000 0.598 602 P HA -0.122 nan 4.420 nan 0.000 0.246 602 P C -0.929 176.424 177.300 0.088 0.000 1.053 602 P CA 0.751 63.907 63.100 0.094 0.000 0.754 602 P CB -0.011 31.727 31.700 0.064 0.000 0.614 603 L N 2.494 123.774 121.223 0.095 0.000 2.436 603 L HA 0.412 4.754 4.340 0.002 0.000 0.268 603 L C 0.411 177.261 176.870 -0.033 0.000 0.974 603 L CA -0.694 54.166 54.840 0.034 0.000 0.826 603 L CB 1.559 43.629 42.059 0.020 0.000 1.291 603 L HN 0.310 nan 8.230 nan 0.000 0.406 604 N N 2.173 120.824 118.700 -0.082 0.000 2.406 604 N HA -0.031 4.710 4.740 0.002 0.000 0.274 604 N C 0.623 176.024 175.510 -0.182 0.000 1.249 604 N CA 0.478 53.459 53.050 -0.115 0.000 0.951 604 N CB 0.495 38.911 38.487 -0.118 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.612 121.735 120.200 -0.128 0.000 2.265 605 E HA -0.139 4.212 4.350 0.002 0.000 0.196 605 E C 0.915 177.415 176.600 -0.167 0.000 0.996 605 E CA 1.337 57.654 56.400 -0.138 0.000 0.832 605 E CB 0.172 29.866 29.700 -0.011 0.000 0.756 605 E HN 0.665 nan 8.360 nan 0.000 0.491 606 T N 0.102 114.565 114.554 -0.152 0.000 2.737 606 T HA -0.121 4.230 4.350 0.002 0.000 0.265 606 T C 2.047 176.617 174.700 -0.216 0.000 1.038 606 T CA 1.140 63.156 62.100 -0.140 0.000 1.144 606 T CB -0.155 68.652 68.868 -0.101 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.179 121.918 119.914 -0.292 0.000 2.287 607 V HA -0.158 3.963 4.120 0.002 0.000 0.248 607 V C 2.490 178.109 176.094 -0.792 0.000 1.053 607 V CA 1.418 63.441 62.300 -0.461 0.000 1.027 607 V CB -0.754 30.792 31.823 -0.461 0.000 0.646 607 V HN 0.495 nan 8.190 nan 0.000 0.447 608 I N 1.009 121.096 120.570 -0.804 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 -0.911 0.000 1.392 608 I CB -1.363 36.201 38.000 -0.727 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.583 110.182 108.800 -0.334 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 1.531 176.354 174.900 -0.128 0.000 1.183 609 G CA 0.447 45.449 45.100 -0.164 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.004 121.128 121.223 -0.165 0.000 2.043 610 L HA -0.087 4.254 4.340 0.002 0.000 0.212 610 L C 2.718 179.620 176.870 0.055 0.000 1.075 610 L CA 0.917 55.723 54.840 -0.057 0.000 0.752 610 L CB -1.348 40.680 42.059 -0.051 0.000 0.891 610 L HN 0.235 nan 8.230 nan 0.000 0.432 611 Y N -0.106 120.111 120.300 -0.139 0.000 2.128 611 Y HA -0.252 4.299 4.550 0.002 0.000 0.284 611 Y C 2.745 178.607 175.900 -0.063 0.000 1.154 611 Y CA 0.933 58.954 58.100 -0.132 0.000 1.149 611 Y CB -1.187 37.082 38.460 -0.318 0.000 0.976 611 Y HN 0.322 nan 8.280 nan 0.000 0.505 612 Q N 0.271 120.130 119.800 0.098 0.000 2.308 612 Q HA -0.200 4.141 4.340 0.002 0.000 0.209 612 Q C 0.394 176.429 176.000 0.058 0.000 0.985 612 Q CA 1.711 57.564 55.803 0.082 0.000 0.881 612 Q CB -0.079 28.689 28.738 0.050 0.000 0.917 612 Q HN 0.466 nan 8.270 nan 0.000 0.443 613 K N -0.952 119.476 120.400 0.047 0.000 2.896 613 K HA 0.248 4.569 4.320 0.002 0.000 0.210 613 K C -0.418 176.204 176.600 0.036 0.000 1.116 613 K CA -0.229 56.078 56.287 0.034 0.000 1.050 613 K CB 1.298 33.810 32.500 0.022 0.000 0.812 613 K HN -0.136 nan 8.250 nan 0.000 0.462 614 S N 0.555 116.281 115.700 0.044 0.000 2.600 614 S HA 0.069 4.540 4.470 0.002 0.000 0.265 614 S C 1.104 175.707 174.600 0.005 0.000 1.325 614 S CA -0.490 57.727 58.200 0.030 0.000 1.002 614 S CB 0.667 63.877 63.200 0.018 0.000 0.921 614 S HN 0.429 nan 8.310 nan 0.000 0.554 615 S N 1.089 116.786 115.700 -0.004 0.000 2.528 615 S HA 0.108 4.579 4.470 0.002 0.000 0.219 615 S C 0.239 174.819 174.600 -0.033 0.000 0.985 615 S CA -0.219 57.974 58.200 -0.013 0.000 0.914 615 S CB 0.028 63.223 63.200 -0.009 0.000 0.776 615 S HN 0.470 nan 8.310 nan 0.000 0.526 616 V N 3.152 123.035 119.914 -0.051 0.000 2.218 616 V HA 0.244 4.365 4.120 0.002 0.000 0.261 616 V C 1.093 177.134 176.094 -0.089 0.000 1.142 616 V CA -0.599 61.654 62.300 -0.078 0.000 0.965 616 V CB 0.317 32.077 31.823 -0.106 0.000 1.190 616 V HN 0.291 nan 8.190 nan 0.000 0.478 617 K N 1.450 121.808 120.400 -0.070 0.000 2.090 617 K HA -0.278 4.043 4.320 0.002 0.000 0.218 617 K C 2.131 178.651 176.600 -0.133 0.000 1.055 617 K CA 2.435 58.680 56.287 -0.070 0.000 0.941 617 K CB -0.301 32.174 32.500 -0.043 0.000 0.722 617 K HN 0.663 nan 8.250 nan 0.000 0.458 618 T N 1.752 116.186 114.554 -0.200 0.000 2.635 618 T HA -0.187 4.164 4.350 0.002 0.000 0.267 618 T C 1.715 176.157 174.700 -0.430 0.000 1.040 618 T CA 1.593 63.440 62.100 -0.421 0.000 1.156 618 T CB -0.319 68.252 68.868 -0.495 0.000 0.863 618 T HN 0.146 nan 8.240 nan 0.000 0.430 619 L N 1.431 122.481 121.223 -0.288 0.000 2.042 619 L HA 0.036 4.378 4.340 0.002 0.000 0.210 619 L C 2.587 179.414 176.870 -0.072 0.000 1.076 619 L CA 1.985 56.703 54.840 -0.203 0.000 0.749 619 L CB -1.174 40.776 42.059 -0.181 0.000 0.893 619 L HN 0.234 nan 8.230 nan 0.000 0.432 620 A N -0.670 122.113 122.820 -0.062 0.000 1.883 620 A HA -0.209 4.112 4.320 0.002 0.000 0.217 620 A C 2.239 179.827 177.584 0.007 0.000 1.186 620 A CA 2.061 54.105 52.037 0.012 0.000 0.624 620 A CB -0.971 18.026 19.000 -0.004 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.962 120.206 121.223 -0.092 0.000 1.970 621 L HA -0.194 4.147 4.340 0.002 0.000 0.212 621 L C 2.333 179.139 176.870 -0.107 0.000 1.071 621 L CA 1.594 56.370 54.840 -0.108 0.000 0.751 621 L CB -0.672 41.274 42.059 -0.188 0.000 0.889 621 L HN 0.320 nan 8.230 nan 0.000 0.432 622 L N -1.535 119.542 121.223 -0.244 0.000 2.171 622 L HA -0.253 4.088 4.340 0.002 0.000 0.216 622 L C 0.979 177.709 176.870 -0.233 0.000 1.084 622 L CA 1.752 56.410 54.840 -0.303 0.000 0.771 622 L CB -0.744 41.059 42.059 -0.427 0.000 0.890 622 L HN 0.113 nan 8.230 nan 0.000 0.437 623 F N -1.750 118.196 119.950 -0.007 0.000 2.664 623 F HA 0.429 4.957 4.527 0.002 0.000 0.322 623 F C 1.055 176.910 175.800 0.091 0.000 1.324 623 F CA 0.069 58.114 58.000 0.077 0.000 1.154 623 F CB -0.041 39.012 39.000 0.088 0.000 1.236 623 F HN -0.099 nan 8.300 nan 0.000 0.532 624 A N -0.633 122.302 122.820 0.191 0.000 2.229 624 A HA 0.023 4.344 4.320 0.002 0.000 0.211 624 A C 2.009 179.677 177.584 0.139 0.000 1.193 624 A CA 0.961 53.084 52.037 0.144 0.000 0.879 624 A CB -0.236 18.812 19.000 0.081 0.000 0.911 624 A HN 0.318 nan 8.150 nan 0.000 0.492 625 T N -1.583 113.058 114.554 0.145 0.000 3.148 625 T HA 0.130 4.481 4.350 0.002 0.000 0.253 625 T C 0.435 175.205 174.700 0.117 0.000 1.134 625 T CA -0.069 62.093 62.100 0.103 0.000 1.051 625 T CB -0.607 68.301 68.868 0.067 0.000 0.959 625 T HN 0.315 nan 8.240 nan 0.000 0.525 648 T N 1.114 115.786 114.554 0.198 0.000 2.862 648 T HA 0.418 4.769 4.350 0.002 0.000 0.276 648 T C 0.821 175.607 174.700 0.143 0.000 0.974 648 T CA 0.022 62.201 62.100 0.132 0.000 0.966 648 T CB 1.175 70.095 68.868 0.087 0.000 1.072 648 T HN 0.448 nan 8.240 nan 0.000 0.538 649 V N 1.872 121.853 119.914 0.112 0.000 2.346 649 V HA -0.058 4.063 4.120 0.002 0.000 0.244 649 V C 2.826 179.010 176.094 0.150 0.000 1.037 649 V CA 2.125 64.508 62.300 0.137 0.000 1.029 649 V CB -0.670 31.232 31.823 0.131 0.000 0.663 649 V HN 1.030 nan 8.190 nan 0.000 0.454 650 S N 1.196 116.970 115.700 0.124 0.000 2.442 650 S HA -0.114 4.357 4.470 0.002 0.000 0.236 650 S C 2.063 176.648 174.600 -0.025 0.000 1.007 650 S CA 1.161 59.361 58.200 -0.001 0.000 0.965 650 S CB -0.525 62.567 63.200 -0.180 0.000 0.773 650 S HN 0.548 nan 8.310 nan 0.000 0.504 651 A N 1.866 124.713 122.820 0.044 0.000 1.940 651 A HA 0.052 4.373 4.320 0.002 0.000 0.219 651 A C 2.214 179.839 177.584 0.069 0.000 1.176 651 A CA 1.527 53.598 52.037 0.058 0.000 0.631 651 A CB -0.702 18.363 19.000 0.109 0.000 0.814 651 A HN 0.540 nan 8.150 nan 0.000 0.446 652 L N -2.630 118.665 121.223 0.119 0.000 2.071 652 L HA 0.005 4.346 4.340 0.002 0.000 0.201 652 L C 2.299 179.247 176.870 0.130 0.000 1.076 652 L CA 1.139 56.054 54.840 0.125 0.000 0.755 652 L CB -0.698 41.459 42.059 0.162 0.000 0.915 652 L HN 0.409 nan 8.230 nan 0.000 0.445 653 F N 1.388 121.355 119.950 0.028 0.000 2.076 653 F HA -0.398 4.130 4.527 0.002 0.000 0.294 653 F C 2.578 178.400 175.800 0.037 0.000 1.078 653 F CA 1.962 59.979 58.000 0.029 0.000 1.247 653 F CB -0.438 38.528 39.000 -0.058 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.077 120.280 120.500 -0.238 0.000 2.070 654 R HA -0.178 4.163 4.340 0.002 0.000 0.233 654 R C 2.273 178.479 176.300 -0.156 0.000 1.137 654 R CA 1.797 57.760 56.100 -0.228 0.000 0.945 654 R CB -0.737 29.528 30.300 -0.059 0.000 0.845 654 R HN 0.401 nan 8.270 nan 0.000 0.430 655 E N 0.298 120.461 120.200 -0.062 0.000 2.118 655 E HA -0.203 4.148 4.350 0.002 0.000 0.195 655 E C 1.478 178.064 176.600 -0.023 0.000 0.992 655 E CA 1.640 58.024 56.400 -0.026 0.000 0.804 655 E CB 0.022 29.727 29.700 0.008 0.000 0.741 655 E HN 0.374 nan 8.360 nan 0.000 0.458 656 N N -0.425 118.273 118.700 -0.003 0.000 2.135 656 N HA -0.121 4.620 4.740 0.002 0.000 0.186 656 N C 1.609 177.102 175.510 -0.028 0.000 1.027 656 N CA 0.488 53.586 53.050 0.079 0.000 0.849 656 N CB -0.047 38.587 38.487 0.246 0.000 1.002 656 N HN 0.071 nan 8.380 nan 0.000 0.425 657 L N 1.284 122.360 121.223 -0.245 0.000 2.450 657 L HA -0.013 4.328 4.340 0.002 0.000 0.224 657 L C 0.857 177.558 176.870 -0.282 0.000 1.149 657 L CA 1.528 56.124 54.840 -0.406 0.000 0.816 657 L CB -0.474 41.185 42.059 -0.667 0.000 0.932 657 L HN 0.098 nan 8.230 nan 0.000 0.449 658 N N -0.618 117.977 118.700 -0.175 0.000 2.387 658 N HA -0.061 4.680 4.740 0.002 0.000 0.176 658 N C 1.623 177.074 175.510 -0.098 0.000 1.022 658 N CA 0.881 53.857 53.050 -0.123 0.000 0.883 658 N CB -0.144 38.302 38.487 -0.068 0.000 1.019 658 N HN 0.320 nan 8.380 nan 0.000 0.435 659 K N 0.380 120.741 120.400 -0.065 0.000 2.283 659 K HA -0.052 4.269 4.320 0.002 0.000 0.202 659 K C 1.551 178.121 176.600 -0.050 0.000 1.048 659 K CA 0.725 56.995 56.287 -0.027 0.000 0.948 659 K CB 0.049 32.558 32.500 0.015 0.000 0.742 659 K HN 0.068 nan 8.250 nan 0.000 0.458 660 L N 0.523 121.672 121.223 -0.125 0.000 2.116 660 L HA 0.019 4.360 4.340 0.002 0.000 0.200 660 L C 1.954 178.629 176.870 -0.325 0.000 1.084 660 L CA 1.396 56.079 54.840 -0.261 0.000 0.766 660 L CB -0.442 41.395 42.059 -0.369 0.000 0.930 660 L HN 0.128 nan 8.230 nan 0.000 0.453 661 M N -0.131 119.275 119.600 -0.323 0.000 2.435 661 M HA -0.106 4.375 4.480 0.002 0.000 0.262 661 M C 2.089 178.230 176.300 -0.265 0.000 1.065 661 M CA 1.374 56.458 55.300 -0.360 0.000 1.076 661 M CB -1.470 30.939 32.600 -0.318 0.000 1.403 661 M HN 0.524 nan 8.290 nan 0.000 0.454 662 A N -0.227 122.499 122.820 -0.157 0.000 1.943 662 A HA -0.043 4.278 4.320 0.002 0.000 0.213 662 A C 2.004 179.579 177.584 -0.016 0.000 1.181 662 A CA 0.914 52.909 52.037 -0.069 0.000 0.653 662 A CB -0.352 18.631 19.000 -0.029 0.000 0.833 662 A HN 0.379 nan 8.150 nan 0.000 0.451 663 N N -0.157 118.538 118.700 -0.009 0.000 2.270 663 N HA -0.055 4.686 4.740 0.002 0.000 0.181 663 N C 1.386 176.984 175.510 0.147 0.000 1.016 663 N CA 0.757 53.891 53.050 0.139 0.000 0.870 663 N CB -0.234 38.368 38.487 0.192 0.000 0.979 663 N HN 0.276 nan 8.380 nan 0.000 0.431 664 L N 1.472 122.643 121.223 -0.087 0.000 2.141 664 L HA 0.009 4.350 4.340 0.002 0.000 0.209 664 L C 2.169 178.999 176.870 -0.067 0.000 1.094 664 L CA 1.187 55.909 54.840 -0.197 0.000 0.763 664 L CB -0.351 41.323 42.059 -0.641 0.000 0.908 664 L HN 0.082 nan 8.230 nan 0.000 0.437 665 R N -0.997 119.482 120.500 -0.035 0.000 2.062 665 R HA -0.007 4.334 4.340 0.002 0.000 0.229 665 R C 1.587 177.973 176.300 0.143 0.000 1.128 665 R CA 1.359 57.536 56.100 0.130 0.000 0.960 665 R CB -0.511 29.834 30.300 0.076 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.735 116.506 115.700 0.117 0.000 3.009 666 S HA 0.060 4.531 4.470 0.002 0.000 0.243 666 S C 0.045 174.688 174.600 0.071 0.000 1.012 666 S CA 0.091 58.356 58.200 0.108 0.000 1.113 666 S CB 0.026 63.313 63.200 0.145 0.000 0.827 666 S HN 0.090 nan 8.310 nan 0.000 0.495 667 T N 1.195 115.800 114.554 0.084 0.000 2.906 667 T HA 0.271 4.622 4.350 0.002 0.000 0.295 667 T C -0.919 173.828 174.700 0.079 0.000 1.061 667 T CA -0.664 61.458 62.100 0.037 0.000 1.000 667 T CB 1.428 70.348 68.868 0.087 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.886 122.876 119.070 -0.134 0.000 2.872 668 H HA 0.281 4.838 4.556 0.002 0.000 0.273 668 H C -2.354 172.724 175.328 -0.415 0.000 1.205 668 H CA -2.551 53.347 56.048 -0.251 0.000 1.342 668 H CB 0.545 30.137 29.762 -0.284 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.013 nan 4.420 nan 0.000 0.267 669 P C -0.881 175.794 177.300 -1.043 0.000 1.205 669 P CA 0.501 63.200 63.100 -0.668 0.000 0.765 669 P CB 0.647 31.858 31.700 -0.815 0.000 0.828 670 H N 2.869 121.561 119.070 -0.630 0.000 2.658 670 H HA 0.342 4.899 4.556 0.002 0.000 0.337 670 H C -0.477 174.644 175.328 -0.345 0.000 1.009 670 H CA -0.302 55.508 56.048 -0.396 0.000 1.231 670 H CB 0.631 30.248 29.762 -0.241 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.902 121.975 119.950 0.206 0.000 2.421 671 F HA 0.419 4.947 4.527 0.002 0.000 0.337 671 F C 0.299 176.263 175.800 0.272 0.000 1.105 671 F CA -0.775 57.385 58.000 0.267 0.000 1.049 671 F CB 1.602 40.835 39.000 0.388 0.000 1.139 671 F HN 0.089 nan 8.300 nan 0.000 0.479 672 V N 3.967 124.111 119.914 0.384 0.000 2.524 672 V HA 0.521 4.642 4.120 0.002 0.000 0.297 672 V C -0.736 175.442 176.094 0.139 0.000 1.035 672 V CA -0.897 61.541 62.300 0.230 0.000 0.867 672 V CB 1.669 33.569 31.823 0.128 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.546 123.077 120.500 0.052 0.000 2.288 673 R HA 0.554 4.895 4.340 0.002 0.000 0.326 673 R C -0.795 175.477 176.300 -0.046 0.000 0.959 673 R CA -0.682 55.368 56.100 -0.083 0.000 0.834 673 R CB 1.126 31.231 30.300 -0.325 0.000 1.157 673 R HN 0.715 nan 8.270 nan 0.000 0.470 674 C N 4.348 123.630 119.300 -0.030 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 -0.025 0.000 1.935 674 C CB -0.250 27.491 27.740 0.002 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.216 123.730 120.570 -0.092 0.000 2.646 675 I HA 0.518 4.689 4.170 0.002 0.000 0.299 675 I C -0.261 175.770 176.117 -0.145 0.000 1.036 675 I CA -0.311 60.916 61.300 -0.121 0.000 1.074 675 I CB 1.475 39.379 38.000 -0.160 0.000 1.258 675 I HN 0.577 nan 8.210 nan 0.000 0.430 676 I N 7.509 128.014 120.570 -0.109 0.000 2.420 676 I HA 0.362 4.533 4.170 0.002 0.000 0.282 676 I C -1.916 174.162 176.117 -0.065 0.000 1.019 676 I CA -2.349 58.906 61.300 -0.074 0.000 1.130 676 I CB 2.063 40.073 38.000 0.017 0.000 1.262 676 I HN 0.379 nan 8.210 nan 0.000 0.454 677 P HA -0.105 nan 4.420 nan 0.000 0.211 677 P C -0.823 176.503 177.300 0.043 0.000 1.179 677 P CA 1.300 64.347 63.100 -0.089 0.000 0.910 677 P CB -0.072 31.581 31.700 -0.078 0.000 0.785 678 N N -2.433 116.365 118.700 0.162 0.000 2.287 678 N HA 0.193 4.934 4.740 0.002 0.000 0.289 678 N C 0.164 175.740 175.510 0.111 0.000 1.066 678 N CA -0.780 52.339 53.050 0.116 0.000 0.841 678 N CB 1.041 39.596 38.487 0.113 0.000 1.599 678 N HN -0.187 nan 8.380 nan 0.000 0.476 679 E N -0.166 120.065 120.200 0.052 0.000 2.219 679 E HA -0.212 4.139 4.350 0.002 0.000 0.198 679 E C 0.944 177.538 176.600 -0.010 0.000 0.998 679 E CA 1.892 58.308 56.400 0.027 0.000 0.818 679 E CB -0.123 29.583 29.700 0.010 0.000 0.741 679 E HN 0.846 nan 8.360 nan 0.000 0.477 680 T N -1.422 113.124 114.554 -0.015 0.000 3.160 680 T HA 0.008 4.360 4.350 0.002 0.000 0.257 680 T C 0.540 175.166 174.700 -0.123 0.000 1.147 680 T CA 0.063 62.133 62.100 -0.049 0.000 1.064 680 T CB -0.151 68.702 68.868 -0.026 0.000 0.949 680 T HN 0.035 nan 8.240 nan 0.000 0.526 681 K N 1.174 121.437 120.400 -0.228 0.000 3.585 681 K HA -0.115 4.206 4.320 0.002 0.000 0.275 681 K C -1.082 175.304 176.600 -0.356 0.000 1.026 681 K CA 0.544 56.453 56.287 -0.630 0.000 0.800 681 K CB -1.809 30.388 32.500 -0.505 0.000 1.401 681 K HN 0.544 nan 8.250 nan 0.000 0.453 682 T N 1.608 116.132 114.554 -0.050 0.000 2.937 682 T HA 0.384 4.735 4.350 0.002 0.000 0.297 682 T C -2.610 172.301 174.700 0.351 0.000 0.991 682 T CA -1.372 60.802 62.100 0.123 0.000 0.990 682 T CB 2.130 71.059 68.868 0.102 0.000 0.991 682 T HN -0.021 nan 8.240 nan 0.000 0.440 683 P HA 0.313 nan 4.420 nan 0.000 0.272 683 P C 1.043 178.492 177.300 0.248 0.000 1.230 683 P CA 0.334 63.671 63.100 0.396 0.000 0.788 683 P CB 0.309 32.229 31.700 0.367 0.000 0.949 684 G N -0.391 108.368 108.800 -0.068 0.000 2.187 684 G HA2 -0.057 3.904 3.960 0.002 0.000 0.261 684 G HA3 -0.057 3.904 3.960 0.002 0.000 0.261 684 G C 0.262 175.029 174.900 -0.221 0.000 1.000 684 G CA 0.368 45.086 45.100 -0.637 0.000 0.718 684 G HN 0.898 nan 8.290 nan 0.000 0.519 685 A N -1.241 121.714 122.820 0.225 0.000 2.430 685 A HA 0.990 5.311 4.320 0.002 0.000 0.300 685 A C -0.446 177.328 177.584 0.317 0.000 1.124 685 A CA -0.060 52.120 52.037 0.239 0.000 0.766 685 A CB 1.861 20.945 19.000 0.140 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.110 120.797 119.600 0.145 0.000 2.255 686 M HA 0.327 4.809 4.480 0.002 0.000 0.275 686 M C -1.510 174.807 176.300 0.028 0.000 1.050 686 M CA 0.084 55.428 55.300 0.072 0.000 0.978 686 M CB 1.712 34.350 32.600 0.064 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.096 123.303 120.200 0.012 0.000 2.331 687 E HA 0.202 4.553 4.350 0.002 0.000 0.272 687 E C -0.029 176.610 176.600 0.064 0.000 1.036 687 E CA -0.351 56.032 56.400 -0.029 0.000 0.864 687 E CB 0.974 30.657 29.700 -0.029 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.941 120.969 119.070 -0.071 0.000 2.312 688 H HA -0.156 4.402 4.556 0.002 0.000 0.299 688 H C 1.948 177.251 175.328 -0.043 0.000 1.051 688 H CA 0.987 56.982 56.048 -0.087 0.000 1.227 688 H CB 0.193 29.902 29.762 -0.088 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.333 121.623 120.200 0.150 0.000 2.273 689 E HA -0.205 4.146 4.350 0.002 0.000 0.198 689 E C 2.205 178.896 176.600 0.152 0.000 1.002 689 E CA 0.874 57.348 56.400 0.122 0.000 0.828 689 E CB -0.113 29.646 29.700 0.097 0.000 0.747 689 E HN 0.378 nan 8.360 nan 0.000 0.491 690 L N 0.070 121.342 121.223 0.082 0.000 2.044 690 L HA -0.128 4.213 4.340 0.002 0.000 0.205 690 L C 2.317 179.220 176.870 0.056 0.000 1.075 690 L CA 1.056 55.925 54.840 0.049 0.000 0.747 690 L CB -0.130 41.935 42.059 0.009 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.015 119.942 119.914 0.021 0.000 2.427 691 V HA -0.259 3.862 4.120 0.002 0.000 0.248 691 V C 2.553 178.633 176.094 -0.023 0.000 1.051 691 V CA 1.772 64.054 62.300 -0.030 0.000 1.048 691 V CB -0.605 31.170 31.823 -0.080 0.000 0.666 691 V HN 0.425 nan 8.190 nan 0.000 0.456 692 L N -0.734 120.489 121.223 -0.000 0.000 2.013 692 L HA -0.262 4.079 4.340 0.002 0.000 0.212 692 L C 2.584 179.420 176.870 -0.058 0.000 1.073 692 L CA 2.002 56.825 54.840 -0.028 0.000 0.753 692 L CB -0.687 41.374 42.059 0.003 0.000 0.890 692 L HN 0.389 nan 8.230 nan 0.000 0.432 693 H N -0.091 118.954 119.070 -0.043 0.000 2.251 693 H HA -0.237 4.320 4.556 0.002 0.000 0.294 693 H C 2.423 177.715 175.328 -0.060 0.000 1.078 693 H CA 2.234 58.255 56.048 -0.045 0.000 1.246 693 H CB -0.122 29.617 29.762 -0.038 0.000 1.358 693 H HN 0.349 nan 8.280 nan 0.000 0.488 694 Q N -0.345 119.506 119.800 0.084 0.000 2.112 694 Q HA -0.191 4.150 4.340 0.002 0.000 0.206 694 Q C 2.263 178.219 176.000 -0.074 0.000 0.987 694 Q CA 1.494 57.297 55.803 -0.000 0.000 0.858 694 Q CB -0.351 28.372 28.738 -0.026 0.000 0.905 694 Q HN 0.319 nan 8.270 nan 0.000 0.420 695 L N 0.934 122.101 121.223 -0.094 0.000 2.127 695 L HA -0.191 4.150 4.340 0.002 0.000 0.211 695 L C 2.399 179.189 176.870 -0.134 0.000 1.089 695 L CA 1.762 56.522 54.840 -0.134 0.000 0.757 695 L CB -0.419 41.567 42.059 -0.122 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.092 118.335 120.500 -0.122 0.000 2.075 696 R HA -0.027 4.314 4.340 0.002 0.000 0.226 696 R C 2.134 178.396 176.300 -0.064 0.000 1.114 696 R CA 1.494 57.528 56.100 -0.109 0.000 0.972 696 R CB -0.853 29.353 30.300 -0.157 0.000 0.869 696 R HN 0.326 nan 8.270 nan 0.000 0.437 697 C N 0.675 119.930 119.300 -0.076 0.000 2.539 697 C HA 0.104 4.565 4.460 0.002 0.000 0.268 697 C C 1.960 176.956 174.990 0.009 0.000 1.395 697 C CA 0.035 59.025 59.018 -0.047 0.000 1.757 697 C CB -1.448 26.284 27.740 -0.013 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.205 118.845 118.700 -0.101 0.000 2.173 698 N HA 0.104 4.846 4.740 0.002 0.000 0.184 698 N C 1.668 176.957 175.510 -0.368 0.000 1.025 698 N CA 1.288 54.201 53.050 -0.230 0.000 0.852 698 N CB 0.028 38.301 38.487 -0.357 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.729 107.857 108.800 -0.356 0.000 2.255 699 G HA2 -0.216 3.745 3.960 0.002 0.000 0.196 699 G HA3 -0.216 3.745 3.960 0.002 0.000 0.196 699 G C 0.854 175.598 174.900 -0.260 0.000 0.998 699 G CA 0.172 45.033 45.100 -0.397 0.000 0.656 699 G HN 0.149 nan 8.290 nan 0.000 0.490 700 V N 0.758 120.431 119.914 -0.401 0.000 2.287 700 V HA -0.114 4.007 4.120 0.002 0.000 0.248 700 V C 2.695 178.791 176.094 0.003 0.000 1.053 700 V CA 2.319 64.530 62.300 -0.148 0.000 1.027 700 V CB -0.307 31.355 31.823 -0.268 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.676 120.504 121.223 -0.073 0.000 2.376 701 L HA -0.010 4.331 4.340 0.002 0.000 0.219 701 L C 2.256 179.105 176.870 -0.034 0.000 1.133 701 L CA 1.533 56.341 54.840 -0.053 0.000 0.816 701 L CB -0.786 41.229 42.059 -0.073 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.130 119.053 120.200 -0.030 0.000 2.318 702 E HA 0.010 4.361 4.350 0.002 0.000 0.193 702 E C 1.961 178.565 176.600 0.007 0.000 0.998 702 E CA 0.689 57.074 56.400 -0.026 0.000 0.859 702 E CB 0.243 29.905 29.700 -0.064 0.000 0.812 702 E HN 0.481 nan 8.360 nan 0.000 0.492 703 G N 0.737 109.594 108.800 0.096 0.000 2.464 703 G HA2 -0.150 3.811 3.960 0.002 0.000 0.217 703 G HA3 -0.150 3.811 3.960 0.002 0.000 0.217 703 G C 1.483 176.377 174.900 -0.011 0.000 1.138 703 G CA 0.043 45.216 45.100 0.122 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.325 120.891 120.570 -0.006 0.000 2.286 704 I HA 0.115 4.286 4.170 0.002 0.000 0.245 704 I C 2.695 178.759 176.117 -0.089 0.000 1.104 704 I CA 0.510 61.781 61.300 -0.049 0.000 1.397 704 I CB -0.333 37.643 38.000 -0.040 0.000 1.072 704 I HN -0.029 nan 8.210 nan 0.000 0.417 705 R N 0.442 120.894 120.500 -0.081 0.000 2.103 705 R HA -0.135 4.206 4.340 0.002 0.000 0.234 705 R C 2.262 178.476 176.300 -0.143 0.000 1.132 705 R CA 1.843 57.889 56.100 -0.090 0.000 0.925 705 R CB -0.616 29.646 30.300 -0.064 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.315 120.119 120.570 -0.227 0.000 2.423 706 I HA -0.384 3.787 4.170 0.002 0.000 0.254 706 I C 2.187 178.093 176.117 -0.352 0.000 1.151 706 I CA 0.830 61.862 61.300 -0.445 0.000 1.421 706 I CB -0.224 37.352 38.000 -0.707 0.000 1.079 706 I HN 0.370 nan 8.210 nan 0.000 0.431 707 C N 0.578 119.737 119.300 -0.236 0.000 2.500 707 C HA -0.109 4.352 4.460 0.002 0.000 0.279 707 C C 2.817 177.708 174.990 -0.165 0.000 1.288 707 C CA 0.676 59.583 59.018 -0.186 0.000 1.710 707 C CB -0.884 26.769 27.740 -0.145 0.000 2.052 707 C HN 0.516 nan 8.230 nan 0.000 0.488 708 R N 0.712 121.118 120.500 -0.157 0.000 2.369 708 R HA -0.022 4.319 4.340 0.002 0.000 0.200 708 R C 1.378 177.578 176.300 -0.167 0.000 1.046 708 R CA 1.164 57.167 56.100 -0.161 0.000 1.057 708 R CB -0.309 29.904 30.300 -0.145 0.000 0.888 708 R HN 0.487 nan 8.270 nan 0.000 0.474 709 K N -0.336 119.976 120.400 -0.147 0.000 2.354 709 K HA 0.151 4.472 4.320 0.002 0.000 0.194 709 K C 1.086 177.579 176.600 -0.180 0.000 1.045 709 K CA 0.382 56.613 56.287 -0.093 0.000 1.026 709 K CB 0.893 33.416 32.500 0.039 0.000 0.866 709 K HN 0.337 nan 8.250 nan 0.000 0.530 710 G N 0.413 109.079 108.800 -0.223 0.000 3.286 710 G HA2 0.184 4.145 3.960 0.002 0.000 0.173 710 G HA3 0.184 4.145 3.960 0.002 0.000 0.173 710 G C -0.637 173.681 174.900 -0.971 0.000 1.704 710 G CA -0.389 44.473 45.100 -0.397 0.000 1.041 710 G HN 0.054 nan 8.290 nan 0.000 0.561 711 F N 1.793 121.375 119.950 -0.614 0.000 2.363 711 F HA 0.376 4.904 4.527 0.002 0.000 0.366 711 F C -1.538 174.190 175.800 -0.121 0.000 1.083 711 F CA -1.678 56.052 58.000 -0.449 0.000 1.176 711 F CB 2.050 40.678 39.000 -0.620 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 0.106 177.402 177.300 -0.007 0.000 0.967 712 P CA 0.975 64.064 63.100 -0.020 0.000 0.946 712 P CB -0.270 31.383 31.700 -0.077 0.000 0.690 713 S N 1.275 116.964 115.700 -0.019 0.000 2.544 713 S HA 0.130 4.601 4.470 0.002 0.000 0.290 713 S C 0.340 174.899 174.600 -0.069 0.000 1.276 713 S CA -0.239 57.942 58.200 -0.032 0.000 1.075 713 S CB -0.509 62.676 63.200 -0.025 0.000 0.849 713 S HN 0.181 nan 8.310 nan 0.000 0.494 714 R N 1.342 121.725 120.500 -0.195 0.000 2.473 714 R HA 0.525 4.866 4.340 0.002 0.000 0.303 714 R C -1.674 174.460 176.300 -0.277 0.000 1.002 714 R CA -0.821 55.009 56.100 -0.451 0.000 0.884 714 R CB 0.784 30.503 30.300 -0.968 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.479 124.286 119.914 -0.179 0.000 2.465 715 V HA 0.219 4.340 4.120 0.002 0.000 0.279 715 V C 0.374 176.343 176.094 -0.207 0.000 1.045 715 V CA -0.836 61.424 62.300 -0.067 0.000 0.938 715 V CB 1.496 33.431 31.823 0.185 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.453 125.626 121.223 -0.084 0.000 2.380 716 L HA 0.257 4.598 4.340 0.002 0.000 0.273 716 L C 0.866 177.782 176.870 0.077 0.000 1.138 716 L CA 0.235 55.038 54.840 -0.062 0.000 0.832 716 L CB 0.574 42.645 42.059 0.019 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.310 123.685 120.300 0.126 0.000 2.062 717 Y HA -0.378 4.173 4.550 0.002 0.000 0.276 717 Y C 2.227 178.268 175.900 0.235 0.000 1.189 717 Y CA 2.104 60.313 58.100 0.182 0.000 1.130 717 Y CB -0.858 37.679 38.460 0.128 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.173 122.841 122.820 0.323 0.000 1.898 718 A HA -0.188 4.133 4.320 0.002 0.000 0.216 718 A C 1.813 179.513 177.584 0.193 0.000 1.181 718 A CA 1.898 54.067 52.037 0.221 0.000 0.620 718 A CB -0.926 18.165 19.000 0.151 0.000 0.819 718 A HN 0.446 nan 8.150 nan 0.000 0.442 719 D N -1.776 118.735 120.400 0.185 0.000 2.311 719 D HA -0.100 4.541 4.640 0.002 0.000 0.212 719 D C 1.298 177.727 176.300 0.214 0.000 0.972 719 D CA 1.003 55.092 54.000 0.148 0.000 0.887 719 D CB -0.159 40.713 40.800 0.119 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.462 120.510 119.950 0.163 0.000 2.446 720 F HA 0.190 4.718 4.527 0.002 0.000 0.292 720 F C 1.912 177.871 175.800 0.266 0.000 1.096 720 F CA 0.567 58.707 58.000 0.233 0.000 1.438 720 F CB 0.209 39.331 39.000 0.204 0.000 1.107 720 F HN -0.304 nan 8.300 nan 0.000 0.546 721 K N 0.404 120.956 120.400 0.254 0.000 1.963 721 K HA -0.267 4.054 4.320 0.002 0.000 0.216 721 K C 2.168 178.776 176.600 0.013 0.000 1.045 721 K CA 1.886 58.259 56.287 0.144 0.000 0.954 721 K CB -0.528 32.071 32.500 0.166 0.000 0.732 721 K HN 0.296 nan 8.250 nan 0.000 0.442 722 Q N 0.707 120.518 119.800 0.019 0.000 2.045 722 Q HA -0.310 4.031 4.340 0.002 0.000 0.215 722 Q C 2.055 177.980 176.000 -0.126 0.000 1.026 722 Q CA 2.302 58.083 55.803 -0.037 0.000 0.885 722 Q CB -0.227 28.498 28.738 -0.022 0.000 0.984 722 Q HN 0.177 nan 8.270 nan 0.000 0.414 723 R N -1.395 118.985 120.500 -0.200 0.000 2.152 723 R HA -0.126 4.215 4.340 0.002 0.000 0.232 723 R C 0.930 176.805 176.300 -0.708 0.000 1.117 723 R CA 1.602 57.426 56.100 -0.461 0.000 0.981 723 R CB 0.095 30.043 30.300 -0.586 0.000 0.870 723 R HN 0.526 nan 8.270 nan 0.000 0.451 724 Y N -1.798 118.305 120.300 -0.329 0.000 2.527 724 Y HA 0.233 4.784 4.550 0.002 0.000 0.247 724 Y C 1.820 177.591 175.900 -0.214 0.000 1.138 724 Y CA -0.510 57.386 58.100 -0.340 0.000 1.228 724 Y CB 0.125 38.215 38.460 -0.617 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.695 121.173 120.500 -0.036 0.000 2.159 725 R HA -0.212 4.130 4.340 0.002 0.000 0.252 725 R C 1.585 177.888 176.300 0.004 0.000 1.144 725 R CA 2.291 58.392 56.100 0.002 0.000 0.961 725 R CB -0.604 29.694 30.300 -0.004 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 2.167 178.259 176.094 -0.003 0.000 1.108 726 V CA 1.545 63.831 62.300 -0.024 0.000 1.129 726 V CB -0.483 31.306 31.823 -0.056 0.000 0.701 726 V HN 0.332 nan 8.190 nan 0.000 0.495 727 L N -0.587 120.647 121.223 0.019 0.000 2.217 727 L HA 0.020 4.361 4.340 0.002 0.000 0.211 727 L C 1.656 178.548 176.870 0.037 0.000 1.107 727 L CA 1.512 56.373 54.840 0.035 0.000 0.783 727 L CB -0.133 41.963 42.059 0.061 0.000 0.919 727 L HN 0.402 nan 8.230 nan 0.000 0.442 728 N N -1.533 117.191 118.700 0.040 0.000 2.393 728 N HA 0.094 4.835 4.740 0.002 0.000 0.256 728 N C 1.091 176.625 175.510 0.040 0.000 1.449 728 N CA 0.562 53.638 53.050 0.044 0.000 0.887 728 N CB 0.617 39.141 38.487 0.061 0.000 1.374 728 N HN 0.081 nan 8.380 nan 0.000 0.503 729 A N 0.514 123.352 122.820 0.029 0.000 2.195 729 A HA -0.290 4.031 4.320 0.002 0.000 0.225 729 A C 2.099 179.696 177.584 0.021 0.000 1.176 729 A CA 2.524 54.574 52.037 0.022 0.000 0.681 729 A CB -0.618 18.386 19.000 0.007 0.000 0.817 729 A HN 0.530 nan 8.150 nan 0.000 0.487 730 S N -0.837 114.876 115.700 0.021 0.000 2.496 730 S HA 0.362 4.833 4.470 0.002 0.000 0.224 730 S C 1.378 175.993 174.600 0.025 0.000 0.996 730 S CA 0.677 58.886 58.200 0.016 0.000 0.927 730 S CB -0.494 62.714 63.200 0.012 0.000 0.774 730 S HN 1.233 nan 8.310 nan 0.000 0.524 731 A N 1.130 123.974 122.820 0.040 0.000 2.558 731 A HA 0.505 4.826 4.320 0.002 0.000 0.235 731 A C 1.588 179.199 177.584 0.046 0.000 1.677 731 A CA 0.733 52.799 52.037 0.049 0.000 1.531 731 A CB -1.745 17.298 19.000 0.070 0.000 0.841 731 A HN 0.906 nan 8.150 nan 0.000 0.631 732 I N 0.648 121.231 120.570 0.022 0.000 2.270 732 I HA 0.017 4.188 4.170 0.002 0.000 0.239 732 I C 0.823 176.935 176.117 -0.007 0.000 1.080 732 I CA 1.422 62.726 61.300 0.007 0.000 1.383 732 I CB -2.020 35.976 38.000 -0.006 0.000 1.097 732 I HN 0.479 nan 8.210 nan 0.000 0.420 733 P HA -0.232 nan 4.420 nan 0.000 0.215 733 P C 1.398 178.705 177.300 0.012 0.000 1.157 733 P CA 1.857 64.925 63.100 -0.054 0.000 0.868 733 P CB -0.215 31.453 31.700 -0.052 0.000 0.788 734 E N -0.707 119.522 120.200 0.047 0.000 2.358 734 E HA -0.010 4.341 4.350 0.002 0.000 0.195 734 E C 2.074 178.720 176.600 0.077 0.000 1.010 734 E CA 0.665 57.112 56.400 0.080 0.000 0.856 734 E CB -0.433 29.302 29.700 0.060 0.000 0.795 734 E HN 0.289 nan 8.360 nan 0.000 0.504 735 G N 0.027 108.864 108.800 0.061 0.000 2.683 735 G HA2 -0.147 3.814 3.960 0.002 0.000 0.213 735 G HA3 -0.147 3.814 3.960 0.002 0.000 0.213 735 G C 1.341 176.283 174.900 0.070 0.000 1.142 735 G CA -0.039 45.101 45.100 0.066 0.000 0.793 735 G HN 0.125 nan 8.290 nan 0.000 0.534 736 Q N -0.850 118.987 119.800 0.062 0.000 2.324 736 Q HA 0.266 4.607 4.340 0.002 0.000 0.207 736 Q C 0.354 176.444 176.000 0.149 0.000 0.928 736 Q CA -0.328 55.513 55.803 0.063 0.000 0.890 736 Q CB 0.163 28.898 28.738 -0.005 0.000 1.001 736 Q HN 0.450 nan 8.270 nan 0.000 0.517 737 F N 1.739 121.694 119.950 0.008 0.000 2.685 737 F HA 0.058 4.586 4.527 0.002 0.000 0.349 737 F C 0.114 175.915 175.800 0.002 0.000 1.294 737 F CA -0.541 57.462 58.000 0.004 0.000 1.201 737 F CB 0.152 39.153 39.000 0.002 0.000 1.615 737 F HN 0.173 nan 8.300 nan 0.000 0.674 738 M N 1.495 121.188 119.600 0.155 0.000 2.948 738 M HA 0.301 4.782 4.480 0.002 0.000 0.278 738 M C -1.555 174.771 176.300 0.043 0.000 1.293 738 M CA -0.603 54.753 55.300 0.093 0.000 0.777 738 M CB 1.659 34.314 32.600 0.092 0.000 1.713 738 M HN 0.047 nan 8.290 nan 0.000 0.444 739 D N -0.956 119.456 120.400 0.019 0.000 2.198 739 D HA 0.387 5.028 4.640 0.002 0.000 0.247 739 D C 0.203 176.498 176.300 -0.009 0.000 1.010 739 D CA 0.095 54.089 54.000 -0.010 0.000 0.880 739 D CB 1.882 42.655 40.800 -0.044 0.000 1.209 739 D HN 0.488 nan 8.370 nan 0.000 0.451 740 S N 2.475 118.171 115.700 -0.006 0.000 2.447 740 S HA -0.131 4.340 4.470 0.002 0.000 0.233 740 S C 1.440 175.993 174.600 -0.079 0.000 1.006 740 S CA 1.615 59.829 58.200 0.024 0.000 0.957 740 S CB -0.096 63.142 63.200 0.063 0.000 0.773 740 S HN 0.545 nan 8.310 nan 0.000 0.507 741 K N 0.701 120.949 120.400 -0.254 0.000 2.159 741 K HA 0.197 4.518 4.320 0.002 0.000 0.210 741 K C 2.182 178.487 176.600 -0.491 0.000 1.026 741 K CA 0.373 56.227 56.287 -0.721 0.000 0.959 741 K CB -0.552 31.541 32.500 -0.677 0.000 0.890 741 K HN 0.088 nan 8.250 nan 0.000 0.459 742 K N 0.566 120.810 120.400 -0.259 0.000 2.242 742 K HA -0.213 4.108 4.320 0.002 0.000 0.206 742 K C 1.810 178.369 176.600 -0.068 0.000 1.045 742 K CA 1.338 57.534 56.287 -0.153 0.000 0.930 742 K CB -0.242 32.200 32.500 -0.098 0.000 0.726 742 K HN 0.362 nan 8.250 nan 0.000 0.462 743 A N 0.795 123.594 122.820 -0.033 0.000 1.834 743 A HA -0.184 4.137 4.320 0.002 0.000 0.216 743 A C 2.133 179.806 177.584 0.149 0.000 1.203 743 A CA 2.285 54.360 52.037 0.063 0.000 0.621 743 A CB -1.017 18.035 19.000 0.087 0.000 0.841 743 A HN 0.423 nan 8.150 nan 0.000 0.446 744 S N 0.014 115.850 115.700 0.227 0.000 2.407 744 S HA -0.233 4.238 4.470 0.002 0.000 0.235 744 S C 1.832 176.652 174.600 0.366 0.000 1.036 744 S CA 1.478 59.934 58.200 0.426 0.000 1.013 744 S CB -0.431 63.114 63.200 0.575 0.000 0.820 744 S HN 0.583 nan 8.310 nan 0.000 0.476 745 E N 1.249 121.597 120.200 0.246 0.000 2.001 745 E HA -0.166 4.185 4.350 0.002 0.000 0.195 745 E C 2.177 178.883 176.600 0.177 0.000 1.002 745 E CA 1.203 57.710 56.400 0.178 0.000 0.819 745 E CB -0.258 29.359 29.700 -0.138 0.000 0.769 745 E HN 0.283 nan 8.360 nan 0.000 0.454 746 K N 0.957 121.416 120.400 0.099 0.000 2.089 746 K HA -0.173 4.148 4.320 0.002 0.000 0.210 746 K C 2.273 178.965 176.600 0.155 0.000 1.048 746 K CA 1.032 57.381 56.287 0.104 0.000 0.926 746 K CB -0.594 31.950 32.500 0.073 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.109 121.448 121.223 0.194 0.000 1.990 747 L HA -0.214 4.127 4.340 0.002 0.000 0.213 747 L C 1.759 178.747 176.870 0.197 0.000 1.072 747 L CA 1.389 56.351 54.840 0.204 0.000 0.755 747 L CB -0.234 41.983 42.059 0.264 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.059 121.415 121.223 0.221 0.000 2.651 748 L HA -0.151 4.190 4.340 0.002 0.000 0.236 748 L C 2.364 179.365 176.870 0.218 0.000 1.173 748 L CA 1.050 55.966 54.840 0.126 0.000 0.843 748 L CB -1.166 40.867 42.059 -0.044 0.000 0.964 748 L HN 0.364 nan 8.230 nan 0.000 0.454 749 G N -0.804 108.146 108.800 0.250 0.000 2.513 749 G HA2 -0.276 3.685 3.960 0.002 0.000 0.219 749 G HA3 -0.276 3.685 3.960 0.002 0.000 0.219 749 G C 1.042 176.116 174.900 0.291 0.000 1.160 749 G CA 0.921 46.180 45.100 0.265 0.000 0.767 749 G HN 0.537 nan 8.290 nan 0.000 0.571 750 S N -1.043 114.778 115.700 0.201 0.000 2.681 750 S HA 0.849 5.320 4.470 0.002 0.000 0.270 750 S C 0.227 174.928 174.600 0.169 0.000 1.209 750 S CA 0.517 58.821 58.200 0.173 0.000 0.988 750 S CB 0.458 nan 63.200 nan 0.000 1.006 750 S HN 2.258 nan 8.310 nan 0.000 0.558 751 I N -0.544 120.114 120.570 0.147 0.000 7.408 751 I HA 0.161 4.332 4.170 0.002 0.000 0.310 751 I C -0.250 175.972 176.117 0.175 0.000 1.874 751 I CA 0.051 61.423 61.300 0.120 0.000 2.007 751 I CB -1.028 nan 38.000 nan 0.000 3.642 751 I HN 1.205 nan 8.210 nan 0.000 0.217 752 D N 3.252 123.729 120.400 0.128 0.000 2.870 752 D HA 0.495 5.136 4.640 0.002 0.000 0.241 752 D C 0.197 176.588 176.300 0.151 0.000 1.234 752 D CA 0.750 54.834 54.000 0.141 0.000 0.844 752 D CB 0.103 40.961 40.800 0.095 0.000 1.051 752 D HN 1.748 nan 8.370 nan 0.000 0.469 753 V N -1.786 118.234 119.914 0.178 0.000 2.644 753 V HA 0.291 4.412 4.120 0.002 0.000 0.295 753 V C 0.737 176.988 176.094 0.262 0.000 1.053 753 V CA -1.127 61.257 62.300 0.140 0.000 0.987 753 V CB 1.457 33.284 31.823 0.006 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.659 122.198 120.400 0.232 0.000 2.349 754 D HA 0.055 4.696 4.640 0.002 0.000 0.266 754 D C 0.475 176.990 176.300 0.358 0.000 1.293 754 D CA 0.227 54.390 54.000 0.270 0.000 0.926 754 D CB 0.468 41.378 40.800 0.184 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.077 120.272 119.070 0.209 0.000 2.562 755 H HA 0.011 4.568 4.556 0.002 0.000 0.274 755 H C 1.478 176.555 175.328 -0.418 0.000 1.038 755 H CA 0.416 56.507 56.048 0.072 0.000 1.161 755 H CB 0.337 30.202 29.762 0.172 0.000 1.318 755 H HN 0.259 nan 8.280 nan 0.000 0.617 756 T N -0.226 114.271 114.554 -0.095 0.000 2.914 756 T HA -0.093 4.258 4.350 0.002 0.000 0.240 756 T C 1.791 176.458 174.700 -0.055 0.000 1.025 756 T CA 0.245 62.305 62.100 -0.066 0.000 1.198 756 T CB 0.032 68.941 68.868 0.068 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.212 121.078 119.800 0.111 0.000 2.480 757 Q HA -0.146 4.195 4.340 0.002 0.000 0.217 757 Q C 0.263 176.447 176.000 0.307 0.000 0.993 757 Q CA 1.301 57.252 55.803 0.246 0.000 0.908 757 Q CB -0.874 28.016 28.738 0.252 0.000 0.927 757 Q HN 0.791 nan 8.270 nan 0.000 0.471 758 Y N -2.976 117.277 120.300 -0.078 0.000 2.686 758 Y HA 0.830 5.381 4.550 0.002 0.000 0.330 758 Y C 0.125 175.647 175.900 -0.630 0.000 1.082 758 Y CA -1.334 56.465 58.100 -0.503 0.000 1.158 758 Y CB 0.762 38.638 38.460 -0.973 0.000 1.333 758 Y HN -0.105 nan 8.280 nan 0.000 0.519 759 R N 0.393 120.447 120.500 -0.743 0.000 2.633 759 R HA 0.624 4.965 4.340 0.002 0.000 0.255 759 R C -2.348 173.663 176.300 -0.482 0.000 1.106 759 R CA -1.006 54.743 56.100 -0.586 0.000 0.959 759 R CB -0.057 29.855 30.300 -0.646 0.000 1.259 759 R HN 0.647 nan 8.270 nan 0.000 0.453 760 F N 0.679 120.537 119.950 -0.154 0.000 2.450 760 F HA 0.956 5.484 4.527 0.002 0.000 0.328 760 F C 1.340 177.138 175.800 -0.003 0.000 1.068 760 F CA -0.634 57.350 58.000 -0.026 0.000 1.007 760 F CB 2.622 41.678 39.000 0.093 0.000 1.251 760 F HN 0.960 nan 8.300 nan 0.000 0.492 761 G N -1.577 107.424 108.800 0.335 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 -0.346 174.760 174.900 0.342 0.000 1.456 761 G CA -0.688 44.533 45.100 0.202 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.652 118.536 119.070 0.196 0.000 2.456 762 H HA -0.206 4.351 4.556 0.002 0.000 0.288 762 H C 1.815 177.292 175.328 0.248 0.000 1.130 762 H CA 2.028 58.187 56.048 0.185 0.000 1.173 762 H CB -0.038 29.787 29.762 0.105 0.000 1.350 762 H HN 0.373 nan 8.280 nan 0.000 0.498 763 T N -0.693 114.046 114.554 0.309 0.000 2.986 763 T HA 0.157 4.508 4.350 0.002 0.000 0.264 763 T C 0.263 175.016 174.700 0.090 0.000 0.964 763 T CA -0.105 62.149 62.100 0.256 0.000 0.895 763 T CB 0.801 69.764 68.868 0.158 0.000 1.163 763 T HN 0.438 nan 8.240 nan 0.000 0.517 764 K N -0.053 120.298 120.400 -0.082 0.000 2.672 764 K HA 0.615 4.936 4.320 0.002 0.000 0.295 764 K C -1.852 174.425 176.600 -0.537 0.000 1.042 764 K CA -0.897 55.032 56.287 -0.598 0.000 0.869 764 K CB 1.051 33.299 32.500 -0.420 0.000 1.541 764 K HN -0.147 nan 8.250 nan 0.000 0.396 765 V N 1.047 120.488 119.914 -0.788 0.000 2.716 765 V HA 0.506 4.627 4.120 0.002 0.000 0.304 765 V C -0.884 174.825 176.094 -0.642 0.000 1.053 765 V CA -0.518 61.358 62.300 -0.706 0.000 0.984 765 V CB 0.751 31.886 31.823 -1.147 0.000 1.021 765 V HN 0.542 nan 8.190 nan 0.000 0.467 766 F N 2.863 122.346 119.950 -0.778 0.000 2.480 766 F HA 0.739 5.267 4.527 0.002 0.000 0.329 766 F C -0.389 175.015 175.800 -0.659 0.000 1.091 766 F CA -0.724 56.912 58.000 -0.607 0.000 0.972 766 F CB 1.617 40.190 39.000 -0.712 0.000 1.150 766 F HN 0.225 nan 8.300 nan 0.000 0.467 767 F N 1.973 121.912 119.950 -0.019 0.000 2.578 767 F HA 0.445 4.973 4.527 0.002 0.000 0.311 767 F C 0.208 176.073 175.800 0.109 0.000 1.094 767 F CA -1.232 56.796 58.000 0.048 0.000 0.923 767 F CB 1.847 40.784 39.000 -0.105 0.000 1.230 767 F HN 0.262 nan 8.300 nan 0.000 0.450 768 K N 0.934 121.501 120.400 0.278 0.000 2.525 768 K HA 0.699 5.020 4.320 0.002 0.000 0.262 768 K C 0.036 176.628 176.600 -0.014 0.000 1.049 768 K CA -0.461 55.816 56.287 -0.017 0.000 0.961 768 K CB 0.439 32.894 32.500 -0.076 0.000 1.258 768 K HN 0.690 nan 8.250 nan 0.000 0.501 769 A N -0.594 122.169 122.820 -0.096 0.000 2.296 769 A HA 0.430 4.751 4.320 0.002 0.000 0.264 769 A C 0.944 178.477 177.584 -0.085 0.000 1.097 769 A CA 0.416 52.384 52.037 -0.115 0.000 0.811 769 A CB -0.515 18.372 19.000 -0.189 0.000 1.072 769 A HN 0.781 nan 8.150 nan 0.000 0.495 770 G N -1.026 107.716 108.800 -0.097 0.000 2.280 770 G HA2 -0.270 3.691 3.960 0.002 0.000 0.282 770 G HA3 -0.270 3.691 3.960 0.002 0.000 0.282 770 G C 0.612 175.485 174.900 -0.044 0.000 1.000 770 G CA 1.178 46.244 45.100 -0.058 0.000 0.751 770 G HN 1.067 nan 8.290 nan 0.000 0.515 771 L N -1.196 119.987 121.223 -0.067 0.000 2.185 771 L HA 0.430 4.771 4.340 0.002 0.000 0.198 771 L C 2.601 179.355 176.870 -0.193 0.000 1.079 771 L CA 1.214 56.004 54.840 -0.083 0.000 0.780 771 L CB -0.402 41.646 42.059 -0.018 0.000 0.955 771 L HN 0.148 nan 8.230 nan 0.000 0.462 772 L N 0.359 121.396 121.223 -0.309 0.000 2.129 772 L HA -0.151 4.190 4.340 0.002 0.000 0.212 772 L C 2.384 179.176 176.870 -0.130 0.000 1.087 772 L CA 2.009 56.637 54.840 -0.352 0.000 0.757 772 L CB -1.561 40.303 42.059 -0.325 0.000 0.896 772 L HN 0.422 nan 8.230 nan 0.000 0.434 773 G N -1.347 107.405 108.800 -0.080 0.000 2.418 773 G HA2 -0.257 3.704 3.960 0.002 0.000 0.217 773 G HA3 -0.257 3.704 3.960 0.002 0.000 0.217 773 G C 1.682 176.575 174.900 -0.011 0.000 1.158 773 G CA 0.768 45.857 45.100 -0.018 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.269 120.934 121.223 -0.033 0.000 2.027 774 L HA 0.044 4.385 4.340 0.002 0.000 0.206 774 L C 2.723 179.585 176.870 -0.012 0.000 1.074 774 L CA 0.885 55.715 54.840 -0.016 0.000 0.745 774 L CB -0.420 41.627 42.059 -0.020 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.542 120.648 121.223 -0.055 0.000 1.951 775 L HA -0.295 4.046 4.340 0.002 0.000 0.222 775 L C 2.602 179.567 176.870 0.158 0.000 1.078 775 L CA 1.767 56.605 54.840 -0.004 0.000 0.778 775 L CB -1.300 40.603 42.059 -0.261 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.373 119.941 120.200 0.189 0.000 2.136 776 E HA -0.325 4.026 4.350 0.002 0.000 0.208 776 E C 2.106 178.720 176.600 0.023 0.000 1.035 776 E CA 1.748 58.195 56.400 0.079 0.000 0.838 776 E CB -0.319 29.402 29.700 0.035 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.166 120.381 120.200 0.025 0.000 2.049 777 E HA -0.222 4.129 4.350 0.002 0.000 0.198 777 E C 2.229 178.836 176.600 0.011 0.000 1.007 777 E CA 1.602 58.010 56.400 0.013 0.000 0.809 777 E CB -0.165 29.545 29.700 0.016 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.249 119.862 119.600 0.023 0.000 2.108 778 M HA -0.190 4.291 4.480 0.002 0.000 0.261 778 M C 2.714 179.021 176.300 0.011 0.000 1.066 778 M CA 1.770 57.083 55.300 0.022 0.000 1.107 778 M CB -0.384 32.236 32.600 0.035 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.645 121.152 120.500 0.012 0.000 2.083 779 R HA -0.193 4.148 4.340 0.002 0.000 0.237 779 R C 1.549 177.821 176.300 -0.046 0.000 1.137 779 R CA 2.132 58.212 56.100 -0.034 0.000 0.951 779 R CB -0.362 29.878 30.300 -0.099 0.000 0.851 779 R HN 0.281 nan 8.270 nan 0.000 0.434 780 D N 0.863 121.240 120.400 -0.037 0.000 2.126 780 D HA -0.183 4.458 4.640 0.002 0.000 0.190 780 D C 1.544 177.829 176.300 -0.026 0.000 1.001 780 D CA 1.677 55.656 54.000 -0.035 0.000 0.841 780 D CB -0.506 40.280 40.800 -0.024 0.000 0.949 780 D HN 0.290 nan 8.370 nan 0.000 0.446 781 D N 0.318 120.709 120.400 -0.015 0.000 2.149 781 D HA -0.127 4.514 4.640 0.002 0.000 0.198 781 D C 1.751 178.041 176.300 -0.016 0.000 0.990 781 D CA 0.793 54.786 54.000 -0.011 0.000 0.839 781 D CB -0.178 40.620 40.800 -0.003 0.000 0.948 781 D HN 0.293 nan 8.370 nan 0.000 0.460 782 K N -0.227 120.162 120.400 -0.020 0.000 2.504 782 K HA -0.027 4.294 4.320 0.002 0.000 0.195 782 K C 1.304 177.885 176.600 -0.031 0.000 1.036 782 K CA 0.254 56.528 56.287 -0.022 0.000 0.984 782 K CB 0.242 32.731 32.500 -0.018 0.000 0.788 782 K HN 0.099 nan 8.250 nan 0.000 0.488 783 L N -0.543 120.658 121.223 -0.036 0.000 2.408 783 L HA 0.134 4.475 4.340 0.002 0.000 0.215 783 L C 2.138 178.990 176.870 -0.031 0.000 1.081 783 L CA 0.739 55.555 54.840 -0.040 0.000 0.840 783 L CB -0.462 41.566 42.059 -0.052 0.000 1.002 783 L HN -0.006 nan 8.230 nan 0.000 0.468 784 A N -0.219 122.586 122.820 -0.025 0.000 1.883 784 A HA -0.248 4.073 4.320 0.002 0.000 0.217 784 A C 2.223 179.796 177.584 -0.018 0.000 1.186 784 A CA 1.868 53.893 52.037 -0.020 0.000 0.624 784 A CB -0.475 18.516 19.000 -0.016 0.000 0.822 784 A HN 0.335 nan 8.150 nan 0.000 0.444 785 E N 0.018 120.208 120.200 -0.017 0.000 2.007 785 E HA -0.192 4.159 4.350 0.002 0.000 0.203 785 E C 1.838 178.427 176.600 -0.019 0.000 1.020 785 E CA 1.619 58.010 56.400 -0.015 0.000 0.845 785 E CB -0.456 29.236 29.700 -0.014 0.000 0.779 785 E HN 0.581 nan 8.360 nan 0.000 0.466 786 I N 0.282 120.838 120.570 -0.023 0.000 2.185 786 I HA -0.326 3.845 4.170 0.002 0.000 0.246 786 I C 2.363 178.463 176.117 -0.027 0.000 1.088 786 I CA 1.194 62.477 61.300 -0.027 0.000 1.347 786 I CB -0.279 37.701 38.000 -0.034 0.000 1.041 786 I HN 0.206 nan 8.210 nan 0.000 0.415 787 I N -0.093 120.461 120.570 -0.027 0.000 2.188 787 I HA -0.250 3.921 4.170 0.002 0.000 0.237 787 I C 2.521 178.626 176.117 -0.020 0.000 1.073 787 I CA 1.460 62.745 61.300 -0.026 0.000 1.359 787 I CB -0.454 37.530 38.000 -0.026 0.000 1.083 787 I HN 0.180 nan 8.210 nan 0.000 0.412 788 T N 0.941 115.485 114.554 -0.017 0.000 2.684 788 T HA -0.342 4.009 4.350 0.002 0.000 0.267 788 T C 2.224 176.917 174.700 -0.010 0.000 1.032 788 T CA 2.460 64.553 62.100 -0.012 0.000 1.155 788 T CB -0.691 68.171 68.868 -0.010 0.000 0.857 788 T HN 0.521 nan 8.240 nan 0.000 0.457 789 R N 0.813 121.306 120.500 -0.013 0.000 2.090 789 R HA 0.012 4.353 4.340 0.002 0.000 0.228 789 R C 2.548 178.839 176.300 -0.015 0.000 1.110 789 R CA 1.953 58.046 56.100 -0.012 0.000 0.973 789 R CB -1.651 28.641 30.300 -0.014 0.000 0.869 789 R HN 0.487 nan 8.270 nan 0.000 0.440 790 T N 0.617 115.159 114.554 -0.020 0.000 3.055 790 T HA -0.062 4.289 4.350 0.002 0.000 0.265 790 T C 1.896 176.583 174.700 -0.022 0.000 1.111 790 T CA 1.039 63.122 62.100 -0.027 0.000 1.118 790 T CB -0.005 68.842 68.868 -0.035 0.000 0.909 790 T HN 0.602 nan 8.240 nan 0.000 0.501 791 Q N 0.939 120.730 119.800 -0.014 0.000 1.969 791 Q HA 0.006 4.347 4.340 0.002 0.000 0.198 791 Q C 2.837 178.841 176.000 0.006 0.000 0.978 791 Q CA 1.256 57.055 55.803 -0.005 0.000 0.830 791 Q CB -0.438 28.298 28.738 -0.004 0.000 0.896 791 Q HN 0.496 nan 8.270 nan 0.000 0.431 792 A N 1.935 124.758 122.820 0.006 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 0.030 0.000 1.464 792 A CA 2.691 54.737 52.037 0.014 0.000 0.717 792 A CB -0.974 18.030 19.000 0.007 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 0.022 0.000 2.112 793 R HA -0.195 4.146 4.340 0.002 0.000 0.242 793 R C 2.077 178.427 176.300 0.083 0.000 1.137 793 R CA 2.567 58.690 56.100 0.037 0.000 0.944 793 R CB -1.756 28.543 30.300 -0.001 0.000 0.857 793 R HN 0.654 nan 8.270 nan 0.000 0.435 794 C N 0.345 119.670 119.300 0.042 0.000 2.359 794 C HA -0.128 4.333 4.460 0.002 0.000 0.277 794 C C 2.625 177.719 174.990 0.173 0.000 1.192 794 C CA 1.360 60.424 59.018 0.078 0.000 1.759 794 C CB -1.112 26.640 27.740 0.020 0.000 2.038 794 C HN 0.546 nan 8.230 nan 0.000 0.448 795 R N 0.602 121.159 120.500 0.096 0.000 2.115 795 R HA -0.152 4.189 4.340 0.002 0.000 0.239 795 R C 2.421 178.773 176.300 0.086 0.000 1.133 795 R CA 2.108 58.254 56.100 0.076 0.000 0.935 795 R CB -1.309 29.016 30.300 0.042 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.129 109.980 108.800 0.085 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 1.255 176.214 174.900 0.098 0.000 1.267 796 G CA 1.024 46.166 45.100 0.071 0.000 0.799 796 G HN 0.390 nan 8.290 nan 0.000 0.606 797 F N 0.711 120.655 119.950 -0.011 0.000 2.176 797 F HA -0.168 4.360 4.527 0.002 0.000 0.301 797 F C 2.308 178.107 175.800 -0.002 0.000 1.071 797 F CA 1.531 59.526 58.000 -0.008 0.000 1.289 797 F CB -0.220 38.776 39.000 -0.007 0.000 1.028 797 F HN 0.089 nan 8.300 nan 0.000 0.494 798 L N -0.067 121.235 121.223 0.131 0.000 2.046 798 L HA -0.222 4.119 4.340 0.002 0.000 0.208 798 L C 2.472 179.262 176.870 -0.132 0.000 1.077 798 L CA 1.858 56.694 54.840 -0.007 0.000 0.747 798 L CB -0.771 41.353 42.059 0.109 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.884 117.673 119.600 -0.072 0.000 2.349 799 M HA -0.148 4.333 4.480 0.002 0.000 0.266 799 M C 2.242 178.487 176.300 -0.093 0.000 1.076 799 M CA 0.896 56.160 55.300 -0.061 0.000 1.126 799 M CB -0.171 32.417 32.600 -0.020 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.357 120.047 120.500 -0.160 0.000 2.200 800 R HA -0.108 4.233 4.340 0.002 0.000 0.234 800 R C 1.677 177.863 176.300 -0.190 0.000 1.127 800 R CA 0.934 56.931 56.100 -0.171 0.000 0.989 800 R CB -0.015 30.175 30.300 -0.183 0.000 0.869 800 R HN 0.244 nan 8.270 nan 0.000 0.459 801 V N -0.250 119.490 119.914 -0.291 0.000 3.174 801 V HA -0.044 4.077 4.120 0.002 0.000 0.254 801 V C 1.852 177.882 176.094 -0.107 0.000 1.120 801 V CA 0.873 63.029 62.300 -0.240 0.000 1.114 801 V CB 0.106 31.726 31.823 -0.338 0.000 0.756 801 V HN 0.127 nan 8.190 nan 0.000 0.467 802 E N -0.094 120.060 120.200 -0.078 0.000 2.072 802 E HA -0.170 4.181 4.350 0.002 0.000 0.190 802 E C 1.963 178.571 176.600 0.014 0.000 0.982 802 E CA 1.158 57.538 56.400 -0.033 0.000 0.803 802 E CB -0.307 29.378 29.700 -0.025 0.000 0.755 802 E HN 0.689 nan 8.360 nan 0.000 0.453 803 Y N 1.271 121.518 120.300 -0.089 0.000 2.165 803 Y HA -0.204 4.347 4.550 0.002 0.000 0.286 803 Y C 2.444 178.304 175.900 -0.068 0.000 1.155 803 Y CA 2.020 60.078 58.100 -0.071 0.000 1.164 803 Y CB -0.037 38.386 38.460 -0.062 0.000 0.978 803 Y HN -0.078 nan 8.280 nan 0.000 0.513 804 R N -0.292 120.268 120.500 0.099 0.000 2.200 804 R HA -0.177 4.164 4.340 0.002 0.000 0.234 804 R C 2.514 178.789 176.300 -0.041 0.000 1.127 804 R CA 1.527 57.643 56.100 0.026 0.000 0.989 804 R CB -0.113 30.190 30.300 0.006 0.000 0.869 804 R HN 0.406 nan 8.270 nan 0.000 0.459 805 R N -0.095 120.369 120.500 -0.060 0.000 2.074 805 R HA 0.100 4.441 4.340 0.002 0.000 0.218 805 R C 2.068 178.300 176.300 -0.112 0.000 1.137 805 R CA 1.156 57.212 56.100 -0.074 0.000 0.998 805 R CB -1.017 29.245 30.300 -0.062 0.000 0.895 805 R HN 0.187 nan 8.270 nan 0.000 0.442 806 M N 0.574 120.088 119.600 -0.143 0.000 2.088 806 M HA -0.207 4.274 4.480 0.002 0.000 0.256 806 M C 2.402 178.560 176.300 -0.237 0.000 1.071 806 M CA 2.110 57.293 55.300 -0.196 0.000 1.097 806 M CB -0.682 31.766 32.600 -0.253 0.000 1.315 806 M HN 0.189 nan 8.290 nan 0.000 0.406 807 V N 0.221 119.957 119.914 -0.296 0.000 2.287 807 V HA -0.281 3.840 4.120 0.002 0.000 0.248 807 V C 2.145 178.148 176.094 -0.151 0.000 1.053 807 V CA 2.103 64.243 62.300 -0.267 0.000 1.027 807 V CB -0.695 30.940 31.823 -0.314 0.000 0.646 807 V HN 0.472 nan 8.190 nan 0.000 0.447 808 E N -0.290 119.843 120.200 -0.112 0.000 2.033 808 E HA -0.280 4.071 4.350 0.002 0.000 0.199 808 E C 2.460 179.009 176.600 -0.084 0.000 1.011 808 E CA 1.692 58.048 56.400 -0.074 0.000 0.815 808 E CB -0.233 29.433 29.700 -0.057 0.000 0.755 808 E HN 0.458 nan 8.360 nan 0.000 0.451 809 R N 0.408 120.843 120.500 -0.107 0.000 2.154 809 R HA -0.191 4.150 4.340 0.002 0.000 0.248 809 R C 2.368 178.566 176.300 -0.171 0.000 1.155 809 R CA 0.982 57.007 56.100 -0.125 0.000 0.979 809 R CB -0.277 29.938 30.300 -0.143 0.000 0.869 809 R HN 0.128 nan 8.270 nan 0.000 0.452 810 R N 1.162 121.546 120.500 -0.194 0.000 2.227 810 R HA -0.283 4.058 4.340 0.002 0.000 0.246 810 R C 2.099 178.202 176.300 -0.330 0.000 1.119 810 R CA 2.598 58.540 56.100 -0.264 0.000 0.930 810 R CB -0.350 29.857 30.300 -0.155 0.000 0.912 810 R HN 0.579 nan 8.270 nan 0.000 0.435 811 E N -1.281 118.863 120.200 -0.094 0.000 2.086 811 E HA -0.017 4.334 4.350 0.002 0.000 0.190 811 E C 1.891 178.505 176.600 0.023 0.000 0.975 811 E CA 0.901 57.344 56.400 0.071 0.000 0.813 811 E CB -0.334 29.466 29.700 0.165 0.000 0.768 811 E HN 0.090 nan 8.360 nan 0.000 0.457 812 S N 1.029 116.712 115.700 -0.028 0.000 2.440 812 S HA -0.125 4.346 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 1.089 59.275 58.200 -0.023 0.000 0.980 812 S CB -0.330 62.851 63.200 -0.032 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.003 120.484 120.570 -0.138 0.000 2.110 813 I HA -0.148 4.023 4.170 0.002 0.000 0.236 813 I C 1.904 177.949 176.117 -0.120 0.000 1.068 813 I CA 1.118 62.310 61.300 -0.180 0.000 1.333 813 I CB -0.578 37.229 38.000 -0.321 0.000 1.054 813 I HN 0.205 nan 8.210 nan 0.000 0.402 814 F N 1.145 121.000 119.950 -0.159 0.000 2.063 814 F HA -0.387 4.141 4.527 0.002 0.000 0.297 814 F C 2.969 178.665 175.800 -0.173 0.000 1.099 814 F CA 1.704 59.539 58.000 -0.275 0.000 1.220 814 F CB -1.493 37.418 39.000 -0.150 0.000 0.972 814 F HN 0.301 nan 8.300 nan 0.000 0.487 815 C N 0.882 120.297 119.300 0.192 0.000 2.393 815 C HA -0.220 4.242 4.460 0.002 0.000 0.276 815 C C 2.907 177.954 174.990 0.095 0.000 1.215 815 C CA 1.292 60.399 59.018 0.149 0.000 1.743 815 C CB -1.332 26.470 27.740 0.102 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.078 120.672 120.570 0.039 0.000 2.202 816 I HA -0.204 3.967 4.170 0.002 0.000 0.242 816 I C 2.714 178.840 176.117 0.015 0.000 1.091 816 I CA 1.697 63.007 61.300 0.015 0.000 1.368 816 I CB -1.334 36.654 38.000 -0.019 0.000 1.058 816 I HN 0.556 nan 8.210 nan 0.000 0.410 817 Q N 0.404 120.183 119.800 -0.035 0.000 1.935 817 Q HA -0.260 4.081 4.340 0.002 0.000 0.212 817 Q C 2.355 178.360 176.000 0.008 0.000 1.008 817 Q CA 2.398 58.152 55.803 -0.082 0.000 0.868 817 Q CB -0.366 28.241 28.738 -0.219 0.000 0.946 817 Q HN 0.369 nan 8.270 nan 0.000 0.418 818 Y N 0.954 121.316 120.300 0.104 0.000 2.081 818 Y HA -0.289 4.262 4.550 0.002 0.000 0.280 818 Y C 2.154 178.095 175.900 0.068 0.000 1.163 818 Y CA 1.107 59.248 58.100 0.069 0.000 1.135 818 Y CB -0.921 37.566 38.460 0.044 0.000 0.970 818 Y HN 0.273 nan 8.280 nan 0.000 0.498 819 N N 0.106 118.947 118.700 0.234 0.000 2.133 819 N HA -0.196 4.545 4.740 0.002 0.000 0.193 819 N C 1.900 177.503 175.510 0.155 0.000 1.012 819 N CA 1.767 54.914 53.050 0.162 0.000 0.871 819 N CB -0.336 38.221 38.487 0.115 0.000 1.011 819 N HN 0.208 nan 8.380 nan 0.000 0.435 820 V N 1.262 121.259 119.914 0.138 0.000 2.283 820 V HA -0.139 3.982 4.120 0.002 0.000 0.243 820 V C 2.419 178.646 176.094 0.222 0.000 1.039 820 V CA 1.227 63.617 62.300 0.151 0.000 1.016 820 V CB -0.354 31.530 31.823 0.101 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.153 120.453 120.500 0.177 0.000 2.134 821 R HA -0.228 4.113 4.340 0.002 0.000 0.248 821 R C 2.593 178.981 176.300 0.145 0.000 1.143 821 R CA 1.955 58.148 56.100 0.156 0.000 0.957 821 R CB -0.704 29.692 30.300 0.160 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.471 116.266 115.700 0.159 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 0.154 0.000 1.045 822 S CA 1.828 60.106 58.200 0.130 0.000 1.154 822 S CB -0.540 62.758 63.200 0.164 0.000 1.093 822 S HN 0.382 nan 8.310 nan 0.000 0.422 823 F N 2.036 122.037 119.950 0.084 0.000 2.085 823 F HA -0.237 4.291 4.527 0.002 0.000 0.299 823 F C 2.223 178.068 175.800 0.076 0.000 1.096 823 F CA 1.850 59.913 58.000 0.105 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 -0.151 119.439 119.600 -0.017 0.000 2.346 824 M HA -0.213 4.268 4.480 0.002 0.000 0.263 824 M C 1.458 177.674 176.300 -0.141 0.000 1.064 824 M CA 1.514 56.734 55.300 -0.133 0.000 1.083 824 M CB -1.103 31.527 32.600 0.049 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.448 118.203 118.700 -0.083 0.000 2.368 825 N HA -0.010 4.731 4.740 0.002 0.000 0.178 825 N C 1.709 177.189 175.510 -0.050 0.000 1.021 825 N CA 0.648 53.668 53.050 -0.050 0.000 0.875 825 N CB 0.122 38.578 38.487 -0.052 0.000 1.020 825 N HN 0.013 nan 8.380 nan 0.000 0.433 826 V N 2.231 122.106 119.914 -0.065 0.000 2.283 826 V HA -0.215 3.906 4.120 0.002 0.000 0.243 826 V C 2.093 178.228 176.094 0.070 0.000 1.039 826 V CA 1.715 64.031 62.300 0.026 0.000 1.016 826 V CB -0.667 31.201 31.823 0.076 0.000 0.650 826 V HN 0.454 nan 8.190 nan 0.000 0.449 827 K N -0.455 119.847 120.400 -0.163 0.000 2.385 827 K HA -0.297 4.024 4.320 0.002 0.000 0.202 827 K C 1.729 178.298 176.600 -0.051 0.000 1.044 827 K CA 2.323 58.496 56.287 -0.189 0.000 0.933 827 K CB -0.411 31.625 32.500 -0.772 0.000 0.744 827 K HN 0.521 nan 8.250 nan 0.000 0.479 828 H N -1.659 117.430 119.070 0.032 0.000 2.575 828 H HA 0.076 4.633 4.556 0.002 0.000 0.267 828 H C -0.572 174.856 175.328 0.168 0.000 0.966 828 H CA -0.197 55.895 56.048 0.073 0.000 1.165 828 H CB -0.065 29.719 29.762 0.037 0.000 1.433 828 H HN 0.281 nan 8.280 nan 0.000 0.544 829 W N 4.054 125.413 121.300 0.098 0.000 2.388 829 W HA 0.194 4.855 4.660 0.002 0.000 0.308 829 W C -1.610 174.944 176.519 0.058 0.000 1.263 829 W CA -3.026 54.369 57.345 0.083 0.000 1.286 829 W CB 0.734 30.242 29.460 0.079 0.000 1.294 829 W HN 0.017 nan 8.180 nan 0.000 0.493 830 P HA -0.317 nan 4.420 nan 0.000 0.221 830 P C 1.182 178.139 177.300 -0.572 0.000 1.160 830 P CA 2.787 65.636 63.100 -0.418 0.000 0.933 830 P CB -0.223 31.127 31.700 -0.582 0.000 0.793 831 W N -1.478 119.300 121.300 -0.870 0.000 2.342 831 W HA -0.082 4.579 4.660 0.002 0.000 0.297 831 W C 2.753 178.940 176.519 -0.554 0.000 1.213 831 W CA 0.753 57.569 57.345 -0.881 0.000 1.251 831 W CB -1.005 27.446 29.460 -1.683 0.000 1.136 831 W HN -0.051 nan 8.180 nan 0.000 0.526 832 M N 0.518 119.992 119.600 -0.210 0.000 2.288 832 M HA -0.099 4.382 4.480 0.002 0.000 0.266 832 M C 1.957 178.098 176.300 -0.266 0.000 1.072 832 M CA 1.531 56.749 55.300 -0.137 0.000 1.132 832 M CB -0.176 32.445 32.600 0.035 0.000 1.386 832 M HN -0.212 nan 8.290 nan 0.000 0.432 833 K N -0.077 120.292 120.400 -0.052 0.000 2.097 833 K HA -0.161 4.160 4.320 0.002 0.000 0.206 833 K C 1.986 178.633 176.600 0.078 0.000 1.049 833 K CA 1.370 57.720 56.287 0.105 0.000 0.933 833 K CB -0.807 31.743 32.500 0.084 0.000 0.717 833 K HN 0.341 nan 8.250 nan 0.000 0.442 834 L N 0.839 122.037 121.223 -0.041 0.000 1.970 834 L HA -0.214 4.127 4.340 0.002 0.000 0.212 834 L C 2.433 179.361 176.870 0.097 0.000 1.071 834 L CA 1.474 56.298 54.840 -0.027 0.000 0.751 834 L CB -0.460 41.514 42.059 -0.142 0.000 0.889 834 L HN 0.033 nan 8.230 nan 0.000 0.432 835 F N -0.594 119.303 119.950 -0.088 0.000 2.147 835 F HA -0.310 4.218 4.527 0.002 0.000 0.301 835 F C 1.964 177.818 175.800 0.091 0.000 1.084 835 F CA 1.416 59.388 58.000 -0.045 0.000 1.268 835 F CB -0.470 38.420 39.000 -0.183 0.000 1.009 835 F HN 0.069 nan 8.300 nan 0.000 0.486 836 F N 1.097 121.108 119.950 0.101 0.000 2.060 836 F HA -0.153 4.375 4.527 0.002 0.000 0.295 836 F C 2.379 178.139 175.800 -0.065 0.000 1.120 836 F CA 1.550 59.536 58.000 -0.023 0.000 1.205 836 F CB -1.337 37.708 39.000 0.075 0.000 0.986 836 F HN -0.076 nan 8.300 nan 0.000 0.470 837 K N 0.026 120.532 120.400 0.177 0.000 2.097 837 K HA -0.152 4.169 4.320 0.002 0.000 0.206 837 K C 2.226 178.842 176.600 0.026 0.000 1.049 837 K CA 1.517 57.849 56.287 0.074 0.000 0.933 837 K CB -0.614 31.916 32.500 0.050 0.000 0.717 837 K HN 0.302 nan 8.250 nan 0.000 0.442 838 I N 1.502 122.085 120.570 0.020 0.000 2.406 838 I HA -0.200 3.971 4.170 0.002 0.000 0.249 838 I C 2.486 178.560 176.117 -0.071 0.000 1.122 838 I CA 0.738 62.034 61.300 -0.008 0.000 1.431 838 I CB -0.036 37.984 38.000 0.032 0.000 1.087 838 I HN 0.102 nan 8.210 nan 0.000 0.424 839 K N 0.956 121.240 120.400 -0.193 0.000 2.304 839 K HA -0.205 4.116 4.320 0.002 0.000 0.204 839 K C -0.944 175.572 176.600 -0.140 0.000 1.044 839 K CA 1.568 57.670 56.287 -0.308 0.000 0.932 839 K CB -0.509 31.743 32.500 -0.413 0.000 0.735 839 K HN 0.292 nan 8.250 nan 0.000 0.468 840 P HA -0.040 nan 4.420 nan 0.000 0.216 840 P C 0.961 178.243 177.300 -0.032 0.000 1.154 840 P CA 0.619 63.689 63.100 -0.050 0.000 0.857 840 P CB 0.048 31.726 31.700 -0.037 0.000 0.787 841 L N -1.413 119.796 121.223 -0.023 0.000 2.450 841 L HA -0.148 4.193 4.340 0.002 0.000 0.225 841 L C 1.166 178.033 176.870 -0.005 0.000 1.145 841 L CA 1.208 56.042 54.840 -0.010 0.000 0.801 841 L CB -1.507 40.550 42.059 -0.003 0.000 0.924 841 L HN -0.042 nan 8.230 nan 0.000 0.447 842 L N -0.838 120.379 121.223 -0.011 0.000 2.479 842 L HA 0.286 4.627 4.340 0.002 0.000 0.248 842 L C 0.564 177.434 176.870 0.001 0.000 1.205 842 L CA 0.078 54.919 54.840 0.001 0.000 0.817 842 L CB 0.317 42.376 42.059 0.000 0.000 1.162 842 L HN 0.236 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.406 120.400 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 0.010 0.000 0.838 843 K CB 0.000 32.506 32.500 0.009 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543