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 2vl8_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNLVNKAQLQ KMAYVKFRIQ EDEYVAILNA LEEYHNMSES SVVEKYLKLK DATA SEQUENCE DINNLTDNYL NTYKKSGRNK ALKKFKEYLT MEVLELKNNS LTPVEKNLHF DATA SEQUENCE IWIGGQINDT AINYINQWKD VNSDYTVKVF YDSNAFLINT LKKTIVESAT DATA SEQUENCE NNTLESFREN LNDPEFDYNK FYRKRMEIIY DKQKHFIDYY KSQIEENPEF DATA SEQUENCE IIDNIIKTYL SNEYSKDLEA LNKYIEESLN KITANNGNDI RNLEKFADED DATA SEQUENCE LVRLYNQELV ERWNLAAASD ILRISMLKED GGVYLDVDML PGIQPDLFKS DATA SEQUENCE INKPDSITNT SWEMIKLEAI MKYKEYIPGY TSKNFDMLDE EVQRSFESAL DATA SEQUENCE SSKSDKSEIF LPLDDIKVSP LEVKIAFANN SVINQALISL KDSYCSDLVI DATA SEQUENCE NQIKNRYKIL NDNLNPSINE GTDFNTTMKI FSDKLASISN EDNMMFMIKI DATA SEQUENCE TNYLKVGFAP DVRSTINLSG PGVYTGAYQD LLMFKDNSTN IHLLEPELRN DATA SEQUENCE FEFPKTKISQ LTEQEITSLW XXXXARAKSQ FEEYKKGYFE G 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.004 0.000 1.302 2 N N 1.262 119.975 118.700 0.022 0.000 2.379 2 N HA 0.484 5.224 4.740 0.001 0.000 0.260 2 N C -0.171 175.387 175.510 0.080 0.000 1.254 2 N CA -0.594 52.503 53.050 0.077 0.000 0.958 2 N CB 0.542 39.103 38.487 0.123 0.000 1.208 2 N HN 0.094 nan 8.380 nan 0.000 0.532 3 L N 0.384 121.716 121.223 0.183 0.000 2.426 3 L HA 0.246 4.586 4.340 0.001 0.000 0.271 3 L C 0.097 177.124 176.870 0.261 0.000 1.169 3 L CA -0.402 54.550 54.840 0.185 0.000 0.836 3 L CB 0.609 42.773 42.059 0.176 0.000 1.112 3 L HN 0.446 nan 8.230 nan 0.000 0.465 4 V N 6.024 126.041 119.914 0.173 0.000 2.726 4 V HA -0.132 3.989 4.120 0.001 0.000 0.304 4 V C 0.567 176.809 176.094 0.247 0.000 1.115 4 V CA 0.855 63.261 62.300 0.178 0.000 1.264 4 V CB -0.272 31.711 31.823 0.266 0.000 0.867 4 V HN 1.167 nan 8.190 nan 0.000 0.498 5 N N 4.541 123.235 118.700 -0.009 0.000 2.405 5 N HA 0.251 4.991 4.740 0.001 0.000 0.269 5 N C 0.994 176.495 175.510 -0.015 0.000 1.249 5 N CA -0.190 52.767 53.050 -0.155 0.000 0.974 5 N CB 0.391 38.654 38.487 -0.374 0.000 1.204 5 N HN 0.603 nan 8.380 nan 0.000 0.565 6 K N -0.593 119.796 120.400 -0.017 0.000 2.032 6 K HA -0.231 4.089 4.320 0.001 0.000 0.209 6 K C 1.816 178.375 176.600 -0.067 0.000 1.048 6 K CA 1.628 57.889 56.287 -0.044 0.000 0.927 6 K CB -0.669 31.807 32.500 -0.040 0.000 0.712 6 K HN 0.654 nan 8.250 nan 0.000 0.441 7 A N 1.080 123.864 122.820 -0.061 0.000 1.908 7 A HA -0.232 4.089 4.320 0.001 0.000 0.218 7 A C 2.058 179.615 177.584 -0.044 0.000 1.181 7 A CA 1.732 53.736 52.037 -0.055 0.000 0.627 7 A CB -0.566 18.400 19.000 -0.057 0.000 0.818 7 A HN 0.537 nan 8.150 nan 0.000 0.445 8 Q N -1.388 118.391 119.800 -0.036 0.000 2.079 8 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 8 Q C 2.060 178.064 176.000 0.007 0.000 0.974 8 Q CA 1.359 57.156 55.803 -0.009 0.000 0.840 8 Q CB -0.241 28.500 28.738 0.005 0.000 0.898 8 Q HN 0.581 nan 8.270 nan 0.000 0.430 9 L N 0.805 122.012 121.223 -0.027 0.000 2.156 9 L HA -0.156 4.184 4.340 0.001 0.000 0.208 9 L C 2.021 178.872 176.870 -0.032 0.000 1.095 9 L CA 1.621 56.409 54.840 -0.087 0.000 0.770 9 L CB -0.255 41.614 42.059 -0.317 0.000 0.914 9 L HN 0.159 nan 8.230 nan 0.000 0.439 10 Q N -0.629 119.161 119.800 -0.017 0.000 2.096 10 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 10 Q C 1.971 178.027 176.000 0.093 0.000 0.982 10 Q CA 1.581 57.423 55.803 0.065 0.000 0.850 10 Q CB -0.081 28.666 28.738 0.016 0.000 0.901 10 Q HN 0.379 nan 8.270 nan 0.000 0.422 11 K N 0.383 120.795 120.400 0.020 0.000 2.062 11 K HA -0.044 4.277 4.320 0.001 0.000 0.205 11 K C 1.966 178.592 176.600 0.044 0.000 1.051 11 K CA 1.034 57.316 56.287 -0.008 0.000 0.941 11 K CB -0.333 32.137 32.500 -0.050 0.000 0.719 11 K HN 0.272 nan 8.250 nan 0.000 0.440 12 M N 0.367 119.995 119.600 0.047 0.000 2.073 12 M HA -0.183 4.297 4.480 0.001 0.000 0.258 12 M C 1.727 178.049 176.300 0.036 0.000 1.070 12 M CA 2.157 57.489 55.300 0.053 0.000 1.103 12 M CB -0.287 32.354 32.600 0.067 0.000 1.321 12 M HN 0.089 nan 8.290 nan 0.000 0.405 13 A N -1.556 121.279 122.820 0.025 0.000 2.415 13 A HA 0.084 4.404 4.320 0.001 0.000 0.248 13 A C -0.130 177.403 177.584 -0.085 0.000 1.299 13 A CA -0.445 51.550 52.037 -0.070 0.000 0.899 13 A CB -0.617 18.299 19.000 -0.140 0.000 0.997 13 A HN 0.447 nan 8.150 nan 0.000 0.506 14 Y N 0.598 120.835 120.300 -0.104 0.000 2.465 14 Y HA 0.358 4.909 4.550 0.001 0.000 0.331 14 Y C -0.408 175.414 175.900 -0.131 0.000 1.102 14 Y CA 0.217 58.254 58.100 -0.105 0.000 1.358 14 Y CB 0.665 39.080 38.460 -0.074 0.000 1.213 14 Y HN -0.005 nan 8.280 nan 0.000 0.525 15 V N 7.645 127.133 119.914 -0.710 0.000 2.409 15 V HA 0.196 4.316 4.120 0.001 0.000 0.290 15 V C -0.246 175.267 176.094 -0.969 0.000 1.017 15 V CA -1.597 60.316 62.300 -0.645 0.000 0.841 15 V CB 1.240 32.847 31.823 -0.360 0.000 1.003 15 V HN 0.679 nan 8.190 nan 0.000 0.426 16 K N 3.671 123.490 120.400 -0.968 0.000 2.504 16 K HA 0.036 4.357 4.320 0.001 0.000 0.278 16 K C 0.266 176.468 176.600 -0.664 0.000 1.025 16 K CA 0.628 56.374 56.287 -0.903 0.000 1.093 16 K CB -0.073 31.982 32.500 -0.740 0.000 0.873 16 K HN 0.566 nan 8.250 nan 0.000 0.483 17 F N -0.867 118.981 119.950 -0.170 0.000 2.590 17 F HA -0.305 4.222 4.527 0.001 0.000 0.471 17 F C 0.686 176.420 175.800 -0.110 0.000 0.551 17 F CA 0.964 58.907 58.000 -0.095 0.000 1.228 17 F CB -1.572 37.393 39.000 -0.059 0.000 1.862 17 F HN 0.651 nan 8.300 nan 0.000 0.271 18 R N 2.101 122.561 120.500 -0.067 0.000 2.489 18 R HA 0.420 4.760 4.340 0.001 0.000 0.287 18 R C 0.338 176.603 176.300 -0.058 0.000 1.053 18 R CA -0.255 55.795 56.100 -0.082 0.000 1.036 18 R CB 0.275 30.469 30.300 -0.176 0.000 0.966 18 R HN 0.257 nan 8.270 nan 0.000 0.432 19 I N 4.209 124.763 120.570 -0.026 0.000 2.752 19 I HA -0.148 4.022 4.170 0.001 0.000 0.289 19 I C 0.750 176.866 176.117 -0.002 0.000 1.197 19 I CA 0.895 62.194 61.300 -0.001 0.000 1.432 19 I CB 0.535 38.538 38.000 0.005 0.000 1.359 19 I HN 0.478 nan 8.210 nan 0.000 0.571 20 Q N 5.973 125.809 119.800 0.060 0.000 2.324 20 Q HA 0.097 4.437 4.340 0.001 0.000 0.257 20 Q C -0.574 175.510 176.000 0.140 0.000 1.080 20 Q CA -0.281 55.616 55.803 0.157 0.000 0.907 20 Q CB 0.488 29.321 28.738 0.158 0.000 1.274 20 Q HN 0.467 nan 8.270 nan 0.000 0.434 21 E N 1.597 121.893 120.200 0.161 0.000 2.366 21 E HA -0.025 4.325 4.350 0.001 0.000 0.266 21 E C 0.183 176.909 176.600 0.210 0.000 1.051 21 E CA -0.336 56.151 56.400 0.145 0.000 0.884 21 E CB 0.652 30.367 29.700 0.026 0.000 1.006 21 E HN 0.377 nan 8.360 nan 0.000 0.417 22 D N 1.930 122.436 120.400 0.176 0.000 2.149 22 D HA -0.196 4.444 4.640 0.001 0.000 0.194 22 D C 1.189 177.596 176.300 0.178 0.000 1.001 22 D CA 1.387 55.473 54.000 0.143 0.000 0.849 22 D CB 0.051 40.920 40.800 0.115 0.000 0.939 22 D HN 0.473 nan 8.370 nan 0.000 0.449 23 E N -0.929 119.439 120.200 0.279 0.000 2.204 23 E HA -0.168 4.183 4.350 0.001 0.000 0.195 23 E C 1.695 178.534 176.600 0.400 0.000 0.990 23 E CA 0.513 57.120 56.400 0.344 0.000 0.821 23 E CB -0.194 29.783 29.700 0.461 0.000 0.750 23 E HN 0.423 nan 8.360 nan 0.000 0.477 24 Y N -0.212 120.222 120.300 0.222 0.000 2.347 24 Y HA -0.015 4.535 4.550 0.001 0.000 0.294 24 Y C 1.824 177.700 175.900 -0.040 0.000 1.117 24 Y CA 0.534 58.627 58.100 -0.012 0.000 1.184 24 Y CB -0.121 38.264 38.460 -0.126 0.000 1.047 24 Y HN -0.140 nan 8.280 nan 0.000 0.546 25 V N 0.775 120.629 119.914 -0.100 0.000 2.427 25 V HA -0.258 3.863 4.120 0.001 0.000 0.248 25 V C 2.712 178.739 176.094 -0.112 0.000 1.051 25 V CA 1.542 63.735 62.300 -0.178 0.000 1.048 25 V CB -1.600 30.186 31.823 -0.061 0.000 0.666 25 V HN 0.508 nan 8.190 nan 0.000 0.456 26 A N 0.890 123.698 122.820 -0.020 0.000 1.873 26 A HA -0.220 4.101 4.320 0.001 0.000 0.218 26 A C 2.120 179.692 177.584 -0.021 0.000 1.193 26 A CA 2.231 54.270 52.037 0.004 0.000 0.629 26 A CB -0.576 18.459 19.000 0.057 0.000 0.826 26 A HN 0.403 nan 8.150 nan 0.000 0.447 27 I N 0.106 120.658 120.570 -0.030 0.000 2.091 27 I HA -0.281 3.890 4.170 0.001 0.000 0.239 27 I C 2.584 178.629 176.117 -0.120 0.000 1.061 27 I CA 1.481 62.749 61.300 -0.053 0.000 1.317 27 I CB -1.860 36.086 38.000 -0.089 0.000 1.031 27 I HN 0.308 nan 8.210 nan 0.000 0.401 28 L N 0.466 121.536 121.223 -0.255 0.000 2.012 28 L HA -0.244 4.096 4.340 0.001 0.000 0.210 28 L C 2.413 179.215 176.870 -0.114 0.000 1.073 28 L CA 1.458 56.148 54.840 -0.251 0.000 0.748 28 L CB -0.859 40.964 42.059 -0.394 0.000 0.891 28 L HN 0.297 nan 8.230 nan 0.000 0.431 29 N N 0.294 118.938 118.700 -0.093 0.000 2.104 29 N HA -0.164 4.577 4.740 0.001 0.000 0.190 29 N C 1.860 177.371 175.510 0.002 0.000 1.024 29 N CA 1.626 54.653 53.050 -0.037 0.000 0.853 29 N CB -0.343 38.125 38.487 -0.032 0.000 1.008 29 N HN 0.353 nan 8.380 nan 0.000 0.424 30 A N 0.747 123.570 122.820 0.005 0.000 1.898 30 A HA -0.058 4.262 4.320 0.001 0.000 0.216 30 A C 2.209 179.841 177.584 0.080 0.000 1.181 30 A CA 0.882 52.939 52.037 0.033 0.000 0.620 30 A CB -0.716 18.294 19.000 0.018 0.000 0.819 30 A HN 0.236 nan 8.150 nan 0.000 0.442 31 L N 0.228 121.507 121.223 0.093 0.000 2.046 31 L HA -0.167 4.173 4.340 0.001 0.000 0.208 31 L C 2.246 179.268 176.870 0.254 0.000 1.077 31 L CA 2.632 57.584 54.840 0.187 0.000 0.747 31 L CB -0.661 41.513 42.059 0.192 0.000 0.896 31 L HN 0.597 nan 8.230 nan 0.000 0.432 32 E N -0.281 120.013 120.200 0.157 0.000 2.058 32 E HA -0.276 4.074 4.350 0.001 0.000 0.194 32 E C 1.962 178.642 176.600 0.132 0.000 0.997 32 E CA 1.625 58.113 56.400 0.146 0.000 0.801 32 E CB -0.149 29.585 29.700 0.056 0.000 0.746 32 E HN 0.811 nan 8.360 nan 0.000 0.450 33 E N -0.364 119.890 120.200 0.091 0.000 2.150 33 E HA -0.238 4.113 4.350 0.001 0.000 0.193 33 E C 2.090 178.725 176.600 0.059 0.000 0.985 33 E CA 0.954 57.391 56.400 0.061 0.000 0.814 33 E CB -0.738 28.986 29.700 0.040 0.000 0.752 33 E HN 0.394 nan 8.360 nan 0.000 0.466 34 Y N 2.137 122.417 120.300 -0.033 0.000 2.165 34 Y HA -0.248 4.302 4.550 0.001 0.000 0.286 34 Y C 2.133 177.950 175.900 -0.139 0.000 1.155 34 Y CA 2.082 60.114 58.100 -0.112 0.000 1.164 34 Y CB -0.259 38.087 38.460 -0.190 0.000 0.978 34 Y HN 0.112 nan 8.280 nan 0.000 0.513 35 H N -0.484 118.585 119.070 -0.002 0.000 2.546 35 H HA 0.020 4.576 4.556 0.001 0.000 0.277 35 H C 0.826 176.084 175.328 -0.116 0.000 1.004 35 H CA 1.238 57.236 56.048 -0.082 0.000 1.231 35 H CB -0.218 29.570 29.762 0.044 0.000 1.382 35 H HN 0.541 nan 8.280 nan 0.000 0.580 36 N N -0.218 118.473 118.700 -0.015 0.000 2.270 36 N HA 0.092 4.832 4.740 0.001 0.000 0.198 36 N C 0.911 176.373 175.510 -0.079 0.000 1.117 36 N CA -0.094 52.938 53.050 -0.030 0.000 0.845 36 N CB 0.401 38.886 38.487 -0.003 0.000 0.980 36 N HN 0.137 nan 8.380 nan 0.000 0.486 37 M N 0.010 119.509 119.600 -0.168 0.000 2.419 37 M HA 0.092 4.573 4.480 0.001 0.000 0.252 37 M C 1.470 177.659 176.300 -0.186 0.000 1.143 37 M CA 0.010 55.205 55.300 -0.175 0.000 0.985 37 M CB 0.194 32.660 32.600 -0.223 0.000 1.489 37 M HN 0.189 nan 8.290 nan 0.000 0.484 38 S N 0.002 115.603 115.700 -0.166 0.000 2.407 38 S HA -0.175 4.296 4.470 0.001 0.000 0.235 38 S C 1.407 175.961 174.600 -0.077 0.000 1.036 38 S CA 1.430 59.555 58.200 -0.126 0.000 1.013 38 S CB -0.226 62.929 63.200 -0.076 0.000 0.820 38 S HN 0.397 nan 8.310 nan 0.000 0.476 39 E N 1.380 121.544 120.200 -0.060 0.000 2.465 39 E HA 0.372 4.722 4.350 0.001 0.000 0.191 39 E C 0.073 176.656 176.600 -0.029 0.000 1.053 39 E CA -0.136 56.243 56.400 -0.035 0.000 0.869 39 E CB 0.320 30.004 29.700 -0.025 0.000 0.977 39 E HN 0.514 nan 8.360 nan 0.000 0.483 40 S N 0.038 115.714 115.700 -0.040 0.000 2.632 40 S HA 0.279 4.749 4.470 0.001 0.000 0.267 40 S C 0.321 174.918 174.600 -0.007 0.000 1.276 40 S CA -0.552 57.635 58.200 -0.022 0.000 0.998 40 S CB 1.081 64.264 63.200 -0.028 0.000 0.953 40 S HN 0.311 nan 8.310 nan 0.000 0.547 41 S N 0.546 116.252 115.700 0.011 0.000 2.580 41 S HA 0.108 4.578 4.470 0.001 0.000 0.266 41 S C 1.238 175.858 174.600 0.033 0.000 1.354 41 S CA -0.709 57.505 58.200 0.023 0.000 1.008 41 S CB 0.248 63.467 63.200 0.033 0.000 0.898 41 S HN 0.383 nan 8.310 nan 0.000 0.555 42 V N 1.928 121.865 119.914 0.038 0.000 2.427 42 V HA -0.120 4.001 4.120 0.001 0.000 0.248 42 V C 2.566 178.698 176.094 0.063 0.000 1.051 42 V CA 1.642 63.973 62.300 0.053 0.000 1.048 42 V CB -1.077 30.771 31.823 0.042 0.000 0.666 42 V HN 0.903 nan 8.190 nan 0.000 0.456 43 V N -1.175 118.763 119.914 0.040 0.000 2.667 43 V HA -0.105 4.015 4.120 0.001 0.000 0.252 43 V C 2.281 178.414 176.094 0.064 0.000 1.065 43 V CA 2.039 64.344 62.300 0.008 0.000 1.083 43 V CB -0.219 31.612 31.823 0.014 0.000 0.692 43 V HN 0.479 nan 8.190 nan 0.000 0.468 44 E N 1.170 121.412 120.200 0.069 0.000 2.028 44 E HA -0.098 4.253 4.350 0.001 0.000 0.191 44 E C 2.185 178.836 176.600 0.085 0.000 0.988 44 E CA 1.714 58.154 56.400 0.067 0.000 0.799 44 E CB -0.353 29.375 29.700 0.046 0.000 0.755 44 E HN 0.674 nan 8.360 nan 0.000 0.447 45 K N -0.664 119.796 120.400 0.101 0.000 2.034 45 K HA -0.246 4.074 4.320 0.001 0.000 0.214 45 K C 2.270 179.009 176.600 0.232 0.000 1.051 45 K CA 1.808 58.210 56.287 0.191 0.000 0.931 45 K CB -0.532 32.071 32.500 0.171 0.000 0.715 45 K HN 0.192 nan 8.250 nan 0.000 0.446 46 Y N 1.579 121.912 120.300 0.055 0.000 2.128 46 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 46 Y C 1.773 177.678 175.900 0.008 0.000 1.154 46 Y CA 1.532 59.640 58.100 0.013 0.000 1.149 46 Y CB -0.227 38.153 38.460 -0.132 0.000 0.976 46 Y HN -0.022 nan 8.280 nan 0.000 0.505 47 L N 0.040 121.235 121.223 -0.047 0.000 2.201 47 L HA -0.179 4.161 4.340 0.001 0.000 0.212 47 L C 2.398 179.196 176.870 -0.119 0.000 1.105 47 L CA 1.501 56.292 54.840 -0.081 0.000 0.775 47 L CB -0.478 41.614 42.059 0.054 0.000 0.913 47 L HN 0.115 nan 8.230 nan 0.000 0.440 48 K N 0.817 121.179 120.400 -0.064 0.000 2.062 48 K HA -0.082 4.238 4.320 0.001 0.000 0.205 48 K C 1.947 178.425 176.600 -0.202 0.000 1.051 48 K CA 1.316 57.576 56.287 -0.045 0.000 0.941 48 K CB -0.282 32.288 32.500 0.117 0.000 0.719 48 K HN 0.137 nan 8.250 nan 0.000 0.440 49 L N 0.683 121.707 121.223 -0.331 0.000 2.046 49 L HA -0.175 4.165 4.340 0.001 0.000 0.208 49 L C 2.580 178.923 176.870 -0.879 0.000 1.077 49 L CA 1.644 56.128 54.840 -0.594 0.000 0.747 49 L CB -0.467 41.316 42.059 -0.462 0.000 0.896 49 L HN 0.258 nan 8.230 nan 0.000 0.432 50 K N 0.015 119.935 120.400 -0.800 0.000 2.103 50 K HA -0.212 4.108 4.320 0.001 0.000 0.207 50 K C 1.651 178.006 176.600 -0.409 0.000 1.048 50 K CA 1.747 57.626 56.287 -0.681 0.000 0.930 50 K CB 0.027 32.330 32.500 -0.328 0.000 0.716 50 K HN 0.267 nan 8.250 nan 0.000 0.444 51 D N 0.698 120.934 120.400 -0.273 0.000 2.117 51 D HA -0.122 4.518 4.640 0.001 0.000 0.198 51 D C 1.938 178.142 176.300 -0.161 0.000 0.982 51 D CA 1.045 54.952 54.000 -0.154 0.000 0.828 51 D CB -0.106 40.642 40.800 -0.086 0.000 0.967 51 D HN 0.293 nan 8.370 nan 0.000 0.464 52 I N 0.932 121.372 120.570 -0.217 0.000 2.264 52 I HA -0.290 3.880 4.170 0.001 0.000 0.248 52 I C 2.160 178.180 176.117 -0.162 0.000 1.111 52 I CA 0.885 62.096 61.300 -0.148 0.000 1.382 52 I CB -0.251 37.649 38.000 -0.166 0.000 1.060 52 I HN -0.043 nan 8.210 nan 0.000 0.418 53 N N 1.226 119.695 118.700 -0.386 0.000 2.084 53 N HA -0.185 4.555 4.740 0.001 0.000 0.190 53 N C 1.595 177.031 175.510 -0.122 0.000 1.030 53 N CA 1.504 54.351 53.050 -0.339 0.000 0.849 53 N CB -0.077 38.019 38.487 -0.652 0.000 1.012 53 N HN 0.186 nan 8.380 nan 0.000 0.423 54 N N 0.011 118.642 118.700 -0.114 0.000 2.309 54 N HA -0.031 4.709 4.740 0.001 0.000 0.182 54 N C 1.506 177.024 175.510 0.014 0.000 1.018 54 N CA 0.497 53.531 53.050 -0.028 0.000 0.876 54 N CB -0.149 38.322 38.487 -0.026 0.000 0.972 54 N HN 0.343 nan 8.380 nan 0.000 0.434 55 L N 0.265 121.495 121.223 0.013 0.000 2.156 55 L HA -0.057 4.283 4.340 0.001 0.000 0.208 55 L C 1.998 178.943 176.870 0.125 0.000 1.095 55 L CA 0.910 55.788 54.840 0.063 0.000 0.770 55 L CB -0.485 41.603 42.059 0.048 0.000 0.914 55 L HN 0.109 nan 8.230 nan 0.000 0.439 56 T N -0.508 114.120 114.554 0.122 0.000 2.777 56 T HA -0.145 4.206 4.350 0.001 0.000 0.266 56 T C 1.307 176.123 174.700 0.193 0.000 1.040 56 T CA 1.590 63.799 62.100 0.181 0.000 1.141 56 T CB -0.299 68.696 68.868 0.212 0.000 0.868 56 T HN 0.518 nan 8.240 nan 0.000 0.444 57 D N 1.006 121.482 120.400 0.128 0.000 2.347 57 D HA -0.035 4.606 4.640 0.001 0.000 0.213 57 D C 1.686 178.051 176.300 0.109 0.000 0.985 57 D CA 0.250 54.322 54.000 0.120 0.000 0.879 57 D CB -0.801 40.049 40.800 0.083 0.000 0.919 57 D HN 0.391 nan 8.370 nan 0.000 0.526 58 N N -0.303 118.464 118.700 0.110 0.000 2.084 58 N HA -0.276 4.465 4.740 0.001 0.000 0.190 58 N C 1.690 177.273 175.510 0.121 0.000 1.030 58 N CA 0.861 53.964 53.050 0.089 0.000 0.849 58 N CB -0.288 38.248 38.487 0.082 0.000 1.012 58 N HN 0.284 nan 8.380 nan 0.000 0.423 59 Y N 1.821 122.190 120.300 0.116 0.000 2.070 59 Y HA -0.188 4.363 4.550 0.001 0.000 0.280 59 Y C 2.476 178.488 175.900 0.187 0.000 1.148 59 Y CA 1.754 59.978 58.100 0.206 0.000 1.125 59 Y CB -0.561 38.021 38.460 0.203 0.000 0.975 59 Y HN 0.032 nan 8.280 nan 0.000 0.492 60 L N 0.314 121.733 121.223 0.326 0.000 2.051 60 L HA -0.349 3.991 4.340 0.001 0.000 0.214 60 L C 2.061 178.957 176.870 0.043 0.000 1.076 60 L CA 1.690 56.647 54.840 0.195 0.000 0.758 60 L CB -0.751 41.411 42.059 0.171 0.000 0.890 60 L HN 0.352 nan 8.230 nan 0.000 0.433 61 N N -0.989 117.716 118.700 0.008 0.000 2.270 61 N HA -0.103 4.637 4.740 0.001 0.000 0.181 61 N C 1.835 177.257 175.510 -0.148 0.000 1.016 61 N CA 1.561 54.581 53.050 -0.049 0.000 0.870 61 N CB -0.325 38.142 38.487 -0.033 0.000 0.979 61 N HN 0.305 nan 8.380 nan 0.000 0.431 62 T N -0.573 113.826 114.554 -0.258 0.000 2.937 62 T HA 0.005 4.355 4.350 0.001 0.000 0.260 62 T C 0.063 174.309 174.700 -0.757 0.000 1.051 62 T CA 0.895 62.663 62.100 -0.554 0.000 1.141 62 T CB -0.082 68.343 68.868 -0.738 0.000 0.879 62 T HN 0.209 nan 8.240 nan 0.000 0.459 63 Y N 1.435 121.542 120.300 -0.322 0.000 2.747 63 Y HA 0.418 4.969 4.550 0.001 0.000 0.362 63 Y C 1.093 176.898 175.900 -0.159 0.000 1.026 63 Y CA -1.106 56.816 58.100 -0.297 0.000 1.135 63 Y CB 0.281 38.416 38.460 -0.542 0.000 1.175 63 Y HN -0.046 nan 8.280 nan 0.000 0.643 64 K N 0.533 120.925 120.400 -0.014 0.000 2.360 64 K HA -0.110 4.210 4.320 0.001 0.000 0.201 64 K C 0.876 177.493 176.600 0.030 0.000 1.046 64 K CA 1.197 57.489 56.287 0.007 0.000 0.945 64 K CB 0.159 32.649 32.500 -0.017 0.000 0.750 64 K HN 0.489 nan 8.250 nan 0.000 0.464 65 K N 0.322 120.746 120.400 0.039 0.000 2.374 65 K HA 0.089 4.410 4.320 0.001 0.000 0.202 65 K C 0.374 176.998 176.600 0.039 0.000 1.040 65 K CA -0.185 56.122 56.287 0.033 0.000 1.085 65 K CB 1.037 33.550 32.500 0.022 0.000 0.873 65 K HN -0.102 nan 8.250 nan 0.000 0.539 66 S N 0.446 116.185 115.700 0.064 0.000 2.558 66 S HA 0.048 4.519 4.470 0.001 0.000 0.288 66 S C 1.317 175.933 174.600 0.025 0.000 1.318 66 S CA -0.134 58.096 58.200 0.049 0.000 1.056 66 S CB 0.808 64.076 63.200 0.113 0.000 0.853 66 S HN 0.438 nan 8.310 nan 0.000 0.505 67 G N 3.598 112.384 108.800 -0.023 0.000 2.848 67 G HA2 -0.027 3.934 3.960 0.001 0.000 0.208 67 G HA3 -0.027 3.934 3.960 0.001 0.000 0.208 67 G C 1.321 176.174 174.900 -0.079 0.000 1.152 67 G CA -0.166 44.906 45.100 -0.047 0.000 0.789 67 G HN 0.784 nan 8.290 nan 0.000 0.531 68 R N 0.141 120.581 120.500 -0.100 0.000 2.200 68 R HA 0.062 4.403 4.340 0.001 0.000 0.208 68 R C 1.948 178.193 176.300 -0.093 0.000 1.033 68 R CA 0.443 56.428 56.100 -0.192 0.000 1.000 68 R CB -0.293 29.739 30.300 -0.446 0.000 0.906 68 R HN 0.423 nan 8.270 nan 0.000 0.462 69 N N 1.485 120.196 118.700 0.018 0.000 2.061 69 N HA -0.242 4.498 4.740 0.001 0.000 0.193 69 N C 1.806 177.333 175.510 0.027 0.000 1.030 69 N CA 1.338 54.428 53.050 0.066 0.000 0.856 69 N CB -0.084 38.462 38.487 0.099 0.000 1.023 69 N HN 0.209 nan 8.380 nan 0.000 0.424 70 K N 1.304 121.708 120.400 0.006 0.000 2.057 70 K HA -0.089 4.231 4.320 0.001 0.000 0.207 70 K C 2.042 178.634 176.600 -0.013 0.000 1.049 70 K CA 1.289 57.575 56.287 -0.001 0.000 0.931 70 K CB -0.072 32.425 32.500 -0.004 0.000 0.714 70 K HN 0.096 nan 8.250 nan 0.000 0.440 71 A N 1.177 123.985 122.820 -0.021 0.000 1.930 71 A HA -0.058 4.263 4.320 0.001 0.000 0.217 71 A C 2.064 179.648 177.584 -0.000 0.000 1.175 71 A CA 1.113 53.138 52.037 -0.020 0.000 0.627 71 A CB -0.458 18.525 19.000 -0.029 0.000 0.815 71 A HN 0.344 nan 8.150 nan 0.000 0.443 72 L N -1.095 120.129 121.223 0.002 0.000 2.313 72 L HA -0.092 4.248 4.340 0.001 0.000 0.214 72 L C 2.379 179.316 176.870 0.113 0.000 1.119 72 L CA 1.018 55.901 54.840 0.072 0.000 0.809 72 L CB -0.253 41.816 42.059 0.017 0.000 0.933 72 L HN 0.355 nan 8.230 nan 0.000 0.449 73 K N -0.112 120.316 120.400 0.046 0.000 2.116 73 K HA -0.150 4.170 4.320 0.001 0.000 0.203 73 K C 2.073 178.644 176.600 -0.049 0.000 1.052 73 K CA 0.636 56.933 56.287 0.017 0.000 0.952 73 K CB 0.048 32.554 32.500 0.009 0.000 0.729 73 K HN -0.083 nan 8.250 nan 0.000 0.446 74 K N 1.190 121.529 120.400 -0.101 0.000 2.063 74 K HA -0.155 4.165 4.320 0.001 0.000 0.208 74 K C 1.739 178.055 176.600 -0.472 0.000 1.048 74 K CA 1.258 57.367 56.287 -0.297 0.000 0.928 74 K CB -0.513 31.814 32.500 -0.288 0.000 0.713 74 K HN 0.029 nan 8.250 nan 0.000 0.442 75 F N 1.716 121.460 119.950 -0.344 0.000 2.126 75 F HA -0.169 4.358 4.527 0.001 0.000 0.299 75 F C 1.540 177.296 175.800 -0.074 0.000 1.096 75 F CA 1.703 59.599 58.000 -0.172 0.000 1.255 75 F CB -0.110 38.872 39.000 -0.030 0.000 0.997 75 F HN -0.006 nan 8.300 nan 0.000 0.479 76 K N 0.207 120.546 120.400 -0.103 0.000 2.063 76 K HA -0.202 4.118 4.320 0.001 0.000 0.208 76 K C 1.935 178.489 176.600 -0.077 0.000 1.048 76 K CA 1.855 58.065 56.287 -0.127 0.000 0.928 76 K CB -0.457 32.042 32.500 -0.001 0.000 0.713 76 K HN 0.447 nan 8.250 nan 0.000 0.442 77 E N 0.020 120.166 120.200 -0.091 0.000 2.118 77 E HA -0.191 4.159 4.350 0.001 0.000 0.195 77 E C 1.932 178.575 176.600 0.072 0.000 0.992 77 E CA 1.166 57.549 56.400 -0.028 0.000 0.804 77 E CB -0.157 29.498 29.700 -0.075 0.000 0.741 77 E HN 0.326 nan 8.360 nan 0.000 0.458 78 Y N 0.620 120.887 120.300 -0.056 0.000 2.293 78 Y HA -0.106 4.445 4.550 0.001 0.000 0.291 78 Y C 2.144 177.963 175.900 -0.135 0.000 1.137 78 Y CA 0.490 58.549 58.100 -0.068 0.000 1.202 78 Y CB -0.585 37.857 38.460 -0.029 0.000 0.990 78 Y HN 0.030 nan 8.280 nan 0.000 0.537 79 L N -1.206 119.957 121.223 -0.100 0.000 2.056 79 L HA -0.200 4.141 4.340 0.001 0.000 0.207 79 L C 2.294 179.275 176.870 0.184 0.000 1.078 79 L CA 1.678 56.452 54.840 -0.110 0.000 0.749 79 L CB -0.904 40.972 42.059 -0.304 0.000 0.901 79 L HN 0.096 nan 8.230 nan 0.000 0.433 80 T N -0.436 114.231 114.554 0.187 0.000 2.821 80 T HA -0.154 4.196 4.350 0.001 0.000 0.267 80 T C 1.917 176.662 174.700 0.075 0.000 1.046 80 T CA 1.287 63.448 62.100 0.102 0.000 1.139 80 T CB -0.135 68.776 68.868 0.072 0.000 0.871 80 T HN 0.210 nan 8.240 nan 0.000 0.454 81 M N 0.628 120.283 119.600 0.093 0.000 2.279 81 M HA -0.080 4.401 4.480 0.001 0.000 0.264 81 M C 2.310 178.646 176.300 0.061 0.000 1.062 81 M CA 1.262 56.607 55.300 0.075 0.000 1.099 81 M CB -0.164 32.496 32.600 0.100 0.000 1.394 81 M HN 0.101 nan 8.290 nan 0.000 0.426 82 E N 0.213 120.455 120.200 0.070 0.000 2.107 82 E HA -0.091 4.259 4.350 0.001 0.000 0.191 82 E C 1.707 178.368 176.600 0.101 0.000 0.982 82 E CA 0.951 57.391 56.400 0.067 0.000 0.809 82 E CB -0.121 29.584 29.700 0.010 0.000 0.756 82 E HN 0.242 nan 8.360 nan 0.000 0.459 83 V N 1.048 121.042 119.914 0.133 0.000 2.231 83 V HA -0.333 3.788 4.120 0.001 0.000 0.250 83 V C 2.492 178.632 176.094 0.077 0.000 1.058 83 V CA 2.150 64.544 62.300 0.156 0.000 1.022 83 V CB -0.669 31.225 31.823 0.117 0.000 0.640 83 V HN 0.342 nan 8.190 nan 0.000 0.445 84 L N -0.487 120.752 121.223 0.028 0.000 2.083 84 L HA -0.205 4.135 4.340 0.001 0.000 0.209 84 L C 2.603 179.460 176.870 -0.022 0.000 1.083 84 L CA 1.749 56.567 54.840 -0.036 0.000 0.752 84 L CB -0.527 41.497 42.059 -0.059 0.000 0.899 84 L HN 0.390 nan 8.230 nan 0.000 0.433 85 E N 0.594 120.802 120.200 0.015 0.000 2.072 85 E HA -0.187 4.163 4.350 0.001 0.000 0.191 85 E C 2.233 178.855 176.600 0.037 0.000 0.985 85 E CA 1.103 57.517 56.400 0.024 0.000 0.801 85 E CB -0.126 29.600 29.700 0.043 0.000 0.750 85 E HN 0.343 nan 8.360 nan 0.000 0.452 86 L N 0.357 121.620 121.223 0.066 0.000 2.012 86 L HA -0.216 4.124 4.340 0.001 0.000 0.210 86 L C 2.672 179.565 176.870 0.038 0.000 1.073 86 L CA 1.679 56.564 54.840 0.075 0.000 0.748 86 L CB -0.522 41.613 42.059 0.127 0.000 0.891 86 L HN 0.148 nan 8.230 nan 0.000 0.431 87 K N 0.155 120.565 120.400 0.018 0.000 2.032 87 K HA -0.207 4.113 4.320 0.001 0.000 0.209 87 K C 1.916 178.500 176.600 -0.027 0.000 1.048 87 K CA 1.856 58.136 56.287 -0.012 0.000 0.927 87 K CB 0.002 32.469 32.500 -0.054 0.000 0.712 87 K HN 0.270 nan 8.250 nan 0.000 0.441 88 N N 0.907 119.584 118.700 -0.038 0.000 2.244 88 N HA -0.098 4.642 4.740 0.001 0.000 0.183 88 N C 0.742 176.242 175.510 -0.018 0.000 1.016 88 N CA 0.882 53.907 53.050 -0.040 0.000 0.866 88 N CB -0.166 38.293 38.487 -0.046 0.000 0.980 88 N HN 0.247 nan 8.380 nan 0.000 0.430 89 N N -0.020 118.678 118.700 -0.003 0.000 2.276 89 N HA 0.054 4.795 4.740 0.001 0.000 0.212 89 N C 0.041 175.555 175.510 0.007 0.000 1.127 89 N CA 0.141 53.193 53.050 0.004 0.000 0.834 89 N CB 0.406 38.900 38.487 0.011 0.000 1.014 89 N HN 0.184 nan 8.380 nan 0.000 0.491 90 S N -0.687 115.017 115.700 0.007 0.000 2.855 90 S HA 0.248 4.719 4.470 0.001 0.000 0.249 90 S C 0.045 174.650 174.600 0.009 0.000 1.033 90 S CA -0.547 57.660 58.200 0.012 0.000 1.038 90 S CB 0.192 63.404 63.200 0.020 0.000 0.960 90 S HN -0.113 nan 8.310 nan 0.000 0.548 91 L N 3.915 125.139 121.223 0.002 0.000 2.410 91 L HA 0.551 4.892 4.340 0.001 0.000 0.273 91 L C 0.661 177.532 176.870 0.002 0.000 1.152 91 L CA 0.863 55.702 54.840 -0.001 0.000 0.855 91 L CB 0.351 42.404 42.059 -0.009 0.000 1.129 91 L HN 0.607 nan 8.230 nan 0.000 0.463 92 T N 1.584 116.141 114.554 0.004 0.000 2.923 92 T HA 0.620 4.970 4.350 0.001 0.000 0.311 92 T C -2.944 171.757 174.700 0.001 0.000 1.183 92 T CA -2.036 60.066 62.100 0.003 0.000 1.020 92 T CB 1.983 70.855 68.868 0.006 0.000 1.165 92 T HN 0.193 nan 8.240 nan 0.000 0.482 93 P HA 0.245 nan 4.420 nan 0.000 0.268 93 P C 0.584 177.878 177.300 -0.011 0.000 1.204 93 P CA -0.467 62.630 63.100 -0.004 0.000 0.768 93 P CB 0.183 31.879 31.700 -0.007 0.000 0.842 94 V N 0.703 120.613 119.914 -0.007 0.000 3.237 94 V HA 0.114 4.234 4.120 0.001 0.000 0.305 94 V C 0.628 176.690 176.094 -0.054 0.000 1.096 94 V CA -0.549 61.743 62.300 -0.014 0.000 1.130 94 V CB -0.564 31.262 31.823 0.004 0.000 1.048 94 V HN 0.345 nan 8.190 nan 0.000 0.484 95 E N 1.009 121.176 120.200 -0.055 0.000 2.442 95 E HA 0.134 4.484 4.350 0.001 0.000 0.262 95 E C -0.002 176.486 176.600 -0.186 0.000 1.004 95 E CA 0.314 56.657 56.400 -0.094 0.000 0.928 95 E CB 0.131 29.803 29.700 -0.046 0.000 0.937 95 E HN 0.579 nan 8.360 nan 0.000 0.446 96 K N 3.249 123.453 120.400 -0.327 0.000 2.518 96 K HA 0.191 4.512 4.320 0.001 0.000 0.244 96 K C -0.622 175.761 176.600 -0.363 0.000 1.232 96 K CA -0.260 55.571 56.287 -0.760 0.000 1.189 96 K CB -0.111 31.800 32.500 -0.982 0.000 1.737 96 K HN 0.333 nan 8.250 nan 0.000 0.333 97 N N 1.808 120.454 118.700 -0.091 0.000 2.284 97 N HA 0.298 5.038 4.740 0.001 0.000 0.300 97 N C -1.326 174.223 175.510 0.065 0.000 1.047 97 N CA -0.716 52.357 53.050 0.039 0.000 0.821 97 N CB 2.121 40.597 38.487 -0.019 0.000 1.337 97 N HN 0.105 nan 8.380 nan 0.000 0.482 98 L N 2.219 123.519 121.223 0.129 0.000 2.333 98 L HA 0.392 4.732 4.340 0.001 0.000 0.280 98 L C -0.765 176.149 176.870 0.073 0.000 1.004 98 L CA -0.424 54.407 54.840 -0.014 0.000 0.820 98 L CB 0.661 42.737 42.059 0.028 0.000 1.247 98 L HN 0.547 nan 8.230 nan 0.000 0.416 99 H N 4.909 123.884 119.070 -0.159 0.000 2.466 99 H HA 0.553 5.109 4.556 0.001 0.000 0.338 99 H C -1.230 173.844 175.328 -0.422 0.000 1.091 99 H CA -0.580 55.470 56.048 0.003 0.000 1.207 99 H CB 1.417 31.369 29.762 0.317 0.000 1.466 99 H HN 0.459 nan 8.280 nan 0.000 0.493 100 F N 2.043 122.104 119.950 0.185 0.000 2.611 100 F HA 0.558 5.086 4.527 0.001 0.000 0.324 100 F C -0.361 175.649 175.800 0.349 0.000 1.061 100 F CA -0.820 57.234 58.000 0.091 0.000 0.954 100 F CB 1.844 40.852 39.000 0.014 0.000 1.301 100 F HN 0.268 nan 8.300 nan 0.000 0.482 101 I N 1.441 122.362 120.570 0.585 0.000 2.571 101 I HA 0.196 4.366 4.170 0.001 0.000 0.289 101 I C -1.801 174.646 176.117 0.550 0.000 1.115 101 I CA -0.448 61.175 61.300 0.538 0.000 1.045 101 I CB 2.263 40.537 38.000 0.458 0.000 1.238 101 I HN 0.548 nan 8.210 nan 0.000 0.424 102 W N 9.081 130.551 121.300 0.283 0.000 2.687 102 W HA 0.615 5.275 4.660 0.000 0.000 0.328 102 W C -1.732 174.942 176.519 0.258 0.000 1.012 102 W CA -0.571 56.913 57.345 0.232 0.000 1.262 102 W CB 1.635 31.198 29.460 0.173 0.000 1.331 102 W HN 0.371 nan 8.180 nan 0.000 0.433 103 I N 2.047 122.429 120.570 -0.314 0.000 2.846 103 I HA 0.903 5.073 4.170 0.001 0.000 0.307 103 I C 0.841 176.784 176.117 -0.290 0.000 1.053 103 I CA -0.489 60.728 61.300 -0.138 0.000 1.050 103 I CB 2.060 40.057 38.000 -0.004 0.000 1.239 103 I HN 0.626 nan 8.210 nan 0.000 0.439 104 G N 1.988 110.757 108.800 -0.052 0.000 2.141 104 G HA2 0.212 4.173 3.960 0.001 0.000 0.231 104 G HA3 0.212 4.173 3.960 0.001 0.000 0.231 104 G C 0.228 175.203 174.900 0.124 0.000 0.984 104 G CA -0.072 45.017 45.100 -0.017 0.000 0.660 104 G HN 1.923 nan 8.290 nan 0.000 0.525 105 G N -1.583 107.407 108.800 0.318 0.000 2.315 105 G HA2 0.575 4.535 3.960 0.001 0.000 0.294 105 G HA3 0.575 4.535 3.960 0.001 0.000 0.294 105 G C -0.842 174.390 174.900 0.554 0.000 1.300 105 G CA 0.239 45.636 45.100 0.496 0.000 0.843 105 G HN 0.778 nan 8.290 nan 0.000 0.527 106 Q N -0.193 119.834 119.800 0.378 0.000 2.332 106 Q HA 0.442 4.783 4.340 0.001 0.000 0.263 106 Q C 0.306 176.425 176.000 0.199 0.000 0.979 106 Q CA -0.466 55.389 55.803 0.088 0.000 0.885 106 Q CB 1.024 29.640 28.738 -0.203 0.000 1.218 106 Q HN 0.567 nan 8.270 nan 0.000 0.405 107 I N 4.151 124.737 120.570 0.028 0.000 2.648 107 I HA -0.048 4.123 4.170 0.001 0.000 0.284 107 I C 0.266 176.162 176.117 -0.368 0.000 1.153 107 I CA 0.293 61.355 61.300 -0.396 0.000 1.426 107 I CB 0.367 38.213 38.000 -0.257 0.000 1.381 107 I HN 0.727 nan 8.210 nan 0.000 0.571 108 N N 4.875 123.258 118.700 -0.529 0.000 2.445 108 N HA -0.000 4.740 4.740 0.001 0.000 0.264 108 N C 0.279 175.625 175.510 -0.273 0.000 1.227 108 N CA -0.528 52.327 53.050 -0.325 0.000 0.963 108 N CB 1.023 39.316 38.487 -0.324 0.000 1.188 108 N HN 0.622 nan 8.380 nan 0.000 0.491 109 D N 1.022 121.314 120.400 -0.181 0.000 2.123 109 D HA -0.128 4.512 4.640 0.001 0.000 0.196 109 D C 1.468 177.688 176.300 -0.133 0.000 0.992 109 D CA 1.580 55.500 54.000 -0.134 0.000 0.833 109 D CB -0.401 40.348 40.800 -0.086 0.000 0.954 109 D HN 0.585 nan 8.370 nan 0.000 0.455 110 T N 1.188 115.644 114.554 -0.162 0.000 2.635 110 T HA -0.215 4.136 4.350 0.001 0.000 0.267 110 T C 2.053 176.575 174.700 -0.297 0.000 1.040 110 T CA 2.010 63.994 62.100 -0.194 0.000 1.156 110 T CB -0.496 68.215 68.868 -0.261 0.000 0.863 110 T HN 0.235 nan 8.240 nan 0.000 0.430 111 A N 1.701 124.288 122.820 -0.388 0.000 1.873 111 A HA -0.131 4.189 4.320 0.001 0.000 0.218 111 A C 2.290 179.740 177.584 -0.225 0.000 1.193 111 A CA 1.527 53.341 52.037 -0.372 0.000 0.629 111 A CB -0.842 17.842 19.000 -0.526 0.000 0.826 111 A HN 0.417 nan 8.150 nan 0.000 0.447 112 I N 0.361 120.808 120.570 -0.205 0.000 2.208 112 I HA -0.267 3.903 4.170 0.001 0.000 0.245 112 I C 2.067 178.146 176.117 -0.063 0.000 1.097 112 I CA 1.916 63.129 61.300 -0.145 0.000 1.363 112 I CB -1.912 36.009 38.000 -0.130 0.000 1.051 112 I HN 0.452 nan 8.210 nan 0.000 0.413 113 N N -0.417 118.288 118.700 0.009 0.000 2.166 113 N HA -0.223 4.518 4.740 0.001 0.000 0.186 113 N C 1.873 177.485 175.510 0.170 0.000 1.019 113 N CA 1.031 54.142 53.050 0.101 0.000 0.856 113 N CB -0.142 38.441 38.487 0.160 0.000 0.993 113 N HN 0.227 nan 8.380 nan 0.000 0.426 114 Y N 1.111 121.384 120.300 -0.045 0.000 2.163 114 Y HA -0.017 4.533 4.550 0.001 0.000 0.288 114 Y C 2.042 177.941 175.900 -0.000 0.000 1.136 114 Y CA 0.519 58.613 58.100 -0.009 0.000 1.147 114 Y CB -0.540 37.942 38.460 0.037 0.000 0.987 114 Y HN 0.035 nan 8.280 nan 0.000 0.509 115 I N 0.222 120.788 120.570 -0.007 0.000 2.194 115 I HA -0.397 3.773 4.170 0.001 0.000 0.246 115 I C 1.831 177.921 176.117 -0.045 0.000 1.093 115 I CA 1.840 62.972 61.300 -0.279 0.000 1.355 115 I CB -0.581 37.048 38.000 -0.618 0.000 1.046 115 I HN 0.296 nan 8.210 nan 0.000 0.413 116 N N 0.095 118.767 118.700 -0.046 0.000 2.272 116 N HA -0.212 4.528 4.740 0.001 0.000 0.185 116 N C 1.770 177.250 175.510 -0.051 0.000 1.014 116 N CA 0.747 53.777 53.050 -0.033 0.000 0.870 116 N CB 0.002 38.469 38.487 -0.032 0.000 0.975 116 N HN 0.414 nan 8.380 nan 0.000 0.433 117 Q N -0.089 119.647 119.800 -0.107 0.000 2.083 117 Q HA -0.117 4.224 4.340 0.001 0.000 0.198 117 Q C 1.637 177.450 176.000 -0.312 0.000 0.969 117 Q CA 1.204 56.838 55.803 -0.281 0.000 0.838 117 Q CB -0.548 27.872 28.738 -0.531 0.000 0.900 117 Q HN 0.565 nan 8.270 nan 0.000 0.436 118 W N 1.874 123.066 121.300 -0.180 0.000 2.355 118 W HA -0.089 4.571 4.660 0.001 0.000 0.309 118 W C 2.364 178.850 176.519 -0.054 0.000 1.206 118 W CA 0.873 58.157 57.345 -0.101 0.000 1.284 118 W CB -0.219 29.273 29.460 0.053 0.000 1.145 118 W HN 0.113 nan 8.180 nan 0.000 0.502 119 K N 0.063 120.583 120.400 0.201 0.000 2.044 119 K HA -0.213 4.108 4.320 0.001 0.000 0.210 119 K C 1.475 178.111 176.600 0.059 0.000 1.049 119 K CA 1.938 58.295 56.287 0.116 0.000 0.927 119 K CB -0.508 32.030 32.500 0.064 0.000 0.713 119 K HN 0.061 nan 8.250 nan 0.000 0.443 120 D N 0.064 120.465 120.400 0.002 0.000 2.117 120 D HA -0.131 4.509 4.640 0.001 0.000 0.197 120 D C 1.777 178.064 176.300 -0.022 0.000 0.987 120 D CA 1.416 55.398 54.000 -0.031 0.000 0.829 120 D CB -0.077 40.667 40.800 -0.093 0.000 0.961 120 D HN 0.209 nan 8.370 nan 0.000 0.460 121 V N -2.084 117.812 119.914 -0.029 0.000 3.649 121 V HA 0.218 4.339 4.120 0.001 0.000 0.275 121 V C 0.283 176.391 176.094 0.024 0.000 1.281 121 V CA 0.161 62.451 62.300 -0.017 0.000 1.143 121 V CB -0.173 31.624 31.823 -0.043 0.000 0.892 121 V HN -0.026 nan 8.190 nan 0.000 0.441 122 N N 0.715 119.453 118.700 0.062 0.000 2.818 122 N HA 0.296 5.037 4.740 0.001 0.000 0.301 122 N C 0.794 176.408 175.510 0.172 0.000 1.821 122 N CA 0.230 53.350 53.050 0.116 0.000 0.930 122 N CB 1.492 40.013 38.487 0.055 0.000 1.263 122 N HN 0.273 nan 8.380 nan 0.000 0.487 123 S N 1.101 116.878 115.700 0.128 0.000 2.387 123 S HA -0.175 4.296 4.470 0.001 0.000 0.230 123 S C 1.430 176.109 174.600 0.131 0.000 1.035 123 S CA 1.460 59.725 58.200 0.108 0.000 1.014 123 S CB -0.029 63.214 63.200 0.073 0.000 0.836 123 S HN 0.619 nan 8.310 nan 0.000 0.466 124 D N -0.717 119.786 120.400 0.172 0.000 2.349 124 D HA -0.042 4.599 4.640 0.001 0.000 0.224 124 D C -0.230 176.142 176.300 0.119 0.000 1.029 124 D CA 0.232 54.312 54.000 0.133 0.000 0.879 124 D CB -0.283 40.583 40.800 0.110 0.000 0.906 124 D HN 0.314 nan 8.370 nan 0.000 0.528 125 Y N 0.395 120.728 120.300 0.055 0.000 2.387 125 Y HA 0.374 4.924 4.550 0.001 0.000 0.336 125 Y C 0.533 176.469 175.900 0.059 0.000 1.067 125 Y CA -0.987 57.146 58.100 0.055 0.000 1.114 125 Y CB 1.963 40.464 38.460 0.068 0.000 1.208 125 Y HN -0.323 nan 8.280 nan 0.000 0.458 126 T N 3.598 118.246 114.554 0.157 0.000 2.728 126 T HA 0.375 4.725 4.350 0.001 0.000 0.296 126 T C -0.471 174.330 174.700 0.168 0.000 0.940 126 T CA -0.510 61.668 62.100 0.129 0.000 1.013 126 T CB 0.086 69.004 68.868 0.084 0.000 0.912 126 T HN 0.273 nan 8.240 nan 0.000 0.484 127 V N 5.720 125.726 119.914 0.154 0.000 2.364 127 V HA 0.335 4.455 4.120 0.001 0.000 0.272 127 V C 0.259 176.414 176.094 0.103 0.000 1.036 127 V CA -0.683 61.723 62.300 0.177 0.000 0.880 127 V CB 0.715 32.654 31.823 0.193 0.000 0.991 127 V HN 0.731 nan 8.190 nan 0.000 0.460 128 K N 4.007 124.460 120.400 0.089 0.000 2.244 128 K HA 0.695 5.015 4.320 0.001 0.000 0.260 128 K C -1.236 175.246 176.600 -0.195 0.000 0.951 128 K CA -0.745 55.425 56.287 -0.195 0.000 0.826 128 K CB 2.495 34.698 32.500 -0.495 0.000 1.108 128 K HN 0.417 nan 8.250 nan 0.000 0.433 129 V N 4.404 124.190 119.914 -0.213 0.000 2.304 129 V HA 0.291 4.412 4.120 0.001 0.000 0.278 129 V C -0.611 175.479 176.094 -0.007 0.000 1.018 129 V CA -0.859 61.440 62.300 -0.002 0.000 0.814 129 V CB -0.323 31.539 31.823 0.065 0.000 1.021 129 V HN 0.562 nan 8.190 nan 0.000 0.440 130 F N 5.163 125.235 119.950 0.204 0.000 2.429 130 F HA 0.618 5.145 4.527 0.001 0.000 0.348 130 F C 0.239 176.198 175.800 0.266 0.000 1.109 130 F CA -0.102 57.970 58.000 0.121 0.000 1.232 130 F CB 0.659 39.626 39.000 -0.055 0.000 1.157 130 F HN 0.629 nan 8.300 nan 0.000 0.564 131 Y N -0.966 119.470 120.300 0.227 0.000 2.689 131 Y HA 0.581 5.132 4.550 0.001 0.000 0.333 131 Y C -1.814 174.117 175.900 0.051 0.000 1.190 131 Y CA -1.852 56.345 58.100 0.163 0.000 1.063 131 Y CB 1.164 39.757 38.460 0.221 0.000 1.294 131 Y HN 0.423 nan 8.280 nan 0.000 0.466 132 D N 0.842 121.211 120.400 -0.051 0.000 2.462 132 D HA 0.196 4.836 4.640 0.001 0.000 0.245 132 D C 0.411 176.485 176.300 -0.376 0.000 1.122 132 D CA 0.033 53.916 54.000 -0.195 0.000 0.864 132 D CB 1.738 42.535 40.800 -0.006 0.000 1.098 132 D HN 0.739 nan 8.370 nan 0.000 0.541 133 S N 2.538 118.017 115.700 -0.368 0.000 2.515 133 S HA -0.054 4.416 4.470 0.001 0.000 0.231 133 S C 1.105 175.525 174.600 -0.300 0.000 0.987 133 S CA 0.465 58.463 58.200 -0.337 0.000 0.936 133 S CB -0.162 63.089 63.200 0.086 0.000 0.766 133 S HN 0.523 nan 8.310 nan 0.000 0.528 134 N N 0.883 119.473 118.700 -0.184 0.000 2.373 134 N HA 0.264 5.004 4.740 0.001 0.000 0.181 134 N C 0.383 175.871 175.510 -0.036 0.000 1.082 134 N CA 0.615 53.639 53.050 -0.042 0.000 0.885 134 N CB 0.270 38.770 38.487 0.022 0.000 0.977 134 N HN 0.527 nan 8.380 nan 0.000 0.462 135 A N 0.012 122.746 122.820 -0.143 0.000 2.959 135 A HA 0.293 4.614 4.320 0.001 0.000 0.280 135 A C -0.083 177.481 177.584 -0.032 0.000 0.953 135 A CA -0.505 51.498 52.037 -0.057 0.000 1.047 135 A CB -0.546 18.433 19.000 -0.034 0.000 1.147 135 A HN 0.061 nan 8.150 nan 0.000 0.489 136 F N -0.334 119.698 119.950 0.136 0.000 2.604 136 F HA 0.080 4.607 4.527 0.000 0.000 0.298 136 F C 1.510 177.418 175.800 0.180 0.000 1.131 136 F CA 1.107 59.209 58.000 0.169 0.000 1.457 136 F CB -0.052 39.052 39.000 0.174 0.000 1.095 136 F HN 0.363 nan 8.300 nan 0.000 0.574 137 L N -0.704 120.663 121.223 0.240 0.000 2.667 137 L HA 0.058 4.398 4.340 0.001 0.000 0.232 137 L C 1.860 178.675 176.870 -0.092 0.000 1.138 137 L CA -0.264 54.624 54.840 0.081 0.000 0.921 137 L CB -0.122 41.964 42.059 0.046 0.000 1.180 137 L HN 0.009 nan 8.230 nan 0.000 0.487 138 I N 0.618 121.137 120.570 -0.085 0.000 2.118 138 I HA -0.314 3.857 4.170 0.001 0.000 0.241 138 I C 1.886 177.829 176.117 -0.289 0.000 1.070 138 I CA 1.813 62.983 61.300 -0.216 0.000 1.327 138 I CB -1.131 36.796 38.000 -0.121 0.000 1.034 138 I HN 0.390 nan 8.210 nan 0.000 0.405 139 N N 0.125 118.734 118.700 -0.152 0.000 2.120 139 N HA -0.144 4.597 4.740 0.001 0.000 0.188 139 N C 1.730 177.107 175.510 -0.222 0.000 1.024 139 N CA 2.003 54.968 53.050 -0.142 0.000 0.852 139 N CB -0.187 38.283 38.487 -0.028 0.000 1.003 139 N HN 0.326 nan 8.380 nan 0.000 0.424 140 T N 1.225 115.633 114.554 -0.244 0.000 2.652 140 T HA -0.162 4.189 4.350 0.001 0.000 0.267 140 T C 1.827 176.301 174.700 -0.376 0.000 1.039 140 T CA 0.892 62.812 62.100 -0.299 0.000 1.153 140 T CB -0.476 68.209 68.868 -0.306 0.000 0.863 140 T HN 0.118 nan 8.240 nan 0.000 0.428 141 L N 1.622 122.553 121.223 -0.487 0.000 1.990 141 L HA -0.111 4.229 4.340 0.001 0.000 0.213 141 L C 2.402 178.730 176.870 -0.903 0.000 1.072 141 L CA 2.086 56.484 54.840 -0.735 0.000 0.755 141 L CB -0.679 40.777 42.059 -1.005 0.000 0.889 141 L HN 0.169 nan 8.230 nan 0.000 0.432 142 K N -0.445 119.396 120.400 -0.932 0.000 2.009 142 K HA -0.246 4.075 4.320 0.001 0.000 0.210 142 K C 2.154 178.589 176.600 -0.274 0.000 1.049 142 K CA 2.031 57.939 56.287 -0.632 0.000 0.929 142 K CB -0.179 32.197 32.500 -0.207 0.000 0.714 142 K HN 0.332 nan 8.250 nan 0.000 0.440 143 K N -0.244 120.020 120.400 -0.226 0.000 2.103 143 K HA -0.106 4.214 4.320 0.001 0.000 0.207 143 K C 2.137 178.626 176.600 -0.186 0.000 1.048 143 K CA 1.915 58.121 56.287 -0.136 0.000 0.930 143 K CB -0.145 32.286 32.500 -0.116 0.000 0.716 143 K HN 0.241 nan 8.250 nan 0.000 0.444 144 T N 1.607 115.980 114.554 -0.302 0.000 2.737 144 T HA -0.072 4.279 4.350 0.001 0.000 0.265 144 T C 1.809 176.245 174.700 -0.440 0.000 1.038 144 T CA 0.899 62.774 62.100 -0.374 0.000 1.144 144 T CB -0.030 68.549 68.868 -0.481 0.000 0.866 144 T HN 0.061 nan 8.240 nan 0.000 0.434 145 I N 1.007 121.305 120.570 -0.453 0.000 2.202 145 I HA -0.085 4.085 4.170 0.001 0.000 0.242 145 I C 2.554 178.591 176.117 -0.133 0.000 1.091 145 I CA 1.075 62.197 61.300 -0.296 0.000 1.368 145 I CB -1.222 36.695 38.000 -0.138 0.000 1.058 145 I HN 0.118 nan 8.210 nan 0.000 0.410 146 V N 0.787 120.652 119.914 -0.081 0.000 2.343 146 V HA -0.259 3.862 4.120 0.001 0.000 0.247 146 V C 2.475 178.525 176.094 -0.073 0.000 1.051 146 V CA 1.663 63.943 62.300 -0.033 0.000 1.036 146 V CB -0.588 31.293 31.823 0.097 0.000 0.654 146 V HN 0.390 nan 8.190 nan 0.000 0.451 147 E N -0.179 119.973 120.200 -0.080 0.000 2.038 147 E HA -0.239 4.111 4.350 0.001 0.000 0.195 147 E C 2.468 179.026 176.600 -0.070 0.000 1.000 147 E CA 1.683 58.034 56.400 -0.081 0.000 0.803 147 E CB -0.318 29.339 29.700 -0.070 0.000 0.750 147 E HN 0.492 nan 8.360 nan 0.000 0.448 148 S N -0.072 115.597 115.700 -0.051 0.000 2.369 148 S HA -0.293 4.177 4.470 0.001 0.000 0.225 148 S C 2.063 176.660 174.600 -0.006 0.000 1.043 148 S CA 1.682 59.900 58.200 0.028 0.000 1.074 148 S CB -0.360 62.944 63.200 0.174 0.000 0.962 148 S HN 0.387 nan 8.310 nan 0.000 0.433 149 A N 0.190 122.982 122.820 -0.047 0.000 1.933 149 A HA -0.072 4.248 4.320 0.001 0.000 0.218 149 A C 2.375 179.871 177.584 -0.146 0.000 1.175 149 A CA 2.323 54.301 52.037 -0.098 0.000 0.628 149 A CB -1.576 17.335 19.000 -0.148 0.000 0.814 149 A HN 0.618 nan 8.150 nan 0.000 0.444 150 T N 0.496 114.952 114.554 -0.163 0.000 2.652 150 T HA -0.194 4.156 4.350 0.001 0.000 0.267 150 T C 1.770 176.432 174.700 -0.063 0.000 1.039 150 T CA 1.922 63.917 62.100 -0.174 0.000 1.153 150 T CB -0.580 68.082 68.868 -0.343 0.000 0.863 150 T HN 0.718 nan 8.240 nan 0.000 0.428 151 N N 0.889 119.567 118.700 -0.037 0.000 2.120 151 N HA -0.101 4.639 4.740 0.001 0.000 0.188 151 N C 1.859 177.403 175.510 0.056 0.000 1.024 151 N CA 0.967 54.047 53.050 0.050 0.000 0.852 151 N CB -0.151 38.367 38.487 0.052 0.000 1.003 151 N HN 0.245 nan 8.380 nan 0.000 0.424 152 N N 0.005 118.716 118.700 0.019 0.000 2.104 152 N HA -0.144 4.596 4.740 0.001 0.000 0.190 152 N C 2.028 177.557 175.510 0.031 0.000 1.024 152 N CA 1.739 54.804 53.050 0.024 0.000 0.853 152 N CB -0.822 37.669 38.487 0.006 0.000 1.008 152 N HN 0.405 nan 8.380 nan 0.000 0.424 153 T N -1.012 113.533 114.554 -0.016 0.000 2.942 153 T HA 0.018 4.369 4.350 0.001 0.000 0.265 153 T C 1.862 176.541 174.700 -0.036 0.000 1.062 153 T CA 0.367 62.453 62.100 -0.024 0.000 1.139 153 T CB -0.225 68.528 68.868 -0.191 0.000 0.883 153 T HN -0.073 nan 8.240 nan 0.000 0.468 154 L N 1.615 122.828 121.223 -0.016 0.000 2.079 154 L HA 0.106 4.446 4.340 0.001 0.000 0.210 154 L C 2.432 179.291 176.870 -0.019 0.000 1.081 154 L CA 1.792 56.595 54.840 -0.062 0.000 0.752 154 L CB -1.341 40.689 42.059 -0.050 0.000 0.896 154 L HN 0.518 nan 8.230 nan 0.000 0.433 155 E N -1.039 119.185 120.200 0.040 0.000 2.494 155 E HA -0.075 4.275 4.350 0.001 0.000 0.193 155 E C 1.712 178.380 176.600 0.114 0.000 1.074 155 E CA 0.545 56.977 56.400 0.053 0.000 0.867 155 E CB 0.294 30.042 29.700 0.080 0.000 0.924 155 E HN 0.489 nan 8.360 nan 0.000 0.502 156 S N -1.240 114.595 115.700 0.226 0.000 2.512 156 S HA 0.109 4.579 4.470 0.001 0.000 0.216 156 S C 1.013 175.877 174.600 0.441 0.000 1.006 156 S CA -0.453 57.932 58.200 0.309 0.000 0.915 156 S CB -0.109 63.298 63.200 0.345 0.000 0.824 156 S HN 0.243 nan 8.310 nan 0.000 0.497 157 F N 1.555 121.570 119.950 0.108 0.000 2.660 157 F HA 0.457 4.988 4.527 0.006 0.000 0.302 157 F C 2.219 177.956 175.800 -0.106 0.000 1.103 157 F CA -0.748 57.295 58.000 0.072 0.000 1.340 157 F CB 0.189 39.336 39.000 0.245 0.000 1.048 157 F HN 0.135 nan 8.300 nan 0.000 0.551 158 R N 0.925 121.451 120.500 0.044 0.000 2.073 158 R HA -0.128 4.213 4.340 0.001 0.000 0.234 158 R C 1.761 178.007 176.300 -0.090 0.000 1.134 158 R CA 1.562 57.631 56.100 -0.051 0.000 0.952 158 R CB 0.021 30.297 30.300 -0.040 0.000 0.850 158 R HN 0.098 nan 8.270 nan 0.000 0.433 159 E N -0.107 120.017 120.200 -0.127 0.000 2.478 159 E HA -0.027 4.323 4.350 0.001 0.000 0.194 159 E C -0.084 176.385 176.600 -0.218 0.000 1.045 159 E CA 0.473 56.786 56.400 -0.145 0.000 0.868 159 E CB 0.248 29.871 29.700 -0.129 0.000 0.885 159 E HN 0.393 nan 8.360 nan 0.000 0.505 160 N N 0.440 118.941 118.700 -0.332 0.000 2.541 160 N HA 0.110 4.851 4.740 0.001 0.000 0.297 160 N C 0.777 176.154 175.510 -0.222 0.000 1.503 160 N CA -0.050 52.726 53.050 -0.456 0.000 0.919 160 N CB 0.621 38.382 38.487 -1.210 0.000 1.305 160 N HN -0.040 nan 8.380 nan 0.000 0.501 161 L N -0.212 120.954 121.223 -0.094 0.000 2.109 161 L HA 0.106 4.446 4.340 0.001 0.000 0.207 161 L C 1.479 178.364 176.870 0.024 0.000 1.086 161 L CA 1.617 56.455 54.840 -0.004 0.000 0.760 161 L CB 0.017 42.054 42.059 -0.036 0.000 0.910 161 L HN 0.316 nan 8.230 nan 0.000 0.437 162 N N -1.055 117.641 118.700 -0.007 0.000 2.258 162 N HA 0.006 4.747 4.740 0.001 0.000 0.183 162 N C -0.113 175.418 175.510 0.036 0.000 1.029 162 N CA 0.790 53.848 53.050 0.012 0.000 0.857 162 N CB 0.167 38.650 38.487 -0.008 0.000 1.008 162 N HN 0.323 nan 8.380 nan 0.000 0.433 163 D N -1.233 119.173 120.400 0.011 0.000 2.497 163 D HA 0.337 4.977 4.640 0.001 0.000 0.243 163 D C -1.654 174.657 176.300 0.019 0.000 1.039 163 D CA -1.321 52.698 54.000 0.032 0.000 1.052 163 D CB 2.530 43.339 40.800 0.015 0.000 1.344 163 D HN -0.062 nan 8.370 nan 0.000 0.553 164 P HA 0.188 nan 4.420 nan 0.000 0.193 164 P C 0.006 177.390 177.300 0.139 0.000 1.120 164 P CA 0.329 63.496 63.100 0.111 0.000 0.880 164 P CB 0.627 32.385 31.700 0.097 0.000 0.728 165 E N -0.567 119.720 120.200 0.145 0.000 2.405 165 E HA 0.237 4.587 4.350 0.001 0.000 0.214 165 E C -0.670 175.919 176.600 -0.019 0.000 1.101 165 E CA -0.414 56.018 56.400 0.052 0.000 1.254 165 E CB -0.939 28.745 29.700 -0.028 0.000 1.240 165 E HN 0.292 nan 8.360 nan 0.000 0.439 166 F N 2.741 122.643 119.950 -0.080 0.000 2.626 166 F HA 0.051 4.577 4.527 -0.002 0.000 0.353 166 F C 0.972 176.890 175.800 0.197 0.000 1.230 166 F CA -0.592 57.331 58.000 -0.128 0.000 1.298 166 F CB 0.182 38.959 39.000 -0.373 0.000 1.670 166 F HN -0.023 nan 8.300 nan 0.000 0.633 167 D N 0.015 120.504 120.400 0.150 0.000 2.588 167 D HA 0.021 4.661 4.640 0.001 0.000 0.268 167 D C 1.210 177.182 176.300 -0.546 0.000 1.176 167 D CA -0.622 53.380 54.000 0.003 0.000 1.080 167 D CB 0.012 40.764 40.800 -0.079 0.000 1.186 167 D HN 0.339 nan 8.370 nan 0.000 0.619 168 Y N -1.134 118.674 120.300 -0.820 0.000 2.333 168 Y HA -0.075 4.476 4.550 0.001 0.000 0.290 168 Y C 1.789 177.666 175.900 -0.038 0.000 1.144 168 Y CA 1.256 58.892 58.100 -0.774 0.000 1.228 168 Y CB -0.851 37.511 38.460 -0.162 0.000 0.985 168 Y HN 0.247 nan 8.280 nan 0.000 0.542 169 N N 1.256 119.571 118.700 -0.641 0.000 2.135 169 N HA -0.188 4.553 4.740 0.001 0.000 0.186 169 N C 1.787 177.238 175.510 -0.099 0.000 1.027 169 N CA 1.387 54.227 53.050 -0.349 0.000 0.849 169 N CB -0.118 38.058 38.487 -0.519 0.000 1.002 169 N HN 0.407 nan 8.380 nan 0.000 0.425 170 K N 0.245 120.575 120.400 -0.115 0.000 2.057 170 K HA -0.122 4.198 4.320 0.001 0.000 0.207 170 K C 2.023 178.715 176.600 0.153 0.000 1.049 170 K CA 0.941 57.220 56.287 -0.014 0.000 0.931 170 K CB -0.590 31.841 32.500 -0.115 0.000 0.714 170 K HN 0.108 nan 8.250 nan 0.000 0.440 171 F N 0.209 120.149 119.950 -0.017 0.000 2.069 171 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 171 F C 1.560 177.230 175.800 -0.216 0.000 1.113 171 F CA 1.766 59.644 58.000 -0.204 0.000 1.214 171 F CB -0.660 38.067 39.000 -0.455 0.000 0.978 171 F HN 0.090 nan 8.300 nan 0.000 0.474 172 Y N 0.118 120.293 120.300 -0.207 0.000 2.293 172 Y HA -0.112 4.438 4.550 0.000 0.000 0.291 172 Y C 2.690 178.456 175.900 -0.224 0.000 1.137 172 Y CA 1.479 59.422 58.100 -0.261 0.000 1.202 172 Y CB -0.581 37.869 38.460 -0.016 0.000 0.990 172 Y HN -0.033 nan 8.280 nan 0.000 0.537 173 R N 0.454 120.952 120.500 -0.002 0.000 2.082 173 R HA -0.191 4.150 4.340 0.001 0.000 0.234 173 R C 2.147 178.387 176.300 -0.100 0.000 1.136 173 R CA 1.868 57.952 56.100 -0.027 0.000 0.935 173 R CB -0.258 30.046 30.300 0.005 0.000 0.842 173 R HN 0.321 nan 8.270 nan 0.000 0.430 174 K N -0.094 120.245 120.400 -0.103 0.000 2.057 174 K HA -0.124 4.196 4.320 0.001 0.000 0.206 174 K C 2.221 178.696 176.600 -0.208 0.000 1.050 174 K CA 0.870 57.104 56.287 -0.089 0.000 0.935 174 K CB -0.141 32.386 32.500 0.045 0.000 0.715 174 K HN 0.084 nan 8.250 nan 0.000 0.439 175 R N 0.679 120.938 120.500 -0.403 0.000 2.096 175 R HA -0.183 4.158 4.340 0.001 0.000 0.240 175 R C 2.314 178.394 176.300 -0.366 0.000 1.139 175 R CA 1.737 57.551 56.100 -0.477 0.000 0.952 175 R CB -0.170 29.639 30.300 -0.817 0.000 0.854 175 R HN 0.072 nan 8.270 nan 0.000 0.436 176 M N 1.362 120.744 119.600 -0.363 0.000 2.149 176 M HA -0.157 4.324 4.480 0.001 0.000 0.261 176 M C 1.425 177.377 176.300 -0.580 0.000 1.064 176 M CA 1.776 56.781 55.300 -0.491 0.000 1.102 176 M CB -0.129 32.138 32.600 -0.556 0.000 1.369 176 M HN 0.164 nan 8.290 nan 0.000 0.408 177 E N -0.479 119.487 120.200 -0.390 0.000 2.110 177 E HA -0.187 4.164 4.350 0.001 0.000 0.193 177 E C 1.944 178.508 176.600 -0.059 0.000 0.988 177 E CA 1.383 57.691 56.400 -0.154 0.000 0.804 177 E CB -0.223 29.469 29.700 -0.012 0.000 0.745 177 E HN 0.464 nan 8.360 nan 0.000 0.458 178 I N 0.952 121.453 120.570 -0.114 0.000 2.286 178 I HA -0.207 3.964 4.170 0.001 0.000 0.245 178 I C 2.439 178.498 176.117 -0.097 0.000 1.104 178 I CA 1.127 62.381 61.300 -0.077 0.000 1.397 178 I CB -0.816 37.127 38.000 -0.095 0.000 1.072 178 I HN 0.146 nan 8.210 nan 0.000 0.417 179 I N 0.263 120.705 120.570 -0.212 0.000 2.127 179 I HA -0.379 3.792 4.170 0.001 0.000 0.241 179 I C 2.770 178.747 176.117 -0.234 0.000 1.075 179 I CA 1.735 62.851 61.300 -0.307 0.000 1.334 179 I CB -0.636 36.981 38.000 -0.638 0.000 1.040 179 I HN 0.128 nan 8.210 nan 0.000 0.405 180 Y N 2.038 122.160 120.300 -0.295 0.000 2.114 180 Y HA -0.353 4.197 4.550 0.001 0.000 0.282 180 Y C 2.249 178.143 175.900 -0.010 0.000 1.165 180 Y CA 1.994 60.015 58.100 -0.131 0.000 1.148 180 Y CB -0.354 38.113 38.460 0.010 0.000 0.972 180 Y HN 0.222 nan 8.280 nan 0.000 0.504 181 D N -0.052 120.364 120.400 0.026 0.000 2.097 181 D HA -0.159 4.481 4.640 0.001 0.000 0.195 181 D C 2.075 178.393 176.300 0.030 0.000 0.989 181 D CA 1.621 55.635 54.000 0.023 0.000 0.827 181 D CB -0.189 40.666 40.800 0.090 0.000 0.966 181 D HN 0.408 nan 8.370 nan 0.000 0.456 182 K N 0.404 120.839 120.400 0.058 0.000 2.025 182 K HA -0.144 4.177 4.320 0.001 0.000 0.207 182 K C 2.201 178.960 176.600 0.266 0.000 1.049 182 K CA 0.790 57.190 56.287 0.188 0.000 0.933 182 K CB -0.118 32.496 32.500 0.190 0.000 0.714 182 K HN 0.125 nan 8.250 nan 0.000 0.438 183 Q N 1.526 121.390 119.800 0.107 0.000 2.030 183 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 183 Q C 2.130 178.150 176.000 0.032 0.000 0.986 183 Q CA 1.761 57.604 55.803 0.067 0.000 0.843 183 Q CB 0.042 28.580 28.738 -0.332 0.000 0.904 183 Q HN 0.134 nan 8.270 nan 0.000 0.420 184 K N -0.589 119.707 120.400 -0.174 0.000 2.103 184 K HA -0.243 4.077 4.320 0.001 0.000 0.207 184 K C 2.248 178.866 176.600 0.030 0.000 1.048 184 K CA 1.507 57.689 56.287 -0.174 0.000 0.930 184 K CB -0.302 31.974 32.500 -0.373 0.000 0.716 184 K HN 0.416 nan 8.250 nan 0.000 0.444 185 H N -0.441 118.666 119.070 0.062 0.000 2.387 185 H HA -0.185 4.371 4.556 0.001 0.000 0.299 185 H C 1.963 177.431 175.328 0.233 0.000 1.099 185 H CA 1.967 58.120 56.048 0.176 0.000 1.315 185 H CB -0.117 29.788 29.762 0.239 0.000 1.380 185 H HN 0.267 nan 8.280 nan 0.000 0.513 186 F N 1.281 121.322 119.950 0.152 0.000 2.084 186 F HA -0.138 4.389 4.527 0.000 0.000 0.296 186 F C 2.486 178.280 175.800 -0.011 0.000 1.111 186 F CA 1.320 59.211 58.000 -0.183 0.000 1.224 186 F CB -0.748 38.145 39.000 -0.177 0.000 0.991 186 F HN 0.043 nan 8.300 nan 0.000 0.471 187 I N 0.566 121.041 120.570 -0.158 0.000 2.248 187 I HA -0.343 3.828 4.170 0.001 0.000 0.248 187 I C 1.998 178.024 176.117 -0.152 0.000 1.107 187 I CA 1.623 62.813 61.300 -0.182 0.000 1.373 187 I CB -0.710 37.265 38.000 -0.042 0.000 1.055 187 I HN 0.167 nan 8.210 nan 0.000 0.418 188 D N 0.016 120.344 120.400 -0.120 0.000 2.117 188 D HA -0.222 4.418 4.640 0.001 0.000 0.197 188 D C 1.939 178.171 176.300 -0.114 0.000 0.987 188 D CA 1.347 55.287 54.000 -0.101 0.000 0.829 188 D CB -0.401 40.352 40.800 -0.078 0.000 0.961 188 D HN 0.378 nan 8.370 nan 0.000 0.460 189 Y N 0.543 120.691 120.300 -0.253 0.000 2.114 189 Y HA -0.317 4.233 4.550 0.001 0.000 0.284 189 Y C 2.373 178.150 175.900 -0.205 0.000 1.143 189 Y CA 1.541 59.533 58.100 -0.180 0.000 1.135 189 Y CB -0.767 37.657 38.460 -0.061 0.000 0.980 189 Y HN 0.011 nan 8.280 nan 0.000 0.499 190 Y N 1.373 121.336 120.300 -0.561 0.000 2.097 190 Y HA -0.252 4.298 4.550 0.001 0.000 0.282 190 Y C 2.239 177.925 175.900 -0.356 0.000 1.152 190 Y CA 2.341 60.105 58.100 -0.559 0.000 1.136 190 Y CB -0.507 37.506 38.460 -0.744 0.000 0.975 190 Y HN -0.036 nan 8.280 nan 0.000 0.498 191 K N 0.282 120.415 120.400 -0.446 0.000 2.063 191 K HA -0.172 4.148 4.320 0.001 0.000 0.208 191 K C 2.440 178.821 176.600 -0.365 0.000 1.048 191 K CA 1.637 57.667 56.287 -0.428 0.000 0.928 191 K CB -0.819 31.567 32.500 -0.191 0.000 0.713 191 K HN 0.575 nan 8.250 nan 0.000 0.442 192 S N 0.831 116.347 115.700 -0.307 0.000 2.406 192 S HA -0.092 4.378 4.470 0.001 0.000 0.228 192 S C 1.889 176.330 174.600 -0.266 0.000 1.020 192 S CA 0.511 58.569 58.200 -0.237 0.000 0.965 192 S CB -0.009 63.092 63.200 -0.165 0.000 0.798 192 S HN 0.161 nan 8.310 nan 0.000 0.488 193 Q N 1.487 121.054 119.800 -0.388 0.000 2.124 193 Q HA -0.023 4.317 4.340 0.001 0.000 0.202 193 Q C 2.368 178.263 176.000 -0.176 0.000 0.977 193 Q CA 1.649 57.289 55.803 -0.272 0.000 0.850 193 Q CB -0.611 27.905 28.738 -0.371 0.000 0.901 193 Q HN 0.958 nan 8.270 nan 0.000 0.429 194 I N -1.375 119.005 120.570 -0.317 0.000 2.876 194 I HA -0.081 4.090 4.170 0.001 0.000 0.264 194 I C 2.164 178.164 176.117 -0.195 0.000 1.204 194 I CA 1.104 62.245 61.300 -0.264 0.000 1.485 194 I CB -0.437 37.314 38.000 -0.416 0.000 1.103 194 I HN 0.079 nan 8.210 nan 0.000 0.446 195 E N 1.881 121.966 120.200 -0.192 0.000 2.158 195 E HA -0.218 4.132 4.350 0.001 0.000 0.191 195 E C 1.915 178.442 176.600 -0.122 0.000 0.982 195 E CA 0.900 57.215 56.400 -0.141 0.000 0.823 195 E CB -0.300 29.323 29.700 -0.128 0.000 0.766 195 E HN 0.745 nan 8.360 nan 0.000 0.468 196 E N 1.110 121.234 120.200 -0.126 0.000 2.016 196 E HA -0.087 4.263 4.350 0.001 0.000 0.190 196 E C -0.290 176.212 176.600 -0.163 0.000 0.985 196 E CA 1.021 57.351 56.400 -0.116 0.000 0.802 196 E CB 0.232 29.881 29.700 -0.085 0.000 0.762 196 E HN 0.243 nan 8.360 nan 0.000 0.448 197 N N 0.814 119.390 118.700 -0.207 0.000 2.573 197 N HA 0.182 4.923 4.740 0.001 0.000 0.262 197 N C -2.375 173.000 175.510 -0.226 0.000 1.029 197 N CA -1.445 51.397 53.050 -0.348 0.000 0.882 197 N CB 1.668 39.625 38.487 -0.883 0.000 1.204 197 N HN -0.012 nan 8.380 nan 0.000 0.519 198 P HA -0.054 nan 4.420 nan 0.000 0.223 198 P C 0.599 177.868 177.300 -0.051 0.000 1.151 198 P CA 0.927 63.971 63.100 -0.093 0.000 0.787 198 P CB 0.565 32.215 31.700 -0.084 0.000 0.788 199 E N -1.574 118.570 120.200 -0.093 0.000 2.216 199 E HA -0.017 4.333 4.350 0.001 0.000 0.192 199 E C 0.115 176.774 176.600 0.098 0.000 0.988 199 E CA -0.045 56.339 56.400 -0.028 0.000 0.834 199 E CB -0.220 29.439 29.700 -0.067 0.000 0.772 199 E HN 0.120 nan 8.360 nan 0.000 0.479 200 F N 1.619 121.575 119.950 0.010 0.000 2.612 200 F HA -0.023 4.504 4.527 0.001 0.000 0.389 200 F C 0.842 176.678 175.800 0.059 0.000 1.055 200 F CA -0.552 57.468 58.000 0.032 0.000 1.232 200 F CB -0.317 38.692 39.000 0.015 0.000 1.044 200 F HN -0.044 nan 8.300 nan 0.000 0.560 201 I N 2.431 123.168 120.570 0.279 0.000 2.532 201 I HA 0.297 4.468 4.170 0.001 0.000 0.292 201 I C 1.043 177.269 176.117 0.182 0.000 1.014 201 I CA -0.621 60.793 61.300 0.190 0.000 1.340 201 I CB 0.776 38.865 38.000 0.149 0.000 1.422 201 I HN 0.600 nan 8.210 nan 0.000 0.528 202 I N 2.514 123.196 120.570 0.186 0.000 2.091 202 I HA -0.309 3.862 4.170 0.001 0.000 0.240 202 I C 1.842 178.058 176.117 0.165 0.000 1.046 202 I CA 1.923 63.341 61.300 0.197 0.000 1.306 202 I CB -0.524 37.559 38.000 0.138 0.000 1.018 202 I HN 0.755 nan 8.210 nan 0.000 0.404 203 D N 0.395 120.871 120.400 0.127 0.000 2.123 203 D HA -0.215 4.426 4.640 0.001 0.000 0.196 203 D C 1.883 178.252 176.300 0.116 0.000 0.992 203 D CA 1.442 55.517 54.000 0.126 0.000 0.833 203 D CB -0.545 40.346 40.800 0.152 0.000 0.954 203 D HN 0.305 nan 8.370 nan 0.000 0.455 204 N N 0.621 119.374 118.700 0.088 0.000 2.104 204 N HA -0.115 4.626 4.740 0.001 0.000 0.190 204 N C 1.893 177.411 175.510 0.012 0.000 1.024 204 N CA 0.817 53.875 53.050 0.014 0.000 0.853 204 N CB -0.310 38.133 38.487 -0.073 0.000 1.008 204 N HN 0.185 nan 8.380 nan 0.000 0.424 205 I N 0.106 120.717 120.570 0.068 0.000 2.163 205 I HA -0.271 3.899 4.170 0.001 0.000 0.243 205 I C 1.671 178.020 176.117 0.386 0.000 1.085 205 I CA 0.628 62.065 61.300 0.228 0.000 1.347 205 I CB -0.304 37.867 38.000 0.286 0.000 1.044 205 I HN 0.163 nan 8.210 nan 0.000 0.408 206 I N 1.539 122.285 120.570 0.294 0.000 2.113 206 I HA -0.294 3.876 4.170 0.001 0.000 0.238 206 I C 2.614 178.851 176.117 0.200 0.000 1.070 206 I CA 1.819 63.259 61.300 0.233 0.000 1.332 206 I CB -1.531 36.495 38.000 0.043 0.000 1.044 206 I HN 0.394 nan 8.210 nan 0.000 0.402 207 K N 0.392 120.872 120.400 0.134 0.000 2.097 207 K HA -0.131 4.190 4.320 0.001 0.000 0.206 207 K C 1.861 178.520 176.600 0.099 0.000 1.049 207 K CA 1.848 58.191 56.287 0.094 0.000 0.933 207 K CB -0.927 31.616 32.500 0.072 0.000 0.717 207 K HN 0.218 nan 8.250 nan 0.000 0.442 208 T N 0.729 115.358 114.554 0.125 0.000 2.708 208 T HA -0.201 4.149 4.350 0.001 0.000 0.266 208 T C 1.573 176.326 174.700 0.088 0.000 1.037 208 T CA 1.536 63.700 62.100 0.107 0.000 1.146 208 T CB -0.488 68.468 68.868 0.147 0.000 0.865 208 T HN 0.374 nan 8.240 nan 0.000 0.435 209 Y N 1.491 121.803 120.300 0.020 0.000 2.181 209 Y HA -0.016 4.534 4.550 0.000 0.000 0.288 209 Y C 2.074 177.997 175.900 0.038 0.000 1.146 209 Y CA 1.087 59.143 58.100 -0.074 0.000 1.164 209 Y CB -0.375 38.132 38.460 0.078 0.000 0.982 209 Y HN 0.096 nan 8.280 nan 0.000 0.515 210 L N -1.033 120.309 121.223 0.198 0.000 2.131 210 L HA -0.218 4.123 4.340 0.001 0.000 0.210 210 L C 2.754 179.651 176.870 0.045 0.000 1.092 210 L CA 1.599 56.511 54.840 0.120 0.000 0.759 210 L CB -0.673 41.414 42.059 0.048 0.000 0.903 210 L HN 0.248 nan 8.230 nan 0.000 0.435 211 S N -0.089 115.618 115.700 0.012 0.000 2.377 211 S HA -0.107 4.364 4.470 0.001 0.000 0.223 211 S C 1.789 176.352 174.600 -0.063 0.000 1.030 211 S CA 1.128 59.319 58.200 -0.015 0.000 0.970 211 S CB -0.069 63.131 63.200 -0.001 0.000 0.830 211 S HN 0.409 nan 8.310 nan 0.000 0.473 212 N N 1.116 119.749 118.700 -0.110 0.000 2.216 212 N HA 0.040 4.780 4.740 0.001 0.000 0.183 212 N C 1.646 177.006 175.510 -0.251 0.000 1.017 212 N CA 1.089 54.039 53.050 -0.166 0.000 0.861 212 N CB -0.181 38.191 38.487 -0.192 0.000 0.986 212 N HN 0.521 nan 8.380 nan 0.000 0.428 213 E N -1.014 118.973 120.200 -0.355 0.000 2.290 213 E HA 0.087 4.438 4.350 0.001 0.000 0.197 213 E C 0.361 176.601 176.600 -0.600 0.000 0.948 213 E CA 0.428 56.508 56.400 -0.533 0.000 0.895 213 E CB 0.149 29.355 29.700 -0.824 0.000 0.865 213 E HN 0.430 nan 8.360 nan 0.000 0.486 214 Y N 0.673 120.856 120.300 -0.195 0.000 2.696 214 Y HA 0.165 4.715 4.550 0.000 0.000 0.260 214 Y C 0.242 176.083 175.900 -0.099 0.000 1.165 214 Y CA -0.289 57.735 58.100 -0.127 0.000 1.189 214 Y CB 0.540 38.937 38.460 -0.106 0.000 1.180 214 Y HN -0.175 nan 8.280 nan 0.000 0.538 215 S N 0.425 116.112 115.700 -0.022 0.000 3.549 215 S HA -0.195 4.275 4.470 0.001 0.000 0.366 215 S C 0.088 174.686 174.600 -0.003 0.000 1.012 215 S CA 0.520 58.705 58.200 -0.025 0.000 1.141 215 S CB -1.120 62.058 63.200 -0.037 0.000 0.910 215 S HN 0.281 nan 8.310 nan 0.000 0.471 216 K N 1.573 121.978 120.400 0.009 0.000 2.185 216 K HA 0.262 4.582 4.320 0.001 0.000 0.271 216 K C 0.049 176.646 176.600 -0.006 0.000 1.013 216 K CA -0.531 55.755 56.287 -0.001 0.000 0.943 216 K CB 0.500 32.998 32.500 -0.005 0.000 0.998 216 K HN 0.219 nan 8.250 nan 0.000 0.468 217 D N 2.448 122.843 120.400 -0.009 0.000 2.336 217 D HA 0.084 4.724 4.640 0.001 0.000 0.249 217 D C 1.178 177.481 176.300 0.005 0.000 1.213 217 D CA -0.029 53.969 54.000 -0.004 0.000 0.870 217 D CB 0.533 41.330 40.800 -0.006 0.000 1.076 217 D HN 0.332 nan 8.370 nan 0.000 0.483 218 L N 2.956 124.186 121.223 0.011 0.000 2.042 218 L HA -0.193 4.148 4.340 0.001 0.000 0.210 218 L C 1.937 178.823 176.870 0.028 0.000 1.076 218 L CA 1.196 56.049 54.840 0.022 0.000 0.749 218 L CB -0.130 41.943 42.059 0.022 0.000 0.893 218 L HN 0.407 nan 8.230 nan 0.000 0.432 219 E N -0.145 120.069 120.200 0.022 0.000 2.110 219 E HA -0.186 4.165 4.350 0.001 0.000 0.193 219 E C 2.183 178.801 176.600 0.030 0.000 0.988 219 E CA 1.321 57.736 56.400 0.025 0.000 0.804 219 E CB -0.238 29.472 29.700 0.017 0.000 0.745 219 E HN 0.473 nan 8.360 nan 0.000 0.458 220 A N 0.082 122.917 122.820 0.026 0.000 1.930 220 A HA -0.056 4.265 4.320 0.001 0.000 0.215 220 A C 2.120 179.738 177.584 0.058 0.000 1.176 220 A CA 0.748 52.805 52.037 0.032 0.000 0.632 220 A CB -0.491 18.516 19.000 0.011 0.000 0.819 220 A HN 0.186 nan 8.150 nan 0.000 0.445 221 L N -0.139 121.112 121.223 0.046 0.000 2.017 221 L HA -0.218 4.123 4.340 0.001 0.000 0.208 221 L C 2.357 179.299 176.870 0.120 0.000 1.073 221 L CA 1.345 56.227 54.840 0.071 0.000 0.745 221 L CB -0.701 41.385 42.059 0.044 0.000 0.894 221 L HN 0.325 nan 8.230 nan 0.000 0.432 222 N N 0.173 118.924 118.700 0.086 0.000 2.120 222 N HA -0.208 4.532 4.740 0.001 0.000 0.188 222 N C 1.782 177.332 175.510 0.067 0.000 1.024 222 N CA 1.230 54.328 53.050 0.080 0.000 0.852 222 N CB -0.183 38.340 38.487 0.059 0.000 1.003 222 N HN 0.296 nan 8.380 nan 0.000 0.424 223 K N -0.196 120.240 120.400 0.060 0.000 2.026 223 K HA -0.189 4.131 4.320 0.001 0.000 0.208 223 K C 2.076 178.693 176.600 0.029 0.000 1.048 223 K CA 1.032 57.340 56.287 0.035 0.000 0.929 223 K CB -0.302 32.219 32.500 0.034 0.000 0.713 223 K HN 0.143 nan 8.250 nan 0.000 0.439 224 Y N 1.486 121.761 120.300 -0.041 0.000 2.151 224 Y HA -0.253 4.297 4.550 0.001 0.000 0.284 224 Y C 1.863 177.691 175.900 -0.119 0.000 1.166 224 Y CA 1.827 59.887 58.100 -0.066 0.000 1.163 224 Y CB -0.168 38.268 38.460 -0.040 0.000 0.974 224 Y HN 0.053 nan 8.280 nan 0.000 0.511 225 I N 0.164 120.734 120.570 0.000 0.000 2.179 225 I HA -0.309 3.862 4.170 0.001 0.000 0.242 225 I C 2.595 178.565 176.117 -0.245 0.000 1.088 225 I CA 1.922 63.169 61.300 -0.087 0.000 1.357 225 I CB -0.488 37.614 38.000 0.169 0.000 1.051 225 I HN 0.354 nan 8.210 nan 0.000 0.409 226 E N 1.275 121.401 120.200 -0.123 0.000 2.058 226 E HA -0.277 4.073 4.350 0.001 0.000 0.194 226 E C 1.954 178.426 176.600 -0.214 0.000 0.997 226 E CA 1.641 57.971 56.400 -0.116 0.000 0.801 226 E CB -0.048 29.621 29.700 -0.053 0.000 0.746 226 E HN 0.520 nan 8.360 nan 0.000 0.450 227 E N -0.008 120.036 120.200 -0.259 0.000 2.204 227 E HA -0.094 4.257 4.350 0.001 0.000 0.194 227 E C 2.222 178.563 176.600 -0.432 0.000 0.989 227 E CA 0.982 57.209 56.400 -0.288 0.000 0.824 227 E CB 0.118 29.673 29.700 -0.241 0.000 0.756 227 E HN 0.183 nan 8.360 nan 0.000 0.477 228 S N 1.189 116.480 115.700 -0.682 0.000 2.357 228 S HA -0.105 4.365 4.470 0.001 0.000 0.221 228 S C 1.935 176.036 174.600 -0.832 0.000 1.031 228 S CA 0.447 58.109 58.200 -0.897 0.000 0.982 228 S CB -0.173 62.187 63.200 -1.401 0.000 0.853 228 S HN 0.128 nan 8.310 nan 0.000 0.458 229 L N 3.041 123.802 121.223 -0.770 0.000 2.012 229 L HA -0.120 4.220 4.340 0.001 0.000 0.210 229 L C 1.652 178.391 176.870 -0.218 0.000 1.073 229 L CA 1.768 56.426 54.840 -0.305 0.000 0.748 229 L CB -0.857 41.194 42.059 -0.013 0.000 0.891 229 L HN 0.145 nan 8.230 nan 0.000 0.431 230 N N -0.205 118.372 118.700 -0.205 0.000 2.166 230 N HA -0.204 4.536 4.740 0.001 0.000 0.186 230 N C 1.819 177.234 175.510 -0.157 0.000 1.019 230 N CA 1.315 54.280 53.050 -0.142 0.000 0.856 230 N CB -0.277 38.140 38.487 -0.116 0.000 0.993 230 N HN 0.455 nan 8.380 nan 0.000 0.426 231 K N 0.458 120.732 120.400 -0.211 0.000 2.025 231 K HA -0.060 4.261 4.320 0.001 0.000 0.207 231 K C 1.919 178.408 176.600 -0.185 0.000 1.049 231 K CA 0.774 56.948 56.287 -0.190 0.000 0.933 231 K CB -0.161 32.211 32.500 -0.215 0.000 0.714 231 K HN -0.016 nan 8.250 nan 0.000 0.438 232 I N 1.179 121.601 120.570 -0.247 0.000 2.315 232 I HA -0.211 3.960 4.170 0.001 0.000 0.248 232 I C 1.857 177.855 176.117 -0.200 0.000 1.117 232 I CA 1.656 62.797 61.300 -0.264 0.000 1.404 232 I CB -0.404 37.301 38.000 -0.492 0.000 1.071 232 I HN 0.154 nan 8.210 nan 0.000 0.419 233 T N 0.759 115.206 114.554 -0.178 0.000 2.746 233 T HA -0.150 4.200 4.350 0.001 0.000 0.267 233 T C 1.904 176.574 174.700 -0.050 0.000 1.039 233 T CA 1.485 63.543 62.100 -0.069 0.000 1.142 233 T CB -0.503 68.344 68.868 -0.035 0.000 0.866 233 T HN 0.509 nan 8.240 nan 0.000 0.444 234 A N 1.752 124.530 122.820 -0.071 0.000 2.070 234 A HA -0.041 4.279 4.320 0.001 0.000 0.220 234 A C 1.893 179.447 177.584 -0.050 0.000 1.159 234 A CA 1.030 53.034 52.037 -0.055 0.000 0.656 234 A CB -0.288 18.674 19.000 -0.064 0.000 0.800 234 A HN 0.429 nan 8.150 nan 0.000 0.453 235 N N 0.410 119.072 118.700 -0.063 0.000 2.295 235 N HA 0.019 4.759 4.740 0.001 0.000 0.221 235 N C -0.742 174.747 175.510 -0.034 0.000 1.129 235 N CA 0.256 53.273 53.050 -0.055 0.000 0.836 235 N CB -0.261 38.181 38.487 -0.076 0.000 1.040 235 N HN 0.579 nan 8.380 nan 0.000 0.494 236 N N -0.010 118.679 118.700 -0.018 0.000 2.714 236 N HA -0.176 4.564 4.740 0.001 0.000 0.252 236 N C 0.540 176.059 175.510 0.015 0.000 1.014 236 N CA 0.381 53.434 53.050 0.004 0.000 0.735 236 N CB -1.080 37.409 38.487 0.005 0.000 0.924 236 N HN 0.292 nan 8.380 nan 0.000 0.540 237 G N 0.131 108.952 108.800 0.034 0.000 2.684 237 G HA2 0.253 4.213 3.960 0.001 0.000 0.255 237 G HA3 0.253 4.213 3.960 0.001 0.000 0.255 237 G C -0.118 174.907 174.900 0.209 0.000 1.219 237 G CA -0.454 44.713 45.100 0.112 0.000 0.901 237 G HN 0.361 nan 8.290 nan 0.000 0.548 238 N N 0.672 119.482 118.700 0.182 0.000 2.448 238 N HA 0.137 4.877 4.740 0.001 0.000 0.279 238 N C -1.566 173.873 175.510 -0.118 0.000 1.025 238 N CA -0.578 52.465 53.050 -0.012 0.000 0.898 238 N CB 2.267 40.528 38.487 -0.377 0.000 1.303 238 N HN 0.419 nan 8.380 nan 0.000 0.495 239 D N 2.221 122.455 120.400 -0.277 0.000 2.348 239 D HA 0.094 4.734 4.640 0.001 0.000 0.253 239 D C 1.505 177.629 176.300 -0.293 0.000 1.161 239 D CA -0.444 53.146 54.000 -0.683 0.000 0.876 239 D CB 1.053 41.588 40.800 -0.442 0.000 1.160 239 D HN 0.550 nan 8.370 nan 0.000 0.459 240 I N 1.443 121.830 120.570 -0.306 0.000 3.001 240 I HA -0.013 4.157 4.170 0.001 0.000 0.268 240 I C 1.450 177.516 176.117 -0.086 0.000 1.267 240 I CA 0.336 61.479 61.300 -0.262 0.000 1.472 240 I CB 0.016 37.756 38.000 -0.433 0.000 1.089 240 I HN 0.043 nan 8.210 nan 0.000 0.468 241 R N 1.976 122.414 120.500 -0.102 0.000 2.328 241 R HA 0.076 4.417 4.340 0.001 0.000 0.200 241 R C 0.876 177.183 176.300 0.012 0.000 0.983 241 R CA 0.286 56.375 56.100 -0.018 0.000 1.062 241 R CB -0.800 29.477 30.300 -0.039 0.000 0.956 241 R HN 0.652 nan 8.270 nan 0.000 0.479 242 N N 0.058 118.763 118.700 0.008 0.000 2.420 242 N HA -0.007 4.734 4.740 0.001 0.000 0.185 242 N C 0.463 176.019 175.510 0.076 0.000 1.033 242 N CA 0.204 53.276 53.050 0.036 0.000 0.879 242 N CB 0.029 38.531 38.487 0.025 0.000 1.071 242 N HN -0.004 nan 8.380 nan 0.000 0.437 243 L N 1.868 123.157 121.223 0.109 0.000 2.418 243 L HA 0.124 4.464 4.340 0.001 0.000 0.265 243 L C 1.388 178.427 176.870 0.282 0.000 1.143 243 L CA 0.378 55.312 54.840 0.158 0.000 0.809 243 L CB 0.786 42.910 42.059 0.107 0.000 1.124 243 L HN 0.332 nan 8.230 nan 0.000 0.456 244 E N -0.041 120.258 120.200 0.165 0.000 2.541 244 E HA 0.077 4.427 4.350 0.001 0.000 0.219 244 E C 1.196 177.779 176.600 -0.028 0.000 0.922 244 E CA -0.147 56.276 56.400 0.038 0.000 1.095 244 E CB 0.218 29.923 29.700 0.009 0.000 1.112 244 E HN 0.524 nan 8.360 nan 0.000 0.516 245 K N 1.161 121.592 120.400 0.050 0.000 2.098 245 K HA -0.030 4.290 4.320 0.001 0.000 0.203 245 K C 1.821 178.410 176.600 -0.019 0.000 1.051 245 K CA 0.982 57.274 56.287 0.009 0.000 0.957 245 K CB -0.155 32.367 32.500 0.038 0.000 0.738 245 K HN 0.219 nan 8.250 nan 0.000 0.447 246 F N 0.982 120.876 119.950 -0.093 0.000 2.411 246 F HA 0.016 4.543 4.527 0.001 0.000 0.299 246 F C 0.813 176.528 175.800 -0.141 0.000 1.077 246 F CA 0.529 58.449 58.000 -0.134 0.000 1.439 246 F CB -0.587 38.294 39.000 -0.198 0.000 1.085 246 F HN -0.123 nan 8.300 nan 0.000 0.564 247 A N 1.283 123.526 122.820 -0.962 0.000 3.074 247 A HA 0.123 4.443 4.320 0.001 0.000 0.251 247 A C -0.302 177.019 177.584 -0.438 0.000 1.695 247 A CA -0.135 51.335 52.037 -0.946 0.000 1.343 247 A CB -1.623 16.922 19.000 -0.758 0.000 1.078 247 A HN 0.463 nan 8.150 nan 0.000 0.644 248 D N 0.215 120.413 120.400 -0.336 0.000 2.371 248 D HA 0.096 4.737 4.640 0.001 0.000 0.256 248 D C 1.097 177.282 176.300 -0.192 0.000 1.193 248 D CA 0.040 53.918 54.000 -0.203 0.000 0.881 248 D CB 0.766 41.477 40.800 -0.149 0.000 1.143 248 D HN 0.304 nan 8.370 nan 0.000 0.473 249 E N 2.636 122.747 120.200 -0.149 0.000 2.204 249 E HA -0.128 4.223 4.350 0.001 0.000 0.194 249 E C 0.878 177.417 176.600 -0.102 0.000 0.989 249 E CA 0.738 57.062 56.400 -0.127 0.000 0.824 249 E CB 0.163 29.803 29.700 -0.100 0.000 0.756 249 E HN 0.616 nan 8.360 nan 0.000 0.477 250 D N 0.245 120.589 120.400 -0.094 0.000 2.149 250 D HA -0.075 4.565 4.640 0.001 0.000 0.201 250 D C 2.142 178.381 176.300 -0.102 0.000 0.972 250 D CA 0.349 54.298 54.000 -0.085 0.000 0.835 250 D CB -0.053 40.703 40.800 -0.073 0.000 0.966 250 D HN 0.185 nan 8.370 nan 0.000 0.476 251 L N 0.602 121.758 121.223 -0.113 0.000 2.083 251 L HA -0.138 4.203 4.340 0.001 0.000 0.209 251 L C 2.498 179.321 176.870 -0.077 0.000 1.083 251 L CA 0.619 55.392 54.840 -0.112 0.000 0.752 251 L CB -0.228 41.764 42.059 -0.111 0.000 0.899 251 L HN -0.055 nan 8.230 nan 0.000 0.433 252 V N -0.100 119.751 119.914 -0.106 0.000 2.287 252 V HA -0.346 3.774 4.120 0.001 0.000 0.248 252 V C 2.652 178.765 176.094 0.030 0.000 1.053 252 V CA 2.113 64.380 62.300 -0.054 0.000 1.027 252 V CB -0.702 31.039 31.823 -0.137 0.000 0.646 252 V HN 0.486 nan 8.190 nan 0.000 0.447 253 R N -0.091 120.394 120.500 -0.024 0.000 2.094 253 R HA -0.191 4.149 4.340 0.001 0.000 0.239 253 R C 2.317 178.591 176.300 -0.043 0.000 1.137 253 R CA 2.027 58.115 56.100 -0.019 0.000 0.943 253 R CB -0.409 29.868 30.300 -0.038 0.000 0.850 253 R HN 0.469 nan 8.270 nan 0.000 0.433 254 L N -0.483 120.673 121.223 -0.113 0.000 2.012 254 L HA -0.230 4.110 4.340 0.001 0.000 0.210 254 L C 2.538 179.320 176.870 -0.147 0.000 1.073 254 L CA 1.652 56.343 54.840 -0.248 0.000 0.748 254 L CB -0.852 40.926 42.059 -0.469 0.000 0.891 254 L HN 0.312 nan 8.230 nan 0.000 0.431 255 Y N 1.251 121.459 120.300 -0.153 0.000 2.151 255 Y HA -0.306 4.244 4.550 0.001 0.000 0.284 255 Y C 2.504 178.376 175.900 -0.046 0.000 1.166 255 Y CA 1.846 59.896 58.100 -0.083 0.000 1.163 255 Y CB -0.299 38.135 38.460 -0.044 0.000 0.974 255 Y HN 0.221 nan 8.280 nan 0.000 0.511 256 N N 0.037 118.693 118.700 -0.073 0.000 2.250 256 N HA -0.177 4.564 4.740 0.001 0.000 0.181 256 N C 1.930 177.368 175.510 -0.119 0.000 1.017 256 N CA 1.216 54.196 53.050 -0.117 0.000 0.866 256 N CB -0.391 38.133 38.487 0.061 0.000 0.985 256 N HN 0.613 nan 8.380 nan 0.000 0.429 257 Q N 1.187 120.948 119.800 -0.066 0.000 2.061 257 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 257 Q C 1.220 177.190 176.000 -0.050 0.000 0.984 257 Q CA 1.361 57.147 55.803 -0.030 0.000 0.846 257 Q CB 0.133 28.877 28.738 0.010 0.000 0.902 257 Q HN 0.184 nan 8.270 nan 0.000 0.421 258 E N 0.364 120.515 120.200 -0.081 0.000 2.152 258 E HA -0.140 4.210 4.350 0.001 0.000 0.192 258 E C 2.019 178.541 176.600 -0.131 0.000 0.983 258 E CA 0.610 56.970 56.400 -0.067 0.000 0.818 258 E CB -0.148 29.530 29.700 -0.037 0.000 0.758 258 E HN 0.347 nan 8.360 nan 0.000 0.467 259 L N 0.118 121.191 121.223 -0.250 0.000 2.007 259 L HA -0.106 4.235 4.340 0.001 0.000 0.205 259 L C 2.136 178.975 176.870 -0.052 0.000 1.073 259 L CA 1.307 55.992 54.840 -0.258 0.000 0.744 259 L CB -0.147 41.588 42.059 -0.539 0.000 0.898 259 L HN -0.112 nan 8.230 nan 0.000 0.435 260 V N -1.140 118.729 119.914 -0.075 0.000 2.949 260 V HA 0.023 4.143 4.120 0.001 0.000 0.245 260 V C 2.151 178.331 176.094 0.143 0.000 1.086 260 V CA 1.129 63.425 62.300 -0.007 0.000 1.097 260 V CB -0.233 31.379 31.823 -0.353 0.000 0.762 260 V HN 0.408 nan 8.190 nan 0.000 0.470 261 E N 0.234 120.403 120.200 -0.053 0.000 2.079 261 E HA 0.008 4.358 4.350 0.001 0.000 0.191 261 E C 2.216 178.509 176.600 -0.511 0.000 0.961 261 E CA 0.412 56.717 56.400 -0.157 0.000 0.823 261 E CB 0.024 29.674 29.700 -0.083 0.000 0.789 261 E HN 0.310 nan 8.360 nan 0.000 0.459 262 R N -0.127 120.169 120.500 -0.340 0.000 2.254 262 R HA -0.009 4.332 4.340 0.001 0.000 0.195 262 R C -0.007 176.105 176.300 -0.315 0.000 0.957 262 R CA 0.081 55.944 56.100 -0.395 0.000 1.024 262 R CB -0.217 29.942 30.300 -0.234 0.000 0.952 262 R HN 0.300 nan 8.270 nan 0.000 0.484 263 W N 0.607 121.845 121.300 -0.102 0.000 4.551 263 W HA -0.222 4.438 4.660 0.000 0.000 0.343 263 W C -0.117 176.306 176.519 -0.160 0.000 1.269 263 W CA -0.093 57.174 57.345 -0.131 0.000 0.799 263 W CB -2.907 26.496 29.460 -0.094 0.000 2.352 263 W HN 0.120 nan 8.180 nan 0.000 1.462 264 N N 1.666 120.361 118.700 -0.007 0.000 2.589 264 N HA 0.251 4.992 4.740 0.001 0.000 0.232 264 N C 0.737 176.210 175.510 -0.061 0.000 1.015 264 N CA -0.251 52.759 53.050 -0.066 0.000 0.931 264 N CB 0.486 38.908 38.487 -0.108 0.000 1.150 264 N HN -0.166 nan 8.380 nan 0.000 0.512 265 L N 2.174 123.352 121.223 -0.075 0.000 2.240 265 L HA 0.097 4.437 4.340 0.001 0.000 0.211 265 L C 2.166 178.989 176.870 -0.078 0.000 1.106 265 L CA 0.883 55.657 54.840 -0.110 0.000 0.793 265 L CB -1.728 40.215 42.059 -0.194 0.000 0.927 265 L HN 0.551 nan 8.230 nan 0.000 0.446 266 A N 0.334 123.126 122.820 -0.048 0.000 1.883 266 A HA -0.167 4.154 4.320 0.001 0.000 0.217 266 A C 2.562 180.160 177.584 0.023 0.000 1.186 266 A CA 1.954 53.991 52.037 0.000 0.000 0.624 266 A CB -0.639 18.368 19.000 0.012 0.000 0.822 266 A HN 0.362 nan 8.150 nan 0.000 0.444 267 A N -0.280 122.554 122.820 0.024 0.000 1.902 267 A HA 0.165 4.485 4.320 0.001 0.000 0.217 267 A C 2.524 180.142 177.584 0.058 0.000 1.181 267 A CA 2.188 54.265 52.037 0.067 0.000 0.623 267 A CB -1.059 18.001 19.000 0.099 0.000 0.818 267 A HN 1.092 nan 8.150 nan 0.000 0.443 268 A N -0.778 122.048 122.820 0.011 0.000 1.902 268 A HA -0.110 4.210 4.320 0.001 0.000 0.217 268 A C 2.496 180.184 177.584 0.173 0.000 1.181 268 A CA 2.209 54.263 52.037 0.029 0.000 0.623 268 A CB -0.993 17.886 19.000 -0.201 0.000 0.818 268 A HN 0.607 nan 8.150 nan 0.000 0.443 269 S N -0.310 115.446 115.700 0.093 0.000 2.368 269 S HA -0.206 4.264 4.470 0.001 0.000 0.225 269 S C 1.703 176.297 174.600 -0.009 0.000 1.030 269 S CA 1.730 59.970 58.200 0.067 0.000 0.999 269 S CB -0.576 62.665 63.200 0.069 0.000 0.844 269 S HN 0.544 nan 8.310 nan 0.000 0.459 270 D N 1.213 121.621 120.400 0.013 0.000 2.116 270 D HA -0.104 4.537 4.640 0.001 0.000 0.193 270 D C 1.834 178.132 176.300 -0.002 0.000 0.998 270 D CA 1.468 55.471 54.000 0.006 0.000 0.836 270 D CB -0.386 40.456 40.800 0.071 0.000 0.951 270 D HN 0.495 nan 8.370 nan 0.000 0.449 271 I N -0.032 120.558 120.570 0.035 0.000 2.286 271 I HA -0.192 3.979 4.170 0.001 0.000 0.245 271 I C 2.295 178.402 176.117 -0.017 0.000 1.104 271 I CA 0.338 61.650 61.300 0.020 0.000 1.397 271 I CB -0.029 38.002 38.000 0.051 0.000 1.072 271 I HN -0.003 nan 8.210 nan 0.000 0.417 272 L N 1.691 122.905 121.223 -0.015 0.000 2.156 272 L HA -0.149 4.191 4.340 0.001 0.000 0.208 272 L C 2.759 179.503 176.870 -0.210 0.000 1.095 272 L CA 1.515 56.274 54.840 -0.134 0.000 0.770 272 L CB -0.604 41.354 42.059 -0.168 0.000 0.914 272 L HN 0.185 nan 8.230 nan 0.000 0.439 273 R N -0.461 119.899 120.500 -0.234 0.000 2.073 273 R HA -0.184 4.156 4.340 0.001 0.000 0.234 273 R C 2.187 178.382 176.300 -0.174 0.000 1.134 273 R CA 2.082 57.972 56.100 -0.349 0.000 0.952 273 R CB -1.220 28.535 30.300 -0.909 0.000 0.850 273 R HN 0.369 nan 8.270 nan 0.000 0.433 274 I N 1.352 121.856 120.570 -0.109 0.000 2.439 274 I HA -0.149 4.022 4.170 0.001 0.000 0.251 274 I C 2.332 178.427 176.117 -0.036 0.000 1.139 274 I CA 1.246 62.526 61.300 -0.034 0.000 1.438 274 I CB -0.086 37.895 38.000 -0.032 0.000 1.085 274 I HN 0.318 nan 8.210 nan 0.000 0.427 275 S N -0.276 115.391 115.700 -0.055 0.000 2.383 275 S HA -0.122 4.348 4.470 0.001 0.000 0.227 275 S C 2.023 176.609 174.600 -0.023 0.000 1.026 275 S CA 1.224 59.412 58.200 -0.021 0.000 0.981 275 S CB -0.135 63.079 63.200 0.025 0.000 0.818 275 S HN 0.349 nan 8.310 nan 0.000 0.472 276 M N 1.011 120.538 119.600 -0.122 0.000 2.200 276 M HA 0.115 4.595 4.480 0.001 0.000 0.265 276 M C 2.057 178.413 176.300 0.092 0.000 1.066 276 M CA 1.016 56.212 55.300 -0.174 0.000 1.127 276 M CB -1.449 30.804 32.600 -0.578 0.000 1.379 276 M HN 0.343 nan 8.290 nan 0.000 0.420 277 L N -0.311 120.994 121.223 0.137 0.000 2.083 277 L HA -0.217 4.123 4.340 0.001 0.000 0.209 277 L C 2.597 179.524 176.870 0.094 0.000 1.083 277 L CA 1.158 56.090 54.840 0.155 0.000 0.752 277 L CB -0.676 41.458 42.059 0.125 0.000 0.899 277 L HN 0.340 nan 8.230 nan 0.000 0.433 278 K N -0.008 120.426 120.400 0.056 0.000 2.097 278 K HA -0.186 4.134 4.320 0.001 0.000 0.206 278 K C 1.858 178.486 176.600 0.047 0.000 1.049 278 K CA 1.264 57.572 56.287 0.036 0.000 0.933 278 K CB 0.201 32.704 32.500 0.005 0.000 0.717 278 K HN 0.222 nan 8.250 nan 0.000 0.442 279 E N 0.146 120.382 120.200 0.060 0.000 2.250 279 E HA -0.084 4.266 4.350 0.001 0.000 0.192 279 E C 1.015 177.665 176.600 0.084 0.000 0.986 279 E CA 0.897 57.337 56.400 0.065 0.000 0.849 279 E CB 0.201 29.946 29.700 0.075 0.000 0.797 279 E HN 0.348 nan 8.360 nan 0.000 0.482 280 D N -0.908 119.565 120.400 0.123 0.000 2.531 280 D HA 0.164 4.804 4.640 0.001 0.000 0.263 280 D C 0.393 176.756 176.300 0.106 0.000 1.057 280 D CA 1.101 55.193 54.000 0.154 0.000 0.909 280 D CB 0.801 41.786 40.800 0.307 0.000 1.236 280 D HN 0.149 nan 8.370 nan 0.000 0.494 281 G N -0.884 107.970 108.800 0.091 0.000 2.785 281 G HA2 0.380 4.340 3.960 0.001 0.000 0.685 281 G HA3 0.380 4.340 3.960 0.001 0.000 0.685 281 G C 0.495 175.368 174.900 -0.045 0.000 1.480 281 G CA -0.281 44.839 45.100 0.033 0.000 0.915 281 G HN 1.063 nan 8.290 nan 0.000 0.576 282 G N -1.630 107.136 108.800 -0.056 0.000 2.250 282 G HA2 0.485 4.445 3.960 0.001 0.000 0.252 282 G HA3 0.485 4.445 3.960 0.001 0.000 0.252 282 G C -0.894 173.968 174.900 -0.063 0.000 1.325 282 G CA 0.410 45.451 45.100 -0.099 0.000 1.091 282 G HN 2.069 nan 8.290 nan 0.000 0.476 283 V N 0.898 120.750 119.914 -0.103 0.000 2.483 283 V HA 0.582 4.702 4.120 0.001 0.000 0.297 283 V C -0.796 175.219 176.094 -0.133 0.000 1.027 283 V CA -0.592 61.681 62.300 -0.046 0.000 0.855 283 V CB 1.368 33.171 31.823 -0.033 0.000 0.995 283 V HN 0.939 nan 8.190 nan 0.000 0.424 284 Y N 6.214 126.448 120.300 -0.109 0.000 2.323 284 Y HA 0.775 5.325 4.550 0.001 0.000 0.331 284 Y C -0.819 174.921 175.900 -0.268 0.000 1.092 284 Y CA -0.675 57.342 58.100 -0.138 0.000 1.150 284 Y CB 1.224 39.681 38.460 -0.005 0.000 1.200 284 Y HN 0.546 nan 8.280 nan 0.000 0.472 285 L N 5.556 125.828 121.223 -1.585 0.000 2.408 285 L HA 0.347 4.688 4.340 0.001 0.000 0.268 285 L C -0.816 175.363 176.870 -1.152 0.000 0.986 285 L CA -1.189 52.892 54.840 -1.266 0.000 0.820 285 L CB 1.827 43.134 42.059 -1.254 0.000 1.303 285 L HN 0.591 nan 8.230 nan 0.000 0.411 286 D N 0.794 120.936 120.400 -0.430 0.000 2.423 286 D HA 0.027 4.667 4.640 0.001 0.000 0.238 286 D C 1.200 177.606 176.300 0.178 0.000 1.142 286 D CA -0.001 54.010 54.000 0.019 0.000 0.884 286 D CB 1.813 42.701 40.800 0.146 0.000 1.199 286 D HN 0.410 nan 8.370 nan 0.000 0.438 287 V N -0.204 119.886 119.914 0.294 0.000 3.026 287 V HA -0.172 3.949 4.120 0.001 0.000 0.265 287 V C 0.976 177.172 176.094 0.171 0.000 1.121 287 V CA 1.534 63.986 62.300 0.253 0.000 1.142 287 V CB -0.628 31.257 31.823 0.104 0.000 0.730 287 V HN 0.459 nan 8.190 nan 0.000 0.503 288 D N -1.481 119.031 120.400 0.186 0.000 2.340 288 D HA 0.128 4.768 4.640 0.001 0.000 0.217 288 D C 0.650 177.213 176.300 0.438 0.000 1.081 288 D CA -0.063 54.054 54.000 0.194 0.000 0.842 288 D CB -0.154 40.705 40.800 0.098 0.000 0.934 288 D HN 0.362 nan 8.370 nan 0.000 0.511 289 M N 0.765 120.618 119.600 0.423 0.000 2.277 289 M HA 0.421 4.902 4.480 0.001 0.000 0.350 289 M C -0.153 176.477 176.300 0.550 0.000 1.180 289 M CA -0.545 54.988 55.300 0.389 0.000 1.103 289 M CB 1.881 34.617 32.600 0.228 0.000 1.577 289 M HN -0.054 nan 8.290 nan 0.000 0.459 290 L N 3.038 124.424 121.223 0.272 0.000 2.303 290 L HA 0.570 4.910 4.340 0.001 0.000 0.266 290 L C -2.168 174.395 176.870 -0.512 0.000 1.011 290 L CA -2.035 52.699 54.840 -0.176 0.000 0.818 290 L CB 2.222 44.034 42.059 -0.411 0.000 1.326 290 L HN 0.380 nan 8.230 nan 0.000 0.435 291 P HA 0.036 nan 4.420 nan 0.000 0.269 291 P C -0.146 176.831 177.300 -0.537 0.000 1.209 291 P CA -0.157 62.064 63.100 -1.466 0.000 0.776 291 P CB 0.419 31.113 31.700 -1.677 0.000 0.876 292 G N 2.265 110.944 108.800 -0.202 0.000 2.690 292 G HA2 0.193 4.153 3.960 0.001 0.000 0.239 292 G HA3 0.193 4.153 3.960 0.001 0.000 0.239 292 G C -0.187 174.764 174.900 0.085 0.000 1.233 292 G CA -0.467 44.634 45.100 0.002 0.000 0.847 292 G HN 0.422 nan 8.290 nan 0.000 0.588 293 I N 0.497 121.132 120.570 0.109 0.000 2.428 293 I HA 0.120 4.291 4.170 0.001 0.000 0.296 293 I C 0.284 176.402 176.117 0.002 0.000 0.985 293 I CA -0.765 60.581 61.300 0.077 0.000 1.260 293 I CB 1.571 39.608 38.000 0.062 0.000 1.389 293 I HN 0.283 nan 8.210 nan 0.000 0.484 294 Q N 5.952 125.710 119.800 -0.070 0.000 2.239 294 Q HA 0.012 4.353 4.340 0.001 0.000 0.286 294 Q C -1.613 174.340 176.000 -0.078 0.000 1.102 294 Q CA -1.026 54.730 55.803 -0.077 0.000 0.936 294 Q CB 0.450 29.114 28.738 -0.124 0.000 1.127 294 Q HN 0.358 nan 8.270 nan 0.000 0.380 295 P HA -0.161 nan 4.420 nan 0.000 0.218 295 P C 0.333 177.628 177.300 -0.007 0.000 1.146 295 P CA 1.246 64.350 63.100 0.007 0.000 0.813 295 P CB 0.415 32.129 31.700 0.023 0.000 0.778 296 D N -1.786 118.587 120.400 -0.044 0.000 2.346 296 D HA -0.002 4.638 4.640 0.001 0.000 0.206 296 D C 1.789 178.031 176.300 -0.097 0.000 1.001 296 D CA 0.140 54.113 54.000 -0.045 0.000 0.871 296 D CB -0.302 40.474 40.800 -0.041 0.000 0.943 296 D HN 0.060 nan 8.370 nan 0.000 0.518 297 L N 0.126 121.222 121.223 -0.211 0.000 1.989 297 L HA -0.164 4.177 4.340 0.001 0.000 0.211 297 L C 1.077 177.710 176.870 -0.394 0.000 1.071 297 L CA 1.846 56.431 54.840 -0.426 0.000 0.749 297 L CB -0.385 41.221 42.059 -0.754 0.000 0.890 297 L HN -0.128 nan 8.230 nan 0.000 0.431 298 F N -0.462 119.476 119.950 -0.019 0.000 2.668 298 F HA 0.228 4.755 4.527 0.001 0.000 0.301 298 F C 1.778 177.582 175.800 0.007 0.000 1.106 298 F CA -0.144 57.827 58.000 -0.048 0.000 1.289 298 F CB -0.859 38.113 39.000 -0.046 0.000 1.006 298 F HN 0.169 nan 8.300 nan 0.000 0.535 299 K N -1.060 119.427 120.400 0.145 0.000 2.280 299 K HA -0.100 4.221 4.320 0.001 0.000 0.202 299 K C 1.922 178.579 176.600 0.095 0.000 1.047 299 K CA 1.554 57.913 56.287 0.120 0.000 0.942 299 K CB -0.250 32.290 32.500 0.066 0.000 0.739 299 K HN 0.114 nan 8.250 nan 0.000 0.457 300 S N 0.338 116.081 115.700 0.072 0.000 2.501 300 S HA 0.180 4.651 4.470 0.001 0.000 0.220 300 S C 0.588 175.207 174.600 0.030 0.000 0.997 300 S CA -0.494 57.729 58.200 0.038 0.000 0.919 300 S CB -0.121 63.089 63.200 0.017 0.000 0.778 300 S HN 0.285 nan 8.310 nan 0.000 0.523 301 I N 3.097 123.695 120.570 0.047 0.000 2.312 301 I HA 0.219 4.390 4.170 0.001 0.000 0.291 301 I C -0.272 175.917 176.117 0.121 0.000 1.031 301 I CA -0.341 60.976 61.300 0.028 0.000 1.293 301 I CB 0.767 38.674 38.000 -0.154 0.000 1.403 301 I HN 0.123 nan 8.210 nan 0.000 0.484 302 N N 6.287 124.997 118.700 0.017 0.000 2.488 302 N HA 0.105 4.845 4.740 0.001 0.000 0.274 302 N C -0.156 175.162 175.510 -0.320 0.000 1.111 302 N CA -0.644 52.352 53.050 -0.089 0.000 0.974 302 N CB 0.967 39.401 38.487 -0.089 0.000 1.089 302 N HN 0.507 nan 8.380 nan 0.000 0.465 303 K N 3.384 123.362 120.400 -0.704 0.000 2.453 303 K HA 0.079 4.399 4.320 0.001 0.000 0.280 303 K C -2.223 173.986 176.600 -0.652 0.000 1.045 303 K CA -1.152 54.308 56.287 -1.378 0.000 1.059 303 K CB 0.298 31.927 32.500 -1.453 0.000 0.901 303 K HN 0.271 nan 8.250 nan 0.000 0.475 304 P HA -0.054 nan 4.420 nan 0.000 0.264 304 P C -0.160 177.012 177.300 -0.213 0.000 1.183 304 P CA 0.099 63.056 63.100 -0.238 0.000 0.763 304 P CB 0.673 32.295 31.700 -0.129 0.000 0.807 305 D N 2.186 122.500 120.400 -0.144 0.000 2.149 305 D HA -0.217 4.424 4.640 0.001 0.000 0.194 305 D C 1.640 177.892 176.300 -0.081 0.000 1.001 305 D CA 2.139 56.074 54.000 -0.109 0.000 0.849 305 D CB -0.079 40.677 40.800 -0.073 0.000 0.939 305 D HN 0.366 nan 8.370 nan 0.000 0.449 306 S N -0.733 114.931 115.700 -0.060 0.000 2.481 306 S HA -0.040 4.431 4.470 0.001 0.000 0.231 306 S C 1.014 175.604 174.600 -0.016 0.000 0.996 306 S CA -0.027 58.155 58.200 -0.030 0.000 0.942 306 S CB -0.482 62.708 63.200 -0.017 0.000 0.768 306 S HN 0.276 nan 8.310 nan 0.000 0.520 307 I N 3.566 124.116 120.570 -0.033 0.000 2.441 307 I HA 0.155 4.325 4.170 0.001 0.000 0.287 307 I C 0.960 177.088 176.117 0.019 0.000 1.049 307 I CA -0.502 60.807 61.300 0.015 0.000 1.381 307 I CB 1.123 39.153 38.000 0.050 0.000 1.409 307 I HN 0.235 nan 8.210 nan 0.000 0.523 308 T N 1.751 116.343 114.554 0.064 0.000 2.860 308 T HA 0.082 4.432 4.350 0.001 0.000 0.299 308 T C 1.101 175.873 174.700 0.119 0.000 1.045 308 T CA -0.626 61.516 62.100 0.071 0.000 1.071 308 T CB 0.790 69.704 68.868 0.077 0.000 0.985 308 T HN 0.481 nan 8.240 nan 0.000 0.537 309 N N 1.139 119.904 118.700 0.109 0.000 2.149 309 N HA -0.102 4.638 4.740 0.001 0.000 0.188 309 N C 2.002 177.643 175.510 0.218 0.000 1.019 309 N CA 1.594 54.744 53.050 0.166 0.000 0.857 309 N CB -1.004 37.557 38.487 0.123 0.000 0.997 309 N HN 0.743 nan 8.380 nan 0.000 0.426 310 T N 0.403 115.054 114.554 0.161 0.000 2.708 310 T HA -0.037 4.314 4.350 0.001 0.000 0.266 310 T C 2.093 176.894 174.700 0.168 0.000 1.037 310 T CA 1.298 63.486 62.100 0.147 0.000 1.146 310 T CB -0.212 68.720 68.868 0.107 0.000 0.865 310 T HN 0.216 nan 8.240 nan 0.000 0.435 311 S N 0.073 115.880 115.700 0.179 0.000 2.402 311 S HA -0.059 4.411 4.470 0.001 0.000 0.229 311 S C 1.597 176.351 174.600 0.256 0.000 1.021 311 S CA 0.540 58.851 58.200 0.186 0.000 0.974 311 S CB -0.371 62.929 63.200 0.167 0.000 0.800 311 S HN 0.602 nan 8.310 nan 0.000 0.484 312 W N 2.499 123.846 121.300 0.078 0.000 2.358 312 W HA -0.138 4.522 4.660 0.000 0.000 0.303 312 W C 1.813 178.404 176.519 0.120 0.000 1.208 312 W CA 1.065 58.470 57.345 0.100 0.000 1.274 312 W CB 0.002 29.527 29.460 0.108 0.000 1.138 312 W HN 0.292 nan 8.180 nan 0.000 0.515 313 E N 0.285 120.602 120.200 0.195 0.000 2.051 313 E HA -0.252 4.098 4.350 0.001 0.000 0.192 313 E C 2.104 178.735 176.600 0.051 0.000 0.991 313 E CA 1.807 58.269 56.400 0.102 0.000 0.799 313 E CB -0.952 28.836 29.700 0.146 0.000 0.748 313 E HN 0.437 nan 8.360 nan 0.000 0.449 314 M N 0.101 119.750 119.600 0.082 0.000 2.082 314 M HA -0.185 4.295 4.480 0.001 0.000 0.258 314 M C 2.446 178.754 176.300 0.013 0.000 1.069 314 M CA 1.444 56.793 55.300 0.081 0.000 1.102 314 M CB -0.455 32.208 32.600 0.106 0.000 1.336 314 M HN 0.042 nan 8.290 nan 0.000 0.404 315 I N -0.054 120.477 120.570 -0.065 0.000 2.361 315 I HA -0.281 3.890 4.170 0.001 0.000 0.251 315 I C 2.297 178.149 176.117 -0.442 0.000 1.133 315 I CA 1.309 62.481 61.300 -0.214 0.000 1.413 315 I CB -0.316 37.529 38.000 -0.258 0.000 1.073 315 I HN 0.260 nan 8.210 nan 0.000 0.424 316 K N 0.595 120.754 120.400 -0.402 0.000 2.057 316 K HA -0.131 4.189 4.320 0.001 0.000 0.207 316 K C 2.056 178.599 176.600 -0.095 0.000 1.049 316 K CA 1.276 57.396 56.287 -0.279 0.000 0.931 316 K CB -0.153 32.338 32.500 -0.014 0.000 0.714 316 K HN 0.284 nan 8.250 nan 0.000 0.440 317 L N 0.796 121.977 121.223 -0.070 0.000 2.093 317 L HA -0.163 4.177 4.340 0.001 0.000 0.208 317 L C 2.082 178.789 176.870 -0.270 0.000 1.085 317 L CA 1.231 56.004 54.840 -0.112 0.000 0.755 317 L CB -0.264 41.772 42.059 -0.039 0.000 0.904 317 L HN 0.226 nan 8.230 nan 0.000 0.435 318 E N 0.098 120.192 120.200 -0.178 0.000 2.152 318 E HA -0.154 4.197 4.350 0.001 0.000 0.192 318 E C 2.306 178.588 176.600 -0.531 0.000 0.983 318 E CA 0.919 57.198 56.400 -0.202 0.000 0.818 318 E CB -0.082 29.603 29.700 -0.025 0.000 0.758 318 E HN 0.481 nan 8.360 nan 0.000 0.467 319 A N 1.405 123.837 122.820 -0.647 0.000 1.877 319 A HA -0.177 4.143 4.320 0.001 0.000 0.216 319 A C 2.181 179.522 177.584 -0.406 0.000 1.186 319 A CA 1.060 52.593 52.037 -0.839 0.000 0.620 319 A CB -0.604 17.911 19.000 -0.808 0.000 0.822 319 A HN 0.128 nan 8.150 nan 0.000 0.443 320 I N -0.680 119.756 120.570 -0.223 0.000 2.163 320 I HA -0.294 3.877 4.170 0.001 0.000 0.243 320 I C 2.450 178.354 176.117 -0.355 0.000 1.085 320 I CA 1.323 62.512 61.300 -0.185 0.000 1.347 320 I CB -0.296 37.588 38.000 -0.192 0.000 1.044 320 I HN 0.270 nan 8.210 nan 0.000 0.408 321 M N -0.009 119.338 119.600 -0.421 0.000 2.349 321 M HA -0.121 4.359 4.480 0.001 0.000 0.266 321 M C 2.179 178.237 176.300 -0.404 0.000 1.076 321 M CA 1.377 56.430 55.300 -0.413 0.000 1.126 321 M CB -1.028 31.286 32.600 -0.477 0.000 1.392 321 M HN 0.083 nan 8.290 nan 0.000 0.440 322 K N -0.033 120.031 120.400 -0.561 0.000 2.057 322 K HA -0.144 4.177 4.320 0.001 0.000 0.206 322 K C 1.410 177.579 176.600 -0.717 0.000 1.050 322 K CA 1.662 57.498 56.287 -0.753 0.000 0.935 322 K CB -0.023 31.696 32.500 -1.302 0.000 0.715 322 K HN 0.214 nan 8.250 nan 0.000 0.439 323 Y N -0.428 119.673 120.300 -0.332 0.000 2.507 323 Y HA 0.194 4.745 4.550 0.001 0.000 0.263 323 Y C 1.550 177.271 175.900 -0.297 0.000 1.093 323 Y CA 0.192 58.140 58.100 -0.255 0.000 1.285 323 Y CB 0.545 38.889 38.460 -0.193 0.000 1.115 323 Y HN -0.101 nan 8.280 nan 0.000 0.533 324 K N 0.148 120.341 120.400 -0.346 0.000 2.308 324 K HA 0.064 4.384 4.320 0.001 0.000 0.197 324 K C 0.196 176.454 176.600 -0.570 0.000 1.049 324 K CA 0.491 56.396 56.287 -0.638 0.000 0.991 324 K CB -0.014 31.640 32.500 -1.409 0.000 0.836 324 K HN 0.267 nan 8.250 nan 0.000 0.500 325 E N 0.213 120.156 120.200 -0.429 0.000 2.476 325 E HA -0.230 4.121 4.350 0.001 0.000 0.251 325 E C -0.072 176.459 176.600 -0.116 0.000 1.130 325 E CA 0.126 56.387 56.400 -0.230 0.000 0.736 325 E CB -1.526 28.087 29.700 -0.146 0.000 1.298 325 E HN 0.244 nan 8.360 nan 0.000 0.400 326 Y N -0.824 119.428 120.300 -0.079 0.000 2.274 326 Y HA 0.006 4.556 4.550 0.001 0.000 0.290 326 Y C 1.405 177.293 175.900 -0.020 0.000 1.145 326 Y CA 0.951 59.023 58.100 -0.047 0.000 1.203 326 Y CB 0.231 38.668 38.460 -0.039 0.000 0.984 326 Y HN 0.150 nan 8.280 nan 0.000 0.533 327 I N 2.704 123.349 120.570 0.126 0.000 2.448 327 I HA 0.253 4.424 4.170 0.001 0.000 0.281 327 I C -2.408 173.782 176.117 0.121 0.000 1.027 327 I CA -2.260 59.124 61.300 0.140 0.000 1.111 327 I CB 1.866 39.987 38.000 0.201 0.000 1.236 327 I HN -0.216 nan 8.210 nan 0.000 0.452 328 P HA 0.141 nan 4.420 nan 0.000 0.271 328 P C 0.784 178.127 177.300 0.072 0.000 1.216 328 P CA 0.427 63.559 63.100 0.055 0.000 0.771 328 P CB 1.107 32.825 31.700 0.030 0.000 0.864 329 G N 1.514 110.344 108.800 0.050 0.000 2.176 329 G HA2 -0.297 3.664 3.960 0.001 0.000 0.253 329 G HA3 -0.297 3.664 3.960 0.001 0.000 0.253 329 G C -0.113 174.820 174.900 0.055 0.000 0.979 329 G CA -0.219 44.902 45.100 0.034 0.000 0.641 329 G HN 0.575 nan 8.290 nan 0.000 0.530 330 Y N 2.132 122.424 120.300 -0.012 0.000 2.544 330 Y HA 0.454 5.005 4.550 0.001 0.000 0.330 330 Y C 1.387 177.263 175.900 -0.039 0.000 1.136 330 Y CA 0.903 59.000 58.100 -0.006 0.000 1.417 330 Y CB 0.651 39.102 38.460 -0.016 0.000 1.229 330 Y HN 0.191 nan 8.280 nan 0.000 0.532 331 T N 3.158 117.620 114.554 -0.153 0.000 2.939 331 T HA 0.049 4.399 4.350 0.001 0.000 0.319 331 T C 0.749 175.488 174.700 0.064 0.000 1.082 331 T CA 0.653 62.716 62.100 -0.062 0.000 1.133 331 T CB 0.078 68.869 68.868 -0.128 0.000 1.019 331 T HN 0.791 nan 8.240 nan 0.000 0.548 332 S N 2.953 118.668 115.700 0.025 0.000 2.855 332 S HA 0.254 4.724 4.470 0.001 0.000 0.249 332 S C 1.390 176.034 174.600 0.074 0.000 1.033 332 S CA -0.540 57.683 58.200 0.040 0.000 1.038 332 S CB 0.121 63.300 63.200 -0.035 0.000 0.960 332 S HN 0.802 nan 8.310 nan 0.000 0.548 333 K N 2.556 122.982 120.400 0.042 0.000 2.089 333 K HA -0.175 4.146 4.320 0.001 0.000 0.210 333 K C 1.419 178.047 176.600 0.047 0.000 1.048 333 K CA 2.074 58.382 56.287 0.034 0.000 0.926 333 K CB -0.183 32.327 32.500 0.016 0.000 0.714 333 K HN 0.479 nan 8.250 nan 0.000 0.448 334 N N -0.438 118.300 118.700 0.062 0.000 2.336 334 N HA -0.104 4.636 4.740 0.001 0.000 0.177 334 N C 1.730 177.264 175.510 0.041 0.000 1.018 334 N CA 0.718 53.801 53.050 0.055 0.000 0.878 334 N CB -0.286 38.240 38.487 0.066 0.000 0.997 334 N HN 0.131 nan 8.380 nan 0.000 0.433 335 F N 3.116 123.008 119.950 -0.096 0.000 2.120 335 F HA -0.193 4.334 4.527 0.001 0.000 0.300 335 F C 1.588 177.337 175.800 -0.085 0.000 1.095 335 F CA 1.543 59.448 58.000 -0.157 0.000 1.249 335 F CB -0.098 38.757 39.000 -0.241 0.000 0.995 335 F HN -0.089 nan 8.300 nan 0.000 0.480 336 D N -0.077 120.373 120.400 0.083 0.000 2.309 336 D HA -0.153 4.488 4.640 0.001 0.000 0.212 336 D C 1.991 178.255 176.300 -0.060 0.000 0.968 336 D CA 1.168 55.183 54.000 0.025 0.000 0.882 336 D CB -0.265 40.574 40.800 0.065 0.000 0.918 336 D HN 0.417 nan 8.370 nan 0.000 0.503 337 M N -0.182 119.378 119.600 -0.068 0.000 2.495 337 M HA 0.058 4.538 4.480 0.001 0.000 0.237 337 M C -0.014 176.239 176.300 -0.078 0.000 1.131 337 M CA -0.183 55.085 55.300 -0.052 0.000 1.032 337 M CB 0.452 33.043 32.600 -0.015 0.000 1.513 337 M HN -0.148 nan 8.290 nan 0.000 0.488 338 L N 0.921 122.043 121.223 -0.168 0.000 2.452 338 L HA 0.041 4.382 4.340 0.001 0.000 0.267 338 L C 0.395 177.196 176.870 -0.114 0.000 1.188 338 L CA 0.361 55.113 54.840 -0.147 0.000 0.821 338 L CB 0.000 41.898 42.059 -0.269 0.000 1.102 338 L HN 0.014 nan 8.230 nan 0.000 0.470 339 D N 0.759 121.130 120.400 -0.049 0.000 2.488 339 D HA -0.041 4.599 4.640 0.001 0.000 0.238 339 D C 1.041 177.322 176.300 -0.031 0.000 1.138 339 D CA 0.341 54.324 54.000 -0.029 0.000 0.873 339 D CB 0.731 41.526 40.800 -0.007 0.000 1.183 339 D HN 0.618 nan 8.370 nan 0.000 0.458 340 E N 2.035 122.225 120.200 -0.017 0.000 2.136 340 E HA -0.329 4.021 4.350 0.001 0.000 0.208 340 E C 1.500 178.111 176.600 0.019 0.000 1.035 340 E CA 1.785 58.187 56.400 0.003 0.000 0.838 340 E CB -0.010 29.697 29.700 0.012 0.000 0.748 340 E HN 0.653 nan 8.360 nan 0.000 0.459 341 E N 0.010 120.220 120.200 0.017 0.000 2.150 341 E HA -0.130 4.220 4.350 0.001 0.000 0.193 341 E C 2.111 178.735 176.600 0.040 0.000 0.985 341 E CA 0.948 57.362 56.400 0.024 0.000 0.814 341 E CB 0.182 29.890 29.700 0.014 0.000 0.752 341 E HN 0.102 nan 8.360 nan 0.000 0.466 342 V N 1.107 121.052 119.914 0.051 0.000 2.488 342 V HA -0.217 3.904 4.120 0.001 0.000 0.246 342 V C 2.158 178.367 176.094 0.192 0.000 1.046 342 V CA 1.449 63.817 62.300 0.113 0.000 1.053 342 V CB -0.458 31.456 31.823 0.151 0.000 0.679 342 V HN 0.218 nan 8.190 nan 0.000 0.458 343 Q N -0.003 119.837 119.800 0.065 0.000 2.135 343 Q HA -0.208 4.132 4.340 0.001 0.000 0.204 343 Q C 2.476 178.672 176.000 0.327 0.000 0.981 343 Q CA 1.562 57.437 55.803 0.119 0.000 0.856 343 Q CB -0.220 28.488 28.738 -0.049 0.000 0.902 343 Q HN 0.593 nan 8.270 nan 0.000 0.425 344 R N -0.145 120.451 120.500 0.161 0.000 2.115 344 R HA -0.014 4.327 4.340 0.001 0.000 0.226 344 R C 2.502 178.830 176.300 0.048 0.000 1.100 344 R CA 0.948 57.098 56.100 0.084 0.000 0.980 344 R CB -0.107 30.220 30.300 0.046 0.000 0.875 344 R HN 0.084 nan 8.270 nan 0.000 0.445 345 S N 0.805 116.536 115.700 0.052 0.000 2.365 345 S HA -0.161 4.310 4.470 0.001 0.000 0.225 345 S C 1.585 176.148 174.600 -0.061 0.000 1.039 345 S CA 1.530 59.711 58.200 -0.031 0.000 1.033 345 S CB -0.265 62.882 63.200 -0.088 0.000 0.887 345 S HN 0.196 nan 8.310 nan 0.000 0.447 346 F N 1.395 121.364 119.950 0.032 0.000 2.146 346 F HA -0.036 4.492 4.527 0.001 0.000 0.298 346 F C 2.539 178.295 175.800 -0.073 0.000 1.096 346 F CA 1.319 59.323 58.000 0.005 0.000 1.275 346 F CB -0.415 38.666 39.000 0.136 0.000 1.008 346 F HN 0.249 nan 8.300 nan 0.000 0.480 347 E N -0.276 119.860 120.200 -0.105 0.000 2.051 347 E HA -0.248 4.103 4.350 0.001 0.000 0.192 347 E C 2.411 178.832 176.600 -0.299 0.000 0.991 347 E CA 1.449 57.445 56.400 -0.674 0.000 0.799 347 E CB -0.248 29.010 29.700 -0.736 0.000 0.748 347 E HN 0.277 nan 8.360 nan 0.000 0.449 348 S N -0.234 115.384 115.700 -0.137 0.000 2.382 348 S HA -0.122 4.349 4.470 0.001 0.000 0.228 348 S C 2.041 176.616 174.600 -0.041 0.000 1.027 348 S CA 1.246 59.400 58.200 -0.078 0.000 0.991 348 S CB -0.256 62.915 63.200 -0.048 0.000 0.823 348 S HN 0.414 nan 8.310 nan 0.000 0.469 349 A N 0.933 123.758 122.820 0.008 0.000 1.969 349 A HA 0.208 4.528 4.320 0.001 0.000 0.218 349 A C 2.053 179.665 177.584 0.046 0.000 1.169 349 A CA 1.135 53.211 52.037 0.065 0.000 0.635 349 A CB -0.541 18.590 19.000 0.219 0.000 0.810 349 A HN 0.587 nan 8.150 nan 0.000 0.445 350 L N -0.483 120.769 121.223 0.049 0.000 2.592 350 L HA 0.044 4.384 4.340 0.001 0.000 0.227 350 L C 2.309 179.147 176.870 -0.054 0.000 1.127 350 L CA 0.264 55.107 54.840 0.005 0.000 0.884 350 L CB 0.043 42.134 42.059 0.053 0.000 1.065 350 L HN 0.235 nan 8.230 nan 0.000 0.457 351 S N 0.017 115.676 115.700 -0.069 0.000 2.355 351 S HA -0.145 4.326 4.470 0.001 0.000 0.222 351 S C 1.959 176.531 174.600 -0.047 0.000 1.031 351 S CA 1.714 59.874 58.200 -0.066 0.000 0.993 351 S CB -0.130 63.030 63.200 -0.067 0.000 0.859 351 S HN 0.588 nan 8.310 nan 0.000 0.453 352 S N 0.857 116.531 115.700 -0.043 0.000 2.631 352 S HA 0.194 4.664 4.470 0.001 0.000 0.217 352 S C 0.106 174.682 174.600 -0.039 0.000 0.958 352 S CA -0.186 57.992 58.200 -0.037 0.000 0.920 352 S CB -0.081 63.098 63.200 -0.035 0.000 0.776 352 S HN 0.185 nan 8.310 nan 0.000 0.517 353 K N 1.973 122.347 120.400 -0.044 0.000 2.483 353 K HA 0.346 4.667 4.320 0.001 0.000 0.256 353 K C 0.028 176.612 176.600 -0.027 0.000 0.961 353 K CA -0.072 56.188 56.287 -0.045 0.000 0.873 353 K CB 1.614 34.071 32.500 -0.072 0.000 1.107 353 K HN 0.285 nan 8.250 nan 0.000 0.432 354 S N -0.209 115.482 115.700 -0.015 0.000 2.511 354 S HA 0.003 4.474 4.470 0.001 0.000 0.214 354 S C 0.331 174.941 174.600 0.017 0.000 0.997 354 S CA -0.039 58.164 58.200 0.004 0.000 0.908 354 S CB 0.063 63.264 63.200 0.001 0.000 0.803 354 S HN 0.580 nan 8.310 nan 0.000 0.504 355 D N 1.574 121.972 120.400 -0.003 0.000 2.274 355 D HA 0.315 4.955 4.640 0.001 0.000 0.239 355 D C 0.844 177.125 176.300 -0.031 0.000 1.104 355 D CA -0.407 53.585 54.000 -0.013 0.000 0.840 355 D CB 1.126 41.914 40.800 -0.021 0.000 1.100 355 D HN 0.010 nan 8.370 nan 0.000 0.477 356 K N 1.462 121.828 120.400 -0.056 0.000 2.211 356 K HA -0.127 4.194 4.320 0.001 0.000 0.204 356 K C 1.181 177.719 176.600 -0.103 0.000 1.047 356 K CA 0.945 57.148 56.287 -0.140 0.000 0.935 356 K CB 0.150 32.482 32.500 -0.280 0.000 0.728 356 K HN 0.324 nan 8.250 nan 0.000 0.452 357 S N 0.730 116.394 115.700 -0.060 0.000 2.522 357 S HA -0.029 4.441 4.470 0.001 0.000 0.227 357 S C 0.839 175.410 174.600 -0.049 0.000 0.986 357 S CA 0.634 58.812 58.200 -0.036 0.000 0.929 357 S CB 0.038 63.227 63.200 -0.019 0.000 0.769 357 S HN 0.384 nan 8.310 nan 0.000 0.529 358 E N 0.264 120.423 120.200 -0.069 0.000 2.478 358 E HA 0.133 4.483 4.350 0.001 0.000 0.194 358 E C 1.008 177.522 176.600 -0.143 0.000 1.045 358 E CA 0.249 56.597 56.400 -0.086 0.000 0.868 358 E CB 0.216 29.872 29.700 -0.075 0.000 0.885 358 E HN 0.403 nan 8.360 nan 0.000 0.505 359 I N -0.267 120.196 120.570 -0.179 0.000 3.345 359 I HA 0.085 4.255 4.170 0.001 0.000 0.258 359 I C 0.618 176.538 176.117 -0.328 0.000 1.134 359 I CA 0.474 61.585 61.300 -0.315 0.000 1.457 359 I CB -0.380 37.390 38.000 -0.383 0.000 1.425 359 I HN -0.070 nan 8.210 nan 0.000 0.461 360 F N 1.407 121.259 119.950 -0.162 0.000 2.377 360 F HA 0.408 4.935 4.527 0.001 0.000 0.328 360 F C 0.253 175.951 175.800 -0.170 0.000 1.094 360 F CA -0.926 56.950 58.000 -0.205 0.000 1.093 360 F CB 0.626 39.447 39.000 -0.299 0.000 1.214 360 F HN -0.190 nan 8.300 nan 0.000 0.518 361 L N 5.218 126.483 121.223 0.070 0.000 2.257 361 L HA 0.540 4.881 4.340 0.001 0.000 0.290 361 L C -2.529 174.332 176.870 -0.014 0.000 1.044 361 L CA -1.920 52.928 54.840 0.014 0.000 0.810 361 L CB 0.586 42.658 42.059 0.023 0.000 1.193 361 L HN 0.276 nan 8.230 nan 0.000 0.425 362 P HA 0.115 nan 4.420 nan 0.000 0.269 362 P C 0.708 178.024 177.300 0.027 0.000 1.209 362 P CA -0.119 62.985 63.100 0.007 0.000 0.776 362 P CB 0.709 32.428 31.700 0.030 0.000 0.876 363 L N 0.444 121.664 121.223 -0.004 0.000 2.093 363 L HA -0.153 4.188 4.340 0.001 0.000 0.208 363 L C 1.360 178.294 176.870 0.107 0.000 1.085 363 L CA 1.142 55.985 54.840 0.005 0.000 0.755 363 L CB -0.734 41.179 42.059 -0.244 0.000 0.904 363 L HN 0.484 nan 8.230 nan 0.000 0.435 364 D N -0.155 120.354 120.400 0.181 0.000 3.584 364 D HA -0.280 4.361 4.640 0.001 0.000 0.153 364 D C -0.130 176.313 176.300 0.237 0.000 0.949 364 D CA 1.957 56.087 54.000 0.216 0.000 1.011 364 D CB -0.393 40.475 40.800 0.113 0.000 0.476 364 D HN 0.137 nan 8.370 nan 0.000 0.460 365 D N 0.112 120.588 120.400 0.127 0.000 2.295 365 D HA 0.448 5.089 4.640 0.001 0.000 0.248 365 D C -0.405 175.940 176.300 0.074 0.000 1.154 365 D CA 0.002 54.056 54.000 0.089 0.000 0.857 365 D CB 0.438 41.265 40.800 0.044 0.000 1.117 365 D HN 0.256 nan 8.370 nan 0.000 0.468 366 I N 2.792 123.406 120.570 0.073 0.000 2.354 366 I HA 0.183 4.353 4.170 0.001 0.000 0.286 366 I C 0.390 176.506 176.117 -0.002 0.000 1.007 366 I CA -0.737 60.573 61.300 0.017 0.000 1.167 366 I CB 0.985 38.981 38.000 -0.007 0.000 1.320 366 I HN -0.069 nan 8.210 nan 0.000 0.458 367 K N 5.113 125.506 120.400 -0.012 0.000 2.249 367 K HA 0.614 4.935 4.320 0.001 0.000 0.280 367 K C -0.747 175.842 176.600 -0.018 0.000 1.033 367 K CA -0.358 55.923 56.287 -0.011 0.000 0.946 367 K CB 2.338 34.833 32.500 -0.009 0.000 1.005 367 K HN 0.323 nan 8.250 nan 0.000 0.469 368 V N 1.089 121.000 119.914 -0.006 0.000 3.147 368 V HA 0.360 4.480 4.120 0.001 0.000 0.306 368 V C -1.218 174.887 176.094 0.018 0.000 1.209 368 V CA -0.613 61.690 62.300 0.004 0.000 1.023 368 V CB 2.480 34.310 31.823 0.012 0.000 1.059 368 V HN 0.835 nan 8.190 nan 0.000 0.435 369 S N 3.548 119.267 115.700 0.031 0.000 2.578 369 S HA 0.576 5.047 4.470 0.001 0.000 0.283 369 S C -1.936 172.700 174.600 0.059 0.000 1.195 369 S CA -1.301 56.922 58.200 0.037 0.000 1.050 369 S CB 1.718 64.936 63.200 0.031 0.000 1.012 369 S HN 0.686 nan 8.310 nan 0.000 0.511 370 P HA 0.002 nan 4.420 nan 0.000 0.223 370 P C 0.812 178.170 177.300 0.097 0.000 1.144 370 P CA 0.934 64.078 63.100 0.072 0.000 0.783 370 P CB 0.044 31.781 31.700 0.062 0.000 0.771 371 L N -1.093 120.173 121.223 0.071 0.000 2.554 371 L HA 0.072 4.413 4.340 0.001 0.000 0.226 371 L C 1.321 178.283 176.870 0.154 0.000 1.137 371 L CA 0.295 55.169 54.840 0.056 0.000 0.863 371 L CB -0.436 41.600 42.059 -0.038 0.000 0.985 371 L HN 0.168 nan 8.230 nan 0.000 0.451 372 E N -0.853 119.460 120.200 0.188 0.000 2.410 372 E HA 0.581 4.931 4.350 0.001 0.000 0.269 372 E C -1.265 175.490 176.600 0.258 0.000 0.937 372 E CA -0.848 55.730 56.400 0.296 0.000 0.793 372 E CB 2.622 32.543 29.700 0.369 0.000 1.314 372 E HN -0.236 nan 8.360 nan 0.000 0.447 373 V N 1.626 121.750 119.914 0.351 0.000 2.483 373 V HA 0.313 4.433 4.120 0.001 0.000 0.297 373 V C -0.265 176.065 176.094 0.393 0.000 1.027 373 V CA -0.942 61.550 62.300 0.319 0.000 0.855 373 V CB 1.478 33.492 31.823 0.318 0.000 0.995 373 V HN 0.584 nan 8.190 nan 0.000 0.424 374 K N 3.994 124.560 120.400 0.276 0.000 2.202 374 K HA 0.668 4.988 4.320 0.001 0.000 0.264 374 K C -0.774 176.022 176.600 0.328 0.000 1.010 374 K CA -0.343 56.107 56.287 0.271 0.000 0.940 374 K CB 1.853 34.420 32.500 0.111 0.000 0.983 374 K HN 0.583 nan 8.250 nan 0.000 0.475 375 I N 0.478 121.275 120.570 0.379 0.000 2.827 375 I HA 0.304 4.475 4.170 0.001 0.000 0.298 375 I C -1.001 175.333 176.117 0.361 0.000 1.235 375 I CA -0.611 60.866 61.300 0.295 0.000 1.021 375 I CB 1.926 40.017 38.000 0.151 0.000 1.259 375 I HN 0.766 nan 8.210 nan 0.000 0.427 376 A N 5.276 128.221 122.820 0.209 0.000 2.386 376 A HA 0.529 4.849 4.320 0.001 0.000 0.246 376 A C -1.244 176.431 177.584 0.152 0.000 1.089 376 A CA 0.399 52.545 52.037 0.182 0.000 0.790 376 A CB 0.099 19.078 19.000 -0.035 0.000 1.042 376 A HN 0.514 nan 8.150 nan 0.000 0.497 377 F N -0.331 119.661 119.950 0.070 0.000 2.507 377 F HA 0.584 5.111 4.527 0.001 0.000 0.325 377 F C 0.428 176.257 175.800 0.048 0.000 1.116 377 F CA -0.083 57.958 58.000 0.068 0.000 0.930 377 F CB 2.197 41.247 39.000 0.082 0.000 1.146 377 F HN 0.683 nan 8.300 nan 0.000 0.447 378 A N 3.185 126.082 122.820 0.128 0.000 2.319 378 A HA 0.612 4.932 4.320 0.001 0.000 0.310 378 A C -0.306 177.343 177.584 0.108 0.000 1.152 378 A CA -0.754 51.345 52.037 0.102 0.000 0.783 378 A CB 0.406 19.430 19.000 0.040 0.000 1.184 378 A HN 0.795 nan 8.150 nan 0.000 0.474 379 N N 1.593 120.364 118.700 0.118 0.000 2.696 379 N HA -0.216 4.524 4.740 0.001 0.000 0.256 379 N C 0.094 175.682 175.510 0.129 0.000 1.031 379 N CA 1.526 54.634 53.050 0.096 0.000 0.730 379 N CB -1.425 37.092 38.487 0.049 0.000 0.894 379 N HN 0.925 nan 8.380 nan 0.000 0.544 380 N N -2.939 115.884 118.700 0.206 0.000 2.778 380 N HA -0.219 4.521 4.740 0.001 0.000 0.249 380 N C -0.981 174.712 175.510 0.305 0.000 1.069 380 N CA 1.661 54.868 53.050 0.261 0.000 0.831 380 N CB -0.762 37.817 38.487 0.153 0.000 1.142 380 N HN 0.495 nan 8.380 nan 0.000 0.573 381 S N -0.703 115.119 115.700 0.204 0.000 2.570 381 S HA 0.664 5.135 4.470 0.001 0.000 0.286 381 S C 0.040 174.424 174.600 -0.360 0.000 1.099 381 S CA -0.636 57.556 58.200 -0.013 0.000 0.913 381 S CB 2.227 65.423 63.200 -0.007 0.000 1.085 381 S HN 0.391 nan 8.310 nan 0.000 0.480 382 V N 1.660 121.212 119.914 -0.604 0.000 2.843 382 V HA 0.626 4.746 4.120 0.001 0.000 0.305 382 V C -0.143 175.763 176.094 -0.313 0.000 1.065 382 V CA -0.059 61.822 62.300 -0.699 0.000 1.116 382 V CB 0.426 31.964 31.823 -0.476 0.000 0.968 382 V HN 0.830 nan 8.190 nan 0.000 0.487 383 I N 3.988 124.400 120.570 -0.262 0.000 2.610 383 I HA 0.455 4.625 4.170 0.001 0.000 0.289 383 I C 0.229 176.238 176.117 -0.181 0.000 1.163 383 I CA -0.704 60.501 61.300 -0.157 0.000 1.044 383 I CB 2.051 40.002 38.000 -0.083 0.000 1.251 383 I HN 0.897 nan 8.210 nan 0.000 0.424 384 N N 6.721 125.290 118.700 -0.218 0.000 2.416 384 N HA -0.104 4.637 4.740 0.001 0.000 0.215 384 N C 0.813 176.281 175.510 -0.070 0.000 1.208 384 N CA -0.185 52.673 53.050 -0.320 0.000 0.834 384 N CB 0.069 38.233 38.487 -0.539 0.000 1.072 384 N HN 0.823 nan 8.380 nan 0.000 0.472 385 Q N -0.941 118.852 119.800 -0.013 0.000 2.436 385 Q HA 0.187 4.528 4.340 0.001 0.000 0.209 385 Q C -0.165 175.856 176.000 0.035 0.000 0.965 385 Q CA 0.520 56.367 55.803 0.072 0.000 0.910 385 Q CB 0.163 28.922 28.738 0.035 0.000 0.980 385 Q HN 0.299 nan 8.270 nan 0.000 0.491 386 A N 0.828 123.641 122.820 -0.013 0.000 2.517 386 A HA 0.693 5.013 4.320 0.001 0.000 0.297 386 A C -1.536 176.147 177.584 0.165 0.000 1.050 386 A CA -0.788 51.206 52.037 -0.072 0.000 0.694 386 A CB 1.360 20.002 19.000 -0.597 0.000 1.277 386 A HN 0.237 nan 8.150 nan 0.000 0.400 387 L N 1.973 123.392 121.223 0.327 0.000 2.466 387 L HA 0.668 5.008 4.340 0.001 0.000 0.258 387 L C -1.149 175.898 176.870 0.294 0.000 0.973 387 L CA -0.447 54.577 54.840 0.307 0.000 0.826 387 L CB 2.453 44.635 42.059 0.205 0.000 1.372 387 L HN 0.657 nan 8.230 nan 0.000 0.409 388 I N 1.223 121.912 120.570 0.198 0.000 2.499 388 I HA 0.567 4.738 4.170 0.001 0.000 0.288 388 I C -0.626 175.551 176.117 0.099 0.000 1.048 388 I CA -0.347 61.003 61.300 0.083 0.000 1.062 388 I CB 2.182 40.141 38.000 -0.068 0.000 1.238 388 I HN 0.494 nan 8.210 nan 0.000 0.426 389 S N 6.296 122.043 115.700 0.078 0.000 2.566 389 S HA 0.582 5.053 4.470 0.001 0.000 0.273 389 S C -0.743 173.888 174.600 0.053 0.000 1.157 389 S CA -0.619 57.630 58.200 0.081 0.000 0.938 389 S CB 1.141 64.400 63.200 0.099 0.000 1.087 389 S HN 0.481 nan 8.310 nan 0.000 0.474 390 L N 3.875 125.129 121.223 0.051 0.000 2.506 390 L HA 0.219 4.560 4.340 0.001 0.000 0.281 390 L C 0.918 177.816 176.870 0.045 0.000 1.228 390 L CA -0.091 54.774 54.840 0.041 0.000 0.850 390 L CB 0.232 42.317 42.059 0.043 0.000 1.110 390 L HN 0.669 nan 8.230 nan 0.000 0.496 391 K N 3.314 123.737 120.400 0.039 0.000 2.484 391 K HA -0.098 4.223 4.320 0.001 0.000 0.280 391 K C -0.090 176.535 176.600 0.042 0.000 1.013 391 K CA -0.105 56.209 56.287 0.044 0.000 1.029 391 K CB 0.260 32.785 32.500 0.041 0.000 0.902 391 K HN 0.631 nan 8.250 nan 0.000 0.481 392 D N 1.729 122.152 120.400 0.038 0.000 2.837 392 D HA -0.171 4.469 4.640 0.001 0.000 0.230 392 D C -0.329 175.998 176.300 0.045 0.000 1.152 392 D CA 1.507 55.526 54.000 0.032 0.000 0.736 392 D CB -1.359 39.461 40.800 0.033 0.000 1.084 392 D HN 0.707 nan 8.370 nan 0.000 0.429 393 S N -1.174 114.557 115.700 0.051 0.000 2.573 393 S HA 0.083 4.554 4.470 0.001 0.000 0.277 393 S C 1.277 175.923 174.600 0.078 0.000 1.346 393 S CA -0.387 57.860 58.200 0.079 0.000 1.034 393 S CB 1.049 64.299 63.200 0.084 0.000 0.879 393 S HN 0.255 nan 8.310 nan 0.000 0.528 394 Y N 1.615 121.910 120.300 -0.007 0.000 2.151 394 Y HA -0.217 4.334 4.550 0.001 0.000 0.284 394 Y C 2.735 178.607 175.900 -0.047 0.000 1.166 394 Y CA 2.045 60.126 58.100 -0.032 0.000 1.163 394 Y CB -0.757 37.658 38.460 -0.075 0.000 0.974 394 Y HN 0.881 nan 8.280 nan 0.000 0.511 395 C N -0.260 119.084 119.300 0.073 0.000 2.440 395 C HA -0.134 4.326 4.460 0.001 0.000 0.278 395 C C 3.159 178.091 174.990 -0.096 0.000 1.295 395 C CA 1.559 60.577 59.018 0.000 0.000 1.738 395 C CB -1.603 26.205 27.740 0.113 0.000 1.987 395 C HN 0.811 nan 8.230 nan 0.000 0.492 396 S N 0.258 115.925 115.700 -0.054 0.000 2.399 396 S HA -0.198 4.272 4.470 0.001 0.000 0.231 396 S C 1.445 175.959 174.600 -0.143 0.000 1.022 396 S CA 2.052 60.206 58.200 -0.077 0.000 0.983 396 S CB -0.545 62.645 63.200 -0.017 0.000 0.803 396 S HN 0.617 nan 8.310 nan 0.000 0.480 397 D N 1.648 121.940 120.400 -0.180 0.000 2.117 397 D HA 0.052 4.692 4.640 0.001 0.000 0.198 397 D C 1.995 178.137 176.300 -0.262 0.000 0.982 397 D CA 0.971 54.835 54.000 -0.226 0.000 0.828 397 D CB -0.327 40.299 40.800 -0.290 0.000 0.967 397 D HN 0.411 nan 8.370 nan 0.000 0.464 398 L N 0.244 121.283 121.223 -0.307 0.000 2.083 398 L HA -0.137 4.204 4.340 0.001 0.000 0.209 398 L C 2.531 179.238 176.870 -0.273 0.000 1.083 398 L CA 0.554 55.232 54.840 -0.268 0.000 0.752 398 L CB -0.330 41.591 42.059 -0.231 0.000 0.899 398 L HN -0.060 nan 8.230 nan 0.000 0.433 399 V N 0.110 119.834 119.914 -0.318 0.000 2.307 399 V HA -0.272 3.849 4.120 0.001 0.000 0.245 399 V C 2.330 178.234 176.094 -0.317 0.000 1.045 399 V CA 1.725 63.765 62.300 -0.433 0.000 1.024 399 V CB -0.252 31.211 31.823 -0.600 0.000 0.651 399 V HN 0.293 nan 8.190 nan 0.000 0.449 400 I N 0.710 121.138 120.570 -0.237 0.000 2.208 400 I HA -0.255 3.916 4.170 0.001 0.000 0.245 400 I C 2.313 178.343 176.117 -0.146 0.000 1.097 400 I CA 1.510 62.709 61.300 -0.170 0.000 1.363 400 I CB -0.497 37.420 38.000 -0.138 0.000 1.051 400 I HN 0.374 nan 8.210 nan 0.000 0.413 401 N N 0.391 118.997 118.700 -0.158 0.000 2.223 401 N HA -0.176 4.564 4.740 0.001 0.000 0.185 401 N C 1.820 177.253 175.510 -0.127 0.000 1.016 401 N CA 0.950 53.921 53.050 -0.131 0.000 0.863 401 N CB -0.253 38.154 38.487 -0.133 0.000 0.983 401 N HN 0.408 nan 8.380 nan 0.000 0.429 402 Q N 0.530 120.232 119.800 -0.163 0.000 2.079 402 Q HA 0.039 4.379 4.340 0.001 0.000 0.200 402 Q C 2.269 178.208 176.000 -0.101 0.000 0.974 402 Q CA 0.588 56.294 55.803 -0.162 0.000 0.840 402 Q CB -0.134 28.473 28.738 -0.219 0.000 0.898 402 Q HN 0.454 nan 8.270 nan 0.000 0.430 403 I N 0.848 121.373 120.570 -0.075 0.000 2.127 403 I HA -0.326 3.844 4.170 0.001 0.000 0.241 403 I C 2.320 178.515 176.117 0.131 0.000 1.075 403 I CA 1.354 62.686 61.300 0.054 0.000 1.334 403 I CB -0.269 37.735 38.000 0.008 0.000 1.040 403 I HN 0.177 nan 8.210 nan 0.000 0.405 404 K N 0.765 121.178 120.400 0.022 0.000 2.044 404 K HA -0.217 4.104 4.320 0.001 0.000 0.210 404 K C 1.804 178.423 176.600 0.032 0.000 1.049 404 K CA 2.124 58.422 56.287 0.018 0.000 0.927 404 K CB -0.390 32.088 32.500 -0.037 0.000 0.713 404 K HN 0.417 nan 8.250 nan 0.000 0.443 405 N N 0.168 118.853 118.700 -0.024 0.000 2.188 405 N HA -0.099 4.641 4.740 0.001 0.000 0.184 405 N C 1.813 177.276 175.510 -0.077 0.000 1.018 405 N CA 0.702 53.715 53.050 -0.061 0.000 0.858 405 N CB 0.053 38.475 38.487 -0.109 0.000 0.989 405 N HN 0.131 nan 8.380 nan 0.000 0.426 406 R N -0.204 120.251 120.500 -0.077 0.000 2.073 406 R HA -0.063 4.277 4.340 0.001 0.000 0.229 406 R C 1.479 177.833 176.300 0.090 0.000 1.120 406 R CA 1.100 57.154 56.100 -0.078 0.000 0.967 406 R CB -0.322 29.959 30.300 -0.033 0.000 0.862 406 R HN 0.325 nan 8.270 nan 0.000 0.436 407 Y N 1.065 121.383 120.300 0.031 0.000 2.352 407 Y HA -0.162 4.388 4.550 0.001 0.000 0.292 407 Y C 2.403 178.301 175.900 -0.004 0.000 1.136 407 Y CA 1.274 59.379 58.100 0.009 0.000 1.227 407 Y CB 0.015 38.466 38.460 -0.014 0.000 0.991 407 Y HN -0.010 nan 8.280 nan 0.000 0.545 408 K N 0.387 120.865 120.400 0.131 0.000 2.002 408 K HA -0.175 4.146 4.320 0.001 0.000 0.209 408 K C 1.735 178.373 176.600 0.064 0.000 1.048 408 K CA 1.712 58.040 56.287 0.070 0.000 0.930 408 K CB -0.260 32.258 32.500 0.030 0.000 0.714 408 K HN 0.086 nan 8.250 nan 0.000 0.438 409 I N 1.451 122.064 120.570 0.072 0.000 2.118 409 I HA -0.273 3.897 4.170 0.001 0.000 0.241 409 I C 2.421 178.611 176.117 0.122 0.000 1.070 409 I CA 1.131 62.496 61.300 0.108 0.000 1.327 409 I CB -1.375 36.737 38.000 0.188 0.000 1.034 409 I HN 0.317 nan 8.210 nan 0.000 0.405 410 L N 1.448 122.729 121.223 0.095 0.000 1.989 410 L HA -0.228 4.112 4.340 0.001 0.000 0.211 410 L C 2.237 179.108 176.870 0.001 0.000 1.071 410 L CA 2.028 56.870 54.840 0.004 0.000 0.749 410 L CB -0.772 41.119 42.059 -0.281 0.000 0.890 410 L HN 0.218 nan 8.230 nan 0.000 0.431 411 N N -0.240 118.460 118.700 -0.001 0.000 2.135 411 N HA -0.153 4.587 4.740 0.001 0.000 0.186 411 N C 1.514 177.038 175.510 0.024 0.000 1.027 411 N CA 1.446 54.496 53.050 -0.001 0.000 0.849 411 N CB -0.550 37.961 38.487 0.040 0.000 1.002 411 N HN 0.393 nan 8.380 nan 0.000 0.425 412 D N 0.664 121.090 120.400 0.044 0.000 2.265 412 D HA -0.083 4.558 4.640 0.001 0.000 0.208 412 D C 1.206 177.544 176.300 0.064 0.000 0.977 412 D CA 0.818 54.845 54.000 0.044 0.000 0.871 412 D CB -0.066 40.758 40.800 0.040 0.000 0.925 412 D HN 0.340 nan 8.370 nan 0.000 0.485 413 N N -0.421 118.346 118.700 0.111 0.000 2.482 413 N HA -0.017 4.724 4.740 0.001 0.000 0.179 413 N C 1.744 177.394 175.510 0.233 0.000 1.039 413 N CA -0.059 53.103 53.050 0.188 0.000 0.884 413 N CB 0.186 38.811 38.487 0.229 0.000 1.113 413 N HN 0.104 nan 8.380 nan 0.000 0.440 414 L N 2.260 123.536 121.223 0.087 0.000 2.109 414 L HA 0.045 4.385 4.340 0.001 0.000 0.207 414 L C 1.493 178.289 176.870 -0.124 0.000 1.086 414 L CA 1.531 56.199 54.840 -0.288 0.000 0.760 414 L CB -0.822 40.858 42.059 -0.631 0.000 0.910 414 L HN 0.093 nan 8.230 nan 0.000 0.437 415 N N -0.139 118.532 118.700 -0.048 0.000 2.043 415 N HA -0.168 4.573 4.740 0.001 0.000 0.193 415 N C -0.984 174.529 175.510 0.005 0.000 1.037 415 N CA 1.665 54.706 53.050 -0.015 0.000 0.851 415 N CB -1.088 37.399 38.487 -0.000 0.000 1.027 415 N HN 0.327 nan 8.380 nan 0.000 0.422 416 P HA -0.068 nan 4.420 nan 0.000 0.216 416 P C 1.044 178.362 177.300 0.029 0.000 1.150 416 P CA 1.299 64.415 63.100 0.026 0.000 0.837 416 P CB 0.069 31.790 31.700 0.034 0.000 0.786 417 S N -0.464 115.258 115.700 0.035 0.000 2.356 417 S HA -0.125 4.345 4.470 0.001 0.000 0.223 417 S C 1.934 176.544 174.600 0.016 0.000 1.032 417 S CA 1.077 59.297 58.200 0.033 0.000 1.005 417 S CB -1.165 62.072 63.200 0.062 0.000 0.867 417 S HN 0.126 nan 8.310 nan 0.000 0.449 418 I N 2.251 122.829 120.570 0.013 0.000 2.264 418 I HA -0.224 3.947 4.170 0.001 0.000 0.248 418 I C 2.061 178.222 176.117 0.073 0.000 1.111 418 I CA 0.901 62.243 61.300 0.070 0.000 1.382 418 I CB -0.404 37.640 38.000 0.074 0.000 1.060 418 I HN 0.252 nan 8.210 nan 0.000 0.418 419 N N 1.167 119.893 118.700 0.043 0.000 2.142 419 N HA -0.139 4.602 4.740 0.001 0.000 0.186 419 N C 0.572 176.104 175.510 0.037 0.000 1.023 419 N CA 0.920 53.992 53.050 0.037 0.000 0.852 419 N CB -0.257 38.244 38.487 0.024 0.000 0.998 419 N HN 0.560 nan 8.380 nan 0.000 0.424 420 E N 0.004 120.222 120.200 0.031 0.000 2.026 420 E HA 0.567 4.918 4.350 0.001 0.000 0.253 420 E C -0.180 176.436 176.600 0.027 0.000 1.056 420 E CA -0.776 55.640 56.400 0.027 0.000 0.927 420 E CB 0.495 30.206 29.700 0.018 0.000 1.172 420 E HN 0.060 nan 8.360 nan 0.000 0.445 421 G N 0.831 109.657 108.800 0.044 0.000 2.759 421 G HA2 0.293 4.253 3.960 0.001 0.000 0.297 421 G HA3 0.293 4.253 3.960 0.001 0.000 0.297 421 G C 0.271 175.217 174.900 0.076 0.000 1.434 421 G CA -0.636 44.491 45.100 0.046 0.000 0.980 421 G HN 0.215 nan 8.290 nan 0.000 0.531 422 T N -1.955 112.639 114.554 0.067 0.000 3.037 422 T HA 0.309 4.660 4.350 0.001 0.000 0.251 422 T C 0.439 175.217 174.700 0.130 0.000 1.079 422 T CA 1.168 63.319 62.100 0.086 0.000 1.067 422 T CB -0.051 68.853 68.868 0.060 0.000 0.948 422 T HN 0.808 nan 8.240 nan 0.000 0.496 423 D N -0.738 119.742 120.400 0.133 0.000 2.851 423 D HA 0.169 4.809 4.640 0.001 0.000 0.339 423 D C 0.288 176.609 176.300 0.036 0.000 1.347 423 D CA -1.085 53.018 54.000 0.172 0.000 0.888 423 D CB 0.048 40.918 40.800 0.117 0.000 1.431 423 D HN -0.106 nan 8.370 nan 0.000 0.509 424 F N 1.092 120.941 119.950 -0.168 0.000 2.113 424 F HA 0.011 4.538 4.527 -0.000 0.000 0.297 424 F C 1.628 177.245 175.800 -0.304 0.000 1.103 424 F CA 1.687 59.382 58.000 -0.507 0.000 1.248 424 F CB -0.312 38.511 39.000 -0.295 0.000 0.999 424 F HN 0.201 nan 8.300 nan 0.000 0.475 425 N N -0.166 118.400 118.700 -0.223 0.000 2.142 425 N HA -0.134 4.607 4.740 0.001 0.000 0.186 425 N C 1.878 177.247 175.510 -0.236 0.000 1.023 425 N CA 1.937 54.831 53.050 -0.260 0.000 0.852 425 N CB -0.986 37.467 38.487 -0.057 0.000 0.998 425 N HN 0.280 nan 8.380 nan 0.000 0.424 426 T N 0.851 115.316 114.554 -0.148 0.000 2.684 426 T HA -0.114 4.237 4.350 0.001 0.000 0.267 426 T C 1.904 176.520 174.700 -0.139 0.000 1.036 426 T CA 1.779 63.815 62.100 -0.106 0.000 1.148 426 T CB -0.533 68.307 68.868 -0.046 0.000 0.863 426 T HN 0.311 nan 8.240 nan 0.000 0.436 427 T N 2.476 116.906 114.554 -0.206 0.000 2.684 427 T HA -0.081 4.269 4.350 0.001 0.000 0.267 427 T C 2.072 176.647 174.700 -0.207 0.000 1.036 427 T CA 1.081 63.057 62.100 -0.206 0.000 1.148 427 T CB -0.285 68.401 68.868 -0.303 0.000 0.863 427 T HN 0.178 nan 8.240 nan 0.000 0.436 428 M N 0.921 120.285 119.600 -0.393 0.000 2.108 428 M HA -0.056 4.425 4.480 0.001 0.000 0.261 428 M C 2.152 178.383 176.300 -0.115 0.000 1.066 428 M CA 1.626 56.746 55.300 -0.300 0.000 1.107 428 M CB -0.849 31.390 32.600 -0.602 0.000 1.356 428 M HN 0.242 nan 8.290 nan 0.000 0.406 429 K N 0.263 120.582 120.400 -0.136 0.000 2.001 429 K HA -0.068 4.253 4.320 0.001 0.000 0.208 429 K C 1.935 178.507 176.600 -0.046 0.000 1.048 429 K CA 1.211 57.447 56.287 -0.085 0.000 0.932 429 K CB -0.266 32.186 32.500 -0.079 0.000 0.715 429 K HN 0.219 nan 8.250 nan 0.000 0.437 430 I N 0.507 121.061 120.570 -0.027 0.000 2.185 430 I HA -0.330 3.841 4.170 0.001 0.000 0.246 430 I C 2.266 178.419 176.117 0.060 0.000 1.088 430 I CA 1.279 62.584 61.300 0.008 0.000 1.347 430 I CB -0.328 37.680 38.000 0.014 0.000 1.041 430 I HN 0.114 nan 8.210 nan 0.000 0.415 431 F N 2.028 121.920 119.950 -0.096 0.000 2.060 431 F HA -0.246 4.281 4.527 0.000 0.000 0.295 431 F C 2.880 178.632 175.800 -0.079 0.000 1.120 431 F CA 1.732 59.681 58.000 -0.085 0.000 1.205 431 F CB -0.800 38.141 39.000 -0.097 0.000 0.986 431 F HN 0.140 nan 8.300 nan 0.000 0.470 432 S N -0.307 115.248 115.700 -0.242 0.000 2.382 432 S HA -0.194 4.277 4.470 0.001 0.000 0.228 432 S C 1.770 176.235 174.600 -0.225 0.000 1.027 432 S CA 1.295 59.295 58.200 -0.333 0.000 0.991 432 S CB -0.848 62.234 63.200 -0.197 0.000 0.823 432 S HN 0.406 nan 8.310 nan 0.000 0.469 433 D N 2.065 122.384 120.400 -0.134 0.000 2.104 433 D HA -0.074 4.567 4.640 0.001 0.000 0.194 433 D C 1.985 178.227 176.300 -0.097 0.000 0.994 433 D CA 1.348 55.292 54.000 -0.094 0.000 0.830 433 D CB -0.310 40.455 40.800 -0.057 0.000 0.959 433 D HN 0.504 nan 8.370 nan 0.000 0.452 434 K N 0.048 120.392 120.400 -0.093 0.000 2.103 434 K HA -0.068 4.252 4.320 0.001 0.000 0.207 434 K C 2.282 178.811 176.600 -0.119 0.000 1.048 434 K CA 0.612 56.856 56.287 -0.071 0.000 0.930 434 K CB -0.078 32.418 32.500 -0.007 0.000 0.716 434 K HN 0.172 nan 8.250 nan 0.000 0.444 435 L N 0.066 121.149 121.223 -0.234 0.000 2.072 435 L HA -0.089 4.252 4.340 0.001 0.000 0.205 435 L C 2.568 179.348 176.870 -0.150 0.000 1.079 435 L CA 0.788 55.485 54.840 -0.240 0.000 0.752 435 L CB -0.576 41.224 42.059 -0.431 0.000 0.906 435 L HN 0.179 nan 8.230 nan 0.000 0.436 436 A N -0.363 122.370 122.820 -0.145 0.000 1.948 436 A HA -0.216 4.104 4.320 0.001 0.000 0.220 436 A C 2.431 179.976 177.584 -0.065 0.000 1.177 436 A CA 2.187 54.166 52.037 -0.095 0.000 0.636 436 A CB -0.593 18.355 19.000 -0.088 0.000 0.815 436 A HN 0.383 nan 8.150 nan 0.000 0.449 437 S N -0.788 114.875 115.700 -0.062 0.000 2.515 437 S HA 0.007 4.477 4.470 0.001 0.000 0.231 437 S C 1.315 175.897 174.600 -0.031 0.000 0.987 437 S CA 1.212 59.387 58.200 -0.041 0.000 0.936 437 S CB -0.394 62.785 63.200 -0.036 0.000 0.766 437 S HN 0.806 nan 8.310 nan 0.000 0.528 438 I N -1.029 119.522 120.570 -0.033 0.000 4.102 438 I HA 0.341 4.511 4.170 0.001 0.000 0.325 438 I C 0.168 176.277 176.117 -0.013 0.000 1.471 438 I CA -0.648 60.641 61.300 -0.020 0.000 1.133 438 I CB 0.374 38.366 38.000 -0.013 0.000 1.184 438 I HN 0.015 nan 8.210 nan 0.000 0.451 439 S N 1.959 117.647 115.700 -0.020 0.000 2.617 439 S HA 0.714 5.184 4.470 0.001 0.000 0.269 439 S C -0.241 174.355 174.600 -0.006 0.000 1.292 439 S CA -0.415 57.779 58.200 -0.010 0.000 1.010 439 S CB 1.115 64.300 63.200 -0.024 0.000 0.944 439 S HN 0.686 nan 8.310 nan 0.000 0.536 440 N N -1.282 117.419 118.700 0.002 0.000 3.261 440 N HA 0.182 4.922 4.740 0.001 0.000 0.248 440 N C 0.116 175.631 175.510 0.009 0.000 1.498 440 N CA -0.765 52.286 53.050 0.002 0.000 0.884 440 N CB 0.393 38.881 38.487 0.001 0.000 1.428 440 N HN 0.628 nan 8.380 nan 0.000 0.517 441 E N -0.489 119.716 120.200 0.009 0.000 2.118 441 E HA -0.267 4.083 4.350 0.001 0.000 0.195 441 E C 0.136 176.749 176.600 0.021 0.000 0.992 441 E CA 1.739 58.147 56.400 0.014 0.000 0.804 441 E CB -0.101 29.607 29.700 0.013 0.000 0.741 441 E HN 0.624 nan 8.360 nan 0.000 0.458 442 D N 0.182 120.593 120.400 0.018 0.000 2.117 442 D HA -0.138 4.502 4.640 0.001 0.000 0.198 442 D C 1.408 177.720 176.300 0.020 0.000 0.982 442 D CA 1.470 55.481 54.000 0.018 0.000 0.828 442 D CB -0.010 40.795 40.800 0.008 0.000 0.967 442 D HN 0.292 nan 8.370 nan 0.000 0.464 443 N N -0.780 117.935 118.700 0.026 0.000 2.184 443 N HA 0.004 4.745 4.740 0.001 0.000 0.206 443 N C 1.197 176.770 175.510 0.105 0.000 1.151 443 N CA -0.021 53.063 53.050 0.057 0.000 0.878 443 N CB -0.184 38.325 38.487 0.038 0.000 1.014 443 N HN 0.026 nan 8.380 nan 0.000 0.512 444 M N 0.523 120.158 119.600 0.059 0.000 2.080 444 M HA 0.040 4.520 4.480 0.001 0.000 0.260 444 M C 1.481 177.804 176.300 0.038 0.000 1.068 444 M CA 1.612 56.934 55.300 0.037 0.000 1.109 444 M CB -0.334 32.277 32.600 0.017 0.000 1.342 444 M HN 0.103 nan 8.290 nan 0.000 0.405 445 M N -1.172 118.462 119.600 0.056 0.000 2.229 445 M HA -0.097 4.383 4.480 0.001 0.000 0.264 445 M C 2.227 178.565 176.300 0.063 0.000 1.063 445 M CA 1.347 56.675 55.300 0.047 0.000 1.114 445 M CB -1.621 31.010 32.600 0.051 0.000 1.387 445 M HN 0.413 nan 8.290 nan 0.000 0.420 446 F N 1.437 121.366 119.950 -0.035 0.000 2.102 446 F HA -0.233 4.295 4.527 0.001 0.000 0.298 446 F C 2.107 177.873 175.800 -0.057 0.000 1.105 446 F CA 1.519 59.492 58.000 -0.046 0.000 1.239 446 F CB -0.188 38.781 39.000 -0.052 0.000 0.991 446 F HN -0.005 nan 8.300 nan 0.000 0.474 447 M N 0.197 119.767 119.600 -0.050 0.000 2.108 447 M HA -0.202 4.278 4.480 0.001 0.000 0.261 447 M C 2.269 178.430 176.300 -0.232 0.000 1.066 447 M CA 1.261 56.456 55.300 -0.177 0.000 1.107 447 M CB -1.240 31.325 32.600 -0.057 0.000 1.356 447 M HN 0.207 nan 8.290 nan 0.000 0.406 448 I N 0.008 120.490 120.570 -0.146 0.000 2.202 448 I HA -0.247 3.923 4.170 0.001 0.000 0.242 448 I C 2.112 178.149 176.117 -0.132 0.000 1.091 448 I CA 1.357 62.586 61.300 -0.118 0.000 1.368 448 I CB -1.029 36.933 38.000 -0.063 0.000 1.058 448 I HN 0.309 nan 8.210 nan 0.000 0.410 449 K N 0.204 120.513 120.400 -0.152 0.000 2.211 449 K HA -0.106 4.214 4.320 0.001 0.000 0.203 449 K C 1.856 178.350 176.600 -0.177 0.000 1.050 449 K CA 0.997 57.203 56.287 -0.134 0.000 0.945 449 K CB -0.010 32.426 32.500 -0.106 0.000 0.732 449 K HN 0.109 nan 8.250 nan 0.000 0.451 450 I N 0.517 120.888 120.570 -0.332 0.000 3.226 450 I HA -0.121 4.050 4.170 0.001 0.000 0.277 450 I C 1.721 177.799 176.117 -0.066 0.000 1.243 450 I CA 1.150 62.255 61.300 -0.325 0.000 1.459 450 I CB -0.076 37.444 38.000 -0.799 0.000 1.093 450 I HN 0.056 nan 8.210 nan 0.000 0.453 451 T N 0.921 115.410 114.554 -0.107 0.000 2.759 451 T HA -0.148 4.202 4.350 0.001 0.000 0.269 451 T C 1.445 176.259 174.700 0.190 0.000 1.042 451 T CA 1.354 63.429 62.100 -0.042 0.000 1.140 451 T CB -0.237 68.551 68.868 -0.133 0.000 0.864 451 T HN 0.268 nan 8.240 nan 0.000 0.455 452 N N 0.449 119.230 118.700 0.135 0.000 2.322 452 N HA 0.095 4.835 4.740 0.001 0.000 0.216 452 N C 0.838 176.465 175.510 0.195 0.000 1.144 452 N CA -0.101 53.048 53.050 0.165 0.000 0.830 452 N CB -0.057 38.491 38.487 0.102 0.000 1.034 452 N HN 0.437 nan 8.380 nan 0.000 0.484 453 Y N 1.720 122.077 120.300 0.095 0.000 2.096 453 Y HA -0.241 4.310 4.550 0.001 0.000 0.278 453 Y C 1.811 177.743 175.900 0.053 0.000 1.192 453 Y CA 1.728 59.847 58.100 0.032 0.000 1.143 453 Y CB -0.270 38.186 38.460 -0.007 0.000 0.963 453 Y HN 0.094 nan 8.280 nan 0.000 0.505 454 L N -0.192 121.108 121.223 0.128 0.000 2.456 454 L HA -0.155 4.186 4.340 0.001 0.000 0.224 454 L C 1.943 178.944 176.870 0.219 0.000 1.148 454 L CA 1.186 56.110 54.840 0.140 0.000 0.825 454 L CB -0.368 41.894 42.059 0.338 0.000 0.937 454 L HN 0.172 nan 8.230 nan 0.000 0.450 455 K N -0.618 119.888 120.400 0.176 0.000 2.379 455 K HA 0.116 4.436 4.320 0.001 0.000 0.194 455 K C 0.439 177.047 176.600 0.012 0.000 1.031 455 K CA -0.158 56.251 56.287 0.203 0.000 1.037 455 K CB 0.506 33.111 32.500 0.175 0.000 0.824 455 K HN -0.022 nan 8.250 nan 0.000 0.516 456 V N 1.745 121.556 119.914 -0.171 0.000 2.583 456 V HA -0.067 4.053 4.120 0.001 0.000 0.302 456 V C 1.436 177.178 176.094 -0.586 0.000 1.033 456 V CA 1.558 63.678 62.300 -0.300 0.000 1.194 456 V CB -0.072 31.550 31.823 -0.335 0.000 0.879 456 V HN 0.775 nan 8.190 nan 0.000 0.482 457 G N 4.191 112.740 108.800 -0.418 0.000 2.217 457 G HA2 -0.296 3.664 3.960 0.001 0.000 0.246 457 G HA3 -0.296 3.664 3.960 0.001 0.000 0.246 457 G C 0.273 174.975 174.900 -0.329 0.000 0.990 457 G CA 0.551 45.365 45.100 -0.477 0.000 0.627 457 G HN 0.640 nan 8.290 nan 0.000 0.522 458 F N 0.884 120.854 119.950 0.034 0.000 2.740 458 F HA 0.749 5.277 4.527 0.001 0.000 0.304 458 F C 1.290 177.152 175.800 0.103 0.000 1.098 458 F CA 0.009 58.048 58.000 0.065 0.000 1.258 458 F CB 0.410 39.411 39.000 0.001 0.000 1.061 458 F HN 0.540 nan 8.300 nan 0.000 0.598 459 A N 0.758 123.688 122.820 0.183 0.000 2.498 459 A HA 0.741 5.062 4.320 0.001 0.000 0.298 459 A C -2.627 174.930 177.584 -0.047 0.000 1.075 459 A CA -1.493 50.578 52.037 0.057 0.000 0.714 459 A CB 0.715 19.765 19.000 0.083 0.000 1.299 459 A HN -0.141 nan 8.150 nan 0.000 0.407 460 P HA 0.257 nan 4.420 nan 0.000 0.274 460 P C -0.931 176.346 177.300 -0.038 0.000 1.231 460 P CA 0.354 63.393 63.100 -0.103 0.000 0.790 460 P CB 0.394 32.002 31.700 -0.153 0.000 0.951 461 D N -0.875 119.514 120.400 -0.017 0.000 2.746 461 D HA -0.097 4.544 4.640 0.001 0.000 0.241 461 D C -0.711 175.588 176.300 -0.000 0.000 1.140 461 D CA 0.687 54.685 54.000 -0.002 0.000 0.707 461 D CB -1.254 39.549 40.800 0.005 0.000 1.034 461 D HN 0.069 nan 8.370 nan 0.000 0.423 462 V N 1.393 121.304 119.914 -0.005 0.000 2.448 462 V HA 0.368 4.488 4.120 0.001 0.000 0.295 462 V C 1.182 177.270 176.094 -0.010 0.000 1.025 462 V CA -0.618 61.679 62.300 -0.004 0.000 0.859 462 V CB 2.271 34.089 31.823 -0.009 0.000 0.988 462 V HN 0.065 nan 8.190 nan 0.000 0.431 463 R N 1.824 122.320 120.500 -0.006 0.000 2.472 463 R HA 0.213 4.553 4.340 0.001 0.000 0.279 463 R C 1.491 177.787 176.300 -0.008 0.000 0.953 463 R CA -0.008 56.088 56.100 -0.007 0.000 1.088 463 R CB 0.674 30.969 30.300 -0.008 0.000 1.197 463 R HN 0.660 nan 8.270 nan 0.000 0.536 464 S N 0.433 116.131 115.700 -0.003 0.000 2.368 464 S HA -0.092 4.378 4.470 0.001 0.000 0.224 464 S C 1.725 176.338 174.600 0.022 0.000 1.029 464 S CA 1.643 59.847 58.200 0.006 0.000 0.988 464 S CB -0.041 63.208 63.200 0.081 0.000 0.838 464 S HN 0.280 nan 8.310 nan 0.000 0.462 465 T N 2.977 117.549 114.554 0.030 0.000 2.665 465 T HA -0.069 4.281 4.350 0.001 0.000 0.268 465 T C 1.721 176.455 174.700 0.057 0.000 1.035 465 T CA 1.342 63.473 62.100 0.051 0.000 1.151 465 T CB -0.560 68.327 68.868 0.031 0.000 0.862 465 T HN 0.322 nan 8.240 nan 0.000 0.438 466 I N 1.663 122.257 120.570 0.040 0.000 2.315 466 I HA -0.195 3.975 4.170 0.001 0.000 0.251 466 I C 2.089 178.243 176.117 0.060 0.000 1.125 466 I CA 1.121 62.448 61.300 0.046 0.000 1.392 466 I CB -0.315 37.702 38.000 0.028 0.000 1.065 466 I HN 0.276 nan 8.210 nan 0.000 0.424 467 N N -0.195 118.539 118.700 0.057 0.000 2.325 467 N HA 0.132 4.872 4.740 0.001 0.000 0.182 467 N C 1.663 177.261 175.510 0.146 0.000 1.088 467 N CA 0.609 53.719 53.050 0.100 0.000 0.879 467 N CB 0.742 39.277 38.487 0.080 0.000 0.983 467 N HN 0.363 nan 8.380 nan 0.000 0.471 468 L N -0.164 121.102 121.223 0.072 0.000 2.362 468 L HA 0.101 4.441 4.340 0.001 0.000 0.204 468 L C 1.737 178.694 176.870 0.144 0.000 1.060 468 L CA 0.705 55.555 54.840 0.016 0.000 0.827 468 L CB 0.175 42.087 42.059 -0.246 0.000 1.027 468 L HN 0.105 nan 8.230 nan 0.000 0.474 469 S N -1.992 113.807 115.700 0.166 0.000 2.648 469 S HA 0.264 4.734 4.470 0.001 0.000 0.270 469 S C 0.839 175.530 174.600 0.152 0.000 1.080 469 S CA 0.159 58.469 58.200 0.183 0.000 1.159 469 S CB 0.335 63.675 63.200 0.233 0.000 1.091 469 S HN 0.180 nan 8.310 nan 0.000 0.605 470 G N 2.111 110.995 108.800 0.140 0.000 2.695 470 G HA2 0.516 4.477 3.960 0.001 0.000 0.213 470 G HA3 0.516 4.477 3.960 0.001 0.000 0.213 470 G C -1.847 173.179 174.900 0.210 0.000 1.406 470 G CA -1.302 43.890 45.100 0.154 0.000 1.049 470 G HN 0.093 nan 8.290 nan 0.000 0.573 471 P HA -0.162 nan 4.420 nan 0.000 0.218 471 P C 1.959 179.324 177.300 0.109 0.000 1.154 471 P CA 2.104 65.256 63.100 0.087 0.000 0.872 471 P CB -0.132 31.563 31.700 -0.007 0.000 0.790 472 G N -0.958 107.883 108.800 0.069 0.000 2.470 472 G HA2 -0.189 3.771 3.960 0.001 0.000 0.220 472 G HA3 -0.189 3.771 3.960 0.001 0.000 0.220 472 G C 1.525 176.413 174.900 -0.021 0.000 1.121 472 G CA 0.412 45.530 45.100 0.030 0.000 0.766 472 G HN 0.214 nan 8.290 nan 0.000 0.553 473 V N -0.404 119.495 119.914 -0.026 0.000 2.871 473 V HA -0.077 4.044 4.120 0.001 0.000 0.256 473 V C 2.225 178.076 176.094 -0.405 0.000 1.082 473 V CA 1.002 63.183 62.300 -0.198 0.000 1.105 473 V CB -0.573 31.114 31.823 -0.226 0.000 0.713 473 V HN 0.435 nan 8.190 nan 0.000 0.473 474 Y N 1.173 121.290 120.300 -0.304 0.000 2.206 474 Y HA -0.172 4.378 4.550 0.001 0.000 0.292 474 Y C 2.966 178.377 175.900 -0.815 0.000 1.123 474 Y CA 1.676 59.419 58.100 -0.594 0.000 1.142 474 Y CB -1.122 37.074 38.460 -0.440 0.000 1.006 474 Y HN 0.407 nan 8.280 nan 0.000 0.518 475 T N -2.628 111.790 114.554 -0.227 0.000 2.759 475 T HA -0.154 4.196 4.350 0.001 0.000 0.269 475 T C 2.309 176.914 174.700 -0.158 0.000 1.042 475 T CA 1.263 63.308 62.100 -0.091 0.000 1.140 475 T CB -1.189 67.679 68.868 -0.000 0.000 0.864 475 T HN 0.375 nan 8.240 nan 0.000 0.455 476 G N 1.645 110.329 108.800 -0.194 0.000 2.459 476 G HA2 -0.013 3.947 3.960 0.001 0.000 0.217 476 G HA3 -0.013 3.947 3.960 0.001 0.000 0.217 476 G C 1.991 176.757 174.900 -0.224 0.000 1.183 476 G CA 1.137 46.125 45.100 -0.187 0.000 0.776 476 G HN 0.770 nan 8.290 nan 0.000 0.552 477 A N 0.026 122.634 122.820 -0.352 0.000 1.908 477 A HA -0.037 4.283 4.320 0.001 0.000 0.218 477 A C 2.277 179.704 177.584 -0.263 0.000 1.181 477 A CA 1.831 53.655 52.037 -0.354 0.000 0.627 477 A CB -0.643 18.049 19.000 -0.512 0.000 0.818 477 A HN 0.418 nan 8.150 nan 0.000 0.445 478 Y N -0.476 119.653 120.300 -0.286 0.000 2.242 478 Y HA -0.160 4.391 4.550 0.001 0.000 0.291 478 Y C 2.594 178.386 175.900 -0.180 0.000 1.137 478 Y CA 1.060 58.923 58.100 -0.396 0.000 1.181 478 Y CB -1.069 37.029 38.460 -0.605 0.000 0.989 478 Y HN 0.501 nan 8.280 nan 0.000 0.527 479 Q N 0.288 120.082 119.800 -0.010 0.000 2.050 479 Q HA -0.190 4.150 4.340 0.001 0.000 0.202 479 Q C 1.627 177.613 176.000 -0.024 0.000 0.980 479 Q CA 1.768 57.541 55.803 -0.051 0.000 0.840 479 Q CB -0.042 28.614 28.738 -0.137 0.000 0.898 479 Q HN 0.333 nan 8.270 nan 0.000 0.424 480 D N 0.307 120.689 120.400 -0.029 0.000 2.116 480 D HA -0.207 4.434 4.640 0.001 0.000 0.193 480 D C 1.833 178.176 176.300 0.072 0.000 0.998 480 D CA 1.010 55.021 54.000 0.018 0.000 0.836 480 D CB -0.295 40.497 40.800 -0.012 0.000 0.951 480 D HN 0.207 nan 8.370 nan 0.000 0.449 481 L N 0.472 121.729 121.223 0.056 0.000 1.955 481 L HA -0.148 4.192 4.340 0.001 0.000 0.213 481 L C 2.303 179.157 176.870 -0.026 0.000 1.072 481 L CA 1.575 56.457 54.840 0.070 0.000 0.755 481 L CB -0.587 41.508 42.059 0.060 0.000 0.888 481 L HN 0.032 nan 8.230 nan 0.000 0.432 482 L N -1.233 119.963 121.223 -0.045 0.000 2.217 482 L HA -0.129 4.211 4.340 0.001 0.000 0.211 482 L C 1.803 178.438 176.870 -0.392 0.000 1.107 482 L CA 0.618 55.362 54.840 -0.160 0.000 0.783 482 L CB -0.405 41.671 42.059 0.029 0.000 0.919 482 L HN 0.345 nan 8.230 nan 0.000 0.442 483 M N -1.172 118.293 119.600 -0.226 0.000 2.383 483 M HA 0.185 4.666 4.480 0.001 0.000 0.247 483 M C -0.104 176.222 176.300 0.042 0.000 1.117 483 M CA -0.157 55.094 55.300 -0.081 0.000 0.995 483 M CB -0.266 32.397 32.600 0.104 0.000 1.480 483 M HN 0.056 nan 8.290 nan 0.000 0.485 484 F N 0.539 120.576 119.950 0.145 0.000 3.074 484 F HA -0.286 4.241 4.527 0.001 0.000 0.287 484 F C 0.423 176.282 175.800 0.098 0.000 0.932 484 F CA 0.470 58.536 58.000 0.110 0.000 0.995 484 F CB -1.957 37.030 39.000 -0.022 0.000 0.966 484 F HN 0.068 nan 8.300 nan 0.000 0.721 485 K N 0.035 120.559 120.400 0.206 0.000 2.303 485 K HA 0.560 4.880 4.320 0.001 0.000 0.233 485 K C 0.584 177.250 176.600 0.110 0.000 1.046 485 K CA -0.619 55.750 56.287 0.137 0.000 0.895 485 K CB 1.192 33.746 32.500 0.089 0.000 1.220 485 K HN -0.012 nan 8.250 nan 0.000 0.470 486 D N 0.011 120.446 120.400 0.058 0.000 2.538 486 D HA 0.014 4.654 4.640 0.001 0.000 0.241 486 D C 0.108 176.390 176.300 -0.029 0.000 1.297 486 D CA 0.189 54.200 54.000 0.019 0.000 0.804 486 D CB 0.563 41.381 40.800 0.030 0.000 1.122 486 D HN 0.515 nan 8.370 nan 0.000 0.519 487 N N -0.706 117.975 118.700 -0.032 0.000 2.167 487 N HA -0.022 4.719 4.740 0.001 0.000 0.234 487 N C -0.338 175.121 175.510 -0.084 0.000 1.312 487 N CA -0.224 52.786 53.050 -0.067 0.000 0.861 487 N CB -0.024 38.432 38.487 -0.052 0.000 1.217 487 N HN -0.331 nan 8.380 nan 0.000 0.504 488 S N 0.842 116.501 115.700 -0.069 0.000 2.811 488 S HA 0.045 4.516 4.470 0.001 0.000 0.325 488 S C 1.186 175.722 174.600 -0.107 0.000 1.224 488 S CA 0.851 59.008 58.200 -0.071 0.000 1.125 488 S CB 0.313 63.468 63.200 -0.075 0.000 0.867 488 S HN 0.621 nan 8.310 nan 0.000 0.512 489 T N -0.464 114.036 114.554 -0.090 0.000 3.019 489 T HA 0.148 4.498 4.350 0.001 0.000 0.247 489 T C 0.455 175.139 174.700 -0.028 0.000 0.992 489 T CA -0.284 61.759 62.100 -0.095 0.000 1.036 489 T CB -0.133 68.650 68.868 -0.143 0.000 1.063 489 T HN 0.410 nan 8.240 nan 0.000 0.476 490 N N 1.607 120.305 118.700 -0.004 0.000 2.521 490 N HA 0.374 5.115 4.740 0.001 0.000 0.236 490 N C -1.242 174.284 175.510 0.027 0.000 1.067 490 N CA -0.764 52.304 53.050 0.030 0.000 0.939 490 N CB -0.251 38.268 38.487 0.053 0.000 1.201 490 N HN 0.320 nan 8.380 nan 0.000 0.511 491 I N 4.188 124.759 120.570 0.003 0.000 2.396 491 I HA 0.060 4.230 4.170 0.001 0.000 0.289 491 I C 1.694 177.816 176.117 0.007 0.000 1.056 491 I CA 0.024 61.293 61.300 -0.052 0.000 1.365 491 I CB 0.647 38.626 38.000 -0.036 0.000 1.407 491 I HN 0.626 nan 8.210 nan 0.000 0.509 492 H N 5.865 124.963 119.070 0.048 0.000 2.827 492 H HA 0.331 4.887 4.556 0.001 0.000 0.269 492 H C 0.290 175.656 175.328 0.063 0.000 1.031 492 H CA -0.447 55.631 56.048 0.050 0.000 1.202 492 H CB 0.189 29.977 29.762 0.042 0.000 1.511 492 H HN 0.329 nan 8.280 nan 0.000 0.517 493 L N 2.484 123.636 121.223 -0.118 0.000 2.490 493 L HA 0.122 4.462 4.340 0.001 0.000 0.274 493 L C 0.044 176.974 176.870 0.100 0.000 1.201 493 L CA 0.147 55.004 54.840 0.028 0.000 0.869 493 L CB 0.894 42.955 42.059 0.003 0.000 1.123 493 L HN 0.150 nan 8.230 nan 0.000 0.484 494 L N 2.262 123.562 121.223 0.129 0.000 2.365 494 L HA 0.256 4.596 4.340 0.001 0.000 0.267 494 L C 1.414 178.370 176.870 0.143 0.000 1.033 494 L CA -0.516 54.398 54.840 0.124 0.000 0.802 494 L CB 1.183 43.307 42.059 0.108 0.000 1.267 494 L HN 0.622 nan 8.230 nan 0.000 0.457 495 E N 1.081 121.368 120.200 0.144 0.000 2.070 495 E HA -0.196 4.154 4.350 0.001 0.000 0.197 495 E C -0.910 175.763 176.600 0.121 0.000 1.004 495 E CA 1.675 58.182 56.400 0.179 0.000 0.805 495 E CB -0.587 29.207 29.700 0.157 0.000 0.744 495 E HN 0.518 nan 8.360 nan 0.000 0.451 496 P HA -0.167 nan 4.420 nan 0.000 0.218 496 P C 0.516 177.834 177.300 0.030 0.000 1.148 496 P CA 1.550 64.664 63.100 0.024 0.000 0.822 496 P CB -0.061 31.655 31.700 0.027 0.000 0.784 497 E N -0.745 119.504 120.200 0.080 0.000 2.158 497 E HA -0.030 4.321 4.350 0.001 0.000 0.191 497 E C 1.920 178.618 176.600 0.165 0.000 0.982 497 E CA 0.647 57.104 56.400 0.094 0.000 0.823 497 E CB -0.557 29.218 29.700 0.126 0.000 0.766 497 E HN 0.264 nan 8.360 nan 0.000 0.468 498 L N 0.759 122.129 121.223 0.246 0.000 2.291 498 L HA -0.052 4.288 4.340 0.001 0.000 0.214 498 L C 2.371 179.504 176.870 0.439 0.000 1.120 498 L CA 0.574 55.668 54.840 0.424 0.000 0.799 498 L CB -0.165 42.181 42.059 0.479 0.000 0.925 498 L HN 0.014 nan 8.230 nan 0.000 0.446 499 R N 0.046 120.612 120.500 0.109 0.000 2.235 499 R HA -0.041 4.300 4.340 0.001 0.000 0.213 499 R C 1.567 177.772 176.300 -0.158 0.000 1.059 499 R CA 0.397 56.378 56.100 -0.198 0.000 0.997 499 R CB -0.387 29.717 30.300 -0.327 0.000 0.884 499 R HN 0.489 nan 8.270 nan 0.000 0.462 500 N N 0.367 118.943 118.700 -0.207 0.000 2.348 500 N HA -0.148 4.592 4.740 0.001 0.000 0.185 500 N C 0.561 175.691 175.510 -0.633 0.000 1.019 500 N CA 1.203 53.971 53.050 -0.471 0.000 0.880 500 N CB -0.040 38.034 38.487 -0.689 0.000 0.965 500 N HN 0.193 nan 8.380 nan 0.000 0.437 501 F N 0.912 120.790 119.950 -0.119 0.000 2.639 501 F HA 0.175 4.702 4.527 0.001 0.000 0.302 501 F C 0.758 176.612 175.800 0.091 0.000 1.097 501 F CA -0.649 57.271 58.000 -0.134 0.000 1.294 501 F CB -0.068 38.589 39.000 -0.572 0.000 1.027 501 F HN -0.077 nan 8.300 nan 0.000 0.550 502 E N 0.672 121.016 120.200 0.240 0.000 2.360 502 E HA 0.028 4.378 4.350 0.001 0.000 0.269 502 E C -0.342 176.418 176.600 0.267 0.000 1.022 502 E CA -0.735 55.866 56.400 0.335 0.000 0.887 502 E CB 0.746 30.462 29.700 0.028 0.000 0.990 502 E HN 0.189 nan 8.360 nan 0.000 0.426 503 F N 4.356 124.432 119.950 0.210 0.000 2.623 503 F HA 0.008 4.536 4.527 0.001 0.000 0.383 503 F C -1.589 174.274 175.800 0.104 0.000 1.077 503 F CA -1.498 56.588 58.000 0.143 0.000 1.268 503 F CB 0.482 39.569 39.000 0.146 0.000 1.053 503 F HN 0.427 nan 8.300 nan 0.000 0.571 504 P HA -0.068 nan 4.420 nan 0.000 0.257 504 P C -0.181 177.281 177.300 0.269 0.000 1.189 504 P CA 0.307 63.467 63.100 0.099 0.000 0.780 504 P CB 0.501 32.186 31.700 -0.025 0.000 0.772 505 K N 1.775 122.294 120.400 0.199 0.000 2.127 505 K HA -0.168 4.152 4.320 0.001 0.000 0.208 505 K C 1.846 178.553 176.600 0.179 0.000 1.047 505 K CA 2.260 58.661 56.287 0.189 0.000 0.927 505 K CB -0.733 31.837 32.500 0.117 0.000 0.716 505 K HN 0.568 nan 8.250 nan 0.000 0.450 506 T N -1.070 113.572 114.554 0.147 0.000 3.072 506 T HA -0.018 4.333 4.350 0.001 0.000 0.266 506 T C 1.392 176.179 174.700 0.146 0.000 1.127 506 T CA 0.738 62.911 62.100 0.123 0.000 1.107 506 T CB 0.048 68.967 68.868 0.085 0.000 0.910 506 T HN 0.106 nan 8.240 nan 0.000 0.513 507 K N 0.378 120.912 120.400 0.225 0.000 2.437 507 K HA 0.534 4.855 4.320 0.001 0.000 0.205 507 K C -0.287 176.549 176.600 0.393 0.000 1.026 507 K CA -0.170 56.284 56.287 0.277 0.000 1.153 507 K CB 0.334 32.992 32.500 0.265 0.000 0.863 507 K HN 0.452 nan 8.250 nan 0.000 0.502 508 I N -0.496 120.236 120.570 0.269 0.000 2.842 508 I HA 0.135 4.305 4.170 0.001 0.000 0.297 508 I C -1.575 174.600 176.117 0.097 0.000 1.380 508 I CA -0.519 60.896 61.300 0.192 0.000 1.018 508 I CB 2.482 40.477 38.000 -0.009 0.000 1.311 508 I HN -0.214 nan 8.210 nan 0.000 0.439 509 S N 5.318 121.055 115.700 0.062 0.000 2.594 509 S HA 0.328 4.799 4.470 0.001 0.000 0.322 509 S C 0.168 174.819 174.600 0.085 0.000 1.085 509 S CA -0.533 57.704 58.200 0.062 0.000 1.116 509 S CB 1.637 64.854 63.200 0.029 0.000 0.979 509 S HN 0.661 nan 8.310 nan 0.000 0.465 510 Q N 1.866 121.718 119.800 0.086 0.000 2.354 510 Q HA 0.240 4.581 4.340 0.001 0.000 0.203 510 Q C 0.302 176.373 176.000 0.118 0.000 0.933 510 Q CA 0.599 56.458 55.803 0.092 0.000 0.901 510 Q CB 0.019 28.796 28.738 0.065 0.000 1.007 510 Q HN 0.597 nan 8.270 nan 0.000 0.495 511 L N 2.714 124.008 121.223 0.120 0.000 2.873 511 L HA 0.121 4.461 4.340 0.001 0.000 0.236 511 L C 0.413 177.382 176.870 0.165 0.000 1.375 511 L CA -0.417 54.501 54.840 0.130 0.000 1.239 511 L CB -0.597 41.534 42.059 0.120 0.000 1.603 511 L HN 0.143 nan 8.230 nan 0.000 0.430 512 T N -4.958 109.717 114.554 0.201 0.000 2.874 512 T HA 0.106 4.456 4.350 0.001 0.000 0.281 512 T C 1.098 175.940 174.700 0.237 0.000 0.994 512 T CA -0.629 61.646 62.100 0.291 0.000 1.015 512 T CB 1.884 70.982 68.868 0.383 0.000 1.028 512 T HN 0.418 nan 8.240 nan 0.000 0.523 513 E N 0.334 120.630 120.200 0.161 0.000 2.070 513 E HA -0.317 4.033 4.350 0.001 0.000 0.197 513 E C 2.004 178.623 176.600 0.032 0.000 1.004 513 E CA 1.550 57.910 56.400 -0.067 0.000 0.805 513 E CB -0.180 29.199 29.700 -0.535 0.000 0.744 513 E HN 0.737 nan 8.360 nan 0.000 0.451 514 Q N 0.870 120.733 119.800 0.106 0.000 2.084 514 Q HA -0.227 4.113 4.340 0.001 0.000 0.202 514 Q C 1.856 177.904 176.000 0.080 0.000 0.978 514 Q CA 2.221 58.040 55.803 0.027 0.000 0.844 514 Q CB -0.228 28.407 28.738 -0.171 0.000 0.898 514 Q HN 0.338 nan 8.270 nan 0.000 0.426 515 E N -0.428 119.860 120.200 0.147 0.000 2.072 515 E HA -0.130 4.220 4.350 0.001 0.000 0.191 515 E C 1.627 178.302 176.600 0.125 0.000 0.985 515 E CA 1.249 57.730 56.400 0.135 0.000 0.801 515 E CB -0.338 29.453 29.700 0.151 0.000 0.750 515 E HN 0.393 nan 8.360 nan 0.000 0.452 516 I N 1.123 121.773 120.570 0.134 0.000 2.163 516 I HA -0.258 3.912 4.170 0.001 0.000 0.243 516 I C 2.253 178.514 176.117 0.240 0.000 1.085 516 I CA 1.709 63.102 61.300 0.155 0.000 1.347 516 I CB -1.730 36.361 38.000 0.153 0.000 1.044 516 I HN 0.195 nan 8.210 nan 0.000 0.408 517 T N 0.911 115.579 114.554 0.189 0.000 2.665 517 T HA -0.183 4.167 4.350 0.001 0.000 0.268 517 T C 1.960 176.787 174.700 0.211 0.000 1.035 517 T CA 2.177 64.387 62.100 0.183 0.000 1.151 517 T CB -0.354 68.553 68.868 0.065 0.000 0.862 517 T HN 0.555 nan 8.240 nan 0.000 0.438 518 S N 0.716 116.509 115.700 0.155 0.000 2.515 518 S HA 0.057 4.527 4.470 0.001 0.000 0.231 518 S C 1.537 176.223 174.600 0.144 0.000 0.987 518 S CA 0.181 58.465 58.200 0.140 0.000 0.936 518 S CB -0.327 62.941 63.200 0.113 0.000 0.766 518 S HN 0.313 nan 8.310 nan 0.000 0.528 519 L N 0.506 121.817 121.223 0.145 0.000 2.653 519 L HA 0.535 4.876 4.340 0.001 0.000 0.232 519 L C -0.348 176.492 176.870 -0.050 0.000 1.169 519 L CA -0.520 54.337 54.840 0.029 0.000 0.951 519 L CB -0.489 41.547 42.059 -0.037 0.000 1.181 519 L HN 0.367 nan 8.230 nan 0.000 0.460 526 R N 0.550 121.094 120.500 0.074 0.000 2.518 526 R HA 0.635 4.976 4.340 0.001 0.000 0.296 526 R C -0.623 175.677 176.300 0.000 0.000 1.080 526 R CA 0.113 56.233 56.100 0.033 0.000 0.922 526 R CB 1.446 31.763 30.300 0.028 0.000 1.184 526 R HN 0.673 nan 8.270 nan 0.000 0.445 527 A N 4.398 127.217 122.820 -0.002 0.000 2.316 527 A HA 0.205 4.526 4.320 0.001 0.000 0.311 527 A C 0.576 178.135 177.584 -0.040 0.000 1.339 527 A CA -0.555 51.468 52.037 -0.023 0.000 0.960 527 A CB 0.255 19.259 19.000 0.006 0.000 1.152 527 A HN 0.904 nan 8.150 nan 0.000 0.547 528 K N 1.447 121.747 120.400 -0.167 0.000 2.404 528 K HA 0.004 4.324 4.320 0.001 0.000 0.194 528 K C 1.184 177.775 176.600 -0.014 0.000 1.023 528 K CA 1.022 57.164 56.287 -0.243 0.000 1.094 528 K CB 0.182 32.061 32.500 -1.036 0.000 0.841 528 K HN 0.546 nan 8.250 nan 0.000 0.523 529 S N 0.852 116.531 115.700 -0.035 0.000 2.428 529 S HA -0.139 4.331 4.470 0.001 0.000 0.230 529 S C 1.948 176.517 174.600 -0.053 0.000 1.014 529 S CA 0.552 58.729 58.200 -0.038 0.000 0.957 529 S CB -0.201 62.959 63.200 -0.067 0.000 0.784 529 S HN 0.419 nan 8.310 nan 0.000 0.499 530 Q N -0.272 119.509 119.800 -0.031 0.000 2.230 530 Q HA 0.077 4.418 4.340 0.001 0.000 0.202 530 Q C 1.714 177.573 176.000 -0.236 0.000 0.963 530 Q CA 1.097 56.790 55.803 -0.185 0.000 0.866 530 Q CB -0.294 28.374 28.738 -0.117 0.000 0.931 530 Q HN 0.684 nan 8.270 nan 0.000 0.452 531 F N 1.852 121.766 119.950 -0.059 0.000 2.134 531 F HA -0.159 4.367 4.527 -0.001 0.000 0.299 531 F C 1.608 177.327 175.800 -0.136 0.000 1.097 531 F CA 1.574 59.511 58.000 -0.104 0.000 1.264 531 F CB 0.056 39.098 39.000 0.070 0.000 1.001 531 F HN 0.005 nan 8.300 nan 0.000 0.479 532 E N -0.133 119.941 120.200 -0.211 0.000 2.072 532 E HA -0.233 4.117 4.350 0.001 0.000 0.191 532 E C 2.160 178.620 176.600 -0.235 0.000 0.985 532 E CA 1.230 57.469 56.400 -0.269 0.000 0.801 532 E CB -0.399 29.238 29.700 -0.106 0.000 0.750 532 E HN 0.556 nan 8.360 nan 0.000 0.452 533 E N 0.059 120.127 120.200 -0.220 0.000 2.110 533 E HA -0.202 4.149 4.350 0.001 0.000 0.193 533 E C 1.584 178.092 176.600 -0.153 0.000 0.988 533 E CA 0.941 57.218 56.400 -0.205 0.000 0.804 533 E CB 0.051 29.591 29.700 -0.266 0.000 0.745 533 E HN 0.289 nan 8.360 nan 0.000 0.458 534 Y N 0.725 120.937 120.300 -0.145 0.000 2.220 534 Y HA -0.087 4.463 4.550 0.000 0.000 0.291 534 Y C 2.221 178.052 175.900 -0.115 0.000 1.129 534 Y CA 1.003 59.024 58.100 -0.132 0.000 1.161 534 Y CB -0.203 38.124 38.460 -0.221 0.000 0.997 534 Y HN -0.055 nan 8.280 nan 0.000 0.522 535 K N 0.189 120.516 120.400 -0.122 0.000 2.097 535 K HA -0.131 4.190 4.320 0.001 0.000 0.205 535 K C 1.866 178.480 176.600 0.023 0.000 1.050 535 K CA 1.159 57.364 56.287 -0.137 0.000 0.938 535 K CB -0.117 32.173 32.500 -0.349 0.000 0.718 535 K HN 0.176 nan 8.250 nan 0.000 0.442 536 K N 0.048 120.446 120.400 -0.003 0.000 2.442 536 K HA -0.051 4.269 4.320 0.001 0.000 0.198 536 K C 1.571 178.241 176.600 0.118 0.000 1.042 536 K CA 0.830 57.145 56.287 0.047 0.000 0.958 536 K CB 0.082 32.577 32.500 -0.008 0.000 0.766 536 K HN 0.211 nan 8.250 nan 0.000 0.474 537 G N -0.642 108.241 108.800 0.139 0.000 3.210 537 G HA2 -0.120 3.840 3.960 0.001 0.000 0.220 537 G HA3 -0.120 3.840 3.960 0.001 0.000 0.220 537 G C 0.474 175.384 174.900 0.016 0.000 1.200 537 G CA 0.083 45.236 45.100 0.089 0.000 0.834 537 G HN 0.286 nan 8.290 nan 0.000 0.524 538 Y N -2.215 118.116 120.300 0.052 0.000 2.500 538 Y HA 0.345 4.897 4.550 0.003 0.000 0.246 538 Y C 1.426 177.389 175.900 0.105 0.000 1.146 538 Y CA -0.637 57.495 58.100 0.054 0.000 1.230 538 Y CB 0.586 39.070 38.460 0.040 0.000 1.214 538 Y HN 0.238 nan 8.280 nan 0.000 0.526 539 F N 0.021 120.018 119.950 0.078 0.000 2.694 539 F HA 0.232 4.759 4.527 0.000 0.000 0.292 539 F C 1.610 177.410 175.800 0.000 0.000 1.121 539 F CA 0.490 58.510 58.000 0.034 0.000 1.352 539 F CB 0.648 39.663 39.000 0.024 0.000 1.107 539 F HN -0.205 nan 8.300 nan 0.000 0.597 540 E N 1.209 121.448 120.200 0.066 0.000 2.445 540 E HA 0.254 4.604 4.350 0.001 0.000 0.189 540 E C 1.059 177.610 176.600 -0.082 0.000 1.069 540 E CA 0.591 56.987 56.400 -0.006 0.000 0.871 540 E CB -0.457 29.266 29.700 0.038 0.000 0.991 540 E HN 0.444 nan 8.360 nan 0.000 0.481 541 G N 0.000 108.725 108.800 -0.125 0.000 5.446 541 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 541 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 541 G CA 0.000 45.022 45.100 -0.130 0.000 0.502 541 G HN 0.000 nan 8.290 nan 0.000 0.925