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 2jiz_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.844 174.700 0.240 0.000 1.109 9 T CA 0.000 62.193 62.100 0.154 0.000 1.349 9 T CB 0.000 68.935 68.868 0.112 0.000 0.612 10 T N 1.230 115.883 114.554 0.166 0.000 2.758 10 T HA 0.658 5.009 4.350 0.000 0.000 0.285 10 T C 0.087 174.695 174.700 -0.154 0.000 0.981 10 T CA 0.187 62.314 62.100 0.046 0.000 0.965 10 T CB 0.469 69.335 68.868 -0.005 0.000 0.927 10 T HN 0.879 nan 8.240 nan 0.000 0.448 11 G N 3.722 112.195 108.800 -0.546 0.000 2.552 11 G HA2 0.737 4.697 3.960 0.000 0.000 0.324 11 G HA3 0.737 4.697 3.960 0.000 0.000 0.324 11 G C -1.080 173.486 174.900 -0.555 0.000 1.217 11 G CA -0.966 43.461 45.100 -1.123 0.000 0.989 11 G HN 0.778 nan 8.290 nan 0.000 0.490 12 R N -0.628 119.594 120.500 -0.464 0.000 2.686 12 R HA 0.370 4.710 4.340 0.000 0.000 0.283 12 R C -0.571 175.610 176.300 -0.198 0.000 0.978 12 R CA -0.823 55.128 56.100 -0.249 0.000 0.897 12 R CB 2.526 32.726 30.300 -0.166 0.000 1.192 12 R HN 0.373 nan 8.270 nan 0.000 0.457 13 I N 3.085 123.576 120.570 -0.131 0.000 2.598 13 I HA -0.078 4.092 4.170 0.000 0.000 0.284 13 I C 1.494 177.571 176.117 -0.067 0.000 1.140 13 I CA 0.156 61.406 61.300 -0.084 0.000 1.420 13 I CB 0.920 38.885 38.000 -0.057 0.000 1.387 13 I HN 0.570 nan 8.210 nan 0.000 0.553 14 V N 3.035 122.918 119.914 -0.052 0.000 3.645 14 V HA 0.600 4.720 4.120 0.000 0.000 0.275 14 V C 0.534 176.614 176.094 -0.024 0.000 1.356 14 V CA 0.327 62.605 62.300 -0.038 0.000 1.051 14 V CB 0.132 31.934 31.823 -0.034 0.000 0.828 14 V HN 0.739 nan 8.190 nan 0.000 0.441 15 A N -0.263 122.545 122.820 -0.020 0.000 2.577 15 A HA 0.789 5.109 4.320 0.000 0.000 0.297 15 A C -1.324 176.255 177.584 -0.009 0.000 1.060 15 A CA -0.341 51.689 52.037 -0.012 0.000 0.697 15 A CB 2.059 21.055 19.000 -0.006 0.000 1.281 15 A HN 0.571 nan 8.150 nan 0.000 0.402 16 V N 2.292 122.201 119.914 -0.008 0.000 2.569 16 V HA 0.663 4.783 4.120 0.000 0.000 0.301 16 V C -1.216 174.875 176.094 -0.004 0.000 1.044 16 V CA -0.265 62.032 62.300 -0.006 0.000 0.874 16 V CB 1.543 33.361 31.823 -0.008 0.000 1.002 16 V HN 0.954 nan 8.190 nan 0.000 0.424 17 I N 4.624 125.192 120.570 -0.003 0.000 2.497 17 I HA 0.794 4.964 4.170 0.000 0.000 0.284 17 I C 0.664 176.779 176.117 -0.003 0.000 1.060 17 I CA 1.126 62.424 61.300 -0.003 0.000 1.071 17 I CB 1.155 39.153 38.000 -0.003 0.000 1.216 17 I HN 0.903 nan 8.210 nan 0.000 0.442 18 G N 5.848 114.646 108.800 -0.004 0.000 2.684 18 G HA2 -0.344 3.616 3.960 0.000 0.000 0.332 18 G HA3 -0.344 3.616 3.960 0.000 0.000 0.332 18 G C 0.981 175.879 174.900 -0.002 0.000 1.306 18 G CA 0.902 46.000 45.100 -0.004 0.000 1.002 18 G HN 1.614 nan 8.290 nan 0.000 0.545 19 A N -0.978 121.840 122.820 -0.003 0.000 2.168 19 A HA 0.490 4.810 4.320 0.000 0.000 0.215 19 A C 1.157 178.743 177.584 0.004 0.000 1.152 19 A CA 1.701 53.738 52.037 0.000 0.000 0.716 19 A CB -0.050 18.948 19.000 -0.003 0.000 0.794 19 A HN 1.274 nan 8.150 nan 0.000 0.465 20 V N 1.215 121.130 119.914 0.003 0.000 2.364 20 V HA 0.364 4.484 4.120 0.000 0.000 0.272 20 V C -0.573 175.525 176.094 0.008 0.000 1.036 20 V CA -0.290 62.014 62.300 0.007 0.000 0.880 20 V CB 1.220 33.046 31.823 0.005 0.000 0.991 20 V HN 0.103 nan 8.190 nan 0.000 0.460 21 V N 4.288 124.210 119.914 0.014 0.000 2.531 21 V HA 0.479 4.599 4.120 0.000 0.000 0.301 21 V C -0.719 175.387 176.094 0.020 0.000 1.034 21 V CA -0.840 61.467 62.300 0.012 0.000 0.865 21 V CB 2.099 33.929 31.823 0.011 0.000 0.995 21 V HN 0.759 nan 8.190 nan 0.000 0.424 22 D N 3.157 123.565 120.400 0.012 0.000 2.177 22 D HA 0.598 5.238 4.640 0.000 0.000 0.247 22 D C -0.564 175.738 176.300 0.005 0.000 1.063 22 D CA -0.039 53.972 54.000 0.018 0.000 0.867 22 D CB 2.242 43.049 40.800 0.011 0.000 1.168 22 D HN 0.277 nan 8.370 nan 0.000 0.445 23 V N 2.253 122.183 119.914 0.026 0.000 2.531 23 V HA 0.287 4.407 4.120 0.000 0.000 0.301 23 V C -0.135 175.949 176.094 -0.018 0.000 1.034 23 V CA -0.923 61.357 62.300 -0.032 0.000 0.865 23 V CB 1.877 33.694 31.823 -0.010 0.000 0.995 23 V HN 0.398 nan 8.190 nan 0.000 0.424 24 Q N 3.147 122.867 119.800 -0.134 0.000 2.257 24 Q HA 0.602 4.942 4.340 0.000 0.000 0.255 24 Q C -1.852 174.017 176.000 -0.218 0.000 0.920 24 Q CA -0.436 55.322 55.803 -0.075 0.000 0.927 24 Q CB 1.191 29.891 28.738 -0.063 0.000 1.229 24 Q HN 0.635 nan 8.270 nan 0.000 0.433 25 F N 3.117 123.034 119.950 -0.055 0.000 2.427 25 F HA 0.209 4.735 4.527 -0.001 0.000 0.348 25 F C 0.634 176.409 175.800 -0.043 0.000 1.125 25 F CA -0.735 57.235 58.000 -0.049 0.000 0.989 25 F CB 1.605 40.568 39.000 -0.061 0.000 1.165 25 F HN 0.664 nan 8.300 nan 0.000 0.442 26 D N 1.620 122.075 120.400 0.093 0.000 2.092 26 D HA -0.114 4.526 4.640 0.000 0.000 0.193 26 D C 0.251 176.592 176.300 0.068 0.000 0.994 26 D CA 1.694 55.727 54.000 0.055 0.000 0.828 26 D CB 0.228 41.041 40.800 0.023 0.000 0.963 26 D HN 0.555 nan 8.370 nan 0.000 0.450 27 E N -2.009 118.246 120.200 0.092 0.000 2.312 27 E HA 0.552 4.902 4.350 0.000 0.000 0.267 27 E C -0.388 176.255 176.600 0.072 0.000 0.894 27 E CA -0.533 55.905 56.400 0.064 0.000 0.773 27 E CB 2.269 31.995 29.700 0.042 0.000 1.241 27 E HN 0.082 nan 8.360 nan 0.000 0.432 28 G N 1.932 110.738 108.800 0.011 0.000 2.460 28 G HA2 -0.243 3.717 3.960 0.000 0.000 0.259 28 G HA3 -0.243 3.717 3.960 0.000 0.000 0.259 28 G C -0.753 174.046 174.900 -0.167 0.000 0.959 28 G CA -0.278 44.794 45.100 -0.047 0.000 1.330 28 G HN 0.265 nan 8.290 nan 0.000 0.451 29 L N 4.842 125.949 121.223 -0.193 0.000 2.360 29 L HA 0.462 4.802 4.340 0.000 0.000 0.276 29 L C -1.021 175.625 176.870 -0.373 0.000 1.121 29 L CA -1.699 52.913 54.840 -0.379 0.000 0.845 29 L CB 0.462 42.336 42.059 -0.308 0.000 1.143 29 L HN 0.362 nan 8.230 nan 0.000 0.452 30 P HA 0.169 nan 4.420 nan 0.000 0.271 30 P C -2.644 174.640 177.300 -0.028 0.000 1.226 30 P CA -1.177 61.730 63.100 -0.322 0.000 0.765 30 P CB 0.008 31.444 31.700 -0.440 0.000 0.835 31 P HA 0.054 nan 4.420 nan 0.000 0.270 31 P C 0.546 177.859 177.300 0.021 0.000 1.227 31 P CA 0.105 63.229 63.100 0.039 0.000 0.788 31 P CB 0.602 32.279 31.700 -0.037 0.000 0.926 32 I N 1.809 122.324 120.570 -0.093 0.000 2.752 32 I HA -0.117 4.053 4.170 0.000 0.000 0.287 32 I C 1.602 177.654 176.117 -0.109 0.000 1.188 32 I CA 0.524 61.764 61.300 -0.100 0.000 1.427 32 I CB -0.342 37.555 38.000 -0.171 0.000 1.365 32 I HN 0.436 nan 8.210 nan 0.000 0.585 33 L N 1.834 122.987 121.223 -0.116 0.000 4.800 33 L HA -0.256 4.084 4.340 0.000 0.000 0.400 33 L C 0.271 177.096 176.870 -0.076 0.000 0.857 33 L CA 0.148 54.879 54.840 -0.182 0.000 1.908 33 L CB -1.565 40.295 42.059 -0.332 0.000 1.598 33 L HN 0.689 nan 8.230 nan 0.000 0.593 34 N N 1.174 119.848 118.700 -0.042 0.000 2.441 34 N HA 0.453 5.193 4.740 0.000 0.000 0.251 34 N C 0.262 175.776 175.510 0.008 0.000 1.242 34 N CA 0.957 53.996 53.050 -0.018 0.000 0.898 34 N CB 0.810 39.276 38.487 -0.034 0.000 1.100 34 N HN 0.310 nan 8.380 nan 0.000 0.443 35 A N 2.608 125.439 122.820 0.017 0.000 2.289 35 A HA 0.524 4.844 4.320 0.000 0.000 0.298 35 A C -0.325 177.278 177.584 0.032 0.000 1.208 35 A CA -0.548 51.507 52.037 0.029 0.000 0.845 35 A CB -0.004 19.011 19.000 0.025 0.000 1.125 35 A HN 0.614 nan 8.150 nan 0.000 0.517 36 L N 2.256 123.511 121.223 0.052 0.000 2.325 36 L HA 0.485 4.825 4.340 0.000 0.000 0.278 36 L C -0.204 176.699 176.870 0.055 0.000 1.023 36 L CA -0.769 54.118 54.840 0.079 0.000 0.811 36 L CB 1.560 43.702 42.059 0.138 0.000 1.249 36 L HN 0.591 nan 8.230 nan 0.000 0.431 37 E N 2.726 122.956 120.200 0.050 0.000 2.113 37 E HA 0.288 4.638 4.350 0.000 0.000 0.273 37 E C -0.727 175.886 176.600 0.023 0.000 0.924 37 E CA -0.618 55.798 56.400 0.027 0.000 0.764 37 E CB 2.277 31.987 29.700 0.015 0.000 1.104 37 E HN 0.203 nan 8.360 nan 0.000 0.406 38 V N 4.020 123.942 119.914 0.013 0.000 2.572 38 V HA -0.029 4.092 4.120 0.000 0.000 0.291 38 V C 0.756 176.847 176.094 -0.005 0.000 1.039 38 V CA -0.317 61.983 62.300 -0.000 0.000 1.055 38 V CB 0.577 32.399 31.823 -0.003 0.000 0.969 38 V HN 0.484 nan 8.190 nan 0.000 0.482 39 Q N 2.424 122.216 119.800 -0.013 0.000 2.317 39 Q HA 0.410 4.750 4.340 0.000 0.000 0.229 39 Q C 1.210 177.201 176.000 -0.015 0.000 0.984 39 Q CA 0.433 56.228 55.803 -0.013 0.000 0.911 39 Q CB 0.912 29.639 28.738 -0.018 0.000 1.217 39 Q HN 1.171 nan 8.270 nan 0.000 0.501 40 G N 1.468 110.261 108.800 -0.012 0.000 2.221 40 G HA2 -0.232 3.728 3.960 0.000 0.000 0.265 40 G HA3 -0.232 3.728 3.960 0.000 0.000 0.265 40 G C -0.200 174.694 174.900 -0.009 0.000 1.041 40 G CA 0.073 45.166 45.100 -0.011 0.000 0.807 40 G HN 0.289 nan 8.290 nan 0.000 0.502 41 R N -0.572 119.924 120.500 -0.007 0.000 2.711 41 R HA 0.448 4.788 4.340 0.000 0.000 0.284 41 R C 1.110 177.407 176.300 -0.004 0.000 0.968 41 R CA -0.629 55.467 56.100 -0.006 0.000 0.924 41 R CB 1.098 31.395 30.300 -0.004 0.000 1.162 41 R HN 0.397 nan 8.270 nan 0.000 0.465 42 E N 0.547 120.745 120.200 -0.004 0.000 2.047 42 E HA -0.097 4.254 4.350 0.000 0.000 0.191 42 E C 0.433 177.032 176.600 -0.002 0.000 0.987 42 E CA 1.492 57.890 56.400 -0.003 0.000 0.799 42 E CB 0.168 29.867 29.700 -0.003 0.000 0.752 42 E HN 0.671 nan 8.360 nan 0.000 0.449 43 T N -1.464 113.089 114.554 -0.002 0.000 2.940 43 T HA 0.356 4.706 4.350 0.000 0.000 0.288 43 T C -0.134 174.566 174.700 -0.000 0.000 1.033 43 T CA -1.025 61.075 62.100 -0.001 0.000 1.033 43 T CB 2.068 70.936 68.868 0.000 0.000 1.079 43 T HN -0.083 nan 8.240 nan 0.000 0.496 44 R N 0.944 121.444 120.500 0.000 0.000 2.458 44 R HA 0.266 4.606 4.340 0.000 0.000 0.303 44 R C -1.038 175.264 176.300 0.003 0.000 1.013 44 R CA -0.478 55.622 56.100 0.000 0.000 1.026 44 R CB -0.143 30.156 30.300 -0.002 0.000 0.948 44 R HN 0.555 nan 8.270 nan 0.000 0.417 45 L N 6.424 127.650 121.223 0.004 0.000 2.318 45 L HA 0.305 4.645 4.340 0.000 0.000 0.277 45 L C -1.175 175.702 176.870 0.012 0.000 1.008 45 L CA -0.484 54.360 54.840 0.007 0.000 0.846 45 L CB 1.683 43.745 42.059 0.005 0.000 1.220 45 L HN 0.306 nan 8.230 nan 0.000 0.423 46 V N 6.323 126.247 119.914 0.016 0.000 2.465 46 V HA 0.407 4.527 4.120 0.000 0.000 0.279 46 V C 0.116 176.228 176.094 0.030 0.000 1.045 46 V CA -0.440 61.873 62.300 0.023 0.000 0.938 46 V CB 1.447 33.283 31.823 0.022 0.000 0.986 46 V HN 0.564 nan 8.190 nan 0.000 0.467 47 L N 4.497 125.743 121.223 0.039 0.000 2.325 47 L HA 0.569 4.909 4.340 0.000 0.000 0.281 47 L C 0.055 176.957 176.870 0.054 0.000 1.004 47 L CA -0.324 54.544 54.840 0.046 0.000 0.823 47 L CB 1.720 43.810 42.059 0.052 0.000 1.236 47 L HN 0.632 nan 8.230 nan 0.000 0.415 48 E N 2.818 123.049 120.200 0.053 0.000 2.167 48 E HA 0.294 4.644 4.350 0.000 0.000 0.284 48 E C -0.833 175.792 176.600 0.042 0.000 1.016 48 E CA -0.774 55.657 56.400 0.052 0.000 0.817 48 E CB 1.598 31.342 29.700 0.074 0.000 1.080 48 E HN 0.352 nan 8.360 nan 0.000 0.397 49 V N 4.434 124.369 119.914 0.034 0.000 2.540 49 V HA 0.019 4.139 4.120 0.000 0.000 0.297 49 V C 0.963 177.068 176.094 0.020 0.000 1.024 49 V CA 0.985 63.310 62.300 0.043 0.000 1.105 49 V CB 0.692 32.546 31.823 0.051 0.000 0.938 49 V HN 0.881 nan 8.190 nan 0.000 0.482 50 A N 4.296 127.137 122.820 0.035 0.000 2.055 50 A HA 0.331 4.651 4.320 0.000 0.000 0.205 50 A C 0.702 178.297 177.584 0.019 0.000 1.235 50 A CA 0.232 52.277 52.037 0.014 0.000 0.822 50 A CB 0.375 19.386 19.000 0.019 0.000 0.903 50 A HN 0.769 nan 8.150 nan 0.000 0.473 51 Q N -0.823 119.017 119.800 0.067 0.000 2.391 51 Q HA 0.334 4.674 4.340 0.000 0.000 0.279 51 Q C -1.703 174.426 176.000 0.216 0.000 1.028 51 Q CA -0.501 55.352 55.803 0.084 0.000 0.836 51 Q CB 1.807 30.579 28.738 0.055 0.000 1.414 51 Q HN 0.615 nan 8.270 nan 0.000 0.397 52 H N 2.647 121.712 119.070 -0.009 0.000 2.690 52 H HA 0.209 4.764 4.556 -0.001 0.000 0.289 52 H C 0.696 176.026 175.328 0.004 0.000 1.089 52 H CA -0.255 55.791 56.048 -0.003 0.000 1.299 52 H CB 0.927 30.680 29.762 -0.014 0.000 1.405 52 H HN 0.468 nan 8.280 nan 0.000 0.463 53 L N 2.811 124.092 121.223 0.097 0.000 2.291 53 L HA 0.044 4.384 4.340 0.000 0.000 0.214 53 L C 1.252 178.148 176.870 0.044 0.000 1.120 53 L CA 0.734 55.608 54.840 0.056 0.000 0.799 53 L CB -0.149 41.932 42.059 0.037 0.000 0.925 53 L HN 0.886 nan 8.230 nan 0.000 0.446 54 G N -0.148 108.676 108.800 0.041 0.000 2.603 54 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 54 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 54 G C -0.077 174.829 174.900 0.011 0.000 1.286 54 G CA -0.471 44.645 45.100 0.026 0.000 0.871 54 G HN 0.316 nan 8.290 nan 0.000 0.568 55 E N -0.881 119.325 120.200 0.009 0.000 2.328 55 E HA -0.180 4.170 4.350 0.000 0.000 0.233 55 E C 0.987 177.589 176.600 0.004 0.000 1.219 55 E CA 0.993 57.397 56.400 0.006 0.000 0.717 55 E CB -1.535 28.169 29.700 0.006 0.000 1.210 55 E HN 1.988 nan 8.360 nan 0.000 0.381 56 S N -1.737 113.961 115.700 -0.004 0.000 3.521 56 S HA -0.206 4.265 4.470 0.000 0.000 0.328 56 S C 0.094 174.708 174.600 0.024 0.000 1.165 56 S CA 1.458 59.657 58.200 -0.001 0.000 0.941 56 S CB -0.905 62.309 63.200 0.024 0.000 0.951 56 S HN 0.491 nan 8.310 nan 0.000 0.539 57 T N 1.388 115.943 114.554 0.001 0.000 2.829 57 T HA 0.627 4.977 4.350 0.000 0.000 0.280 57 T C 0.200 174.901 174.700 0.001 0.000 0.999 57 T CA -0.373 61.742 62.100 0.026 0.000 0.983 57 T CB 1.843 70.721 68.868 0.017 0.000 0.968 57 T HN 0.478 nan 8.240 nan 0.000 0.446 58 V N 1.369 121.312 119.914 0.047 0.000 2.667 58 V HA 0.766 4.886 4.120 0.000 0.000 0.308 58 V C -0.255 175.884 176.094 0.074 0.000 1.048 58 V CA -1.371 60.953 62.300 0.041 0.000 0.928 58 V CB 1.662 33.501 31.823 0.027 0.000 1.004 58 V HN 0.841 nan 8.190 nan 0.000 0.444 59 R N 2.272 122.817 120.500 0.076 0.000 2.346 59 R HA 0.721 5.061 4.340 0.000 0.000 0.311 59 R C -0.121 176.216 176.300 0.061 0.000 0.983 59 R CA 0.321 56.456 56.100 0.059 0.000 0.880 59 R CB 1.454 31.782 30.300 0.047 0.000 1.100 59 R HN 1.180 nan 8.270 nan 0.000 0.453 60 T N 1.359 115.945 114.554 0.052 0.000 2.916 60 T HA 0.546 4.896 4.350 0.000 0.000 0.292 60 T C -0.171 174.550 174.700 0.036 0.000 1.055 60 T CA -0.860 61.271 62.100 0.050 0.000 1.009 60 T CB 1.140 70.046 68.868 0.063 0.000 1.118 60 T HN 0.431 nan 8.240 nan 0.000 0.497 61 I N 2.011 122.602 120.570 0.035 0.000 2.362 61 I HA 0.566 4.736 4.170 0.000 0.000 0.289 61 I C 0.721 176.856 176.117 0.030 0.000 0.994 61 I CA -1.151 60.166 61.300 0.028 0.000 1.158 61 I CB 1.517 39.533 38.000 0.028 0.000 1.315 61 I HN 0.961 nan 8.210 nan 0.000 0.451 62 A N 7.121 129.954 122.820 0.022 0.000 2.440 62 A HA 0.335 4.655 4.320 0.000 0.000 0.251 62 A C 0.896 178.493 177.584 0.021 0.000 1.089 62 A CA -0.139 51.911 52.037 0.021 0.000 0.779 62 A CB 0.373 19.381 19.000 0.013 0.000 1.022 62 A HN 0.770 nan 8.150 nan 0.000 0.492 63 M N 0.737 120.350 119.600 0.023 0.000 2.495 63 M HA 0.150 4.630 4.480 0.000 0.000 0.237 63 M C 0.009 176.319 176.300 0.017 0.000 1.131 63 M CA 0.709 56.023 55.300 0.023 0.000 1.032 63 M CB -0.895 31.720 32.600 0.026 0.000 1.513 63 M HN 0.821 nan 8.290 nan 0.000 0.488 64 D N -1.207 119.201 120.400 0.014 0.000 2.752 64 D HA 0.458 5.098 4.640 0.000 0.000 0.313 64 D C -0.496 175.809 176.300 0.007 0.000 1.225 64 D CA -0.227 53.779 54.000 0.010 0.000 0.976 64 D CB 1.176 41.981 40.800 0.009 0.000 1.443 64 D HN 0.096 nan 8.370 nan 0.000 0.515 65 G N -0.844 107.959 108.800 0.005 0.000 2.414 65 G HA2 0.314 4.274 3.960 0.000 0.000 0.236 65 G HA3 0.314 4.274 3.960 0.000 0.000 0.236 65 G C 0.848 175.749 174.900 0.002 0.000 1.293 65 G CA 0.659 45.761 45.100 0.003 0.000 0.869 65 G HN 0.415 nan 8.290 nan 0.000 0.556 66 T N -1.187 113.367 114.554 0.000 0.000 3.069 66 T HA 0.136 4.486 4.350 0.000 0.000 0.252 66 T C 0.830 175.528 174.700 -0.003 0.000 1.053 66 T CA 0.113 62.212 62.100 -0.001 0.000 0.964 66 T CB 0.023 68.890 68.868 -0.001 0.000 1.005 66 T HN 0.674 nan 8.240 nan 0.000 0.532 67 E N 2.066 122.264 120.200 -0.003 0.000 2.481 67 E HA 0.215 4.565 4.350 0.000 0.000 0.263 67 E C 1.200 177.797 176.600 -0.005 0.000 0.992 67 E CA 0.920 57.318 56.400 -0.004 0.000 0.938 67 E CB -0.113 29.585 29.700 -0.003 0.000 0.933 67 E HN 0.515 nan 8.360 nan 0.000 0.453 68 G N 2.665 111.462 108.800 -0.006 0.000 2.217 68 G HA2 -0.267 3.693 3.960 0.000 0.000 0.246 68 G HA3 -0.267 3.693 3.960 0.000 0.000 0.246 68 G C 0.346 175.240 174.900 -0.009 0.000 0.990 68 G CA 0.185 45.281 45.100 -0.007 0.000 0.627 68 G HN 0.487 nan 8.290 nan 0.000 0.522 69 L N 1.072 122.289 121.223 -0.010 0.000 2.426 69 L HA 0.514 4.854 4.340 0.000 0.000 0.271 69 L C 0.511 177.372 176.870 -0.015 0.000 1.169 69 L CA -0.371 54.461 54.840 -0.013 0.000 0.836 69 L CB 1.297 43.349 42.059 -0.012 0.000 1.112 69 L HN 0.003 nan 8.230 nan 0.000 0.465 70 V N 3.477 123.380 119.914 -0.019 0.000 2.680 70 V HA 0.374 4.495 4.120 0.000 0.000 0.309 70 V C 0.111 176.190 176.094 -0.026 0.000 1.052 70 V CA -0.951 61.337 62.300 -0.020 0.000 0.908 70 V CB 1.956 33.767 31.823 -0.020 0.000 1.001 70 V HN 0.683 nan 8.190 nan 0.000 0.431 71 R N 2.212 122.696 120.500 -0.026 0.000 2.538 71 R HA 0.400 4.740 4.340 0.000 0.000 0.282 71 R C 1.311 177.589 176.300 -0.037 0.000 1.009 71 R CA 1.133 57.215 56.100 -0.031 0.000 1.063 71 R CB 0.099 30.384 30.300 -0.026 0.000 0.945 71 R HN 1.204 nan 8.270 nan 0.000 0.414 72 G N 1.589 110.360 108.800 -0.049 0.000 2.232 72 G HA2 -0.313 3.647 3.960 0.000 0.000 0.226 72 G HA3 -0.313 3.647 3.960 0.000 0.000 0.226 72 G C 0.195 175.058 174.900 -0.063 0.000 0.996 72 G CA -0.102 44.965 45.100 -0.056 0.000 0.626 72 G HN 0.588 nan 8.290 nan 0.000 0.509 73 Q N 1.192 120.958 119.800 -0.056 0.000 2.361 73 Q HA 0.373 4.713 4.340 0.000 0.000 0.276 73 Q C 0.154 176.108 176.000 -0.076 0.000 1.022 73 Q CA 0.072 55.843 55.803 -0.054 0.000 0.898 73 Q CB 0.407 29.120 28.738 -0.042 0.000 1.246 73 Q HN 0.150 nan 8.270 nan 0.000 0.410 74 K N 2.092 122.450 120.400 -0.070 0.000 2.270 74 K HA 0.320 4.640 4.320 0.000 0.000 0.276 74 K C -0.931 175.620 176.600 -0.081 0.000 1.023 74 K CA -0.243 55.991 56.287 -0.088 0.000 0.955 74 K CB 1.199 33.660 32.500 -0.065 0.000 0.975 74 K HN 0.375 nan 8.250 nan 0.000 0.471 75 V N 3.817 123.661 119.914 -0.116 0.000 2.709 75 V HA 0.426 4.546 4.120 0.000 0.000 0.308 75 V C -0.241 175.852 176.094 -0.001 0.000 1.062 75 V CA -0.955 61.308 62.300 -0.062 0.000 0.901 75 V CB 1.915 33.691 31.823 -0.078 0.000 1.003 75 V HN 0.525 nan 8.190 nan 0.000 0.425 76 L N 2.832 124.093 121.223 0.063 0.000 2.329 76 L HA 0.545 4.885 4.340 0.000 0.000 0.279 76 L C -0.355 176.604 176.870 0.148 0.000 1.014 76 L CA -0.589 54.317 54.840 0.110 0.000 0.814 76 L CB 1.849 43.940 42.059 0.054 0.000 1.257 76 L HN 0.620 nan 8.230 nan 0.000 0.424 77 D N 0.882 121.390 120.400 0.180 0.000 2.343 77 D HA 0.021 4.661 4.640 0.000 0.000 0.255 77 D C 1.105 177.424 176.300 0.032 0.000 1.187 77 D CA -0.003 54.046 54.000 0.082 0.000 0.875 77 D CB 1.446 42.241 40.800 -0.008 0.000 1.136 77 D HN 0.531 nan 8.370 nan 0.000 0.469 78 S N 2.786 118.495 115.700 0.014 0.000 2.481 78 S HA 0.091 4.561 4.470 0.000 0.000 0.231 78 S C 1.713 176.302 174.600 -0.019 0.000 0.996 78 S CA 0.611 58.807 58.200 -0.007 0.000 0.942 78 S CB -0.248 62.942 63.200 -0.017 0.000 0.768 78 S HN 0.974 nan 8.310 nan 0.000 0.520 79 G N 0.173 108.959 108.800 -0.022 0.000 2.157 79 G HA2 0.139 4.099 3.960 0.000 0.000 0.248 79 G HA3 0.139 4.099 3.960 0.000 0.000 0.248 79 G C 0.120 175.005 174.900 -0.025 0.000 0.979 79 G CA -0.149 44.934 45.100 -0.028 0.000 0.650 79 G HN 1.595 nan 8.290 nan 0.000 0.529 80 A N -1.116 121.692 122.820 -0.021 0.000 2.599 80 A HA 0.906 5.226 4.320 0.000 0.000 0.290 80 A C -3.041 174.543 177.584 0.000 0.000 1.101 80 A CA -0.716 51.313 52.037 -0.012 0.000 0.674 80 A CB 1.051 20.042 19.000 -0.014 0.000 1.277 80 A HN 0.092 nan 8.150 nan 0.000 0.419 81 P HA 0.369 nan 4.420 nan 0.000 0.274 81 P C -0.331 177.002 177.300 0.056 0.000 1.260 81 P CA -0.311 62.825 63.100 0.060 0.000 0.793 81 P CB 0.204 31.976 31.700 0.121 0.000 1.048 82 I N 0.748 121.366 120.570 0.080 0.000 2.906 82 I HA -0.106 4.064 4.170 0.000 0.000 0.301 82 I C 1.080 177.215 176.117 0.030 0.000 1.221 82 I CA 1.166 62.492 61.300 0.043 0.000 1.435 82 I CB -0.231 37.796 38.000 0.045 0.000 1.345 82 I HN 0.143 nan 8.210 nan 0.000 0.558 83 R N 7.190 127.692 120.500 0.004 0.000 2.561 83 R HA 0.697 5.037 4.340 0.000 0.000 0.297 83 R C -0.852 175.487 176.300 0.066 0.000 0.969 83 R CA -0.805 55.310 56.100 0.024 0.000 0.879 83 R CB 2.130 32.418 30.300 -0.019 0.000 1.178 83 R HN 0.603 nan 8.270 nan 0.000 0.445 84 I N -1.101 119.552 120.570 0.139 0.000 2.740 84 I HA 0.651 4.821 4.170 0.000 0.000 0.303 84 I C -2.623 173.646 176.117 0.253 0.000 1.044 84 I CA -3.343 58.060 61.300 0.173 0.000 1.064 84 I CB 2.261 40.290 38.000 0.047 0.000 1.249 84 I HN 0.278 nan 8.210 nan 0.000 0.433 85 P HA 0.105 nan 4.420 nan 0.000 0.265 85 P C -0.700 176.434 177.300 -0.276 0.000 1.193 85 P CA -0.011 62.959 63.100 -0.218 0.000 0.765 85 P CB 0.700 32.298 31.700 -0.169 0.000 0.823 86 V N 0.124 119.759 119.914 -0.464 0.000 3.040 86 V HA 1.004 5.125 4.120 0.000 0.000 0.312 86 V C 0.169 175.686 176.094 -0.962 0.000 1.115 86 V CA -0.140 61.775 62.300 -0.642 0.000 0.998 86 V CB 1.384 32.866 31.823 -0.568 0.000 1.042 86 V HN 0.947 nan 8.190 nan 0.000 0.433 87 G N 2.765 110.838 108.800 -1.212 0.000 2.466 87 G HA2 0.002 3.962 3.960 0.000 0.000 0.316 87 G HA3 0.002 3.962 3.960 0.000 0.000 0.316 87 G C -2.419 172.374 174.900 -0.178 0.000 1.270 87 G CA -0.041 44.509 45.100 -0.917 0.000 0.982 87 G HN 0.684 nan 8.290 nan 0.000 0.506 88 P HA -0.010 nan 4.420 nan 0.000 0.218 88 P C 1.452 178.732 177.300 -0.035 0.000 1.148 88 P CA 1.911 65.031 63.100 0.033 0.000 0.822 88 P CB 0.016 31.740 31.700 0.040 0.000 0.784 89 E N -0.839 119.317 120.200 -0.073 0.000 2.502 89 E HA -0.036 4.314 4.350 0.000 0.000 0.194 89 E C 1.215 177.781 176.600 -0.057 0.000 1.062 89 E CA 1.031 57.392 56.400 -0.066 0.000 0.867 89 E CB -1.256 28.398 29.700 -0.078 0.000 0.888 89 E HN 0.364 nan 8.360 nan 0.000 0.510 90 T N -1.128 113.395 114.554 -0.053 0.000 3.067 90 T HA 0.083 4.433 4.350 0.000 0.000 0.261 90 T C 1.126 175.850 174.700 0.040 0.000 1.110 90 T CA -0.145 61.946 62.100 -0.016 0.000 1.113 90 T CB -0.310 68.534 68.868 -0.041 0.000 0.917 90 T HN 0.036 nan 8.240 nan 0.000 0.499 91 L N 2.012 123.249 121.223 0.023 0.000 2.462 91 L HA 0.467 4.807 4.340 0.000 0.000 0.272 91 L C 1.662 178.539 176.870 0.012 0.000 1.166 91 L CA 0.737 55.569 54.840 -0.015 0.000 0.880 91 L CB 0.215 42.177 42.059 -0.162 0.000 1.142 91 L HN 0.546 nan 8.230 nan 0.000 0.473 92 G N 1.979 110.810 108.800 0.050 0.000 2.176 92 G HA2 -0.210 3.750 3.960 0.000 0.000 0.253 92 G HA3 -0.210 3.750 3.960 0.000 0.000 0.253 92 G C 0.338 175.312 174.900 0.124 0.000 0.979 92 G CA -0.413 44.734 45.100 0.077 0.000 0.641 92 G HN 0.459 nan 8.290 nan 0.000 0.530 93 R N 0.009 120.565 120.500 0.094 0.000 2.598 93 R HA 0.741 5.081 4.340 0.000 0.000 0.279 93 R C 0.348 176.689 176.300 0.070 0.000 0.984 93 R CA -0.931 55.214 56.100 0.074 0.000 0.999 93 R CB 0.816 31.137 30.300 0.036 0.000 1.114 93 R HN 0.341 nan 8.270 nan 0.000 0.493 94 I N 3.242 123.814 120.570 0.004 0.000 2.378 94 I HA 0.415 4.585 4.170 0.000 0.000 0.291 94 I C 0.518 176.642 176.117 0.012 0.000 0.992 94 I CA -0.690 60.610 61.300 0.001 0.000 1.154 94 I CB 1.330 39.233 38.000 -0.161 0.000 1.315 94 I HN 0.402 nan 8.210 nan 0.000 0.448 95 M N 4.412 124.046 119.600 0.057 0.000 2.662 95 M HA 0.608 5.088 4.480 0.000 0.000 0.310 95 M C -0.965 175.373 176.300 0.063 0.000 1.204 95 M CA -0.731 54.594 55.300 0.042 0.000 0.891 95 M CB 2.105 34.724 32.600 0.031 0.000 1.732 95 M HN 0.521 nan 8.290 nan 0.000 0.467 96 N N 0.918 119.644 118.700 0.044 0.000 2.566 96 N HA 0.218 4.958 4.740 0.000 0.000 0.299 96 N C 0.526 176.056 175.510 0.033 0.000 1.277 96 N CA -0.735 52.344 53.050 0.048 0.000 0.965 96 N CB 0.314 38.822 38.487 0.035 0.000 1.142 96 N HN 0.638 nan 8.380 nan 0.000 0.596 97 V N -0.408 119.523 119.914 0.029 0.000 2.392 97 V HA -0.137 3.983 4.120 0.000 0.000 0.249 97 V C 1.562 177.662 176.094 0.009 0.000 1.059 97 V CA 1.952 64.261 62.300 0.015 0.000 1.051 97 V CB -0.807 31.027 31.823 0.019 0.000 0.658 97 V HN 0.652 nan 8.190 nan 0.000 0.455 98 I N -2.366 118.214 120.570 0.016 0.000 3.891 98 I HA 0.547 4.717 4.170 0.000 0.000 0.331 98 I C 1.301 177.431 176.117 0.022 0.000 1.406 98 I CA 0.511 61.820 61.300 0.015 0.000 1.139 98 I CB -0.286 37.721 38.000 0.013 0.000 1.056 98 I HN 0.303 nan 8.210 nan 0.000 0.399 99 G N 1.231 110.046 108.800 0.026 0.000 2.148 99 G HA2 -0.268 3.692 3.960 0.000 0.000 0.254 99 G HA3 -0.268 3.692 3.960 0.000 0.000 0.254 99 G C -0.101 174.827 174.900 0.046 0.000 0.981 99 G CA 0.104 45.229 45.100 0.041 0.000 0.670 99 G HN 0.664 nan 8.290 nan 0.000 0.528 100 E N 1.724 121.943 120.200 0.033 0.000 2.354 100 E HA 0.345 4.696 4.350 0.000 0.000 0.269 100 E C -2.088 174.523 176.600 0.019 0.000 1.036 100 E CA -1.645 54.771 56.400 0.027 0.000 0.876 100 E CB 0.957 30.668 29.700 0.017 0.000 1.009 100 E HN 0.202 nan 8.360 nan 0.000 0.416 101 P HA -0.014 nan 4.420 nan 0.000 0.267 101 P C -0.048 177.243 177.300 -0.014 0.000 1.205 101 P CA 0.531 63.631 63.100 0.001 0.000 0.765 101 P CB 0.199 31.901 31.700 0.003 0.000 0.828 102 I N -0.347 120.201 120.570 -0.037 0.000 3.569 102 I HA 0.292 4.462 4.170 0.000 0.000 0.334 102 I C -0.016 176.029 176.117 -0.119 0.000 1.570 102 I CA -0.319 60.944 61.300 -0.061 0.000 1.082 102 I CB 0.035 38.004 38.000 -0.052 0.000 1.323 102 I HN 0.038 nan 8.210 nan 0.000 0.489 103 D N 0.003 120.338 120.400 -0.108 0.000 2.500 103 D HA 0.043 4.683 4.640 0.000 0.000 0.217 103 D C 0.386 176.657 176.300 -0.048 0.000 1.159 103 D CA -0.194 53.718 54.000 -0.146 0.000 0.828 103 D CB -0.065 40.629 40.800 -0.177 0.000 1.039 103 D HN 0.434 nan 8.370 nan 0.000 0.512 104 E N 0.031 120.215 120.200 -0.027 0.000 2.637 104 E HA -0.239 4.111 4.350 0.000 0.000 0.265 104 E C 0.197 176.805 176.600 0.014 0.000 1.073 104 E CA 0.304 56.703 56.400 -0.002 0.000 0.778 104 E CB -1.271 28.431 29.700 0.005 0.000 1.362 104 E HN 0.413 nan 8.360 nan 0.000 0.413 105 R N -0.125 120.384 120.500 0.015 0.000 2.543 105 R HA 0.307 4.647 4.340 0.000 0.000 0.323 105 R C 0.877 177.188 176.300 0.018 0.000 1.002 105 R CA 0.291 56.406 56.100 0.024 0.000 1.106 105 R CB 1.307 31.630 30.300 0.038 0.000 1.280 105 R HN 0.308 nan 8.270 nan 0.000 0.549 106 G N 1.963 110.771 108.800 0.013 0.000 2.587 106 G HA2 -0.214 3.746 3.960 0.000 0.000 0.212 106 G HA3 -0.214 3.746 3.960 0.000 0.000 0.212 106 G C -2.588 172.320 174.900 0.014 0.000 1.327 106 G CA -1.218 43.890 45.100 0.013 0.000 0.898 106 G HN 0.030 nan 8.290 nan 0.000 0.551 107 P HA 0.466 nan 4.420 nan 0.000 0.269 107 P C -0.016 177.294 177.300 0.016 0.000 1.215 107 P CA -0.187 62.927 63.100 0.024 0.000 0.780 107 P CB 0.371 32.087 31.700 0.028 0.000 0.898 108 I N 2.471 123.052 120.570 0.019 0.000 2.282 108 I HA 0.137 4.307 4.170 0.000 0.000 0.290 108 I C 0.942 177.043 176.117 -0.026 0.000 1.090 108 I CA -0.385 60.910 61.300 -0.009 0.000 1.231 108 I CB 0.145 38.134 38.000 -0.017 0.000 1.434 108 I HN 0.181 nan 8.210 nan 0.000 0.487 109 K N 4.726 125.105 120.400 -0.035 0.000 2.333 109 K HA 0.248 4.568 4.320 0.000 0.000 0.241 109 K C 0.041 176.578 176.600 -0.105 0.000 1.193 109 K CA -0.422 55.841 56.287 -0.040 0.000 1.142 109 K CB -0.439 32.054 32.500 -0.011 0.000 1.731 109 K HN 0.555 nan 8.250 nan 0.000 0.344 110 T N -1.069 113.356 114.554 -0.216 0.000 2.899 110 T HA 0.238 4.588 4.350 0.000 0.000 0.284 110 T C 0.765 175.268 174.700 -0.328 0.000 1.004 110 T CA -0.771 61.133 62.100 -0.328 0.000 1.043 110 T CB 1.748 70.285 68.868 -0.551 0.000 1.013 110 T HN 0.383 nan 8.240 nan 0.000 0.518 111 K N 0.181 120.426 120.400 -0.258 0.000 2.262 111 K HA 0.128 4.448 4.320 0.000 0.000 0.200 111 K C 0.523 176.993 176.600 -0.216 0.000 1.049 111 K CA 0.565 56.754 56.287 -0.164 0.000 0.979 111 K CB 0.192 32.648 32.500 -0.074 0.000 0.773 111 K HN 0.561 nan 8.250 nan 0.000 0.474 112 Q N -0.310 119.274 119.800 -0.360 0.000 2.309 112 Q HA 0.462 4.802 4.340 0.000 0.000 0.264 112 Q C -1.097 174.553 176.000 -0.583 0.000 1.008 112 Q CA -0.427 55.194 55.803 -0.304 0.000 0.853 112 Q CB 1.491 30.111 28.738 -0.197 0.000 1.314 112 Q HN -0.066 nan 8.270 nan 0.000 0.448 113 F N 0.316 120.226 119.950 -0.067 0.000 2.561 113 F HA 0.872 5.399 4.527 0.000 0.000 0.321 113 F C -0.197 175.576 175.800 -0.045 0.000 1.065 113 F CA -1.035 56.923 58.000 -0.070 0.000 0.934 113 F CB 1.918 40.891 39.000 -0.045 0.000 1.215 113 F HN 0.542 nan 8.300 nan 0.000 0.471 114 A N 0.964 123.871 122.820 0.144 0.000 2.475 114 A HA 0.846 5.167 4.320 0.000 0.000 0.301 114 A C -1.109 176.515 177.584 0.067 0.000 1.059 114 A CA -0.785 51.301 52.037 0.082 0.000 0.710 114 A CB 1.056 20.080 19.000 0.039 0.000 1.288 114 A HN 1.026 nan 8.150 nan 0.000 0.408 115 A N 1.063 123.916 122.820 0.054 0.000 2.462 115 A HA 0.455 4.775 4.320 0.000 0.000 0.243 115 A C 1.100 178.688 177.584 0.007 0.000 1.076 115 A CA 0.214 52.279 52.037 0.045 0.000 0.773 115 A CB -0.404 18.636 19.000 0.066 0.000 1.010 115 A HN 1.682 nan 8.150 nan 0.000 0.493 116 I N -0.657 119.891 120.570 -0.036 0.000 3.001 116 I HA 0.032 4.202 4.170 0.000 0.000 0.268 116 I C 0.162 176.110 176.117 -0.281 0.000 1.267 116 I CA 0.462 61.668 61.300 -0.157 0.000 1.472 116 I CB -0.354 37.527 38.000 -0.198 0.000 1.089 116 I HN 0.492 nan 8.210 nan 0.000 0.468 117 H N 2.353 121.420 119.070 -0.006 0.000 2.458 117 H HA 0.815 5.371 4.556 0.000 0.000 0.330 117 H C -0.528 174.795 175.328 -0.008 0.000 1.111 117 H CA -0.215 55.828 56.048 -0.008 0.000 1.245 117 H CB 1.812 31.572 29.762 -0.003 0.000 1.456 117 H HN 0.383 nan 8.280 nan 0.000 0.488 118 A N 2.983 125.862 122.820 0.099 0.000 2.594 118 A HA 0.275 4.595 4.320 0.000 0.000 0.296 118 A C -0.641 176.967 177.584 0.039 0.000 1.061 118 A CA -0.912 51.156 52.037 0.051 0.000 0.689 118 A CB 1.503 20.515 19.000 0.019 0.000 1.280 118 A HN 0.681 nan 8.150 nan 0.000 0.406 119 E N 0.940 121.157 120.200 0.029 0.000 2.383 119 E HA 0.443 4.793 4.350 0.000 0.000 0.264 119 E C 0.537 177.145 176.600 0.013 0.000 1.050 119 E CA 0.011 56.425 56.400 0.022 0.000 0.896 119 E CB 1.234 30.946 29.700 0.020 0.000 0.982 119 E HN 0.854 nan 8.360 nan 0.000 0.424 120 A N 3.798 126.626 122.820 0.013 0.000 2.445 120 A HA 0.230 4.550 4.320 0.000 0.000 0.242 120 A C -2.070 175.522 177.584 0.013 0.000 1.075 120 A CA -1.088 50.953 52.037 0.007 0.000 0.777 120 A CB -0.465 18.542 19.000 0.013 0.000 1.013 120 A HN 0.333 nan 8.150 nan 0.000 0.493 121 P HA 0.034 nan 4.420 nan 0.000 0.263 121 P C -0.008 177.309 177.300 0.028 0.000 1.175 121 P CA 0.309 63.413 63.100 0.007 0.000 0.761 121 P CB 0.384 32.078 31.700 -0.009 0.000 0.794 122 E N 1.597 121.818 120.200 0.035 0.000 2.410 122 E HA -0.017 4.333 4.350 0.000 0.000 0.255 122 E C 0.849 177.508 176.600 0.097 0.000 1.194 122 E CA -0.191 56.254 56.400 0.074 0.000 0.955 122 E CB 0.038 29.779 29.700 0.068 0.000 0.988 122 E HN 0.408 nan 8.360 nan 0.000 0.461 123 F N 1.547 121.497 119.950 0.001 0.000 2.216 123 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 123 F C 1.836 177.636 175.800 -0.001 0.000 1.085 123 F CA 1.517 59.517 58.000 0.001 0.000 1.326 123 F CB -0.093 38.908 39.000 0.002 0.000 1.027 123 F HN 0.247 nan 8.300 nan 0.000 0.497 124 V N -2.299 117.604 119.914 -0.018 0.000 2.970 124 V HA -0.124 3.996 4.120 0.000 0.000 0.260 124 V C 1.583 177.599 176.094 -0.130 0.000 1.100 124 V CA 1.799 64.037 62.300 -0.102 0.000 1.122 124 V CB -0.926 30.903 31.823 0.010 0.000 0.721 124 V HN 0.406 nan 8.190 nan 0.000 0.483 125 E N -0.019 120.120 120.200 -0.102 0.000 2.478 125 E HA 0.151 4.501 4.350 0.000 0.000 0.194 125 E C 0.648 177.182 176.600 -0.110 0.000 1.045 125 E CA -0.138 56.213 56.400 -0.081 0.000 0.868 125 E CB 0.027 29.701 29.700 -0.043 0.000 0.885 125 E HN 0.471 nan 8.360 nan 0.000 0.505 126 M N 0.891 120.382 119.600 -0.181 0.000 2.243 126 M HA 0.078 4.558 4.480 0.000 0.000 0.341 126 M C 0.436 176.645 176.300 -0.152 0.000 1.130 126 M CA 0.236 55.430 55.300 -0.176 0.000 1.162 126 M CB 1.034 33.473 32.600 -0.268 0.000 1.497 126 M HN -0.156 nan 8.290 nan 0.000 0.456 127 S N 1.264 116.902 115.700 -0.103 0.000 2.565 127 S HA 0.567 5.037 4.470 0.000 0.000 0.290 127 S C 0.471 175.028 174.600 -0.071 0.000 1.150 127 S CA -0.796 57.357 58.200 -0.079 0.000 1.058 127 S CB 0.958 64.126 63.200 -0.053 0.000 1.032 127 S HN 0.594 nan 8.310 nan 0.000 0.510 128 V N 0.979 120.857 119.914 -0.059 0.000 3.380 128 V HA 0.513 4.633 4.120 0.000 0.000 0.307 128 V C 0.098 176.176 176.094 -0.026 0.000 1.434 128 V CA -0.265 62.009 62.300 -0.043 0.000 1.075 128 V CB -0.624 31.172 31.823 -0.046 0.000 0.954 128 V HN 0.770 nan 8.190 nan 0.000 0.444 129 E N 1.780 121.966 120.200 -0.023 0.000 2.290 129 E HA 0.379 4.729 4.350 0.000 0.000 0.277 129 E C -0.467 176.130 176.600 -0.005 0.000 1.035 129 E CA 0.139 56.531 56.400 -0.013 0.000 0.873 129 E CB 0.776 30.469 29.700 -0.012 0.000 1.029 129 E HN 0.593 nan 8.360 nan 0.000 0.419 130 Q N 2.800 122.601 119.800 0.002 0.000 2.357 130 Q HA 0.287 4.627 4.340 0.000 0.000 0.266 130 Q C -1.034 174.977 176.000 0.018 0.000 1.021 130 Q CA -0.280 55.530 55.803 0.011 0.000 0.784 130 Q CB 1.784 30.528 28.738 0.010 0.000 1.243 130 Q HN 0.426 nan 8.270 nan 0.000 0.465 131 E N 2.991 123.207 120.200 0.027 0.000 2.292 131 E HA 0.360 4.710 4.350 0.000 0.000 0.272 131 E C -1.279 175.352 176.600 0.052 0.000 0.881 131 E CA -0.737 55.684 56.400 0.035 0.000 0.754 131 E CB 1.929 31.647 29.700 0.029 0.000 1.201 131 E HN 0.585 nan 8.360 nan 0.000 0.425 132 I N 4.318 124.926 120.570 0.063 0.000 2.588 132 I HA 0.079 4.249 4.170 0.000 0.000 0.283 132 I C -0.810 175.357 176.117 0.085 0.000 1.119 132 I CA -0.306 61.044 61.300 0.084 0.000 1.419 132 I CB 0.472 38.531 38.000 0.099 0.000 1.394 132 I HN 0.450 nan 8.210 nan 0.000 0.562 133 L N 9.002 130.289 121.223 0.108 0.000 2.295 133 L HA 0.380 4.720 4.340 0.000 0.000 0.281 133 L C -0.781 176.145 176.870 0.094 0.000 1.018 133 L CA -0.315 54.590 54.840 0.108 0.000 0.841 133 L CB 1.177 43.318 42.059 0.136 0.000 1.218 133 L HN 0.310 nan 8.230 nan 0.000 0.424 134 V N 4.725 124.676 119.914 0.062 0.000 2.521 134 V HA 0.148 4.268 4.120 0.000 0.000 0.286 134 V C 1.494 177.600 176.094 0.020 0.000 1.034 134 V CA 0.697 63.014 62.300 0.030 0.000 1.045 134 V CB 0.856 32.695 31.823 0.027 0.000 0.974 134 V HN 0.954 nan 8.190 nan 0.000 0.480 135 T N 0.454 114.993 114.554 -0.024 0.000 3.037 135 T HA 0.237 4.587 4.350 0.000 0.000 0.252 135 T C 1.486 176.162 174.700 -0.040 0.000 1.073 135 T CA 0.780 62.864 62.100 -0.027 0.000 1.091 135 T CB 0.373 69.183 68.868 -0.096 0.000 0.935 135 T HN 1.442 nan 8.240 nan 0.000 0.488 136 G N 1.587 110.364 108.800 -0.039 0.000 2.176 136 G HA2 -0.194 3.766 3.960 0.000 0.000 0.253 136 G HA3 -0.194 3.766 3.960 0.000 0.000 0.253 136 G C 0.014 174.895 174.900 -0.032 0.000 0.979 136 G CA 0.077 45.157 45.100 -0.033 0.000 0.641 136 G HN 0.662 nan 8.290 nan 0.000 0.530 137 I N 1.240 121.784 120.570 -0.043 0.000 2.297 137 I HA 0.255 4.425 4.170 0.000 0.000 0.291 137 I C 1.622 177.739 176.117 0.001 0.000 1.033 137 I CA -0.740 60.566 61.300 0.009 0.000 1.253 137 I CB 1.250 39.266 38.000 0.027 0.000 1.396 137 I HN -0.010 nan 8.210 nan 0.000 0.476 138 K N 3.643 124.056 120.400 0.021 0.000 2.015 138 K HA -0.208 4.112 4.320 0.000 0.000 0.216 138 K C 1.857 178.455 176.600 -0.003 0.000 1.052 138 K CA 1.582 57.885 56.287 0.027 0.000 0.937 138 K CB -0.168 32.348 32.500 0.027 0.000 0.719 138 K HN 0.575 nan 8.250 nan 0.000 0.446 139 V N 1.058 120.971 119.914 -0.002 0.000 2.407 139 V HA -0.199 3.921 4.120 0.000 0.000 0.248 139 V C 2.034 178.094 176.094 -0.057 0.000 1.055 139 V CA 1.545 63.817 62.300 -0.047 0.000 1.049 139 V CB 0.007 31.828 31.823 -0.003 0.000 0.662 139 V HN 0.143 nan 8.190 nan 0.000 0.455 140 V N 0.314 120.189 119.914 -0.065 0.000 2.255 140 V HA -0.173 3.948 4.120 0.000 0.000 0.243 140 V C 2.386 178.394 176.094 -0.143 0.000 1.038 140 V CA 2.374 64.578 62.300 -0.160 0.000 1.008 140 V CB -0.827 30.777 31.823 -0.364 0.000 0.645 140 V HN 0.540 nan 8.190 nan 0.000 0.449 141 D N -0.110 120.220 120.400 -0.118 0.000 2.123 141 D HA -0.166 4.474 4.640 0.000 0.000 0.196 141 D C 1.894 178.230 176.300 0.060 0.000 0.992 141 D CA 1.300 55.274 54.000 -0.043 0.000 0.833 141 D CB -0.285 40.484 40.800 -0.052 0.000 0.954 141 D HN 0.321 nan 8.370 nan 0.000 0.455 142 L N -0.157 121.071 121.223 0.007 0.000 2.007 142 L HA -0.032 4.308 4.340 0.000 0.000 0.205 142 L C 2.078 179.029 176.870 0.135 0.000 1.073 142 L CA 1.454 56.327 54.840 0.055 0.000 0.744 142 L CB -0.207 41.757 42.059 -0.160 0.000 0.898 142 L HN 0.002 nan 8.230 nan 0.000 0.435 143 L N -1.218 119.999 121.223 -0.010 0.000 2.253 143 L HA 0.264 4.604 4.340 0.000 0.000 0.205 143 L C 0.897 177.765 176.870 -0.002 0.000 1.078 143 L CA 0.559 55.378 54.840 -0.035 0.000 0.805 143 L CB -0.190 41.820 42.059 -0.081 0.000 0.963 143 L HN 0.267 nan 8.230 nan 0.000 0.459 144 A N 0.474 123.304 122.820 0.017 0.000 3.410 144 A HA 0.422 4.742 4.320 0.000 0.000 0.276 144 A C -2.572 175.053 177.584 0.070 0.000 0.995 144 A CA -0.968 51.103 52.037 0.057 0.000 0.934 144 A CB -0.276 18.780 19.000 0.093 0.000 1.191 144 A HN -0.123 nan 8.150 nan 0.000 0.511 145 P HA 0.034 nan 4.420 nan 0.000 0.267 145 P C -0.477 176.939 177.300 0.194 0.000 1.200 145 P CA 0.611 63.741 63.100 0.050 0.000 0.772 145 P CB 0.378 32.140 31.700 0.103 0.000 0.855 146 Y N 0.417 120.755 120.300 0.063 0.000 2.298 146 Y HA 0.424 4.974 4.550 0.000 0.000 0.329 146 Y C 1.115 177.038 175.900 0.038 0.000 1.293 146 Y CA -1.237 56.890 58.100 0.046 0.000 1.388 146 Y CB 0.909 39.394 38.460 0.041 0.000 1.309 146 Y HN 0.388 nan 8.280 nan 0.000 0.544 147 A N 2.234 125.166 122.820 0.188 0.000 2.365 147 A HA 0.435 4.755 4.320 0.000 0.000 0.318 147 A C -1.037 176.584 177.584 0.062 0.000 1.091 147 A CA -1.128 50.970 52.037 0.101 0.000 0.763 147 A CB 0.905 19.945 19.000 0.066 0.000 1.248 147 A HN 0.738 nan 8.150 nan 0.000 0.442 148 K N 0.816 121.247 120.400 0.052 0.000 2.451 148 K HA 0.350 4.670 4.320 0.000 0.000 0.280 148 K C 1.118 177.720 176.600 0.004 0.000 1.020 148 K CA 1.091 57.395 56.287 0.028 0.000 1.008 148 K CB 0.341 32.862 32.500 0.035 0.000 0.917 148 K HN 1.562 nan 8.250 nan 0.000 0.478 149 G N 2.058 110.847 108.800 -0.020 0.000 2.168 149 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 149 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 149 G C 0.440 175.313 174.900 -0.044 0.000 0.997 149 G CA 0.184 45.263 45.100 -0.034 0.000 0.708 149 G HN 0.854 nan 8.290 nan 0.000 0.520 150 G N -0.934 107.838 108.800 -0.046 0.000 2.511 150 G HA2 0.604 4.564 3.960 0.000 0.000 0.316 150 G HA3 0.604 4.564 3.960 0.000 0.000 0.316 150 G C -0.194 174.651 174.900 -0.092 0.000 1.210 150 G CA -0.804 44.268 45.100 -0.047 0.000 0.969 150 G HN 0.338 nan 8.290 nan 0.000 0.492 151 K N 0.143 120.498 120.400 -0.075 0.000 2.240 151 K HA 0.430 4.750 4.320 0.000 0.000 0.271 151 K C -0.870 175.654 176.600 -0.128 0.000 1.018 151 K CA -0.161 56.065 56.287 -0.102 0.000 0.874 151 K CB 1.759 34.228 32.500 -0.052 0.000 1.098 151 K HN 0.250 nan 8.250 nan 0.000 0.458 152 I N 1.523 121.958 120.570 -0.224 0.000 2.433 152 I HA 0.343 4.513 4.170 0.000 0.000 0.292 152 I C 0.254 176.235 176.117 -0.228 0.000 1.001 152 I CA -0.580 60.527 61.300 -0.321 0.000 1.119 152 I CB 2.157 39.748 38.000 -0.682 0.000 1.289 152 I HN 0.610 nan 8.210 nan 0.000 0.438 153 G N 6.705 115.425 108.800 -0.133 0.000 2.513 153 G HA2 0.731 4.691 3.960 0.000 0.000 0.317 153 G HA3 0.731 4.691 3.960 0.000 0.000 0.317 153 G C -1.042 173.806 174.900 -0.086 0.000 1.277 153 G CA -0.536 44.459 45.100 -0.175 0.000 0.955 153 G HN 0.452 nan 8.290 nan 0.000 0.484 154 L N 2.047 123.177 121.223 -0.155 0.000 2.301 154 L HA 0.439 4.779 4.340 0.000 0.000 0.278 154 L C -0.912 175.899 176.870 -0.098 0.000 1.022 154 L CA -0.617 54.223 54.840 -0.000 0.000 0.854 154 L CB 0.985 43.080 42.059 0.060 0.000 1.226 154 L HN 0.320 nan 8.230 nan 0.000 0.429 155 F N 1.470 121.417 119.950 -0.005 0.000 2.404 155 F HA 0.706 5.233 4.527 -0.000 0.000 0.345 155 F C 0.993 176.779 175.800 -0.022 0.000 1.110 155 F CA -0.262 57.708 58.000 -0.049 0.000 1.130 155 F CB 1.881 40.835 39.000 -0.078 0.000 1.129 155 F HN 0.440 nan 8.300 nan 0.000 0.500 156 G N 1.443 110.293 108.800 0.082 0.000 2.768 156 G HA2 0.491 4.451 3.960 0.000 0.000 0.297 156 G HA3 0.491 4.451 3.960 0.000 0.000 0.297 156 G C -0.544 174.274 174.900 -0.136 0.000 1.430 156 G CA -0.532 44.581 45.100 0.020 0.000 1.030 156 G HN 0.927 nan 8.290 nan 0.000 0.553 157 G N -0.084 108.617 108.800 -0.166 0.000 2.683 157 G HA2 0.609 4.569 3.960 0.000 0.000 0.260 157 G HA3 0.609 4.569 3.960 0.000 0.000 0.260 157 G C 0.848 175.667 174.900 -0.136 0.000 1.238 157 G CA 0.344 45.261 45.100 -0.306 0.000 0.934 157 G HN 1.680 nan 8.290 nan 0.000 0.534 158 A N -0.921 121.876 122.820 -0.039 0.000 2.526 158 A HA 0.502 4.822 4.320 0.000 0.000 0.267 158 A C 1.550 179.202 177.584 0.113 0.000 1.095 158 A CA 1.150 53.313 52.037 0.211 0.000 0.775 158 A CB -0.876 18.279 19.000 0.259 0.000 1.036 158 A HN 2.586 nan 8.150 nan 0.000 0.510 159 G N 0.895 109.766 108.800 0.119 0.000 2.137 159 G HA2 -0.164 3.796 3.960 0.000 0.000 0.237 159 G HA3 -0.164 3.796 3.960 0.000 0.000 0.237 159 G C 0.712 175.656 174.900 0.074 0.000 1.002 159 G CA 0.680 45.826 45.100 0.077 0.000 0.702 159 G HN 2.136 nan 8.290 nan 0.000 0.515 160 V N -3.456 116.510 119.914 0.086 0.000 3.471 160 V HA 0.667 4.787 4.120 0.000 0.000 0.258 160 V C 1.622 177.811 176.094 0.158 0.000 1.192 160 V CA 1.395 63.758 62.300 0.106 0.000 1.116 160 V CB 0.498 32.355 31.823 0.057 0.000 0.792 160 V HN 2.089 nan 8.190 nan 0.000 0.459 161 G N 0.198 109.076 108.800 0.129 0.000 2.363 161 G HA2 -0.117 3.843 3.960 0.000 0.000 0.213 161 G HA3 -0.117 3.843 3.960 0.000 0.000 0.213 161 G C 0.477 175.468 174.900 0.151 0.000 1.028 161 G CA 0.127 45.309 45.100 0.138 0.000 0.822 161 G HN 0.375 nan 8.290 nan 0.000 0.536 162 K N -0.077 120.405 120.400 0.136 0.000 2.009 162 K HA -0.074 4.246 4.320 0.000 0.000 0.210 162 K C 2.513 179.206 176.600 0.155 0.000 1.049 162 K CA 2.031 58.402 56.287 0.141 0.000 0.929 162 K CB -0.225 32.350 32.500 0.125 0.000 0.714 162 K HN 0.262 nan 8.250 nan 0.000 0.440 163 T N 1.012 115.653 114.554 0.146 0.000 2.812 163 T HA -0.080 4.270 4.350 0.000 0.000 0.264 163 T C 2.041 176.832 174.700 0.152 0.000 1.042 163 T CA 0.940 63.132 62.100 0.154 0.000 1.140 163 T CB -0.147 68.805 68.868 0.142 0.000 0.870 163 T HN -0.064 nan 8.240 nan 0.000 0.445 164 V N 1.683 121.685 119.914 0.148 0.000 2.332 164 V HA -0.142 3.978 4.120 0.000 0.000 0.248 164 V C 2.399 178.650 176.094 0.260 0.000 1.055 164 V CA 1.415 63.827 62.300 0.187 0.000 1.038 164 V CB -0.618 31.300 31.823 0.160 0.000 0.651 164 V HN 0.330 nan 8.190 nan 0.000 0.450 165 L N -0.343 121.054 121.223 0.290 0.000 2.017 165 L HA -0.118 4.222 4.340 0.000 0.000 0.208 165 L C 2.132 179.118 176.870 0.193 0.000 1.073 165 L CA 1.815 56.849 54.840 0.323 0.000 0.745 165 L CB -0.586 41.670 42.059 0.329 0.000 0.894 165 L HN 0.226 nan 8.230 nan 0.000 0.432 166 I N -1.152 119.527 120.570 0.182 0.000 2.286 166 I HA -0.314 3.856 4.170 0.000 0.000 0.248 166 I C 2.093 178.246 176.117 0.060 0.000 1.115 166 I CA 1.041 62.442 61.300 0.169 0.000 1.392 166 I CB 0.038 38.168 38.000 0.216 0.000 1.065 166 I HN 0.330 nan 8.210 nan 0.000 0.418 167 M N -0.378 119.255 119.600 0.055 0.000 2.200 167 M HA -0.185 4.295 4.480 0.000 0.000 0.265 167 M C 2.093 178.358 176.300 -0.059 0.000 1.066 167 M CA 1.487 56.774 55.300 -0.022 0.000 1.127 167 M CB -1.458 31.151 32.600 0.015 0.000 1.379 167 M HN 0.119 nan 8.290 nan 0.000 0.420 168 E N 0.869 121.036 120.200 -0.055 0.000 2.077 168 E HA -0.107 4.243 4.350 0.000 0.000 0.193 168 E C 2.061 178.560 176.600 -0.168 0.000 0.989 168 E CA 1.205 57.482 56.400 -0.205 0.000 0.800 168 E CB -0.324 29.020 29.700 -0.594 0.000 0.746 168 E HN 0.481 nan 8.360 nan 0.000 0.452 169 L N -0.030 121.151 121.223 -0.069 0.000 2.083 169 L HA -0.153 4.187 4.340 0.000 0.000 0.209 169 L C 2.440 179.320 176.870 0.017 0.000 1.083 169 L CA 0.982 55.848 54.840 0.043 0.000 0.752 169 L CB -0.384 41.805 42.059 0.216 0.000 0.899 169 L HN 0.219 nan 8.230 nan 0.000 0.433 170 I N 0.040 120.515 120.570 -0.158 0.000 2.226 170 I HA -0.327 3.844 4.170 0.000 0.000 0.245 170 I C 2.295 178.341 176.117 -0.118 0.000 1.100 170 I CA 1.641 62.760 61.300 -0.303 0.000 1.374 170 I CB -0.383 37.314 38.000 -0.506 0.000 1.057 170 I HN 0.351 nan 8.210 nan 0.000 0.413 171 N N 0.841 119.481 118.700 -0.101 0.000 2.223 171 N HA -0.180 4.560 4.740 0.000 0.000 0.185 171 N C 1.515 177.000 175.510 -0.043 0.000 1.016 171 N CA 1.530 54.539 53.050 -0.068 0.000 0.863 171 N CB 0.047 38.488 38.487 -0.078 0.000 0.983 171 N HN 0.228 nan 8.380 nan 0.000 0.429 172 N N -1.283 117.392 118.700 -0.041 0.000 2.439 172 N HA 0.082 4.822 4.740 0.000 0.000 0.176 172 N C 1.228 176.752 175.510 0.024 0.000 1.029 172 N CA 0.527 53.563 53.050 -0.024 0.000 0.886 172 N CB 0.250 38.701 38.487 -0.059 0.000 1.057 172 N HN 0.068 nan 8.380 nan 0.000 0.437 173 V N 0.333 120.283 119.914 0.061 0.000 2.788 173 V HA 0.239 4.359 4.120 0.000 0.000 0.241 173 V C 2.088 178.245 176.094 0.104 0.000 1.083 173 V CA 1.201 63.558 62.300 0.095 0.000 1.103 173 V CB -0.408 31.500 31.823 0.142 0.000 0.800 173 V HN 0.189 nan 8.190 nan 0.000 0.476 174 A N -0.158 122.729 122.820 0.112 0.000 1.897 174 A HA -0.147 4.173 4.320 0.000 0.000 0.215 174 A C 2.211 179.869 177.584 0.124 0.000 1.181 174 A CA 1.612 53.723 52.037 0.123 0.000 0.620 174 A CB -0.388 18.679 19.000 0.113 0.000 0.821 174 A HN 0.440 nan 8.150 nan 0.000 0.443 175 K N -0.284 120.157 120.400 0.069 0.000 2.034 175 K HA -0.167 4.153 4.320 0.000 0.000 0.214 175 K C 0.998 177.641 176.600 0.071 0.000 1.051 175 K CA 1.399 57.718 56.287 0.053 0.000 0.931 175 K CB -0.310 32.204 32.500 0.022 0.000 0.715 175 K HN 0.411 nan 8.250 nan 0.000 0.446 176 A N 1.637 124.505 122.820 0.081 0.000 3.094 176 A HA 0.097 4.417 4.320 0.000 0.000 0.288 176 A C -0.964 176.704 177.584 0.139 0.000 1.519 176 A CA -0.299 51.785 52.037 0.078 0.000 1.227 176 A CB -0.291 18.741 19.000 0.053 0.000 1.175 176 A HN 0.338 nan 8.150 nan 0.000 0.568 177 H N 0.732 119.811 119.070 0.015 0.000 2.934 177 H HA 0.387 4.943 4.556 0.000 0.000 0.340 177 H C -0.099 175.217 175.328 -0.021 0.000 1.008 177 H CA -0.105 55.948 56.048 0.009 0.000 1.317 177 H CB 1.641 31.427 29.762 0.039 0.000 1.670 177 H HN 0.411 nan 8.280 nan 0.000 0.516 178 G N 3.169 111.693 108.800 -0.460 0.000 3.717 178 G HA2 0.456 4.416 3.960 0.000 0.000 0.258 178 G HA3 0.456 4.416 3.960 0.000 0.000 0.258 178 G C 0.228 174.746 174.900 -0.637 0.000 1.088 178 G CA 0.304 45.154 45.100 -0.417 0.000 1.737 178 G HN 0.722 nan 8.290 nan 0.000 0.648 179 G N -0.632 107.637 108.800 -0.885 0.000 2.731 179 G HA2 0.550 4.510 3.960 0.000 0.000 0.309 179 G HA3 0.550 4.510 3.960 0.000 0.000 0.309 179 G C -1.514 173.180 174.900 -0.344 0.000 1.273 179 G CA -0.932 43.748 45.100 -0.699 0.000 0.798 179 G HN 0.158 nan 8.290 nan 0.000 0.509 180 Y N -0.337 119.934 120.300 -0.048 0.000 2.496 180 Y HA 0.675 5.225 4.550 0.000 0.000 0.331 180 Y C 0.582 176.521 175.900 0.065 0.000 1.140 180 Y CA -0.691 57.328 58.100 -0.134 0.000 1.166 180 Y CB 2.472 40.536 38.460 -0.659 0.000 1.249 180 Y HN 0.397 nan 8.280 nan 0.000 0.479 181 S N 0.879 116.732 115.700 0.254 0.000 2.568 181 S HA 0.686 5.156 4.470 0.000 0.000 0.293 181 S C -1.297 173.460 174.600 0.261 0.000 1.089 181 S CA -0.771 57.583 58.200 0.256 0.000 0.945 181 S CB 1.977 65.361 63.200 0.307 0.000 1.077 181 S HN 0.317 nan 8.310 nan 0.000 0.485 182 V N 2.756 122.830 119.914 0.267 0.000 2.531 182 V HA 0.529 4.649 4.120 0.000 0.000 0.301 182 V C -1.219 175.040 176.094 0.275 0.000 1.034 182 V CA -0.672 61.775 62.300 0.246 0.000 0.865 182 V CB 1.379 33.312 31.823 0.184 0.000 0.995 182 V HN 0.851 nan 8.190 nan 0.000 0.424 183 F N 3.808 123.834 119.950 0.126 0.000 2.444 183 F HA 0.800 5.327 4.527 0.000 0.000 0.342 183 F C 0.242 175.976 175.800 -0.110 0.000 1.121 183 F CA -0.462 57.580 58.000 0.071 0.000 0.997 183 F CB 1.351 40.386 39.000 0.059 0.000 1.130 183 F HN 0.576 nan 8.300 nan 0.000 0.454 184 A N 4.545 127.061 122.820 -0.506 0.000 2.291 184 A HA 0.634 4.955 4.320 0.000 0.000 0.311 184 A C -0.116 177.126 177.584 -0.569 0.000 1.224 184 A CA -0.412 51.370 52.037 -0.424 0.000 0.821 184 A CB 0.414 19.238 19.000 -0.294 0.000 1.172 184 A HN 1.012 nan 8.150 nan 0.000 0.494 185 G N 1.161 109.590 108.800 -0.619 0.000 2.338 185 G HA2 0.502 4.462 3.960 0.000 0.000 0.295 185 G HA3 0.502 4.462 3.960 0.000 0.000 0.295 185 G C -0.629 174.203 174.900 -0.113 0.000 1.132 185 G CA -0.121 44.793 45.100 -0.310 0.000 0.922 185 G HN 0.779 nan 8.290 nan 0.000 0.427 186 V N 2.639 122.529 119.914 -0.040 0.000 2.409 186 V HA 0.587 4.707 4.120 0.000 0.000 0.290 186 V C 1.047 177.167 176.094 0.043 0.000 1.017 186 V CA 0.195 62.492 62.300 -0.004 0.000 0.841 186 V CB 0.943 32.745 31.823 -0.034 0.000 1.003 186 V HN 1.386 nan 8.190 nan 0.000 0.426 187 G N 3.306 112.140 108.800 0.056 0.000 2.258 187 G HA2 -0.204 3.756 3.960 0.000 0.000 0.274 187 G HA3 -0.204 3.756 3.960 0.000 0.000 0.274 187 G C 0.247 175.185 174.900 0.062 0.000 1.021 187 G CA 0.712 45.841 45.100 0.050 0.000 0.798 187 G HN 0.595 nan 8.290 nan 0.000 0.507 188 E N -0.705 119.557 120.200 0.102 0.000 2.950 188 E HA 0.446 4.796 4.350 0.000 0.000 0.234 188 E C 0.895 177.563 176.600 0.114 0.000 0.936 188 E CA -0.907 55.561 56.400 0.112 0.000 1.114 188 E CB 0.467 30.260 29.700 0.155 0.000 1.555 188 E HN 0.350 nan 8.360 nan 0.000 0.488 189 R N 0.363 120.934 120.500 0.119 0.000 2.298 189 R HA 0.198 4.539 4.340 0.000 0.000 0.310 189 R C 1.142 177.495 176.300 0.089 0.000 1.068 189 R CA 0.052 56.205 56.100 0.088 0.000 0.957 189 R CB 0.462 30.808 30.300 0.076 0.000 1.003 189 R HN 0.389 nan 8.270 nan 0.000 0.454 190 T N 2.938 117.523 114.554 0.051 0.000 2.759 190 T HA -0.175 4.175 4.350 0.000 0.000 0.269 190 T C 1.676 176.361 174.700 -0.024 0.000 1.042 190 T CA 1.736 63.838 62.100 0.004 0.000 1.140 190 T CB -0.049 68.813 68.868 -0.010 0.000 0.864 190 T HN 0.571 nan 8.240 nan 0.000 0.455 191 R N 1.758 122.263 120.500 0.008 0.000 2.189 191 R HA 0.101 4.441 4.340 0.000 0.000 0.218 191 R C 1.845 178.157 176.300 0.020 0.000 1.074 191 R CA 1.314 57.421 56.100 0.012 0.000 0.991 191 R CB -0.599 29.716 30.300 0.025 0.000 0.883 191 R HN 0.362 nan 8.270 nan 0.000 0.457 192 E N 0.400 120.623 120.200 0.039 0.000 2.150 192 E HA -0.059 4.291 4.350 0.000 0.000 0.193 192 E C 1.988 178.600 176.600 0.021 0.000 0.985 192 E CA 1.086 57.518 56.400 0.054 0.000 0.814 192 E CB -0.191 29.572 29.700 0.104 0.000 0.752 192 E HN 0.660 nan 8.360 nan 0.000 0.466 193 G N 1.122 109.900 108.800 -0.037 0.000 2.402 193 G HA2 -0.330 3.630 3.960 0.000 0.000 0.216 193 G HA3 -0.330 3.630 3.960 0.000 0.000 0.216 193 G C 1.390 176.147 174.900 -0.240 0.000 1.162 193 G CA 0.981 45.895 45.100 -0.310 0.000 0.777 193 G HN 0.216 nan 8.290 nan 0.000 0.539 194 N N 0.564 119.192 118.700 -0.119 0.000 2.120 194 N HA -0.109 4.631 4.740 0.000 0.000 0.188 194 N C 1.721 177.318 175.510 0.144 0.000 1.024 194 N CA 1.600 54.669 53.050 0.033 0.000 0.852 194 N CB -0.076 38.458 38.487 0.079 0.000 1.003 194 N HN 0.133 nan 8.380 nan 0.000 0.424 195 D N 0.625 121.071 120.400 0.077 0.000 2.106 195 D HA -0.203 4.437 4.640 0.000 0.000 0.191 195 D C 2.015 178.336 176.300 0.034 0.000 0.997 195 D CA 0.914 54.955 54.000 0.070 0.000 0.834 195 D CB -0.615 40.208 40.800 0.038 0.000 0.956 195 D HN 0.356 nan 8.370 nan 0.000 0.448 196 L N -0.329 120.878 121.223 -0.027 0.000 2.017 196 L HA -0.242 4.098 4.340 0.000 0.000 0.208 196 L C 2.523 179.367 176.870 -0.044 0.000 1.073 196 L CA 1.367 56.153 54.840 -0.091 0.000 0.745 196 L CB -0.381 41.540 42.059 -0.231 0.000 0.894 196 L HN -0.031 nan 8.230 nan 0.000 0.432 197 Y N 0.442 120.629 120.300 -0.189 0.000 2.114 197 Y HA -0.354 4.197 4.550 0.001 0.000 0.282 197 Y C 2.415 178.160 175.900 -0.258 0.000 1.165 197 Y CA 2.414 60.359 58.100 -0.258 0.000 1.148 197 Y CB -0.596 37.623 38.460 -0.401 0.000 0.972 197 Y HN 0.402 nan 8.280 nan 0.000 0.504 198 H N -1.134 117.883 119.070 -0.088 0.000 2.502 198 H HA -0.026 4.530 4.556 0.000 0.000 0.283 198 H C 2.216 177.464 175.328 -0.133 0.000 1.015 198 H CA 0.943 56.890 56.048 -0.167 0.000 1.298 198 H CB 0.105 29.825 29.762 -0.070 0.000 1.411 198 H HN 0.407 nan 8.280 nan 0.000 0.556 199 E N 0.843 121.042 120.200 -0.002 0.000 2.072 199 E HA -0.154 4.196 4.350 0.000 0.000 0.191 199 E C 1.780 178.341 176.600 -0.065 0.000 0.985 199 E CA 0.862 57.244 56.400 -0.030 0.000 0.801 199 E CB 0.088 29.768 29.700 -0.033 0.000 0.750 199 E HN 0.492 nan 8.360 nan 0.000 0.452 200 M N 0.236 119.778 119.600 -0.097 0.000 2.296 200 M HA -0.100 4.380 4.480 0.000 0.000 0.265 200 M C 2.241 178.469 176.300 -0.120 0.000 1.064 200 M CA 0.944 56.186 55.300 -0.096 0.000 1.109 200 M CB -0.111 32.441 32.600 -0.080 0.000 1.396 200 M HN 0.144 nan 8.290 nan 0.000 0.430 201 I N -0.324 120.130 120.570 -0.193 0.000 2.252 201 I HA -0.231 3.939 4.170 0.000 0.000 0.245 201 I C 2.657 178.717 176.117 -0.095 0.000 1.102 201 I CA 1.012 62.202 61.300 -0.183 0.000 1.385 201 I CB -0.436 37.404 38.000 -0.267 0.000 1.064 201 I HN 0.286 nan 8.210 nan 0.000 0.414 202 E N 0.976 121.134 120.200 -0.071 0.000 2.072 202 E HA -0.187 4.163 4.350 0.000 0.000 0.191 202 E C 2.317 178.894 176.600 -0.039 0.000 0.985 202 E CA 1.834 58.208 56.400 -0.044 0.000 0.801 202 E CB -0.002 29.679 29.700 -0.031 0.000 0.750 202 E HN 0.495 nan 8.360 nan 0.000 0.452 203 S N -1.353 114.323 115.700 -0.041 0.000 2.461 203 S HA 0.071 4.541 4.470 0.000 0.000 0.228 203 S C 1.619 176.203 174.600 -0.027 0.000 1.005 203 S CA 1.046 59.228 58.200 -0.031 0.000 0.942 203 S CB 0.164 63.346 63.200 -0.030 0.000 0.776 203 S HN 0.351 nan 8.310 nan 0.000 0.514 204 G N 0.651 109.430 108.800 -0.036 0.000 2.157 204 G HA2 -0.326 3.634 3.960 0.000 0.000 0.248 204 G HA3 -0.326 3.634 3.960 0.000 0.000 0.248 204 G C 0.826 175.716 174.900 -0.017 0.000 0.979 204 G CA 0.627 45.710 45.100 -0.029 0.000 0.650 204 G HN 1.426 nan 8.290 nan 0.000 0.529 205 V N -1.589 118.315 119.914 -0.016 0.000 2.667 205 V HA 0.400 4.520 4.120 0.000 0.000 0.252 205 V C 1.316 177.413 176.094 0.005 0.000 1.065 205 V CA 1.427 63.730 62.300 0.006 0.000 1.083 205 V CB -0.107 31.727 31.823 0.017 0.000 0.692 205 V HN 0.463 nan 8.190 nan 0.000 0.468 206 I N 2.332 122.885 120.570 -0.027 0.000 2.354 206 I HA 0.424 4.594 4.170 0.000 0.000 0.292 206 I C -0.460 175.626 176.117 -0.052 0.000 0.989 206 I CA -0.204 61.075 61.300 -0.035 0.000 1.188 206 I CB 1.356 39.314 38.000 -0.070 0.000 1.342 206 I HN 0.221 nan 8.210 nan 0.000 0.457 207 N N 6.919 125.603 118.700 -0.027 0.000 2.407 207 N HA 0.340 5.080 4.740 0.000 0.000 0.277 207 N C 0.192 175.691 175.510 -0.018 0.000 0.995 207 N CA -0.437 52.597 53.050 -0.027 0.000 0.903 207 N CB 2.029 40.509 38.487 -0.012 0.000 1.218 207 N HN 0.584 nan 8.380 nan 0.000 0.487 208 L N 2.797 124.005 121.223 -0.025 0.000 2.599 208 L HA 0.103 4.443 4.340 0.000 0.000 0.230 208 L C 1.519 178.391 176.870 0.002 0.000 1.141 208 L CA 0.639 55.475 54.840 -0.006 0.000 0.877 208 L CB 0.118 42.171 42.059 -0.011 0.000 1.009 208 L HN 0.437 nan 8.230 nan 0.000 0.447 209 K N -1.483 118.916 120.400 -0.002 0.000 2.462 209 K HA 0.167 4.487 4.320 0.000 0.000 0.201 209 K C -0.037 176.564 176.600 0.003 0.000 1.268 209 K CA -0.224 56.064 56.287 0.001 0.000 0.933 209 K CB 0.672 33.172 32.500 -0.001 0.000 1.162 209 K HN 0.072 nan 8.250 nan 0.000 0.527 210 D N 0.569 120.970 120.400 0.002 0.000 2.451 210 D HA 0.219 4.859 4.640 0.000 0.000 0.259 210 D C 0.260 176.564 176.300 0.007 0.000 1.201 210 D CA -0.169 53.833 54.000 0.005 0.000 1.028 210 D CB 1.057 41.860 40.800 0.005 0.000 1.095 210 D HN 0.085 nan 8.370 nan 0.000 0.539 211 A N -0.485 122.341 122.820 0.010 0.000 2.460 211 A HA 0.096 4.416 4.320 0.000 0.000 0.258 211 A C 1.162 178.756 177.584 0.017 0.000 1.300 211 A CA 0.074 52.118 52.037 0.011 0.000 0.913 211 A CB -0.565 18.444 19.000 0.014 0.000 1.031 211 A HN 0.474 nan 8.150 nan 0.000 0.512 212 T N -2.360 112.205 114.554 0.019 0.000 3.188 212 T HA 0.169 4.519 4.350 0.000 0.000 0.250 212 T C 0.510 175.230 174.700 0.033 0.000 1.077 212 T CA 0.156 62.274 62.100 0.031 0.000 0.967 212 T CB -0.481 68.401 68.868 0.023 0.000 1.006 212 T HN 0.124 nan 8.240 nan 0.000 0.552 213 S N 2.231 117.941 115.700 0.017 0.000 2.537 213 S HA 0.207 4.677 4.470 0.000 0.000 0.286 213 S C 1.008 175.621 174.600 0.021 0.000 1.299 213 S CA -0.565 57.644 58.200 0.015 0.000 1.067 213 S CB 0.739 63.943 63.200 0.006 0.000 0.864 213 S HN 0.303 nan 8.310 nan 0.000 0.494 214 K N 1.463 121.900 120.400 0.062 0.000 2.358 214 K HA 0.218 4.538 4.320 0.000 0.000 0.200 214 K C -0.303 176.365 176.600 0.113 0.000 1.030 214 K CA 0.233 56.603 56.287 0.139 0.000 1.097 214 K CB 0.584 33.185 32.500 0.168 0.000 0.862 214 K HN 0.389 nan 8.250 nan 0.000 0.534 215 V N 1.099 121.058 119.914 0.075 0.000 2.604 215 V HA 0.542 4.662 4.120 0.000 0.000 0.305 215 V C -0.390 175.771 176.094 0.112 0.000 1.043 215 V CA -1.391 60.979 62.300 0.116 0.000 0.888 215 V CB 1.708 33.615 31.823 0.140 0.000 0.995 215 V HN 0.088 nan 8.190 nan 0.000 0.429 216 A N 5.346 128.266 122.820 0.166 0.000 2.292 216 A HA 0.866 5.186 4.320 0.000 0.000 0.319 216 A C -0.749 176.954 177.584 0.197 0.000 1.206 216 A CA -0.474 51.672 52.037 0.181 0.000 0.835 216 A CB 0.542 19.690 19.000 0.246 0.000 1.164 216 A HN 0.806 nan 8.150 nan 0.000 0.505 217 L N 2.683 124.019 121.223 0.188 0.000 2.329 217 L HA 0.674 5.015 4.340 0.000 0.000 0.279 217 L C -0.950 176.035 176.870 0.190 0.000 1.014 217 L CA -0.865 54.120 54.840 0.243 0.000 0.814 217 L CB 1.882 44.144 42.059 0.339 0.000 1.257 217 L HN 0.419 nan 8.230 nan 0.000 0.424 218 V N 2.968 122.950 119.914 0.113 0.000 2.623 218 V HA 0.472 4.592 4.120 0.000 0.000 0.304 218 V C -1.396 174.653 176.094 -0.075 0.000 1.054 218 V CA -0.661 61.670 62.300 0.052 0.000 0.882 218 V CB 1.964 33.777 31.823 -0.017 0.000 1.002 218 V HN 0.466 nan 8.190 nan 0.000 0.424 219 Y N 1.507 121.832 120.300 0.043 0.000 2.457 219 Y HA 0.764 5.314 4.550 -0.000 0.000 0.343 219 Y C 0.456 176.372 175.900 0.026 0.000 0.994 219 Y CA -0.637 57.492 58.100 0.049 0.000 1.031 219 Y CB 2.902 41.385 38.460 0.039 0.000 1.246 219 Y HN 0.728 nan 8.280 nan 0.000 0.449 220 G N 3.695 112.596 108.800 0.169 0.000 2.770 220 G HA2 0.388 4.348 3.960 0.000 0.000 0.298 220 G HA3 0.388 4.348 3.960 0.000 0.000 0.298 220 G C -1.191 173.775 174.900 0.110 0.000 1.534 220 G CA -0.556 44.610 45.100 0.111 0.000 1.046 220 G HN 0.298 nan 8.290 nan 0.000 0.548 221 Q N 1.391 121.268 119.800 0.127 0.000 2.239 221 Q HA 0.310 4.650 4.340 0.000 0.000 0.193 221 Q C 1.986 178.027 176.000 0.068 0.000 1.004 221 Q CA -0.868 55.007 55.803 0.121 0.000 1.040 221 Q CB 0.856 29.680 28.738 0.144 0.000 1.149 221 Q HN 0.745 nan 8.270 nan 0.000 0.535 222 M N -0.926 118.708 119.600 0.057 0.000 2.700 222 M HA -0.021 4.460 4.480 0.000 0.000 0.249 222 M C 0.553 176.867 176.300 0.023 0.000 1.082 222 M CA 1.434 56.753 55.300 0.031 0.000 1.077 222 M CB -0.753 31.860 32.600 0.022 0.000 1.477 222 M HN 0.520 nan 8.290 nan 0.000 0.529 223 N N -0.396 118.320 118.700 0.027 0.000 2.398 223 N HA 0.056 4.796 4.740 0.000 0.000 0.188 223 N C -0.287 175.232 175.510 0.016 0.000 1.122 223 N CA -0.243 52.818 53.050 0.018 0.000 0.866 223 N CB 0.163 38.659 38.487 0.016 0.000 0.970 223 N HN 0.315 nan 8.380 nan 0.000 0.462 224 E N 1.899 122.111 120.200 0.020 0.000 2.277 224 E HA 0.305 4.655 4.350 0.000 0.000 0.274 224 E C -2.194 174.411 176.600 0.009 0.000 1.022 224 E CA -2.158 54.253 56.400 0.018 0.000 0.853 224 E CB 1.195 30.911 29.700 0.027 0.000 1.086 224 E HN 0.172 nan 8.360 nan 0.000 0.397 225 P HA 0.098 nan 4.420 nan 0.000 0.272 225 P C -1.971 175.326 177.300 -0.004 0.000 1.240 225 P CA -1.136 61.964 63.100 0.000 0.000 0.791 225 P CB 0.121 31.822 31.700 0.001 0.000 0.978 226 P HA -0.163 nan 4.420 nan 0.000 0.218 226 P C 1.633 178.920 177.300 -0.021 0.000 1.148 226 P CA 1.864 64.947 63.100 -0.028 0.000 0.822 226 P CB -0.646 31.031 31.700 -0.039 0.000 0.784 227 G N 0.589 109.385 108.800 -0.007 0.000 2.418 227 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 227 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 227 G C 1.823 176.735 174.900 0.019 0.000 1.158 227 G CA 1.123 46.227 45.100 0.006 0.000 0.771 227 G HN 0.368 nan 8.290 nan 0.000 0.545 228 A N 0.678 123.509 122.820 0.018 0.000 1.877 228 A HA 0.012 4.333 4.320 0.000 0.000 0.216 228 A C 2.426 180.028 177.584 0.029 0.000 1.186 228 A CA 1.605 53.656 52.037 0.024 0.000 0.620 228 A CB -0.397 18.617 19.000 0.023 0.000 0.822 228 A HN 0.338 nan 8.150 nan 0.000 0.443 229 R N -0.705 119.807 120.500 0.020 0.000 2.120 229 R HA -0.046 4.294 4.340 0.000 0.000 0.234 229 R C 2.227 178.557 176.300 0.050 0.000 1.123 229 R CA 1.056 57.170 56.100 0.024 0.000 0.975 229 R CB -0.332 29.967 30.300 -0.001 0.000 0.866 229 R HN 0.511 nan 8.270 nan 0.000 0.446 230 A N 0.345 123.184 122.820 0.031 0.000 2.119 230 A HA -0.016 4.304 4.320 0.000 0.000 0.216 230 A C 1.729 179.442 177.584 0.214 0.000 1.152 230 A CA 0.783 52.858 52.037 0.063 0.000 0.708 230 A CB 0.109 19.070 19.000 -0.066 0.000 0.805 230 A HN 0.063 nan 8.150 nan 0.000 0.460 231 R N -0.904 119.664 120.500 0.114 0.000 2.316 231 R HA 0.082 4.422 4.340 0.000 0.000 0.201 231 R C 1.789 178.094 176.300 0.007 0.000 0.888 231 R CA 1.188 57.328 56.100 0.067 0.000 1.041 231 R CB -0.582 29.742 30.300 0.040 0.000 1.115 231 R HN 0.442 nan 8.270 nan 0.000 0.559 232 V N 0.246 120.168 119.914 0.014 0.000 2.568 232 V HA -0.136 3.984 4.120 0.000 0.000 0.253 232 V C 2.475 178.529 176.094 -0.066 0.000 1.072 232 V CA 1.832 64.120 62.300 -0.020 0.000 1.084 232 V CB -1.223 30.595 31.823 -0.007 0.000 0.676 232 V HN 0.133 nan 8.190 nan 0.000 0.469 233 A N 0.849 123.625 122.820 -0.074 0.000 1.933 233 A HA -0.071 4.249 4.320 0.000 0.000 0.218 233 A C 2.246 179.714 177.584 -0.193 0.000 1.175 233 A CA 1.940 53.878 52.037 -0.165 0.000 0.628 233 A CB -0.535 18.315 19.000 -0.250 0.000 0.814 233 A HN 0.538 nan 8.150 nan 0.000 0.444 234 L N -0.728 120.386 121.223 -0.181 0.000 2.046 234 L HA -0.154 4.186 4.340 0.000 0.000 0.208 234 L C 2.748 179.523 176.870 -0.159 0.000 1.077 234 L CA 1.821 56.540 54.840 -0.201 0.000 0.747 234 L CB -1.392 40.511 42.059 -0.258 0.000 0.896 234 L HN 0.355 nan 8.230 nan 0.000 0.432 235 T N 0.016 114.496 114.554 -0.123 0.000 2.708 235 T HA -0.134 4.216 4.350 0.000 0.000 0.266 235 T C 1.879 176.530 174.700 -0.083 0.000 1.037 235 T CA 1.495 63.542 62.100 -0.088 0.000 1.146 235 T CB -0.608 68.227 68.868 -0.055 0.000 0.865 235 T HN 0.547 nan 8.240 nan 0.000 0.435 236 G N 1.257 110.002 108.800 -0.092 0.000 2.402 236 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 236 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 236 G C 1.539 176.388 174.900 -0.084 0.000 1.162 236 G CA 0.600 45.649 45.100 -0.084 0.000 0.777 236 G HN 0.500 nan 8.290 nan 0.000 0.539 237 L N 0.560 121.714 121.223 -0.116 0.000 2.083 237 L HA -0.068 4.272 4.340 0.000 0.000 0.209 237 L C 2.800 179.619 176.870 -0.086 0.000 1.083 237 L CA 2.064 56.836 54.840 -0.114 0.000 0.752 237 L CB -0.600 41.365 42.059 -0.156 0.000 0.899 237 L HN 0.196 nan 8.230 nan 0.000 0.433 238 T N -0.123 114.376 114.554 -0.092 0.000 2.684 238 T HA -0.184 4.166 4.350 0.000 0.000 0.267 238 T C 1.962 176.613 174.700 -0.082 0.000 1.036 238 T CA 1.712 63.766 62.100 -0.077 0.000 1.148 238 T CB -0.437 68.384 68.868 -0.078 0.000 0.863 238 T HN 0.259 nan 8.240 nan 0.000 0.436 239 V N 1.881 121.734 119.914 -0.101 0.000 2.287 239 V HA -0.227 3.894 4.120 0.000 0.000 0.248 239 V C 2.908 178.915 176.094 -0.145 0.000 1.053 239 V CA 1.821 64.021 62.300 -0.167 0.000 1.027 239 V CB -1.309 30.458 31.823 -0.094 0.000 0.646 239 V HN 0.556 nan 8.190 nan 0.000 0.447 240 A N -0.527 122.293 122.820 0.001 0.000 1.902 240 A HA -0.244 4.076 4.320 0.000 0.000 0.217 240 A C 2.180 179.812 177.584 0.079 0.000 1.181 240 A CA 1.853 53.956 52.037 0.109 0.000 0.623 240 A CB -0.495 18.539 19.000 0.056 0.000 0.818 240 A HN 0.631 nan 8.150 nan 0.000 0.443 241 E N -1.588 118.617 120.200 0.008 0.000 2.085 241 E HA -0.249 4.101 4.350 0.000 0.000 0.194 241 E C 1.848 178.453 176.600 0.008 0.000 0.994 241 E CA 1.608 58.009 56.400 0.002 0.000 0.801 241 E CB -0.355 29.335 29.700 -0.018 0.000 0.743 241 E HN 0.813 nan 8.360 nan 0.000 0.453 242 Y N 0.493 120.701 120.300 -0.153 0.000 2.097 242 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 242 Y C 1.900 177.755 175.900 -0.076 0.000 1.152 242 Y CA 1.769 59.756 58.100 -0.189 0.000 1.136 242 Y CB -0.422 37.816 38.460 -0.370 0.000 0.975 242 Y HN -0.019 nan 8.280 nan 0.000 0.498 243 F N -0.060 120.026 119.950 0.227 0.000 2.171 243 F HA -0.216 4.311 4.527 0.000 0.000 0.300 243 F C 2.782 178.606 175.800 0.040 0.000 1.090 243 F CA 1.275 59.387 58.000 0.186 0.000 1.293 243 F CB -0.343 38.827 39.000 0.284 0.000 1.013 243 F HN -0.011 nan 8.300 nan 0.000 0.486 244 R N 0.585 121.192 120.500 0.179 0.000 2.066 244 R HA -0.151 4.190 4.340 0.000 0.000 0.232 244 R C 1.455 177.753 176.300 -0.003 0.000 1.131 244 R CA 2.097 58.241 56.100 0.074 0.000 0.955 244 R CB -0.218 30.106 30.300 0.041 0.000 0.851 244 R HN 0.178 nan 8.270 nan 0.000 0.432 245 D N -0.162 120.198 120.400 -0.066 0.000 2.290 245 D HA -0.046 4.594 4.640 0.000 0.000 0.224 245 D C 1.269 177.460 176.300 -0.181 0.000 0.967 245 D CA 0.775 54.710 54.000 -0.110 0.000 0.893 245 D CB -0.072 40.662 40.800 -0.110 0.000 1.037 245 D HN 0.115 nan 8.370 nan 0.000 0.477 246 Q N 0.322 119.894 119.800 -0.380 0.000 2.253 246 Q HA 0.134 4.474 4.340 0.000 0.000 0.210 246 Q C 0.297 176.095 176.000 -0.337 0.000 0.907 246 Q CA 0.318 55.811 55.803 -0.517 0.000 0.948 246 Q CB 1.039 29.099 28.738 -1.130 0.000 1.033 246 Q HN 0.385 nan 8.270 nan 0.000 0.471 247 E N -1.604 118.514 120.200 -0.138 0.000 2.673 247 E HA 0.167 4.517 4.350 0.000 0.000 0.215 247 E C 0.702 177.294 176.600 -0.013 0.000 0.935 247 E CA 0.501 56.900 56.400 -0.002 0.000 1.341 247 E CB 0.673 30.464 29.700 0.151 0.000 1.277 247 E HN 0.307 nan 8.360 nan 0.000 0.667 248 G N 1.522 110.303 108.800 -0.032 0.000 2.186 248 G HA2 -0.343 3.617 3.960 0.000 0.000 0.266 248 G HA3 -0.343 3.617 3.960 0.000 0.000 0.266 248 G C 0.387 175.279 174.900 -0.013 0.000 0.982 248 G CA 1.068 46.152 45.100 -0.026 0.000 0.670 248 G HN 0.215 nan 8.290 nan 0.000 0.533 249 Q N 0.373 120.177 119.800 0.007 0.000 2.185 249 Q HA 0.528 4.868 4.340 0.000 0.000 0.225 249 Q C -0.266 175.740 176.000 0.011 0.000 0.983 249 Q CA -0.721 55.071 55.803 -0.018 0.000 0.950 249 Q CB 0.537 29.230 28.738 -0.074 0.000 1.176 249 Q HN 0.218 nan 8.270 nan 0.000 0.510 250 D N 0.304 120.699 120.400 -0.007 0.000 2.336 250 D HA 0.238 4.878 4.640 0.000 0.000 0.249 250 D C -0.936 175.462 176.300 0.165 0.000 1.213 250 D CA 0.055 54.098 54.000 0.073 0.000 0.870 250 D CB 0.531 41.388 40.800 0.095 0.000 1.076 250 D HN 0.087 nan 8.370 nan 0.000 0.483 251 V N 3.493 123.486 119.914 0.132 0.000 2.547 251 V HA 0.417 4.537 4.120 0.000 0.000 0.299 251 V C 0.337 176.433 176.094 0.004 0.000 1.040 251 V CA -0.883 61.501 62.300 0.140 0.000 0.913 251 V CB 1.717 33.633 31.823 0.156 0.000 0.992 251 V HN 0.309 nan 8.190 nan 0.000 0.449 252 L N 4.770 125.956 121.223 -0.061 0.000 2.309 252 L HA 0.609 4.949 4.340 0.000 0.000 0.282 252 L C -0.804 175.933 176.870 -0.223 0.000 1.036 252 L CA -0.599 54.081 54.840 -0.266 0.000 0.806 252 L CB 1.610 43.474 42.059 -0.325 0.000 1.220 252 L HN 0.425 nan 8.230 nan 0.000 0.429 253 L N 3.707 124.676 121.223 -0.424 0.000 2.372 253 L HA 0.556 4.896 4.340 0.000 0.000 0.273 253 L C -1.299 175.238 176.870 -0.553 0.000 0.989 253 L CA 0.063 54.710 54.840 -0.321 0.000 0.841 253 L CB 0.952 42.884 42.059 -0.212 0.000 1.225 253 L HN 0.211 nan 8.230 nan 0.000 0.414 254 F N 5.850 125.696 119.950 -0.173 0.000 2.436 254 F HA 0.614 5.141 4.527 -0.000 0.000 0.340 254 F C 0.079 175.513 175.800 -0.610 0.000 1.113 254 F CA -0.453 57.369 58.000 -0.296 0.000 1.022 254 F CB 1.402 40.324 39.000 -0.131 0.000 1.128 254 F HN 0.225 nan 8.300 nan 0.000 0.466 255 I N 2.803 123.157 120.570 -0.361 0.000 2.447 255 I HA 0.286 4.456 4.170 0.000 0.000 0.287 255 I C -1.302 174.615 176.117 -0.335 0.000 1.023 255 I CA -0.532 60.501 61.300 -0.446 0.000 1.083 255 I CB 1.916 39.740 38.000 -0.292 0.000 1.245 255 I HN 0.429 nan 8.210 nan 0.000 0.434 256 D N 6.295 126.473 120.400 -0.370 0.000 2.473 256 D HA 0.285 4.925 4.640 0.000 0.000 0.253 256 D C -1.291 175.003 176.300 -0.009 0.000 1.233 256 D CA -0.245 53.714 54.000 -0.068 0.000 0.908 256 D CB 1.101 41.986 40.800 0.141 0.000 1.170 256 D HN 0.417 nan 8.370 nan 0.000 0.558 257 N N 4.562 123.273 118.700 0.018 0.000 2.430 257 N HA 0.124 4.864 4.740 0.000 0.000 0.290 257 N C 0.510 176.055 175.510 0.057 0.000 1.063 257 N CA -0.488 52.591 53.050 0.050 0.000 0.883 257 N CB 1.529 40.096 38.487 0.132 0.000 1.465 257 N HN 0.276 nan 8.380 nan 0.000 0.493 258 I N 4.063 124.640 120.570 0.013 0.000 2.567 258 I HA -0.123 4.047 4.170 0.000 0.000 0.257 258 I C 1.696 177.897 176.117 0.140 0.000 1.184 258 I CA 0.900 62.208 61.300 0.013 0.000 1.451 258 I CB -0.579 37.366 38.000 -0.091 0.000 1.089 258 I HN 0.634 nan 8.210 nan 0.000 0.441 259 F N 1.431 121.413 119.950 0.054 0.000 2.202 259 F HA -0.219 4.308 4.527 0.000 0.000 0.301 259 F C 2.287 178.164 175.800 0.128 0.000 1.082 259 F CA 1.456 59.525 58.000 0.114 0.000 1.313 259 F CB -0.364 38.741 39.000 0.174 0.000 1.024 259 F HN -0.027 nan 8.300 nan 0.000 0.495 260 R N 0.038 120.515 120.500 -0.038 0.000 2.193 260 R HA -0.188 4.152 4.340 0.000 0.000 0.229 260 R C 2.165 178.373 176.300 -0.154 0.000 1.110 260 R CA 1.341 57.341 56.100 -0.167 0.000 0.988 260 R CB -1.726 28.578 30.300 0.006 0.000 0.871 260 R HN 0.512 nan 8.270 nan 0.000 0.458 261 F N 1.688 121.526 119.950 -0.187 0.000 2.134 261 F HA -0.175 4.353 4.527 0.002 0.000 0.299 261 F C 1.946 177.644 175.800 -0.169 0.000 1.097 261 F CA 1.630 59.542 58.000 -0.148 0.000 1.264 261 F CB -0.372 38.557 39.000 -0.117 0.000 1.001 261 F HN -0.138 nan 8.300 nan 0.000 0.479 262 T N 0.203 114.512 114.554 -0.408 0.000 2.770 262 T HA -0.218 4.132 4.350 0.000 0.000 0.263 262 T C 1.890 176.355 174.700 -0.393 0.000 1.039 262 T CA 1.498 63.315 62.100 -0.472 0.000 1.142 262 T CB -0.418 68.327 68.868 -0.205 0.000 0.868 262 T HN 0.435 nan 8.240 nan 0.000 0.435 263 Q N 0.671 120.137 119.800 -0.557 0.000 2.077 263 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 263 Q C 2.440 178.294 176.000 -0.244 0.000 0.989 263 Q CA 1.783 57.344 55.803 -0.404 0.000 0.853 263 Q CB -0.326 28.038 28.738 -0.623 0.000 0.907 263 Q HN 0.534 nan 8.270 nan 0.000 0.418 264 A N 0.255 122.918 122.820 -0.262 0.000 1.902 264 A HA -0.122 4.198 4.320 0.000 0.000 0.217 264 A C 2.267 179.736 177.584 -0.192 0.000 1.181 264 A CA 1.646 53.573 52.037 -0.183 0.000 0.623 264 A CB -1.293 17.620 19.000 -0.145 0.000 0.818 264 A HN 0.619 nan 8.150 nan 0.000 0.443 265 G N -0.977 107.643 108.800 -0.300 0.000 2.432 265 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 265 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 265 G C 1.883 176.703 174.900 -0.133 0.000 1.135 265 G CA 1.464 46.409 45.100 -0.259 0.000 0.767 265 G HN 0.573 nan 8.290 nan 0.000 0.550 266 S N 0.397 116.040 115.700 -0.095 0.000 2.368 266 S HA -0.121 4.349 4.470 0.000 0.000 0.225 266 S C 2.240 176.807 174.600 -0.055 0.000 1.030 266 S CA 1.860 60.044 58.200 -0.028 0.000 0.999 266 S CB -0.288 62.905 63.200 -0.011 0.000 0.844 266 S HN 0.608 nan 8.310 nan 0.000 0.459 267 E N 0.325 120.483 120.200 -0.070 0.000 2.106 267 E HA -0.095 4.255 4.350 0.000 0.000 0.192 267 E C 2.117 178.691 176.600 -0.043 0.000 0.984 267 E CA 1.536 57.903 56.400 -0.055 0.000 0.806 267 E CB -0.199 29.468 29.700 -0.055 0.000 0.750 267 E HN 0.673 nan 8.360 nan 0.000 0.458 268 V N -1.801 118.084 119.914 -0.047 0.000 3.235 268 V HA 0.015 4.135 4.120 0.000 0.000 0.259 268 V C 2.177 178.256 176.094 -0.025 0.000 1.133 268 V CA 1.169 63.449 62.300 -0.032 0.000 1.128 268 V CB 0.427 32.231 31.823 -0.030 0.000 0.757 268 V HN 0.104 nan 8.190 nan 0.000 0.469 269 S N 1.311 116.994 115.700 -0.028 0.000 2.382 269 S HA -0.112 4.358 4.470 0.000 0.000 0.228 269 S C 2.125 176.720 174.600 -0.008 0.000 1.027 269 S CA 1.855 60.046 58.200 -0.015 0.000 0.991 269 S CB -0.416 62.778 63.200 -0.009 0.000 0.823 269 S HN 0.956 nan 8.310 nan 0.000 0.469 270 A N 1.536 124.349 122.820 -0.011 0.000 1.873 270 A HA 0.118 4.438 4.320 0.000 0.000 0.215 270 A C 2.153 179.733 177.584 -0.006 0.000 1.186 270 A CA 1.334 53.366 52.037 -0.008 0.000 0.616 270 A CB -0.799 18.193 19.000 -0.013 0.000 0.823 270 A HN 0.583 nan 8.150 nan 0.000 0.442 271 L N -0.526 120.692 121.223 -0.008 0.000 2.265 271 L HA -0.108 4.232 4.340 0.000 0.000 0.215 271 L C 2.065 178.935 176.870 -0.000 0.000 1.117 271 L CA 0.576 55.413 54.840 -0.005 0.000 0.782 271 L CB -0.482 41.572 42.059 -0.007 0.000 0.914 271 L HN 0.347 nan 8.230 nan 0.000 0.441 272 L N -0.339 120.883 121.223 -0.001 0.000 2.492 272 L HA 0.082 4.422 4.340 0.000 0.000 0.223 272 L C 1.541 178.415 176.870 0.007 0.000 1.132 272 L CA 0.668 55.511 54.840 0.004 0.000 0.850 272 L CB -0.385 41.676 42.059 0.002 0.000 0.966 272 L HN 0.516 nan 8.230 nan 0.000 0.454 273 G N 0.411 109.214 108.800 0.005 0.000 2.141 273 G HA2 -0.271 3.689 3.960 0.000 0.000 0.242 273 G HA3 -0.271 3.689 3.960 0.000 0.000 0.242 273 G C 0.185 175.090 174.900 0.008 0.000 0.982 273 G CA -0.269 44.835 45.100 0.006 0.000 0.662 273 G HN 0.269 nan 8.290 nan 0.000 0.527 274 R N -0.116 120.389 120.500 0.008 0.000 2.490 274 R HA 0.567 4.907 4.340 0.000 0.000 0.280 274 R C 1.157 177.464 176.300 0.012 0.000 1.077 274 R CA -0.380 55.726 56.100 0.011 0.000 1.065 274 R CB 0.491 30.798 30.300 0.012 0.000 1.003 274 R HN 0.353 nan 8.270 nan 0.000 0.470 275 I N 5.697 126.276 120.570 0.014 0.000 2.598 275 I HA 0.050 4.220 4.170 0.000 0.000 0.284 275 I C -1.500 174.630 176.117 0.022 0.000 1.140 275 I CA -1.432 59.877 61.300 0.016 0.000 1.420 275 I CB 0.294 38.304 38.000 0.016 0.000 1.387 275 I HN 0.373 nan 8.210 nan 0.000 0.553 276 P HA 0.037 nan 4.420 nan 0.000 0.269 276 P C -0.352 176.976 177.300 0.046 0.000 1.215 276 P CA -0.152 62.967 63.100 0.033 0.000 0.780 276 P CB 1.177 32.889 31.700 0.020 0.000 0.898 277 S N 0.534 116.278 115.700 0.073 0.000 2.667 277 S HA 0.643 5.113 4.470 0.000 0.000 0.292 277 S C -0.164 174.498 174.600 0.104 0.000 1.108 277 S CA -0.460 57.790 58.200 0.083 0.000 0.992 277 S CB 0.351 63.606 63.200 0.092 0.000 1.269 277 S HN 0.603 nan 8.310 nan 0.000 0.528 278 A N 0.416 123.305 122.820 0.116 0.000 2.531 278 A HA 0.390 4.710 4.320 0.000 0.000 0.236 278 A C 0.993 178.689 177.584 0.187 0.000 1.062 278 A CA 0.448 52.560 52.037 0.125 0.000 0.760 278 A CB -0.879 18.189 19.000 0.113 0.000 0.995 278 A HN 1.691 nan 8.150 nan 0.000 0.501 279 V N 0.878 120.867 119.914 0.124 0.000 4.112 279 V HA -0.307 3.813 4.120 0.000 0.000 0.233 279 V C 1.752 177.825 176.094 -0.034 0.000 0.458 279 V CA 1.552 63.902 62.300 0.084 0.000 0.909 279 V CB -2.593 29.334 31.823 0.174 0.000 0.963 279 V HN 2.937 nan 8.190 nan 0.000 1.260 280 G N -2.442 106.356 108.800 -0.002 0.000 2.162 280 G HA2 -0.357 3.603 3.960 0.000 0.000 0.260 280 G HA3 -0.357 3.603 3.960 0.000 0.000 0.260 280 G C -0.081 174.781 174.900 -0.065 0.000 0.976 280 G CA 0.498 45.565 45.100 -0.054 0.000 0.655 280 G HN 0.909 nan 8.290 nan 0.000 0.533 281 Y N 1.561 121.877 120.300 0.026 0.000 2.314 281 Y HA 0.360 4.910 4.550 0.001 0.000 0.334 281 Y C 1.510 177.410 175.900 0.001 0.000 1.266 281 Y CA -0.138 57.971 58.100 0.014 0.000 1.391 281 Y CB 0.490 38.968 38.460 0.031 0.000 1.306 281 Y HN 0.400 nan 8.280 nan 0.000 0.558 282 Q N 3.554 123.475 119.800 0.201 0.000 2.304 282 Q HA -0.045 4.295 4.340 0.000 0.000 0.301 282 Q C -2.314 173.734 176.000 0.080 0.000 1.063 282 Q CA -1.133 54.724 55.803 0.091 0.000 0.947 282 Q CB 0.503 29.264 28.738 0.039 0.000 1.201 282 Q HN 0.415 nan 8.270 nan 0.000 0.389 283 P HA -0.072 nan 4.420 nan 0.000 0.230 283 P C 0.789 178.109 177.300 0.033 0.000 1.158 283 P CA 1.182 64.308 63.100 0.045 0.000 0.769 283 P CB -0.033 31.688 31.700 0.035 0.000 0.807 284 T N -4.006 110.563 114.554 0.026 0.000 3.163 284 T HA 0.148 4.498 4.350 0.000 0.000 0.252 284 T C 1.535 176.247 174.700 0.019 0.000 1.056 284 T CA -0.326 61.787 62.100 0.022 0.000 0.947 284 T CB -0.937 67.940 68.868 0.016 0.000 1.016 284 T HN -0.048 nan 8.240 nan 0.000 0.554 285 L N 1.121 122.349 121.223 0.007 0.000 1.997 285 L HA -0.137 4.203 4.340 0.000 0.000 0.216 285 L C 2.777 179.663 176.870 0.025 0.000 1.074 285 L CA 2.176 57.002 54.840 -0.023 0.000 0.763 285 L CB -0.654 41.351 42.059 -0.091 0.000 0.890 285 L HN 0.406 nan 8.230 nan 0.000 0.434 286 A N -1.145 121.702 122.820 0.043 0.000 1.930 286 A HA -0.153 4.167 4.320 0.000 0.000 0.215 286 A C 2.319 179.967 177.584 0.106 0.000 1.176 286 A CA 1.736 53.826 52.037 0.087 0.000 0.632 286 A CB -1.030 18.015 19.000 0.075 0.000 0.819 286 A HN 0.632 nan 8.150 nan 0.000 0.445 287 T N -2.141 112.460 114.554 0.078 0.000 2.857 287 T HA -0.117 4.233 4.350 0.000 0.000 0.266 287 T C 1.312 176.067 174.700 0.093 0.000 1.048 287 T CA 1.373 63.519 62.100 0.077 0.000 1.139 287 T CB -0.439 68.461 68.868 0.055 0.000 0.874 287 T HN 0.317 nan 8.240 nan 0.000 0.455 288 D N 1.043 121.507 120.400 0.106 0.000 2.123 288 D HA -0.067 4.573 4.640 0.000 0.000 0.196 288 D C 1.975 178.440 176.300 0.275 0.000 0.992 288 D CA 1.119 55.230 54.000 0.185 0.000 0.833 288 D CB -0.412 40.466 40.800 0.131 0.000 0.954 288 D HN 0.397 nan 8.370 nan 0.000 0.455 289 M N 0.416 120.153 119.600 0.229 0.000 2.132 289 M HA -0.068 4.412 4.480 0.000 0.000 0.263 289 M C 2.048 178.302 176.300 -0.076 0.000 1.065 289 M CA 1.887 57.276 55.300 0.148 0.000 1.122 289 M CB -0.177 32.512 32.600 0.149 0.000 1.365 289 M HN 0.024 nan 8.290 nan 0.000 0.411 290 G N -0.420 108.400 108.800 0.034 0.000 2.433 290 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 290 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 290 G C 1.418 176.307 174.900 -0.019 0.000 1.186 290 G CA 1.592 46.721 45.100 0.048 0.000 0.779 290 G HN 0.592 nan 8.290 nan 0.000 0.543 291 T N -1.935 112.625 114.554 0.010 0.000 2.995 291 T HA 0.028 4.378 4.350 0.000 0.000 0.269 291 T C 2.169 176.837 174.700 -0.053 0.000 1.091 291 T CA 1.410 63.512 62.100 0.003 0.000 1.128 291 T CB -0.062 68.831 68.868 0.042 0.000 0.891 291 T HN 0.142 nan 8.240 nan 0.000 0.492 292 M N 0.425 119.950 119.600 -0.125 0.000 2.191 292 M HA 0.047 4.527 4.480 0.000 0.000 0.262 292 M C 2.245 178.372 176.300 -0.288 0.000 1.083 292 M CA 1.376 56.517 55.300 -0.266 0.000 1.154 292 M CB -0.660 31.615 32.600 -0.541 0.000 1.344 292 M HN 0.156 nan 8.290 nan 0.000 0.431 293 Q N 0.643 120.234 119.800 -0.349 0.000 2.124 293 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 293 Q C 1.721 177.602 176.000 -0.197 0.000 0.977 293 Q CA 1.251 56.833 55.803 -0.369 0.000 0.850 293 Q CB -0.413 27.880 28.738 -0.743 0.000 0.901 293 Q HN 0.559 nan 8.270 nan 0.000 0.429 294 E N 0.282 120.408 120.200 -0.123 0.000 2.409 294 E HA -0.105 4.245 4.350 0.000 0.000 0.198 294 E C 1.706 178.280 176.600 -0.043 0.000 1.024 294 E CA 0.389 56.771 56.400 -0.031 0.000 0.861 294 E CB 0.012 29.724 29.700 0.020 0.000 0.788 294 E HN 0.314 nan 8.360 nan 0.000 0.521 295 R N 0.031 120.485 120.500 -0.078 0.000 2.200 295 R HA 0.168 4.508 4.340 0.000 0.000 0.208 295 R C 0.907 177.156 176.300 -0.085 0.000 1.033 295 R CA 0.193 56.249 56.100 -0.073 0.000 1.000 295 R CB 0.261 30.510 30.300 -0.086 0.000 0.906 295 R HN 0.055 nan 8.270 nan 0.000 0.462 296 I N 1.666 122.170 120.570 -0.110 0.000 2.243 296 I HA 0.079 4.249 4.170 0.000 0.000 0.297 296 I C -0.135 175.930 176.117 -0.087 0.000 1.161 296 I CA 0.211 61.441 61.300 -0.116 0.000 1.298 296 I CB 0.735 38.639 38.000 -0.159 0.000 1.475 296 I HN -0.080 nan 8.210 nan 0.000 0.561 297 T N 2.911 117.423 114.554 -0.069 0.000 2.977 297 T HA 0.204 4.554 4.350 0.000 0.000 0.345 297 T C -0.407 174.266 174.700 -0.045 0.000 1.562 297 T CA -0.381 61.689 62.100 -0.051 0.000 1.090 297 T CB 1.530 70.378 68.868 -0.034 0.000 1.383 297 T HN 0.316 nan 8.240 nan 0.000 0.484 298 T N 3.720 118.249 114.554 -0.042 0.000 2.919 298 T HA 0.569 4.919 4.350 0.000 0.000 0.302 298 T C 0.498 175.176 174.700 -0.038 0.000 1.031 298 T CA -0.063 62.015 62.100 -0.036 0.000 1.127 298 T CB 0.613 69.460 68.868 -0.035 0.000 0.952 298 T HN 0.864 nan 8.240 nan 0.000 0.540 299 T N -0.034 114.498 114.554 -0.037 0.000 2.888 299 T HA 0.466 4.816 4.350 0.000 0.000 0.288 299 T C 1.019 175.694 174.700 -0.043 0.000 1.063 299 T CA -1.124 60.950 62.100 -0.043 0.000 1.010 299 T CB 1.438 70.283 68.868 -0.039 0.000 1.214 299 T HN 0.392 nan 8.240 nan 0.000 0.533 300 K N -0.057 120.313 120.400 -0.050 0.000 2.281 300 K HA -0.075 4.245 4.320 0.000 0.000 0.203 300 K C 2.001 178.580 176.600 -0.036 0.000 1.046 300 K CA 1.104 57.364 56.287 -0.045 0.000 0.938 300 K CB -0.083 32.387 32.500 -0.050 0.000 0.737 300 K HN 0.514 nan 8.250 nan 0.000 0.458 301 K N -0.075 120.305 120.400 -0.034 0.000 2.262 301 K HA 0.003 4.323 4.320 0.000 0.000 0.200 301 K C 0.325 176.908 176.600 -0.028 0.000 1.049 301 K CA 0.568 56.836 56.287 -0.032 0.000 0.979 301 K CB 0.556 33.035 32.500 -0.035 0.000 0.773 301 K HN 0.205 nan 8.250 nan 0.000 0.474 302 G N -0.651 108.135 108.800 -0.024 0.000 2.411 302 G HA2 0.162 4.122 3.960 0.000 0.000 0.295 302 G HA3 0.162 4.122 3.960 0.000 0.000 0.295 302 G C -1.776 173.117 174.900 -0.011 0.000 1.542 302 G CA -0.697 44.395 45.100 -0.013 0.000 0.814 302 G HN -0.041 nan 8.290 nan 0.000 0.557 303 S N -0.367 115.332 115.700 -0.002 0.000 2.462 303 S HA 0.750 5.220 4.470 0.000 0.000 0.294 303 S C -0.185 174.413 174.600 -0.003 0.000 1.144 303 S CA -0.689 57.508 58.200 -0.005 0.000 1.088 303 S CB 0.445 63.646 63.200 0.001 0.000 1.009 303 S HN 0.523 nan 8.310 nan 0.000 0.484 304 I N 4.293 124.846 120.570 -0.028 0.000 2.382 304 I HA 0.239 4.409 4.170 0.000 0.000 0.286 304 I C -0.216 175.843 176.117 -0.096 0.000 1.002 304 I CA -0.531 60.736 61.300 -0.054 0.000 1.135 304 I CB 2.038 40.002 38.000 -0.060 0.000 1.288 304 I HN 0.520 nan 8.210 nan 0.000 0.448 305 T N 4.454 118.928 114.554 -0.133 0.000 2.747 305 T HA 0.256 4.606 4.350 0.000 0.000 0.301 305 T C 0.243 174.757 174.700 -0.309 0.000 0.952 305 T CA -0.538 61.448 62.100 -0.190 0.000 0.983 305 T CB 0.324 69.086 68.868 -0.178 0.000 0.930 305 T HN 0.665 nan 8.240 nan 0.000 0.494 306 S N 2.271 117.798 115.700 -0.288 0.000 2.475 306 S HA 0.723 5.193 4.470 0.000 0.000 0.298 306 S C -0.441 173.939 174.600 -0.367 0.000 1.119 306 S CA -0.837 57.155 58.200 -0.347 0.000 1.085 306 S CB 1.377 64.429 63.200 -0.247 0.000 1.028 306 S HN 0.380 nan 8.310 nan 0.000 0.489 307 V N 3.252 122.911 119.914 -0.424 0.000 2.443 307 V HA 0.453 4.573 4.120 0.000 0.000 0.293 307 V C -0.623 175.365 176.094 -0.177 0.000 1.021 307 V CA -0.535 61.600 62.300 -0.275 0.000 0.848 307 V CB 1.234 32.977 31.823 -0.133 0.000 0.998 307 V HN 0.964 nan 8.190 nan 0.000 0.424 308 Q N 3.055 122.750 119.800 -0.174 0.000 2.330 308 Q HA 0.751 5.091 4.340 0.000 0.000 0.269 308 Q C -0.299 175.613 176.000 -0.147 0.000 1.022 308 Q CA -0.560 55.141 55.803 -0.169 0.000 0.796 308 Q CB 2.681 31.296 28.738 -0.205 0.000 1.271 308 Q HN 0.880 nan 8.270 nan 0.000 0.450 309 A N 3.477 126.244 122.820 -0.089 0.000 2.363 309 A HA 0.592 4.912 4.320 0.000 0.000 0.270 309 A C -0.400 177.129 177.584 -0.092 0.000 1.121 309 A CA -0.256 51.748 52.037 -0.056 0.000 0.800 309 A CB 0.161 19.184 19.000 0.039 0.000 1.052 309 A HN 0.760 nan 8.150 nan 0.000 0.493 310 I N 2.735 123.206 120.570 -0.165 0.000 2.493 310 I HA 0.145 4.315 4.170 0.000 0.000 0.279 310 I C -0.767 175.297 176.117 -0.087 0.000 1.045 310 I CA -0.402 60.772 61.300 -0.212 0.000 1.106 310 I CB 1.148 38.715 38.000 -0.723 0.000 1.216 310 I HN 0.748 nan 8.210 nan 0.000 0.459 311 Y N 6.917 127.167 120.300 -0.083 0.000 2.511 311 Y HA 0.291 4.840 4.550 -0.000 0.000 0.332 311 Y C -0.270 175.418 175.900 -0.354 0.000 1.177 311 Y CA 0.141 58.128 58.100 -0.188 0.000 1.422 311 Y CB 0.829 39.174 38.460 -0.191 0.000 1.271 311 Y HN 0.261 nan 8.280 nan 0.000 0.550 312 V N 9.352 128.726 119.914 -0.900 0.000 2.293 312 V HA 0.260 4.380 4.120 0.000 0.000 0.275 312 V C -2.164 173.423 176.094 -0.844 0.000 1.021 312 V CA -2.044 59.881 62.300 -0.626 0.000 0.815 312 V CB 0.869 32.547 31.823 -0.242 0.000 1.025 312 V HN 0.706 nan 8.190 nan 0.000 0.448 313 P HA 0.094 nan 4.420 nan 0.000 0.262 313 P C 0.565 177.790 177.300 -0.125 0.000 1.199 313 P CA 0.881 63.839 63.100 -0.238 0.000 0.763 313 P CB 0.900 32.608 31.700 0.013 0.000 0.790 314 A N 4.158 126.930 122.820 -0.080 0.000 2.860 314 A HA -0.236 4.084 4.320 0.000 0.000 0.267 314 A C 0.908 178.454 177.584 -0.063 0.000 1.421 314 A CA 1.164 53.182 52.037 -0.032 0.000 0.831 314 A CB -2.630 16.377 19.000 0.013 0.000 1.041 314 A HN 0.550 nan 8.150 nan 0.000 0.623 315 D N -1.852 118.468 120.400 -0.134 0.000 3.070 315 D HA -0.195 4.445 4.640 0.000 0.000 0.220 315 D C -0.155 176.108 176.300 -0.062 0.000 1.176 315 D CA 2.178 56.114 54.000 -0.107 0.000 0.924 315 D CB -1.152 39.610 40.800 -0.064 0.000 1.124 315 D HN 0.984 nan 8.370 nan 0.000 0.411 316 D N 0.175 120.546 120.400 -0.048 0.000 2.411 316 D HA 0.228 4.868 4.640 0.000 0.000 0.225 316 D C 1.421 177.735 176.300 0.023 0.000 1.156 316 D CA -0.308 53.690 54.000 -0.003 0.000 0.874 316 D CB 0.183 40.996 40.800 0.021 0.000 1.034 316 D HN 0.114 nan 8.370 nan 0.000 0.502 317 L N 2.532 123.775 121.223 0.034 0.000 2.362 317 L HA -0.088 4.252 4.340 0.000 0.000 0.219 317 L C 2.312 179.257 176.870 0.125 0.000 1.134 317 L CA 1.330 56.226 54.840 0.094 0.000 0.807 317 L CB -0.378 41.731 42.059 0.083 0.000 0.927 317 L HN 0.507 nan 8.230 nan 0.000 0.447 318 T N -4.418 110.180 114.554 0.073 0.000 3.113 318 T HA -0.083 4.267 4.350 0.000 0.000 0.256 318 T C 0.801 175.560 174.700 0.099 0.000 1.131 318 T CA -0.314 61.828 62.100 0.071 0.000 1.074 318 T CB -0.341 68.548 68.868 0.035 0.000 0.944 318 T HN 0.206 nan 8.240 nan 0.000 0.516 319 D N 2.570 123.040 120.400 0.117 0.000 2.488 319 D HA 0.042 4.682 4.640 0.000 0.000 0.238 319 D C -1.434 174.951 176.300 0.142 0.000 1.138 319 D CA -1.549 52.547 54.000 0.160 0.000 0.873 319 D CB 1.538 42.448 40.800 0.184 0.000 1.183 319 D HN 0.006 nan 8.370 nan 0.000 0.458 320 P HA -0.237 nan 4.420 nan 0.000 0.218 320 P C 0.886 178.131 177.300 -0.092 0.000 1.154 320 P CA 2.242 65.319 63.100 -0.039 0.000 0.872 320 P CB 0.109 31.704 31.700 -0.175 0.000 0.790 321 A N -0.319 122.426 122.820 -0.126 0.000 1.845 321 A HA -0.114 4.206 4.320 0.000 0.000 0.215 321 A C 0.030 177.714 177.584 0.166 0.000 1.195 321 A CA 2.285 54.339 52.037 0.028 0.000 0.616 321 A CB -2.235 16.952 19.000 0.312 0.000 0.832 321 A HN 0.233 nan 8.150 nan 0.000 0.443 322 P HA -0.094 nan 4.420 nan 0.000 0.216 322 P C 1.635 179.100 177.300 0.274 0.000 1.153 322 P CA 1.921 65.172 63.100 0.252 0.000 0.844 322 P CB -0.226 31.631 31.700 0.260 0.000 0.787 323 A N 0.153 123.146 122.820 0.288 0.000 1.917 323 A HA -0.188 4.132 4.320 0.000 0.000 0.219 323 A C 2.289 180.071 177.584 0.331 0.000 1.182 323 A CA 2.703 54.952 52.037 0.354 0.000 0.633 323 A CB -2.005 17.106 19.000 0.186 0.000 0.819 323 A HN 0.238 nan 8.150 nan 0.000 0.448 324 T N -0.663 114.016 114.554 0.208 0.000 3.023 324 T HA -0.034 4.316 4.350 0.000 0.000 0.266 324 T C 1.805 176.645 174.700 0.233 0.000 1.093 324 T CA 1.541 63.746 62.100 0.175 0.000 1.129 324 T CB -0.270 68.668 68.868 0.117 0.000 0.899 324 T HN 0.572 nan 8.240 nan 0.000 0.491 325 T N 1.637 116.336 114.554 0.242 0.000 2.904 325 T HA 0.068 4.418 4.350 0.000 0.000 0.267 325 T C 1.502 176.353 174.700 0.253 0.000 1.059 325 T CA 0.617 62.861 62.100 0.239 0.000 1.137 325 T CB -0.471 68.447 68.868 0.084 0.000 0.879 325 T HN 0.344 nan 8.240 nan 0.000 0.467 326 F N 2.031 122.161 119.950 0.300 0.000 2.120 326 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 326 F C 2.621 178.468 175.800 0.079 0.000 1.095 326 F CA 1.051 59.171 58.000 0.201 0.000 1.249 326 F CB -0.466 38.552 39.000 0.029 0.000 0.995 326 F HN 0.146 nan 8.300 nan 0.000 0.480 327 A N -1.650 121.260 122.820 0.149 0.000 2.209 327 A HA -0.117 4.203 4.320 0.000 0.000 0.212 327 A C 1.354 178.833 177.584 -0.174 0.000 1.158 327 A CA 0.914 52.920 52.037 -0.052 0.000 0.742 327 A CB -0.857 18.051 19.000 -0.154 0.000 0.790 327 A HN 0.446 nan 8.150 nan 0.000 0.472 328 H N -0.990 118.136 119.070 0.093 0.000 2.529 328 H HA 0.380 4.936 4.556 -0.000 0.000 0.277 328 H C -0.355 174.989 175.328 0.027 0.000 1.004 328 H CA 0.196 56.269 56.048 0.041 0.000 1.167 328 H CB 0.033 29.801 29.762 0.010 0.000 1.445 328 H HN 0.340 nan 8.280 nan 0.000 0.554 329 L N 0.051 121.355 121.223 0.136 0.000 2.341 329 L HA 0.258 4.598 4.340 0.000 0.000 0.267 329 L C 0.670 177.591 176.870 0.086 0.000 1.009 329 L CA -0.650 54.250 54.840 0.100 0.000 0.819 329 L CB 2.269 44.407 42.059 0.131 0.000 1.323 329 L HN -0.138 nan 8.230 nan 0.000 0.425 330 D N 0.886 121.319 120.400 0.054 0.000 2.324 330 D HA 0.184 4.824 4.640 0.000 0.000 0.212 330 D C 0.275 176.627 176.300 0.087 0.000 0.984 330 D CA 0.602 54.636 54.000 0.057 0.000 0.885 330 D CB 0.980 41.798 40.800 0.031 0.000 0.996 330 D HN 0.501 nan 8.370 nan 0.000 0.505 331 A N 0.769 123.642 122.820 0.088 0.000 2.398 331 A HA 0.550 4.870 4.320 0.000 0.000 0.301 331 A C -0.339 177.351 177.584 0.176 0.000 1.041 331 A CA -0.609 51.525 52.037 0.161 0.000 0.711 331 A CB 1.453 20.611 19.000 0.264 0.000 1.240 331 A HN -0.018 nan 8.150 nan 0.000 0.420 332 T N -0.517 114.185 114.554 0.246 0.000 2.797 332 T HA 0.690 5.040 4.350 0.000 0.000 0.279 332 T C -0.396 174.496 174.700 0.321 0.000 0.991 332 T CA -0.453 61.840 62.100 0.321 0.000 0.979 332 T CB 1.252 70.363 68.868 0.405 0.000 0.943 332 T HN 0.445 nan 8.240 nan 0.000 0.444 333 T N 3.383 118.145 114.554 0.347 0.000 2.821 333 T HA 0.463 4.813 4.350 0.000 0.000 0.307 333 T C -0.224 174.667 174.700 0.318 0.000 1.034 333 T CA -0.546 61.740 62.100 0.309 0.000 0.953 333 T CB 0.768 69.838 68.868 0.338 0.000 0.968 333 T HN 0.634 nan 8.240 nan 0.000 0.462 334 V N 5.880 125.943 119.914 0.248 0.000 2.333 334 V HA 0.367 4.487 4.120 0.000 0.000 0.274 334 V C 0.139 176.321 176.094 0.146 0.000 1.028 334 V CA -0.751 61.681 62.300 0.219 0.000 0.851 334 V CB 0.694 32.585 31.823 0.113 0.000 1.000 334 V HN 0.747 nan 8.190 nan 0.000 0.456 335 L N 4.032 125.345 121.223 0.149 0.000 2.350 335 L HA 0.559 4.899 4.340 0.000 0.000 0.275 335 L C 0.466 177.365 176.870 0.049 0.000 1.099 335 L CA 0.176 55.070 54.840 0.091 0.000 0.808 335 L CB 1.597 43.717 42.059 0.102 0.000 1.149 335 L HN 0.651 nan 8.230 nan 0.000 0.442 336 S N 2.117 117.823 115.700 0.011 0.000 2.519 336 S HA 0.323 4.793 4.470 0.000 0.000 0.309 336 S C 0.764 175.342 174.600 -0.036 0.000 1.100 336 S CA -0.781 57.412 58.200 -0.013 0.000 1.059 336 S CB 1.596 64.784 63.200 -0.020 0.000 1.008 336 S HN 0.731 nan 8.310 nan 0.000 0.478 337 R N 3.644 124.126 120.500 -0.029 0.000 2.083 337 R HA -0.104 4.236 4.340 0.000 0.000 0.237 337 R C 2.143 178.414 176.300 -0.047 0.000 1.137 337 R CA 1.987 58.068 56.100 -0.032 0.000 0.951 337 R CB -0.776 29.512 30.300 -0.020 0.000 0.851 337 R HN 0.803 nan 8.270 nan 0.000 0.434 338 A N 0.850 123.644 122.820 -0.043 0.000 1.940 338 A HA -0.164 4.156 4.320 0.000 0.000 0.219 338 A C 2.127 179.673 177.584 -0.064 0.000 1.176 338 A CA 1.570 53.580 52.037 -0.046 0.000 0.631 338 A CB -0.461 18.515 19.000 -0.040 0.000 0.814 338 A HN 0.408 nan 8.150 nan 0.000 0.446 339 I N -0.827 119.695 120.570 -0.081 0.000 2.333 339 I HA -0.157 4.014 4.170 0.000 0.000 0.246 339 I C 2.947 178.936 176.117 -0.212 0.000 1.106 339 I CA 0.784 62.020 61.300 -0.108 0.000 1.411 339 I CB -0.380 37.569 38.000 -0.085 0.000 1.082 339 I HN 0.340 nan 8.210 nan 0.000 0.420 340 A N 0.701 123.359 122.820 -0.271 0.000 1.908 340 A HA -0.235 4.085 4.320 0.000 0.000 0.218 340 A C 2.143 179.552 177.584 -0.291 0.000 1.181 340 A CA 1.741 53.481 52.037 -0.495 0.000 0.627 340 A CB -0.577 18.272 19.000 -0.251 0.000 0.818 340 A HN 0.452 nan 8.150 nan 0.000 0.445 341 E N -0.546 119.581 120.200 -0.122 0.000 2.347 341 E HA 0.018 4.368 4.350 0.000 0.000 0.196 341 E C 1.222 177.798 176.600 -0.039 0.000 1.008 341 E CA 0.302 56.678 56.400 -0.041 0.000 0.852 341 E CB -0.133 29.555 29.700 -0.020 0.000 0.783 341 E HN 0.622 nan 8.360 nan 0.000 0.505 342 L N -0.322 120.858 121.223 -0.072 0.000 2.591 342 L HA 0.133 4.473 4.340 0.000 0.000 0.228 342 L C 1.364 178.198 176.870 -0.059 0.000 1.133 342 L CA 0.315 55.120 54.840 -0.057 0.000 0.880 342 L CB 0.060 42.090 42.059 -0.049 0.000 1.033 342 L HN 0.245 nan 8.230 nan 0.000 0.450 343 G N 0.275 109.047 108.800 -0.047 0.000 2.159 343 G HA2 -0.248 3.713 3.960 0.000 0.000 0.256 343 G HA3 -0.248 3.713 3.960 0.000 0.000 0.256 343 G C 0.295 175.288 174.900 0.155 0.000 0.977 343 G CA -0.386 44.773 45.100 0.098 0.000 0.652 343 G HN 0.168 nan 8.290 nan 0.000 0.531 344 I N 1.150 121.677 120.570 -0.072 0.000 2.363 344 I HA 0.413 4.583 4.170 0.000 0.000 0.292 344 I C 0.002 175.941 176.117 -0.298 0.000 1.075 344 I CA -0.401 60.890 61.300 -0.014 0.000 1.333 344 I CB -0.518 37.476 38.000 -0.009 0.000 1.415 344 I HN 0.108 nan 8.210 nan 0.000 0.502 345 Y N 7.219 127.522 120.300 0.006 0.000 2.462 345 Y HA 0.389 4.939 4.550 -0.000 0.000 0.346 345 Y C -2.017 173.710 175.900 -0.289 0.000 0.976 345 Y CA -2.339 55.673 58.100 -0.146 0.000 1.044 345 Y CB 2.231 40.584 38.460 -0.179 0.000 1.230 345 Y HN 0.420 nan 8.280 nan 0.000 0.455 346 P HA 0.027 nan 4.420 nan 0.000 0.268 346 P C -0.435 176.850 177.300 -0.025 0.000 1.205 346 P CA -0.020 63.023 63.100 -0.095 0.000 0.771 346 P CB 1.018 32.712 31.700 -0.009 0.000 0.858 347 A N 3.769 126.571 122.820 -0.030 0.000 2.916 347 A HA 0.216 4.536 4.320 0.000 0.000 0.254 347 A C 0.504 178.075 177.584 -0.021 0.000 1.544 347 A CA -0.329 51.639 52.037 -0.115 0.000 1.224 347 A CB -1.117 17.765 19.000 -0.196 0.000 1.012 347 A HN 0.375 nan 8.150 nan 0.000 0.636 348 V N 1.201 121.126 119.914 0.017 0.000 2.555 348 V HA 0.036 4.156 4.120 0.000 0.000 0.286 348 V C 0.437 176.546 176.094 0.026 0.000 1.044 348 V CA -0.482 61.847 62.300 0.049 0.000 1.026 348 V CB 1.067 32.932 31.823 0.071 0.000 0.981 348 V HN 0.583 nan 8.190 nan 0.000 0.480 349 D N 7.751 128.170 120.400 0.032 0.000 2.338 349 D HA 0.158 4.798 4.640 0.000 0.000 0.255 349 D C -1.495 174.813 176.300 0.013 0.000 1.237 349 D CA -1.825 52.183 54.000 0.014 0.000 0.883 349 D CB 1.863 42.669 40.800 0.009 0.000 1.087 349 D HN 0.285 nan 8.370 nan 0.000 0.485 350 P HA 0.018 nan 4.420 nan 0.000 0.241 350 P C 1.061 178.348 177.300 -0.022 0.000 1.191 350 P CA 0.466 63.557 63.100 -0.015 0.000 0.771 350 P CB 0.337 32.022 31.700 -0.026 0.000 0.929 351 L N -1.411 119.801 121.223 -0.019 0.000 2.693 351 L HA 0.279 4.619 4.340 0.000 0.000 0.235 351 L C 1.235 178.084 176.870 -0.035 0.000 1.127 351 L CA 0.365 55.187 54.840 -0.029 0.000 0.914 351 L CB 0.009 42.048 42.059 -0.032 0.000 1.193 351 L HN -0.168 nan 8.230 nan 0.000 0.502 352 D N -0.972 119.415 120.400 -0.022 0.000 2.500 352 D HA 0.103 4.743 4.640 0.000 0.000 0.217 352 D C 0.170 176.475 176.300 0.009 0.000 1.159 352 D CA 0.271 54.251 54.000 -0.033 0.000 0.828 352 D CB 0.796 41.575 40.800 -0.035 0.000 1.039 352 D HN -0.070 nan 8.370 nan 0.000 0.512 353 S N -0.070 115.652 115.700 0.036 0.000 2.462 353 S HA 0.626 5.096 4.470 0.000 0.000 0.294 353 S C 0.089 174.728 174.600 0.066 0.000 1.144 353 S CA -0.617 57.633 58.200 0.085 0.000 1.088 353 S CB 1.695 64.955 63.200 0.100 0.000 1.009 353 S HN 0.265 nan 8.310 nan 0.000 0.484 354 T N -0.778 113.833 114.554 0.096 0.000 2.883 354 T HA 0.801 5.151 4.350 0.000 0.000 0.296 354 T C -0.707 174.059 174.700 0.110 0.000 1.117 354 T CA -0.836 61.309 62.100 0.075 0.000 1.006 354 T CB 1.884 70.779 68.868 0.045 0.000 1.191 354 T HN 0.433 nan 8.240 nan 0.000 0.508 355 S N -0.788 114.965 115.700 0.088 0.000 2.540 355 S HA 0.431 4.901 4.470 0.000 0.000 0.275 355 S C 0.571 175.215 174.600 0.073 0.000 1.123 355 S CA -0.864 57.397 58.200 0.101 0.000 0.907 355 S CB 1.686 64.953 63.200 0.111 0.000 1.081 355 S HN 0.770 nan 8.310 nan 0.000 0.476 356 R N 2.062 122.604 120.500 0.070 0.000 2.280 356 R HA 0.109 4.449 4.340 0.000 0.000 0.207 356 R C 1.469 177.792 176.300 0.039 0.000 1.043 356 R CA 1.427 57.557 56.100 0.050 0.000 1.006 356 R CB -0.438 29.889 30.300 0.046 0.000 0.885 356 R HN 0.788 nan 8.270 nan 0.000 0.467 357 I N -2.984 117.612 120.570 0.044 0.000 3.928 357 I HA 0.223 4.393 4.170 0.000 0.000 0.335 357 I C 0.400 176.524 176.117 0.012 0.000 1.325 357 I CA -0.449 60.867 61.300 0.027 0.000 1.107 357 I CB 0.270 38.291 38.000 0.036 0.000 1.014 357 I HN -0.110 nan 8.210 nan 0.000 0.400 358 M N 3.412 123.029 119.600 0.028 0.000 2.685 358 M HA 0.296 4.776 4.480 0.000 0.000 0.316 358 M C -0.975 175.396 176.300 0.118 0.000 1.523 358 M CA 0.050 55.378 55.300 0.046 0.000 1.472 358 M CB -1.200 31.429 32.600 0.048 0.000 1.525 358 M HN 0.359 nan 8.290 nan 0.000 0.471 359 D N 5.860 126.290 120.400 0.051 0.000 2.871 359 D HA 0.283 4.923 4.640 0.000 0.000 0.209 359 D C -2.589 173.591 176.300 -0.199 0.000 1.292 359 D CA -1.073 52.858 54.000 -0.116 0.000 0.869 359 D CB 1.981 42.736 40.800 -0.075 0.000 1.663 359 D HN 0.207 nan 8.370 nan 0.000 0.557 360 P HA -0.107 nan 4.420 nan 0.000 0.218 360 P C 0.787 178.009 177.300 -0.131 0.000 1.148 360 P CA 0.755 63.680 63.100 -0.292 0.000 0.822 360 P CB 0.448 31.882 31.700 -0.444 0.000 0.784 361 N N -0.492 118.129 118.700 -0.132 0.000 2.459 361 N HA -0.002 4.738 4.740 0.000 0.000 0.181 361 N C 1.828 177.315 175.510 -0.038 0.000 1.046 361 N CA 0.789 53.797 53.050 -0.071 0.000 0.904 361 N CB -0.160 38.286 38.487 -0.068 0.000 0.964 361 N HN 0.329 nan 8.380 nan 0.000 0.444 362 I N -0.336 120.211 120.570 -0.039 0.000 2.899 362 I HA -0.063 4.107 4.170 0.000 0.000 0.257 362 I C 1.860 177.984 176.117 0.012 0.000 1.115 362 I CA 0.363 61.657 61.300 -0.011 0.000 1.451 362 I CB 0.084 38.077 38.000 -0.010 0.000 1.251 362 I HN -0.109 nan 8.210 nan 0.000 0.456 363 V N -1.118 118.796 119.914 -0.001 0.000 3.608 363 V HA 0.543 4.663 4.120 0.000 0.000 0.269 363 V C 0.824 176.984 176.094 0.110 0.000 1.245 363 V CA 0.206 62.532 62.300 0.044 0.000 1.138 363 V CB -0.976 30.754 31.823 -0.155 0.000 0.841 363 V HN 0.491 nan 8.190 nan 0.000 0.451 364 G N 0.907 109.746 108.800 0.065 0.000 2.692 364 G HA2 -0.117 3.843 3.960 0.000 0.000 0.686 364 G HA3 -0.117 3.843 3.960 0.000 0.000 0.686 364 G C 0.398 175.364 174.900 0.111 0.000 1.243 364 G CA 0.229 45.379 45.100 0.082 0.000 0.782 364 G HN 1.251 nan 8.290 nan 0.000 0.625 365 S N -0.266 115.488 115.700 0.091 0.000 2.382 365 S HA -0.095 4.375 4.470 0.000 0.000 0.228 365 S C 1.755 176.465 174.600 0.184 0.000 1.027 365 S CA 1.858 60.134 58.200 0.127 0.000 0.991 365 S CB -0.155 63.092 63.200 0.079 0.000 0.823 365 S HN 0.882 nan 8.310 nan 0.000 0.469 366 E N 1.063 121.354 120.200 0.153 0.000 2.031 366 E HA -0.264 4.086 4.350 0.000 0.000 0.193 366 E C 2.106 178.829 176.600 0.203 0.000 0.994 366 E CA 1.269 57.758 56.400 0.149 0.000 0.800 366 E CB -0.384 29.385 29.700 0.115 0.000 0.752 366 E HN 0.841 nan 8.360 nan 0.000 0.447 367 H N -1.347 117.783 119.070 0.099 0.000 2.319 367 H HA -0.240 4.317 4.556 0.000 0.000 0.297 367 H C 2.200 177.585 175.328 0.095 0.000 1.097 367 H CA 1.769 57.872 56.048 0.091 0.000 1.285 367 H CB -0.146 29.669 29.762 0.089 0.000 1.368 367 H HN 0.280 nan 8.280 nan 0.000 0.495 368 Y N 1.523 121.873 120.300 0.084 0.000 2.181 368 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 368 Y C 1.967 177.885 175.900 0.029 0.000 1.146 368 Y CA 1.912 60.001 58.100 -0.017 0.000 1.164 368 Y CB -0.239 38.198 38.460 -0.038 0.000 0.982 368 Y HN 0.319 nan 8.280 nan 0.000 0.515 369 D N -0.621 119.830 120.400 0.086 0.000 2.123 369 D HA -0.154 4.486 4.640 0.000 0.000 0.200 369 D C 2.426 178.709 176.300 -0.029 0.000 0.976 369 D CA 1.576 55.580 54.000 0.006 0.000 0.831 369 D CB -0.462 40.398 40.800 0.100 0.000 0.974 369 D HN 0.310 nan 8.370 nan 0.000 0.469 370 V N 1.662 121.600 119.914 0.039 0.000 2.287 370 V HA -0.258 3.862 4.120 0.000 0.000 0.248 370 V C 2.562 178.648 176.094 -0.013 0.000 1.053 370 V CA 1.866 64.195 62.300 0.049 0.000 1.027 370 V CB -0.897 30.993 31.823 0.111 0.000 0.646 370 V HN 0.173 nan 8.190 nan 0.000 0.447 371 A N 0.117 122.916 122.820 -0.035 0.000 1.865 371 A HA -0.229 4.091 4.320 0.000 0.000 0.217 371 A C 2.313 179.792 177.584 -0.175 0.000 1.191 371 A CA 1.815 53.789 52.037 -0.106 0.000 0.623 371 A CB -0.524 18.422 19.000 -0.089 0.000 0.826 371 A HN 0.399 nan 8.150 nan 0.000 0.444 372 R N -0.444 119.890 120.500 -0.278 0.000 2.120 372 R HA -0.088 4.252 4.340 0.000 0.000 0.234 372 R C 2.251 178.471 176.300 -0.133 0.000 1.123 372 R CA 1.206 57.153 56.100 -0.255 0.000 0.975 372 R CB -1.627 28.446 30.300 -0.378 0.000 0.866 372 R HN 0.559 nan 8.270 nan 0.000 0.446 373 G N -0.130 108.613 108.800 -0.095 0.000 2.403 373 G HA2 -0.132 3.828 3.960 0.000 0.000 0.216 373 G HA3 -0.132 3.828 3.960 0.000 0.000 0.216 373 G C 1.546 176.430 174.900 -0.027 0.000 1.154 373 G CA 0.413 45.488 45.100 -0.040 0.000 0.784 373 G HN 0.160 nan 8.290 nan 0.000 0.538 374 V N 0.575 120.465 119.914 -0.041 0.000 2.343 374 V HA -0.234 3.886 4.120 0.000 0.000 0.247 374 V C 2.892 178.958 176.094 -0.046 0.000 1.051 374 V CA 2.182 64.456 62.300 -0.042 0.000 1.036 374 V CB -0.482 31.260 31.823 -0.135 0.000 0.654 374 V HN 0.423 nan 8.190 nan 0.000 0.451 375 Q N -0.464 119.295 119.800 -0.069 0.000 2.172 375 Q HA -0.208 4.133 4.340 0.000 0.000 0.200 375 Q C 2.322 178.304 176.000 -0.030 0.000 0.964 375 Q CA 1.412 57.182 55.803 -0.054 0.000 0.855 375 Q CB -0.169 28.524 28.738 -0.074 0.000 0.918 375 Q HN 0.584 nan 8.270 nan 0.000 0.444 376 K N 1.134 121.516 120.400 -0.031 0.000 2.026 376 K HA -0.162 4.158 4.320 0.000 0.000 0.208 376 K C 1.969 178.574 176.600 0.008 0.000 1.048 376 K CA 1.119 57.398 56.287 -0.014 0.000 0.929 376 K CB -0.131 32.358 32.500 -0.017 0.000 0.713 376 K HN 0.168 nan 8.250 nan 0.000 0.439 377 I N 0.993 121.571 120.570 0.013 0.000 2.315 377 I HA -0.263 3.907 4.170 0.000 0.000 0.248 377 I C 1.900 178.061 176.117 0.073 0.000 1.117 377 I CA 0.955 62.273 61.300 0.031 0.000 1.404 377 I CB 0.075 38.083 38.000 0.014 0.000 1.071 377 I HN 0.240 nan 8.210 nan 0.000 0.419 378 L N 0.015 121.278 121.223 0.068 0.000 2.046 378 L HA -0.258 4.082 4.340 0.000 0.000 0.208 378 L C 2.596 179.522 176.870 0.093 0.000 1.077 378 L CA 1.288 56.197 54.840 0.114 0.000 0.747 378 L CB -0.704 41.395 42.059 0.065 0.000 0.896 378 L HN 0.316 nan 8.230 nan 0.000 0.432 379 Q N 0.346 120.169 119.800 0.039 0.000 2.046 379 Q HA -0.208 4.132 4.340 0.000 0.000 0.200 379 Q C 1.759 177.774 176.000 0.025 0.000 0.975 379 Q CA 1.808 57.618 55.803 0.013 0.000 0.836 379 Q CB -0.152 28.583 28.738 -0.005 0.000 0.896 379 Q HN 0.361 nan 8.270 nan 0.000 0.428 380 D N -1.010 119.418 120.400 0.047 0.000 2.144 380 D HA -0.167 4.473 4.640 0.000 0.000 0.199 380 D C 1.553 177.915 176.300 0.104 0.000 0.984 380 D CA 1.050 55.084 54.000 0.055 0.000 0.834 380 D CB -0.405 40.424 40.800 0.050 0.000 0.955 380 D HN 0.326 nan 8.370 nan 0.000 0.465 381 Y N 1.901 122.192 120.300 -0.014 0.000 2.145 381 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 381 Y C 2.221 178.112 175.900 -0.014 0.000 1.145 381 Y CA 1.620 59.712 58.100 -0.013 0.000 1.148 381 Y CB -0.388 38.065 38.460 -0.012 0.000 0.981 381 Y HN -0.171 nan 8.280 nan 0.000 0.507 382 K N -0.379 119.925 120.400 -0.160 0.000 2.063 382 K HA -0.160 4.160 4.320 0.000 0.000 0.208 382 K C 2.107 178.610 176.600 -0.163 0.000 1.048 382 K CA 1.812 57.952 56.287 -0.246 0.000 0.928 382 K CB -0.248 32.173 32.500 -0.131 0.000 0.713 382 K HN 0.309 nan 8.250 nan 0.000 0.442 383 S N 0.680 116.332 115.700 -0.080 0.000 2.447 383 S HA -0.037 4.433 4.470 0.000 0.000 0.233 383 S C 1.529 176.101 174.600 -0.046 0.000 1.006 383 S CA 0.735 58.903 58.200 -0.052 0.000 0.957 383 S CB -0.024 63.161 63.200 -0.023 0.000 0.773 383 S HN 0.269 nan 8.310 nan 0.000 0.507 384 L N 0.879 122.077 121.223 -0.043 0.000 2.558 384 L HA 0.119 4.459 4.340 0.000 0.000 0.225 384 L C 2.235 179.077 176.870 -0.047 0.000 1.128 384 L CA 0.356 55.189 54.840 -0.013 0.000 0.868 384 L CB -0.206 41.889 42.059 0.060 0.000 1.006 384 L HN 0.288 nan 8.230 nan 0.000 0.454 385 Q N -0.388 119.338 119.800 -0.124 0.000 2.311 385 Q HA -0.149 4.191 4.340 0.000 0.000 0.203 385 Q C 1.223 177.174 176.000 -0.082 0.000 0.954 385 Q CA 0.828 56.543 55.803 -0.146 0.000 0.885 385 Q CB 0.168 28.748 28.738 -0.263 0.000 0.963 385 Q HN 0.386 nan 8.270 nan 0.000 0.471 386 D N 0.794 121.156 120.400 -0.065 0.000 2.117 386 D HA -0.106 4.534 4.640 0.000 0.000 0.198 386 D C 1.805 178.089 176.300 -0.027 0.000 0.982 386 D CA 0.916 54.891 54.000 -0.043 0.000 0.828 386 D CB 0.003 40.781 40.800 -0.037 0.000 0.967 386 D HN 0.257 nan 8.370 nan 0.000 0.464 387 I N 0.129 120.686 120.570 -0.021 0.000 2.179 387 I HA -0.203 3.967 4.170 0.000 0.000 0.242 387 I C 2.357 178.472 176.117 -0.003 0.000 1.088 387 I CA 0.812 62.107 61.300 -0.008 0.000 1.357 387 I CB -0.443 37.557 38.000 -0.001 0.000 1.051 387 I HN -0.075 nan 8.210 nan 0.000 0.409 388 I N 1.537 122.107 120.570 -0.000 0.000 2.208 388 I HA -0.307 3.863 4.170 0.000 0.000 0.245 388 I C 2.943 179.062 176.117 0.003 0.000 1.097 388 I CA 1.467 62.774 61.300 0.012 0.000 1.363 388 I CB -0.488 37.529 38.000 0.029 0.000 1.051 388 I HN 0.233 nan 8.210 nan 0.000 0.413 389 A N 1.025 123.839 122.820 -0.011 0.000 1.873 389 A HA -0.209 4.111 4.320 0.000 0.000 0.218 389 A C 2.271 179.851 177.584 -0.007 0.000 1.193 389 A CA 1.740 53.769 52.037 -0.013 0.000 0.629 389 A CB -0.620 18.366 19.000 -0.023 0.000 0.826 389 A HN 0.321 nan 8.150 nan 0.000 0.447 390 I N -0.917 119.649 120.570 -0.007 0.000 2.235 390 I HA -0.071 4.099 4.170 0.000 0.000 0.241 390 I C 2.240 178.357 176.117 -0.000 0.000 1.085 390 I CA 1.273 62.570 61.300 -0.004 0.000 1.378 390 I CB -1.035 36.961 38.000 -0.005 0.000 1.076 390 I HN 0.265 nan 8.210 nan 0.000 0.415 391 L N -0.505 120.719 121.223 0.002 0.000 2.590 391 L HA 0.310 4.650 4.340 0.000 0.000 0.227 391 L C 1.106 177.982 176.870 0.008 0.000 1.099 391 L CA 0.318 55.161 54.840 0.005 0.000 0.872 391 L CB -0.089 41.972 42.059 0.004 0.000 1.088 391 L HN 0.425 nan 8.230 nan 0.000 0.479 392 G N -0.111 108.696 108.800 0.011 0.000 2.741 392 G HA2 -0.285 3.675 3.960 0.000 0.000 0.222 392 G HA3 -0.285 3.675 3.960 0.000 0.000 0.222 392 G C 0.459 175.372 174.900 0.022 0.000 1.364 392 G CA -0.127 44.983 45.100 0.017 0.000 0.866 392 G HN -0.128 nan 8.290 nan 0.000 0.555 393 M N -0.076 119.540 119.600 0.025 0.000 2.108 393 M HA -0.058 4.422 4.480 0.000 0.000 0.261 393 M C 2.004 178.316 176.300 0.020 0.000 1.066 393 M CA 2.338 57.654 55.300 0.027 0.000 1.107 393 M CB -1.210 31.404 32.600 0.024 0.000 1.356 393 M HN 0.604 nan 8.290 nan 0.000 0.406 394 D N 0.235 120.644 120.400 0.015 0.000 2.310 394 D HA -0.109 4.532 4.640 0.000 0.000 0.212 394 D C 1.564 177.871 176.300 0.011 0.000 0.965 394 D CA 0.775 54.782 54.000 0.012 0.000 0.879 394 D CB -0.088 40.718 40.800 0.010 0.000 0.921 394 D HN 0.331 nan 8.370 nan 0.000 0.510 395 E N -0.016 120.191 120.200 0.012 0.000 2.479 395 E HA 0.116 4.466 4.350 0.000 0.000 0.193 395 E C 0.667 177.274 176.600 0.012 0.000 1.049 395 E CA -0.099 56.307 56.400 0.010 0.000 0.870 395 E CB 0.446 30.151 29.700 0.009 0.000 0.944 395 E HN 0.345 nan 8.360 nan 0.000 0.492 396 L N 1.355 122.587 121.223 0.015 0.000 2.399 396 L HA 0.160 4.500 4.340 0.000 0.000 0.266 396 L C 0.955 177.833 176.870 0.013 0.000 1.114 396 L CA -0.588 54.263 54.840 0.017 0.000 0.804 396 L CB 1.011 43.085 42.059 0.025 0.000 1.146 396 L HN -0.067 nan 8.230 nan 0.000 0.451 397 S N 0.122 115.830 115.700 0.012 0.000 2.584 397 S HA 0.008 4.478 4.470 0.000 0.000 0.270 397 S C 0.827 175.433 174.600 0.010 0.000 1.346 397 S CA -0.428 57.778 58.200 0.010 0.000 1.018 397 S CB 1.251 64.456 63.200 0.009 0.000 0.899 397 S HN 0.685 nan 8.310 nan 0.000 0.542 398 E N 0.717 120.921 120.200 0.007 0.000 2.153 398 E HA -0.174 4.176 4.350 0.000 0.000 0.194 398 E C 1.887 178.490 176.600 0.005 0.000 0.988 398 E CA 1.783 58.187 56.400 0.006 0.000 0.811 398 E CB -0.237 29.466 29.700 0.005 0.000 0.746 398 E HN 0.878 nan 8.360 nan 0.000 0.466 399 E N -0.248 119.955 120.200 0.005 0.000 2.106 399 E HA -0.203 4.147 4.350 0.000 0.000 0.192 399 E C 1.205 177.809 176.600 0.007 0.000 0.984 399 E CA 1.360 57.763 56.400 0.005 0.000 0.806 399 E CB 0.018 29.721 29.700 0.005 0.000 0.750 399 E HN 0.244 nan 8.360 nan 0.000 0.458 400 D N 0.360 120.767 120.400 0.012 0.000 2.149 400 D HA -0.097 4.543 4.640 0.000 0.000 0.201 400 D C 1.714 178.025 176.300 0.018 0.000 0.972 400 D CA 0.854 54.867 54.000 0.021 0.000 0.835 400 D CB 0.019 40.835 40.800 0.027 0.000 0.966 400 D HN 0.157 nan 8.370 nan 0.000 0.476 401 K N 0.151 120.557 120.400 0.011 0.000 2.147 401 K HA -0.124 4.196 4.320 0.000 0.000 0.205 401 K C 1.971 178.561 176.600 -0.017 0.000 1.049 401 K CA 0.388 56.676 56.287 0.002 0.000 0.936 401 K CB -0.038 32.464 32.500 0.004 0.000 0.722 401 K HN 0.040 nan 8.250 nan 0.000 0.446 402 L N 1.246 122.460 121.223 -0.014 0.000 2.056 402 L HA -0.150 4.190 4.340 0.000 0.000 0.207 402 L C 2.422 179.267 176.870 -0.042 0.000 1.078 402 L CA 2.064 56.890 54.840 -0.024 0.000 0.749 402 L CB -0.917 41.134 42.059 -0.013 0.000 0.901 402 L HN 0.303 nan 8.230 nan 0.000 0.433 403 T N -4.305 110.232 114.554 -0.029 0.000 2.821 403 T HA -0.130 4.220 4.350 0.000 0.000 0.267 403 T C 1.895 176.536 174.700 -0.099 0.000 1.046 403 T CA 1.396 63.474 62.100 -0.036 0.000 1.139 403 T CB -1.057 67.815 68.868 0.007 0.000 0.871 403 T HN 0.115 nan 8.240 nan 0.000 0.454 404 V N 2.792 122.649 119.914 -0.094 0.000 2.255 404 V HA -0.193 3.927 4.120 0.000 0.000 0.247 404 V C 3.265 179.163 176.094 -0.326 0.000 1.051 404 V CA 2.266 64.425 62.300 -0.235 0.000 1.018 404 V CB -1.163 30.630 31.823 -0.049 0.000 0.641 404 V HN 0.803 nan 8.190 nan 0.000 0.445 405 S N 0.291 115.886 115.700 -0.175 0.000 2.368 405 S HA -0.245 4.225 4.470 0.000 0.000 0.225 405 S C 2.110 176.596 174.600 -0.189 0.000 1.030 405 S CA 1.568 59.676 58.200 -0.154 0.000 0.999 405 S CB -0.491 62.661 63.200 -0.080 0.000 0.844 405 S HN 0.548 nan 8.310 nan 0.000 0.459 406 R N 1.195 121.594 120.500 -0.167 0.000 2.075 406 R HA 0.107 4.447 4.340 0.000 0.000 0.232 406 R C 2.835 179.019 176.300 -0.194 0.000 1.126 406 R CA 1.247 57.246 56.100 -0.168 0.000 0.963 406 R CB -0.830 29.408 30.300 -0.103 0.000 0.858 406 R HN 0.587 nan 8.270 nan 0.000 0.435 407 A N 1.194 123.873 122.820 -0.235 0.000 1.908 407 A HA -0.197 4.123 4.320 0.000 0.000 0.218 407 A C 2.062 179.467 177.584 -0.297 0.000 1.181 407 A CA 1.380 53.262 52.037 -0.259 0.000 0.627 407 A CB -0.374 18.394 19.000 -0.386 0.000 0.818 407 A HN 0.240 nan 8.150 nan 0.000 0.445 408 R N -0.526 119.725 120.500 -0.416 0.000 2.115 408 R HA -0.042 4.298 4.340 0.000 0.000 0.226 408 R C 2.099 178.311 176.300 -0.146 0.000 1.100 408 R CA 1.411 57.354 56.100 -0.261 0.000 0.980 408 R CB -0.177 29.972 30.300 -0.252 0.000 0.875 408 R HN 0.507 nan 8.270 nan 0.000 0.445 409 K N 0.352 120.612 120.400 -0.232 0.000 2.103 409 K HA -0.041 4.279 4.320 0.000 0.000 0.204 409 K C 1.968 178.405 176.600 -0.270 0.000 1.052 409 K CA 1.017 57.062 56.287 -0.403 0.000 0.945 409 K CB -0.009 32.021 32.500 -0.784 0.000 0.722 409 K HN 0.086 nan 8.250 nan 0.000 0.443 410 I N 1.521 122.028 120.570 -0.104 0.000 2.179 410 I HA -0.307 3.863 4.170 0.000 0.000 0.242 410 I C 2.428 178.703 176.117 0.263 0.000 1.088 410 I CA 1.385 62.792 61.300 0.179 0.000 1.357 410 I CB -0.160 37.950 38.000 0.184 0.000 1.051 410 I HN 0.187 nan 8.210 nan 0.000 0.409 411 Q N 0.116 119.995 119.800 0.132 0.000 2.152 411 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 411 Q C 2.366 178.476 176.000 0.182 0.000 0.985 411 Q CA 1.654 57.541 55.803 0.141 0.000 0.863 411 Q CB -0.147 28.658 28.738 0.111 0.000 0.904 411 Q HN 0.446 nan 8.270 nan 0.000 0.422 412 R N -0.813 119.804 120.500 0.195 0.000 2.093 412 R HA -0.057 4.283 4.340 0.000 0.000 0.224 412 R C 1.788 178.295 176.300 0.345 0.000 1.101 412 R CA 0.731 57.003 56.100 0.287 0.000 0.979 412 R CB -0.092 30.386 30.300 0.296 0.000 0.877 412 R HN 0.150 nan 8.270 nan 0.000 0.441 413 F N 0.752 120.797 119.950 0.159 0.000 2.604 413 F HA 0.048 4.576 4.527 0.000 0.000 0.298 413 F C 1.294 177.252 175.800 0.264 0.000 1.131 413 F CA 0.784 58.846 58.000 0.103 0.000 1.457 413 F CB 0.149 39.045 39.000 -0.174 0.000 1.095 413 F HN -0.071 nan 8.300 nan 0.000 0.574 414 L N -0.522 120.902 121.223 0.334 0.000 2.395 414 L HA -0.002 4.338 4.340 0.000 0.000 0.218 414 L C 1.468 178.382 176.870 0.072 0.000 1.130 414 L CA 0.288 55.264 54.840 0.226 0.000 0.826 414 L CB -0.727 41.429 42.059 0.162 0.000 0.941 414 L HN 0.090 nan 8.230 nan 0.000 0.451 415 S N -0.402 115.336 115.700 0.064 0.000 2.614 415 S HA 0.380 4.850 4.470 0.000 0.000 0.265 415 S C -0.315 174.230 174.600 -0.093 0.000 1.303 415 S CA -0.487 57.709 58.200 -0.006 0.000 1.000 415 S CB 1.841 65.064 63.200 0.039 0.000 0.935 415 S HN 0.265 nan 8.310 nan 0.000 0.551 416 Q N 0.309 120.034 119.800 -0.125 0.000 2.468 416 Q HA 0.368 4.708 4.340 0.000 0.000 0.263 416 Q C -3.152 172.810 176.000 -0.064 0.000 0.979 416 Q CA -1.657 54.103 55.803 -0.070 0.000 0.932 416 Q CB 2.256 31.047 28.738 0.087 0.000 1.462 416 Q HN 0.537 nan 8.270 nan 0.000 0.403 417 P HA 0.190 nan 4.420 nan 0.000 0.282 417 P C -1.041 176.432 177.300 0.289 0.000 1.274 417 P CA 0.299 63.436 63.100 0.062 0.000 0.770 417 P CB 0.110 31.833 31.700 0.038 0.000 0.867 418 F N 1.735 121.701 119.950 0.027 0.000 2.396 418 F HA 0.165 4.692 4.527 -0.000 0.000 0.343 418 F C 2.322 178.142 175.800 0.033 0.000 1.104 418 F CA -0.684 57.336 58.000 0.033 0.000 1.161 418 F CB 1.607 40.635 39.000 0.047 0.000 1.146 418 F HN 0.390 nan 8.300 nan 0.000 0.522 419 Q N 1.991 121.888 119.800 0.161 0.000 2.077 419 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 419 Q C 1.687 177.744 176.000 0.096 0.000 0.989 419 Q CA 1.863 57.717 55.803 0.085 0.000 0.853 419 Q CB -0.115 28.637 28.738 0.023 0.000 0.907 419 Q HN 0.628 nan 8.270 nan 0.000 0.418 420 V N 0.276 120.261 119.914 0.118 0.000 2.867 420 V HA -0.148 3.972 4.120 0.000 0.000 0.260 420 V C 1.464 177.676 176.094 0.198 0.000 1.099 420 V CA 1.507 63.886 62.300 0.132 0.000 1.122 420 V CB -0.257 31.639 31.823 0.122 0.000 0.708 420 V HN 0.498 nan 8.190 nan 0.000 0.490 421 A N -1.355 121.609 122.820 0.240 0.000 2.574 421 A HA 0.253 4.574 4.320 0.000 0.000 0.283 421 A C 1.556 179.239 177.584 0.165 0.000 1.270 421 A CA -0.210 51.994 52.037 0.280 0.000 0.945 421 A CB -0.133 18.996 19.000 0.215 0.000 1.127 421 A HN 0.505 nan 8.150 nan 0.000 0.522 422 E N -0.361 119.880 120.200 0.068 0.000 2.204 422 E HA -0.127 4.223 4.350 0.000 0.000 0.195 422 E C 1.516 178.056 176.600 -0.099 0.000 0.990 422 E CA 1.238 57.641 56.400 0.005 0.000 0.821 422 E CB -0.051 29.649 29.700 -0.001 0.000 0.750 422 E HN 0.453 nan 8.360 nan 0.000 0.477 423 V N 0.353 120.114 119.914 -0.256 0.000 2.548 423 V HA -0.200 3.920 4.120 0.000 0.000 0.249 423 V C 1.651 177.455 176.094 -0.484 0.000 1.055 423 V CA 1.558 63.581 62.300 -0.461 0.000 1.065 423 V CB -0.433 30.960 31.823 -0.717 0.000 0.681 423 V HN 0.222 nan 8.190 nan 0.000 0.462 424 F N 0.704 120.626 119.950 -0.046 0.000 2.387 424 F HA -0.042 4.485 4.527 0.000 0.000 0.294 424 F C 2.674 178.442 175.800 -0.052 0.000 1.093 424 F CA 1.223 59.183 58.000 -0.066 0.000 1.420 424 F CB -0.874 38.051 39.000 -0.125 0.000 1.086 424 F HN 0.230 nan 8.300 nan 0.000 0.531 425 T N -3.075 111.546 114.554 0.111 0.000 2.978 425 T HA 0.248 4.599 4.350 0.000 0.000 0.262 425 T C 1.982 176.685 174.700 0.006 0.000 1.063 425 T CA 0.758 62.927 62.100 0.114 0.000 1.140 425 T CB -0.428 68.528 68.868 0.148 0.000 0.886 425 T HN 0.434 nan 8.240 nan 0.000 0.470 426 G N 1.179 109.929 108.800 -0.084 0.000 2.155 426 G HA2 -0.231 3.729 3.960 0.000 0.000 0.257 426 G HA3 -0.231 3.729 3.960 0.000 0.000 0.257 426 G C -0.112 174.563 174.900 -0.374 0.000 0.983 426 G CA 0.535 45.503 45.100 -0.221 0.000 0.676 426 G HN 0.846 nan 8.290 nan 0.000 0.528 427 H N -1.685 117.379 119.070 -0.010 0.000 2.679 427 H HA 0.631 5.187 4.556 0.000 0.000 0.367 427 H C 0.103 175.428 175.328 -0.005 0.000 1.162 427 H CA -1.014 55.027 56.048 -0.013 0.000 1.181 427 H CB 1.735 31.480 29.762 -0.029 0.000 1.693 427 H HN 0.216 nan 8.280 nan 0.000 0.538 428 L N 1.889 123.187 121.223 0.125 0.000 2.455 428 L HA 0.261 4.601 4.340 0.000 0.000 0.272 428 L C 0.843 177.761 176.870 0.081 0.000 1.174 428 L CA 0.253 55.137 54.840 0.073 0.000 0.869 428 L CB 0.217 42.305 42.059 0.049 0.000 1.130 428 L HN 0.848 nan 8.230 nan 0.000 0.474 429 G N 4.541 113.386 108.800 0.075 0.000 2.391 429 G HA2 0.166 4.126 3.960 0.000 0.000 0.234 429 G HA3 0.166 4.126 3.960 0.000 0.000 0.234 429 G C -0.468 174.468 174.900 0.061 0.000 1.284 429 G CA -0.416 44.738 45.100 0.090 0.000 0.873 429 G HN 0.570 nan 8.290 nan 0.000 0.549 430 K N 1.036 121.479 120.400 0.071 0.000 2.371 430 K HA 0.486 4.806 4.320 0.000 0.000 0.251 430 K C -1.184 175.432 176.600 0.028 0.000 0.934 430 K CA -0.770 55.539 56.287 0.037 0.000 0.798 430 K CB 2.894 35.405 32.500 0.018 0.000 1.204 430 K HN 0.380 nan 8.250 nan 0.000 0.427 431 L N 2.137 123.363 121.223 0.006 0.000 2.404 431 L HA 0.407 4.747 4.340 0.000 0.000 0.272 431 L C -1.301 175.567 176.870 -0.004 0.000 0.980 431 L CA -0.872 53.963 54.840 -0.008 0.000 0.836 431 L CB 1.737 43.785 42.059 -0.017 0.000 1.238 431 L HN 0.243 nan 8.230 nan 0.000 0.408 432 V N 5.937 125.847 119.914 -0.006 0.000 2.384 432 V HA 0.450 4.570 4.120 0.000 0.000 0.287 432 V C -2.095 174.000 176.094 0.002 0.000 1.020 432 V CA -1.766 60.534 62.300 -0.001 0.000 0.850 432 V CB 1.426 33.241 31.823 -0.013 0.000 0.987 432 V HN 0.648 nan 8.190 nan 0.000 0.436 433 P HA 0.085 nan 4.420 nan 0.000 0.269 433 P C 0.741 178.045 177.300 0.006 0.000 1.209 433 P CA -0.325 62.780 63.100 0.009 0.000 0.776 433 P CB 0.728 32.437 31.700 0.015 0.000 0.876 434 L N 3.862 125.081 121.223 -0.007 0.000 2.013 434 L HA -0.229 4.111 4.340 0.000 0.000 0.212 434 L C 1.820 178.669 176.870 -0.035 0.000 1.073 434 L CA 2.065 56.883 54.840 -0.037 0.000 0.753 434 L CB -0.904 41.125 42.059 -0.050 0.000 0.890 434 L HN 0.253 nan 8.230 nan 0.000 0.432 435 K N -0.222 120.173 120.400 -0.008 0.000 2.147 435 K HA -0.177 4.143 4.320 0.000 0.000 0.205 435 K C 2.004 178.627 176.600 0.039 0.000 1.049 435 K CA 1.685 57.978 56.287 0.010 0.000 0.936 435 K CB -0.154 32.358 32.500 0.021 0.000 0.722 435 K HN 0.590 nan 8.250 nan 0.000 0.446 436 E N -0.121 120.108 120.200 0.048 0.000 2.107 436 E HA -0.084 4.266 4.350 0.000 0.000 0.191 436 E C 1.897 178.573 176.600 0.126 0.000 0.982 436 E CA 1.153 57.599 56.400 0.078 0.000 0.809 436 E CB 0.024 29.764 29.700 0.066 0.000 0.756 436 E HN 0.236 nan 8.360 nan 0.000 0.459 437 T N 1.551 116.175 114.554 0.115 0.000 2.674 437 T HA -0.157 4.193 4.350 0.000 0.000 0.265 437 T C 2.004 176.889 174.700 0.309 0.000 1.039 437 T CA 1.048 63.272 62.100 0.207 0.000 1.150 437 T CB -0.259 68.687 68.868 0.130 0.000 0.864 437 T HN 0.091 nan 8.240 nan 0.000 0.427 438 I N 0.992 121.649 120.570 0.145 0.000 2.118 438 I HA -0.243 3.927 4.170 0.000 0.000 0.241 438 I C 2.650 178.878 176.117 0.186 0.000 1.070 438 I CA 1.534 62.915 61.300 0.135 0.000 1.327 438 I CB -0.379 37.629 38.000 0.014 0.000 1.034 438 I HN 0.198 nan 8.210 nan 0.000 0.405 439 K N 1.038 121.522 120.400 0.139 0.000 2.020 439 K HA -0.207 4.113 4.320 0.000 0.000 0.212 439 K C 2.146 178.831 176.600 0.142 0.000 1.050 439 K CA 1.934 58.294 56.287 0.122 0.000 0.929 439 K CB -0.550 32.007 32.500 0.095 0.000 0.714 439 K HN 0.410 nan 8.250 nan 0.000 0.443 440 G N 0.234 109.135 108.800 0.168 0.000 2.459 440 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 440 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 440 G C 1.304 176.191 174.900 -0.022 0.000 1.183 440 G CA 1.006 46.147 45.100 0.068 0.000 0.776 440 G HN 0.323 nan 8.290 nan 0.000 0.552 441 F N 0.474 120.579 119.950 0.257 0.000 2.259 441 F HA 0.041 4.568 4.527 0.000 0.000 0.298 441 F C 2.901 178.756 175.800 0.093 0.000 1.088 441 F CA 1.336 59.444 58.000 0.179 0.000 1.358 441 F CB -0.133 38.974 39.000 0.178 0.000 1.040 441 F HN 0.155 nan 8.300 nan 0.000 0.505 442 Q N 0.320 120.267 119.800 0.245 0.000 2.084 442 Q HA -0.256 4.084 4.340 0.000 0.000 0.202 442 Q C 2.128 178.180 176.000 0.087 0.000 0.978 442 Q CA 1.769 57.658 55.803 0.143 0.000 0.844 442 Q CB -0.079 28.729 28.738 0.117 0.000 0.898 442 Q HN 0.496 nan 8.270 nan 0.000 0.426 443 Q N -0.125 119.723 119.800 0.080 0.000 2.079 443 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 443 Q C 2.132 178.136 176.000 0.007 0.000 0.974 443 Q CA 1.322 57.137 55.803 0.020 0.000 0.840 443 Q CB -0.027 28.757 28.738 0.076 0.000 0.898 443 Q HN 0.459 nan 8.270 nan 0.000 0.430 444 I N 0.668 121.285 120.570 0.078 0.000 2.142 444 I HA -0.309 3.861 4.170 0.000 0.000 0.240 444 I C 2.193 178.314 176.117 0.006 0.000 1.078 444 I CA 1.160 62.483 61.300 0.038 0.000 1.343 444 I CB -0.344 37.602 38.000 -0.089 0.000 1.046 444 I HN 0.198 nan 8.210 nan 0.000 0.405 445 L N 0.695 121.944 121.223 0.042 0.000 2.079 445 L HA -0.215 4.125 4.340 0.000 0.000 0.210 445 L C 2.533 179.407 176.870 0.007 0.000 1.081 445 L CA 1.277 56.136 54.840 0.032 0.000 0.752 445 L CB -0.617 41.477 42.059 0.059 0.000 0.896 445 L HN 0.278 nan 8.230 nan 0.000 0.433 446 A N -0.597 122.220 122.820 -0.004 0.000 2.235 446 A HA 0.247 4.567 4.320 0.000 0.000 0.208 446 A C 1.746 179.305 177.584 -0.042 0.000 1.172 446 A CA 0.759 52.782 52.037 -0.022 0.000 0.786 446 A CB -0.548 18.434 19.000 -0.029 0.000 0.804 446 A HN 0.556 nan 8.150 nan 0.000 0.479 447 G N -0.628 108.147 108.800 -0.042 0.000 2.143 447 G HA2 -0.294 3.666 3.960 0.000 0.000 0.249 447 G HA3 -0.294 3.666 3.960 0.000 0.000 0.249 447 G C 0.542 175.405 174.900 -0.061 0.000 0.981 447 G CA 0.601 45.679 45.100 -0.036 0.000 0.665 447 G HN 0.603 nan 8.290 nan 0.000 0.528 448 E N -1.111 118.987 120.200 -0.170 0.000 2.265 448 E HA -0.047 4.303 4.350 0.000 0.000 0.196 448 E C 0.840 177.207 176.600 -0.389 0.000 0.996 448 E CA 0.997 57.183 56.400 -0.357 0.000 0.832 448 E CB -0.064 29.267 29.700 -0.614 0.000 0.756 448 E HN 0.811 nan 8.360 nan 0.000 0.491 449 Y N -0.540 119.814 120.300 0.090 0.000 2.715 449 Y HA 0.127 4.677 4.550 0.000 0.000 0.255 449 Y C 0.682 176.574 175.900 -0.014 0.000 1.139 449 Y CA -0.693 57.422 58.100 0.026 0.000 1.151 449 Y CB 0.687 39.224 38.460 0.127 0.000 1.201 449 Y HN -0.104 nan 8.280 nan 0.000 0.556 450 D N -0.065 120.443 120.400 0.180 0.000 2.263 450 D HA -0.168 4.472 4.640 0.000 0.000 0.208 450 D C 1.984 178.368 176.300 0.141 0.000 0.971 450 D CA 1.384 55.455 54.000 0.118 0.000 0.867 450 D CB -0.101 40.751 40.800 0.086 0.000 0.929 450 D HN 0.614 nan 8.370 nan 0.000 0.492 451 H N -0.432 118.689 119.070 0.085 0.000 2.535 451 H HA 0.100 4.656 4.556 0.000 0.000 0.273 451 H C 0.880 176.265 175.328 0.096 0.000 0.983 451 H CA -0.000 56.091 56.048 0.072 0.000 1.238 451 H CB -0.348 29.446 29.762 0.053 0.000 1.412 451 H HN 0.103 nan 8.280 nan 0.000 0.562 452 L N 3.312 124.385 121.223 -0.249 0.000 2.395 452 L HA 0.265 4.605 4.340 0.000 0.000 0.269 452 L C -2.026 174.881 176.870 0.061 0.000 1.133 452 L CA -1.949 52.815 54.840 -0.126 0.000 0.812 452 L CB 0.961 42.937 42.059 -0.140 0.000 1.125 452 L HN 0.060 nan 8.230 nan 0.000 0.452 453 P HA 0.133 nan 4.420 nan 0.000 0.280 453 P C 0.151 177.552 177.300 0.168 0.000 1.244 453 P CA -0.364 62.780 63.100 0.073 0.000 0.784 453 P CB 1.146 32.862 31.700 0.026 0.000 0.913 454 E N 1.336 121.635 120.200 0.166 0.000 2.132 454 E HA -0.341 4.009 4.350 0.000 0.000 0.218 454 E C 1.752 178.511 176.600 0.265 0.000 1.058 454 E CA 2.062 58.585 56.400 0.206 0.000 0.882 454 E CB -0.225 29.519 29.700 0.074 0.000 0.774 454 E HN 0.507 nan 8.360 nan 0.000 0.467 455 Q N 0.095 119.975 119.800 0.133 0.000 2.248 455 Q HA -0.178 4.162 4.340 0.000 0.000 0.208 455 Q C 1.766 177.828 176.000 0.104 0.000 0.984 455 Q CA 1.629 57.499 55.803 0.113 0.000 0.875 455 Q CB -0.268 28.505 28.738 0.057 0.000 0.910 455 Q HN 0.342 nan 8.270 nan 0.000 0.433 456 A N -0.961 121.854 122.820 -0.009 0.000 2.019 456 A HA -0.103 4.217 4.320 0.000 0.000 0.219 456 A C 1.404 178.792 177.584 -0.325 0.000 1.164 456 A CA 1.144 53.036 52.037 -0.243 0.000 0.644 456 A CB -0.607 18.104 19.000 -0.482 0.000 0.805 456 A HN 0.484 nan 8.150 nan 0.000 0.449 457 F N -2.638 117.312 119.950 -0.000 0.000 2.754 457 F HA 0.192 4.719 4.527 0.000 0.000 0.297 457 F C 0.774 176.674 175.800 0.168 0.000 1.122 457 F CA -0.325 57.706 58.000 0.052 0.000 1.400 457 F CB -0.220 38.788 39.000 0.013 0.000 1.117 457 F HN 0.274 nan 8.300 nan 0.000 0.587 458 Y N 1.430 121.818 120.300 0.147 0.000 2.359 458 Y HA 0.250 4.800 4.550 -0.000 0.000 0.330 458 Y C 0.838 176.726 175.900 -0.021 0.000 1.143 458 Y CA -1.420 56.728 58.100 0.080 0.000 1.318 458 Y CB 0.319 38.819 38.460 0.066 0.000 1.234 458 Y HN 0.054 nan 8.280 nan 0.000 0.522 459 M N 5.355 124.557 119.600 -0.665 0.000 2.302 459 M HA -0.175 4.305 4.480 0.000 0.000 0.200 459 M C -0.984 175.050 176.300 -0.444 0.000 0.366 459 M CA 1.093 55.975 55.300 -0.697 0.000 0.440 459 M CB -2.691 29.271 32.600 -1.063 0.000 1.475 459 M HN 0.441 nan 8.290 nan 0.000 0.905 460 V N -3.610 116.172 119.914 -0.220 0.000 3.181 460 V HA 1.084 5.204 4.120 0.000 0.000 0.314 460 V C 0.832 176.874 176.094 -0.088 0.000 1.173 460 V CA -0.071 62.153 62.300 -0.127 0.000 1.052 460 V CB 1.499 33.297 31.823 -0.041 0.000 1.123 460 V HN 0.340 nan 8.190 nan 0.000 0.454 461 G N -0.051 108.726 108.800 -0.039 0.000 2.992 461 G HA2 0.471 4.431 3.960 0.000 0.000 0.195 461 G HA3 0.471 4.431 3.960 0.000 0.000 0.195 461 G C -2.255 172.651 174.900 0.011 0.000 2.032 461 G CA -0.215 44.864 45.100 -0.035 0.000 0.831 461 G HN 0.766 nan 8.290 nan 0.000 0.647 462 P HA 0.191 nan 4.420 nan 0.000 0.274 462 P C 0.692 178.124 177.300 0.219 0.000 1.246 462 P CA -0.604 62.584 63.100 0.146 0.000 0.795 462 P CB 1.667 33.410 31.700 0.072 0.000 1.006 463 I N 1.022 121.720 120.570 0.213 0.000 2.315 463 I HA -0.267 3.903 4.170 0.000 0.000 0.251 463 I C 1.802 177.797 176.117 -0.203 0.000 1.125 463 I CA 1.836 63.051 61.300 -0.141 0.000 1.392 463 I CB -0.717 37.135 38.000 -0.246 0.000 1.065 463 I HN 0.290 nan 8.210 nan 0.000 0.424 464 E N 0.342 120.495 120.200 -0.079 0.000 2.204 464 E HA -0.208 4.142 4.350 0.000 0.000 0.195 464 E C 2.076 178.611 176.600 -0.109 0.000 0.990 464 E CA 1.184 57.535 56.400 -0.082 0.000 0.821 464 E CB -0.192 29.493 29.700 -0.025 0.000 0.750 464 E HN 0.587 nan 8.360 nan 0.000 0.477 465 E N -0.097 120.051 120.200 -0.087 0.000 2.152 465 E HA -0.071 4.279 4.350 0.000 0.000 0.192 465 E C 1.980 178.476 176.600 -0.173 0.000 0.983 465 E CA 0.700 57.045 56.400 -0.092 0.000 0.818 465 E CB -0.045 29.626 29.700 -0.047 0.000 0.758 465 E HN 0.276 nan 8.360 nan 0.000 0.467 466 A N 0.884 123.542 122.820 -0.269 0.000 1.898 466 A HA -0.126 4.194 4.320 0.000 0.000 0.216 466 A C 2.449 179.695 177.584 -0.564 0.000 1.181 466 A CA 0.977 52.701 52.037 -0.521 0.000 0.620 466 A CB -0.522 17.961 19.000 -0.862 0.000 0.819 466 A HN 0.100 nan 8.150 nan 0.000 0.442 467 V N -0.155 119.482 119.914 -0.462 0.000 2.307 467 V HA -0.230 3.890 4.120 0.000 0.000 0.245 467 V C 3.060 179.035 176.094 -0.198 0.000 1.045 467 V CA 1.911 64.018 62.300 -0.322 0.000 1.024 467 V CB -1.194 30.513 31.823 -0.193 0.000 0.651 467 V HN 0.604 nan 8.190 nan 0.000 0.449 468 A N -0.517 122.211 122.820 -0.154 0.000 1.933 468 A HA -0.263 4.057 4.320 0.000 0.000 0.218 468 A C 2.346 179.869 177.584 -0.101 0.000 1.175 468 A CA 2.145 54.123 52.037 -0.098 0.000 0.628 468 A CB -0.478 18.479 19.000 -0.071 0.000 0.814 468 A HN 0.505 nan 8.150 nan 0.000 0.444 469 K N -0.445 119.873 120.400 -0.138 0.000 2.097 469 K HA -0.057 4.263 4.320 0.000 0.000 0.205 469 K C 2.138 178.662 176.600 -0.126 0.000 1.050 469 K CA 1.047 57.262 56.287 -0.120 0.000 0.938 469 K CB -0.269 32.146 32.500 -0.141 0.000 0.718 469 K HN 0.399 nan 8.250 nan 0.000 0.442 470 A N 1.361 124.067 122.820 -0.189 0.000 1.930 470 A HA -0.164 4.156 4.320 0.000 0.000 0.217 470 A C 1.516 179.048 177.584 -0.087 0.000 1.175 470 A CA 1.859 53.800 52.037 -0.161 0.000 0.627 470 A CB -0.350 18.510 19.000 -0.233 0.000 0.815 470 A HN 0.314 nan 8.150 nan 0.000 0.443 471 D N -0.529 119.825 120.400 -0.076 0.000 2.123 471 D HA -0.080 4.560 4.640 0.000 0.000 0.200 471 D C 1.870 178.153 176.300 -0.029 0.000 0.976 471 D CA 1.201 55.178 54.000 -0.039 0.000 0.831 471 D CB -0.224 40.556 40.800 -0.034 0.000 0.974 471 D HN 0.460 nan 8.370 nan 0.000 0.469 472 K N 0.187 120.566 120.400 -0.034 0.000 2.148 472 K HA 0.015 4.335 4.320 0.000 0.000 0.204 472 K C 2.030 178.622 176.600 -0.014 0.000 1.050 472 K CA 0.376 56.651 56.287 -0.020 0.000 0.942 472 K CB 0.009 32.498 32.500 -0.018 0.000 0.724 472 K HN 0.105 nan 8.250 nan 0.000 0.446 473 L N 0.643 121.854 121.223 -0.021 0.000 2.291 473 L HA -0.016 4.324 4.340 0.000 0.000 0.214 473 L C 0.901 177.767 176.870 -0.007 0.000 1.120 473 L CA 0.292 55.124 54.840 -0.012 0.000 0.799 473 L CB -0.608 41.440 42.059 -0.019 0.000 0.925 473 L HN 0.237 nan 8.230 nan 0.000 0.446 474 A N 0.000 122.814 122.820 -0.010 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 474 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486