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 2wss_1_D 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 KADKLAE 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 0.000 174.833 174.700 0.222 0.000 1.109 9 T CA 0.000 62.180 62.100 0.134 0.000 1.349 9 T CB 0.000 68.945 68.868 0.128 0.000 0.612 10 T N 0.035 114.703 114.554 0.190 0.000 2.859 10 T HA 0.738 5.088 4.350 0.001 0.000 0.281 10 T C -0.045 174.629 174.700 -0.042 0.000 1.005 10 T CA 0.299 62.462 62.100 0.104 0.000 1.025 10 T CB 0.679 69.562 68.868 0.026 0.000 0.977 10 T HN 1.132 nan 8.240 nan 0.000 0.458 11 G N 2.554 111.161 108.800 -0.322 0.000 2.642 11 G HA2 0.709 4.669 3.960 0.001 0.000 0.293 11 G HA3 0.709 4.669 3.960 0.001 0.000 0.293 11 G C -1.667 172.939 174.900 -0.490 0.000 1.341 11 G CA -1.002 43.550 45.100 -0.913 0.000 0.916 11 G HN 0.764 nan 8.290 nan 0.000 0.474 12 R N 0.872 121.105 120.500 -0.444 0.000 2.476 12 R HA 0.437 4.778 4.340 0.001 0.000 0.305 12 R C -0.399 175.786 176.300 -0.191 0.000 0.965 12 R CA -0.916 55.044 56.100 -0.235 0.000 0.867 12 R CB 2.224 32.424 30.300 -0.167 0.000 1.176 12 R HN 0.407 nan 8.270 nan 0.000 0.447 13 I N 3.368 123.861 120.570 -0.127 0.000 2.821 13 I HA -0.158 4.012 4.170 0.001 0.000 0.294 13 I C 1.350 177.427 176.117 -0.066 0.000 1.210 13 I CA 0.227 61.477 61.300 -0.082 0.000 1.430 13 I CB 0.736 38.704 38.000 -0.052 0.000 1.356 13 I HN 0.571 nan 8.210 nan 0.000 0.563 14 V N 4.590 124.473 119.914 -0.052 0.000 3.125 14 V HA 0.374 4.494 4.120 0.001 0.000 0.249 14 V C 0.710 176.790 176.094 -0.023 0.000 1.113 14 V CA 0.684 62.962 62.300 -0.037 0.000 1.106 14 V CB -0.447 31.358 31.823 -0.030 0.000 0.768 14 V HN 0.850 nan 8.190 nan 0.000 0.468 15 A N -0.756 122.054 122.820 -0.017 0.000 2.608 15 A HA 0.766 5.087 4.320 0.001 0.000 0.292 15 A C -1.581 175.998 177.584 -0.007 0.000 1.066 15 A CA -0.378 51.653 52.037 -0.010 0.000 0.676 15 A CB 2.044 21.041 19.000 -0.006 0.000 1.277 15 A HN 0.184 nan 8.150 nan 0.000 0.413 16 V N 2.727 122.638 119.914 -0.006 0.000 2.610 16 V HA 0.454 4.574 4.120 0.001 0.000 0.298 16 V C -1.126 174.966 176.094 -0.004 0.000 1.067 16 V CA -0.272 62.026 62.300 -0.004 0.000 0.894 16 V CB 1.516 33.335 31.823 -0.006 0.000 1.015 16 V HN 0.744 nan 8.190 nan 0.000 0.432 17 I N 2.907 123.476 120.570 -0.002 0.000 2.465 17 I HA 0.596 4.766 4.170 0.001 0.000 0.291 17 I C 1.367 177.482 176.117 -0.003 0.000 1.014 17 I CA 0.061 61.359 61.300 -0.003 0.000 1.093 17 I CB 1.284 39.282 38.000 -0.003 0.000 1.267 17 I HN 0.738 nan 8.210 nan 0.000 0.431 18 G N 5.251 114.049 108.800 -0.005 0.000 3.089 18 G HA2 -0.424 3.536 3.960 0.001 0.000 0.369 18 G HA3 -0.424 3.536 3.960 0.001 0.000 0.369 18 G C 0.766 175.663 174.900 -0.004 0.000 1.391 18 G CA 1.596 46.693 45.100 -0.005 0.000 1.324 18 G HN 1.046 nan 8.290 nan 0.000 0.748 19 A N -1.350 121.468 122.820 -0.004 0.000 2.585 19 A HA 0.677 4.997 4.320 0.001 0.000 0.266 19 A C 0.072 177.657 177.584 0.002 0.000 1.178 19 A CA 0.972 53.008 52.037 -0.002 0.000 0.966 19 A CB 0.983 19.980 19.000 -0.005 0.000 1.170 19 A HN 1.151 nan 8.150 nan 0.000 0.558 20 V N 1.469 121.384 119.914 0.003 0.000 2.409 20 V HA 0.390 4.511 4.120 0.001 0.000 0.290 20 V C -0.863 175.237 176.094 0.009 0.000 1.017 20 V CA -0.506 61.798 62.300 0.007 0.000 0.841 20 V CB 1.524 33.350 31.823 0.004 0.000 1.003 20 V HN 0.109 nan 8.190 nan 0.000 0.426 21 V N 4.002 123.925 119.914 0.015 0.000 2.384 21 V HA 0.484 4.604 4.120 0.001 0.000 0.287 21 V C -0.492 175.616 176.094 0.024 0.000 1.020 21 V CA -0.858 61.450 62.300 0.014 0.000 0.850 21 V CB 1.831 33.661 31.823 0.012 0.000 0.987 21 V HN 0.827 nan 8.190 nan 0.000 0.436 22 D N 3.627 124.038 120.400 0.018 0.000 2.264 22 D HA 0.616 5.256 4.640 0.001 0.000 0.249 22 D C -0.279 176.029 176.300 0.013 0.000 1.070 22 D CA -0.182 53.834 54.000 0.027 0.000 0.912 22 D CB 1.942 42.754 40.800 0.021 0.000 1.193 22 D HN 0.277 nan 8.370 nan 0.000 0.427 23 V N 0.701 120.633 119.914 0.031 0.000 2.925 23 V HA 0.388 4.508 4.120 0.001 0.000 0.311 23 V C -0.613 175.459 176.094 -0.038 0.000 1.104 23 V CA -0.951 61.329 62.300 -0.033 0.000 0.954 23 V CB 2.090 33.907 31.823 -0.010 0.000 1.022 23 V HN 0.465 nan 8.190 nan 0.000 0.427 24 Q N 1.792 121.476 119.800 -0.195 0.000 2.337 24 Q HA 0.674 5.014 4.340 0.001 0.000 0.266 24 Q C -2.123 173.689 176.000 -0.312 0.000 1.023 24 Q CA -0.502 55.227 55.803 -0.124 0.000 0.829 24 Q CB 1.867 30.554 28.738 -0.084 0.000 1.306 24 Q HN 0.638 nan 8.270 nan 0.000 0.449 25 F N 3.565 123.490 119.950 -0.042 0.000 2.445 25 F HA 0.187 4.714 4.527 0.001 0.000 0.348 25 F C 0.901 176.680 175.800 -0.035 0.000 1.125 25 F CA -0.654 57.322 58.000 -0.039 0.000 0.983 25 F CB 1.417 40.386 39.000 -0.051 0.000 1.198 25 F HN 0.706 nan 8.300 nan 0.000 0.436 26 D N 1.920 122.376 120.400 0.093 0.000 2.248 26 D HA -0.270 4.371 4.640 0.001 0.000 0.189 26 D C 0.756 177.104 176.300 0.080 0.000 1.011 26 D CA 2.249 56.288 54.000 0.064 0.000 0.868 26 D CB 0.221 41.046 40.800 0.042 0.000 0.931 26 D HN 0.644 nan 8.370 nan 0.000 0.449 27 E N -0.525 119.743 120.200 0.114 0.000 3.454 27 E HA 0.158 4.508 4.350 0.001 0.000 0.208 27 E C 1.366 177.987 176.600 0.035 0.000 1.153 27 E CA 0.238 56.676 56.400 0.064 0.000 1.553 27 E CB 0.190 29.917 29.700 0.045 0.000 1.423 27 E HN 0.181 nan 8.360 nan 0.000 0.662 28 G N 2.918 111.742 108.800 0.040 0.000 3.101 28 G HA2 0.273 4.233 3.960 0.001 0.000 0.272 28 G HA3 0.273 4.233 3.960 0.001 0.000 0.272 28 G C -0.199 174.478 174.900 -0.372 0.000 0.801 28 G CA -0.265 44.776 45.100 -0.098 0.000 1.978 28 G HN -0.103 nan 8.290 nan 0.000 0.591 29 L N 3.742 124.775 121.223 -0.316 0.000 2.698 29 L HA 0.221 4.561 4.340 0.001 0.000 0.272 29 L C -1.742 174.878 176.870 -0.417 0.000 1.154 29 L CA -1.862 52.696 54.840 -0.471 0.000 0.964 29 L CB 0.297 42.145 42.059 -0.352 0.000 1.272 29 L HN 0.191 nan 8.230 nan 0.000 0.483 30 P HA 0.255 nan 4.420 nan 0.000 0.276 30 P C -2.596 174.701 177.300 -0.005 0.000 1.230 30 P CA -1.442 61.503 63.100 -0.259 0.000 0.776 30 P CB 0.079 31.602 31.700 -0.295 0.000 0.888 31 P HA 0.068 nan 4.420 nan 0.000 0.269 31 P C 0.207 177.512 177.300 0.008 0.000 1.209 31 P CA 0.003 63.136 63.100 0.055 0.000 0.776 31 P CB 0.206 31.904 31.700 -0.003 0.000 0.876 32 I N 2.900 123.423 120.570 -0.078 0.000 2.948 32 I HA -0.154 4.017 4.170 0.001 0.000 0.303 32 I C 1.595 177.646 176.117 -0.111 0.000 1.224 32 I CA 0.590 61.826 61.300 -0.108 0.000 1.442 32 I CB -0.613 37.279 38.000 -0.181 0.000 1.328 32 I HN 0.598 nan 8.210 nan 0.000 0.578 33 L N 0.998 122.145 121.223 -0.127 0.000 2.794 33 L HA -0.235 4.106 4.340 0.001 0.000 0.442 33 L C 0.494 177.315 176.870 -0.082 0.000 0.710 33 L CA 0.613 55.327 54.840 -0.211 0.000 2.990 33 L CB -1.071 40.801 42.059 -0.311 0.000 0.803 33 L HN 0.714 nan 8.230 nan 0.000 0.711 34 N N 1.857 120.535 118.700 -0.037 0.000 2.365 34 N HA 0.332 5.073 4.740 0.001 0.000 0.265 34 N C 0.282 175.803 175.510 0.019 0.000 1.288 34 N CA 1.110 54.157 53.050 -0.003 0.000 0.869 34 N CB 0.699 39.175 38.487 -0.018 0.000 1.071 34 N HN 0.348 nan 8.380 nan 0.000 0.480 35 A N 3.799 126.641 122.820 0.037 0.000 2.454 35 A HA 0.345 4.665 4.320 0.001 0.000 0.260 35 A C 0.104 177.715 177.584 0.045 0.000 1.106 35 A CA -0.237 51.827 52.037 0.045 0.000 0.780 35 A CB 0.071 19.096 19.000 0.042 0.000 1.044 35 A HN 0.653 nan 8.150 nan 0.000 0.498 36 L N 1.759 123.019 121.223 0.060 0.000 2.334 36 L HA 0.544 4.884 4.340 0.001 0.000 0.270 36 L C -0.060 176.852 176.870 0.071 0.000 1.018 36 L CA -0.805 54.086 54.840 0.086 0.000 0.811 36 L CB 1.570 43.712 42.059 0.138 0.000 1.271 36 L HN 0.608 nan 8.230 nan 0.000 0.443 37 E N 1.578 121.823 120.200 0.076 0.000 2.165 37 E HA 0.294 4.644 4.350 0.001 0.000 0.266 37 E C -1.101 175.523 176.600 0.041 0.000 0.889 37 E CA -0.553 55.877 56.400 0.050 0.000 0.756 37 E CB 2.580 32.307 29.700 0.044 0.000 1.131 37 E HN 0.152 nan 8.360 nan 0.000 0.411 38 V N 4.473 124.403 119.914 0.026 0.000 2.389 38 V HA 0.040 4.161 4.120 0.001 0.000 0.264 38 V C 0.306 176.404 176.094 0.008 0.000 1.049 38 V CA -0.490 61.818 62.300 0.013 0.000 0.932 38 V CB 0.882 32.710 31.823 0.009 0.000 1.011 38 V HN 0.422 nan 8.190 nan 0.000 0.475 39 Q N 3.440 123.242 119.800 0.003 0.000 2.307 39 Q HA 0.474 4.815 4.340 0.001 0.000 0.259 39 Q C 0.958 176.955 176.000 -0.003 0.000 0.998 39 Q CA 0.650 56.454 55.803 0.001 0.000 0.923 39 Q CB 1.200 29.938 28.738 -0.001 0.000 1.196 39 Q HN 1.095 nan 8.270 nan 0.000 0.416 40 G N 2.865 111.664 108.800 -0.001 0.000 2.157 40 G HA2 -0.124 3.836 3.960 0.001 0.000 0.114 40 G HA3 -0.124 3.836 3.960 0.001 0.000 0.114 40 G C -0.204 174.695 174.900 -0.003 0.000 1.041 40 G CA -0.687 44.411 45.100 -0.003 0.000 0.714 40 G HN 0.344 nan 8.290 nan 0.000 0.492 41 R N 0.191 120.690 120.500 -0.001 0.000 2.664 41 R HA 0.476 4.816 4.340 0.001 0.000 0.286 41 R C 0.575 176.874 176.300 -0.001 0.000 0.967 41 R CA -0.840 55.260 56.100 -0.001 0.000 0.933 41 R CB 1.415 31.715 30.300 -0.000 0.000 1.146 41 R HN 0.287 nan 8.270 nan 0.000 0.468 42 E N 0.586 120.785 120.200 -0.002 0.000 2.511 42 E HA -0.017 4.334 4.350 0.001 0.000 0.196 42 E C -0.614 175.985 176.600 -0.002 0.000 1.066 42 E CA 0.642 57.041 56.400 -0.002 0.000 0.871 42 E CB 0.460 30.158 29.700 -0.002 0.000 0.863 42 E HN 0.579 nan 8.360 nan 0.000 0.520 43 T N -1.458 113.095 114.554 -0.002 0.000 2.982 43 T HA 0.266 4.616 4.350 0.001 0.000 0.321 43 T C -0.549 174.150 174.700 -0.001 0.000 1.229 43 T CA -0.909 61.189 62.100 -0.002 0.000 1.044 43 T CB 1.844 70.710 68.868 -0.004 0.000 1.184 43 T HN -0.020 nan 8.240 nan 0.000 0.477 44 R N 1.110 121.609 120.500 -0.002 0.000 2.538 44 R HA 0.366 4.706 4.340 0.001 0.000 0.282 44 R C -1.135 175.166 176.300 0.001 0.000 1.009 44 R CA -0.298 55.801 56.100 -0.000 0.000 1.063 44 R CB 0.097 30.395 30.300 -0.002 0.000 0.945 44 R HN 0.582 nan 8.270 nan 0.000 0.414 45 L N 5.679 126.905 121.223 0.005 0.000 2.372 45 L HA 0.343 4.684 4.340 0.001 0.000 0.273 45 L C -1.155 175.723 176.870 0.014 0.000 0.989 45 L CA -0.562 54.282 54.840 0.008 0.000 0.841 45 L CB 1.982 44.045 42.059 0.007 0.000 1.225 45 L HN 0.338 nan 8.230 nan 0.000 0.414 46 V N 5.126 125.049 119.914 0.015 0.000 2.630 46 V HA 0.491 4.611 4.120 0.001 0.000 0.305 46 V C -0.128 175.985 176.094 0.032 0.000 1.046 46 V CA -0.722 61.592 62.300 0.024 0.000 0.934 46 V CB 1.805 33.640 31.823 0.019 0.000 1.003 46 V HN 0.491 nan 8.190 nan 0.000 0.451 47 L N 2.803 124.052 121.223 0.043 0.000 2.401 47 L HA 0.461 4.801 4.340 0.001 0.000 0.263 47 L C 0.244 177.148 176.870 0.056 0.000 1.004 47 L CA -0.203 54.666 54.840 0.049 0.000 0.881 47 L CB 1.345 43.439 42.059 0.057 0.000 1.219 47 L HN 0.756 nan 8.230 nan 0.000 0.441 48 E N 2.567 122.800 120.200 0.055 0.000 2.406 48 E HA 0.110 4.460 4.350 0.001 0.000 0.258 48 E C -0.355 176.268 176.600 0.038 0.000 1.043 48 E CA -0.380 56.053 56.400 0.055 0.000 0.929 48 E CB 1.085 30.835 29.700 0.084 0.000 0.969 48 E HN 0.285 nan 8.360 nan 0.000 0.462 49 V N 4.087 124.019 119.914 0.030 0.000 2.763 49 V HA 0.050 4.171 4.120 0.001 0.000 0.306 49 V C 0.997 177.093 176.094 0.003 0.000 1.059 49 V CA 1.220 63.542 62.300 0.036 0.000 1.138 49 V CB 1.164 33.013 31.823 0.044 0.000 0.940 49 V HN 0.898 nan 8.190 nan 0.000 0.489 50 A N 3.582 126.413 122.820 0.018 0.000 2.140 50 A HA 0.387 4.707 4.320 0.001 0.000 0.199 50 A C 0.382 177.957 177.584 -0.015 0.000 1.416 50 A CA 0.177 52.209 52.037 -0.009 0.000 1.018 50 A CB 0.475 19.476 19.000 0.001 0.000 1.117 50 A HN 0.875 nan 8.150 nan 0.000 0.480 51 Q N -1.266 118.551 119.800 0.029 0.000 2.633 51 Q HA 0.408 4.748 4.340 0.001 0.000 0.289 51 Q C -1.619 174.485 176.000 0.174 0.000 0.940 51 Q CA -0.775 55.039 55.803 0.018 0.000 0.785 51 Q CB 0.826 29.569 28.738 0.009 0.000 1.467 51 Q HN 0.481 nan 8.270 nan 0.000 0.401 52 H N 1.406 120.474 119.070 -0.002 0.000 2.690 52 H HA 0.270 4.826 4.556 0.001 0.000 0.280 52 H C 0.551 175.884 175.328 0.010 0.000 1.138 52 H CA -0.516 55.535 56.048 0.005 0.000 1.241 52 H CB 0.767 30.527 29.762 -0.003 0.000 1.394 52 H HN 0.448 nan 8.280 nan 0.000 0.489 53 L N 2.281 123.581 121.223 0.128 0.000 2.456 53 L HA 0.071 4.411 4.340 0.001 0.000 0.224 53 L C 1.377 178.284 176.870 0.062 0.000 1.148 53 L CA 0.622 55.506 54.840 0.074 0.000 0.825 53 L CB -0.509 41.582 42.059 0.053 0.000 0.937 53 L HN 0.845 nan 8.230 nan 0.000 0.450 54 G N -0.078 108.762 108.800 0.067 0.000 2.500 54 G HA2 -0.195 3.765 3.960 0.001 0.000 0.209 54 G HA3 -0.195 3.765 3.960 0.001 0.000 0.209 54 G C -0.127 174.783 174.900 0.018 0.000 1.283 54 G CA -0.416 44.708 45.100 0.040 0.000 0.960 54 G HN 0.232 nan 8.290 nan 0.000 0.528 55 E N -0.325 119.882 120.200 0.013 0.000 2.038 55 E HA -0.196 4.154 4.350 0.001 0.000 0.181 55 E C 0.874 177.480 176.600 0.009 0.000 1.383 55 E CA 1.059 57.464 56.400 0.009 0.000 0.677 55 E CB -1.460 28.247 29.700 0.010 0.000 1.051 55 E HN 1.778 nan 8.360 nan 0.000 0.317 56 S N -1.027 114.671 115.700 -0.004 0.000 3.486 56 S HA -0.214 4.256 4.470 0.001 0.000 0.371 56 S C 0.022 174.654 174.600 0.054 0.000 1.001 56 S CA 1.391 59.595 58.200 0.007 0.000 1.164 56 S CB -1.016 62.206 63.200 0.037 0.000 0.911 56 S HN 0.469 nan 8.310 nan 0.000 0.472 57 T N 0.574 115.145 114.554 0.029 0.000 2.876 57 T HA 0.679 5.029 4.350 0.001 0.000 0.289 57 T C -0.063 174.678 174.700 0.068 0.000 1.014 57 T CA -0.476 61.663 62.100 0.066 0.000 0.986 57 T CB 2.099 70.991 68.868 0.041 0.000 1.021 57 T HN 0.757 nan 8.240 nan 0.000 0.458 58 V N 0.599 120.587 119.914 0.124 0.000 2.577 58 V HA 0.724 4.845 4.120 0.001 0.000 0.303 58 V C -0.329 175.836 176.094 0.119 0.000 1.042 58 V CA -1.242 61.141 62.300 0.139 0.000 0.872 58 V CB 1.628 33.547 31.823 0.160 0.000 0.998 58 V HN 0.897 nan 8.190 nan 0.000 0.423 59 R N 3.177 123.735 120.500 0.097 0.000 2.441 59 R HA 0.757 5.097 4.340 0.001 0.000 0.284 59 R C 0.008 176.345 176.300 0.063 0.000 1.070 59 R CA 0.708 56.847 56.100 0.066 0.000 1.047 59 R CB 1.212 31.541 30.300 0.047 0.000 1.016 59 R HN 1.197 nan 8.270 nan 0.000 0.477 60 T N 1.070 115.654 114.554 0.049 0.000 2.853 60 T HA 0.458 4.809 4.350 0.001 0.000 0.311 60 T C -0.594 174.125 174.700 0.032 0.000 1.307 60 T CA -0.904 61.223 62.100 0.045 0.000 1.019 60 T CB 0.980 69.885 68.868 0.062 0.000 1.264 60 T HN 0.348 nan 8.240 nan 0.000 0.497 61 I N 1.966 122.554 120.570 0.030 0.000 2.428 61 I HA 0.654 4.824 4.170 0.001 0.000 0.296 61 I C 0.733 176.866 176.117 0.028 0.000 0.985 61 I CA -0.807 60.508 61.300 0.024 0.000 1.260 61 I CB 1.499 39.514 38.000 0.024 0.000 1.389 61 I HN 0.980 nan 8.210 nan 0.000 0.484 62 A N 6.498 129.330 122.820 0.020 0.000 2.301 62 A HA 0.532 4.852 4.320 0.001 0.000 0.298 62 A C 0.607 178.202 177.584 0.018 0.000 1.185 62 A CA -0.511 51.537 52.037 0.020 0.000 0.830 62 A CB 0.440 19.448 19.000 0.013 0.000 1.112 62 A HN 0.718 nan 8.150 nan 0.000 0.508 63 M N 1.235 120.846 119.600 0.020 0.000 2.568 63 M HA 0.197 4.678 4.480 0.001 0.000 0.226 63 M C -0.146 176.159 176.300 0.009 0.000 1.148 63 M CA 0.580 55.890 55.300 0.016 0.000 1.007 63 M CB -1.661 30.949 32.600 0.016 0.000 1.651 63 M HN 0.868 nan 8.290 nan 0.000 0.488 64 D N -1.698 118.707 120.400 0.008 0.000 2.725 64 D HA 0.483 5.123 4.640 0.001 0.000 0.292 64 D C -0.385 175.917 176.300 0.003 0.000 1.288 64 D CA -0.381 53.622 54.000 0.004 0.000 0.784 64 D CB 0.972 41.773 40.800 0.002 0.000 1.308 64 D HN 0.135 nan 8.370 nan 0.000 0.429 65 G N -0.875 107.925 108.800 0.001 0.000 2.441 65 G HA2 0.356 4.317 3.960 0.001 0.000 0.243 65 G HA3 0.356 4.317 3.960 0.001 0.000 0.243 65 G C 0.892 175.792 174.900 -0.000 0.000 1.281 65 G CA 0.446 45.545 45.100 -0.000 0.000 0.854 65 G HN 0.460 nan 8.290 nan 0.000 0.560 66 T N -0.659 113.894 114.554 -0.001 0.000 3.188 66 T HA 0.089 4.440 4.350 0.001 0.000 0.250 66 T C 0.822 175.520 174.700 -0.003 0.000 1.077 66 T CA 0.011 62.111 62.100 -0.001 0.000 0.967 66 T CB -0.302 68.566 68.868 -0.001 0.000 1.006 66 T HN 0.683 nan 8.240 nan 0.000 0.552 67 E N 1.168 121.366 120.200 -0.003 0.000 2.752 67 E HA 0.258 4.608 4.350 0.001 0.000 0.241 67 E C 1.127 177.725 176.600 -0.004 0.000 1.016 67 E CA 0.700 57.097 56.400 -0.004 0.000 0.952 67 E CB -0.302 29.396 29.700 -0.004 0.000 0.921 67 E HN 0.506 nan 8.360 nan 0.000 0.515 68 G N 3.351 112.148 108.800 -0.005 0.000 2.436 68 G HA2 -0.252 3.708 3.960 0.001 0.000 0.204 68 G HA3 -0.252 3.708 3.960 0.001 0.000 0.204 68 G C 0.435 175.331 174.900 -0.007 0.000 1.026 68 G CA -0.155 44.941 45.100 -0.006 0.000 0.658 68 G HN 0.464 nan 8.290 nan 0.000 0.499 69 L N 0.969 122.188 121.223 -0.007 0.000 2.498 69 L HA 0.345 4.686 4.340 0.001 0.000 0.293 69 L C 0.541 177.404 176.870 -0.012 0.000 1.271 69 L CA 0.568 55.402 54.840 -0.010 0.000 0.831 69 L CB 0.326 42.379 42.059 -0.009 0.000 1.091 69 L HN 0.146 nan 8.230 nan 0.000 0.535 70 V N 1.164 121.069 119.914 -0.016 0.000 2.932 70 V HA 0.278 4.398 4.120 0.001 0.000 0.307 70 V C -0.069 176.011 176.094 -0.023 0.000 1.147 70 V CA -0.925 61.365 62.300 -0.017 0.000 0.951 70 V CB 1.942 33.755 31.823 -0.016 0.000 1.031 70 V HN 0.627 nan 8.190 nan 0.000 0.426 71 R N 2.365 122.852 120.500 -0.022 0.000 2.561 71 R HA 0.331 4.671 4.340 0.001 0.000 0.347 71 R C 1.255 177.535 176.300 -0.033 0.000 0.916 71 R CA 1.325 57.409 56.100 -0.027 0.000 1.063 71 R CB -0.352 29.934 30.300 -0.022 0.000 0.916 71 R HN 1.239 nan 8.270 nan 0.000 0.410 72 G N 2.070 110.844 108.800 -0.044 0.000 2.255 72 G HA2 -0.265 3.695 3.960 0.001 0.000 0.196 72 G HA3 -0.265 3.695 3.960 0.001 0.000 0.196 72 G C 0.196 175.062 174.900 -0.057 0.000 0.998 72 G CA -0.236 44.832 45.100 -0.053 0.000 0.656 72 G HN 0.580 nan 8.290 nan 0.000 0.490 73 Q N 1.049 120.820 119.800 -0.047 0.000 2.394 73 Q HA 0.338 4.678 4.340 0.001 0.000 0.303 73 Q C 0.141 176.106 176.000 -0.058 0.000 1.117 73 Q CA 0.713 56.490 55.803 -0.043 0.000 0.966 73 Q CB 0.249 28.968 28.738 -0.032 0.000 1.275 73 Q HN 0.454 nan 8.270 nan 0.000 0.429 74 K N 1.682 122.054 120.400 -0.047 0.000 2.276 74 K HA 0.380 4.700 4.320 0.001 0.000 0.285 74 K C -1.249 175.324 176.600 -0.046 0.000 1.062 74 K CA -0.450 55.805 56.287 -0.054 0.000 0.918 74 K CB 1.367 33.848 32.500 -0.033 0.000 1.055 74 K HN 0.215 nan 8.250 nan 0.000 0.477 75 V N 4.835 124.705 119.914 -0.074 0.000 2.540 75 V HA 0.390 4.511 4.120 0.001 0.000 0.302 75 V C -0.656 175.458 176.094 0.034 0.000 1.035 75 V CA -0.911 61.371 62.300 -0.029 0.000 0.873 75 V CB 1.557 33.347 31.823 -0.054 0.000 0.992 75 V HN 0.627 nan 8.190 nan 0.000 0.428 76 L N 3.094 124.374 121.223 0.096 0.000 2.333 76 L HA 0.479 4.820 4.340 0.001 0.000 0.280 76 L C -0.196 176.773 176.870 0.165 0.000 1.004 76 L CA -0.649 54.272 54.840 0.136 0.000 0.820 76 L CB 1.850 43.956 42.059 0.077 0.000 1.247 76 L HN 0.604 nan 8.230 nan 0.000 0.416 77 D N 1.851 122.371 120.400 0.201 0.000 2.422 77 D HA -0.081 4.559 4.640 0.001 0.000 0.263 77 D C 1.331 177.658 176.300 0.046 0.000 1.334 77 D CA 0.239 54.290 54.000 0.084 0.000 1.105 77 D CB 0.785 41.564 40.800 -0.035 0.000 1.107 77 D HN 0.511 nan 8.370 nan 0.000 0.522 78 S N 2.916 118.644 115.700 0.047 0.000 2.626 78 S HA -0.060 4.410 4.470 0.001 0.000 0.245 78 S C 1.782 176.396 174.600 0.024 0.000 0.973 78 S CA 1.072 59.294 58.200 0.036 0.000 0.959 78 S CB -0.659 62.562 63.200 0.035 0.000 0.762 78 S HN 0.782 nan 8.310 nan 0.000 0.539 79 G N -0.122 108.683 108.800 0.009 0.000 2.328 79 G HA2 -0.123 3.837 3.960 0.001 0.000 0.256 79 G HA3 -0.123 3.837 3.960 0.001 0.000 0.256 79 G C 0.231 175.134 174.900 0.005 0.000 1.014 79 G CA 0.180 45.280 45.100 0.001 0.000 0.620 79 G HN 1.822 nan 8.290 nan 0.000 0.530 80 A N -0.611 122.219 122.820 0.016 0.000 2.589 80 A HA 0.790 5.110 4.320 0.001 0.000 0.296 80 A C -2.789 174.815 177.584 0.034 0.000 1.062 80 A CA -0.548 51.504 52.037 0.024 0.000 0.686 80 A CB 1.044 20.064 19.000 0.033 0.000 1.282 80 A HN 0.187 nan 8.150 nan 0.000 0.404 81 P HA -0.093 nan 4.420 nan 0.000 0.271 81 P C 0.064 177.408 177.300 0.073 0.000 1.179 81 P CA 0.583 63.737 63.100 0.090 0.000 0.766 81 P CB 0.145 31.922 31.700 0.129 0.000 0.789 82 I N 2.259 122.882 120.570 0.088 0.000 2.996 82 I HA -0.172 3.998 4.170 0.001 0.000 0.311 82 I C 1.310 177.411 176.117 -0.027 0.000 1.219 82 I CA 1.227 62.537 61.300 0.017 0.000 1.452 82 I CB -0.038 37.965 38.000 0.005 0.000 1.319 82 I HN 0.275 nan 8.210 nan 0.000 0.564 83 R N 6.658 127.104 120.500 -0.090 0.000 2.686 83 R HA 0.700 5.040 4.340 0.001 0.000 0.286 83 R C -0.763 175.333 176.300 -0.340 0.000 0.969 83 R CA -0.744 55.261 56.100 -0.157 0.000 0.898 83 R CB 2.293 32.531 30.300 -0.104 0.000 1.183 83 R HN 0.562 nan 8.270 nan 0.000 0.456 84 I N -1.641 118.718 120.570 -0.351 0.000 3.002 84 I HA 0.567 4.737 4.170 0.001 0.000 0.310 84 I C -2.380 173.466 176.117 -0.452 0.000 1.087 84 I CA -3.353 57.704 61.300 -0.406 0.000 1.017 84 I CB 2.447 40.330 38.000 -0.195 0.000 1.226 84 I HN 0.310 nan 8.210 nan 0.000 0.443 85 P HA 0.016 nan 4.420 nan 0.000 0.235 85 P C 0.047 177.380 177.300 0.055 0.000 1.670 85 P CA 0.149 63.302 63.100 0.089 0.000 1.017 85 P CB -0.545 31.188 31.700 0.055 0.000 1.945 86 V N 0.833 120.770 119.914 0.039 0.000 2.715 86 V HA 0.726 4.846 4.120 0.001 0.000 0.299 86 V C 0.447 176.350 176.094 -0.318 0.000 1.054 86 V CA 0.866 63.092 62.300 -0.124 0.000 1.077 86 V CB 0.196 31.925 31.823 -0.156 0.000 0.972 86 V HN 0.627 nan 8.190 nan 0.000 0.484 87 G N 4.526 113.076 108.800 -0.417 0.000 2.351 87 G HA2 0.133 4.094 3.960 0.001 0.000 0.353 87 G HA3 0.133 4.094 3.960 0.001 0.000 0.353 87 G C -2.849 172.071 174.900 0.034 0.000 1.358 87 G CA -0.113 44.731 45.100 -0.428 0.000 0.995 87 G HN 0.517 nan 8.290 nan 0.000 0.611 88 P HA 0.067 nan 4.420 nan 0.000 0.225 88 P C 1.226 178.539 177.300 0.022 0.000 1.156 88 P CA 1.287 64.324 63.100 -0.106 0.000 0.787 88 P CB 0.165 31.779 31.700 -0.145 0.000 0.802 89 E N -0.318 119.900 120.200 0.031 0.000 2.365 89 E HA -0.011 4.339 4.350 0.001 0.000 0.188 89 E C 0.702 177.340 176.600 0.063 0.000 1.102 89 E CA 0.827 57.251 56.400 0.041 0.000 0.927 89 E CB -0.953 28.762 29.700 0.025 0.000 1.073 89 E HN 0.316 nan 8.360 nan 0.000 0.467 90 T N -1.966 112.647 114.554 0.098 0.000 3.015 90 T HA 0.153 4.503 4.350 0.001 0.000 0.250 90 T C 1.165 175.911 174.700 0.076 0.000 1.057 90 T CA -0.374 61.773 62.100 0.079 0.000 1.066 90 T CB -0.225 68.682 68.868 0.065 0.000 0.959 90 T HN 0.060 nan 8.240 nan 0.000 0.488 91 L N 1.652 122.937 121.223 0.103 0.000 2.517 91 L HA 0.290 4.631 4.340 0.001 0.000 0.294 91 L C 2.028 178.949 176.870 0.085 0.000 1.264 91 L CA 0.904 55.804 54.840 0.100 0.000 0.839 91 L CB -0.460 41.671 42.059 0.119 0.000 1.098 91 L HN 0.539 nan 8.230 nan 0.000 0.525 92 G N 0.799 109.650 108.800 0.085 0.000 2.230 92 G HA2 -0.294 3.666 3.960 0.001 0.000 0.270 92 G HA3 -0.294 3.666 3.960 0.001 0.000 0.270 92 G C 0.469 175.440 174.900 0.119 0.000 0.987 92 G CA 0.350 45.495 45.100 0.076 0.000 0.664 92 G HN 0.512 nan 8.290 nan 0.000 0.539 93 R N -0.213 120.346 120.500 0.098 0.000 2.460 93 R HA 0.552 4.892 4.340 0.001 0.000 0.303 93 R C 0.204 176.530 176.300 0.043 0.000 0.968 93 R CA -1.003 55.145 56.100 0.079 0.000 0.889 93 R CB 0.977 31.308 30.300 0.051 0.000 1.123 93 R HN 0.250 nan 8.270 nan 0.000 0.455 94 I N 4.236 124.794 120.570 -0.019 0.000 2.281 94 I HA 0.137 4.307 4.170 0.001 0.000 0.293 94 I C 1.113 177.189 176.117 -0.069 0.000 1.085 94 I CA 0.034 61.265 61.300 -0.114 0.000 1.257 94 I CB 0.594 38.397 38.000 -0.328 0.000 1.430 94 I HN 0.383 nan 8.210 nan 0.000 0.489 95 M N 6.123 125.712 119.600 -0.019 0.000 1.928 95 M HA 0.311 4.791 4.480 0.001 0.000 0.181 95 M C 0.209 176.510 176.300 0.002 0.000 1.134 95 M CA 0.174 55.468 55.300 -0.011 0.000 1.127 95 M CB 0.803 33.399 32.600 -0.006 0.000 1.067 95 M HN 0.757 nan 8.290 nan 0.000 0.595 96 N N -3.187 115.512 118.700 -0.001 0.000 3.261 96 N HA 0.156 4.896 4.740 0.001 0.000 0.248 96 N C 0.116 175.620 175.510 -0.009 0.000 1.498 96 N CA -0.770 52.287 53.050 0.013 0.000 0.884 96 N CB 0.906 39.396 38.487 0.005 0.000 1.428 96 N HN 0.269 nan 8.380 nan 0.000 0.517 97 V N 0.068 119.981 119.914 -0.003 0.000 2.319 97 V HA -0.330 3.791 4.120 0.001 0.000 0.264 97 V C 1.834 177.905 176.094 -0.038 0.000 1.107 97 V CA 2.723 65.013 62.300 -0.017 0.000 1.101 97 V CB -1.225 30.595 31.823 -0.005 0.000 0.704 97 V HN 0.751 nan 8.190 nan 0.000 0.454 98 I N -3.807 116.737 120.570 -0.043 0.000 4.147 98 I HA 0.664 4.834 4.170 0.001 0.000 0.329 98 I C 1.296 177.353 176.117 -0.100 0.000 1.424 98 I CA 0.716 61.977 61.300 -0.065 0.000 1.127 98 I CB 0.742 38.715 38.000 -0.046 0.000 1.128 98 I HN 0.372 nan 8.210 nan 0.000 0.417 99 G N 1.756 110.501 108.800 -0.092 0.000 2.493 99 G HA2 -0.229 3.731 3.960 0.001 0.000 0.206 99 G HA3 -0.229 3.731 3.960 0.001 0.000 0.206 99 G C 0.063 174.920 174.900 -0.071 0.000 1.109 99 G CA -0.210 44.821 45.100 -0.116 0.000 0.689 99 G HN 0.503 nan 8.290 nan 0.000 0.516 100 E N 2.880 123.045 120.200 -0.059 0.000 2.900 100 E HA 0.210 4.560 4.350 0.001 0.000 0.259 100 E C -2.264 174.318 176.600 -0.029 0.000 0.918 100 E CA -0.204 56.175 56.400 -0.035 0.000 0.960 100 E CB 0.427 30.110 29.700 -0.028 0.000 0.908 100 E HN 0.294 nan 8.360 nan 0.000 0.511 101 P HA 0.076 nan 4.420 nan 0.000 0.275 101 P C -0.107 177.171 177.300 -0.038 0.000 1.228 101 P CA 0.088 63.173 63.100 -0.024 0.000 0.786 101 P CB 0.453 32.147 31.700 -0.009 0.000 0.927 102 I N -1.078 119.454 120.570 -0.063 0.000 2.814 102 I HA 0.295 4.465 4.170 0.001 0.000 0.329 102 I C -0.511 175.525 176.117 -0.135 0.000 1.451 102 I CA -0.380 60.870 61.300 -0.083 0.000 0.830 102 I CB 0.633 38.585 38.000 -0.080 0.000 1.945 102 I HN 0.092 nan 8.210 nan 0.000 0.572 103 D N 0.282 120.615 120.400 -0.111 0.000 2.469 103 D HA 0.084 4.725 4.640 0.001 0.000 0.213 103 D C -0.028 176.246 176.300 -0.042 0.000 1.135 103 D CA -0.213 53.714 54.000 -0.122 0.000 0.834 103 D CB 0.208 40.959 40.800 -0.083 0.000 1.009 103 D HN 0.473 nan 8.370 nan 0.000 0.507 104 E N 0.390 120.570 120.200 -0.034 0.000 2.807 104 E HA -0.199 4.151 4.350 0.001 0.000 0.169 104 E C -0.365 176.237 176.600 0.003 0.000 1.548 104 E CA 0.176 56.568 56.400 -0.014 0.000 0.697 104 E CB -0.958 28.735 29.700 -0.012 0.000 1.106 104 E HN 0.338 nan 8.360 nan 0.000 0.382 105 R N 0.601 121.104 120.500 0.005 0.000 2.493 105 R HA 0.236 4.577 4.340 0.001 0.000 0.404 105 R C 0.238 176.546 176.300 0.014 0.000 0.834 105 R CA 0.021 56.130 56.100 0.014 0.000 1.056 105 R CB 1.314 31.629 30.300 0.026 0.000 1.620 105 R HN 0.530 nan 8.270 nan 0.000 0.570 106 G N 2.829 111.635 108.800 0.009 0.000 3.051 106 G HA2 -0.214 3.746 3.960 0.001 0.000 0.686 106 G HA3 -0.214 3.746 3.960 0.001 0.000 0.686 106 G C -2.159 172.752 174.900 0.018 0.000 1.461 106 G CA -1.127 43.980 45.100 0.012 0.000 1.129 106 G HN -0.005 nan 8.290 nan 0.000 0.601 107 P HA -0.108 nan 4.420 nan 0.000 0.268 107 P C 0.821 178.146 177.300 0.040 0.000 1.134 107 P CA 0.258 63.378 63.100 0.034 0.000 0.749 107 P CB 0.246 31.970 31.700 0.040 0.000 0.731 108 I N 3.452 124.053 120.570 0.052 0.000 2.533 108 I HA -0.022 4.149 4.170 0.001 0.000 0.284 108 I C 1.056 177.221 176.117 0.080 0.000 1.109 108 I CA 0.241 61.578 61.300 0.061 0.000 1.412 108 I CB 0.100 38.140 38.000 0.066 0.000 1.396 108 I HN 0.278 nan 8.210 nan 0.000 0.543 109 K N 4.547 124.977 120.400 0.051 0.000 2.296 109 K HA 0.385 4.705 4.320 0.001 0.000 0.257 109 K C -0.144 176.456 176.600 0.000 0.000 1.088 109 K CA -0.283 56.020 56.287 0.027 0.000 0.980 109 K CB 0.947 33.456 32.500 0.014 0.000 1.430 109 K HN 0.534 nan 8.250 nan 0.000 0.441 110 T N 0.825 115.362 114.554 -0.028 0.000 2.894 110 T HA 0.270 4.620 4.350 0.001 0.000 0.309 110 T C -1.097 173.419 174.700 -0.307 0.000 1.208 110 T CA -0.966 61.066 62.100 -0.115 0.000 1.016 110 T CB 0.907 69.728 68.868 -0.077 0.000 1.192 110 T HN 0.630 nan 8.240 nan 0.000 0.491 111 K N 2.801 123.028 120.400 -0.288 0.000 2.832 111 K HA 0.386 4.707 4.320 0.001 0.000 0.211 111 K C -0.117 176.264 176.600 -0.365 0.000 1.112 111 K CA -0.603 55.455 56.287 -0.382 0.000 1.108 111 K CB 0.119 32.488 32.500 -0.217 0.000 0.899 111 K HN 0.541 nan 8.250 nan 0.000 0.464 112 Q N 0.901 120.456 119.800 -0.409 0.000 2.292 112 Q HA 0.404 4.744 4.340 0.001 0.000 0.270 112 Q C -1.380 174.556 176.000 -0.106 0.000 1.024 112 Q CA -0.682 54.988 55.803 -0.222 0.000 0.768 112 Q CB 1.212 29.890 28.738 -0.099 0.000 1.250 112 Q HN 0.193 nan 8.270 nan 0.000 0.447 113 F N 0.697 120.622 119.950 -0.042 0.000 2.556 113 F HA 0.803 5.331 4.527 0.001 0.000 0.314 113 F C -0.495 175.299 175.800 -0.011 0.000 1.106 113 F CA -1.287 56.689 58.000 -0.039 0.000 0.911 113 F CB 2.570 41.557 39.000 -0.021 0.000 1.190 113 F HN 0.754 nan 8.300 nan 0.000 0.448 114 A N 1.983 124.908 122.820 0.175 0.000 2.414 114 A HA 0.817 5.137 4.320 0.001 0.000 0.306 114 A C -0.861 176.747 177.584 0.039 0.000 1.054 114 A CA -0.680 51.419 52.037 0.103 0.000 0.724 114 A CB 1.304 20.369 19.000 0.109 0.000 1.267 114 A HN 0.890 nan 8.150 nan 0.000 0.418 115 A N 1.358 124.205 122.820 0.045 0.000 2.498 115 A HA 0.434 4.755 4.320 0.001 0.000 0.239 115 A C 1.071 178.649 177.584 -0.011 0.000 1.068 115 A CA 0.265 52.317 52.037 0.026 0.000 0.766 115 A CB -0.345 18.694 19.000 0.065 0.000 1.003 115 A HN 1.524 nan 8.150 nan 0.000 0.497 116 I N -0.971 119.548 120.570 -0.086 0.000 3.428 116 I HA 0.074 4.245 4.170 0.001 0.000 0.286 116 I C 0.014 175.965 176.117 -0.278 0.000 1.287 116 I CA 0.361 61.547 61.300 -0.190 0.000 1.396 116 I CB -0.327 37.513 38.000 -0.266 0.000 1.062 116 I HN 0.511 nan 8.210 nan 0.000 0.471 117 H N 3.117 122.185 119.070 -0.002 0.000 2.702 117 H HA 0.630 5.186 4.556 0.001 0.000 0.252 117 H C 0.210 175.542 175.328 0.007 0.000 1.493 117 H CA -0.307 55.742 56.048 0.001 0.000 1.273 117 H CB 0.548 30.313 29.762 0.004 0.000 1.537 117 H HN 0.380 nan 8.280 nan 0.000 0.547 118 A N 2.591 125.458 122.820 0.078 0.000 2.242 118 A HA 0.337 4.657 4.320 0.001 0.000 0.304 118 A C 0.776 178.396 177.584 0.060 0.000 1.100 118 A CA -0.651 51.423 52.037 0.062 0.000 0.860 118 A CB 1.220 20.244 19.000 0.039 0.000 1.168 118 A HN 0.452 nan 8.150 nan 0.000 0.503 119 E N -0.775 119.454 120.200 0.048 0.000 3.601 119 E HA 0.572 4.923 4.350 0.001 0.000 0.273 119 E C -0.178 176.445 176.600 0.038 0.000 1.368 119 E CA -0.113 56.313 56.400 0.042 0.000 1.286 119 E CB 0.589 30.312 29.700 0.038 0.000 1.383 119 E HN 0.755 nan 8.360 nan 0.000 0.746 120 A N 0.691 123.535 122.820 0.039 0.000 2.371 120 A HA 0.505 4.825 4.320 0.001 0.000 0.311 120 A C -2.474 175.136 177.584 0.044 0.000 1.068 120 A CA -1.621 50.439 52.037 0.039 0.000 0.744 120 A CB 0.715 19.740 19.000 0.042 0.000 1.239 120 A HN 0.226 nan 8.150 nan 0.000 0.435 121 P HA -0.094 nan 4.420 nan 0.000 0.241 121 P C 0.176 177.513 177.300 0.062 0.000 1.093 121 P CA 0.899 64.024 63.100 0.043 0.000 0.843 121 P CB 0.108 31.830 31.700 0.036 0.000 0.760 122 E N 2.161 122.400 120.200 0.065 0.000 2.455 122 E HA -0.112 4.239 4.350 0.001 0.000 0.259 122 E C 0.924 177.613 176.600 0.149 0.000 1.245 122 E CA -0.127 56.332 56.400 0.099 0.000 1.013 122 E CB 0.130 29.879 29.700 0.082 0.000 0.978 122 E HN 0.279 nan 8.360 nan 0.000 0.479 123 F N 1.573 121.528 119.950 0.008 0.000 2.126 123 F HA -0.195 4.332 4.527 0.001 0.000 0.299 123 F C 1.992 177.795 175.800 0.006 0.000 1.096 123 F CA 1.724 59.728 58.000 0.006 0.000 1.255 123 F CB -0.590 38.413 39.000 0.005 0.000 0.997 123 F HN 0.230 nan 8.300 nan 0.000 0.479 124 V N -1.755 118.112 119.914 -0.078 0.000 2.970 124 V HA -0.125 3.996 4.120 0.001 0.000 0.260 124 V C 1.473 177.467 176.094 -0.166 0.000 1.100 124 V CA 1.683 63.856 62.300 -0.212 0.000 1.122 124 V CB -1.137 30.645 31.823 -0.070 0.000 0.721 124 V HN 0.388 nan 8.190 nan 0.000 0.483 125 E N -0.039 120.106 120.200 -0.092 0.000 2.489 125 E HA 0.179 4.529 4.350 0.001 0.000 0.193 125 E C 0.440 176.997 176.600 -0.072 0.000 1.057 125 E CA -0.260 56.103 56.400 -0.062 0.000 0.866 125 E CB 0.030 29.720 29.700 -0.017 0.000 0.916 125 E HN 0.425 nan 8.360 nan 0.000 0.500 126 M N 1.427 120.954 119.600 -0.122 0.000 2.217 126 M HA 0.075 4.555 4.480 0.001 0.000 0.352 126 M C 0.292 176.539 176.300 -0.088 0.000 1.376 126 M CA -0.006 55.241 55.300 -0.087 0.000 1.107 126 M CB 0.921 33.468 32.600 -0.088 0.000 1.723 126 M HN -0.153 nan 8.290 nan 0.000 0.461 127 S N 2.760 118.434 115.700 -0.044 0.000 2.499 127 S HA 0.433 4.903 4.470 0.001 0.000 0.279 127 S C 0.678 175.264 174.600 -0.024 0.000 1.219 127 S CA -0.870 57.308 58.200 -0.036 0.000 1.062 127 S CB 0.487 63.675 63.200 -0.019 0.000 0.978 127 S HN 0.526 nan 8.310 nan 0.000 0.489 128 V N 1.967 121.865 119.914 -0.027 0.000 3.444 128 V HA 0.422 4.543 4.120 0.001 0.000 0.308 128 V C 0.311 176.403 176.094 -0.003 0.000 1.371 128 V CA -0.358 61.934 62.300 -0.013 0.000 1.141 128 V CB -0.639 31.173 31.823 -0.019 0.000 1.037 128 V HN 0.669 nan 8.190 nan 0.000 0.433 129 E N 3.388 123.587 120.200 -0.003 0.000 2.200 129 E HA 0.427 4.777 4.350 0.001 0.000 0.283 129 E C -0.359 176.248 176.600 0.012 0.000 1.015 129 E CA 0.045 56.447 56.400 0.004 0.000 0.819 129 E CB 1.537 31.238 29.700 0.003 0.000 1.081 129 E HN 0.789 nan 8.360 nan 0.000 0.397 130 Q N 1.599 121.409 119.800 0.017 0.000 2.292 130 Q HA 0.483 4.823 4.340 0.001 0.000 0.270 130 Q C -0.826 175.193 176.000 0.031 0.000 1.024 130 Q CA -0.825 54.994 55.803 0.026 0.000 0.768 130 Q CB 1.910 30.665 28.738 0.028 0.000 1.250 130 Q HN 0.465 nan 8.270 nan 0.000 0.447 131 E N 2.694 122.918 120.200 0.039 0.000 2.317 131 E HA 0.454 4.805 4.350 0.001 0.000 0.270 131 E C -0.926 175.710 176.600 0.059 0.000 0.885 131 E CA -1.172 55.255 56.400 0.045 0.000 0.760 131 E CB 2.181 31.905 29.700 0.040 0.000 1.227 131 E HN 0.744 nan 8.360 nan 0.000 0.434 132 I N 3.433 124.042 120.570 0.066 0.000 2.578 132 I HA 0.026 4.196 4.170 0.001 0.000 0.286 132 I C -0.715 175.452 176.117 0.084 0.000 1.126 132 I CA -0.663 60.685 61.300 0.081 0.000 1.380 132 I CB 0.249 38.306 38.000 0.094 0.000 1.408 132 I HN 0.551 nan 8.210 nan 0.000 0.532 133 L N 9.662 130.944 121.223 0.098 0.000 2.342 133 L HA 0.351 4.692 4.340 0.001 0.000 0.285 133 L C -0.515 176.413 176.870 0.097 0.000 1.095 133 L CA 0.012 54.914 54.840 0.104 0.000 0.843 133 L CB 0.714 42.847 42.059 0.122 0.000 1.201 133 L HN 0.417 nan 8.230 nan 0.000 0.445 134 V N 4.812 124.771 119.914 0.075 0.000 2.686 134 V HA 0.261 4.381 4.120 0.001 0.000 0.295 134 V C 1.438 177.565 176.094 0.055 0.000 1.055 134 V CA 0.476 62.806 62.300 0.051 0.000 1.050 134 V CB 0.893 32.742 31.823 0.043 0.000 0.984 134 V HN 0.942 nan 8.190 nan 0.000 0.482 135 T N -0.745 113.825 114.554 0.027 0.000 2.975 135 T HA 0.307 4.658 4.350 0.001 0.000 0.257 135 T C 1.418 176.128 174.700 0.016 0.000 1.003 135 T CA 0.896 63.021 62.100 0.041 0.000 0.932 135 T CB 0.532 69.425 68.868 0.042 0.000 1.087 135 T HN 1.570 nan 8.240 nan 0.000 0.512 136 G N 1.977 110.783 108.800 0.010 0.000 2.212 136 G HA2 -0.229 3.732 3.960 0.001 0.000 0.266 136 G HA3 -0.229 3.732 3.960 0.001 0.000 0.266 136 G C 0.102 175.015 174.900 0.021 0.000 0.978 136 G CA 0.270 45.378 45.100 0.013 0.000 0.632 136 G HN 0.695 nan 8.290 nan 0.000 0.537 137 I N 1.341 121.925 120.570 0.023 0.000 2.379 137 I HA 0.161 4.331 4.170 0.001 0.000 0.290 137 I C 1.734 177.879 176.117 0.047 0.000 1.063 137 I CA -0.348 61.004 61.300 0.087 0.000 1.351 137 I CB 1.021 39.114 38.000 0.156 0.000 1.410 137 I HN 0.045 nan 8.210 nan 0.000 0.505 138 K N 4.135 124.567 120.400 0.053 0.000 2.020 138 K HA -0.203 4.118 4.320 0.001 0.000 0.212 138 K C 1.929 178.514 176.600 -0.024 0.000 1.050 138 K CA 1.608 57.909 56.287 0.023 0.000 0.929 138 K CB -0.181 32.331 32.500 0.020 0.000 0.714 138 K HN 0.639 nan 8.250 nan 0.000 0.443 139 V N 1.234 121.141 119.914 -0.011 0.000 2.282 139 V HA -0.243 3.878 4.120 0.001 0.000 0.249 139 V C 2.041 178.089 176.094 -0.077 0.000 1.057 139 V CA 1.935 64.203 62.300 -0.053 0.000 1.032 139 V CB -0.192 31.628 31.823 -0.005 0.000 0.645 139 V HN 0.161 nan 8.190 nan 0.000 0.447 140 V N 0.592 120.461 119.914 -0.075 0.000 2.295 140 V HA -0.192 3.928 4.120 0.001 0.000 0.246 140 V C 2.454 178.440 176.094 -0.179 0.000 1.049 140 V CA 2.405 64.597 62.300 -0.181 0.000 1.024 140 V CB -1.001 30.607 31.823 -0.358 0.000 0.648 140 V HN 0.566 nan 8.190 nan 0.000 0.447 141 D N -0.061 120.266 120.400 -0.121 0.000 2.123 141 D HA -0.097 4.543 4.640 0.001 0.000 0.200 141 D C 1.994 178.318 176.300 0.040 0.000 0.976 141 D CA 0.998 54.968 54.000 -0.050 0.000 0.831 141 D CB -0.252 40.524 40.800 -0.041 0.000 0.974 141 D HN 0.336 nan 8.370 nan 0.000 0.469 142 L N 0.502 121.700 121.223 -0.042 0.000 1.976 142 L HA -0.093 4.248 4.340 0.001 0.000 0.209 142 L C 1.992 178.880 176.870 0.030 0.000 1.071 142 L CA 1.710 56.518 54.840 -0.053 0.000 0.746 142 L CB -0.500 41.354 42.059 -0.342 0.000 0.890 142 L HN -0.004 nan 8.230 nan 0.000 0.432 143 L N -1.362 119.809 121.223 -0.086 0.000 2.463 143 L HA 0.309 4.650 4.340 0.001 0.000 0.219 143 L C 0.755 177.581 176.870 -0.074 0.000 1.088 143 L CA 0.532 55.311 54.840 -0.102 0.000 0.849 143 L CB -0.120 41.863 42.059 -0.127 0.000 1.012 143 L HN 0.348 nan 8.230 nan 0.000 0.468 144 A N -0.110 122.674 122.820 -0.060 0.000 3.455 144 A HA 0.430 4.751 4.320 0.001 0.000 0.225 144 A C -2.644 174.900 177.584 -0.067 0.000 1.052 144 A CA -0.688 51.326 52.037 -0.038 0.000 1.005 144 A CB -0.246 18.756 19.000 0.004 0.000 1.318 144 A HN -0.126 nan 8.150 nan 0.000 0.639 145 P HA 0.063 nan 4.420 nan 0.000 0.265 145 P C -0.321 176.982 177.300 0.006 0.000 1.187 145 P CA 0.784 63.840 63.100 -0.074 0.000 0.766 145 P CB 0.070 31.796 31.700 0.043 0.000 0.820 146 Y N 0.541 120.873 120.300 0.054 0.000 2.299 146 Y HA 0.414 4.964 4.550 0.001 0.000 0.335 146 Y C 1.061 176.981 175.900 0.033 0.000 1.287 146 Y CA -1.225 56.898 58.100 0.038 0.000 1.424 146 Y CB 0.686 39.163 38.460 0.028 0.000 1.326 146 Y HN 0.302 nan 8.280 nan 0.000 0.567 147 A N 2.294 125.232 122.820 0.197 0.000 2.318 147 A HA 0.347 4.667 4.320 0.001 0.000 0.317 147 A C -0.749 176.878 177.584 0.073 0.000 1.159 147 A CA -1.085 51.017 52.037 0.110 0.000 0.799 147 A CB 0.432 19.480 19.000 0.080 0.000 1.194 147 A HN 0.771 nan 8.150 nan 0.000 0.479 148 K N 1.381 121.821 120.400 0.068 0.000 2.401 148 K HA 0.123 4.443 4.320 0.001 0.000 0.267 148 K C 1.109 177.724 176.600 0.025 0.000 1.140 148 K CA 1.515 57.830 56.287 0.047 0.000 1.199 148 K CB -0.166 32.368 32.500 0.056 0.000 0.822 148 K HN 1.641 nan 8.250 nan 0.000 0.488 149 G N 1.924 110.723 108.800 -0.002 0.000 2.149 149 G HA2 -0.205 3.755 3.960 0.001 0.000 0.235 149 G HA3 -0.205 3.755 3.960 0.001 0.000 0.235 149 G C 0.219 175.106 174.900 -0.022 0.000 1.018 149 G CA -0.263 44.828 45.100 -0.015 0.000 0.728 149 G HN 0.864 nan 8.290 nan 0.000 0.508 150 G N -0.842 107.939 108.800 -0.032 0.000 2.473 150 G HA2 0.624 4.584 3.960 0.001 0.000 0.321 150 G HA3 0.624 4.584 3.960 0.001 0.000 0.321 150 G C -0.292 174.566 174.900 -0.069 0.000 1.200 150 G CA -0.892 44.191 45.100 -0.028 0.000 0.963 150 G HN 0.315 nan 8.290 nan 0.000 0.483 151 K N 0.620 120.990 120.400 -0.049 0.000 2.382 151 K HA 0.261 4.581 4.320 0.001 0.000 0.286 151 K C -0.223 176.327 176.600 -0.084 0.000 1.062 151 K CA 0.339 56.584 56.287 -0.071 0.000 1.000 151 K CB 0.260 32.749 32.500 -0.019 0.000 0.954 151 K HN 0.275 nan 8.250 nan 0.000 0.470 152 I N 1.758 122.218 120.570 -0.183 0.000 2.493 152 I HA 0.401 4.571 4.170 0.001 0.000 0.298 152 I C 0.489 176.475 176.117 -0.218 0.000 0.998 152 I CA -0.789 60.361 61.300 -0.250 0.000 1.137 152 I CB 2.179 39.820 38.000 -0.598 0.000 1.310 152 I HN 0.580 nan 8.210 nan 0.000 0.445 153 G N 5.875 114.595 108.800 -0.133 0.000 2.566 153 G HA2 0.669 4.630 3.960 0.001 0.000 0.311 153 G HA3 0.669 4.630 3.960 0.001 0.000 0.311 153 G C -1.118 173.699 174.900 -0.137 0.000 1.322 153 G CA -0.476 44.506 45.100 -0.196 0.000 0.969 153 G HN 0.425 nan 8.290 nan 0.000 0.490 154 L N 2.519 123.600 121.223 -0.236 0.000 2.297 154 L HA 0.393 4.734 4.340 0.001 0.000 0.277 154 L C -0.700 176.065 176.870 -0.176 0.000 1.040 154 L CA -0.559 54.232 54.840 -0.082 0.000 0.867 154 L CB 0.629 42.677 42.059 -0.018 0.000 1.244 154 L HN 0.367 nan 8.230 nan 0.000 0.433 155 F N 1.380 121.331 119.950 0.002 0.000 2.399 155 F HA 0.639 5.166 4.527 0.001 0.000 0.342 155 F C 1.034 176.838 175.800 0.006 0.000 1.106 155 F CA -0.086 57.898 58.000 -0.027 0.000 1.196 155 F CB 1.772 40.759 39.000 -0.021 0.000 1.163 155 F HN 0.381 nan 8.300 nan 0.000 0.547 156 G N 1.197 110.082 108.800 0.142 0.000 2.716 156 G HA2 0.484 4.444 3.960 0.001 0.000 0.299 156 G HA3 0.484 4.444 3.960 0.001 0.000 0.299 156 G C -0.811 174.106 174.900 0.028 0.000 1.450 156 G CA -0.483 44.671 45.100 0.089 0.000 0.968 156 G HN 0.935 nan 8.290 nan 0.000 0.566 157 G N -0.306 108.499 108.800 0.009 0.000 2.588 157 G HA2 0.698 4.658 3.960 0.001 0.000 0.281 157 G HA3 0.698 4.658 3.960 0.001 0.000 0.281 157 G C 0.593 175.579 174.900 0.143 0.000 1.236 157 G CA 0.291 45.373 45.100 -0.030 0.000 0.969 157 G HN 1.596 nan 8.290 nan 0.000 0.504 158 A N -1.244 121.734 122.820 0.264 0.000 2.454 158 A HA 0.550 4.871 4.320 0.001 0.000 0.260 158 A C 1.348 179.003 177.584 0.118 0.000 1.106 158 A CA 0.905 53.088 52.037 0.243 0.000 0.780 158 A CB -0.348 18.795 19.000 0.239 0.000 1.044 158 A HN 2.504 nan 8.150 nan 0.000 0.498 159 G N 0.785 109.638 108.800 0.088 0.000 2.131 159 G HA2 -0.143 3.817 3.960 0.001 0.000 0.223 159 G HA3 -0.143 3.817 3.960 0.001 0.000 0.223 159 G C 0.636 175.586 174.900 0.082 0.000 0.990 159 G CA 0.697 45.833 45.100 0.060 0.000 0.671 159 G HN 2.106 nan 8.290 nan 0.000 0.521 160 V N -2.796 117.175 119.914 0.095 0.000 3.650 160 V HA 0.651 4.772 4.120 0.001 0.000 0.271 160 V C 1.663 177.858 176.094 0.167 0.000 1.281 160 V CA 1.166 63.535 62.300 0.116 0.000 1.120 160 V CB 0.233 32.095 31.823 0.066 0.000 0.856 160 V HN 2.163 nan 8.190 nan 0.000 0.443 161 G N 0.446 109.318 108.800 0.120 0.000 2.145 161 G HA2 -0.199 3.761 3.960 0.001 0.000 0.145 161 G HA3 -0.199 3.761 3.960 0.001 0.000 0.145 161 G C 0.615 175.578 174.900 0.104 0.000 1.017 161 G CA 0.316 45.475 45.100 0.098 0.000 0.682 161 G HN 0.406 nan 8.290 nan 0.000 0.504 162 K N -0.392 120.065 120.400 0.095 0.000 1.985 162 K HA -0.062 4.258 4.320 0.001 0.000 0.210 162 K C 2.625 179.285 176.600 0.099 0.000 1.047 162 K CA 2.040 58.384 56.287 0.095 0.000 0.932 162 K CB -0.188 32.358 32.500 0.076 0.000 0.716 162 K HN 0.310 nan 8.250 nan 0.000 0.439 163 T N 0.872 115.479 114.554 0.088 0.000 2.737 163 T HA -0.103 4.248 4.350 0.001 0.000 0.265 163 T C 1.910 176.691 174.700 0.135 0.000 1.038 163 T CA 1.298 63.459 62.100 0.102 0.000 1.144 163 T CB -0.140 68.785 68.868 0.095 0.000 0.866 163 T HN -0.037 nan 8.240 nan 0.000 0.434 164 V N 1.960 121.952 119.914 0.131 0.000 2.324 164 V HA -0.169 3.952 4.120 0.001 0.000 0.250 164 V C 2.428 178.690 176.094 0.280 0.000 1.060 164 V CA 1.516 63.927 62.300 0.186 0.000 1.042 164 V CB -0.870 31.034 31.823 0.134 0.000 0.650 164 V HN 0.333 nan 8.190 nan 0.000 0.450 165 L N 0.084 121.484 121.223 0.295 0.000 1.990 165 L HA -0.194 4.146 4.340 0.001 0.000 0.213 165 L C 2.195 179.223 176.870 0.262 0.000 1.072 165 L CA 2.013 57.101 54.840 0.413 0.000 0.755 165 L CB -0.634 41.620 42.059 0.326 0.000 0.889 165 L HN 0.265 nan 8.230 nan 0.000 0.432 166 I N -1.120 119.559 120.570 0.182 0.000 2.567 166 I HA -0.294 3.876 4.170 0.001 0.000 0.257 166 I C 2.062 178.224 176.117 0.076 0.000 1.184 166 I CA 0.748 62.126 61.300 0.130 0.000 1.451 166 I CB 0.052 38.100 38.000 0.080 0.000 1.089 166 I HN 0.387 nan 8.210 nan 0.000 0.441 167 M N -0.155 119.508 119.600 0.106 0.000 2.074 167 M HA -0.214 4.266 4.480 0.001 0.000 0.258 167 M C 2.148 178.451 176.300 0.005 0.000 1.083 167 M CA 1.569 56.910 55.300 0.067 0.000 1.128 167 M CB -1.547 31.119 32.600 0.111 0.000 1.301 167 M HN 0.054 nan 8.290 nan 0.000 0.417 168 E N 0.846 121.044 120.200 -0.002 0.000 2.339 168 E HA -0.147 4.203 4.350 0.001 0.000 0.201 168 E C 1.879 178.375 176.600 -0.173 0.000 1.015 168 E CA 0.942 57.220 56.400 -0.203 0.000 0.841 168 E CB -0.282 29.003 29.700 -0.691 0.000 0.754 168 E HN 0.461 nan 8.360 nan 0.000 0.508 169 L N -0.590 120.615 121.223 -0.030 0.000 2.084 169 L HA 0.000 4.340 4.340 0.001 0.000 0.202 169 L C 2.287 179.188 176.870 0.051 0.000 1.074 169 L CA 0.777 55.659 54.840 0.071 0.000 0.757 169 L CB -0.228 41.960 42.059 0.215 0.000 0.918 169 L HN 0.203 nan 8.230 nan 0.000 0.444 170 I N 0.236 120.739 120.570 -0.111 0.000 2.567 170 I HA -0.294 3.877 4.170 0.001 0.000 0.257 170 I C 2.097 178.158 176.117 -0.094 0.000 1.184 170 I CA 1.024 62.154 61.300 -0.283 0.000 1.451 170 I CB -0.202 37.467 38.000 -0.552 0.000 1.089 170 I HN 0.361 nan 8.210 nan 0.000 0.441 171 N N 0.805 119.468 118.700 -0.062 0.000 2.092 171 N HA -0.150 4.591 4.740 0.001 0.000 0.189 171 N C 1.550 177.051 175.510 -0.014 0.000 1.040 171 N CA 1.529 54.557 53.050 -0.037 0.000 0.845 171 N CB 0.060 38.517 38.487 -0.049 0.000 1.017 171 N HN 0.161 nan 8.380 nan 0.000 0.426 172 N N 0.030 118.716 118.700 -0.023 0.000 2.093 172 N HA -0.088 4.652 4.740 0.001 0.000 0.191 172 N C 1.821 177.364 175.510 0.054 0.000 1.062 172 N CA 1.183 54.234 53.050 0.001 0.000 0.854 172 N CB -1.046 37.424 38.487 -0.028 0.000 1.043 172 N HN -0.001 nan 8.380 nan 0.000 0.438 173 V N 1.308 121.274 119.914 0.086 0.000 2.370 173 V HA -0.217 3.904 4.120 0.001 0.000 0.252 173 V C 1.964 178.142 176.094 0.140 0.000 1.068 173 V CA 2.078 64.452 62.300 0.124 0.000 1.061 173 V CB -0.937 30.980 31.823 0.156 0.000 0.656 173 V HN 0.464 nan 8.190 nan 0.000 0.455 174 A N -1.311 121.601 122.820 0.153 0.000 2.275 174 A HA 0.038 4.358 4.320 0.001 0.000 0.212 174 A C 2.194 179.875 177.584 0.161 0.000 1.201 174 A CA 0.901 53.042 52.037 0.173 0.000 0.843 174 A CB -0.137 18.978 19.000 0.191 0.000 0.873 174 A HN 0.549 nan 8.150 nan 0.000 0.492 175 K N -0.014 120.457 120.400 0.118 0.000 2.108 175 K HA 0.217 4.538 4.320 0.001 0.000 0.204 175 K C 1.403 178.064 176.600 0.102 0.000 1.036 175 K CA 0.859 57.201 56.287 0.092 0.000 0.965 175 K CB -0.168 32.362 32.500 0.051 0.000 0.804 175 K HN 0.210 nan 8.250 nan 0.000 0.454 176 A N 1.652 124.532 122.820 0.101 0.000 2.233 176 A HA -0.013 4.308 4.320 0.001 0.000 0.230 176 A C -0.607 177.059 177.584 0.137 0.000 1.347 176 A CA 0.202 52.294 52.037 0.091 0.000 1.087 176 A CB -0.966 18.078 19.000 0.073 0.000 0.871 176 A HN 0.518 nan 8.150 nan 0.000 0.519 177 H N -1.996 117.100 119.070 0.044 0.000 2.609 177 H HA 0.512 5.068 4.556 0.001 0.000 0.344 177 H C 0.915 176.256 175.328 0.021 0.000 1.040 177 H CA 0.174 56.247 56.048 0.042 0.000 1.216 177 H CB 1.478 31.285 29.762 0.074 0.000 1.529 177 H HN 0.037 nan 8.280 nan 0.000 0.519 178 G N 2.822 111.385 108.800 -0.395 0.000 3.434 178 G HA2 0.285 4.245 3.960 0.001 0.000 0.258 178 G HA3 0.285 4.245 3.960 0.001 0.000 0.258 178 G C 0.574 175.260 174.900 -0.357 0.000 1.128 178 G CA 0.283 45.221 45.100 -0.271 0.000 0.792 178 G HN 0.739 nan 8.290 nan 0.000 0.539 179 G N -0.684 107.842 108.800 -0.457 0.000 2.736 179 G HA2 0.545 4.505 3.960 0.001 0.000 0.229 179 G HA3 0.545 4.505 3.960 0.001 0.000 0.229 179 G C -1.155 173.749 174.900 0.006 0.000 1.380 179 G CA -1.026 43.931 45.100 -0.238 0.000 1.040 179 G HN 0.165 nan 8.290 nan 0.000 0.568 180 Y N -0.077 120.427 120.300 0.340 0.000 2.360 180 Y HA 0.500 5.050 4.550 0.001 0.000 0.337 180 Y C 0.361 176.425 175.900 0.273 0.000 1.039 180 Y CA -0.667 57.645 58.100 0.354 0.000 1.109 180 Y CB 2.242 41.051 38.460 0.581 0.000 1.201 180 Y HN 0.299 nan 8.280 nan 0.000 0.458 181 S N 2.236 118.178 115.700 0.405 0.000 2.503 181 S HA 0.631 5.101 4.470 0.001 0.000 0.301 181 S C -0.941 173.787 174.600 0.213 0.000 1.087 181 S CA -0.871 57.510 58.200 0.302 0.000 1.042 181 S CB 1.894 65.308 63.200 0.357 0.000 1.043 181 S HN 0.350 nan 8.310 nan 0.000 0.489 182 V N 3.465 123.491 119.914 0.185 0.000 2.357 182 V HA 0.351 4.471 4.120 0.001 0.000 0.281 182 V C -0.983 175.272 176.094 0.267 0.000 1.015 182 V CA -0.570 61.803 62.300 0.121 0.000 0.827 182 V CB 0.402 32.191 31.823 -0.056 0.000 1.018 182 V HN 0.914 nan 8.190 nan 0.000 0.432 183 F N 4.551 124.597 119.950 0.159 0.000 2.405 183 F HA 0.754 5.281 4.527 0.001 0.000 0.355 183 F C 0.362 176.233 175.800 0.118 0.000 1.121 183 F CA -0.555 57.547 58.000 0.172 0.000 1.112 183 F CB 0.868 39.933 39.000 0.107 0.000 1.126 183 F HN 0.502 nan 8.300 nan 0.000 0.481 184 A N 4.934 128.000 122.820 0.410 0.000 2.363 184 A HA 0.538 4.858 4.320 0.001 0.000 0.296 184 A C -0.078 177.543 177.584 0.063 0.000 1.237 184 A CA -0.470 51.710 52.037 0.239 0.000 0.773 184 A CB 0.552 19.582 19.000 0.050 0.000 1.153 184 A HN 1.013 nan 8.150 nan 0.000 0.473 185 G N 1.953 110.685 108.800 -0.114 0.000 2.621 185 G HA2 0.458 4.418 3.960 0.001 0.000 0.306 185 G HA3 0.458 4.418 3.960 0.001 0.000 0.306 185 G C -0.173 174.567 174.900 -0.267 0.000 0.893 185 G CA -0.043 44.892 45.100 -0.274 0.000 1.486 185 G HN 0.651 nan 8.290 nan 0.000 0.477 186 V N 2.657 122.495 119.914 -0.126 0.000 2.461 186 V HA 0.489 4.610 4.120 0.001 0.000 0.275 186 V C 1.630 177.699 176.094 -0.042 0.000 1.047 186 V CA 0.918 63.174 62.300 -0.073 0.000 0.955 186 V CB 0.841 32.640 31.823 -0.039 0.000 0.988 186 V HN 1.154 nan 8.190 nan 0.000 0.471 187 G N 3.483 112.265 108.800 -0.031 0.000 2.216 187 G HA2 -0.252 3.708 3.960 0.001 0.000 0.269 187 G HA3 -0.252 3.708 3.960 0.001 0.000 0.269 187 G C 0.454 175.348 174.900 -0.009 0.000 0.981 187 G CA 0.862 45.956 45.100 -0.011 0.000 0.658 187 G HN 0.656 nan 8.290 nan 0.000 0.539 188 E N -0.265 119.923 120.200 -0.020 0.000 4.138 188 E HA 0.354 4.704 4.350 0.001 0.000 0.369 188 E C 0.653 177.252 176.600 -0.002 0.000 0.995 188 E CA -0.831 55.564 56.400 -0.009 0.000 2.264 188 E CB 0.434 30.136 29.700 0.004 0.000 1.876 188 E HN 0.308 nan 8.360 nan 0.000 0.697 189 R N 0.668 121.176 120.500 0.014 0.000 2.265 189 R HA 0.138 4.479 4.340 0.001 0.000 0.314 189 R C 1.108 177.436 176.300 0.047 0.000 1.053 189 R CA -0.028 56.086 56.100 0.024 0.000 0.931 189 R CB 0.717 31.032 30.300 0.026 0.000 1.024 189 R HN 0.393 nan 8.270 nan 0.000 0.457 190 T N 2.112 116.693 114.554 0.044 0.000 2.746 190 T HA -0.164 4.187 4.350 0.001 0.000 0.267 190 T C 1.812 176.532 174.700 0.034 0.000 1.039 190 T CA 1.265 63.401 62.100 0.060 0.000 1.142 190 T CB -0.100 68.787 68.868 0.032 0.000 0.866 190 T HN 0.520 nan 8.240 nan 0.000 0.444 191 R N 0.753 121.262 120.500 0.015 0.000 2.133 191 R HA -0.160 4.180 4.340 0.001 0.000 0.247 191 R C 1.982 178.283 176.300 0.001 0.000 1.151 191 R CA 1.906 58.005 56.100 -0.002 0.000 0.971 191 R CB -0.136 30.167 30.300 0.006 0.000 0.866 191 R HN 0.463 nan 8.270 nan 0.000 0.447 192 E N -1.641 118.582 120.200 0.038 0.000 2.435 192 E HA -0.000 4.350 4.350 0.001 0.000 0.195 192 E C 1.508 178.145 176.600 0.063 0.000 1.029 192 E CA 0.471 56.902 56.400 0.052 0.000 0.865 192 E CB 0.327 30.073 29.700 0.077 0.000 0.833 192 E HN 0.557 nan 8.360 nan 0.000 0.510 193 G N 1.063 109.932 108.800 0.115 0.000 2.473 193 G HA2 -0.293 3.667 3.960 0.001 0.000 0.212 193 G HA3 -0.293 3.667 3.960 0.001 0.000 0.212 193 G C 1.303 176.122 174.900 -0.135 0.000 1.211 193 G CA 0.685 45.865 45.100 0.133 0.000 0.813 193 G HN 0.259 nan 8.290 nan 0.000 0.541 194 N N 0.630 119.222 118.700 -0.180 0.000 2.111 194 N HA -0.216 4.524 4.740 0.001 0.000 0.197 194 N C 1.670 177.003 175.510 -0.295 0.000 1.011 194 N CA 1.988 54.873 53.050 -0.275 0.000 0.880 194 N CB -0.221 38.122 38.487 -0.240 0.000 1.031 194 N HN 0.171 nan 8.380 nan 0.000 0.444 195 D N -0.584 119.723 120.400 -0.156 0.000 2.178 195 D HA -0.110 4.530 4.640 0.001 0.000 0.201 195 D C 1.837 178.100 176.300 -0.061 0.000 0.980 195 D CA 0.661 54.599 54.000 -0.105 0.000 0.842 195 D CB -0.083 40.698 40.800 -0.032 0.000 0.948 195 D HN 0.465 nan 8.370 nan 0.000 0.472 196 L N -1.250 119.940 121.223 -0.055 0.000 2.221 196 L HA -0.011 4.330 4.340 0.001 0.000 0.202 196 L C 2.136 179.008 176.870 0.003 0.000 1.074 196 L CA 0.642 55.453 54.840 -0.049 0.000 0.795 196 L CB -0.408 41.565 42.059 -0.143 0.000 0.960 196 L HN -0.109 nan 8.230 nan 0.000 0.458 197 Y N 1.189 121.395 120.300 -0.157 0.000 2.029 197 Y HA -0.422 4.128 4.550 0.001 0.000 0.269 197 Y C 2.597 178.556 175.900 0.099 0.000 1.201 197 Y CA 2.513 60.576 58.100 -0.061 0.000 1.115 197 Y CB -0.776 37.657 38.460 -0.046 0.000 0.945 197 Y HN 0.427 nan 8.280 nan 0.000 0.497 198 H N -1.411 117.664 119.070 0.008 0.000 2.462 198 H HA -0.067 4.490 4.556 0.001 0.000 0.292 198 H C 1.937 177.219 175.328 -0.076 0.000 1.049 198 H CA 0.784 56.794 56.048 -0.064 0.000 1.334 198 H CB 0.107 29.866 29.762 -0.007 0.000 1.404 198 H HN 0.513 nan 8.280 nan 0.000 0.544 199 E N 0.688 120.928 120.200 0.067 0.000 2.208 199 E HA -0.065 4.285 4.350 0.001 0.000 0.193 199 E C 1.282 177.869 176.600 -0.022 0.000 0.988 199 E CA 0.417 56.825 56.400 0.014 0.000 0.828 199 E CB 0.165 29.870 29.700 0.007 0.000 0.763 199 E HN 0.378 nan 8.360 nan 0.000 0.478 200 M N 0.610 120.183 119.600 -0.044 0.000 2.719 200 M HA 0.174 4.655 4.480 0.001 0.000 0.247 200 M C 0.850 177.072 176.300 -0.129 0.000 1.287 200 M CA 0.293 55.550 55.300 -0.072 0.000 1.004 200 M CB 0.410 32.969 32.600 -0.068 0.000 1.514 200 M HN 0.118 nan 8.290 nan 0.000 0.462 201 I N -1.994 118.497 120.570 -0.131 0.000 5.157 201 I HA -0.051 4.119 4.170 0.001 0.000 0.350 201 I C 1.666 177.715 176.117 -0.113 0.000 1.233 201 I CA 0.269 61.465 61.300 -0.173 0.000 1.476 201 I CB 0.720 38.544 38.000 -0.294 0.000 1.619 201 I HN 0.092 nan 8.210 nan 0.000 0.557 202 E N 1.227 121.380 120.200 -0.079 0.000 2.072 202 E HA -0.172 4.178 4.350 0.001 0.000 0.190 202 E C 2.042 178.617 176.600 -0.040 0.000 0.982 202 E CA 2.056 58.425 56.400 -0.052 0.000 0.803 202 E CB 0.126 29.807 29.700 -0.030 0.000 0.755 202 E HN 0.454 nan 8.360 nan 0.000 0.453 203 S N -1.105 114.574 115.700 -0.036 0.000 2.478 203 S HA 0.140 4.611 4.470 0.001 0.000 0.222 203 S C 1.552 176.137 174.600 -0.025 0.000 1.008 203 S CA 0.370 58.556 58.200 -0.023 0.000 0.928 203 S CB -0.153 63.038 63.200 -0.016 0.000 0.781 203 S HN 0.517 nan 8.310 nan 0.000 0.518 204 G N 1.179 109.953 108.800 -0.043 0.000 2.333 204 G HA2 -0.220 3.740 3.960 0.001 0.000 0.296 204 G HA3 -0.220 3.740 3.960 0.001 0.000 0.296 204 G C 0.484 175.375 174.900 -0.014 0.000 1.059 204 G CA 0.256 45.330 45.100 -0.043 0.000 1.050 204 G HN 0.835 nan 8.290 nan 0.000 0.508 205 V N -0.695 119.214 119.914 -0.008 0.000 2.719 205 V HA 0.160 4.280 4.120 0.001 0.000 0.252 205 V C 1.576 177.684 176.094 0.024 0.000 1.065 205 V CA 0.830 63.147 62.300 0.029 0.000 1.086 205 V CB -0.245 31.605 31.823 0.044 0.000 0.700 205 V HN 0.545 nan 8.190 nan 0.000 0.467 206 I N 2.171 122.723 120.570 -0.031 0.000 2.321 206 I HA 0.425 4.596 4.170 0.001 0.000 0.291 206 I C -0.594 175.476 176.117 -0.079 0.000 0.998 206 I CA 0.069 61.333 61.300 -0.060 0.000 1.227 206 I CB 1.076 38.979 38.000 -0.163 0.000 1.368 206 I HN 0.181 nan 8.210 nan 0.000 0.466 207 N N 6.526 125.201 118.700 -0.042 0.000 2.399 207 N HA 0.353 5.093 4.740 0.001 0.000 0.280 207 N C 0.585 176.071 175.510 -0.039 0.000 1.008 207 N CA -0.472 52.551 53.050 -0.044 0.000 0.894 207 N CB 2.033 40.510 38.487 -0.016 0.000 1.273 207 N HN 0.504 nan 8.380 nan 0.000 0.486 208 L N 1.891 123.079 121.223 -0.059 0.000 2.291 208 L HA -0.069 4.272 4.340 0.001 0.000 0.214 208 L C 1.631 178.490 176.870 -0.019 0.000 1.120 208 L CA 0.799 55.614 54.840 -0.041 0.000 0.799 208 L CB -0.140 41.885 42.059 -0.057 0.000 0.925 208 L HN 0.412 nan 8.230 nan 0.000 0.446 209 K N 0.697 121.086 120.400 -0.020 0.000 2.035 209 K HA -0.004 4.316 4.320 0.001 0.000 0.213 209 K C 0.958 177.558 176.600 -0.001 0.000 1.027 209 K CA 0.713 56.993 56.287 -0.011 0.000 0.950 209 K CB -0.886 31.606 32.500 -0.014 0.000 0.790 209 K HN 0.276 nan 8.250 nan 0.000 0.448 210 D N 0.172 120.573 120.400 0.002 0.000 1.944 210 D HA 0.089 4.729 4.640 0.001 0.000 0.262 210 D C 0.286 176.598 176.300 0.020 0.000 1.127 210 D CA 0.399 54.405 54.000 0.011 0.000 0.957 210 D CB -0.073 40.734 40.800 0.013 0.000 1.227 210 D HN 0.233 nan 8.370 nan 0.000 0.483 211 A N -1.538 121.300 122.820 0.030 0.000 2.568 211 A HA 0.315 4.635 4.320 0.001 0.000 0.287 211 A C 0.896 178.520 177.584 0.066 0.000 0.967 211 A CA 0.129 52.193 52.037 0.045 0.000 1.004 211 A CB -0.648 18.377 19.000 0.042 0.000 1.233 211 A HN 0.523 nan 8.150 nan 0.000 0.513 212 T N -1.835 112.754 114.554 0.059 0.000 3.317 212 T HA 0.145 4.495 4.350 0.001 0.000 0.250 212 T C 0.579 175.338 174.700 0.099 0.000 1.106 212 T CA 0.358 62.503 62.100 0.075 0.000 0.986 212 T CB -0.584 68.313 68.868 0.048 0.000 1.010 212 T HN 0.148 nan 8.240 nan 0.000 0.560 213 S N 1.888 117.650 115.700 0.102 0.000 2.516 213 S HA 0.186 4.657 4.470 0.001 0.000 0.282 213 S C 0.845 175.569 174.600 0.206 0.000 1.286 213 S CA -0.379 57.890 58.200 0.116 0.000 1.066 213 S CB 0.541 63.793 63.200 0.087 0.000 0.884 213 S HN 0.489 nan 8.310 nan 0.000 0.491 214 K N 2.060 122.593 120.400 0.221 0.000 2.498 214 K HA 0.266 4.586 4.320 0.001 0.000 0.207 214 K C -0.954 175.844 176.600 0.329 0.000 1.033 214 K CA 0.046 56.545 56.287 0.353 0.000 1.138 214 K CB 0.573 33.235 32.500 0.271 0.000 0.860 214 K HN 0.310 nan 8.250 nan 0.000 0.490 215 V N 1.246 121.293 119.914 0.221 0.000 2.559 215 V HA 0.281 4.401 4.120 0.001 0.000 0.289 215 V C -0.704 175.459 176.094 0.114 0.000 1.036 215 V CA -1.187 61.216 62.300 0.171 0.000 0.887 215 V CB 1.423 33.329 31.823 0.139 0.000 1.022 215 V HN 0.199 nan 8.190 nan 0.000 0.442 216 A N 6.352 129.205 122.820 0.055 0.000 2.366 216 A HA 0.800 5.120 4.320 0.001 0.000 0.272 216 A C -0.397 177.235 177.584 0.080 0.000 1.135 216 A CA -0.187 51.858 52.037 0.014 0.000 0.804 216 A CB 0.313 19.230 19.000 -0.139 0.000 1.064 216 A HN 0.800 nan 8.150 nan 0.000 0.499 217 L N 3.854 125.132 121.223 0.092 0.000 2.287 217 L HA 0.461 4.802 4.340 0.001 0.000 0.287 217 L C -0.706 176.260 176.870 0.161 0.000 1.022 217 L CA -0.712 54.220 54.840 0.153 0.000 0.814 217 L CB 1.315 43.402 42.059 0.048 0.000 1.217 217 L HN 0.392 nan 8.230 nan 0.000 0.420 218 V N 3.431 123.494 119.914 0.248 0.000 2.581 218 V HA 0.501 4.622 4.120 0.001 0.000 0.303 218 V C -1.067 175.249 176.094 0.369 0.000 1.041 218 V CA -0.542 61.884 62.300 0.210 0.000 0.907 218 V CB 2.035 33.911 31.823 0.088 0.000 0.994 218 V HN 0.421 nan 8.190 nan 0.000 0.442 219 Y N 1.277 121.576 120.300 -0.001 0.000 2.470 219 Y HA 0.727 5.277 4.550 0.001 0.000 0.341 219 Y C 0.349 176.244 175.900 -0.008 0.000 1.021 219 Y CA -0.838 57.262 58.100 0.000 0.000 1.025 219 Y CB 2.735 41.171 38.460 -0.040 0.000 1.266 219 Y HN 0.693 nan 8.280 nan 0.000 0.448 220 G N 3.934 112.756 108.800 0.037 0.000 2.460 220 G HA2 0.352 4.312 3.960 0.001 0.000 0.299 220 G HA3 0.352 4.312 3.960 0.001 0.000 0.299 220 G C -1.198 173.699 174.900 -0.004 0.000 1.592 220 G CA -0.643 44.472 45.100 0.025 0.000 1.008 220 G HN 0.269 nan 8.290 nan 0.000 0.513 221 Q N 1.282 121.092 119.800 0.017 0.000 2.162 221 Q HA 0.319 4.660 4.340 0.001 0.000 0.197 221 Q C 1.981 177.983 176.000 0.003 0.000 1.013 221 Q CA -0.797 55.008 55.803 0.004 0.000 1.040 221 Q CB 0.794 29.552 28.738 0.034 0.000 1.114 221 Q HN 0.759 nan 8.270 nan 0.000 0.547 222 M N -0.481 119.119 119.600 0.001 0.000 2.686 222 M HA -0.031 4.449 4.480 0.001 0.000 0.246 222 M C 0.459 176.759 176.300 -0.001 0.000 1.096 222 M CA 1.239 56.537 55.300 -0.003 0.000 1.076 222 M CB -0.549 32.046 32.600 -0.008 0.000 1.504 222 M HN 0.393 nan 8.290 nan 0.000 0.524 223 N N 0.120 118.822 118.700 0.003 0.000 2.373 223 N HA 0.071 4.811 4.740 0.001 0.000 0.181 223 N C -0.128 175.383 175.510 0.002 0.000 1.082 223 N CA 0.118 53.170 53.050 0.002 0.000 0.885 223 N CB 0.023 38.513 38.487 0.004 0.000 0.977 223 N HN 0.449 nan 8.380 nan 0.000 0.462 224 E N 0.772 120.974 120.200 0.003 0.000 2.280 224 E HA 0.323 4.673 4.350 0.001 0.000 0.264 224 E C -2.228 174.371 176.600 -0.001 0.000 1.064 224 E CA -1.906 54.496 56.400 0.003 0.000 0.900 224 E CB 0.258 29.962 29.700 0.007 0.000 1.123 224 E HN 0.093 nan 8.360 nan 0.000 0.418 225 P HA -0.046 nan 4.420 nan 0.000 0.271 225 P C -1.944 175.352 177.300 -0.007 0.000 1.233 225 P CA -0.608 62.490 63.100 -0.004 0.000 0.795 225 P CB -0.204 31.496 31.700 -0.001 0.000 0.936 226 P HA -0.120 nan 4.420 nan 0.000 0.216 226 P C 1.498 178.791 177.300 -0.012 0.000 1.153 226 P CA 1.812 64.898 63.100 -0.022 0.000 0.844 226 P CB -0.450 31.232 31.700 -0.029 0.000 0.787 227 G N 0.640 109.438 108.800 -0.002 0.000 2.631 227 G HA2 -0.362 3.599 3.960 0.001 0.000 0.219 227 G HA3 -0.362 3.599 3.960 0.001 0.000 0.219 227 G C 1.664 176.577 174.900 0.021 0.000 1.214 227 G CA 1.633 46.740 45.100 0.013 0.000 0.785 227 G HN 0.336 nan 8.290 nan 0.000 0.596 228 A N 0.679 123.508 122.820 0.015 0.000 1.852 228 A HA -0.166 4.155 4.320 0.001 0.000 0.217 228 A C 2.437 180.035 177.584 0.024 0.000 1.215 228 A CA 2.245 54.292 52.037 0.016 0.000 0.641 228 A CB -0.706 18.301 19.000 0.010 0.000 0.838 228 A HN 0.384 nan 8.150 nan 0.000 0.450 229 R N -0.809 119.701 120.500 0.016 0.000 2.117 229 R HA -0.150 4.190 4.340 0.001 0.000 0.243 229 R C 2.291 178.632 176.300 0.069 0.000 1.143 229 R CA 1.206 57.320 56.100 0.022 0.000 0.968 229 R CB -0.516 29.783 30.300 -0.002 0.000 0.863 229 R HN 0.557 nan 8.270 nan 0.000 0.444 230 A N 0.481 123.334 122.820 0.056 0.000 2.178 230 A HA -0.102 4.218 4.320 0.001 0.000 0.218 230 A C 1.615 179.351 177.584 0.253 0.000 1.157 230 A CA 1.151 53.254 52.037 0.110 0.000 0.689 230 A CB 0.045 19.055 19.000 0.017 0.000 0.787 230 A HN 0.129 nan 8.150 nan 0.000 0.465 231 R N -2.185 118.397 120.500 0.137 0.000 2.568 231 R HA 0.143 4.484 4.340 0.001 0.000 0.254 231 R C 1.552 177.849 176.300 -0.004 0.000 0.925 231 R CA 0.823 56.967 56.100 0.073 0.000 1.025 231 R CB -0.582 29.750 30.300 0.052 0.000 1.428 231 R HN 0.329 nan 8.270 nan 0.000 0.573 232 V N 1.665 121.584 119.914 0.008 0.000 2.370 232 V HA -0.263 3.857 4.120 0.001 0.000 0.252 232 V C 2.443 178.503 176.094 -0.056 0.000 1.068 232 V CA 2.407 64.696 62.300 -0.019 0.000 1.061 232 V CB -0.774 31.044 31.823 -0.009 0.000 0.656 232 V HN 0.283 nan 8.190 nan 0.000 0.455 233 A N -0.851 121.920 122.820 -0.081 0.000 1.970 233 A HA 0.041 4.361 4.320 0.001 0.000 0.216 233 A C 2.178 179.637 177.584 -0.209 0.000 1.170 233 A CA 0.880 52.819 52.037 -0.163 0.000 0.645 233 A CB -0.325 18.528 19.000 -0.246 0.000 0.816 233 A HN 0.437 nan 8.150 nan 0.000 0.447 234 L N -0.429 120.668 121.223 -0.209 0.000 2.131 234 L HA -0.154 4.186 4.340 0.001 0.000 0.210 234 L C 2.638 179.400 176.870 -0.180 0.000 1.092 234 L CA 2.007 56.713 54.840 -0.223 0.000 0.759 234 L CB -1.047 40.862 42.059 -0.249 0.000 0.903 234 L HN 0.381 nan 8.230 nan 0.000 0.435 235 T N -0.502 113.968 114.554 -0.139 0.000 2.643 235 T HA -0.091 4.259 4.350 0.001 0.000 0.256 235 T C 1.723 176.371 174.700 -0.086 0.000 1.061 235 T CA 1.331 63.367 62.100 -0.107 0.000 1.163 235 T CB -0.524 68.296 68.868 -0.080 0.000 0.865 235 T HN 0.493 nan 8.240 nan 0.000 0.407 236 G N 1.672 110.430 108.800 -0.069 0.000 2.532 236 G HA2 -0.189 3.772 3.960 0.001 0.000 0.222 236 G HA3 -0.189 3.772 3.960 0.001 0.000 0.222 236 G C 1.480 176.334 174.900 -0.077 0.000 1.102 236 G CA 1.485 46.552 45.100 -0.054 0.000 0.742 236 G HN 0.563 nan 8.290 nan 0.000 0.577 237 L N -2.414 118.750 121.223 -0.097 0.000 2.408 237 L HA 0.377 4.717 4.340 0.001 0.000 0.215 237 L C 2.338 179.173 176.870 -0.059 0.000 1.081 237 L CA 1.797 56.581 54.840 -0.092 0.000 0.840 237 L CB -0.840 41.145 42.059 -0.123 0.000 1.002 237 L HN -0.088 nan 8.230 nan 0.000 0.468 238 T N 0.040 114.558 114.554 -0.061 0.000 2.803 238 T HA -0.127 4.223 4.350 0.001 0.000 0.269 238 T C 1.947 176.659 174.700 0.020 0.000 1.052 238 T CA 1.803 63.891 62.100 -0.020 0.000 1.136 238 T CB -0.325 68.516 68.868 -0.044 0.000 0.864 238 T HN 0.221 nan 8.240 nan 0.000 0.467 239 V N 1.137 121.034 119.914 -0.028 0.000 2.358 239 V HA -0.060 4.060 4.120 0.001 0.000 0.246 239 V C 2.639 178.681 176.094 -0.086 0.000 1.047 239 V CA 1.685 63.952 62.300 -0.055 0.000 1.035 239 V CB -0.741 31.007 31.823 -0.124 0.000 0.658 239 V HN 0.512 nan 8.190 nan 0.000 0.452 240 A N -1.370 121.397 122.820 -0.089 0.000 2.178 240 A HA -0.014 4.306 4.320 0.001 0.000 0.211 240 A C 2.074 179.700 177.584 0.071 0.000 1.157 240 A CA 0.615 52.603 52.037 -0.082 0.000 0.780 240 A CB -0.251 18.697 19.000 -0.087 0.000 0.828 240 A HN 0.557 nan 8.150 nan 0.000 0.476 241 E N -1.511 118.743 120.200 0.090 0.000 2.152 241 E HA -0.142 4.208 4.350 0.001 0.000 0.192 241 E C 1.538 178.255 176.600 0.194 0.000 0.983 241 E CA 0.871 57.338 56.400 0.111 0.000 0.818 241 E CB -0.171 29.574 29.700 0.075 0.000 0.758 241 E HN 0.779 nan 8.360 nan 0.000 0.467 242 Y N 0.571 120.966 120.300 0.158 0.000 2.070 242 Y HA -0.263 4.287 4.550 0.001 0.000 0.279 242 Y C 1.788 177.867 175.900 0.299 0.000 1.134 242 Y CA 1.647 59.879 58.100 0.220 0.000 1.113 242 Y CB -0.407 38.218 38.460 0.276 0.000 0.981 242 Y HN -0.039 nan 8.280 nan 0.000 0.487 243 F N 0.803 120.848 119.950 0.157 0.000 2.346 243 F HA -0.189 4.339 4.527 0.001 0.000 0.301 243 F C 2.540 178.371 175.800 0.052 0.000 1.070 243 F CA 1.613 59.673 58.000 0.101 0.000 1.407 243 F CB -0.821 38.292 39.000 0.188 0.000 1.072 243 F HN 0.156 nan 8.300 nan 0.000 0.543 244 R N 0.387 121.009 120.500 0.204 0.000 2.041 244 R HA -0.066 4.274 4.340 0.001 0.000 0.221 244 R C 1.836 178.149 176.300 0.022 0.000 1.196 244 R CA 1.315 57.478 56.100 0.104 0.000 0.969 244 R CB -0.554 29.795 30.300 0.081 0.000 0.858 244 R HN -0.013 nan 8.270 nan 0.000 0.444 245 D N 0.632 121.031 120.400 -0.003 0.000 2.158 245 D HA -0.176 4.465 4.640 0.001 0.000 0.197 245 D C 2.014 178.256 176.300 -0.096 0.000 0.995 245 D CA 1.200 55.176 54.000 -0.039 0.000 0.846 245 D CB 0.040 40.826 40.800 -0.023 0.000 0.941 245 D HN 0.282 nan 8.370 nan 0.000 0.456 246 Q N 0.291 119.969 119.800 -0.203 0.000 1.879 246 Q HA -0.047 4.293 4.340 0.001 0.000 0.214 246 Q C 2.249 178.162 176.000 -0.144 0.000 0.973 246 Q CA 0.801 56.453 55.803 -0.253 0.000 0.856 246 Q CB -0.890 27.525 28.738 -0.538 0.000 0.907 246 Q HN 0.146 nan 8.270 nan 0.000 0.436 247 E N 0.104 120.224 120.200 -0.134 0.000 2.208 247 E HA -0.161 4.189 4.350 0.001 0.000 0.202 247 E C 1.023 177.607 176.600 -0.025 0.000 1.014 247 E CA 1.373 57.742 56.400 -0.052 0.000 0.819 247 E CB -0.604 29.106 29.700 0.016 0.000 0.735 247 E HN 0.722 nan 8.360 nan 0.000 0.469 248 G N -0.352 108.438 108.800 -0.018 0.000 2.168 248 G HA2 -0.385 3.575 3.960 0.001 0.000 0.263 248 G HA3 -0.385 3.575 3.960 0.001 0.000 0.263 248 G C 0.349 175.260 174.900 0.019 0.000 0.977 248 G CA 0.601 45.699 45.100 -0.004 0.000 0.659 248 G HN 0.307 nan 8.290 nan 0.000 0.533 249 Q N 0.352 120.178 119.800 0.043 0.000 2.526 249 Q HA 0.468 4.809 4.340 0.001 0.000 0.207 249 Q C -0.139 175.920 176.000 0.100 0.000 1.078 249 Q CA 0.169 56.012 55.803 0.068 0.000 1.041 249 Q CB 0.362 29.175 28.738 0.125 0.000 1.228 249 Q HN 0.247 nan 8.270 nan 0.000 0.603 250 D N 0.719 121.196 120.400 0.128 0.000 2.499 250 D HA 0.208 4.849 4.640 0.001 0.000 0.225 250 D C -1.078 175.388 176.300 0.277 0.000 1.124 250 D CA -0.131 53.986 54.000 0.196 0.000 0.938 250 D CB 0.213 41.172 40.800 0.265 0.000 1.014 250 D HN 0.155 nan 8.370 nan 0.000 0.517 251 V N 1.398 121.423 119.914 0.185 0.000 2.461 251 V HA 0.254 4.374 4.120 0.001 0.000 0.275 251 V C 0.649 176.752 176.094 0.015 0.000 1.047 251 V CA -0.765 61.641 62.300 0.176 0.000 0.955 251 V CB 1.018 32.943 31.823 0.171 0.000 0.988 251 V HN 0.289 nan 8.190 nan 0.000 0.471 252 L N 5.945 127.153 121.223 -0.024 0.000 2.255 252 L HA 0.433 4.774 4.340 0.001 0.000 0.289 252 L C -0.436 176.321 176.870 -0.190 0.000 1.046 252 L CA -0.472 54.240 54.840 -0.214 0.000 0.816 252 L CB 1.352 43.322 42.059 -0.149 0.000 1.197 252 L HN 0.563 nan 8.230 nan 0.000 0.427 253 L N 5.059 126.076 121.223 -0.344 0.000 2.276 253 L HA 0.532 4.873 4.340 0.001 0.000 0.286 253 L C -1.012 175.599 176.870 -0.431 0.000 1.024 253 L CA 0.099 54.795 54.840 -0.241 0.000 0.826 253 L CB 0.569 42.524 42.059 -0.175 0.000 1.211 253 L HN 0.132 nan 8.230 nan 0.000 0.422 254 F N 5.774 125.611 119.950 -0.188 0.000 2.420 254 F HA 0.612 5.140 4.527 0.001 0.000 0.342 254 F C 0.277 175.796 175.800 -0.469 0.000 1.113 254 F CA -0.521 57.271 58.000 -0.347 0.000 1.059 254 F CB 1.080 39.809 39.000 -0.450 0.000 1.128 254 F HN 0.281 nan 8.300 nan 0.000 0.475 255 I N 2.054 122.463 120.570 -0.270 0.000 2.603 255 I HA 0.451 4.621 4.170 0.001 0.000 0.300 255 I C -1.195 174.739 176.117 -0.304 0.000 1.017 255 I CA -0.715 60.409 61.300 -0.293 0.000 1.098 255 I CB 2.207 40.085 38.000 -0.203 0.000 1.279 255 I HN 0.429 nan 8.210 nan 0.000 0.437 256 D N 4.366 124.612 120.400 -0.257 0.000 2.318 256 D HA 0.183 4.823 4.640 0.001 0.000 0.233 256 D C -1.686 174.576 176.300 -0.064 0.000 1.348 256 D CA -0.273 53.645 54.000 -0.137 0.000 0.983 256 D CB 0.855 41.583 40.800 -0.119 0.000 1.416 256 D HN 0.486 nan 8.370 nan 0.000 0.558 257 N N 4.373 123.057 118.700 -0.026 0.000 2.533 257 N HA 0.124 4.864 4.740 0.001 0.000 0.289 257 N C 0.508 176.047 175.510 0.048 0.000 1.103 257 N CA -0.523 52.535 53.050 0.013 0.000 0.877 257 N CB 1.295 39.827 38.487 0.076 0.000 1.419 257 N HN 0.343 nan 8.380 nan 0.000 0.517 258 I N 4.086 124.654 120.570 -0.003 0.000 2.908 258 I HA -0.113 4.057 4.170 0.001 0.000 0.271 258 I C 1.270 177.452 176.117 0.108 0.000 1.275 258 I CA 0.864 62.164 61.300 -0.000 0.000 1.446 258 I CB -0.652 37.295 38.000 -0.087 0.000 1.092 258 I HN 0.590 nan 8.210 nan 0.000 0.482 259 F N 1.345 121.310 119.950 0.025 0.000 2.163 259 F HA -0.108 4.419 4.527 0.001 0.000 0.297 259 F C 2.274 178.138 175.800 0.107 0.000 1.094 259 F CA 1.253 59.301 58.000 0.080 0.000 1.290 259 F CB -0.399 38.681 39.000 0.134 0.000 1.017 259 F HN -0.047 nan 8.300 nan 0.000 0.483 260 R N 0.089 120.573 120.500 -0.026 0.000 2.303 260 R HA -0.198 4.143 4.340 0.001 0.000 0.225 260 R C 2.033 178.255 176.300 -0.130 0.000 1.114 260 R CA 1.018 57.043 56.100 -0.124 0.000 1.007 260 R CB -1.751 28.561 30.300 0.020 0.000 0.861 260 R HN 0.458 nan 8.270 nan 0.000 0.471 261 F N 1.852 121.681 119.950 -0.202 0.000 2.128 261 F HA -0.146 4.381 4.527 0.001 0.000 0.295 261 F C 1.854 177.547 175.800 -0.178 0.000 1.100 261 F CA 1.773 59.678 58.000 -0.157 0.000 1.260 261 F CB -0.385 38.540 39.000 -0.126 0.000 1.009 261 F HN -0.048 nan 8.300 nan 0.000 0.476 262 T N -0.472 113.793 114.554 -0.480 0.000 2.942 262 T HA -0.136 4.215 4.350 0.001 0.000 0.265 262 T C 1.884 176.355 174.700 -0.382 0.000 1.062 262 T CA 1.043 62.829 62.100 -0.525 0.000 1.139 262 T CB -0.511 68.180 68.868 -0.295 0.000 0.883 262 T HN 0.489 nan 8.240 nan 0.000 0.468 263 Q N 1.662 121.155 119.800 -0.512 0.000 2.020 263 Q HA -0.112 4.228 4.340 0.001 0.000 0.202 263 Q C 2.591 178.461 176.000 -0.218 0.000 0.982 263 Q CA 1.645 57.239 55.803 -0.348 0.000 0.838 263 Q CB -0.544 27.927 28.738 -0.445 0.000 0.899 263 Q HN 0.508 nan 8.270 nan 0.000 0.423 264 A N 0.828 123.516 122.820 -0.219 0.000 1.903 264 A HA -0.221 4.100 4.320 0.001 0.000 0.219 264 A C 2.338 179.819 177.584 -0.173 0.000 1.191 264 A CA 2.075 54.020 52.037 -0.154 0.000 0.638 264 A CB -1.685 17.245 19.000 -0.117 0.000 0.823 264 A HN 0.670 nan 8.150 nan 0.000 0.451 265 G N -1.020 107.612 108.800 -0.281 0.000 2.442 265 G HA2 -0.211 3.749 3.960 0.001 0.000 0.219 265 G HA3 -0.211 3.749 3.960 0.001 0.000 0.219 265 G C 1.916 176.726 174.900 -0.150 0.000 1.141 265 G CA 1.696 46.641 45.100 -0.258 0.000 0.763 265 G HN 0.691 nan 8.290 nan 0.000 0.554 266 S N 0.606 116.228 115.700 -0.130 0.000 2.348 266 S HA -0.149 4.321 4.470 0.001 0.000 0.221 266 S C 2.216 176.769 174.600 -0.079 0.000 1.033 266 S CA 1.892 60.043 58.200 -0.082 0.000 1.010 266 S CB -0.435 62.708 63.200 -0.095 0.000 0.891 266 S HN 0.582 nan 8.310 nan 0.000 0.442 267 E N 0.467 120.619 120.200 -0.081 0.000 2.097 267 E HA -0.148 4.202 4.350 0.001 0.000 0.196 267 E C 2.263 178.835 176.600 -0.047 0.000 1.000 267 E CA 1.812 58.176 56.400 -0.060 0.000 0.804 267 E CB -0.480 29.188 29.700 -0.053 0.000 0.740 267 E HN 0.722 nan 8.360 nan 0.000 0.454 268 V N -1.441 118.443 119.914 -0.049 0.000 2.878 268 V HA -0.058 4.063 4.120 0.001 0.000 0.250 268 V C 2.338 178.413 176.094 -0.032 0.000 1.075 268 V CA 1.419 63.698 62.300 -0.035 0.000 1.096 268 V CB 0.219 32.023 31.823 -0.031 0.000 0.724 268 V HN 0.145 nan 8.190 nan 0.000 0.467 269 S N 1.524 117.200 115.700 -0.041 0.000 2.380 269 S HA -0.281 4.189 4.470 0.001 0.000 0.229 269 S C 2.183 176.770 174.600 -0.022 0.000 1.043 269 S CA 2.511 60.692 58.200 -0.031 0.000 1.038 269 S CB -0.757 62.424 63.200 -0.032 0.000 0.872 269 S HN 1.155 nan 8.310 nan 0.000 0.456 270 A N 1.455 124.260 122.820 -0.025 0.000 1.849 270 A HA -0.078 4.243 4.320 0.001 0.000 0.217 270 A C 2.146 179.721 177.584 -0.014 0.000 1.202 270 A CA 1.958 53.983 52.037 -0.019 0.000 0.629 270 A CB -1.174 17.812 19.000 -0.024 0.000 0.834 270 A HN 0.586 nan 8.150 nan 0.000 0.447 271 L N -0.750 120.464 121.223 -0.014 0.000 2.642 271 L HA -0.037 4.303 4.340 0.001 0.000 0.236 271 L C 1.850 178.716 176.870 -0.005 0.000 1.169 271 L CA 0.476 55.311 54.840 -0.009 0.000 0.851 271 L CB -0.258 41.796 42.059 -0.009 0.000 0.968 271 L HN 0.338 nan 8.230 nan 0.000 0.453 272 L N -1.000 120.219 121.223 -0.007 0.000 2.554 272 L HA 0.281 4.621 4.340 0.001 0.000 0.225 272 L C 1.176 178.046 176.870 -0.001 0.000 1.104 272 L CA 0.459 55.297 54.840 -0.004 0.000 0.866 272 L CB 0.187 42.241 42.059 -0.008 0.000 1.047 272 L HN 0.334 nan 8.230 nan 0.000 0.468 273 G N 0.635 109.434 108.800 -0.003 0.000 2.226 273 G HA2 -0.192 3.768 3.960 0.001 0.000 0.176 273 G HA3 -0.192 3.768 3.960 0.001 0.000 0.176 273 G C -0.276 174.623 174.900 -0.001 0.000 1.042 273 G CA -0.673 44.426 45.100 -0.000 0.000 0.732 273 G HN 0.121 nan 8.290 nan 0.000 0.494 274 R N -0.116 120.382 120.500 -0.003 0.000 2.295 274 R HA 0.651 4.991 4.340 0.001 0.000 0.324 274 R C 0.954 177.254 176.300 0.000 0.000 0.968 274 R CA -0.740 55.359 56.100 -0.001 0.000 0.837 274 R CB 0.707 31.006 30.300 -0.002 0.000 1.133 274 R HN 0.350 nan 8.270 nan 0.000 0.450 275 I N 5.451 126.023 120.570 0.003 0.000 2.775 275 I HA 0.040 4.211 4.170 0.001 0.000 0.290 275 I C -1.677 174.445 176.117 0.008 0.000 1.203 275 I CA -1.111 60.191 61.300 0.004 0.000 1.433 275 I CB 0.334 38.338 38.000 0.006 0.000 1.354 275 I HN 0.354 nan 8.210 nan 0.000 0.579 276 P HA 0.210 nan 4.420 nan 0.000 0.279 276 P C -0.616 176.698 177.300 0.025 0.000 1.252 276 P CA -0.554 62.554 63.100 0.012 0.000 0.811 276 P CB 1.165 32.865 31.700 0.000 0.000 1.035 277 S N 0.481 116.209 115.700 0.045 0.000 2.618 277 S HA 0.745 5.216 4.470 0.001 0.000 0.284 277 S C 0.052 174.695 174.600 0.072 0.000 1.102 277 S CA -0.687 57.546 58.200 0.056 0.000 0.984 277 S CB -0.101 63.137 63.200 0.063 0.000 1.280 277 S HN 0.520 nan 8.310 nan 0.000 0.525 278 A N 0.173 123.042 122.820 0.082 0.000 2.498 278 A HA 0.484 4.804 4.320 0.001 0.000 0.239 278 A C 1.183 178.856 177.584 0.150 0.000 1.068 278 A CA 0.106 52.197 52.037 0.091 0.000 0.766 278 A CB -0.961 18.085 19.000 0.077 0.000 1.003 278 A HN 1.779 nan 8.150 nan 0.000 0.497 279 V N 1.149 121.131 119.914 0.113 0.000 1.878 279 V HA -0.343 3.777 4.120 0.001 0.000 0.079 279 V C 1.709 177.804 176.094 0.001 0.000 0.474 279 V CA 2.052 64.418 62.300 0.109 0.000 1.423 279 V CB -2.288 29.682 31.823 0.245 0.000 1.673 279 V HN 2.940 nan 8.190 nan 0.000 0.860 280 G N -2.127 106.686 108.800 0.021 0.000 2.182 280 G HA2 -0.312 3.648 3.960 0.001 0.000 0.248 280 G HA3 -0.312 3.648 3.960 0.001 0.000 0.248 280 G C -0.305 174.526 174.900 -0.115 0.000 1.042 280 G CA 0.397 45.467 45.100 -0.050 0.000 0.775 280 G HN 0.815 nan 8.290 nan 0.000 0.501 281 Y N 0.358 120.663 120.300 0.008 0.000 2.408 281 Y HA 0.499 5.049 4.550 0.001 0.000 0.324 281 Y C 1.391 177.280 175.900 -0.019 0.000 1.302 281 Y CA -0.520 57.576 58.100 -0.007 0.000 1.384 281 Y CB 0.467 38.928 38.460 0.002 0.000 1.367 281 Y HN 0.391 nan 8.280 nan 0.000 0.525 282 Q N 1.173 121.068 119.800 0.158 0.000 2.432 282 Q HA 0.057 4.397 4.340 0.001 0.000 0.264 282 Q C -2.381 173.656 176.000 0.061 0.000 1.035 282 Q CA -1.601 54.238 55.803 0.060 0.000 0.908 282 Q CB 0.126 28.873 28.738 0.015 0.000 1.280 282 Q HN 0.374 nan 8.270 nan 0.000 0.455 283 P HA -0.048 nan 4.420 nan 0.000 0.239 283 P C 0.621 177.934 177.300 0.022 0.000 1.184 283 P CA 1.175 64.293 63.100 0.030 0.000 0.760 283 P CB 0.022 31.733 31.700 0.019 0.000 0.884 284 T N -5.299 109.264 114.554 0.015 0.000 3.132 284 T HA 0.178 4.528 4.350 0.001 0.000 0.274 284 T C 1.313 176.013 174.700 0.000 0.000 1.011 284 T CA -0.326 61.778 62.100 0.008 0.000 0.899 284 T CB -0.921 67.947 68.868 0.000 0.000 1.089 284 T HN -0.029 nan 8.240 nan 0.000 0.543 285 L N 1.404 122.624 121.223 -0.005 0.000 2.051 285 L HA -0.084 4.256 4.340 0.001 0.000 0.214 285 L C 2.701 179.561 176.870 -0.017 0.000 1.076 285 L CA 2.095 56.910 54.840 -0.041 0.000 0.758 285 L CB -0.690 41.313 42.059 -0.093 0.000 0.890 285 L HN 0.414 nan 8.230 nan 0.000 0.433 286 A N -0.299 122.526 122.820 0.009 0.000 1.841 286 A HA -0.283 4.037 4.320 0.001 0.000 0.216 286 A C 2.387 180.012 177.584 0.069 0.000 1.199 286 A CA 2.967 55.030 52.037 0.043 0.000 0.621 286 A CB -1.474 17.549 19.000 0.039 0.000 0.835 286 A HN 0.633 nan 8.150 nan 0.000 0.445 287 T N -2.618 111.970 114.554 0.055 0.000 2.857 287 T HA -0.102 4.249 4.350 0.001 0.000 0.266 287 T C 1.384 176.130 174.700 0.077 0.000 1.048 287 T CA 1.453 63.592 62.100 0.064 0.000 1.139 287 T CB -0.557 68.338 68.868 0.045 0.000 0.874 287 T HN 0.327 nan 8.240 nan 0.000 0.455 288 D N 1.091 121.535 120.400 0.072 0.000 2.133 288 D HA -0.120 4.521 4.640 0.001 0.000 0.192 288 D C 1.925 178.356 176.300 0.219 0.000 1.001 288 D CA 1.361 55.436 54.000 0.125 0.000 0.844 288 D CB -0.415 40.402 40.800 0.028 0.000 0.944 288 D HN 0.417 nan 8.370 nan 0.000 0.447 289 M N -0.009 119.681 119.600 0.150 0.000 2.099 289 M HA -0.044 4.436 4.480 0.001 0.000 0.262 289 M C 2.046 178.307 176.300 -0.065 0.000 1.067 289 M CA 2.076 57.417 55.300 0.069 0.000 1.124 289 M CB -0.339 32.256 32.600 -0.009 0.000 1.353 289 M HN 0.050 nan 8.290 nan 0.000 0.410 290 G N -0.471 108.360 108.800 0.051 0.000 2.545 290 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 290 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 290 G C 0.986 175.932 174.900 0.077 0.000 1.218 290 G CA 1.394 46.580 45.100 0.143 0.000 0.787 290 G HN 0.596 nan 8.290 nan 0.000 0.571 291 T N -1.666 112.927 114.554 0.065 0.000 4.210 291 T HA 0.440 4.791 4.350 0.001 0.000 0.229 291 T C 0.804 175.513 174.700 0.015 0.000 0.813 291 T CA 0.690 62.819 62.100 0.049 0.000 0.888 291 T CB 0.252 69.155 68.868 0.059 0.000 1.327 291 T HN 0.300 nan 8.240 nan 0.000 0.739 292 M N -0.795 118.781 119.600 -0.040 0.000 1.591 292 M HA 0.038 4.519 4.480 0.001 0.000 0.298 292 M C 0.509 176.703 176.300 -0.177 0.000 0.849 292 M CA 0.206 55.425 55.300 -0.134 0.000 1.057 292 M CB -0.206 32.257 32.600 -0.227 0.000 2.104 292 M HN 0.209 nan 8.290 nan 0.000 0.794 293 Q N 1.357 121.044 119.800 -0.187 0.000 2.096 293 Q HA 0.051 4.391 4.340 0.001 0.000 0.197 293 Q C 1.270 177.259 176.000 -0.018 0.000 0.964 293 Q CA 1.226 56.922 55.803 -0.178 0.000 0.838 293 Q CB -0.131 28.341 28.738 -0.443 0.000 0.906 293 Q HN 0.503 nan 8.270 nan 0.000 0.444 294 E N 0.555 120.784 120.200 0.049 0.000 2.455 294 E HA -0.152 4.198 4.350 0.001 0.000 0.202 294 E C 1.579 178.197 176.600 0.031 0.000 1.045 294 E CA 0.613 57.057 56.400 0.074 0.000 0.872 294 E CB 0.032 29.785 29.700 0.088 0.000 0.792 294 E HN 0.270 nan 8.360 nan 0.000 0.542 295 R N -0.408 120.087 120.500 -0.008 0.000 2.175 295 R HA 0.234 4.575 4.340 0.001 0.000 0.202 295 R C 1.039 177.321 176.300 -0.031 0.000 1.018 295 R CA 0.029 56.119 56.100 -0.017 0.000 1.029 295 R CB 0.406 30.686 30.300 -0.035 0.000 0.959 295 R HN 0.054 nan 8.270 nan 0.000 0.480 296 I N 2.119 122.655 120.570 -0.056 0.000 2.366 296 I HA -0.002 4.168 4.170 0.001 0.000 0.302 296 I C 0.242 176.332 176.117 -0.044 0.000 1.194 296 I CA 0.395 61.654 61.300 -0.069 0.000 1.667 296 I CB -0.026 37.908 38.000 -0.109 0.000 1.501 296 I HN 0.054 nan 8.210 nan 0.000 0.776 297 T N 2.327 116.866 114.554 -0.024 0.000 2.669 297 T HA 0.435 4.785 4.350 0.001 0.000 0.283 297 T C -0.482 174.214 174.700 -0.008 0.000 1.019 297 T CA -0.259 61.836 62.100 -0.008 0.000 1.039 297 T CB 2.218 71.095 68.868 0.014 0.000 1.374 297 T HN 0.213 nan 8.240 nan 0.000 0.523 298 T N 2.037 116.591 114.554 -0.001 0.000 2.847 298 T HA 0.563 4.913 4.350 0.001 0.000 0.291 298 T C -0.102 174.599 174.700 0.002 0.000 0.998 298 T CA -0.592 61.508 62.100 0.000 0.000 0.967 298 T CB 0.899 69.766 68.868 -0.002 0.000 0.954 298 T HN 0.834 nan 8.240 nan 0.000 0.441 299 T N 1.267 115.822 114.554 0.002 0.000 2.824 299 T HA 0.403 4.753 4.350 0.001 0.000 0.277 299 T C 1.538 176.232 174.700 -0.010 0.000 0.975 299 T CA -0.935 61.162 62.100 -0.004 0.000 0.966 299 T CB 1.012 69.880 68.868 -0.000 0.000 1.054 299 T HN 0.285 nan 8.240 nan 0.000 0.533 300 K N 0.605 120.993 120.400 -0.019 0.000 2.032 300 K HA -0.116 4.205 4.320 0.001 0.000 0.209 300 K C 2.195 178.787 176.600 -0.013 0.000 1.048 300 K CA 1.368 57.642 56.287 -0.020 0.000 0.927 300 K CB -0.326 32.157 32.500 -0.029 0.000 0.712 300 K HN 0.580 nan 8.250 nan 0.000 0.441 301 K N 0.293 120.687 120.400 -0.011 0.000 2.113 301 K HA -0.110 4.211 4.320 0.001 0.000 0.208 301 K C 1.403 178.000 176.600 -0.005 0.000 1.047 301 K CA 1.294 57.575 56.287 -0.010 0.000 0.928 301 K CB -0.042 32.451 32.500 -0.011 0.000 0.716 301 K HN 0.258 nan 8.250 nan 0.000 0.446 302 G N -0.333 108.468 108.800 0.003 0.000 2.645 302 G HA2 0.355 4.316 3.960 0.001 0.000 0.292 302 G HA3 0.355 4.316 3.960 0.001 0.000 0.292 302 G C -1.585 173.327 174.900 0.019 0.000 1.415 302 G CA -0.517 44.592 45.100 0.015 0.000 0.785 302 G HN 0.080 nan 8.290 nan 0.000 0.483 303 S N -1.030 114.689 115.700 0.031 0.000 2.538 303 S HA 0.768 5.238 4.470 0.001 0.000 0.288 303 S C -0.910 173.706 174.600 0.026 0.000 1.108 303 S CA -0.720 57.494 58.200 0.024 0.000 0.971 303 S CB 1.513 64.729 63.200 0.026 0.000 1.041 303 S HN 0.674 nan 8.310 nan 0.000 0.483 304 I N 2.720 123.288 120.570 -0.004 0.000 2.448 304 I HA 0.244 4.415 4.170 0.001 0.000 0.281 304 I C -0.033 176.035 176.117 -0.082 0.000 1.027 304 I CA -0.535 60.744 61.300 -0.035 0.000 1.111 304 I CB 1.834 39.808 38.000 -0.042 0.000 1.236 304 I HN 0.573 nan 8.210 nan 0.000 0.452 305 T N 4.609 119.093 114.554 -0.116 0.000 2.817 305 T HA 0.150 4.501 4.350 0.001 0.000 0.295 305 T C 0.364 174.891 174.700 -0.288 0.000 0.958 305 T CA 0.028 62.019 62.100 -0.182 0.000 1.157 305 T CB 0.210 68.956 68.868 -0.203 0.000 0.898 305 T HN 0.710 nan 8.240 nan 0.000 0.536 306 S N 2.831 118.365 115.700 -0.278 0.000 2.449 306 S HA 0.592 5.062 4.470 0.001 0.000 0.310 306 S C -0.507 173.860 174.600 -0.387 0.000 1.096 306 S CA -0.857 57.145 58.200 -0.330 0.000 1.095 306 S CB 1.464 64.530 63.200 -0.223 0.000 1.007 306 S HN 0.351 nan 8.310 nan 0.000 0.474 307 V N 3.931 123.555 119.914 -0.482 0.000 2.266 307 V HA 0.317 4.438 4.120 0.001 0.000 0.271 307 V C -0.165 175.773 176.094 -0.260 0.000 1.032 307 V CA -0.458 61.613 62.300 -0.382 0.000 0.806 307 V CB 0.493 32.104 31.823 -0.355 0.000 1.052 307 V HN 0.921 nan 8.190 nan 0.000 0.449 308 Q N 2.369 122.021 119.800 -0.247 0.000 2.299 308 Q HA 0.718 5.058 4.340 0.001 0.000 0.246 308 Q C 0.104 175.974 176.000 -0.216 0.000 0.935 308 Q CA -0.095 55.574 55.803 -0.223 0.000 0.887 308 Q CB 1.745 30.345 28.738 -0.230 0.000 1.223 308 Q HN 0.826 nan 8.270 nan 0.000 0.439 309 A N 2.560 125.272 122.820 -0.181 0.000 2.318 309 A HA 0.610 4.931 4.320 0.001 0.000 0.317 309 A C -1.092 176.392 177.584 -0.167 0.000 1.159 309 A CA -0.612 51.328 52.037 -0.162 0.000 0.799 309 A CB 0.416 19.371 19.000 -0.075 0.000 1.194 309 A HN 0.598 nan 8.150 nan 0.000 0.479 310 I N 2.392 122.787 120.570 -0.291 0.000 2.354 310 I HA 0.244 4.415 4.170 0.001 0.000 0.292 310 I C -0.272 175.788 176.117 -0.094 0.000 0.989 310 I CA -0.533 60.623 61.300 -0.240 0.000 1.188 310 I CB 1.059 38.702 38.000 -0.596 0.000 1.342 310 I HN 0.611 nan 8.210 nan 0.000 0.457 311 Y N 6.743 126.944 120.300 -0.165 0.000 2.425 311 Y HA 0.415 4.965 4.550 0.001 0.000 0.331 311 Y C -0.199 175.461 175.900 -0.400 0.000 1.157 311 Y CA -0.522 57.375 58.100 -0.338 0.000 1.372 311 Y CB 0.844 38.947 38.460 -0.594 0.000 1.253 311 Y HN 0.339 nan 8.280 nan 0.000 0.536 312 V N 9.213 128.673 119.914 -0.757 0.000 2.304 312 V HA 0.260 4.380 4.120 0.001 0.000 0.269 312 V C -2.282 173.167 176.094 -1.076 0.000 1.036 312 V CA -2.169 59.752 62.300 -0.632 0.000 0.840 312 V CB 0.621 32.295 31.823 -0.248 0.000 1.036 312 V HN 0.721 nan 8.190 nan 0.000 0.466 313 P HA 0.145 nan 4.420 nan 0.000 0.254 313 P C 0.705 177.817 177.300 -0.313 0.000 1.186 313 P CA 1.007 63.721 63.100 -0.643 0.000 0.868 313 P CB 0.376 32.011 31.700 -0.109 0.000 0.856 314 A N 4.156 126.817 122.820 -0.265 0.000 3.028 314 A HA -0.236 4.085 4.320 0.001 0.000 0.248 314 A C 0.966 178.486 177.584 -0.106 0.000 1.316 314 A CA 0.998 52.980 52.037 -0.090 0.000 1.003 314 A CB -2.561 16.422 19.000 -0.027 0.000 1.148 314 A HN 0.503 nan 8.150 nan 0.000 0.828 315 D N -2.065 118.222 120.400 -0.187 0.000 2.911 315 D HA -0.153 4.487 4.640 0.001 0.000 0.199 315 D C -0.194 176.055 176.300 -0.084 0.000 1.041 315 D CA 1.895 55.822 54.000 -0.121 0.000 1.013 315 D CB -1.437 39.326 40.800 -0.062 0.000 1.093 315 D HN 0.889 nan 8.370 nan 0.000 0.431 316 D N 0.684 121.033 120.400 -0.085 0.000 2.435 316 D HA 0.148 4.788 4.640 0.001 0.000 0.230 316 D C 1.460 177.747 176.300 -0.021 0.000 1.215 316 D CA -0.132 53.844 54.000 -0.040 0.000 0.947 316 D CB -0.059 40.729 40.800 -0.019 0.000 1.048 316 D HN 0.233 nan 8.370 nan 0.000 0.512 317 L N 2.553 123.773 121.223 -0.006 0.000 2.661 317 L HA -0.143 4.197 4.340 0.001 0.000 0.236 317 L C 2.021 178.932 176.870 0.069 0.000 1.176 317 L CA 1.299 56.166 54.840 0.045 0.000 0.836 317 L CB -0.563 41.512 42.059 0.026 0.000 0.960 317 L HN 0.458 nan 8.230 nan 0.000 0.455 318 T N -5.948 108.627 114.554 0.035 0.000 3.023 318 T HA -0.008 4.342 4.350 0.001 0.000 0.253 318 T C 0.748 175.480 174.700 0.053 0.000 1.038 318 T CA -0.493 61.629 62.100 0.037 0.000 0.962 318 T CB -0.064 68.811 68.868 0.012 0.000 1.018 318 T HN 0.170 nan 8.240 nan 0.000 0.521 319 D N 3.305 123.740 120.400 0.058 0.000 2.472 319 D HA 0.035 4.676 4.640 0.001 0.000 0.248 319 D C -1.502 174.831 176.300 0.055 0.000 1.174 319 D CA -1.302 52.754 54.000 0.094 0.000 0.883 319 D CB 1.501 42.366 40.800 0.109 0.000 1.149 319 D HN 0.048 nan 8.370 nan 0.000 0.488 320 P HA -0.204 nan 4.420 nan 0.000 0.220 320 P C 0.641 177.800 177.300 -0.236 0.000 1.142 320 P CA 1.461 64.490 63.100 -0.118 0.000 0.801 320 P CB 0.222 31.822 31.700 -0.166 0.000 0.764 321 A N 0.296 122.952 122.820 -0.273 0.000 1.831 321 A HA -0.026 4.295 4.320 0.001 0.000 0.213 321 A C -0.152 177.477 177.584 0.075 0.000 1.223 321 A CA 1.453 53.422 52.037 -0.114 0.000 0.604 321 A CB -1.956 17.144 19.000 0.166 0.000 0.878 321 A HN 0.175 nan 8.150 nan 0.000 0.450 322 P HA -0.121 nan 4.420 nan 0.000 0.219 322 P C 1.538 178.944 177.300 0.176 0.000 1.146 322 P CA 1.930 65.146 63.100 0.194 0.000 0.808 322 P CB -0.182 31.639 31.700 0.201 0.000 0.779 323 A N 0.070 122.995 122.820 0.176 0.000 1.883 323 A HA -0.159 4.162 4.320 0.001 0.000 0.217 323 A C 2.340 180.080 177.584 0.260 0.000 1.186 323 A CA 2.497 54.687 52.037 0.256 0.000 0.624 323 A CB -1.922 17.158 19.000 0.133 0.000 0.822 323 A HN 0.187 nan 8.150 nan 0.000 0.444 324 T N -0.518 114.128 114.554 0.152 0.000 2.995 324 T HA -0.056 4.294 4.350 0.001 0.000 0.269 324 T C 1.871 176.717 174.700 0.244 0.000 1.091 324 T CA 1.598 63.795 62.100 0.162 0.000 1.128 324 T CB -0.349 68.574 68.868 0.092 0.000 0.891 324 T HN 0.542 nan 8.240 nan 0.000 0.492 325 T N 1.605 116.273 114.554 0.190 0.000 2.788 325 T HA -0.010 4.340 4.350 0.001 0.000 0.268 325 T C 1.490 176.345 174.700 0.258 0.000 1.044 325 T CA 0.923 63.125 62.100 0.171 0.000 1.139 325 T CB -0.496 68.394 68.868 0.036 0.000 0.867 325 T HN 0.397 nan 8.240 nan 0.000 0.454 326 F N 1.668 121.806 119.950 0.312 0.000 2.154 326 F HA -0.144 4.383 4.527 0.001 0.000 0.301 326 F C 2.672 178.543 175.800 0.119 0.000 1.087 326 F CA 0.848 58.968 58.000 0.200 0.000 1.274 326 F CB -0.507 38.500 39.000 0.012 0.000 1.009 326 F HN 0.135 nan 8.300 nan 0.000 0.485 327 A N -0.840 122.136 122.820 0.259 0.000 1.948 327 A HA -0.230 4.091 4.320 0.001 0.000 0.220 327 A C 1.535 179.102 177.584 -0.029 0.000 1.177 327 A CA 1.643 53.709 52.037 0.049 0.000 0.636 327 A CB -1.048 17.903 19.000 -0.081 0.000 0.815 327 A HN 0.489 nan 8.150 nan 0.000 0.449 328 H N -1.053 118.077 119.070 0.100 0.000 2.592 328 H HA 0.380 4.937 4.556 0.001 0.000 0.291 328 H C -0.257 175.103 175.328 0.053 0.000 1.052 328 H CA 0.168 56.250 56.048 0.058 0.000 1.175 328 H CB -0.294 29.485 29.762 0.029 0.000 1.378 328 H HN 0.318 nan 8.280 nan 0.000 0.576 329 L N -0.374 120.949 121.223 0.167 0.000 2.309 329 L HA 0.255 4.595 4.340 0.001 0.000 0.261 329 L C 0.507 177.443 176.870 0.111 0.000 1.021 329 L CA -0.604 54.318 54.840 0.137 0.000 0.823 329 L CB 2.222 44.396 42.059 0.192 0.000 1.366 329 L HN -0.037 nan 8.230 nan 0.000 0.423 330 D N 0.241 120.695 120.400 0.090 0.000 2.479 330 D HA 0.306 4.946 4.640 0.001 0.000 0.221 330 D C -0.097 176.269 176.300 0.109 0.000 1.104 330 D CA 0.435 54.484 54.000 0.082 0.000 0.849 330 D CB 1.867 42.701 40.800 0.057 0.000 1.072 330 D HN 0.483 nan 8.370 nan 0.000 0.502 331 A N 0.896 123.797 122.820 0.135 0.000 2.480 331 A HA 0.505 4.825 4.320 0.001 0.000 0.289 331 A C -0.634 177.090 177.584 0.233 0.000 1.044 331 A CA -0.620 51.536 52.037 0.198 0.000 0.761 331 A CB 1.214 20.382 19.000 0.279 0.000 1.289 331 A HN -0.065 nan 8.150 nan 0.000 0.401 332 T N -0.286 114.434 114.554 0.277 0.000 2.809 332 T HA 0.683 5.033 4.350 0.001 0.000 0.284 332 T C -0.384 174.521 174.700 0.340 0.000 0.992 332 T CA -0.379 61.934 62.100 0.355 0.000 0.957 332 T CB 1.197 70.349 68.868 0.473 0.000 0.942 332 T HN 0.516 nan 8.240 nan 0.000 0.439 333 T N 3.846 118.618 114.554 0.364 0.000 2.733 333 T HA 0.501 4.852 4.350 0.001 0.000 0.294 333 T C -0.132 174.756 174.700 0.314 0.000 0.956 333 T CA -0.470 61.813 62.100 0.305 0.000 0.987 333 T CB 0.829 69.895 68.868 0.330 0.000 0.920 333 T HN 0.640 nan 8.240 nan 0.000 0.470 334 V N 5.315 125.377 119.914 0.247 0.000 2.398 334 V HA 0.384 4.504 4.120 0.001 0.000 0.286 334 V C -0.335 175.847 176.094 0.147 0.000 1.026 334 V CA -0.881 61.562 62.300 0.238 0.000 0.868 334 V CB 1.437 33.358 31.823 0.162 0.000 0.982 334 V HN 0.604 nan 8.190 nan 0.000 0.443 335 L N 4.499 125.810 121.223 0.146 0.000 2.312 335 L HA 0.546 4.886 4.340 0.001 0.000 0.281 335 L C 0.438 177.335 176.870 0.045 0.000 1.070 335 L CA 0.567 55.458 54.840 0.085 0.000 0.805 335 L CB 1.764 43.880 42.059 0.094 0.000 1.174 335 L HN 0.775 nan 8.230 nan 0.000 0.434 336 S N 3.559 119.261 115.700 0.003 0.000 2.449 336 S HA 0.444 4.914 4.470 0.001 0.000 0.310 336 S C 0.951 175.521 174.600 -0.049 0.000 1.096 336 S CA -0.697 57.489 58.200 -0.022 0.000 1.095 336 S CB 1.253 64.432 63.200 -0.035 0.000 1.007 336 S HN 0.675 nan 8.310 nan 0.000 0.474 337 R N 4.071 124.549 120.500 -0.036 0.000 2.073 337 R HA -0.000 4.340 4.340 0.001 0.000 0.234 337 R C 2.236 178.494 176.300 -0.070 0.000 1.134 337 R CA 2.095 58.168 56.100 -0.045 0.000 0.952 337 R CB -1.007 29.279 30.300 -0.022 0.000 0.850 337 R HN 0.831 nan 8.270 nan 0.000 0.433 338 A N 0.557 123.341 122.820 -0.060 0.000 1.978 338 A HA -0.128 4.193 4.320 0.001 0.000 0.220 338 A C 2.185 179.715 177.584 -0.091 0.000 1.170 338 A CA 1.601 53.600 52.037 -0.065 0.000 0.636 338 A CB -0.561 18.407 19.000 -0.052 0.000 0.810 338 A HN 0.435 nan 8.150 nan 0.000 0.448 339 I N -0.752 119.753 120.570 -0.108 0.000 2.233 339 I HA -0.194 3.976 4.170 0.001 0.000 0.243 339 I C 2.997 178.966 176.117 -0.246 0.000 1.093 339 I CA 0.881 62.096 61.300 -0.142 0.000 1.380 339 I CB -0.421 37.506 38.000 -0.122 0.000 1.067 339 I HN 0.346 nan 8.210 nan 0.000 0.413 340 A N 0.427 123.055 122.820 -0.320 0.000 1.883 340 A HA -0.291 4.030 4.320 0.001 0.000 0.217 340 A C 2.223 179.554 177.584 -0.423 0.000 1.186 340 A CA 2.007 53.667 52.037 -0.628 0.000 0.624 340 A CB -0.762 17.941 19.000 -0.496 0.000 0.822 340 A HN 0.449 nan 8.150 nan 0.000 0.444 341 E N -0.589 119.492 120.200 -0.199 0.000 2.273 341 E HA -0.155 4.195 4.350 0.001 0.000 0.198 341 E C 0.968 177.516 176.600 -0.088 0.000 1.002 341 E CA 0.777 57.119 56.400 -0.096 0.000 0.828 341 E CB -0.061 29.604 29.700 -0.058 0.000 0.747 341 E HN 0.456 nan 8.360 nan 0.000 0.491 342 L N -0.866 120.279 121.223 -0.131 0.000 2.591 342 L HA 0.201 4.541 4.340 0.001 0.000 0.228 342 L C 1.636 178.425 176.870 -0.135 0.000 1.133 342 L CA 1.149 55.920 54.840 -0.115 0.000 0.880 342 L CB -0.722 41.265 42.059 -0.120 0.000 1.033 342 L HN 0.327 nan 8.230 nan 0.000 0.450 343 G N 0.363 109.081 108.800 -0.136 0.000 2.176 343 G HA2 -0.271 3.689 3.960 0.001 0.000 0.253 343 G HA3 -0.271 3.689 3.960 0.001 0.000 0.253 343 G C 0.589 175.480 174.900 -0.015 0.000 0.979 343 G CA -0.116 44.985 45.100 0.001 0.000 0.641 343 G HN 0.322 nan 8.290 nan 0.000 0.530 344 I N 2.007 122.455 120.570 -0.204 0.000 2.270 344 I HA 0.252 4.423 4.170 0.001 0.000 0.300 344 I C 0.248 176.238 176.117 -0.212 0.000 1.186 344 I CA -0.136 61.089 61.300 -0.125 0.000 1.431 344 I CB -0.729 37.190 38.000 -0.136 0.000 1.485 344 I HN 0.072 nan 8.210 nan 0.000 0.650 345 Y N 6.172 126.468 120.300 -0.006 0.000 2.320 345 Y HA 0.296 4.846 4.550 0.001 0.000 0.324 345 Y C -1.748 174.043 175.900 -0.182 0.000 1.190 345 Y CA -2.492 55.539 58.100 -0.115 0.000 1.215 345 Y CB 0.615 38.989 38.460 -0.144 0.000 1.221 345 Y HN 0.350 nan 8.280 nan 0.000 0.486 346 P HA 0.091 nan 4.420 nan 0.000 0.276 346 P C -0.715 176.548 177.300 -0.063 0.000 1.243 346 P CA -0.198 62.819 63.100 -0.137 0.000 0.768 346 P CB 0.945 32.483 31.700 -0.270 0.000 0.856 347 A N 4.664 127.436 122.820 -0.080 0.000 3.065 347 A HA 0.161 4.482 4.320 0.001 0.000 0.262 347 A C 0.518 178.080 177.584 -0.037 0.000 1.901 347 A CA -0.118 51.843 52.037 -0.128 0.000 1.475 347 A CB -1.277 17.596 19.000 -0.212 0.000 0.984 347 A HN 0.406 nan 8.150 nan 0.000 0.618 348 V N 1.608 121.515 119.914 -0.011 0.000 2.461 348 V HA 0.080 4.200 4.120 0.001 0.000 0.275 348 V C 0.378 176.475 176.094 0.004 0.000 1.047 348 V CA -0.583 61.730 62.300 0.023 0.000 0.955 348 V CB 1.343 33.189 31.823 0.039 0.000 0.988 348 V HN 0.652 nan 8.190 nan 0.000 0.471 349 D N 7.995 128.403 120.400 0.013 0.000 2.344 349 D HA 0.169 4.809 4.640 0.001 0.000 0.253 349 D C -1.339 174.957 176.300 -0.006 0.000 1.255 349 D CA -2.017 51.982 54.000 -0.003 0.000 0.894 349 D CB 1.634 42.432 40.800 -0.003 0.000 1.067 349 D HN 0.294 nan 8.370 nan 0.000 0.492 350 P HA -0.035 nan 4.420 nan 0.000 0.239 350 P C 0.678 177.956 177.300 -0.037 0.000 1.184 350 P CA 0.511 63.594 63.100 -0.029 0.000 0.760 350 P CB 0.220 31.901 31.700 -0.030 0.000 0.884 351 L N -1.521 119.683 121.223 -0.032 0.000 3.184 351 L HA 0.360 4.701 4.340 0.001 0.000 0.283 351 L C 0.976 177.816 176.870 -0.049 0.000 1.218 351 L CA 0.181 54.996 54.840 -0.042 0.000 1.028 351 L CB 0.306 42.341 42.059 -0.041 0.000 1.400 351 L HN -0.228 nan 8.230 nan 0.000 0.591 352 D N -0.949 119.428 120.400 -0.038 0.000 2.525 352 D HA 0.154 4.794 4.640 0.001 0.000 0.231 352 D C 0.101 176.392 176.300 -0.016 0.000 1.216 352 D CA 0.298 54.267 54.000 -0.052 0.000 0.813 352 D CB 0.903 41.673 40.800 -0.049 0.000 1.108 352 D HN -0.071 nan 8.370 nan 0.000 0.524 353 S N -0.345 115.360 115.700 0.008 0.000 2.489 353 S HA 0.647 5.118 4.470 0.001 0.000 0.291 353 S C -0.127 174.492 174.600 0.032 0.000 1.151 353 S CA -0.514 57.717 58.200 0.053 0.000 1.082 353 S CB 2.023 65.259 63.200 0.059 0.000 1.019 353 S HN 0.200 nan 8.310 nan 0.000 0.492 354 T N 0.096 114.693 114.554 0.071 0.000 2.956 354 T HA 0.664 5.014 4.350 0.001 0.000 0.312 354 T C -1.045 173.708 174.700 0.089 0.000 1.151 354 T CA -0.564 61.566 62.100 0.051 0.000 1.024 354 T CB 1.756 70.642 68.868 0.030 0.000 1.140 354 T HN 0.435 nan 8.240 nan 0.000 0.473 355 S N 1.681 117.419 115.700 0.063 0.000 2.568 355 S HA 0.506 4.977 4.470 0.001 0.000 0.293 355 S C 0.939 175.575 174.600 0.060 0.000 1.089 355 S CA -0.822 57.426 58.200 0.080 0.000 0.945 355 S CB 1.956 65.195 63.200 0.064 0.000 1.077 355 S HN 0.875 nan 8.310 nan 0.000 0.485 356 R N 2.045 122.585 120.500 0.066 0.000 2.119 356 R HA 0.134 4.474 4.340 0.001 0.000 0.222 356 R C 1.514 177.837 176.300 0.039 0.000 1.088 356 R CA 1.592 57.722 56.100 0.050 0.000 0.984 356 R CB -0.328 30.003 30.300 0.051 0.000 0.884 356 R HN 0.814 nan 8.270 nan 0.000 0.447 357 I N -1.168 119.425 120.570 0.039 0.000 3.812 357 I HA 0.223 4.393 4.170 0.001 0.000 0.319 357 I C 0.217 176.337 176.117 0.005 0.000 1.353 357 I CA -0.251 61.064 61.300 0.024 0.000 1.170 357 I CB 0.304 38.323 38.000 0.031 0.000 1.057 357 I HN -0.020 nan 8.210 nan 0.000 0.411 358 M N 2.576 122.186 119.600 0.017 0.000 3.422 358 M HA 0.365 4.845 4.480 0.001 0.000 0.248 358 M C -1.037 175.351 176.300 0.148 0.000 1.433 358 M CA -0.069 55.248 55.300 0.028 0.000 1.592 358 M CB -0.993 31.609 32.600 0.004 0.000 1.078 358 M HN 0.213 nan 8.290 nan 0.000 0.578 359 D N 2.912 123.348 120.400 0.060 0.000 2.757 359 D HA 0.464 5.104 4.640 0.001 0.000 0.249 359 D C -2.160 174.068 176.300 -0.121 0.000 1.168 359 D CA -1.837 52.132 54.000 -0.052 0.000 0.870 359 D CB 2.421 43.191 40.800 -0.051 0.000 1.411 359 D HN 0.132 nan 8.370 nan 0.000 0.525 360 P HA -0.115 nan 4.420 nan 0.000 0.218 360 P C 0.256 177.487 177.300 -0.115 0.000 1.146 360 P CA 0.798 63.748 63.100 -0.250 0.000 0.813 360 P CB 0.285 31.719 31.700 -0.443 0.000 0.778 361 N N -0.556 118.073 118.700 -0.117 0.000 2.416 361 N HA 0.118 4.858 4.740 0.001 0.000 0.215 361 N C 1.229 176.720 175.510 -0.032 0.000 1.208 361 N CA 0.384 53.397 53.050 -0.062 0.000 0.834 361 N CB 0.204 38.653 38.487 -0.063 0.000 1.072 361 N HN 0.348 nan 8.380 nan 0.000 0.472 362 I N -1.208 119.349 120.570 -0.022 0.000 5.139 362 I HA -0.052 4.118 4.170 0.001 0.000 0.334 362 I C 1.060 177.190 176.117 0.022 0.000 1.217 362 I CA 0.326 61.626 61.300 0.000 0.000 1.448 362 I CB 0.681 38.679 38.000 -0.003 0.000 1.538 362 I HN -0.093 nan 8.210 nan 0.000 0.527 363 V N -1.591 118.334 119.914 0.018 0.000 3.432 363 V HA 0.692 4.812 4.120 0.001 0.000 0.298 363 V C 0.730 176.901 176.094 0.129 0.000 1.464 363 V CA 0.148 62.487 62.300 0.064 0.000 1.046 363 V CB -0.035 31.705 31.823 -0.137 0.000 0.887 363 V HN 0.416 nan 8.190 nan 0.000 0.441 364 G N 0.678 109.524 108.800 0.077 0.000 2.692 364 G HA2 -0.123 3.837 3.960 0.001 0.000 0.686 364 G HA3 -0.123 3.837 3.960 0.001 0.000 0.686 364 G C 0.173 175.140 174.900 0.112 0.000 1.243 364 G CA -0.101 45.051 45.100 0.087 0.000 0.782 364 G HN 0.395 nan 8.290 nan 0.000 0.625 365 S N -0.219 115.529 115.700 0.081 0.000 2.447 365 S HA -0.038 4.433 4.470 0.001 0.000 0.233 365 S C 1.844 176.533 174.600 0.149 0.000 1.006 365 S CA 1.654 59.914 58.200 0.100 0.000 0.957 365 S CB 0.050 63.281 63.200 0.052 0.000 0.773 365 S HN 0.693 nan 8.310 nan 0.000 0.507 366 E N 0.916 121.199 120.200 0.139 0.000 2.016 366 E HA -0.164 4.187 4.350 0.001 0.000 0.190 366 E C 1.858 178.570 176.600 0.187 0.000 0.985 366 E CA 0.740 57.220 56.400 0.133 0.000 0.802 366 E CB -0.202 29.559 29.700 0.101 0.000 0.762 366 E HN 0.705 nan 8.360 nan 0.000 0.448 367 H N -1.055 118.064 119.070 0.082 0.000 2.287 367 H HA -0.267 4.289 4.556 0.001 0.000 0.292 367 H C 2.206 177.579 175.328 0.075 0.000 1.068 367 H CA 2.045 58.135 56.048 0.069 0.000 1.192 367 H CB -0.347 29.457 29.762 0.069 0.000 1.360 367 H HN 0.250 nan 8.280 nan 0.000 0.516 368 Y N 1.650 121.994 120.300 0.072 0.000 1.977 368 Y HA -0.363 4.187 4.550 0.001 0.000 0.264 368 Y C 2.388 178.301 175.900 0.021 0.000 1.167 368 Y CA 2.304 60.385 58.100 -0.032 0.000 1.102 368 Y CB -0.684 37.745 38.460 -0.052 0.000 0.948 368 Y HN 0.402 nan 8.280 nan 0.000 0.489 369 D N -0.627 119.947 120.400 0.289 0.000 2.203 369 D HA -0.203 4.438 4.640 0.001 0.000 0.199 369 D C 2.252 178.572 176.300 0.034 0.000 0.997 369 D CA 1.663 55.761 54.000 0.163 0.000 0.863 369 D CB -0.436 40.465 40.800 0.167 0.000 0.928 369 D HN 0.334 nan 8.370 nan 0.000 0.458 370 V N 0.587 120.535 119.914 0.056 0.000 2.407 370 V HA -0.134 3.986 4.120 0.001 0.000 0.245 370 V C 2.378 178.457 176.094 -0.025 0.000 1.041 370 V CA 1.452 63.777 62.300 0.042 0.000 1.040 370 V CB -0.644 31.232 31.823 0.087 0.000 0.671 370 V HN 0.203 nan 8.190 nan 0.000 0.455 371 A N 0.302 123.087 122.820 -0.059 0.000 1.841 371 A HA -0.230 4.090 4.320 0.001 0.000 0.216 371 A C 2.324 179.789 177.584 -0.199 0.000 1.199 371 A CA 1.740 53.687 52.037 -0.149 0.000 0.621 371 A CB -0.575 18.322 19.000 -0.171 0.000 0.835 371 A HN 0.372 nan 8.150 nan 0.000 0.445 372 R N -0.543 119.773 120.500 -0.307 0.000 2.127 372 R HA -0.134 4.206 4.340 0.001 0.000 0.238 372 R C 2.277 178.497 176.300 -0.134 0.000 1.134 372 R CA 1.275 57.208 56.100 -0.279 0.000 0.975 372 R CB -1.401 28.647 30.300 -0.420 0.000 0.865 372 R HN 0.590 nan 8.270 nan 0.000 0.447 373 G N 0.170 108.918 108.800 -0.088 0.000 2.402 373 G HA2 -0.169 3.791 3.960 0.001 0.000 0.216 373 G HA3 -0.169 3.791 3.960 0.001 0.000 0.216 373 G C 1.576 176.465 174.900 -0.019 0.000 1.162 373 G CA 0.669 45.751 45.100 -0.031 0.000 0.777 373 G HN 0.167 nan 8.290 nan 0.000 0.539 374 V N 0.382 120.278 119.914 -0.029 0.000 2.270 374 V HA -0.244 3.876 4.120 0.001 0.000 0.245 374 V C 2.825 178.900 176.094 -0.032 0.000 1.043 374 V CA 2.184 64.475 62.300 -0.014 0.000 1.014 374 V CB -0.798 30.979 31.823 -0.077 0.000 0.645 374 V HN 0.378 nan 8.190 nan 0.000 0.447 375 Q N -0.139 119.617 119.800 -0.073 0.000 2.096 375 Q HA -0.317 4.023 4.340 0.001 0.000 0.208 375 Q C 2.398 178.377 176.000 -0.036 0.000 0.993 375 Q CA 2.403 58.167 55.803 -0.065 0.000 0.862 375 Q CB -0.269 28.410 28.738 -0.097 0.000 0.915 375 Q HN 0.599 nan 8.270 nan 0.000 0.416 376 K N 0.710 121.089 120.400 -0.036 0.000 1.978 376 K HA -0.194 4.126 4.320 0.001 0.000 0.214 376 K C 2.046 178.649 176.600 0.005 0.000 1.049 376 K CA 1.554 57.830 56.287 -0.017 0.000 0.939 376 K CB -0.355 32.136 32.500 -0.016 0.000 0.721 376 K HN 0.243 nan 8.250 nan 0.000 0.441 377 I N 1.190 121.767 120.570 0.013 0.000 2.264 377 I HA -0.298 3.873 4.170 0.001 0.000 0.248 377 I C 1.920 178.075 176.117 0.064 0.000 1.111 377 I CA 1.195 62.514 61.300 0.031 0.000 1.382 377 I CB 0.034 38.047 38.000 0.022 0.000 1.060 377 I HN 0.290 nan 8.210 nan 0.000 0.418 378 L N 0.165 121.422 121.223 0.057 0.000 2.046 378 L HA -0.245 4.096 4.340 0.001 0.000 0.208 378 L C 2.630 179.551 176.870 0.085 0.000 1.077 378 L CA 1.417 56.315 54.840 0.096 0.000 0.747 378 L CB -0.803 41.292 42.059 0.060 0.000 0.896 378 L HN 0.333 nan 8.230 nan 0.000 0.432 379 Q N 0.539 120.358 119.800 0.032 0.000 2.084 379 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 379 Q C 1.667 177.672 176.000 0.008 0.000 0.978 379 Q CA 1.933 57.738 55.803 0.004 0.000 0.844 379 Q CB -0.147 28.583 28.738 -0.013 0.000 0.898 379 Q HN 0.388 nan 8.270 nan 0.000 0.426 380 D N -0.941 119.479 120.400 0.033 0.000 2.117 380 D HA -0.156 4.484 4.640 0.001 0.000 0.198 380 D C 1.552 177.889 176.300 0.062 0.000 0.982 380 D CA 1.179 55.200 54.000 0.035 0.000 0.828 380 D CB -0.489 40.336 40.800 0.041 0.000 0.967 380 D HN 0.390 nan 8.370 nan 0.000 0.464 381 Y N 1.865 122.152 120.300 -0.022 0.000 2.224 381 Y HA -0.152 4.399 4.550 0.000 0.000 0.289 381 Y C 2.040 177.925 175.900 -0.024 0.000 1.146 381 Y CA 1.441 59.527 58.100 -0.023 0.000 1.182 381 Y CB -0.131 38.315 38.460 -0.024 0.000 0.983 381 Y HN -0.184 nan 8.280 nan 0.000 0.524 382 K N -0.522 119.744 120.400 -0.223 0.000 2.211 382 K HA -0.144 4.176 4.320 0.001 0.000 0.204 382 K C 2.148 178.618 176.600 -0.216 0.000 1.047 382 K CA 1.425 57.542 56.287 -0.283 0.000 0.935 382 K CB -0.118 32.302 32.500 -0.133 0.000 0.728 382 K HN 0.312 nan 8.250 nan 0.000 0.452 383 S N 0.823 116.443 115.700 -0.133 0.000 2.395 383 S HA 0.033 4.503 4.470 0.001 0.000 0.225 383 S C 1.532 176.078 174.600 -0.090 0.000 1.027 383 S CA 0.592 58.739 58.200 -0.089 0.000 0.965 383 S CB 0.025 63.197 63.200 -0.047 0.000 0.812 383 S HN 0.260 nan 8.310 nan 0.000 0.482 384 L N 1.489 122.659 121.223 -0.088 0.000 2.622 384 L HA 0.054 4.394 4.340 0.001 0.000 0.233 384 L C 2.296 179.102 176.870 -0.108 0.000 1.156 384 L CA 0.444 55.247 54.840 -0.061 0.000 0.866 384 L CB -0.412 41.652 42.059 0.009 0.000 0.980 384 L HN 0.311 nan 8.230 nan 0.000 0.448 385 Q N 0.947 120.628 119.800 -0.197 0.000 2.230 385 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 385 Q C 1.165 177.089 176.000 -0.127 0.000 0.963 385 Q CA 1.644 57.305 55.803 -0.237 0.000 0.866 385 Q CB 0.273 28.806 28.738 -0.342 0.000 0.931 385 Q HN 0.635 nan 8.270 nan 0.000 0.452 386 D N -1.631 118.713 120.400 -0.094 0.000 2.433 386 D HA 0.034 4.674 4.640 0.001 0.000 0.211 386 D C 1.290 177.564 176.300 -0.042 0.000 1.114 386 D CA -0.108 53.855 54.000 -0.061 0.000 0.837 386 D CB -0.087 40.679 40.800 -0.057 0.000 0.984 386 D HN 0.292 nan 8.370 nan 0.000 0.505 387 I N 1.310 121.856 120.570 -0.040 0.000 2.094 387 I HA -0.180 3.990 4.170 0.001 0.000 0.234 387 I C 2.568 178.675 176.117 -0.016 0.000 1.063 387 I CA 1.073 62.359 61.300 -0.024 0.000 1.328 387 I CB -0.215 37.775 38.000 -0.017 0.000 1.058 387 I HN 0.024 nan 8.210 nan 0.000 0.400 388 I N 0.093 120.656 120.570 -0.013 0.000 2.142 388 I HA -0.214 3.956 4.170 0.001 0.000 0.240 388 I C 2.447 178.565 176.117 0.001 0.000 1.078 388 I CA 1.944 63.246 61.300 0.004 0.000 1.343 388 I CB -0.824 37.191 38.000 0.025 0.000 1.046 388 I HN 0.080 nan 8.210 nan 0.000 0.405 389 A N 0.426 123.241 122.820 -0.008 0.000 2.239 389 A HA 0.204 4.525 4.320 0.001 0.000 0.209 389 A C 2.097 179.677 177.584 -0.008 0.000 1.171 389 A CA 0.959 52.993 52.037 -0.005 0.000 0.768 389 A CB -0.621 18.371 19.000 -0.013 0.000 0.790 389 A HN 0.661 nan 8.150 nan 0.000 0.478 390 I N -1.951 118.613 120.570 -0.010 0.000 4.439 390 I HA 0.138 4.309 4.170 0.001 0.000 0.331 390 I C -0.470 175.643 176.117 -0.006 0.000 1.345 390 I CA 0.321 61.616 61.300 -0.009 0.000 1.193 390 I CB 0.935 38.927 38.000 -0.013 0.000 1.221 390 I HN 0.130 nan 8.210 nan 0.000 0.429 391 L N 0.962 122.182 121.223 -0.005 0.000 3.186 391 L HA 0.493 4.833 4.340 0.001 0.000 0.317 391 L C 0.243 177.114 176.870 0.001 0.000 1.296 391 L CA -0.252 54.587 54.840 -0.003 0.000 0.870 391 L CB 0.984 43.040 42.059 -0.005 0.000 1.302 391 L HN 0.101 nan 8.230 nan 0.000 0.590 392 G N 0.506 109.308 108.800 0.004 0.000 3.445 392 G HA2 -0.291 3.669 3.960 0.001 0.000 0.634 392 G HA3 -0.291 3.669 3.960 0.001 0.000 0.634 392 G C 0.502 175.409 174.900 0.010 0.000 0.909 392 G CA 0.266 45.370 45.100 0.007 0.000 0.740 392 G HN 0.328 nan 8.290 nan 0.000 0.441 393 M N 1.698 121.307 119.600 0.014 0.000 2.115 393 M HA -0.069 4.411 4.480 0.001 0.000 0.258 393 M C 1.914 178.225 176.300 0.018 0.000 1.071 393 M CA 2.851 58.164 55.300 0.020 0.000 1.100 393 M CB -0.277 32.338 32.600 0.024 0.000 1.292 393 M HN 0.533 nan 8.290 nan 0.000 0.415 394 D N 0.413 120.822 120.400 0.015 0.000 2.403 394 D HA -0.110 4.530 4.640 0.001 0.000 0.227 394 D C 0.869 177.175 176.300 0.011 0.000 0.995 394 D CA 0.624 54.632 54.000 0.013 0.000 0.928 394 D CB -0.272 40.534 40.800 0.011 0.000 0.887 394 D HN 0.626 nan 8.370 nan 0.000 0.529 395 E N 0.353 120.559 120.200 0.010 0.000 2.494 395 E HA 0.050 4.400 4.350 0.001 0.000 0.193 395 E C 0.913 177.519 176.600 0.009 0.000 1.074 395 E CA 0.073 56.478 56.400 0.008 0.000 0.867 395 E CB 0.626 30.330 29.700 0.006 0.000 0.924 395 E HN 0.389 nan 8.360 nan 0.000 0.502 396 L N 0.875 122.105 121.223 0.013 0.000 2.439 396 L HA 0.133 4.473 4.340 0.001 0.000 0.259 396 L C 1.067 177.945 176.870 0.012 0.000 1.129 396 L CA -0.407 54.442 54.840 0.015 0.000 0.803 396 L CB 0.874 42.946 42.059 0.022 0.000 1.161 396 L HN -0.067 nan 8.230 nan 0.000 0.462 397 S N 0.221 115.929 115.700 0.012 0.000 2.658 397 S HA -0.051 4.420 4.470 0.001 0.000 0.249 397 S C 1.019 175.625 174.600 0.010 0.000 1.363 397 S CA -0.490 57.716 58.200 0.009 0.000 0.964 397 S CB 0.500 63.706 63.200 0.009 0.000 0.973 397 S HN 0.568 nan 8.310 nan 0.000 0.588 398 E N 0.825 121.029 120.200 0.008 0.000 2.086 398 E HA -0.045 4.306 4.350 0.001 0.000 0.190 398 E C 2.057 178.661 176.600 0.006 0.000 0.975 398 E CA 0.584 56.988 56.400 0.007 0.000 0.813 398 E CB -0.287 29.416 29.700 0.006 0.000 0.768 398 E HN 0.480 nan 8.360 nan 0.000 0.457 399 E N 1.045 121.249 120.200 0.006 0.000 2.171 399 E HA -0.188 4.163 4.350 0.001 0.000 0.197 399 E C 1.390 177.995 176.600 0.009 0.000 0.997 399 E CA 1.041 57.444 56.400 0.006 0.000 0.810 399 E CB 0.016 29.720 29.700 0.007 0.000 0.738 399 E HN 0.264 nan 8.360 nan 0.000 0.467 400 D N 0.083 120.491 120.400 0.013 0.000 2.201 400 D HA -0.058 4.582 4.640 0.001 0.000 0.209 400 D C 1.865 178.179 176.300 0.024 0.000 0.961 400 D CA 0.762 54.776 54.000 0.023 0.000 0.861 400 D CB -0.057 40.759 40.800 0.027 0.000 0.997 400 D HN 0.300 nan 8.370 nan 0.000 0.486 401 K N 0.657 121.067 120.400 0.017 0.000 2.281 401 K HA -0.111 4.209 4.320 0.001 0.000 0.203 401 K C 1.974 178.570 176.600 -0.007 0.000 1.046 401 K CA 0.690 56.983 56.287 0.010 0.000 0.938 401 K CB -0.114 32.392 32.500 0.010 0.000 0.737 401 K HN 0.058 nan 8.250 nan 0.000 0.458 402 L N 2.452 123.672 121.223 -0.006 0.000 2.068 402 L HA -0.091 4.249 4.340 0.001 0.000 0.204 402 L C 2.403 179.255 176.870 -0.030 0.000 1.076 402 L CA 2.265 57.094 54.840 -0.017 0.000 0.753 402 L CB -0.776 41.277 42.059 -0.009 0.000 0.910 402 L HN 0.435 nan 8.230 nan 0.000 0.439 403 T N -4.177 110.369 114.554 -0.013 0.000 3.072 403 T HA -0.037 4.313 4.350 0.001 0.000 0.266 403 T C 1.708 176.388 174.700 -0.033 0.000 1.127 403 T CA 1.067 63.159 62.100 -0.013 0.000 1.107 403 T CB -0.654 68.223 68.868 0.016 0.000 0.910 403 T HN 0.127 nan 8.240 nan 0.000 0.513 404 V N 1.749 121.641 119.914 -0.037 0.000 2.273 404 V HA -0.103 4.018 4.120 0.001 0.000 0.242 404 V C 3.010 178.952 176.094 -0.254 0.000 1.035 404 V CA 1.645 63.862 62.300 -0.138 0.000 1.013 404 V CB -0.988 30.828 31.823 -0.011 0.000 0.652 404 V HN 0.673 nan 8.190 nan 0.000 0.452 405 S N 0.954 116.567 115.700 -0.145 0.000 2.414 405 S HA -0.377 4.094 4.470 0.001 0.000 0.238 405 S C 2.151 176.640 174.600 -0.186 0.000 1.055 405 S CA 2.600 60.717 58.200 -0.139 0.000 1.174 405 S CB -0.539 62.615 63.200 -0.078 0.000 1.087 405 S HN 0.561 nan 8.310 nan 0.000 0.428 406 R N 1.213 121.619 120.500 -0.157 0.000 2.091 406 R HA -0.041 4.299 4.340 0.001 0.000 0.238 406 R C 2.806 178.982 176.300 -0.207 0.000 1.136 406 R CA 1.318 57.312 56.100 -0.175 0.000 0.959 406 R CB -0.942 29.291 30.300 -0.111 0.000 0.856 406 R HN 0.617 nan 8.270 nan 0.000 0.437 407 A N 1.530 124.222 122.820 -0.213 0.000 1.865 407 A HA -0.199 4.121 4.320 0.001 0.000 0.217 407 A C 2.168 179.580 177.584 -0.287 0.000 1.191 407 A CA 1.424 53.328 52.037 -0.223 0.000 0.623 407 A CB -0.461 18.376 19.000 -0.271 0.000 0.826 407 A HN 0.224 nan 8.150 nan 0.000 0.444 408 R N -0.392 119.854 120.500 -0.423 0.000 2.120 408 R HA -0.115 4.225 4.340 0.001 0.000 0.234 408 R C 2.217 178.381 176.300 -0.227 0.000 1.123 408 R CA 1.653 57.553 56.100 -0.333 0.000 0.975 408 R CB -0.213 29.886 30.300 -0.336 0.000 0.866 408 R HN 0.559 nan 8.270 nan 0.000 0.446 409 K N 0.532 120.750 120.400 -0.304 0.000 1.973 409 K HA -0.099 4.222 4.320 0.001 0.000 0.212 409 K C 2.040 178.413 176.600 -0.379 0.000 1.047 409 K CA 1.461 57.442 56.287 -0.510 0.000 0.937 409 K CB -0.230 31.751 32.500 -0.865 0.000 0.721 409 K HN 0.076 nan 8.250 nan 0.000 0.440 410 I N 1.468 121.884 120.570 -0.257 0.000 2.181 410 I HA -0.398 3.773 4.170 0.001 0.000 0.247 410 I C 2.796 179.000 176.117 0.145 0.000 1.081 410 I CA 1.556 62.871 61.300 0.025 0.000 1.340 410 I CB -0.385 37.678 38.000 0.106 0.000 1.036 410 I HN 0.396 nan 8.210 nan 0.000 0.417 411 Q N 0.793 120.611 119.800 0.029 0.000 2.224 411 Q HA -0.164 4.177 4.340 0.001 0.000 0.203 411 Q C 2.247 178.280 176.000 0.055 0.000 0.970 411 Q CA 1.207 57.037 55.803 0.045 0.000 0.865 411 Q CB 0.181 28.914 28.738 -0.009 0.000 0.922 411 Q HN 0.487 nan 8.270 nan 0.000 0.445 412 R N -1.002 119.531 120.500 0.054 0.000 2.128 412 R HA 0.012 4.353 4.340 0.001 0.000 0.211 412 R C 1.900 178.348 176.300 0.246 0.000 1.067 412 R CA 0.483 56.644 56.100 0.102 0.000 1.010 412 R CB -0.146 30.203 30.300 0.082 0.000 0.922 412 R HN 0.177 nan 8.270 nan 0.000 0.457 413 F N 1.595 121.592 119.950 0.078 0.000 2.449 413 F HA -0.062 4.465 4.527 0.001 0.000 0.299 413 F C 1.443 177.323 175.800 0.133 0.000 1.092 413 F CA 0.936 58.982 58.000 0.076 0.000 1.446 413 F CB -0.036 38.885 39.000 -0.130 0.000 1.084 413 F HN -0.070 nan 8.300 nan 0.000 0.567 414 L N -0.322 120.978 121.223 0.128 0.000 2.492 414 L HA 0.005 4.345 4.340 0.001 0.000 0.223 414 L C 1.396 178.293 176.870 0.044 0.000 1.132 414 L CA 0.314 55.230 54.840 0.127 0.000 0.850 414 L CB -0.509 41.649 42.059 0.166 0.000 0.966 414 L HN 0.130 nan 8.230 nan 0.000 0.454 415 S N -0.997 114.744 115.700 0.070 0.000 2.632 415 S HA 0.406 4.876 4.470 0.001 0.000 0.267 415 S C -0.308 174.314 174.600 0.036 0.000 1.276 415 S CA -0.601 57.647 58.200 0.079 0.000 0.998 415 S CB 1.730 65.060 63.200 0.217 0.000 0.953 415 S HN 0.200 nan 8.310 nan 0.000 0.547 416 Q N 0.429 120.244 119.800 0.024 0.000 2.284 416 Q HA 0.414 4.755 4.340 0.001 0.000 0.269 416 Q C -3.028 173.017 176.000 0.075 0.000 1.026 416 Q CA -2.112 53.732 55.803 0.069 0.000 0.831 416 Q CB 2.419 31.277 28.738 0.201 0.000 1.322 416 Q HN 0.432 nan 8.270 nan 0.000 0.419 417 P HA 0.088 nan 4.420 nan 0.000 0.276 417 P C -1.069 176.408 177.300 0.296 0.000 1.264 417 P CA 0.421 63.581 63.100 0.099 0.000 0.769 417 P CB 0.095 31.822 31.700 0.045 0.000 0.840 418 F N 1.599 121.585 119.950 0.061 0.000 2.389 418 F HA 0.115 4.642 4.527 0.001 0.000 0.337 418 F C 2.154 177.994 175.800 0.066 0.000 1.112 418 F CA -0.452 57.589 58.000 0.068 0.000 1.192 418 F CB 1.249 40.301 39.000 0.086 0.000 1.185 418 F HN 0.373 nan 8.300 nan 0.000 0.552 419 Q N 1.798 121.684 119.800 0.144 0.000 2.172 419 Q HA -0.122 4.218 4.340 0.001 0.000 0.200 419 Q C 1.647 177.700 176.000 0.088 0.000 0.964 419 Q CA 1.170 57.021 55.803 0.079 0.000 0.855 419 Q CB 0.136 28.880 28.738 0.011 0.000 0.918 419 Q HN 0.644 nan 8.270 nan 0.000 0.444 420 V N -1.217 118.767 119.914 0.118 0.000 3.623 420 V HA 0.310 4.430 4.120 0.001 0.000 0.271 420 V C 0.975 177.189 176.094 0.201 0.000 1.248 420 V CA 1.049 63.426 62.300 0.128 0.000 1.156 420 V CB 0.270 32.164 31.823 0.118 0.000 0.870 420 V HN 0.334 nan 8.190 nan 0.000 0.453 421 A N -0.656 122.324 122.820 0.266 0.000 2.503 421 A HA 0.360 4.680 4.320 0.001 0.000 0.263 421 A C 1.529 179.234 177.584 0.203 0.000 1.258 421 A CA 0.318 52.567 52.037 0.353 0.000 0.936 421 A CB -0.121 19.107 19.000 0.380 0.000 1.070 421 A HN 0.562 nan 8.150 nan 0.000 0.522 422 E N -0.297 119.962 120.200 0.098 0.000 2.130 422 E HA -0.199 4.151 4.350 0.001 0.000 0.196 422 E C 1.929 178.504 176.600 -0.041 0.000 0.998 422 E CA 1.473 57.903 56.400 0.049 0.000 0.806 422 E CB -0.312 29.403 29.700 0.025 0.000 0.738 422 E HN 0.487 nan 8.360 nan 0.000 0.459 423 V N 0.356 120.156 119.914 -0.191 0.000 2.439 423 V HA -0.306 3.814 4.120 0.001 0.000 0.253 423 V C 1.507 177.352 176.094 -0.416 0.000 1.074 423 V CA 1.872 63.939 62.300 -0.389 0.000 1.076 423 V CB -0.364 31.081 31.823 -0.631 0.000 0.664 423 V HN 0.218 nan 8.190 nan 0.000 0.461 424 F N 0.984 120.929 119.950 -0.009 0.000 2.289 424 F HA 0.093 4.621 4.527 0.000 0.000 0.280 424 F C 2.806 178.607 175.800 0.002 0.000 1.045 424 F CA 1.317 59.300 58.000 -0.028 0.000 1.236 424 F CB -1.490 37.454 39.000 -0.094 0.000 1.116 424 F HN 0.249 nan 8.300 nan 0.000 0.550 425 T N -1.109 113.587 114.554 0.237 0.000 2.469 425 T HA -0.034 4.316 4.350 0.001 0.000 0.254 425 T C 1.926 176.753 174.700 0.210 0.000 1.214 425 T CA 2.033 64.259 62.100 0.209 0.000 1.202 425 T CB -1.201 67.788 68.868 0.203 0.000 0.864 425 T HN 0.737 nan 8.240 nan 0.000 0.408 426 G N -0.001 108.893 108.800 0.157 0.000 2.318 426 G HA2 -0.032 3.928 3.960 0.001 0.000 0.172 426 G HA3 -0.032 3.928 3.960 0.001 0.000 0.172 426 G C -0.139 174.678 174.900 -0.138 0.000 1.002 426 G CA 0.088 45.179 45.100 -0.015 0.000 0.697 426 G HN 0.976 nan 8.290 nan 0.000 0.483 427 H N -0.371 118.693 119.070 -0.010 0.000 2.533 427 H HA 0.716 5.272 4.556 0.000 0.000 0.343 427 H C 0.118 175.449 175.328 0.006 0.000 1.160 427 H CA -0.934 55.106 56.048 -0.013 0.000 1.218 427 H CB 1.629 31.372 29.762 -0.031 0.000 1.566 427 H HN 0.195 nan 8.280 nan 0.000 0.522 428 L N 1.796 123.089 121.223 0.116 0.000 2.456 428 L HA 0.247 4.587 4.340 0.001 0.000 0.272 428 L C 1.197 178.123 176.870 0.093 0.000 1.189 428 L CA 0.460 55.346 54.840 0.076 0.000 0.846 428 L CB 0.056 42.142 42.059 0.045 0.000 1.111 428 L HN 0.907 nan 8.230 nan 0.000 0.475 429 G N 3.421 112.270 108.800 0.082 0.000 2.939 429 G HA2 0.166 4.126 3.960 0.001 0.000 0.257 429 G HA3 0.166 4.126 3.960 0.001 0.000 0.257 429 G C -0.176 174.771 174.900 0.079 0.000 1.259 429 G CA -0.138 45.016 45.100 0.090 0.000 0.928 429 G HN 0.658 nan 8.290 nan 0.000 0.615 430 K N -1.942 118.507 120.400 0.081 0.000 2.614 430 K HA 0.663 4.983 4.320 0.001 0.000 0.293 430 K C -1.514 175.116 176.600 0.050 0.000 1.045 430 K CA -0.723 55.603 56.287 0.066 0.000 0.880 430 K CB 1.788 34.333 32.500 0.075 0.000 1.552 430 K HN 0.697 nan 8.250 nan 0.000 0.404 431 L N 0.359 121.608 121.223 0.045 0.000 2.982 431 L HA 0.313 4.653 4.340 0.001 0.000 0.262 431 L C -1.862 175.030 176.870 0.037 0.000 0.932 431 L CA -0.596 54.261 54.840 0.030 0.000 1.058 431 L CB 1.467 43.531 42.059 0.009 0.000 1.665 431 L HN 0.273 nan 8.230 nan 0.000 0.499 432 V N 5.134 125.072 119.914 0.040 0.000 2.417 432 V HA 0.564 4.685 4.120 0.001 0.000 0.291 432 V C -2.157 173.962 176.094 0.041 0.000 1.024 432 V CA -1.687 60.642 62.300 0.048 0.000 0.861 432 V CB 1.661 33.519 31.823 0.058 0.000 0.985 432 V HN 0.579 nan 8.190 nan 0.000 0.436 433 P HA 0.131 nan 4.420 nan 0.000 0.271 433 P C 0.778 178.095 177.300 0.028 0.000 1.216 433 P CA -0.390 62.730 63.100 0.033 0.000 0.771 433 P CB 0.817 32.538 31.700 0.035 0.000 0.864 434 L N 4.577 125.806 121.223 0.010 0.000 2.054 434 L HA -0.265 4.075 4.340 0.001 0.000 0.220 434 L C 1.724 178.576 176.870 -0.030 0.000 1.081 434 L CA 2.125 56.949 54.840 -0.026 0.000 0.780 434 L CB -1.057 40.978 42.059 -0.040 0.000 0.893 434 L HN 0.326 nan 8.230 nan 0.000 0.438 435 K N -0.834 119.563 120.400 -0.005 0.000 2.365 435 K HA -0.091 4.229 4.320 0.001 0.000 0.199 435 K C 1.850 178.478 176.600 0.047 0.000 1.045 435 K CA 1.043 57.334 56.287 0.006 0.000 0.962 435 K CB 0.032 32.542 32.500 0.017 0.000 0.759 435 K HN 0.574 nan 8.250 nan 0.000 0.469 436 E N -0.605 119.635 120.200 0.067 0.000 2.442 436 E HA -0.039 4.312 4.350 0.001 0.000 0.195 436 E C 1.218 177.921 176.600 0.172 0.000 1.030 436 E CA 0.592 57.056 56.400 0.107 0.000 0.869 436 E CB 0.454 30.212 29.700 0.098 0.000 0.857 436 E HN 0.256 nan 8.360 nan 0.000 0.505 437 T N 1.406 116.055 114.554 0.158 0.000 2.735 437 T HA -0.025 4.326 4.350 0.001 0.000 0.256 437 T C 2.023 176.929 174.700 0.343 0.000 1.042 437 T CA 0.448 62.706 62.100 0.265 0.000 1.147 437 T CB -0.107 68.847 68.868 0.144 0.000 0.865 437 T HN 0.087 nan 8.240 nan 0.000 0.421 438 I N 1.558 122.207 120.570 0.131 0.000 2.145 438 I HA -0.279 3.891 4.170 0.001 0.000 0.244 438 I C 2.680 178.908 176.117 0.186 0.000 1.075 438 I CA 1.667 63.027 61.300 0.100 0.000 1.332 438 I CB -0.593 37.387 38.000 -0.035 0.000 1.033 438 I HN 0.275 nan 8.210 nan 0.000 0.410 439 K N 1.160 121.654 120.400 0.157 0.000 2.025 439 K HA -0.140 4.180 4.320 0.001 0.000 0.207 439 K C 2.184 178.891 176.600 0.178 0.000 1.049 439 K CA 1.581 57.952 56.287 0.140 0.000 0.933 439 K CB -0.382 32.182 32.500 0.107 0.000 0.714 439 K HN 0.358 nan 8.250 nan 0.000 0.438 440 G N 0.693 109.636 108.800 0.238 0.000 2.491 440 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 440 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 440 G C 1.291 176.263 174.900 0.120 0.000 1.180 440 G CA 1.016 46.233 45.100 0.195 0.000 0.774 440 G HN 0.268 nan 8.290 nan 0.000 0.562 441 F N 0.530 120.641 119.950 0.267 0.000 2.084 441 F HA -0.000 4.527 4.527 0.001 0.000 0.296 441 F C 2.917 178.770 175.800 0.087 0.000 1.111 441 F CA 1.544 59.658 58.000 0.190 0.000 1.224 441 F CB -0.749 38.355 39.000 0.174 0.000 0.991 441 F HN 0.173 nan 8.300 nan 0.000 0.471 442 Q N 0.390 120.349 119.800 0.266 0.000 2.182 442 Q HA -0.340 4.001 4.340 0.001 0.000 0.213 442 Q C 2.079 178.121 176.000 0.071 0.000 1.000 442 Q CA 2.455 58.342 55.803 0.139 0.000 0.889 442 Q CB -0.179 28.625 28.738 0.111 0.000 0.932 442 Q HN 0.540 nan 8.270 nan 0.000 0.415 443 Q N -0.047 119.784 119.800 0.052 0.000 1.942 443 Q HA -0.160 4.180 4.340 0.001 0.000 0.203 443 Q C 2.269 178.224 176.000 -0.075 0.000 0.987 443 Q CA 1.879 57.656 55.803 -0.044 0.000 0.844 443 Q CB -0.282 28.433 28.738 -0.037 0.000 0.911 443 Q HN 0.492 nan 8.270 nan 0.000 0.423 444 I N 0.949 121.508 120.570 -0.019 0.000 2.181 444 I HA -0.366 3.805 4.170 0.001 0.000 0.247 444 I C 2.402 178.485 176.117 -0.058 0.000 1.081 444 I CA 1.303 62.573 61.300 -0.050 0.000 1.340 444 I CB -0.552 37.350 38.000 -0.164 0.000 1.036 444 I HN 0.260 nan 8.210 nan 0.000 0.417 445 L N 0.589 121.813 121.223 0.002 0.000 2.046 445 L HA -0.202 4.138 4.340 0.001 0.000 0.208 445 L C 2.732 179.593 176.870 -0.014 0.000 1.077 445 L CA 1.414 56.262 54.840 0.014 0.000 0.747 445 L CB -0.477 41.619 42.059 0.061 0.000 0.896 445 L HN 0.293 nan 8.230 nan 0.000 0.432 446 A N -0.814 121.989 122.820 -0.028 0.000 2.168 446 A HA 0.112 4.432 4.320 0.001 0.000 0.215 446 A C 1.613 179.161 177.584 -0.060 0.000 1.152 446 A CA 0.983 52.996 52.037 -0.040 0.000 0.716 446 A CB -0.480 18.493 19.000 -0.046 0.000 0.794 446 A HN 0.592 nan 8.150 nan 0.000 0.465 447 G N -1.002 107.750 108.800 -0.079 0.000 2.130 447 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 447 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 447 G C 0.294 175.129 174.900 -0.108 0.000 0.999 447 G CA 0.441 45.496 45.100 -0.074 0.000 0.686 447 G HN 0.566 nan 8.290 nan 0.000 0.515 448 E N -1.140 118.920 120.200 -0.232 0.000 2.478 448 E HA 0.212 4.562 4.350 0.001 0.000 0.194 448 E C 0.740 177.020 176.600 -0.533 0.000 1.045 448 E CA 0.282 56.447 56.400 -0.390 0.000 0.868 448 E CB 0.156 29.499 29.700 -0.595 0.000 0.885 448 E HN 0.764 nan 8.360 nan 0.000 0.505 449 Y N -0.514 119.708 120.300 -0.129 0.000 2.738 449 Y HA 0.110 4.660 4.550 0.000 0.000 0.249 449 Y C 0.472 176.164 175.900 -0.347 0.000 1.153 449 Y CA -0.688 57.199 58.100 -0.355 0.000 1.165 449 Y CB 0.792 39.209 38.460 -0.072 0.000 1.235 449 Y HN -0.057 nan 8.280 nan 0.000 0.559 450 D N -0.156 120.198 120.400 -0.077 0.000 2.384 450 D HA -0.163 4.477 4.640 0.001 0.000 0.222 450 D C 1.794 178.113 176.300 0.031 0.000 0.976 450 D CA 1.219 55.210 54.000 -0.015 0.000 0.915 450 D CB -0.162 40.646 40.800 0.013 0.000 0.896 450 D HN 0.650 nan 8.370 nan 0.000 0.523 451 H N -0.637 118.499 119.070 0.109 0.000 2.451 451 H HA 0.131 4.687 4.556 0.001 0.000 0.294 451 H C 0.922 176.306 175.328 0.093 0.000 1.028 451 H CA -0.184 55.914 56.048 0.085 0.000 1.349 451 H CB -0.303 29.500 29.762 0.069 0.000 1.444 451 H HN 0.050 nan 8.280 nan 0.000 0.538 452 L N 3.266 124.435 121.223 -0.090 0.000 2.485 452 L HA 0.166 4.506 4.340 0.001 0.000 0.275 452 L C -2.099 174.821 176.870 0.084 0.000 1.207 452 L CA -1.779 53.063 54.840 0.003 0.000 0.855 452 L CB 0.139 42.105 42.059 -0.155 0.000 1.114 452 L HN 0.119 nan 8.230 nan 0.000 0.485 453 P HA 0.166 nan 4.420 nan 0.000 0.278 453 P C 0.280 177.673 177.300 0.154 0.000 1.266 453 P CA -0.627 62.526 63.100 0.089 0.000 0.807 453 P CB 0.774 32.507 31.700 0.054 0.000 1.094 454 E N 0.071 120.352 120.200 0.136 0.000 2.026 454 E HA -0.278 4.072 4.350 0.001 0.000 0.206 454 E C 1.777 178.525 176.600 0.248 0.000 1.028 454 E CA 1.454 57.958 56.400 0.173 0.000 0.845 454 E CB -0.282 29.461 29.700 0.071 0.000 0.772 454 E HN 0.439 nan 8.360 nan 0.000 0.462 455 Q N -0.437 119.458 119.800 0.158 0.000 2.449 455 Q HA -0.143 4.197 4.340 0.001 0.000 0.214 455 Q C 1.846 177.934 176.000 0.147 0.000 0.986 455 Q CA 1.088 57.002 55.803 0.186 0.000 0.893 455 Q CB -0.353 28.476 28.738 0.151 0.000 0.940 455 Q HN 0.292 nan 8.270 nan 0.000 0.477 456 A N -0.429 122.406 122.820 0.026 0.000 2.121 456 A HA -0.060 4.260 4.320 0.001 0.000 0.218 456 A C 1.366 178.747 177.584 -0.338 0.000 1.154 456 A CA 0.698 52.599 52.037 -0.227 0.000 0.679 456 A CB -0.392 18.334 19.000 -0.458 0.000 0.795 456 A HN 0.281 nan 8.150 nan 0.000 0.458 457 F N -2.953 117.010 119.950 0.021 0.000 2.714 457 F HA 0.205 4.732 4.527 0.000 0.000 0.294 457 F C 0.701 176.634 175.800 0.222 0.000 1.120 457 F CA -0.606 57.449 58.000 0.092 0.000 1.398 457 F CB -0.171 38.855 39.000 0.043 0.000 1.120 457 F HN 0.235 nan 8.300 nan 0.000 0.589 458 Y N 2.535 122.947 120.300 0.187 0.000 2.754 458 Y HA 0.220 4.770 4.550 0.001 0.000 0.349 458 Y C 0.656 176.563 175.900 0.011 0.000 1.179 458 Y CA -1.035 57.121 58.100 0.093 0.000 1.538 458 Y CB -0.449 38.049 38.460 0.063 0.000 1.200 458 Y HN 0.268 nan 8.280 nan 0.000 0.522 459 M N 4.509 124.131 119.600 0.035 0.000 2.505 459 M HA -0.160 4.320 4.480 0.001 0.000 0.194 459 M C -1.532 174.651 176.300 -0.195 0.000 0.771 459 M CA 1.081 56.214 55.300 -0.279 0.000 0.553 459 M CB -1.133 30.941 32.600 -0.878 0.000 1.354 459 M HN 0.463 nan 8.290 nan 0.000 0.874 460 V N -1.573 118.335 119.914 -0.011 0.000 3.155 460 V HA 1.111 5.231 4.120 0.001 0.000 0.313 460 V C 0.710 176.841 176.094 0.062 0.000 1.162 460 V CA 0.021 62.335 62.300 0.024 0.000 1.048 460 V CB 1.677 33.528 31.823 0.048 0.000 1.092 460 V HN 0.489 nan 8.190 nan 0.000 0.447 461 G N 0.245 109.088 108.800 0.072 0.000 3.199 461 G HA2 0.473 4.433 3.960 0.001 0.000 0.184 461 G HA3 0.473 4.433 3.960 0.001 0.000 0.184 461 G C -2.440 172.539 174.900 0.133 0.000 1.974 461 G CA -0.555 44.590 45.100 0.075 0.000 0.885 461 G HN 0.704 nan 8.290 nan 0.000 0.575 462 P HA 0.111 nan 4.420 nan 0.000 0.269 462 P C 0.891 178.315 177.300 0.207 0.000 1.215 462 P CA -0.466 62.733 63.100 0.166 0.000 0.780 462 P CB 0.890 32.648 31.700 0.098 0.000 0.898 463 I N 2.475 123.189 120.570 0.239 0.000 2.236 463 I HA -0.305 3.866 4.170 0.001 0.000 0.249 463 I C 1.561 177.596 176.117 -0.137 0.000 1.102 463 I CA 1.989 63.296 61.300 0.012 0.000 1.365 463 I CB -0.647 37.312 38.000 -0.068 0.000 1.051 463 I HN 0.349 nan 8.210 nan 0.000 0.420 464 E N 0.303 120.471 120.200 -0.054 0.000 2.110 464 E HA -0.268 4.082 4.350 0.001 0.000 0.193 464 E C 2.073 178.601 176.600 -0.119 0.000 0.988 464 E CA 1.378 57.724 56.400 -0.090 0.000 0.804 464 E CB -0.329 29.357 29.700 -0.023 0.000 0.745 464 E HN 0.629 nan 8.360 nan 0.000 0.458 465 E N -0.353 119.809 120.200 -0.064 0.000 2.463 465 E HA -0.140 4.211 4.350 0.001 0.000 0.201 465 E C 1.475 178.001 176.600 -0.124 0.000 1.045 465 E CA 0.631 56.996 56.400 -0.058 0.000 0.872 465 E CB 0.049 29.749 29.700 0.001 0.000 0.797 465 E HN 0.308 nan 8.360 nan 0.000 0.538 466 A N -0.389 122.289 122.820 -0.237 0.000 1.956 466 A HA -0.005 4.315 4.320 0.001 0.000 0.212 466 A C 2.146 179.433 177.584 -0.495 0.000 1.188 466 A CA 0.393 52.168 52.037 -0.437 0.000 0.675 466 A CB -0.000 18.551 19.000 -0.748 0.000 0.845 466 A HN 0.186 nan 8.150 nan 0.000 0.455 467 V N 0.300 119.946 119.914 -0.446 0.000 2.594 467 V HA -0.193 3.927 4.120 0.001 0.000 0.253 467 V C 2.817 178.792 176.094 -0.198 0.000 1.069 467 V CA 1.590 63.687 62.300 -0.339 0.000 1.082 467 V CB -1.538 30.141 31.823 -0.241 0.000 0.680 467 V HN 0.548 nan 8.190 nan 0.000 0.469 468 A N 0.556 123.277 122.820 -0.164 0.000 1.835 468 A HA -0.240 4.080 4.320 0.001 0.000 0.215 468 A C 2.298 179.822 177.584 -0.100 0.000 1.199 468 A CA 2.042 54.018 52.037 -0.102 0.000 0.615 468 A CB -0.579 18.377 19.000 -0.073 0.000 0.838 468 A HN 0.457 nan 8.150 nan 0.000 0.444 469 K N -0.179 120.150 120.400 -0.118 0.000 2.520 469 K HA -0.044 4.276 4.320 0.001 0.000 0.197 469 K C 1.705 178.236 176.600 -0.116 0.000 1.043 469 K CA 0.833 57.061 56.287 -0.099 0.000 0.944 469 K CB -0.261 32.180 32.500 -0.098 0.000 0.770 469 K HN 0.438 nan 8.250 nan 0.000 0.480 470 A N 0.674 123.398 122.820 -0.161 0.000 2.066 470 A HA -0.096 4.225 4.320 0.001 0.000 0.218 470 A C 0.998 178.540 177.584 -0.069 0.000 1.157 470 A CA 1.489 53.437 52.037 -0.148 0.000 0.670 470 A CB 0.029 18.909 19.000 -0.199 0.000 0.804 470 A HN 0.333 nan 8.150 nan 0.000 0.453 471 D N -1.251 119.115 120.400 -0.057 0.000 2.514 471 D HA 0.015 4.656 4.640 0.001 0.000 0.249 471 D C 1.728 178.014 176.300 -0.024 0.000 1.036 471 D CA 0.741 54.723 54.000 -0.030 0.000 0.911 471 D CB -0.344 40.440 40.800 -0.027 0.000 1.145 471 D HN 0.400 nan 8.370 nan 0.000 0.495 472 K N 1.103 121.485 120.400 -0.030 0.000 2.113 472 K HA -0.092 4.229 4.320 0.001 0.000 0.208 472 K C 1.732 178.324 176.600 -0.013 0.000 1.047 472 K CA 0.851 57.125 56.287 -0.021 0.000 0.928 472 K CB 0.046 32.533 32.500 -0.023 0.000 0.716 472 K HN 0.103 nan 8.250 nan 0.000 0.446 473 L N 0.173 121.387 121.223 -0.015 0.000 2.209 473 L HA -0.027 4.314 4.340 0.001 0.000 0.207 473 L C 2.365 179.236 176.870 0.000 0.000 1.094 473 L CA 0.800 55.638 54.840 -0.003 0.000 0.790 473 L CB -0.731 41.327 42.059 -0.001 0.000 0.932 473 L HN 0.274 nan 8.230 nan 0.000 0.447 474 A N 0.230 123.048 122.820 -0.005 0.000 2.213 474 A HA -0.091 4.229 4.320 0.001 0.000 0.192 474 A C 0.925 178.510 177.584 0.001 0.000 1.296 474 A CA 1.043 53.081 52.037 0.001 0.000 0.703 474 A CB -0.217 18.783 19.000 -0.000 0.000 0.941 474 A HN 0.271 nan 8.150 nan 0.000 0.517 475 E N 0.000 120.199 120.200 -0.001 0.000 2.725 475 E HA 0.000 4.350 4.350 0.001 0.000 0.291 475 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 475 E CB 0.000 29.700 29.700 0.000 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440