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 1ci9_1_B DATA FIRST_RESID 15 DATA SEQUENCE AASLAARLDA VFDQALRERR LVGAVAIVAR HGEILYRRAQ GLADREAGRP DATA SEQUENCE MREDTLFRLA SVTKPIVALA VLRLVARGEL ALDAPVTRWL PEFRPRLADG DATA SEQUENCE SEPLVTIHHL LTHTSGLGYW LLEGAGSVYD RLGISDGIDL RDFDLDENLR DATA SEQUENCE RLASAPLSFA PGSGWQYSLA LDVLGAVVER ATGQPLAAAV DALVAQPLGM DATA SEQUENCE RDCGFVSAEP ERFAVPYHDG QPEPVRMRDG IEVPLPEGHG AAVRFAPSRV DATA SEQUENCE FEPGAYPSGG AGMYGSADDV LRALEAIRAN PGFLPETLAD AARRDQAGVG DATA SEQUENCE AETRGPGWGF GYLSAVLDDP AAAGTPQHAG TLQWGGVYGH SWFVDRALGL DATA SEQUENCE SVLLLTNTAY EGMSGPLTIA LRDAVYA 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.629 177.584 0.075 0.000 1.274 15 A CA 0.000 52.074 52.037 0.062 0.000 0.836 15 A CB 0.000 19.033 19.000 0.054 0.000 0.831 16 A N 1.037 123.889 122.820 0.054 0.000 1.898 16 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 16 A C 2.439 180.056 177.584 0.055 0.000 1.181 16 A CA 2.819 54.889 52.037 0.054 0.000 0.620 16 A CB -0.823 18.198 19.000 0.036 0.000 0.819 16 A HN 1.498 nan 8.150 nan 0.000 0.442 17 S N -0.369 115.355 115.700 0.040 0.000 2.395 17 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 17 S C 1.922 176.538 174.600 0.027 0.000 1.027 17 S CA 1.164 59.383 58.200 0.032 0.000 0.965 17 S CB -0.675 62.538 63.200 0.021 0.000 0.812 17 S HN 0.525 nan 8.310 nan 0.000 0.482 18 L N 2.396 123.633 121.223 0.023 0.000 2.012 18 L HA 0.065 4.405 4.340 -0.000 0.000 0.210 18 L C 2.665 179.530 176.870 -0.008 0.000 1.073 18 L CA 2.049 56.883 54.840 -0.009 0.000 0.748 18 L CB -1.215 40.836 42.059 -0.015 0.000 0.891 18 L HN 0.363 nan 8.230 nan 0.000 0.431 19 A N -0.469 122.414 122.820 0.104 0.000 1.933 19 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 19 A C 2.455 180.143 177.584 0.173 0.000 1.175 19 A CA 1.802 53.994 52.037 0.257 0.000 0.628 19 A CB -1.191 18.012 19.000 0.338 0.000 0.814 19 A HN 0.639 nan 8.150 nan 0.000 0.444 20 A N 0.013 122.893 122.820 0.101 0.000 1.877 20 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 20 A C 2.248 179.862 177.584 0.051 0.000 1.186 20 A CA 1.443 53.526 52.037 0.077 0.000 0.620 20 A CB -0.489 18.542 19.000 0.053 0.000 0.822 20 A HN 0.553 nan 8.150 nan 0.000 0.443 21 R N -0.430 120.080 120.500 0.016 0.000 2.083 21 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 21 R C 2.101 178.378 176.300 -0.039 0.000 1.137 21 R CA 1.597 57.689 56.100 -0.014 0.000 0.951 21 R CB -0.686 29.596 30.300 -0.030 0.000 0.851 21 R HN 0.513 nan 8.270 nan 0.000 0.434 22 L N 0.758 121.933 121.223 -0.079 0.000 2.056 22 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 22 L C 1.865 178.793 176.870 0.097 0.000 1.078 22 L CA 1.137 55.898 54.840 -0.131 0.000 0.749 22 L CB -0.532 41.266 42.059 -0.435 0.000 0.901 22 L HN 0.127 nan 8.230 nan 0.000 0.433 23 D N 0.323 120.855 120.400 0.220 0.000 2.178 23 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 23 D C 2.209 178.618 176.300 0.182 0.000 0.980 23 D CA 1.385 55.562 54.000 0.295 0.000 0.842 23 D CB -0.008 40.932 40.800 0.233 0.000 0.948 23 D HN 0.320 nan 8.370 nan 0.000 0.472 24 A N 0.765 123.640 122.820 0.092 0.000 1.858 24 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 24 A C 2.556 180.155 177.584 0.025 0.000 1.190 24 A CA 1.441 53.509 52.037 0.051 0.000 0.617 24 A CB -0.861 18.153 19.000 0.023 0.000 0.827 24 A HN 0.132 nan 8.150 nan 0.000 0.443 25 V N -1.015 118.877 119.914 -0.038 0.000 2.231 25 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 25 V C 2.354 178.386 176.094 -0.104 0.000 1.054 25 V CA 2.447 64.668 62.300 -0.132 0.000 1.015 25 V CB -1.154 30.487 31.823 -0.303 0.000 0.638 25 V HN 0.527 nan 8.190 nan 0.000 0.444 26 F N 0.439 120.406 119.950 0.027 0.000 2.134 26 F HA -0.145 4.382 4.527 0.000 0.000 0.299 26 F C 2.374 178.192 175.800 0.030 0.000 1.097 26 F CA 1.681 59.704 58.000 0.039 0.000 1.264 26 F CB -0.808 38.232 39.000 0.067 0.000 1.001 26 F HN 0.185 nan 8.300 nan 0.000 0.479 27 D N -0.109 120.421 120.400 0.216 0.000 2.106 27 D HA -0.256 4.384 4.640 -0.000 0.000 0.191 27 D C 2.232 178.581 176.300 0.082 0.000 0.997 27 D CA 1.487 55.562 54.000 0.124 0.000 0.834 27 D CB -0.649 40.206 40.800 0.091 0.000 0.956 27 D HN 0.355 nan 8.370 nan 0.000 0.448 28 Q N 0.116 119.950 119.800 0.058 0.000 2.096 28 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 28 Q C 2.021 178.042 176.000 0.035 0.000 0.982 28 Q CA 1.739 57.562 55.803 0.032 0.000 0.850 28 Q CB -0.062 28.683 28.738 0.011 0.000 0.901 28 Q HN 0.230 nan 8.270 nan 0.000 0.422 29 A N 0.475 123.324 122.820 0.049 0.000 1.898 29 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 29 A C 2.022 179.644 177.584 0.062 0.000 1.181 29 A CA 1.101 53.170 52.037 0.053 0.000 0.620 29 A CB -0.607 18.434 19.000 0.070 0.000 0.819 29 A HN 0.429 nan 8.150 nan 0.000 0.442 30 L N -0.422 120.853 121.223 0.086 0.000 2.056 30 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 30 L C 2.822 179.706 176.870 0.025 0.000 1.078 30 L CA 1.810 56.682 54.840 0.053 0.000 0.749 30 L CB -0.532 41.562 42.059 0.057 0.000 0.901 30 L HN 0.505 nan 8.230 nan 0.000 0.433 31 R N 0.393 120.910 120.500 0.029 0.000 2.115 31 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 31 R C 1.496 177.800 176.300 0.007 0.000 1.111 31 R CA 1.085 57.194 56.100 0.015 0.000 0.976 31 R CB -0.563 29.747 30.300 0.017 0.000 0.870 31 R HN 0.367 nan 8.270 nan 0.000 0.445 32 E N 1.378 121.584 120.200 0.010 0.000 2.494 32 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 32 E C -0.287 176.313 176.600 -0.000 0.000 1.074 32 E CA -0.227 56.176 56.400 0.005 0.000 0.867 32 E CB 0.072 29.776 29.700 0.007 0.000 0.924 32 E HN 0.220 nan 8.360 nan 0.000 0.502 33 R N -0.044 120.453 120.500 -0.006 0.000 3.641 33 R HA -0.246 4.094 4.340 -0.000 0.000 0.286 33 R C 0.702 176.990 176.300 -0.019 0.000 1.153 33 R CA 0.512 56.599 56.100 -0.022 0.000 0.775 33 R CB -1.674 28.610 30.300 -0.026 0.000 1.215 33 R HN 0.258 nan 8.270 nan 0.000 0.474 34 R N 0.126 120.625 120.500 -0.002 0.000 2.254 34 R HA 0.135 4.475 4.340 -0.000 0.000 0.195 34 R C 0.552 176.861 176.300 0.014 0.000 0.957 34 R CA 0.440 56.544 56.100 0.007 0.000 1.024 34 R CB 0.271 30.580 30.300 0.016 0.000 0.952 34 R HN 0.081 nan 8.270 nan 0.000 0.484 35 L N -0.668 120.563 121.223 0.013 0.000 2.464 35 L HA 0.257 4.597 4.340 -0.000 0.000 0.266 35 L C 0.341 177.195 176.870 -0.025 0.000 0.965 35 L CA -0.354 54.505 54.840 0.032 0.000 0.833 35 L CB 2.242 44.364 42.059 0.106 0.000 1.296 35 L HN -0.274 nan 8.230 nan 0.000 0.405 36 V N 2.849 122.719 119.914 -0.074 0.000 2.374 36 V HA 0.559 4.679 4.120 -0.000 0.000 0.241 36 V C 0.992 177.044 176.094 -0.069 0.000 1.034 36 V CA 1.053 63.245 62.300 -0.181 0.000 1.037 36 V CB -0.084 31.446 31.823 -0.487 0.000 0.682 36 V HN 0.925 nan 8.190 nan 0.000 0.463 37 G N -1.641 107.171 108.800 0.020 0.000 2.698 37 G HA2 0.752 4.712 3.960 -0.000 0.000 0.293 37 G HA3 0.752 4.712 3.960 -0.000 0.000 0.293 37 G C -1.604 173.384 174.900 0.146 0.000 1.437 37 G CA 0.136 45.270 45.100 0.056 0.000 0.852 37 G HN 0.595 nan 8.290 nan 0.000 0.499 38 A N -0.547 122.331 122.820 0.097 0.000 2.609 38 A HA 0.871 5.191 4.320 -0.000 0.000 0.291 38 A C -1.539 176.084 177.584 0.065 0.000 1.096 38 A CA -0.602 51.514 52.037 0.132 0.000 0.684 38 A CB 1.836 20.903 19.000 0.112 0.000 1.282 38 A HN 1.546 nan 8.150 nan 0.000 0.412 39 V N 0.387 120.342 119.914 0.067 0.000 2.540 39 V HA 0.786 4.906 4.120 -0.000 0.000 0.302 39 V C 0.156 176.249 176.094 -0.001 0.000 1.035 39 V CA -0.016 62.291 62.300 0.011 0.000 0.873 39 V CB 1.427 33.300 31.823 0.084 0.000 0.992 39 V HN 1.600 nan 8.190 nan 0.000 0.428 40 A N 5.962 128.821 122.820 0.065 0.000 2.371 40 A HA 0.958 5.277 4.320 -0.000 0.000 0.311 40 A C -1.069 176.643 177.584 0.213 0.000 1.068 40 A CA -0.525 51.627 52.037 0.193 0.000 0.744 40 A CB 1.259 20.515 19.000 0.426 0.000 1.239 40 A HN 0.739 nan 8.150 nan 0.000 0.435 41 I N 1.789 122.442 120.570 0.138 0.000 2.582 41 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 41 I C -1.035 175.130 176.117 0.080 0.000 1.066 41 I CA -1.028 60.343 61.300 0.120 0.000 1.053 41 I CB 2.321 40.333 38.000 0.020 0.000 1.241 41 I HN 0.303 nan 8.210 nan 0.000 0.421 42 V N 4.611 124.589 119.914 0.106 0.000 2.444 42 V HA 0.736 4.856 4.120 -0.000 0.000 0.294 42 V C 0.019 176.115 176.094 0.003 0.000 1.022 42 V CA -0.436 61.869 62.300 0.009 0.000 0.850 42 V CB 1.523 33.344 31.823 -0.004 0.000 0.992 42 V HN 0.843 nan 8.190 nan 0.000 0.426 43 A N 5.272 128.067 122.820 -0.042 0.000 2.355 43 A HA 0.926 5.246 4.320 -0.000 0.000 0.324 43 A C -0.392 177.163 177.584 -0.049 0.000 1.117 43 A CA -0.823 51.193 52.037 -0.035 0.000 0.785 43 A CB 1.518 20.492 19.000 -0.043 0.000 1.254 43 A HN 0.754 nan 8.150 nan 0.000 0.453 44 R N 1.179 121.667 120.500 -0.019 0.000 2.483 44 R HA 0.357 4.697 4.340 -0.000 0.000 0.303 44 R C -0.808 175.532 176.300 0.066 0.000 0.987 44 R CA -0.542 55.548 56.100 -0.018 0.000 0.881 44 R CB 0.389 30.700 30.300 0.018 0.000 1.177 44 R HN 1.029 nan 8.270 nan 0.000 0.451 45 H N 2.441 121.503 119.070 -0.013 0.000 2.626 45 H HA -0.218 4.338 4.556 -0.000 0.000 0.317 45 H C 0.851 176.172 175.328 -0.012 0.000 1.140 45 H CA 1.558 57.602 56.048 -0.008 0.000 1.134 45 H CB -0.733 29.026 29.762 -0.005 0.000 1.486 45 H HN 1.148 nan 8.280 nan 0.000 0.417 46 G N 0.342 109.164 108.800 0.037 0.000 2.179 46 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 46 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 46 G C 0.161 175.070 174.900 0.016 0.000 0.977 46 G CA 0.598 45.708 45.100 0.016 0.000 0.641 46 G HN 0.779 nan 8.290 nan 0.000 0.533 47 E N 1.165 121.382 120.200 0.029 0.000 2.146 47 E HA 0.537 4.887 4.350 -0.000 0.000 0.282 47 E C 0.100 176.707 176.600 0.012 0.000 0.989 47 E CA -1.220 55.193 56.400 0.022 0.000 0.799 47 E CB 0.921 30.642 29.700 0.036 0.000 1.088 47 E HN 0.104 nan 8.360 nan 0.000 0.397 48 I N 5.641 126.214 120.570 0.004 0.000 2.436 48 I HA -0.025 4.145 4.170 -0.000 0.000 0.289 48 I C 1.064 177.194 176.117 0.022 0.000 1.083 48 I CA 0.024 61.328 61.300 0.006 0.000 1.372 48 I CB 0.471 38.466 38.000 -0.008 0.000 1.408 48 I HN 0.829 nan 8.210 nan 0.000 0.516 49 L N 6.853 128.102 121.223 0.044 0.000 2.463 49 L HA 0.127 4.467 4.340 -0.000 0.000 0.219 49 L C -0.103 176.855 176.870 0.147 0.000 1.088 49 L CA 0.279 55.161 54.840 0.070 0.000 0.849 49 L CB -0.015 42.076 42.059 0.054 0.000 1.012 49 L HN 0.498 nan 8.230 nan 0.000 0.468 50 Y N 0.327 120.619 120.300 -0.013 0.000 2.442 50 Y HA 0.493 5.043 4.550 0.000 0.000 0.330 50 Y C -0.924 174.970 175.900 -0.009 0.000 1.100 50 Y CA -1.162 56.937 58.100 -0.002 0.000 1.034 50 Y CB 1.324 39.794 38.460 0.016 0.000 1.285 50 Y HN -0.103 nan 8.280 nan 0.000 0.440 51 R N 6.447 126.744 120.500 -0.338 0.000 2.695 51 R HA 0.531 4.871 4.340 -0.000 0.000 0.288 51 R C -1.852 174.223 176.300 -0.374 0.000 1.344 51 R CA -0.544 55.419 56.100 -0.229 0.000 1.005 51 R CB 0.676 30.908 30.300 -0.113 0.000 1.233 51 R HN 0.792 nan 8.270 nan 0.000 0.442 52 R N 2.245 122.515 120.500 -0.385 0.000 2.651 52 R HA 0.500 4.840 4.340 -0.000 0.000 0.278 52 R C -1.151 175.030 176.300 -0.199 0.000 1.010 52 R CA -0.923 54.966 56.100 -0.352 0.000 0.896 52 R CB 2.313 32.297 30.300 -0.528 0.000 1.211 52 R HN 0.566 nan 8.270 nan 0.000 0.456 53 A N 2.311 125.035 122.820 -0.161 0.000 2.327 53 A HA 0.461 4.781 4.320 -0.000 0.000 0.283 53 A C -0.453 177.025 177.584 -0.176 0.000 1.127 53 A CA -0.368 51.596 52.037 -0.123 0.000 0.810 53 A CB 0.800 19.757 19.000 -0.071 0.000 1.066 53 A HN 0.487 nan 8.150 nan 0.000 0.492 54 Q N 0.603 120.284 119.800 -0.198 0.000 2.331 54 Q HA 0.534 4.874 4.340 -0.000 0.000 0.272 54 Q C 0.464 176.399 176.000 -0.108 0.000 1.062 54 Q CA 0.302 55.968 55.803 -0.229 0.000 0.806 54 Q CB 1.892 30.303 28.738 -0.545 0.000 1.312 54 Q HN 1.830 nan 8.270 nan 0.000 0.431 55 G N 1.744 110.504 108.800 -0.066 0.000 2.547 55 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.271 55 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.271 55 G C -0.714 174.164 174.900 -0.037 0.000 1.209 55 G CA -0.248 44.829 45.100 -0.039 0.000 0.959 55 G HN 0.476 nan 8.290 nan 0.000 0.563 56 L N 0.231 121.431 121.223 -0.039 0.000 2.342 56 L HA 0.684 5.024 4.340 -0.000 0.000 0.271 56 L C 1.519 178.384 176.870 -0.008 0.000 1.008 56 L CA -0.370 54.450 54.840 -0.034 0.000 0.818 56 L CB 1.881 43.910 42.059 -0.050 0.000 1.296 56 L HN 0.954 nan 8.230 nan 0.000 0.427 57 A N 0.574 123.393 122.820 -0.001 0.000 1.911 57 A HA 0.012 4.332 4.320 -0.000 0.000 0.212 57 A C 0.449 178.086 177.584 0.089 0.000 1.189 57 A CA 0.918 52.961 52.037 0.009 0.000 0.639 57 A CB 0.032 19.000 19.000 -0.053 0.000 0.839 57 A HN 0.715 nan 8.150 nan 0.000 0.449 58 D N -1.272 119.172 120.400 0.074 0.000 2.421 58 D HA 0.264 4.904 4.640 -0.000 0.000 0.254 58 D C 0.783 177.139 176.300 0.093 0.000 1.238 58 D CA -0.501 53.574 54.000 0.124 0.000 0.919 58 D CB 0.911 41.751 40.800 0.066 0.000 1.152 58 D HN 0.199 nan 8.370 nan 0.000 0.552 59 R N 2.317 122.893 120.500 0.127 0.000 2.080 59 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 59 R C 0.953 177.280 176.300 0.044 0.000 1.137 59 R CA 1.667 57.780 56.100 0.021 0.000 0.943 59 R CB 0.317 30.564 30.300 -0.089 0.000 0.846 59 R HN 0.251 nan 8.270 nan 0.000 0.431 60 E N -0.005 120.249 120.200 0.090 0.000 2.160 60 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 60 E C 1.515 178.131 176.600 0.026 0.000 0.991 60 E CA 1.534 57.965 56.400 0.052 0.000 0.810 60 E CB -0.107 29.626 29.700 0.055 0.000 0.742 60 E HN 0.492 nan 8.360 nan 0.000 0.466 61 A N -0.608 122.228 122.820 0.027 0.000 2.218 61 A HA 0.380 4.700 4.320 -0.000 0.000 0.209 61 A C 1.694 179.279 177.584 0.002 0.000 1.168 61 A CA 0.694 52.736 52.037 0.009 0.000 0.804 61 A CB -0.377 18.626 19.000 0.005 0.000 0.834 61 A HN 0.264 nan 8.150 nan 0.000 0.482 62 G N -0.212 108.590 108.800 0.004 0.000 2.198 62 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 62 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 62 G C 0.254 175.148 174.900 -0.010 0.000 1.025 62 G CA 0.527 45.623 45.100 -0.006 0.000 0.769 62 G HN 0.871 nan 8.290 nan 0.000 0.507 63 R N 0.660 121.156 120.500 -0.006 0.000 2.202 63 R HA 0.505 4.845 4.340 -0.000 0.000 0.334 63 R C -2.305 173.983 176.300 -0.019 0.000 1.036 63 R CA -1.827 54.266 56.100 -0.013 0.000 0.878 63 R CB 0.853 31.146 30.300 -0.011 0.000 1.067 63 R HN 0.078 nan 8.270 nan 0.000 0.457 64 P HA -0.057 nan 4.420 nan 0.000 0.269 64 P C -0.509 176.769 177.300 -0.036 0.000 1.209 64 P CA -0.230 62.852 63.100 -0.031 0.000 0.776 64 P CB 0.534 32.215 31.700 -0.033 0.000 0.876 65 M N 3.578 123.157 119.600 -0.035 0.000 2.249 65 M HA 0.100 4.580 4.480 -0.000 0.000 0.340 65 M C 0.099 176.375 176.300 -0.042 0.000 1.166 65 M CA 1.159 56.437 55.300 -0.036 0.000 1.115 65 M CB 0.012 32.609 32.600 -0.005 0.000 1.606 65 M HN 0.200 nan 8.290 nan 0.000 0.448 66 R N 2.991 123.464 120.500 -0.046 0.000 2.888 66 R HA 0.287 4.627 4.340 -0.000 0.000 0.266 66 R C 0.422 176.708 176.300 -0.023 0.000 1.020 66 R CA -0.730 55.343 56.100 -0.044 0.000 0.963 66 R CB 0.658 30.927 30.300 -0.052 0.000 1.197 66 R HN 0.693 nan 8.270 nan 0.000 0.481 67 E N 0.737 120.918 120.200 -0.033 0.000 2.204 67 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 67 E C 0.242 176.843 176.600 0.000 0.000 0.990 67 E CA 1.595 57.981 56.400 -0.022 0.000 0.821 67 E CB 0.065 29.735 29.700 -0.050 0.000 0.750 67 E HN 0.518 nan 8.360 nan 0.000 0.477 68 D N -1.033 119.355 120.400 -0.019 0.000 2.501 68 D HA 0.032 4.672 4.640 -0.000 0.000 0.226 68 D C -0.326 175.939 176.300 -0.058 0.000 1.198 68 D CA -0.250 53.736 54.000 -0.024 0.000 0.830 68 D CB -0.340 40.439 40.800 -0.035 0.000 1.014 68 D HN -0.248 nan 8.370 nan 0.000 0.496 69 T N 1.207 115.718 114.554 -0.072 0.000 2.946 69 T HA 0.140 4.490 4.350 -0.000 0.000 0.311 69 T C 0.655 175.167 174.700 -0.314 0.000 1.063 69 T CA -0.049 61.919 62.100 -0.221 0.000 1.139 69 T CB 0.629 69.323 68.868 -0.290 0.000 0.994 69 T HN 0.130 nan 8.240 nan 0.000 0.547 70 L N 3.110 124.017 121.223 -0.527 0.000 2.375 70 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 70 L C -0.485 175.937 176.870 -0.747 0.000 1.107 70 L CA -0.482 53.981 54.840 -0.629 0.000 0.806 70 L CB 0.459 41.825 42.059 -1.156 0.000 1.146 70 L HN 0.537 nan 8.230 nan 0.000 0.447 71 F N 0.411 120.212 119.950 -0.248 0.000 2.551 71 F HA 0.476 5.003 4.527 -0.000 0.000 0.316 71 F C 0.191 176.069 175.800 0.130 0.000 1.089 71 F CA -0.901 57.084 58.000 -0.025 0.000 0.915 71 F CB 1.525 40.494 39.000 -0.052 0.000 1.186 71 F HN 0.283 nan 8.300 nan 0.000 0.456 72 R N 3.116 123.808 120.500 0.320 0.000 2.449 72 R HA 0.184 4.524 4.340 -0.000 0.000 0.296 72 R C 0.625 177.127 176.300 0.337 0.000 1.047 72 R CA -0.033 56.172 56.100 0.174 0.000 1.018 72 R CB 0.338 30.434 30.300 -0.339 0.000 0.962 72 R HN 0.745 nan 8.270 nan 0.000 0.428 73 L N 2.879 124.284 121.223 0.304 0.000 2.446 73 L HA 0.040 4.380 4.340 -0.000 0.000 0.219 73 L C 1.448 178.606 176.870 0.481 0.000 1.116 73 L CA 0.627 55.664 54.840 0.329 0.000 0.844 73 L CB -0.569 41.571 42.059 0.136 0.000 0.970 73 L HN 0.984 nan 8.230 nan 0.000 0.457 74 A N 0.392 123.497 122.820 0.476 0.000 5.483 74 A HA -0.369 3.951 4.320 -0.000 0.000 0.309 74 A C 1.525 179.329 177.584 0.366 0.000 1.898 74 A CA 1.636 53.925 52.037 0.421 0.000 0.716 74 A CB -1.690 17.575 19.000 0.441 0.000 1.309 74 A HN 0.270 nan 8.150 nan 0.000 0.380 75 S N -0.480 115.461 115.700 0.402 0.000 2.603 75 S HA 0.177 4.647 4.470 -0.000 0.000 0.229 75 S C 1.386 176.315 174.600 0.548 0.000 0.972 75 S CA 0.877 59.378 58.200 0.502 0.000 0.935 75 S CB -0.192 63.411 63.200 0.673 0.000 0.769 75 S HN 0.878 nan 8.310 nan 0.000 0.536 76 V N 1.762 121.956 119.914 0.467 0.000 3.078 76 V HA -0.115 4.005 4.120 -0.000 0.000 0.265 76 V C 2.261 178.489 176.094 0.224 0.000 1.122 76 V CA 1.514 64.046 62.300 0.386 0.000 1.141 76 V CB -1.205 30.782 31.823 0.275 0.000 0.735 76 V HN 0.499 nan 8.190 nan 0.000 0.498 77 T N -0.174 114.507 114.554 0.213 0.000 2.788 77 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 77 T C 1.942 176.747 174.700 0.175 0.000 1.044 77 T CA 1.366 63.540 62.100 0.124 0.000 1.139 77 T CB -0.165 68.771 68.868 0.114 0.000 0.867 77 T HN 0.523 nan 8.240 nan 0.000 0.454 78 K N 0.654 121.227 120.400 0.288 0.000 2.032 78 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 78 K C -0.597 176.142 176.600 0.231 0.000 1.048 78 K CA 1.462 57.925 56.287 0.294 0.000 0.927 78 K CB -1.074 31.674 32.500 0.414 0.000 0.712 78 K HN 0.330 nan 8.250 nan 0.000 0.441 79 P HA -0.142 nan 4.420 nan 0.000 0.218 79 P C 1.351 178.695 177.300 0.073 0.000 1.148 79 P CA 1.351 64.534 63.100 0.137 0.000 0.822 79 P CB -0.092 31.626 31.700 0.030 0.000 0.784 80 I N -1.032 119.566 120.570 0.047 0.000 2.233 80 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 80 I C 2.416 178.580 176.117 0.078 0.000 1.093 80 I CA 1.080 62.397 61.300 0.029 0.000 1.380 80 I CB -0.677 37.311 38.000 -0.020 0.000 1.067 80 I HN -0.212 nan 8.210 nan 0.000 0.413 81 V N 1.018 120.993 119.914 0.102 0.000 2.548 81 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 81 V C 2.680 178.822 176.094 0.079 0.000 1.055 81 V CA 1.761 64.129 62.300 0.113 0.000 1.065 81 V CB -0.800 31.113 31.823 0.151 0.000 0.681 81 V HN 0.460 nan 8.190 nan 0.000 0.462 82 A N -0.153 122.722 122.820 0.092 0.000 1.933 82 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 82 A C 2.199 179.823 177.584 0.067 0.000 1.175 82 A CA 1.593 53.672 52.037 0.069 0.000 0.628 82 A CB -0.518 18.553 19.000 0.118 0.000 0.814 82 A HN 0.494 nan 8.150 nan 0.000 0.444 83 L N -0.783 120.504 121.223 0.106 0.000 2.081 83 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 83 L C 3.085 180.010 176.870 0.091 0.000 1.080 83 L CA 1.150 56.080 54.840 0.150 0.000 0.754 83 L CB -0.532 41.676 42.059 0.248 0.000 0.893 83 L HN 0.473 nan 8.230 nan 0.000 0.433 84 A N -0.512 122.350 122.820 0.070 0.000 1.898 84 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 84 A C 2.318 179.877 177.584 -0.042 0.000 1.181 84 A CA 1.644 53.697 52.037 0.026 0.000 0.620 84 A CB -0.764 18.259 19.000 0.040 0.000 0.819 84 A HN 0.187 nan 8.150 nan 0.000 0.442 85 V N 0.129 120.008 119.914 -0.058 0.000 2.343 85 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 85 V C 2.546 178.566 176.094 -0.124 0.000 1.051 85 V CA 2.022 64.247 62.300 -0.125 0.000 1.036 85 V CB -0.745 30.990 31.823 -0.146 0.000 0.654 85 V HN 0.567 nan 8.190 nan 0.000 0.451 86 L N -0.839 120.335 121.223 -0.081 0.000 2.141 86 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 86 L C 2.801 179.609 176.870 -0.102 0.000 1.094 86 L CA 1.133 55.931 54.840 -0.070 0.000 0.763 86 L CB -0.564 41.496 42.059 0.001 0.000 0.908 86 L HN 0.212 nan 8.230 nan 0.000 0.437 87 R N 0.184 120.602 120.500 -0.136 0.000 2.092 87 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 87 R C 2.201 178.420 176.300 -0.135 0.000 1.119 87 R CA 1.208 57.190 56.100 -0.198 0.000 0.970 87 R CB -0.600 29.557 30.300 -0.239 0.000 0.864 87 R HN 0.390 nan 8.270 nan 0.000 0.440 88 L N 0.204 121.357 121.223 -0.117 0.000 2.156 88 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 88 L C 2.438 179.254 176.870 -0.091 0.000 1.095 88 L CA 0.557 55.334 54.840 -0.105 0.000 0.770 88 L CB -0.349 41.627 42.059 -0.137 0.000 0.914 88 L HN -0.083 nan 8.230 nan 0.000 0.439 89 V N 0.223 120.077 119.914 -0.100 0.000 2.343 89 V HA -0.301 3.818 4.120 -0.000 0.000 0.247 89 V C 2.731 178.799 176.094 -0.043 0.000 1.051 89 V CA 1.884 64.143 62.300 -0.068 0.000 1.036 89 V CB -0.804 30.977 31.823 -0.070 0.000 0.654 89 V HN 0.492 nan 8.190 nan 0.000 0.451 90 A N -0.163 122.622 122.820 -0.058 0.000 2.015 90 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 90 A C 2.278 179.836 177.584 -0.043 0.000 1.163 90 A CA 1.450 53.457 52.037 -0.051 0.000 0.646 90 A CB -0.425 18.525 19.000 -0.083 0.000 0.806 90 A HN 0.549 nan 8.150 nan 0.000 0.448 91 R N -1.509 118.962 120.500 -0.048 0.000 2.299 91 R HA 0.196 4.536 4.340 -0.000 0.000 0.197 91 R C 1.331 177.625 176.300 -0.009 0.000 0.971 91 R CA 0.538 56.619 56.100 -0.032 0.000 1.030 91 R CB -0.072 30.206 30.300 -0.036 0.000 0.932 91 R HN 0.656 nan 8.270 nan 0.000 0.477 92 G N 1.136 109.934 108.800 -0.003 0.000 2.159 92 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.256 92 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.256 92 G C 0.570 175.497 174.900 0.045 0.000 0.977 92 G CA 0.462 45.575 45.100 0.021 0.000 0.652 92 G HN 0.456 nan 8.290 nan 0.000 0.531 93 E N -0.736 119.483 120.200 0.032 0.000 2.385 93 E HA 0.309 4.659 4.350 -0.000 0.000 0.194 93 E C 1.128 177.790 176.600 0.103 0.000 1.013 93 E CA 0.363 56.806 56.400 0.072 0.000 0.866 93 E CB 0.336 30.054 29.700 0.030 0.000 0.832 93 E HN 0.571 nan 8.360 nan 0.000 0.500 94 L N -0.422 120.803 121.223 0.003 0.000 2.283 94 L HA 0.715 5.055 4.340 -0.000 0.000 0.259 94 L C -0.814 176.077 176.870 0.034 0.000 1.027 94 L CA -1.140 53.663 54.840 -0.063 0.000 0.828 94 L CB 2.004 43.865 42.059 -0.330 0.000 1.380 94 L HN -0.160 nan 8.230 nan 0.000 0.425 95 A N 0.334 123.202 122.820 0.079 0.000 2.486 95 A HA 0.567 4.887 4.320 -0.000 0.000 0.300 95 A C 0.205 177.811 177.584 0.038 0.000 1.048 95 A CA -0.545 51.531 52.037 0.066 0.000 0.696 95 A CB 1.363 20.425 19.000 0.103 0.000 1.278 95 A HN 0.733 nan 8.150 nan 0.000 0.405 96 L N 0.359 121.591 121.223 0.015 0.000 2.127 96 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 96 L C 1.589 178.474 176.870 0.025 0.000 1.089 96 L CA 1.935 56.780 54.840 0.009 0.000 0.757 96 L CB -0.243 41.852 42.059 0.060 0.000 0.899 96 L HN 0.936 nan 8.230 nan 0.000 0.434 97 D N -0.654 119.761 120.400 0.026 0.000 2.340 97 D HA 0.112 4.752 4.640 -0.000 0.000 0.217 97 D C 0.667 176.996 176.300 0.048 0.000 1.081 97 D CA -0.057 53.946 54.000 0.005 0.000 0.842 97 D CB -0.002 40.793 40.800 -0.009 0.000 0.934 97 D HN 0.111 nan 8.370 nan 0.000 0.511 98 A N 1.130 124.016 122.820 0.109 0.000 2.388 98 A HA 0.502 4.822 4.320 -0.000 0.000 0.257 98 A C -2.389 175.309 177.584 0.189 0.000 1.095 98 A CA -1.268 50.871 52.037 0.170 0.000 0.791 98 A CB 0.127 19.330 19.000 0.338 0.000 1.029 98 A HN 0.023 nan 8.150 nan 0.000 0.489 99 P HA 0.038 nan 4.420 nan 0.000 0.268 99 P C 0.975 178.413 177.300 0.230 0.000 1.204 99 P CA -0.133 63.051 63.100 0.140 0.000 0.768 99 P CB 0.802 32.540 31.700 0.063 0.000 0.842 100 V N 3.346 123.407 119.914 0.246 0.000 2.720 100 V HA -0.195 3.925 4.120 -0.000 0.000 0.256 100 V C 1.825 178.090 176.094 0.284 0.000 1.082 100 V CA 2.806 65.292 62.300 0.310 0.000 1.101 100 V CB -1.400 30.551 31.823 0.213 0.000 0.693 100 V HN 0.731 nan 8.190 nan 0.000 0.479 101 T N -2.573 112.080 114.554 0.165 0.000 3.051 101 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 101 T C 1.842 176.523 174.700 -0.033 0.000 1.127 101 T CA 0.877 63.031 62.100 0.089 0.000 1.107 101 T CB -0.535 68.364 68.868 0.050 0.000 0.898 101 T HN 0.540 nan 8.240 nan 0.000 0.517 102 R N -0.318 120.085 120.500 -0.163 0.000 2.148 102 R HA 0.046 4.386 4.340 -0.000 0.000 0.227 102 R C 1.821 177.701 176.300 -0.699 0.000 1.103 102 R CA 1.329 57.086 56.100 -0.572 0.000 0.983 102 R CB -0.081 29.582 30.300 -1.061 0.000 0.874 102 R HN 0.565 nan 8.270 nan 0.000 0.451 103 W N -0.285 121.011 121.300 -0.006 0.000 2.792 103 W HA 0.249 4.909 4.660 -0.000 0.000 0.262 103 W C 0.282 176.792 176.519 -0.014 0.000 1.212 103 W CA -0.096 57.239 57.345 -0.017 0.000 1.433 103 W CB 0.399 29.839 29.460 -0.033 0.000 1.004 103 W HN -0.110 nan 8.180 nan 0.000 0.608 104 L N 2.524 123.872 121.223 0.208 0.000 2.445 104 L HA 0.237 4.577 4.340 -0.000 0.000 0.252 104 L C -1.446 175.497 176.870 0.122 0.000 1.105 104 L CA -1.481 53.443 54.840 0.141 0.000 0.943 104 L CB 0.953 43.088 42.059 0.126 0.000 1.277 104 L HN -0.409 nan 8.230 nan 0.000 0.465 105 P HA -0.171 nan 4.420 nan 0.000 0.221 105 P C 0.941 178.264 177.300 0.038 0.000 1.145 105 P CA 1.187 64.304 63.100 0.029 0.000 0.795 105 P CB 0.563 32.263 31.700 -0.000 0.000 0.775 106 E N -2.264 117.972 120.200 0.060 0.000 2.498 106 E HA 0.135 4.485 4.350 -0.000 0.000 0.203 106 E C -0.171 176.460 176.600 0.052 0.000 1.013 106 E CA -0.410 56.010 56.400 0.035 0.000 0.927 106 E CB -0.439 29.273 29.700 0.019 0.000 1.012 106 E HN 0.039 nan 8.360 nan 0.000 0.482 107 F N 1.697 121.635 119.950 -0.020 0.000 2.567 107 F HA 0.267 4.794 4.527 0.000 0.000 0.352 107 F C -0.160 175.627 175.800 -0.022 0.000 1.229 107 F CA -0.080 57.905 58.000 -0.026 0.000 1.228 107 F CB -0.002 38.989 39.000 -0.015 0.000 1.568 107 F HN -0.241 nan 8.300 nan 0.000 0.634 108 R N 5.397 125.701 120.500 -0.326 0.000 2.748 108 R HA 0.241 4.581 4.340 -0.000 0.000 0.283 108 R C -2.555 173.550 176.300 -0.326 0.000 1.507 108 R CA -1.686 54.274 56.100 -0.233 0.000 1.666 108 R CB 0.213 30.443 30.300 -0.116 0.000 1.237 108 R HN 0.309 nan 8.270 nan 0.000 0.633 109 P HA 0.016 nan 4.420 nan 0.000 0.269 109 P C -0.493 176.681 177.300 -0.209 0.000 1.209 109 P CA 0.078 62.951 63.100 -0.378 0.000 0.776 109 P CB 0.944 32.394 31.700 -0.416 0.000 0.876 110 R N 1.280 121.683 120.500 -0.163 0.000 2.720 110 R HA 0.534 4.874 4.340 -0.000 0.000 0.272 110 R C 0.455 176.699 176.300 -0.093 0.000 0.991 110 R CA -1.144 54.891 56.100 -0.109 0.000 1.010 110 R CB 0.853 31.099 30.300 -0.089 0.000 1.141 110 R HN 0.401 nan 8.270 nan 0.000 0.494 111 L N 0.821 122.002 121.223 -0.069 0.000 2.468 111 L HA 0.080 4.420 4.340 -0.000 0.000 0.253 111 L C 1.676 178.521 176.870 -0.042 0.000 1.237 111 L CA 0.111 54.918 54.840 -0.054 0.000 0.823 111 L CB 0.245 42.285 42.059 -0.031 0.000 1.124 111 L HN 0.833 nan 8.230 nan 0.000 0.504 112 A N 0.532 123.335 122.820 -0.028 0.000 2.019 112 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 112 A C 1.498 179.072 177.584 -0.017 0.000 1.164 112 A CA 1.578 53.602 52.037 -0.020 0.000 0.644 112 A CB -0.693 18.302 19.000 -0.008 0.000 0.805 112 A HN 0.921 nan 8.150 nan 0.000 0.449 113 D N -2.367 118.024 120.400 -0.015 0.000 2.336 113 D HA 0.287 4.927 4.640 -0.000 0.000 0.229 113 D C 1.166 177.454 176.300 -0.019 0.000 1.061 113 D CA 0.943 54.936 54.000 -0.013 0.000 0.875 113 D CB -0.466 40.330 40.800 -0.007 0.000 0.904 113 D HN 0.697 nan 8.370 nan 0.000 0.525 114 G N -0.111 108.673 108.800 -0.027 0.000 2.217 114 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 114 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 114 G C 0.435 175.314 174.900 -0.035 0.000 0.990 114 G CA 0.328 45.408 45.100 -0.032 0.000 0.627 114 G HN 0.852 nan 8.290 nan 0.000 0.522 115 S N -0.300 115.382 115.700 -0.029 0.000 2.632 115 S HA 0.644 5.114 4.470 -0.000 0.000 0.271 115 S C -0.169 174.410 174.600 -0.035 0.000 1.260 115 S CA 0.062 58.246 58.200 -0.027 0.000 1.010 115 S CB 2.351 65.541 63.200 -0.016 0.000 0.965 115 S HN 0.526 nan 8.310 nan 0.000 0.534 116 E N 2.191 122.372 120.200 -0.033 0.000 2.092 116 E HA 0.407 4.757 4.350 -0.000 0.000 0.271 116 E C -2.239 174.348 176.600 -0.022 0.000 0.919 116 E CA -2.034 54.342 56.400 -0.040 0.000 0.760 116 E CB 0.736 30.411 29.700 -0.043 0.000 1.106 116 E HN 0.613 nan 8.360 nan 0.000 0.408 117 P HA 0.171 nan 4.420 nan 0.000 0.280 117 P C -0.727 176.589 177.300 0.026 0.000 1.272 117 P CA -0.762 62.339 63.100 0.002 0.000 0.819 117 P CB 0.883 32.575 31.700 -0.013 0.000 1.122 118 L N 1.271 122.531 121.223 0.062 0.000 2.367 118 L HA 0.272 4.612 4.340 -0.000 0.000 0.275 118 L C -0.766 176.211 176.870 0.178 0.000 1.129 118 L CA -0.034 54.872 54.840 0.110 0.000 0.839 118 L CB 0.479 42.612 42.059 0.125 0.000 1.133 118 L HN 0.060 nan 8.230 nan 0.000 0.453 119 V N 4.828 124.866 119.914 0.207 0.000 2.407 119 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 119 V C 0.317 176.605 176.094 0.322 0.000 1.018 119 V CA -0.165 62.326 62.300 0.318 0.000 0.842 119 V CB 1.396 33.347 31.823 0.213 0.000 0.996 119 V HN 0.987 nan 8.190 nan 0.000 0.426 120 T N 2.237 117.012 114.554 0.370 0.000 2.912 120 T HA 0.496 4.846 4.350 -0.000 0.000 0.280 120 T C 1.244 175.986 174.700 0.070 0.000 0.989 120 T CA -0.747 61.410 62.100 0.096 0.000 0.995 120 T CB 1.320 70.114 68.868 -0.123 0.000 1.077 120 T HN 0.152 nan 8.240 nan 0.000 0.531 121 I N 0.663 121.253 120.570 0.034 0.000 2.208 121 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 121 I C 2.400 178.467 176.117 -0.082 0.000 1.097 121 I CA 1.837 63.106 61.300 -0.051 0.000 1.363 121 I CB -1.890 36.047 38.000 -0.105 0.000 1.051 121 I HN 0.944 nan 8.210 nan 0.000 0.413 122 H N 0.574 119.553 119.070 -0.151 0.000 2.319 122 H HA -0.229 4.327 4.556 -0.000 0.000 0.297 122 H C 2.408 177.747 175.328 0.018 0.000 1.097 122 H CA 2.487 58.471 56.048 -0.107 0.000 1.285 122 H CB -0.308 29.419 29.762 -0.060 0.000 1.368 122 H HN 0.470 nan 8.280 nan 0.000 0.495 123 H N -0.704 118.439 119.070 0.122 0.000 2.352 123 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 123 H C 2.402 177.695 175.328 -0.059 0.000 1.097 123 H CA 1.235 57.324 56.048 0.069 0.000 1.311 123 H CB 0.053 29.880 29.762 0.108 0.000 1.377 123 H HN 0.298 nan 8.280 nan 0.000 0.504 124 L N 0.022 121.264 121.223 0.032 0.000 2.044 124 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 124 L C 2.252 178.970 176.870 -0.253 0.000 1.075 124 L CA 0.772 55.538 54.840 -0.124 0.000 0.747 124 L CB -0.295 41.690 42.059 -0.123 0.000 0.903 124 L HN 0.261 nan 8.230 nan 0.000 0.435 125 L N -0.314 120.777 121.223 -0.220 0.000 2.131 125 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 125 L C 2.429 179.293 176.870 -0.009 0.000 1.092 125 L CA 1.738 56.469 54.840 -0.182 0.000 0.759 125 L CB -0.723 41.142 42.059 -0.324 0.000 0.903 125 L HN 0.470 nan 8.230 nan 0.000 0.435 126 T N -5.567 108.992 114.554 0.009 0.000 3.107 126 T HA 0.002 4.352 4.350 -0.000 0.000 0.249 126 T C 0.619 175.395 174.700 0.127 0.000 1.096 126 T CA -0.293 61.950 62.100 0.239 0.000 1.012 126 T CB -0.167 68.809 68.868 0.181 0.000 0.977 126 T HN 0.324 nan 8.240 nan 0.000 0.527 127 H N 1.363 120.364 119.070 -0.116 0.000 2.770 127 H HA -0.133 4.423 4.556 -0.000 0.000 0.309 127 H C 0.744 175.872 175.328 -0.334 0.000 1.206 127 H CA 1.278 57.097 56.048 -0.381 0.000 1.147 127 H CB -2.225 27.063 29.762 -0.790 0.000 1.422 127 H HN 0.745 nan 8.280 nan 0.000 0.420 128 T N -3.994 110.586 114.554 0.043 0.000 3.132 128 T HA 0.158 4.508 4.350 -0.000 0.000 0.274 128 T C 1.705 176.510 174.700 0.175 0.000 1.011 128 T CA 0.342 62.569 62.100 0.211 0.000 0.899 128 T CB 0.272 69.329 68.868 0.315 0.000 1.089 128 T HN 0.345 nan 8.240 nan 0.000 0.543 129 S N 0.843 116.551 115.700 0.013 0.000 2.461 129 S HA 0.366 4.836 4.470 -0.000 0.000 0.228 129 S C 2.114 176.557 174.600 -0.261 0.000 1.005 129 S CA 0.812 58.953 58.200 -0.098 0.000 0.942 129 S CB -0.680 62.498 63.200 -0.037 0.000 0.776 129 S HN 1.312 nan 8.310 nan 0.000 0.514 130 G N 0.515 109.014 108.800 -0.502 0.000 2.213 130 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 130 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 130 G C 0.012 174.564 174.900 -0.581 0.000 0.992 130 G CA 0.019 44.481 45.100 -1.063 0.000 0.632 130 G HN 0.511 nan 8.290 nan 0.000 0.511 131 L N 0.645 121.690 121.223 -0.298 0.000 2.476 131 L HA 0.552 4.892 4.340 -0.000 0.000 0.264 131 L C 1.468 178.229 176.870 -0.181 0.000 1.224 131 L CA 0.653 55.412 54.840 -0.135 0.000 0.821 131 L CB 0.544 42.570 42.059 -0.056 0.000 1.101 131 L HN 0.347 nan 8.230 nan 0.000 0.488 132 G N -0.981 107.762 108.800 -0.095 0.000 3.247 132 G HA2 0.558 4.518 3.960 -0.000 0.000 0.226 132 G HA3 0.558 4.518 3.960 -0.000 0.000 0.226 132 G C -2.093 172.694 174.900 -0.189 0.000 1.220 132 G CA -0.194 44.755 45.100 -0.252 0.000 0.875 132 G HN 0.301 nan 8.290 nan 0.000 0.606 133 Y N -2.045 118.111 120.300 -0.241 0.000 2.544 133 Y HA 0.338 4.888 4.550 -0.000 0.000 0.342 133 Y C 0.246 176.143 175.900 -0.006 0.000 1.062 133 Y CA -1.461 56.649 58.100 0.016 0.000 1.023 133 Y CB 1.990 40.450 38.460 0.001 0.000 1.308 133 Y HN 0.707 nan 8.280 nan 0.000 0.457 134 W N 3.195 124.699 121.300 0.339 0.000 2.338 134 W HA -0.226 4.434 4.660 0.000 0.000 0.304 134 W C 1.680 178.238 176.519 0.065 0.000 1.212 134 W CA 2.604 60.069 57.345 0.199 0.000 1.264 134 W CB 0.036 29.631 29.460 0.226 0.000 1.142 134 W HN 0.606 nan 8.180 nan 0.000 0.512 135 L N -0.680 120.793 121.223 0.417 0.000 2.353 135 L HA -0.089 4.251 4.340 -0.000 0.000 0.220 135 L C 1.986 178.853 176.870 -0.005 0.000 1.133 135 L CA 1.586 56.565 54.840 0.232 0.000 0.798 135 L CB -1.409 40.723 42.059 0.123 0.000 0.922 135 L HN 0.081 nan 8.230 nan 0.000 0.445 136 L N -0.771 120.433 121.223 -0.033 0.000 2.079 136 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 136 L C 2.328 179.107 176.870 -0.152 0.000 1.081 136 L CA 1.233 56.027 54.840 -0.076 0.000 0.752 136 L CB -0.234 41.765 42.059 -0.099 0.000 0.896 136 L HN 0.417 nan 8.230 nan 0.000 0.433 137 E N -1.821 118.215 120.200 -0.274 0.000 2.653 137 E HA 0.181 4.531 4.350 -0.000 0.000 0.218 137 E C 0.759 177.069 176.600 -0.484 0.000 0.911 137 E CA 0.693 56.914 56.400 -0.299 0.000 1.355 137 E CB 0.912 30.467 29.700 -0.243 0.000 1.314 137 E HN 0.290 nan 8.360 nan 0.000 0.686 138 G N 2.032 110.275 108.800 -0.927 0.000 2.569 138 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.259 138 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.259 138 G C 0.395 174.690 174.900 -1.008 0.000 1.263 138 G CA 0.149 44.299 45.100 -1.583 0.000 0.928 138 G HN 0.576 nan 8.290 nan 0.000 0.572 139 A N -0.133 122.432 122.820 -0.425 0.000 2.565 139 A HA 0.559 4.879 4.320 -0.000 0.000 0.237 139 A C 2.271 179.807 177.584 -0.080 0.000 1.053 139 A CA 2.386 54.404 52.037 -0.031 0.000 0.755 139 A CB -0.581 18.483 19.000 0.106 0.000 0.980 139 A HN 2.944 nan 8.150 nan 0.000 0.506 140 G N 1.319 110.118 108.800 -0.002 0.000 2.189 140 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.267 140 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.267 140 G C 0.688 175.564 174.900 -0.039 0.000 0.975 140 G CA 1.269 46.365 45.100 -0.006 0.000 0.644 140 G HN 2.211 nan 8.290 nan 0.000 0.537 141 S N -0.855 114.783 115.700 -0.103 0.000 2.634 141 S HA 0.584 5.054 4.470 -0.000 0.000 0.261 141 S C 1.707 176.308 174.600 0.001 0.000 1.271 141 S CA 0.060 58.200 58.200 -0.099 0.000 0.985 141 S CB 1.692 64.760 63.200 -0.221 0.000 0.968 141 S HN 0.821 nan 8.310 nan 0.000 0.568 142 V N 0.540 120.476 119.914 0.036 0.000 2.231 142 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 142 V C 2.212 178.432 176.094 0.210 0.000 1.058 142 V CA 2.163 64.533 62.300 0.116 0.000 1.022 142 V CB -1.500 30.419 31.823 0.159 0.000 0.640 142 V HN 0.865 nan 8.190 nan 0.000 0.445 143 Y N 0.520 120.821 120.300 0.003 0.000 2.207 143 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 143 Y C 2.462 178.488 175.900 0.211 0.000 1.156 143 Y CA 1.543 59.702 58.100 0.098 0.000 1.182 143 Y CB -0.870 37.667 38.460 0.127 0.000 0.979 143 Y HN 0.371 nan 8.280 nan 0.000 0.521 144 D N -0.327 120.260 120.400 0.311 0.000 2.097 144 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 144 D C 2.102 178.544 176.300 0.236 0.000 0.989 144 D CA 1.249 55.479 54.000 0.383 0.000 0.827 144 D CB 0.037 40.973 40.800 0.226 0.000 0.966 144 D HN 0.087 nan 8.370 nan 0.000 0.456 145 R N -0.192 120.392 120.500 0.140 0.000 2.152 145 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 145 R C 2.197 178.533 176.300 0.061 0.000 1.117 145 R CA 0.562 56.714 56.100 0.087 0.000 0.981 145 R CB -0.327 30.006 30.300 0.053 0.000 0.870 145 R HN 0.374 nan 8.270 nan 0.000 0.451 146 L N -0.789 120.469 121.223 0.058 0.000 2.529 146 L HA 0.195 4.535 4.340 -0.000 0.000 0.223 146 L C 1.018 177.877 176.870 -0.018 0.000 1.113 146 L CA 0.442 55.275 54.840 -0.011 0.000 0.861 146 L CB 0.075 42.092 42.059 -0.071 0.000 1.012 146 L HN 0.344 nan 8.230 nan 0.000 0.461 147 G N 1.484 110.325 108.800 0.069 0.000 2.149 147 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.235 147 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.235 147 G C 0.099 175.041 174.900 0.071 0.000 1.018 147 G CA -0.264 44.881 45.100 0.074 0.000 0.728 147 G HN 0.272 nan 8.290 nan 0.000 0.508 148 I N 1.308 121.942 120.570 0.105 0.000 2.416 148 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 148 I C 0.953 177.210 176.117 0.234 0.000 1.051 148 I CA -0.020 61.337 61.300 0.096 0.000 1.375 148 I CB 1.535 39.477 38.000 -0.098 0.000 1.407 148 I HN 0.199 nan 8.210 nan 0.000 0.516 149 S N 3.820 119.683 115.700 0.272 0.000 2.541 149 S HA 0.215 4.685 4.470 -0.000 0.000 0.283 149 S C 0.462 175.238 174.600 0.294 0.000 1.196 149 S CA -0.716 57.636 58.200 0.254 0.000 1.062 149 S CB 0.986 64.400 63.200 0.356 0.000 1.009 149 S HN 0.549 nan 8.310 nan 0.000 0.502 150 D N 2.720 123.257 120.400 0.229 0.000 2.340 150 D HA 0.211 4.851 4.640 -0.000 0.000 0.220 150 D C 1.437 177.885 176.300 0.247 0.000 1.039 150 D CA 1.025 55.227 54.000 0.337 0.000 0.866 150 D CB 0.033 40.952 40.800 0.199 0.000 0.913 150 D HN 0.925 nan 8.370 nan 0.000 0.523 151 G N 0.655 109.548 108.800 0.155 0.000 2.157 151 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 151 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 151 G C 0.948 175.826 174.900 -0.038 0.000 0.979 151 G CA 0.130 45.271 45.100 0.069 0.000 0.650 151 G HN 0.330 nan 8.290 nan 0.000 0.529 152 I N 1.282 121.798 120.570 -0.090 0.000 3.526 152 I HA 0.157 4.327 4.170 -0.000 0.000 0.294 152 I C 1.288 177.322 176.117 -0.139 0.000 1.229 152 I CA 0.982 62.202 61.300 -0.133 0.000 1.408 152 I CB -0.520 37.279 38.000 -0.334 0.000 1.127 152 I HN 0.434 nan 8.210 nan 0.000 0.439 153 D N 1.503 121.795 120.400 -0.180 0.000 2.423 153 D HA 0.278 4.918 4.640 -0.000 0.000 0.255 153 D C -0.252 175.950 176.300 -0.162 0.000 1.174 153 D CA -0.485 53.419 54.000 -0.160 0.000 1.008 153 D CB 1.435 42.112 40.800 -0.205 0.000 1.101 153 D HN -0.165 nan 8.370 nan 0.000 0.516 154 L N 0.044 121.179 121.223 -0.146 0.000 2.305 154 L HA 0.466 4.806 4.340 -0.000 0.000 0.284 154 L C -0.937 175.813 176.870 -0.200 0.000 1.013 154 L CA -0.398 54.340 54.840 -0.170 0.000 0.819 154 L CB 0.671 42.663 42.059 -0.112 0.000 1.227 154 L HN 0.337 nan 8.230 nan 0.000 0.417 155 R N 2.576 122.888 120.500 -0.313 0.000 2.807 155 R HA 0.347 4.687 4.340 -0.000 0.000 0.276 155 R C -1.084 174.938 176.300 -0.464 0.000 0.979 155 R CA -0.839 54.994 56.100 -0.445 0.000 0.928 155 R CB 1.479 31.278 30.300 -0.836 0.000 1.191 155 R HN 0.478 nan 8.270 nan 0.000 0.471 156 D N 2.328 122.560 120.400 -0.280 0.000 2.741 156 D HA 0.255 4.895 4.640 -0.000 0.000 0.233 156 D C -1.000 175.338 176.300 0.063 0.000 1.160 156 D CA 0.003 53.952 54.000 -0.085 0.000 1.003 156 D CB -0.595 40.219 40.800 0.023 0.000 1.064 156 D HN 0.317 nan 8.370 nan 0.000 0.503 157 F N -1.101 118.906 119.950 0.095 0.000 2.807 157 F HA 0.405 4.932 4.527 -0.000 0.000 0.316 157 F C -0.850 175.021 175.800 0.120 0.000 1.162 157 F CA -1.423 56.621 58.000 0.074 0.000 0.910 157 F CB 0.286 39.308 39.000 0.037 0.000 1.314 157 F HN -0.160 nan 8.300 nan 0.000 0.454 158 D N 0.596 121.183 120.400 0.312 0.000 2.549 158 D HA 0.279 4.919 4.640 -0.000 0.000 0.270 158 D C 0.922 177.172 176.300 -0.083 0.000 1.181 158 D CA -0.717 53.383 54.000 0.167 0.000 1.070 158 D CB 0.613 41.475 40.800 0.103 0.000 1.154 158 D HN 0.741 nan 8.370 nan 0.000 0.602 159 L N -0.315 120.768 121.223 -0.234 0.000 2.046 159 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 159 L C 1.339 178.063 176.870 -0.244 0.000 1.077 159 L CA 1.772 56.329 54.840 -0.472 0.000 0.747 159 L CB -0.288 41.658 42.059 -0.188 0.000 0.896 159 L HN 0.350 nan 8.230 nan 0.000 0.432 160 D N -0.322 120.012 120.400 -0.110 0.000 2.123 160 D HA -0.266 4.374 4.640 -0.000 0.000 0.196 160 D C 1.961 178.217 176.300 -0.073 0.000 0.992 160 D CA 1.533 55.494 54.000 -0.065 0.000 0.833 160 D CB -0.000 40.783 40.800 -0.027 0.000 0.954 160 D HN 0.366 nan 8.370 nan 0.000 0.455 161 E N 0.966 121.124 120.200 -0.070 0.000 2.072 161 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 161 E C 1.719 178.181 176.600 -0.231 0.000 0.985 161 E CA 1.129 57.450 56.400 -0.133 0.000 0.801 161 E CB -0.331 29.299 29.700 -0.116 0.000 0.750 161 E HN 0.052 nan 8.360 nan 0.000 0.452 162 N N -0.341 118.254 118.700 -0.175 0.000 2.166 162 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 162 N C 1.609 177.050 175.510 -0.116 0.000 1.019 162 N CA 1.220 54.179 53.050 -0.151 0.000 0.856 162 N CB -0.126 38.302 38.487 -0.098 0.000 0.993 162 N HN 0.254 nan 8.380 nan 0.000 0.426 163 L N -0.391 120.779 121.223 -0.089 0.000 2.217 163 L HA 0.016 4.356 4.340 -0.000 0.000 0.211 163 L C 2.443 179.371 176.870 0.097 0.000 1.107 163 L CA 0.505 55.371 54.840 0.042 0.000 0.783 163 L CB -0.245 41.823 42.059 0.015 0.000 0.919 163 L HN 0.198 nan 8.230 nan 0.000 0.442 164 R N 0.110 120.602 120.500 -0.013 0.000 2.073 164 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 164 R C 2.477 178.711 176.300 -0.109 0.000 1.134 164 R CA 1.336 57.405 56.100 -0.053 0.000 0.952 164 R CB -0.102 30.149 30.300 -0.081 0.000 0.850 164 R HN 0.345 nan 8.270 nan 0.000 0.433 165 R N 0.278 120.688 120.500 -0.151 0.000 2.073 165 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 165 R C 2.322 178.500 176.300 -0.202 0.000 1.134 165 R CA 1.164 57.152 56.100 -0.187 0.000 0.952 165 R CB -0.584 29.575 30.300 -0.234 0.000 0.850 165 R HN 0.118 nan 8.270 nan 0.000 0.433 166 L N 1.038 122.162 121.223 -0.166 0.000 2.042 166 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 166 L C 2.194 178.939 176.870 -0.208 0.000 1.076 166 L CA 2.023 56.748 54.840 -0.192 0.000 0.749 166 L CB -0.652 41.415 42.059 0.014 0.000 0.893 166 L HN 0.159 nan 8.230 nan 0.000 0.432 167 A N -1.446 121.243 122.820 -0.218 0.000 2.066 167 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 167 A C 2.375 179.772 177.584 -0.311 0.000 1.157 167 A CA 1.312 53.065 52.037 -0.474 0.000 0.670 167 A CB -0.839 17.811 19.000 -0.583 0.000 0.804 167 A HN 0.641 nan 8.150 nan 0.000 0.453 168 S N -0.447 115.121 115.700 -0.222 0.000 2.561 168 S HA 0.451 4.921 4.470 -0.000 0.000 0.225 168 S C 0.896 175.404 174.600 -0.154 0.000 0.977 168 S CA 0.406 58.504 58.200 -0.170 0.000 0.926 168 S CB -0.499 62.617 63.200 -0.140 0.000 0.769 168 S HN 0.794 nan 8.310 nan 0.000 0.533 169 A N 2.399 125.110 122.820 -0.181 0.000 2.316 169 A HA 0.689 5.009 4.320 -0.000 0.000 0.284 169 A C -2.639 174.896 177.584 -0.082 0.000 1.115 169 A CA -1.831 50.137 52.037 -0.116 0.000 0.812 169 A CB -0.115 18.802 19.000 -0.139 0.000 1.064 169 A HN 0.324 nan 8.150 nan 0.000 0.489 170 P HA 0.252 nan 4.420 nan 0.000 0.271 170 P C -0.497 176.772 177.300 -0.051 0.000 1.216 170 P CA -0.074 62.997 63.100 -0.049 0.000 0.776 170 P CB 0.389 32.073 31.700 -0.028 0.000 0.881 171 L N 1.571 122.733 121.223 -0.102 0.000 2.483 171 L HA 0.008 4.348 4.340 -0.000 0.000 0.275 171 L C 1.637 178.395 176.870 -0.187 0.000 1.220 171 L CA 0.384 55.122 54.840 -0.170 0.000 0.833 171 L CB 0.130 42.068 42.059 -0.203 0.000 1.102 171 L HN 0.452 nan 8.230 nan 0.000 0.490 172 S N 1.212 116.715 115.700 -0.328 0.000 2.436 172 S HA 0.120 4.590 4.470 -0.000 0.000 0.228 172 S C -0.226 174.317 174.600 -0.094 0.000 1.014 172 S CA 0.587 58.651 58.200 -0.227 0.000 0.950 172 S CB -0.047 63.015 63.200 -0.229 0.000 0.784 172 S HN 0.512 nan 8.310 nan 0.000 0.504 173 F N -1.780 118.152 119.950 -0.030 0.000 2.773 173 F HA 0.752 5.279 4.527 -0.000 0.000 0.314 173 F C -0.754 175.023 175.800 -0.039 0.000 1.160 173 F CA -2.165 55.820 58.000 -0.025 0.000 0.920 173 F CB 0.456 39.448 39.000 -0.014 0.000 1.323 173 F HN -0.174 nan 8.300 nan 0.000 0.457 174 A N 1.357 124.321 122.820 0.240 0.000 2.477 174 A HA 0.607 4.927 4.320 -0.000 0.000 0.246 174 A C -2.623 175.047 177.584 0.143 0.000 1.078 174 A CA -1.444 50.660 52.037 0.111 0.000 0.770 174 A CB -0.720 18.332 19.000 0.087 0.000 1.011 174 A HN 0.510 nan 8.150 nan 0.000 0.494 175 P HA 0.126 nan 4.420 nan 0.000 0.261 175 P C 1.132 178.324 177.300 -0.179 0.000 1.173 175 P CA 2.227 65.154 63.100 -0.288 0.000 0.760 175 P CB 0.446 31.753 31.700 -0.655 0.000 0.783 176 G N 2.652 111.451 108.800 -0.001 0.000 2.225 176 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 176 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 176 G C 0.961 175.958 174.900 0.162 0.000 0.988 176 G CA 0.495 45.719 45.100 0.206 0.000 0.625 176 G HN 0.639 nan 8.290 nan 0.000 0.527 177 S N -0.282 115.498 115.700 0.134 0.000 2.556 177 S HA 0.615 5.085 4.470 -0.000 0.000 0.216 177 S C 0.994 175.473 174.600 -0.202 0.000 0.970 177 S CA 0.912 59.127 58.200 0.024 0.000 0.912 177 S CB 0.912 64.147 63.200 0.058 0.000 0.790 177 S HN 1.969 nan 8.310 nan 0.000 0.504 178 G N -0.132 108.445 108.800 -0.371 0.000 2.600 178 G HA2 0.475 4.435 3.960 -0.000 0.000 0.293 178 G HA3 0.475 4.435 3.960 -0.000 0.000 0.293 178 G C -2.477 172.269 174.900 -0.256 0.000 1.408 178 G CA -1.028 43.588 45.100 -0.807 0.000 0.782 178 G HN 0.313 nan 8.290 nan 0.000 0.482 179 W N 0.577 121.721 121.300 -0.259 0.000 2.739 179 W HA 0.744 5.404 4.660 -0.000 0.000 0.331 179 W C -0.498 176.125 176.519 0.173 0.000 1.049 179 W CA -0.672 56.708 57.345 0.058 0.000 1.234 179 W CB 1.958 31.435 29.460 0.028 0.000 1.404 179 W HN 0.675 nan 8.180 nan 0.000 0.477 180 Q N 5.556 125.025 119.800 -0.551 0.000 2.281 180 Q HA 0.171 4.511 4.340 -0.000 0.000 0.263 180 Q C -1.805 173.684 176.000 -0.852 0.000 0.989 180 Q CA -0.849 54.661 55.803 -0.488 0.000 0.852 180 Q CB 1.503 30.268 28.738 0.045 0.000 1.337 180 Q HN 0.523 nan 8.270 nan 0.000 0.418 181 Y N 2.611 122.351 120.300 -0.933 0.000 2.597 181 Y HA 0.385 4.935 4.550 -0.000 0.000 0.336 181 Y C -0.278 175.472 175.900 -0.249 0.000 1.216 181 Y CA 1.174 58.859 58.100 -0.692 0.000 1.463 181 Y CB 0.753 39.105 38.460 -0.181 0.000 1.303 181 Y HN 0.718 nan 8.280 nan 0.000 0.576 182 S N 3.478 118.816 115.700 -0.603 0.000 2.643 182 S HA 0.346 4.816 4.470 -0.000 0.000 0.270 182 S C -0.492 173.499 174.600 -1.015 0.000 1.166 182 S CA -1.008 56.806 58.200 -0.644 0.000 0.815 182 S CB 0.651 63.700 63.200 -0.252 0.000 1.139 182 S HN 0.608 nan 8.310 nan 0.000 0.472 183 L N 1.336 122.009 121.223 -0.917 0.000 2.737 183 L HA 0.196 4.536 4.340 -0.000 0.000 0.246 183 L C 2.453 179.162 176.870 -0.267 0.000 1.153 183 L CA 0.578 55.077 54.840 -0.569 0.000 0.920 183 L CB -0.854 41.028 42.059 -0.296 0.000 1.090 183 L HN 0.914 nan 8.230 nan 0.000 0.430 184 A N -0.077 122.598 122.820 -0.242 0.000 1.978 184 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 184 A C 2.094 179.558 177.584 -0.200 0.000 1.170 184 A CA 1.262 53.157 52.037 -0.237 0.000 0.636 184 A CB -0.245 18.544 19.000 -0.351 0.000 0.810 184 A HN 0.343 nan 8.150 nan 0.000 0.448 185 L N -0.580 120.574 121.223 -0.115 0.000 2.313 185 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 185 L C 1.477 178.345 176.870 -0.004 0.000 1.119 185 L CA 1.654 56.475 54.840 -0.032 0.000 0.809 185 L CB -1.277 40.836 42.059 0.090 0.000 0.933 185 L HN 0.374 nan 8.230 nan 0.000 0.449 186 D N -0.570 119.827 120.400 -0.005 0.000 2.149 186 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 186 D C 2.339 178.583 176.300 -0.093 0.000 0.972 186 D CA 0.714 54.724 54.000 0.018 0.000 0.835 186 D CB 0.188 41.026 40.800 0.063 0.000 0.966 186 D HN -0.010 nan 8.370 nan 0.000 0.476 187 V N 0.690 120.483 119.914 -0.202 0.000 2.295 187 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 187 V C 2.403 178.342 176.094 -0.258 0.000 1.049 187 V CA 1.296 63.385 62.300 -0.352 0.000 1.024 187 V CB -0.519 30.972 31.823 -0.553 0.000 0.648 187 V HN 0.259 nan 8.190 nan 0.000 0.447 188 L N 0.430 121.532 121.223 -0.200 0.000 2.191 188 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 188 L C 2.611 179.399 176.870 -0.137 0.000 1.103 188 L CA 1.459 56.192 54.840 -0.179 0.000 0.769 188 L CB -1.079 40.884 42.059 -0.159 0.000 0.908 188 L HN 0.485 nan 8.230 nan 0.000 0.438 189 G N -0.244 108.508 108.800 -0.079 0.000 2.440 189 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 189 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 189 G C 1.765 176.615 174.900 -0.082 0.000 1.154 189 G CA 0.835 45.909 45.100 -0.044 0.000 0.767 189 G HN 0.474 nan 8.290 nan 0.000 0.552 190 A N -0.009 122.751 122.820 -0.100 0.000 1.930 190 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 190 A C 2.603 180.134 177.584 -0.090 0.000 1.175 190 A CA 1.700 53.681 52.037 -0.093 0.000 0.627 190 A CB -0.557 18.377 19.000 -0.111 0.000 0.815 190 A HN 0.253 nan 8.150 nan 0.000 0.443 191 V N -0.246 119.585 119.914 -0.138 0.000 2.287 191 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 191 V C 2.588 178.526 176.094 -0.260 0.000 1.053 191 V CA 2.090 64.272 62.300 -0.196 0.000 1.027 191 V CB -0.833 30.795 31.823 -0.325 0.000 0.646 191 V HN 0.381 nan 8.190 nan 0.000 0.447 192 V N -0.159 119.623 119.914 -0.219 0.000 2.332 192 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 192 V C 2.426 178.453 176.094 -0.111 0.000 1.055 192 V CA 2.233 64.427 62.300 -0.177 0.000 1.038 192 V CB -0.725 31.026 31.823 -0.121 0.000 0.651 192 V HN 0.634 nan 8.190 nan 0.000 0.450 193 E N -0.132 120.018 120.200 -0.083 0.000 2.085 193 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 193 E C 2.485 179.078 176.600 -0.010 0.000 0.994 193 E CA 1.186 57.556 56.400 -0.049 0.000 0.801 193 E CB -0.183 29.487 29.700 -0.049 0.000 0.743 193 E HN 0.558 nan 8.360 nan 0.000 0.453 194 R N 0.344 120.854 120.500 0.018 0.000 2.092 194 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 194 R C 2.294 178.685 176.300 0.153 0.000 1.119 194 R CA 1.034 57.199 56.100 0.110 0.000 0.970 194 R CB -0.414 30.014 30.300 0.213 0.000 0.864 194 R HN 0.101 nan 8.270 nan 0.000 0.440 195 A N 0.459 123.320 122.820 0.069 0.000 1.930 195 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 195 A C 2.230 179.843 177.584 0.049 0.000 1.175 195 A CA 1.946 54.030 52.037 0.078 0.000 0.627 195 A CB -0.515 18.384 19.000 -0.168 0.000 0.815 195 A HN 0.315 nan 8.150 nan 0.000 0.443 196 T N -2.084 112.473 114.554 0.005 0.000 3.051 196 T HA 0.326 4.676 4.350 -0.000 0.000 0.255 196 T C 1.263 175.970 174.700 0.012 0.000 1.085 196 T CA 1.424 63.525 62.100 0.001 0.000 1.109 196 T CB -0.401 68.454 68.868 -0.022 0.000 0.921 196 T HN 1.513 nan 8.240 nan 0.000 0.488 197 G N 1.630 110.441 108.800 0.019 0.000 2.198 197 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 197 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 197 G C -0.202 174.701 174.900 0.004 0.000 1.025 197 G CA 0.483 45.594 45.100 0.017 0.000 0.769 197 G HN 0.611 nan 8.290 nan 0.000 0.507 198 Q N -0.497 119.299 119.800 -0.008 0.000 2.433 198 Q HA 0.538 4.878 4.340 -0.000 0.000 0.279 198 Q C -2.592 173.387 176.000 -0.035 0.000 1.105 198 Q CA -2.304 53.489 55.803 -0.016 0.000 0.815 198 Q CB 2.381 31.110 28.738 -0.015 0.000 1.403 198 Q HN 0.125 nan 8.270 nan 0.000 0.435 199 P HA -0.068 nan 4.420 nan 0.000 0.269 199 P C 0.226 177.447 177.300 -0.131 0.000 1.215 199 P CA -0.194 62.859 63.100 -0.079 0.000 0.780 199 P CB 0.581 32.240 31.700 -0.068 0.000 0.898 200 L N 2.953 124.044 121.223 -0.219 0.000 2.079 200 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 200 L C 2.166 178.815 176.870 -0.368 0.000 1.081 200 L CA 2.318 56.977 54.840 -0.302 0.000 0.752 200 L CB -1.569 40.230 42.059 -0.434 0.000 0.896 200 L HN 0.448 nan 8.230 nan 0.000 0.433 201 A N -0.526 122.008 122.820 -0.476 0.000 1.883 201 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 201 A C 2.461 180.054 177.584 0.015 0.000 1.186 201 A CA 2.042 53.979 52.037 -0.167 0.000 0.624 201 A CB -1.216 17.775 19.000 -0.015 0.000 0.822 201 A HN 0.558 nan 8.150 nan 0.000 0.444 202 A N -0.353 122.454 122.820 -0.021 0.000 1.898 202 A HA 0.195 4.515 4.320 -0.000 0.000 0.216 202 A C 2.501 180.093 177.584 0.014 0.000 1.181 202 A CA 2.038 54.081 52.037 0.011 0.000 0.620 202 A CB -0.984 18.016 19.000 0.000 0.000 0.819 202 A HN 1.067 nan 8.150 nan 0.000 0.442 203 A N -0.562 122.253 122.820 -0.009 0.000 1.902 203 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 203 A C 2.217 179.821 177.584 0.033 0.000 1.181 203 A CA 1.775 53.812 52.037 -0.000 0.000 0.623 203 A CB -0.918 18.067 19.000 -0.026 0.000 0.818 203 A HN 0.380 nan 8.150 nan 0.000 0.443 204 V N 0.320 120.275 119.914 0.067 0.000 2.407 204 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 204 V C 2.276 178.429 176.094 0.098 0.000 1.055 204 V CA 2.468 64.839 62.300 0.119 0.000 1.049 204 V CB -0.809 31.161 31.823 0.244 0.000 0.662 204 V HN 0.685 nan 8.190 nan 0.000 0.455 205 D N 0.000 120.454 120.400 0.089 0.000 2.123 205 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 205 D C 2.118 178.452 176.300 0.057 0.000 0.992 205 D CA 1.557 55.596 54.000 0.065 0.000 0.833 205 D CB -0.116 40.721 40.800 0.061 0.000 0.954 205 D HN 0.400 nan 8.370 nan 0.000 0.455 206 A N -0.344 122.506 122.820 0.049 0.000 1.897 206 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 206 A C 2.267 179.883 177.584 0.053 0.000 1.181 206 A CA 0.843 52.905 52.037 0.042 0.000 0.620 206 A CB -0.625 18.391 19.000 0.027 0.000 0.821 206 A HN 0.315 nan 8.150 nan 0.000 0.443 207 L N -1.272 119.984 121.223 0.056 0.000 2.209 207 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 207 L C 1.852 178.813 176.870 0.151 0.000 1.094 207 L CA 0.627 55.502 54.840 0.058 0.000 0.790 207 L CB 0.047 42.121 42.059 0.025 0.000 0.932 207 L HN 0.265 nan 8.230 nan 0.000 0.447 208 V N -1.914 118.101 119.914 0.168 0.000 3.161 208 V HA 0.212 4.332 4.120 -0.000 0.000 0.221 208 V C 2.160 178.316 176.094 0.103 0.000 1.296 208 V CA 0.834 63.277 62.300 0.239 0.000 1.306 208 V CB 0.058 31.990 31.823 0.182 0.000 1.171 208 V HN 0.176 nan 8.190 nan 0.000 0.513 209 A N 0.171 123.022 122.820 0.052 0.000 1.877 209 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 209 A C 2.147 179.734 177.584 0.005 0.000 1.186 209 A CA 2.190 54.227 52.037 0.000 0.000 0.620 209 A CB -0.617 18.379 19.000 -0.006 0.000 0.822 209 A HN 0.540 nan 8.150 nan 0.000 0.443 210 Q N 0.057 119.875 119.800 0.031 0.000 2.020 210 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 210 Q C -0.732 175.289 176.000 0.035 0.000 0.982 210 Q CA 2.173 57.993 55.803 0.029 0.000 0.838 210 Q CB -1.351 27.409 28.738 0.037 0.000 0.899 210 Q HN 0.433 nan 8.270 nan 0.000 0.423 211 P HA -0.091 nan 4.420 nan 0.000 0.218 211 P C 1.085 178.403 177.300 0.031 0.000 1.148 211 P CA 1.170 64.328 63.100 0.098 0.000 0.822 211 P CB -0.160 31.681 31.700 0.235 0.000 0.784 212 L N -2.582 118.618 121.223 -0.039 0.000 2.592 212 L HA 0.287 4.627 4.340 -0.000 0.000 0.227 212 L C 1.315 178.131 176.870 -0.091 0.000 1.127 212 L CA 0.515 55.272 54.840 -0.138 0.000 0.884 212 L CB -0.805 41.092 42.059 -0.270 0.000 1.065 212 L HN 0.112 nan 8.230 nan 0.000 0.457 213 G N 0.677 109.448 108.800 -0.049 0.000 2.147 213 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 213 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 213 G C 0.206 175.077 174.900 -0.049 0.000 1.005 213 G CA -0.090 44.985 45.100 -0.041 0.000 0.713 213 G HN 0.298 nan 8.290 nan 0.000 0.515 214 M N 0.190 119.755 119.600 -0.058 0.000 2.201 214 M HA 0.374 4.854 4.480 -0.000 0.000 0.345 214 M C 1.495 177.767 176.300 -0.046 0.000 1.352 214 M CA 0.013 55.273 55.300 -0.066 0.000 1.218 214 M CB 0.605 33.152 32.600 -0.089 0.000 1.512 214 M HN 0.172 nan 8.290 nan 0.000 0.447 215 R N 0.546 121.026 120.500 -0.034 0.000 2.312 215 R HA 0.085 4.425 4.340 -0.000 0.000 0.205 215 R C -0.203 176.096 176.300 -0.002 0.000 0.904 215 R CA 0.385 56.478 56.100 -0.012 0.000 1.052 215 R CB 0.560 30.858 30.300 -0.005 0.000 1.014 215 R HN 0.602 nan 8.270 nan 0.000 0.503 216 D N 0.645 121.032 120.400 -0.023 0.000 2.980 216 D HA 0.125 4.765 4.640 -0.000 0.000 0.333 216 D C -0.410 175.859 176.300 -0.052 0.000 1.356 216 D CA 0.052 54.061 54.000 0.016 0.000 0.847 216 D CB 0.525 41.335 40.800 0.017 0.000 1.122 216 D HN 0.217 nan 8.370 nan 0.000 0.475 217 C N -2.154 117.024 119.300 -0.204 0.000 3.236 217 C HA 1.024 5.484 4.460 -0.000 0.000 0.312 217 C C 0.467 175.011 174.990 -0.743 0.000 1.374 217 C CA -0.486 58.187 59.018 -0.576 0.000 1.455 217 C CB 1.654 29.182 27.740 -0.353 0.000 1.834 217 C HN 0.381 nan 8.230 nan 0.000 0.460 218 G N -0.356 107.797 108.800 -1.079 0.000 2.336 218 G HA2 0.460 4.420 3.960 -0.000 0.000 0.286 218 G HA3 0.460 4.420 3.960 -0.000 0.000 0.286 218 G C -0.975 173.731 174.900 -0.323 0.000 1.269 218 G CA -0.128 44.720 45.100 -0.420 0.000 0.873 218 G HN 0.622 nan 8.290 nan 0.000 0.494 219 F N -0.653 119.361 119.950 0.107 0.000 2.711 219 F HA 0.508 5.035 4.527 -0.000 0.000 0.296 219 F C 0.794 176.744 175.800 0.250 0.000 1.096 219 F CA -0.015 58.087 58.000 0.170 0.000 1.280 219 F CB 1.326 40.380 39.000 0.090 0.000 1.060 219 F HN 0.260 nan 8.300 nan 0.000 0.608 220 V N -0.165 120.028 119.914 0.466 0.000 2.638 220 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 220 V C -0.489 175.744 176.094 0.231 0.000 1.052 220 V CA -0.859 61.592 62.300 0.252 0.000 0.885 220 V CB 1.746 33.673 31.823 0.175 0.000 0.999 220 V HN 0.008 nan 8.190 nan 0.000 0.424 221 S N 2.902 118.611 115.700 0.015 0.000 2.568 221 S HA 0.794 5.264 4.470 -0.000 0.000 0.302 221 S C 0.454 175.160 174.600 0.177 0.000 1.082 221 S CA 0.218 58.416 58.200 -0.003 0.000 1.009 221 S CB 1.979 65.013 63.200 -0.276 0.000 1.069 221 S HN 1.079 nan 8.310 nan 0.000 0.500 222 A N 2.801 125.692 122.820 0.118 0.000 2.535 222 A HA 0.436 4.756 4.320 -0.000 0.000 0.273 222 A C -0.049 177.523 177.584 -0.021 0.000 1.267 222 A CA -0.302 51.764 52.037 0.050 0.000 0.940 222 A CB -0.029 18.991 19.000 0.033 0.000 1.101 222 A HN 0.799 nan 8.150 nan 0.000 0.521 223 E N 0.915 121.142 120.200 0.045 0.000 3.167 223 E HA 0.140 4.490 4.350 -0.000 0.000 0.212 223 E C -2.039 174.605 176.600 0.074 0.000 1.143 223 E CA -1.781 54.634 56.400 0.025 0.000 1.002 223 E CB 1.079 30.824 29.700 0.075 0.000 1.315 223 E HN 0.263 nan 8.360 nan 0.000 0.422 224 P HA -0.248 nan 4.420 nan 0.000 0.219 224 P C 1.121 178.426 177.300 0.009 0.000 1.146 224 P CA 1.210 64.088 63.100 -0.371 0.000 0.808 224 P CB 0.315 31.489 31.700 -0.876 0.000 0.779 225 E N 0.803 120.988 120.200 -0.026 0.000 2.418 225 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 225 E C 1.556 178.171 176.600 0.024 0.000 1.026 225 E CA 0.669 57.064 56.400 -0.008 0.000 0.862 225 E CB -0.538 29.140 29.700 -0.037 0.000 0.799 225 E HN 0.314 nan 8.360 nan 0.000 0.518 226 R N -0.543 120.001 120.500 0.074 0.000 2.300 226 R HA 0.223 4.563 4.340 -0.000 0.000 0.199 226 R C -0.045 176.171 176.300 -0.140 0.000 0.920 226 R CA -0.129 55.950 56.100 -0.034 0.000 1.046 226 R CB 0.156 30.413 30.300 -0.072 0.000 0.984 226 R HN 0.013 nan 8.270 nan 0.000 0.493 227 F N 0.787 120.685 119.950 -0.088 0.000 2.379 227 F HA 0.356 4.883 4.527 -0.000 0.000 0.332 227 F C 0.698 176.378 175.800 -0.200 0.000 1.096 227 F CA -1.176 56.740 58.000 -0.140 0.000 1.105 227 F CB 0.854 39.846 39.000 -0.013 0.000 1.189 227 F HN -0.072 nan 8.300 nan 0.000 0.515 228 A N 2.873 125.554 122.820 -0.232 0.000 2.484 228 A HA 0.388 4.708 4.320 -0.000 0.000 0.268 228 A C -0.379 177.210 177.584 0.009 0.000 1.114 228 A CA -0.405 51.497 52.037 -0.226 0.000 0.780 228 A CB -0.473 18.161 19.000 -0.609 0.000 1.061 228 A HN 0.528 nan 8.150 nan 0.000 0.505 229 V N 6.671 126.621 119.914 0.060 0.000 2.479 229 V HA 0.164 4.284 4.120 -0.000 0.000 0.281 229 V C -1.960 174.106 176.094 -0.046 0.000 1.031 229 V CA -0.864 61.439 62.300 0.005 0.000 1.038 229 V CB 0.941 32.767 31.823 0.004 0.000 0.981 229 V HN 0.757 nan 8.190 nan 0.000 0.478 230 P HA 0.375 nan 4.420 nan 0.000 0.279 230 P C -1.358 175.689 177.300 -0.421 0.000 1.239 230 P CA -0.124 62.917 63.100 -0.099 0.000 0.789 230 P CB 0.433 32.128 31.700 -0.008 0.000 0.933 231 Y N 0.810 121.078 120.300 -0.052 0.000 2.536 231 Y HA 0.531 5.081 4.550 -0.000 0.000 0.347 231 Y C 0.805 176.612 175.900 -0.155 0.000 1.000 231 Y CA -0.433 57.595 58.100 -0.121 0.000 1.051 231 Y CB 1.602 39.999 38.460 -0.104 0.000 1.259 231 Y HN 0.497 nan 8.280 nan 0.000 0.468 232 H N -2.187 116.845 119.070 -0.064 0.000 2.731 232 H HA 0.508 5.064 4.556 -0.000 0.000 0.368 232 H C -1.268 174.020 175.328 -0.066 0.000 1.168 232 H CA -1.316 54.622 56.048 -0.184 0.000 1.181 232 H CB 0.873 30.443 29.762 -0.319 0.000 1.743 232 H HN 0.397 nan 8.280 nan 0.000 0.547 233 D N 0.305 120.737 120.400 0.054 0.000 2.515 233 D HA 0.367 5.007 4.640 -0.000 0.000 0.232 233 D C 0.722 177.057 176.300 0.058 0.000 1.157 233 D CA 1.611 55.641 54.000 0.050 0.000 0.871 233 D CB 0.897 41.748 40.800 0.085 0.000 1.200 233 D HN 0.906 nan 8.370 nan 0.000 0.466 234 G N -0.140 108.665 108.800 0.008 0.000 2.489 234 G HA2 0.424 4.384 3.960 -0.000 0.000 0.305 234 G HA3 0.424 4.384 3.960 -0.000 0.000 0.305 234 G C -1.700 173.202 174.900 0.002 0.000 1.311 234 G CA -0.501 44.603 45.100 0.007 0.000 0.813 234 G HN 0.349 nan 8.290 nan 0.000 0.480 235 Q N -0.409 119.394 119.800 0.005 0.000 2.379 235 Q HA 0.626 4.966 4.340 -0.000 0.000 0.278 235 Q C -1.998 174.003 176.000 0.001 0.000 1.068 235 Q CA -1.486 54.319 55.803 0.004 0.000 0.816 235 Q CB 2.433 31.180 28.738 0.014 0.000 1.387 235 Q HN 0.387 nan 8.270 nan 0.000 0.413 236 P HA 0.075 nan 4.420 nan 0.000 0.253 236 P C -1.065 176.226 177.300 -0.015 0.000 1.281 236 P CA 0.336 63.433 63.100 -0.005 0.000 0.792 236 P CB 0.291 31.989 31.700 -0.004 0.000 1.193 237 E N -0.936 119.250 120.200 -0.023 0.000 2.375 237 E HA 0.460 4.810 4.350 -0.000 0.000 0.280 237 E C -3.277 173.290 176.600 -0.056 0.000 0.972 237 E CA -2.680 53.695 56.400 -0.042 0.000 0.782 237 E CB 0.858 30.530 29.700 -0.047 0.000 1.229 237 E HN -0.287 nan 8.360 nan 0.000 0.439 238 P HA -0.105 nan 4.420 nan 0.000 0.265 238 P C -0.646 176.628 177.300 -0.045 0.000 1.167 238 P CA 0.122 63.169 63.100 -0.088 0.000 0.760 238 P CB 0.401 32.035 31.700 -0.110 0.000 0.783 239 V N 4.496 124.287 119.914 -0.205 0.000 2.439 239 V HA 0.273 4.393 4.120 -0.000 0.000 0.282 239 V C 0.909 176.923 176.094 -0.134 0.000 1.039 239 V CA -0.603 61.568 62.300 -0.214 0.000 0.913 239 V CB 1.096 32.627 31.823 -0.487 0.000 0.983 239 V HN 0.440 nan 8.190 nan 0.000 0.460 240 R N 4.595 125.051 120.500 -0.073 0.000 2.421 240 R HA 0.253 4.593 4.340 -0.000 0.000 0.305 240 R C 0.040 176.192 176.300 -0.247 0.000 1.039 240 R CA -0.131 55.737 56.100 -0.385 0.000 1.003 240 R CB 0.225 30.368 30.300 -0.261 0.000 0.959 240 R HN 0.692 nan 8.270 nan 0.000 0.427 241 M N 4.864 124.300 119.600 -0.273 0.000 2.243 241 M HA 0.155 4.635 4.480 -0.000 0.000 0.341 241 M C 0.380 176.640 176.300 -0.066 0.000 1.130 241 M CA 0.665 55.908 55.300 -0.095 0.000 1.162 241 M CB 0.897 33.437 32.600 -0.100 0.000 1.497 241 M HN 0.624 nan 8.290 nan 0.000 0.456 242 R N 0.168 120.664 120.500 -0.006 0.000 2.888 242 R HA 0.578 4.918 4.340 -0.000 0.000 0.264 242 R C -1.399 174.915 176.300 0.024 0.000 1.045 242 R CA -1.179 54.920 56.100 -0.002 0.000 0.962 242 R CB 0.746 31.044 30.300 -0.004 0.000 1.210 242 R HN 0.362 nan 8.270 nan 0.000 0.479 243 D N -0.254 120.157 120.400 0.019 0.000 2.419 243 D HA 0.244 4.884 4.640 -0.000 0.000 0.236 243 D C 1.238 177.550 176.300 0.020 0.000 1.165 243 D CA 1.978 55.992 54.000 0.024 0.000 0.882 243 D CB 0.777 41.581 40.800 0.007 0.000 1.201 243 D HN 0.827 nan 8.370 nan 0.000 0.443 244 G N 0.694 109.502 108.800 0.013 0.000 2.217 244 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 244 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 244 G C 0.476 175.382 174.900 0.010 0.000 0.990 244 G CA -0.138 44.962 45.100 -0.001 0.000 0.627 244 G HN 0.511 nan 8.290 nan 0.000 0.522 245 I N 1.769 122.363 120.570 0.039 0.000 2.575 245 I HA 0.432 4.602 4.170 -0.000 0.000 0.285 245 I C 0.218 176.368 176.117 0.056 0.000 1.085 245 I CA 0.033 61.359 61.300 0.044 0.000 1.403 245 I CB 1.337 39.364 38.000 0.046 0.000 1.409 245 I HN 0.339 nan 8.210 nan 0.000 0.557 246 E N 6.392 126.617 120.200 0.040 0.000 2.114 246 E HA 0.408 4.758 4.350 -0.000 0.000 0.266 246 E C -1.604 175.034 176.600 0.064 0.000 0.896 246 E CA -0.590 55.849 56.400 0.066 0.000 0.750 246 E CB 1.268 31.020 29.700 0.088 0.000 1.121 246 E HN 0.396 nan 8.360 nan 0.000 0.413 247 V N 7.230 127.220 119.914 0.127 0.000 2.370 247 V HA 0.375 4.495 4.120 -0.000 0.000 0.283 247 V C -2.047 174.199 176.094 0.254 0.000 1.023 247 V CA -1.864 60.489 62.300 0.089 0.000 0.857 247 V CB 1.203 33.021 31.823 -0.008 0.000 0.985 247 V HN 0.689 nan 8.190 nan 0.000 0.443 248 P HA 0.254 nan 4.420 nan 0.000 0.275 248 P C -0.510 176.900 177.300 0.183 0.000 1.227 248 P CA -0.204 62.998 63.100 0.171 0.000 0.781 248 P CB 1.138 32.902 31.700 0.106 0.000 0.906 249 L N 5.064 126.303 121.223 0.027 0.000 2.439 249 L HA 0.337 4.677 4.340 -0.000 0.000 0.261 249 L C -1.510 175.270 176.870 -0.150 0.000 1.153 249 L CA -1.824 52.881 54.840 -0.225 0.000 0.808 249 L CB -0.229 41.697 42.059 -0.223 0.000 1.126 249 L HN 0.317 nan 8.230 nan 0.000 0.460 250 P HA -0.048 nan 4.420 nan 0.000 0.285 250 P C -0.962 176.317 177.300 -0.035 0.000 1.282 250 P CA -0.469 62.526 63.100 -0.175 0.000 0.778 250 P CB 0.224 31.680 31.700 -0.407 0.000 1.222 251 E N 0.634 120.837 120.200 0.005 0.000 2.265 251 E HA 0.203 4.553 4.350 -0.000 0.000 0.272 251 E C 0.418 177.135 176.600 0.196 0.000 1.067 251 E CA 0.318 56.758 56.400 0.067 0.000 0.900 251 E CB -0.953 28.769 29.700 0.036 0.000 1.017 251 E HN 0.734 nan 8.360 nan 0.000 0.431 252 G N 4.719 113.591 108.800 0.119 0.000 2.149 252 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.235 252 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.235 252 G C 0.123 174.924 174.900 -0.167 0.000 1.018 252 G CA 0.456 45.560 45.100 0.006 0.000 0.728 252 G HN 0.749 nan 8.290 nan 0.000 0.508 253 H N -0.822 118.191 119.070 -0.095 0.000 3.360 253 H HA 0.505 5.061 4.556 -0.000 0.000 0.262 253 H C 1.311 176.576 175.328 -0.105 0.000 1.149 253 H CA 1.078 57.049 56.048 -0.127 0.000 1.181 253 H CB 1.290 30.927 29.762 -0.208 0.000 1.564 253 H HN 1.465 nan 8.280 nan 0.000 0.565 254 G N -0.224 108.580 108.800 0.008 0.000 2.354 254 G HA2 0.195 4.155 3.960 -0.000 0.000 0.582 254 G HA3 0.195 4.155 3.960 -0.000 0.000 0.582 254 G C 0.547 175.429 174.900 -0.028 0.000 1.316 254 G CA -0.253 44.836 45.100 -0.018 0.000 0.995 254 G HN 0.339 nan 8.290 nan 0.000 0.573 255 A N -0.216 122.572 122.820 -0.053 0.000 1.822 255 A HA 0.808 5.128 4.320 -0.000 0.000 0.214 255 A C 1.537 179.137 177.584 0.027 0.000 1.245 255 A CA 3.383 55.388 52.037 -0.053 0.000 0.608 255 A CB -0.700 18.199 19.000 -0.168 0.000 0.896 255 A HN 2.760 nan 8.150 nan 0.000 0.457 256 A N -3.167 119.720 122.820 0.112 0.000 2.568 256 A HA 0.615 4.935 4.320 -0.000 0.000 0.291 256 A C -1.462 176.314 177.584 0.320 0.000 1.159 256 A CA -0.159 52.019 52.037 0.235 0.000 0.679 256 A CB 0.717 19.889 19.000 0.287 0.000 1.285 256 A HN 0.845 nan 8.150 nan 0.000 0.428 257 V N 0.565 120.602 119.914 0.205 0.000 2.709 257 V HA 0.536 4.656 4.120 -0.000 0.000 0.308 257 V C -0.372 175.586 176.094 -0.225 0.000 1.062 257 V CA -0.519 61.724 62.300 -0.095 0.000 0.901 257 V CB 1.838 33.445 31.823 -0.359 0.000 1.003 257 V HN 0.801 nan 8.190 nan 0.000 0.425 258 R N 3.345 123.599 120.500 -0.409 0.000 2.246 258 R HA 0.554 4.894 4.340 -0.000 0.000 0.332 258 R C -1.423 174.665 176.300 -0.353 0.000 0.974 258 R CA -0.243 55.664 56.100 -0.322 0.000 0.837 258 R CB 1.093 31.142 30.300 -0.417 0.000 1.145 258 R HN 0.525 nan 8.270 nan 0.000 0.467 259 F N 1.128 120.993 119.950 -0.142 0.000 2.422 259 F HA 0.489 5.016 4.527 -0.000 0.000 0.333 259 F C 0.511 176.275 175.800 -0.060 0.000 1.095 259 F CA -0.568 57.357 58.000 -0.125 0.000 1.038 259 F CB 1.981 40.903 39.000 -0.130 0.000 1.156 259 F HN 0.448 nan 8.300 nan 0.000 0.483 260 A N 4.702 127.624 122.820 0.169 0.000 2.646 260 A HA 0.509 4.829 4.320 -0.000 0.000 0.312 260 A C -2.227 175.439 177.584 0.137 0.000 1.245 260 A CA -1.376 50.722 52.037 0.101 0.000 0.755 260 A CB 0.450 19.453 19.000 0.005 0.000 1.132 260 A HN 0.507 nan 8.150 nan 0.000 0.458 261 P HA -0.198 nan 4.420 nan 0.000 0.220 261 P C 1.626 178.880 177.300 -0.077 0.000 1.144 261 P CA 2.019 65.146 63.100 0.046 0.000 0.800 261 P CB 0.308 32.018 31.700 0.017 0.000 0.772 262 S N -1.245 114.441 115.700 -0.023 0.000 2.562 262 S HA -0.022 4.448 4.470 -0.000 0.000 0.221 262 S C 1.972 176.511 174.600 -0.102 0.000 0.975 262 S CA -0.059 58.139 58.200 -0.003 0.000 0.918 262 S CB -0.709 62.519 63.200 0.046 0.000 0.772 262 S HN 0.011 nan 8.310 nan 0.000 0.531 263 R N 0.680 121.103 120.500 -0.130 0.000 2.105 263 R HA -0.029 4.311 4.340 -0.000 0.000 0.239 263 R C 2.092 178.262 176.300 -0.217 0.000 1.135 263 R CA 1.506 57.525 56.100 -0.136 0.000 0.967 263 R CB -0.662 29.580 30.300 -0.097 0.000 0.861 263 R HN 0.402 nan 8.270 nan 0.000 0.442 264 V N 0.459 120.113 119.914 -0.434 0.000 2.720 264 V HA -0.158 3.962 4.120 -0.000 0.000 0.256 264 V C 0.782 176.507 176.094 -0.614 0.000 1.082 264 V CA 1.503 63.460 62.300 -0.572 0.000 1.101 264 V CB -0.289 31.007 31.823 -0.878 0.000 0.693 264 V HN 0.282 nan 8.190 nan 0.000 0.479 265 F N 0.020 119.849 119.950 -0.202 0.000 2.695 265 F HA 0.409 4.936 4.527 -0.000 0.000 0.303 265 F C 0.840 176.583 175.800 -0.095 0.000 1.091 265 F CA -0.582 57.313 58.000 -0.175 0.000 1.300 265 F CB 0.004 38.878 39.000 -0.210 0.000 1.071 265 F HN 0.160 nan 8.300 nan 0.000 0.578 266 E N 1.884 122.102 120.200 0.031 0.000 2.081 266 E HA 0.293 4.643 4.350 -0.000 0.000 0.276 266 E C -2.084 174.529 176.600 0.021 0.000 0.950 266 E CA -2.746 53.668 56.400 0.023 0.000 0.776 266 E CB 1.191 30.884 29.700 -0.011 0.000 1.094 266 E HN -0.081 nan 8.360 nan 0.000 0.402 267 P HA -0.011 nan 4.420 nan 0.000 0.222 267 P C 0.793 178.111 177.300 0.030 0.000 1.147 267 P CA 1.059 64.183 63.100 0.041 0.000 0.790 267 P CB 0.406 32.130 31.700 0.040 0.000 0.780 268 G N -0.851 107.959 108.800 0.017 0.000 2.985 268 G HA2 0.238 4.198 3.960 -0.000 0.000 0.209 268 G HA3 0.238 4.198 3.960 -0.000 0.000 0.209 268 G C 0.439 175.340 174.900 0.001 0.000 1.165 268 G CA 0.077 45.187 45.100 0.016 0.000 0.776 268 G HN 0.376 nan 8.290 nan 0.000 0.541 269 A N 0.973 123.777 122.820 -0.028 0.000 2.451 269 A HA 0.506 4.826 4.320 -0.000 0.000 0.266 269 A C 0.176 177.721 177.584 -0.065 0.000 1.119 269 A CA -0.733 51.242 52.037 -0.102 0.000 0.786 269 A CB -0.439 18.488 19.000 -0.123 0.000 1.061 269 A HN 0.553 nan 8.150 nan 0.000 0.503 270 Y N 2.544 122.837 120.300 -0.012 0.000 2.480 270 Y HA 0.470 5.020 4.550 -0.000 0.000 0.338 270 Y C -2.192 173.734 175.900 0.043 0.000 1.220 270 Y CA -3.159 54.946 58.100 0.008 0.000 1.430 270 Y CB -0.487 37.983 38.460 0.017 0.000 1.311 270 Y HN 0.485 nan 8.280 nan 0.000 0.575 271 P HA 0.017 nan 4.420 nan 0.000 0.271 271 P C -0.677 176.809 177.300 0.309 0.000 1.233 271 P CA -0.087 63.085 63.100 0.119 0.000 0.764 271 P CB 1.247 32.760 31.700 -0.312 0.000 0.825 272 S N 2.601 118.527 115.700 0.376 0.000 2.423 272 S HA 0.404 4.874 4.470 -0.000 0.000 0.317 272 S C 1.666 176.495 174.600 0.382 0.000 1.065 272 S CA -0.285 58.133 58.200 0.363 0.000 1.111 272 S CB -0.081 63.268 63.200 0.247 0.000 0.968 272 S HN 0.496 nan 8.310 nan 0.000 0.474 273 G N 3.442 112.425 108.800 0.306 0.000 2.498 273 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.219 273 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.219 273 G C 1.074 176.118 174.900 0.240 0.000 1.119 273 G CA 0.538 45.802 45.100 0.274 0.000 0.766 273 G HN 0.854 nan 8.290 nan 0.000 0.552 274 G N -0.819 108.130 108.800 0.249 0.000 2.796 274 G HA2 0.400 4.360 3.960 -0.000 0.000 0.210 274 G HA3 0.400 4.360 3.960 -0.000 0.000 0.210 274 G C 0.961 176.047 174.900 0.310 0.000 1.146 274 G CA 1.120 46.393 45.100 0.289 0.000 0.779 274 G HN 0.736 nan 8.290 nan 0.000 0.535 275 A N -0.926 122.051 122.820 0.262 0.000 2.736 275 A HA 0.509 4.829 4.320 -0.000 0.000 0.222 275 A C 1.676 179.373 177.584 0.188 0.000 1.267 275 A CA 0.944 53.120 52.037 0.233 0.000 1.026 275 A CB -0.001 19.115 19.000 0.193 0.000 1.281 275 A HN 0.398 nan 8.150 nan 0.000 0.577 276 G N -0.231 108.662 108.800 0.156 0.000 3.126 276 G HA2 0.398 4.358 3.960 -0.000 0.000 0.224 276 G HA3 0.398 4.358 3.960 -0.000 0.000 0.224 276 G C 0.507 175.364 174.900 -0.071 0.000 1.142 276 G CA -0.005 45.167 45.100 0.120 0.000 0.759 276 G HN 0.356 nan 8.290 nan 0.000 0.550 277 M N 0.245 119.700 119.600 -0.242 0.000 2.371 277 M HA 0.497 4.977 4.480 -0.000 0.000 0.301 277 M C -0.297 175.963 176.300 -0.066 0.000 1.173 277 M CA -1.067 53.964 55.300 -0.448 0.000 1.020 277 M CB 1.473 33.707 32.600 -0.610 0.000 1.490 277 M HN 0.265 nan 8.290 nan 0.000 0.485 278 Y N -1.189 119.045 120.300 -0.110 0.000 2.598 278 Y HA 0.961 5.511 4.550 -0.000 0.000 0.340 278 Y C -0.438 175.442 175.900 -0.034 0.000 1.038 278 Y CA -0.990 57.124 58.100 0.023 0.000 1.100 278 Y CB 1.537 40.114 38.460 0.194 0.000 1.281 278 Y HN 0.720 nan 8.280 nan 0.000 0.488 279 G N 0.268 109.115 108.800 0.077 0.000 2.523 279 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 279 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 279 G C -1.642 173.279 174.900 0.035 0.000 1.450 279 G CA -0.648 44.425 45.100 -0.045 0.000 0.790 279 G HN 1.096 nan 8.290 nan 0.000 0.496 280 S N -0.428 115.272 115.700 -0.001 0.000 2.652 280 S HA 0.639 5.109 4.470 -0.000 0.000 0.270 280 S C 1.765 176.360 174.600 -0.008 0.000 1.243 280 S CA 0.593 58.811 58.200 0.030 0.000 0.999 280 S CB 1.615 64.812 63.200 -0.006 0.000 0.973 280 S HN 1.973 nan 8.310 nan 0.000 0.544 281 A N 1.089 123.914 122.820 0.009 0.000 1.908 281 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 281 A C 1.773 179.312 177.584 -0.075 0.000 1.181 281 A CA 1.898 53.893 52.037 -0.070 0.000 0.627 281 A CB -1.184 17.786 19.000 -0.050 0.000 0.818 281 A HN 0.891 nan 8.150 nan 0.000 0.445 282 D N -0.065 120.303 120.400 -0.055 0.000 2.144 282 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 282 D C 1.286 177.537 176.300 -0.083 0.000 0.984 282 D CA 1.468 55.430 54.000 -0.064 0.000 0.834 282 D CB -0.353 40.416 40.800 -0.051 0.000 0.955 282 D HN 0.397 nan 8.370 nan 0.000 0.465 283 D N -0.238 120.111 120.400 -0.085 0.000 2.123 283 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 283 D C 2.296 178.514 176.300 -0.137 0.000 0.976 283 D CA 0.260 54.197 54.000 -0.105 0.000 0.831 283 D CB -0.113 40.626 40.800 -0.103 0.000 0.974 283 D HN 0.019 nan 8.370 nan 0.000 0.469 284 V N 0.971 120.798 119.914 -0.146 0.000 2.343 284 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 284 V C 2.440 178.408 176.094 -0.209 0.000 1.051 284 V CA 1.006 63.191 62.300 -0.192 0.000 1.036 284 V CB -0.415 31.286 31.823 -0.203 0.000 0.654 284 V HN 0.166 nan 8.190 nan 0.000 0.451 285 L N 0.145 121.269 121.223 -0.165 0.000 2.079 285 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 285 L C 2.549 179.326 176.870 -0.155 0.000 1.081 285 L CA 1.894 56.643 54.840 -0.151 0.000 0.752 285 L CB -0.624 41.370 42.059 -0.108 0.000 0.896 285 L HN 0.191 nan 8.230 nan 0.000 0.433 286 R N -0.968 119.443 120.500 -0.148 0.000 2.096 286 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 286 R C 2.246 178.423 176.300 -0.204 0.000 1.127 286 R CA 1.231 57.236 56.100 -0.157 0.000 0.968 286 R CB -0.529 29.685 30.300 -0.144 0.000 0.861 286 R HN 0.519 nan 8.270 nan 0.000 0.440 287 A N 0.923 123.612 122.820 -0.219 0.000 1.898 287 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 287 A C 2.110 179.543 177.584 -0.252 0.000 1.181 287 A CA 0.965 52.853 52.037 -0.247 0.000 0.620 287 A CB -0.404 18.461 19.000 -0.226 0.000 0.819 287 A HN 0.162 nan 8.150 nan 0.000 0.442 288 L N -0.616 120.440 121.223 -0.278 0.000 2.093 288 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 288 L C 2.584 179.358 176.870 -0.160 0.000 1.085 288 L CA 1.150 55.822 54.840 -0.281 0.000 0.755 288 L CB -0.615 41.252 42.059 -0.320 0.000 0.904 288 L HN 0.359 nan 8.230 nan 0.000 0.435 289 E N 0.432 120.544 120.200 -0.146 0.000 2.110 289 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 289 E C 2.288 178.827 176.600 -0.102 0.000 0.988 289 E CA 1.346 57.683 56.400 -0.106 0.000 0.804 289 E CB -0.090 29.549 29.700 -0.101 0.000 0.745 289 E HN 0.458 nan 8.360 nan 0.000 0.458 290 A N 1.024 123.749 122.820 -0.158 0.000 1.930 290 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 290 A C 2.288 179.831 177.584 -0.067 0.000 1.175 290 A CA 0.910 52.840 52.037 -0.179 0.000 0.627 290 A CB -0.527 18.215 19.000 -0.431 0.000 0.815 290 A HN 0.149 nan 8.150 nan 0.000 0.443 291 I N -1.120 119.411 120.570 -0.066 0.000 2.202 291 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 291 I C 2.704 178.839 176.117 0.031 0.000 1.091 291 I CA 1.583 62.889 61.300 0.011 0.000 1.368 291 I CB -0.270 37.724 38.000 -0.010 0.000 1.058 291 I HN 0.366 nan 8.210 nan 0.000 0.410 292 R N 1.114 121.617 120.500 0.005 0.000 2.073 292 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 292 R C 2.033 178.345 176.300 0.020 0.000 1.134 292 R CA 1.872 57.983 56.100 0.019 0.000 0.952 292 R CB -0.154 30.141 30.300 -0.008 0.000 0.850 292 R HN 0.361 nan 8.270 nan 0.000 0.433 293 A N 0.053 122.879 122.820 0.009 0.000 2.252 293 A HA 0.054 4.374 4.320 -0.000 0.000 0.213 293 A C 0.405 178.014 177.584 0.041 0.000 1.188 293 A CA 0.190 52.241 52.037 0.023 0.000 0.863 293 A CB 0.040 19.046 19.000 0.011 0.000 0.893 293 A HN 0.570 nan 8.150 nan 0.000 0.495 294 N N 0.202 118.934 118.700 0.054 0.000 2.696 294 N HA -0.122 4.618 4.740 -0.000 0.000 0.271 294 N C -2.454 173.111 175.510 0.092 0.000 0.997 294 N CA 0.715 53.823 53.050 0.098 0.000 0.801 294 N CB -0.746 37.803 38.487 0.103 0.000 0.913 294 N HN 0.220 nan 8.380 nan 0.000 0.557 295 P HA 0.243 nan 4.420 nan 0.000 0.232 295 P C 0.734 178.094 177.300 0.099 0.000 1.738 295 P CA 0.760 63.902 63.100 0.069 0.000 0.948 295 P CB -0.191 31.533 31.700 0.040 0.000 1.943 296 G N 0.103 108.967 108.800 0.106 0.000 2.160 296 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.251 296 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.251 296 G C 0.441 175.427 174.900 0.144 0.000 1.008 296 G CA -0.047 45.112 45.100 0.098 0.000 0.724 296 G HN 0.411 nan 8.290 nan 0.000 0.514 297 F N -0.049 119.908 119.950 0.012 0.000 2.387 297 F HA 0.538 5.065 4.527 -0.000 0.000 0.294 297 F C 1.109 176.918 175.800 0.014 0.000 1.093 297 F CA 0.631 58.636 58.000 0.010 0.000 1.420 297 F CB 0.218 39.221 39.000 0.005 0.000 1.086 297 F HN 0.149 nan 8.300 nan 0.000 0.531 298 L N 0.036 121.266 121.223 0.011 0.000 2.350 298 L HA 0.432 4.772 4.340 -0.000 0.000 0.260 298 L C -2.356 174.513 176.870 -0.001 0.000 1.015 298 L CA -2.377 52.425 54.840 -0.062 0.000 0.821 298 L CB 1.749 43.806 42.059 -0.004 0.000 1.370 298 L HN -0.291 nan 8.230 nan 0.000 0.416 299 P HA 0.039 nan 4.420 nan 0.000 0.267 299 P C -0.166 177.153 177.300 0.032 0.000 1.200 299 P CA 0.006 63.113 63.100 0.012 0.000 0.772 299 P CB 0.669 32.374 31.700 0.008 0.000 0.855 300 E N 0.528 120.749 120.200 0.034 0.000 2.077 300 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 300 E C 1.757 178.382 176.600 0.042 0.000 0.989 300 E CA 2.138 58.562 56.400 0.041 0.000 0.800 300 E CB -0.661 29.061 29.700 0.035 0.000 0.746 300 E HN 0.628 nan 8.360 nan 0.000 0.452 301 T N -0.457 114.120 114.554 0.038 0.000 2.857 301 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 301 T C 1.854 176.587 174.700 0.055 0.000 1.048 301 T CA 0.714 62.838 62.100 0.040 0.000 1.139 301 T CB -0.242 68.648 68.868 0.036 0.000 0.874 301 T HN 0.052 nan 8.240 nan 0.000 0.455 302 L N 1.873 123.134 121.223 0.064 0.000 2.056 302 L HA 0.327 4.667 4.340 -0.000 0.000 0.207 302 L C 2.825 179.761 176.870 0.109 0.000 1.078 302 L CA 1.640 56.539 54.840 0.098 0.000 0.749 302 L CB -1.274 40.834 42.059 0.082 0.000 0.901 302 L HN 0.332 nan 8.230 nan 0.000 0.433 303 A N -0.747 122.124 122.820 0.085 0.000 1.902 303 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 303 A C 1.973 179.598 177.584 0.068 0.000 1.181 303 A CA 1.942 54.033 52.037 0.090 0.000 0.623 303 A CB -0.799 18.253 19.000 0.087 0.000 0.818 303 A HN 0.521 nan 8.150 nan 0.000 0.443 304 D N 0.002 120.432 120.400 0.050 0.000 2.117 304 D HA -0.005 4.635 4.640 -0.000 0.000 0.198 304 D C 2.274 178.573 176.300 -0.001 0.000 0.982 304 D CA 1.482 55.499 54.000 0.029 0.000 0.828 304 D CB -0.521 40.295 40.800 0.026 0.000 0.967 304 D HN 0.402 nan 8.370 nan 0.000 0.464 305 A N 1.115 123.930 122.820 -0.008 0.000 1.908 305 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 305 A C 2.288 179.725 177.584 -0.245 0.000 1.181 305 A CA 2.391 54.371 52.037 -0.095 0.000 0.627 305 A CB -0.810 18.169 19.000 -0.035 0.000 0.818 305 A HN 0.242 nan 8.150 nan 0.000 0.445 306 A N -0.769 121.993 122.820 -0.096 0.000 2.067 306 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 306 A C 2.115 179.675 177.584 -0.040 0.000 1.158 306 A CA 1.344 53.352 52.037 -0.049 0.000 0.661 306 A CB -0.313 18.818 19.000 0.219 0.000 0.801 306 A HN 0.561 nan 8.150 nan 0.000 0.452 307 R N -1.451 119.036 120.500 -0.022 0.000 2.362 307 R HA 0.184 4.524 4.340 -0.000 0.000 0.227 307 R C 0.784 177.071 176.300 -0.021 0.000 0.905 307 R CA -0.204 55.900 56.100 0.007 0.000 1.067 307 R CB 0.266 30.593 30.300 0.045 0.000 1.078 307 R HN 0.346 nan 8.270 nan 0.000 0.516 308 R N 1.445 121.908 120.500 -0.062 0.000 2.486 308 R HA 0.043 4.383 4.340 -0.000 0.000 0.286 308 R C -0.727 175.538 176.300 -0.059 0.000 0.999 308 R CA -0.556 55.512 56.100 -0.052 0.000 0.993 308 R CB 0.873 31.140 30.300 -0.055 0.000 1.084 308 R HN -0.177 nan 8.270 nan 0.000 0.487 309 D N 2.032 122.416 120.400 -0.027 0.000 2.401 309 D HA -0.039 4.601 4.640 -0.000 0.000 0.254 309 D C -0.075 176.237 176.300 0.019 0.000 1.192 309 D CA 0.483 54.482 54.000 -0.001 0.000 0.885 309 D CB 1.099 41.902 40.800 0.004 0.000 1.147 309 D HN 0.398 nan 8.370 nan 0.000 0.478 310 Q N 2.651 122.485 119.800 0.058 0.000 2.247 310 Q HA 0.238 4.578 4.340 -0.000 0.000 0.211 310 Q C 0.504 176.624 176.000 0.199 0.000 0.861 310 Q CA 0.055 55.926 55.803 0.114 0.000 0.949 310 Q CB 1.301 30.086 28.738 0.080 0.000 1.115 310 Q HN 0.594 nan 8.270 nan 0.000 0.507 311 A N 0.035 122.960 122.820 0.176 0.000 2.026 311 A HA 0.567 4.887 4.320 -0.000 0.000 0.198 311 A C 0.834 178.475 177.584 0.095 0.000 1.390 311 A CA 0.733 52.880 52.037 0.184 0.000 0.915 311 A CB 0.593 19.698 19.000 0.175 0.000 0.974 311 A HN 0.284 nan 8.150 nan 0.000 0.477 312 G N -1.585 107.242 108.800 0.045 0.000 2.640 312 G HA2 0.090 4.050 3.960 -0.000 0.000 0.686 312 G HA3 0.090 4.050 3.960 -0.000 0.000 0.686 312 G C 0.289 175.178 174.900 -0.018 0.000 1.229 312 G CA -0.391 44.719 45.100 0.016 0.000 0.796 312 G HN 0.738 nan 8.290 nan 0.000 0.654 313 V N 1.620 121.521 119.914 -0.022 0.000 2.720 313 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 313 V C 3.067 179.142 176.094 -0.031 0.000 1.082 313 V CA 2.967 65.247 62.300 -0.032 0.000 1.101 313 V CB -0.909 30.888 31.823 -0.043 0.000 0.693 313 V HN 1.544 nan 8.190 nan 0.000 0.479 314 G N 0.102 108.889 108.800 -0.023 0.000 2.462 314 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 314 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 314 G C 1.715 176.601 174.900 -0.024 0.000 1.121 314 G CA 0.999 46.089 45.100 -0.017 0.000 0.758 314 G HN 0.618 nan 8.290 nan 0.000 0.559 315 A N 0.536 123.319 122.820 -0.062 0.000 1.933 315 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 315 A C 1.290 178.770 177.584 -0.174 0.000 1.175 315 A CA 1.446 53.399 52.037 -0.141 0.000 0.628 315 A CB -0.348 18.401 19.000 -0.418 0.000 0.814 315 A HN 0.517 nan 8.150 nan 0.000 0.444 316 E N -0.727 119.404 120.200 -0.116 0.000 2.199 316 E HA -0.217 4.133 4.350 -0.000 0.000 0.208 316 E C 0.882 177.408 176.600 -0.123 0.000 1.310 316 E CA 0.379 56.752 56.400 -0.045 0.000 0.709 316 E CB -2.001 27.695 29.700 -0.007 0.000 1.127 316 E HN 0.902 nan 8.360 nan 0.000 0.354 317 T N -2.196 112.192 114.554 -0.276 0.000 2.929 317 T HA -0.160 4.190 4.350 -0.000 0.000 0.271 317 T C 1.165 175.792 174.700 -0.121 0.000 1.085 317 T CA 1.081 62.955 62.100 -0.378 0.000 1.125 317 T CB -0.005 68.537 68.868 -0.543 0.000 0.874 317 T HN 0.404 nan 8.240 nan 0.000 0.494 318 R N 0.760 121.099 120.500 -0.269 0.000 2.661 318 R HA 0.562 4.902 4.340 -0.000 0.000 0.429 318 R C 0.748 176.903 176.300 -0.241 0.000 1.044 318 R CA -0.281 55.555 56.100 -0.440 0.000 1.065 318 R CB 0.709 30.473 30.300 -0.894 0.000 1.377 318 R HN 0.435 nan 8.270 nan 0.000 0.600 319 G N 1.826 110.583 108.800 -0.073 0.000 2.549 319 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.404 319 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.404 319 G C -2.898 172.090 174.900 0.147 0.000 1.292 319 G CA -1.323 43.797 45.100 0.034 0.000 0.935 319 G HN -0.006 nan 8.290 nan 0.000 0.512 320 P HA 0.371 nan 4.420 nan 0.000 0.266 320 P C 1.029 178.371 177.300 0.070 0.000 1.195 320 P CA 2.245 65.383 63.100 0.064 0.000 0.768 320 P CB 0.665 32.374 31.700 0.015 0.000 0.838 321 G N 0.222 109.006 108.800 -0.026 0.000 2.175 321 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 321 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 321 G C -0.822 173.909 174.900 -0.282 0.000 0.982 321 G CA -0.679 44.307 45.100 -0.190 0.000 0.641 321 G HN 0.394 nan 8.290 nan 0.000 0.527 322 W N 0.579 121.819 121.300 -0.099 0.000 2.600 322 W HA 0.676 5.336 4.660 -0.000 0.000 0.325 322 W C 0.760 177.196 176.519 -0.138 0.000 1.034 322 W CA -0.145 57.137 57.345 -0.105 0.000 1.226 322 W CB 1.573 30.977 29.460 -0.093 0.000 1.379 322 W HN 0.383 nan 8.180 nan 0.000 0.466 323 G N 1.109 109.970 108.800 0.100 0.000 2.630 323 G HA2 0.642 4.602 3.960 -0.000 0.000 0.223 323 G HA3 0.642 4.602 3.960 -0.000 0.000 0.223 323 G C -1.913 173.023 174.900 0.060 0.000 1.434 323 G CA -0.421 44.689 45.100 0.016 0.000 1.057 323 G HN 0.347 nan 8.290 nan 0.000 0.570 324 F N -1.284 118.608 119.950 -0.097 0.000 2.615 324 F HA 0.561 5.088 4.527 -0.000 0.000 0.312 324 F C 0.452 176.281 175.800 0.048 0.000 1.119 324 F CA -0.151 57.831 58.000 -0.031 0.000 0.979 324 F CB 1.709 40.689 39.000 -0.033 0.000 1.266 324 F HN 0.750 nan 8.300 nan 0.000 0.444 325 G N 2.344 111.067 108.800 -0.128 0.000 3.392 325 G HA2 0.116 4.076 3.960 -0.000 0.000 0.188 325 G HA3 0.116 4.076 3.960 -0.000 0.000 0.188 325 G C -0.483 174.528 174.900 0.185 0.000 1.485 325 G CA 0.075 45.154 45.100 -0.034 0.000 0.943 325 G HN 0.510 nan 8.290 nan 0.000 0.627 326 Y N -0.161 120.183 120.300 0.075 0.000 2.458 326 Y HA 0.461 5.011 4.550 -0.000 0.000 0.256 326 Y C 1.739 177.710 175.900 0.119 0.000 1.159 326 Y CA -0.117 58.052 58.100 0.114 0.000 1.261 326 Y CB 0.282 38.788 38.460 0.078 0.000 1.119 326 Y HN 0.086 nan 8.280 nan 0.000 0.524 327 L N -1.823 119.502 121.223 0.170 0.000 3.076 327 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 327 L C 0.290 177.186 176.870 0.044 0.000 1.152 327 L CA 0.304 55.236 54.840 0.153 0.000 0.996 327 L CB 0.592 42.754 42.059 0.173 0.000 1.453 327 L HN 0.012 nan 8.230 nan 0.000 0.571 328 S N -1.021 114.387 115.700 -0.486 0.000 2.683 328 S HA 0.625 5.095 4.470 -0.000 0.000 0.264 328 S C -0.832 172.943 174.600 -1.376 0.000 1.066 328 S CA -0.451 57.344 58.200 -0.674 0.000 0.846 328 S CB 0.848 64.049 63.200 0.001 0.000 1.114 328 S HN 0.056 nan 8.310 nan 0.000 0.476 329 A N 0.098 122.518 122.820 -0.666 0.000 2.386 329 A HA 0.687 5.007 4.320 -0.000 0.000 0.246 329 A C -0.234 177.350 177.584 0.000 0.000 1.089 329 A CA -0.363 51.523 52.037 -0.252 0.000 0.790 329 A CB 0.037 19.067 19.000 0.050 0.000 1.042 329 A HN 1.449 nan 8.150 nan 0.000 0.497 330 V N 2.179 122.202 119.914 0.182 0.000 2.525 330 V HA 0.247 4.367 4.120 -0.000 0.000 0.299 330 V C -0.099 176.079 176.094 0.141 0.000 1.034 330 V CA -0.467 61.928 62.300 0.157 0.000 0.863 330 V CB 1.581 33.416 31.823 0.020 0.000 0.999 330 V HN 0.805 nan 8.190 nan 0.000 0.423 331 L N 4.008 125.167 121.223 -0.107 0.000 2.433 331 L HA 0.214 4.554 4.340 -0.000 0.000 0.275 331 L C 0.600 177.244 176.870 -0.376 0.000 1.128 331 L CA 0.279 54.722 54.840 -0.662 0.000 0.875 331 L CB 0.789 42.355 42.059 -0.821 0.000 1.171 331 L HN 0.749 nan 8.230 nan 0.000 0.463 332 D N 1.585 121.763 120.400 -0.370 0.000 2.338 332 D HA 0.037 4.677 4.640 -0.000 0.000 0.224 332 D C 0.024 176.176 176.300 -0.246 0.000 0.967 332 D CA 0.742 54.606 54.000 -0.225 0.000 0.896 332 D CB 0.506 41.219 40.800 -0.145 0.000 1.028 332 D HN 0.411 nan 8.370 nan 0.000 0.493 333 D N -0.331 119.877 120.400 -0.321 0.000 2.375 333 D HA 0.191 4.831 4.640 -0.000 0.000 0.259 333 D C -2.052 174.056 176.300 -0.321 0.000 1.235 333 D CA -2.072 51.769 54.000 -0.264 0.000 0.924 333 D CB 1.999 42.686 40.800 -0.189 0.000 1.143 333 D HN -0.230 nan 8.370 nan 0.000 0.529 334 P HA -0.111 nan 4.420 nan 0.000 0.215 334 P C 1.165 178.327 177.300 -0.231 0.000 1.157 334 P CA 1.376 64.288 63.100 -0.314 0.000 0.868 334 P CB 0.318 31.852 31.700 -0.276 0.000 0.788 335 A N 0.147 122.856 122.820 -0.185 0.000 1.877 335 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 335 A C 2.370 179.880 177.584 -0.123 0.000 1.186 335 A CA 2.228 54.181 52.037 -0.139 0.000 0.620 335 A CB -1.659 17.272 19.000 -0.115 0.000 0.822 335 A HN 0.194 nan 8.150 nan 0.000 0.443 336 A N -0.438 122.305 122.820 -0.129 0.000 1.972 336 A HA 0.184 4.504 4.320 -0.000 0.000 0.219 336 A C 2.266 179.795 177.584 -0.090 0.000 1.169 336 A CA 1.918 53.895 52.037 -0.100 0.000 0.635 336 A CB -0.697 18.244 19.000 -0.098 0.000 0.810 336 A HN 1.106 nan 8.150 nan 0.000 0.446 337 A N -1.819 120.915 122.820 -0.144 0.000 2.218 337 A HA 0.426 4.746 4.320 -0.000 0.000 0.209 337 A C 1.668 179.232 177.584 -0.034 0.000 1.168 337 A CA 1.099 53.094 52.037 -0.070 0.000 0.804 337 A CB -0.838 18.030 19.000 -0.219 0.000 0.834 337 A HN 1.902 nan 8.150 nan 0.000 0.482 338 G N -0.976 107.776 108.800 -0.080 0.000 2.212 338 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.255 338 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.255 338 G C 0.188 175.035 174.900 -0.088 0.000 1.062 338 G CA 0.678 45.738 45.100 -0.068 0.000 0.815 338 G HN 1.263 nan 8.290 nan 0.000 0.497 339 T N -0.807 113.662 114.554 -0.142 0.000 2.909 339 T HA 0.722 5.072 4.350 -0.000 0.000 0.299 339 T C -1.327 173.210 174.700 -0.273 0.000 1.073 339 T CA -0.712 61.272 62.100 -0.193 0.000 0.999 339 T CB 2.158 70.912 68.868 -0.190 0.000 1.098 339 T HN -0.067 nan 8.240 nan 0.000 0.477 340 P HA 0.059 nan 4.420 nan 0.000 0.236 340 P C 0.108 177.021 177.300 -0.646 0.000 1.177 340 P CA 0.241 63.057 63.100 -0.474 0.000 0.773 340 P CB 0.201 31.561 31.700 -0.566 0.000 0.878 341 Q N 0.154 119.553 119.800 -0.668 0.000 2.386 341 Q HA 0.006 4.346 4.340 -0.000 0.000 0.282 341 Q C -0.028 175.910 176.000 -0.104 0.000 1.050 341 Q CA 0.242 55.797 55.803 -0.412 0.000 0.918 341 Q CB 0.049 28.569 28.738 -0.363 0.000 1.266 341 Q HN 0.310 nan 8.270 nan 0.000 0.423 342 H N 0.061 119.053 119.070 -0.130 0.000 2.551 342 H HA 0.331 4.887 4.556 0.000 0.000 0.358 342 H C -0.192 175.059 175.328 -0.128 0.000 1.151 342 H CA -0.265 55.727 56.048 -0.093 0.000 1.374 342 H CB 0.616 30.378 29.762 0.001 0.000 1.473 342 H HN 0.753 nan 8.280 nan 0.000 0.574 343 A N 0.906 123.697 122.820 -0.048 0.000 2.531 343 A HA 0.410 4.730 4.320 -0.000 0.000 0.236 343 A C 1.527 179.089 177.584 -0.038 0.000 1.062 343 A CA 0.702 52.675 52.037 -0.106 0.000 0.760 343 A CB -0.776 18.156 19.000 -0.113 0.000 0.995 343 A HN 1.120 nan 8.150 nan 0.000 0.501 344 G N 1.214 109.975 108.800 -0.066 0.000 2.194 344 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.236 344 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.236 344 G C 0.513 175.435 174.900 0.037 0.000 0.987 344 G CA 0.364 45.461 45.100 -0.005 0.000 0.635 344 G HN 1.206 nan 8.290 nan 0.000 0.520 345 T N 2.039 116.608 114.554 0.025 0.000 2.940 345 T HA 0.449 4.799 4.350 -0.000 0.000 0.309 345 T C 0.747 175.570 174.700 0.206 0.000 1.056 345 T CA 0.337 62.513 62.100 0.126 0.000 1.137 345 T CB 0.751 69.671 68.868 0.085 0.000 0.976 345 T HN 0.358 nan 8.240 nan 0.000 0.547 346 L N 3.454 124.839 121.223 0.270 0.000 2.307 346 L HA 0.622 4.962 4.340 -0.000 0.000 0.282 346 L C 0.124 177.071 176.870 0.128 0.000 1.051 346 L CA -0.561 54.432 54.840 0.255 0.000 0.804 346 L CB 1.309 43.578 42.059 0.350 0.000 1.197 346 L HN 0.639 nan 8.230 nan 0.000 0.431 347 Q N 3.037 122.743 119.800 -0.157 0.000 2.352 347 Q HA 0.403 4.743 4.340 -0.000 0.000 0.270 347 Q C -2.070 173.574 176.000 -0.594 0.000 1.006 347 Q CA -0.552 54.920 55.803 -0.553 0.000 0.880 347 Q CB 2.656 31.247 28.738 -0.246 0.000 1.392 347 Q HN 0.715 nan 8.270 nan 0.000 0.401 348 W N 2.020 122.487 121.300 -1.387 0.000 2.894 348 W HA 0.698 5.358 4.660 -0.000 0.000 0.424 348 W C -1.235 174.964 176.519 -0.534 0.000 1.072 348 W CA -0.083 56.848 57.345 -0.689 0.000 1.194 348 W CB 1.387 30.742 29.460 -0.175 0.000 1.471 348 W HN 0.839 nan 8.180 nan 0.000 0.608 349 G N -0.133 108.447 108.800 -0.368 0.000 2.753 349 G HA2 0.603 4.563 3.960 -0.000 0.000 0.303 349 G HA3 0.603 4.563 3.960 -0.000 0.000 0.303 349 G C -1.365 173.622 174.900 0.145 0.000 1.242 349 G CA 0.056 45.099 45.100 -0.095 0.000 0.810 349 G HN 0.886 nan 8.290 nan 0.000 0.515 350 G N -1.496 107.396 108.800 0.154 0.000 2.755 350 G HA2 0.597 4.557 3.960 -0.000 0.000 0.297 350 G HA3 0.597 4.557 3.960 -0.000 0.000 0.297 350 G C 0.514 175.499 174.900 0.143 0.000 1.441 350 G CA 0.509 45.758 45.100 0.248 0.000 0.964 350 G HN 1.592 nan 8.290 nan 0.000 0.540 351 V N -0.768 119.246 119.914 0.167 0.000 3.305 351 V HA 0.036 4.156 4.120 -0.000 0.000 0.269 351 V C 1.617 177.845 176.094 0.223 0.000 1.157 351 V CA 1.023 63.468 62.300 0.241 0.000 1.157 351 V CB -1.145 30.811 31.823 0.222 0.000 0.772 351 V HN 0.610 nan 8.190 nan 0.000 0.498 352 Y N 2.378 122.742 120.300 0.107 0.000 2.616 352 Y HA 0.429 4.979 4.550 0.000 0.000 0.296 352 Y C 1.910 177.634 175.900 -0.293 0.000 1.154 352 Y CA 0.557 58.629 58.100 -0.046 0.000 1.325 352 Y CB -0.140 38.332 38.460 0.020 0.000 1.007 352 Y HN 0.530 nan 8.280 nan 0.000 0.542 353 G N -0.039 108.638 108.800 -0.207 0.000 2.337 353 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.134 353 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.134 353 G C -0.668 174.156 174.900 -0.127 0.000 1.052 353 G CA -0.607 44.424 45.100 -0.115 0.000 0.737 353 G HN 0.528 nan 8.290 nan 0.000 0.485 354 H N -0.557 118.606 119.070 0.155 0.000 2.797 354 H HA 0.856 5.412 4.556 -0.000 0.000 0.372 354 H C -0.211 175.178 175.328 0.101 0.000 1.168 354 H CA -0.505 55.612 56.048 0.114 0.000 1.163 354 H CB 2.374 32.214 29.762 0.130 0.000 1.778 354 H HN 0.298 nan 8.280 nan 0.000 0.551 355 S N 1.918 117.769 115.700 0.251 0.000 2.536 355 S HA 0.482 4.952 4.470 -0.000 0.000 0.271 355 S C -1.979 172.772 174.600 0.253 0.000 1.134 355 S CA -0.789 57.500 58.200 0.148 0.000 0.897 355 S CB 0.956 64.205 63.200 0.081 0.000 1.094 355 S HN 0.709 nan 8.310 nan 0.000 0.473 356 W N 3.594 124.971 121.300 0.129 0.000 3.167 356 W HA 0.751 5.411 4.660 0.000 0.000 0.324 356 W C -2.410 174.250 176.519 0.235 0.000 1.230 356 W CA -1.421 55.982 57.345 0.096 0.000 1.184 356 W CB 0.469 29.962 29.460 0.054 0.000 1.414 356 W HN 0.701 nan 8.180 nan 0.000 0.551 357 F N -0.138 120.024 119.950 0.354 0.000 2.654 357 F HA 0.743 5.270 4.527 0.000 0.000 0.308 357 F C -2.043 173.992 175.800 0.392 0.000 1.108 357 F CA -1.671 56.482 58.000 0.254 0.000 0.957 357 F CB 1.166 40.240 39.000 0.123 0.000 1.309 357 F HN 0.108 nan 8.300 nan 0.000 0.446 358 V N 2.067 122.332 119.914 0.585 0.000 2.350 358 V HA 0.250 4.370 4.120 -0.000 0.000 0.285 358 V C -0.947 175.375 176.094 0.380 0.000 1.014 358 V CA -0.451 62.071 62.300 0.370 0.000 0.831 358 V CB 1.145 33.154 31.823 0.311 0.000 1.000 358 V HN 0.798 nan 8.190 nan 0.000 0.433 359 D N 4.637 125.258 120.400 0.368 0.000 2.422 359 D HA 0.200 4.840 4.640 -0.000 0.000 0.227 359 D C 1.341 177.709 176.300 0.113 0.000 1.190 359 D CA -0.165 54.001 54.000 0.276 0.000 0.905 359 D CB 0.712 41.711 40.800 0.331 0.000 1.034 359 D HN 0.426 nan 8.370 nan 0.000 0.507 360 R N 2.310 122.873 120.500 0.104 0.000 2.105 360 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 360 R C 1.999 178.311 176.300 0.020 0.000 1.135 360 R CA 1.481 57.612 56.100 0.051 0.000 0.967 360 R CB -0.076 30.265 30.300 0.068 0.000 0.861 360 R HN 0.409 nan 8.270 nan 0.000 0.442 361 A N 1.025 123.870 122.820 0.042 0.000 1.972 361 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 361 A C 1.961 179.538 177.584 -0.012 0.000 1.169 361 A CA 1.134 53.198 52.037 0.044 0.000 0.635 361 A CB -0.289 18.782 19.000 0.118 0.000 0.810 361 A HN 0.201 nan 8.150 nan 0.000 0.446 362 L N -1.360 119.811 121.223 -0.087 0.000 2.592 362 L HA 0.219 4.559 4.340 -0.000 0.000 0.227 362 L C 1.581 178.356 176.870 -0.158 0.000 1.127 362 L CA 0.415 55.200 54.840 -0.092 0.000 0.884 362 L CB -0.217 41.758 42.059 -0.140 0.000 1.065 362 L HN 0.555 nan 8.230 nan 0.000 0.457 363 G N 1.077 109.701 108.800 -0.292 0.000 2.179 363 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 363 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 363 G C 0.155 174.855 174.900 -0.332 0.000 1.010 363 G CA -0.012 44.702 45.100 -0.644 0.000 0.736 363 G HN 0.258 nan 8.290 nan 0.000 0.513 364 L N 1.388 122.519 121.223 -0.152 0.000 2.264 364 L HA 0.514 4.854 4.340 -0.000 0.000 0.289 364 L C 0.059 176.887 176.870 -0.070 0.000 1.044 364 L CA -0.259 54.524 54.840 -0.095 0.000 0.807 364 L CB 1.534 43.570 42.059 -0.040 0.000 1.192 364 L HN 0.138 nan 8.230 nan 0.000 0.425 365 S N 3.025 118.658 115.700 -0.111 0.000 2.456 365 S HA 0.557 5.027 4.470 -0.000 0.000 0.316 365 S C -0.448 174.021 174.600 -0.218 0.000 1.089 365 S CA -0.505 57.625 58.200 -0.117 0.000 1.101 365 S CB 1.846 64.998 63.200 -0.080 0.000 0.995 365 S HN 0.287 nan 8.310 nan 0.000 0.468 366 V N 4.637 124.317 119.914 -0.390 0.000 2.444 366 V HA 0.581 4.701 4.120 -0.000 0.000 0.294 366 V C -0.852 175.111 176.094 -0.219 0.000 1.022 366 V CA -0.696 61.334 62.300 -0.449 0.000 0.850 366 V CB 1.484 32.695 31.823 -1.021 0.000 0.992 366 V HN 0.703 nan 8.190 nan 0.000 0.426 367 L N 6.175 127.356 121.223 -0.071 0.000 2.410 367 L HA 0.813 5.153 4.340 -0.000 0.000 0.270 367 L C -1.357 175.540 176.870 0.046 0.000 0.983 367 L CA -0.520 54.334 54.840 0.024 0.000 0.822 367 L CB 1.816 43.861 42.059 -0.023 0.000 1.285 367 L HN 0.629 nan 8.230 nan 0.000 0.409 368 L N 5.913 127.185 121.223 0.082 0.000 2.372 368 L HA 0.645 4.985 4.340 -0.000 0.000 0.273 368 L C -1.840 175.043 176.870 0.022 0.000 0.989 368 L CA -0.152 54.746 54.840 0.097 0.000 0.841 368 L CB 1.403 43.559 42.059 0.163 0.000 1.225 368 L HN 0.586 nan 8.230 nan 0.000 0.414 369 L N 4.812 125.927 121.223 -0.181 0.000 2.322 369 L HA 0.812 5.152 4.340 -0.000 0.000 0.281 369 L C 0.176 176.884 176.870 -0.271 0.000 1.014 369 L CA -0.402 54.136 54.840 -0.502 0.000 0.815 369 L CB 1.964 43.131 42.059 -1.487 0.000 1.247 369 L HN 0.766 nan 8.230 nan 0.000 0.421 370 T N -1.662 113.036 114.554 0.239 0.000 2.838 370 T HA 0.356 4.706 4.350 -0.000 0.000 0.292 370 T C -0.128 174.884 174.700 0.519 0.000 1.113 370 T CA -0.818 61.498 62.100 0.359 0.000 1.008 370 T CB 1.764 70.785 68.868 0.254 0.000 1.259 370 T HN 0.582 nan 8.240 nan 0.000 0.520 371 N N -0.688 118.265 118.700 0.422 0.000 2.328 371 N HA 0.227 4.967 4.740 -0.000 0.000 0.247 371 N C -0.710 174.963 175.510 0.271 0.000 1.165 371 N CA -0.522 52.746 53.050 0.364 0.000 0.873 371 N CB 0.427 39.136 38.487 0.370 0.000 1.125 371 N HN 0.588 nan 8.380 nan 0.000 0.513 372 T N 0.268 114.928 114.554 0.177 0.000 2.934 372 T HA 0.611 4.961 4.350 -0.000 0.000 0.328 372 T C -0.554 174.157 174.700 0.018 0.000 1.068 372 T CA -0.650 61.508 62.100 0.096 0.000 1.018 372 T CB 1.061 69.972 68.868 0.072 0.000 1.009 372 T HN 0.352 nan 8.240 nan 0.000 0.471 373 A N 2.639 125.399 122.820 -0.100 0.000 2.309 373 A HA 0.581 4.901 4.320 -0.000 0.000 0.290 373 A C -0.305 177.039 177.584 -0.400 0.000 1.206 373 A CA -0.347 51.502 52.037 -0.314 0.000 0.850 373 A CB 0.064 18.685 19.000 -0.632 0.000 1.118 373 A HN 0.901 nan 8.150 nan 0.000 0.523 374 Y N 1.108 121.424 120.300 0.027 0.000 2.607 374 Y HA 0.153 4.703 4.550 -0.000 0.000 0.266 374 Y C 1.746 177.637 175.900 -0.015 0.000 1.178 374 Y CA 0.059 58.157 58.100 -0.002 0.000 1.226 374 Y CB 0.197 38.638 38.460 -0.032 0.000 1.144 374 Y HN 0.849 nan 8.280 nan 0.000 0.528 375 E N 0.999 121.259 120.200 0.100 0.000 2.118 375 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 375 E C 2.383 179.024 176.600 0.068 0.000 0.992 375 E CA 1.689 58.132 56.400 0.070 0.000 0.804 375 E CB -0.407 29.326 29.700 0.055 0.000 0.741 375 E HN 0.451 nan 8.360 nan 0.000 0.458 376 G N -0.390 108.460 108.800 0.084 0.000 2.813 376 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.209 376 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.209 376 G C 1.388 176.338 174.900 0.084 0.000 1.150 376 G CA 0.511 45.670 45.100 0.099 0.000 0.785 376 G HN 0.312 nan 8.290 nan 0.000 0.535 377 M N 0.538 120.179 119.600 0.067 0.000 2.556 377 M HA 0.077 4.557 4.480 -0.000 0.000 0.259 377 M C 1.992 178.270 176.300 -0.036 0.000 1.175 377 M CA 1.808 57.124 55.300 0.028 0.000 1.202 377 M CB 0.597 33.232 32.600 0.058 0.000 1.298 377 M HN 0.203 nan 8.290 nan 0.000 0.492 378 S N -1.245 114.433 115.700 -0.037 0.000 2.817 378 S HA 0.351 4.821 4.470 -0.000 0.000 0.262 378 S C 0.768 175.322 174.600 -0.078 0.000 1.051 378 S CA -0.162 57.977 58.200 -0.102 0.000 1.185 378 S CB 0.010 63.071 63.200 -0.232 0.000 1.152 378 S HN 0.437 nan 8.310 nan 0.000 0.653 379 G N 2.533 111.316 108.800 -0.029 0.000 2.651 379 G HA2 0.451 4.411 3.960 -0.000 0.000 0.260 379 G HA3 0.451 4.411 3.960 -0.000 0.000 0.260 379 G C -1.694 173.194 174.900 -0.021 0.000 1.216 379 G CA -1.363 43.724 45.100 -0.021 0.000 0.913 379 G HN 0.063 nan 8.290 nan 0.000 0.535 380 P HA -0.165 nan 4.420 nan 0.000 0.217 380 P C 2.165 179.447 177.300 -0.030 0.000 1.148 380 P CA 0.538 63.625 63.100 -0.023 0.000 0.834 380 P CB 0.106 31.796 31.700 -0.018 0.000 0.783 381 L N -0.458 120.748 121.223 -0.027 0.000 2.021 381 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 381 L C 2.307 179.142 176.870 -0.059 0.000 1.074 381 L CA 2.899 57.707 54.840 -0.053 0.000 0.760 381 L CB -1.198 40.851 42.059 -0.016 0.000 0.889 381 L HN 0.202 nan 8.230 nan 0.000 0.433 382 T N -2.597 111.946 114.554 -0.019 0.000 2.777 382 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 382 T C 1.893 176.598 174.700 0.008 0.000 1.040 382 T CA 0.962 63.066 62.100 0.006 0.000 1.141 382 T CB -0.354 68.520 68.868 0.011 0.000 0.868 382 T HN 0.172 nan 8.240 nan 0.000 0.444 383 I N 2.475 123.039 120.570 -0.010 0.000 2.252 383 I HA 0.020 4.190 4.170 -0.000 0.000 0.245 383 I C 3.178 179.289 176.117 -0.010 0.000 1.102 383 I CA 1.194 62.489 61.300 -0.008 0.000 1.385 383 I CB -1.793 36.197 38.000 -0.018 0.000 1.064 383 I HN 0.375 nan 8.210 nan 0.000 0.414 384 A N 1.237 124.036 122.820 -0.035 0.000 1.902 384 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 384 A C 2.404 179.947 177.584 -0.068 0.000 1.181 384 A CA 1.395 53.400 52.037 -0.054 0.000 0.623 384 A CB -0.852 18.099 19.000 -0.081 0.000 0.818 384 A HN 0.396 nan 8.150 nan 0.000 0.443 385 L N -0.982 120.183 121.223 -0.096 0.000 2.093 385 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 385 L C 2.780 179.665 176.870 0.024 0.000 1.085 385 L CA 1.579 56.352 54.840 -0.112 0.000 0.755 385 L CB -0.475 41.483 42.059 -0.167 0.000 0.904 385 L HN 0.499 nan 8.230 nan 0.000 0.435 386 R N 0.413 120.978 120.500 0.109 0.000 2.073 386 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 386 R C 1.732 178.187 176.300 0.258 0.000 1.134 386 R CA 2.031 58.281 56.100 0.251 0.000 0.952 386 R CB -0.249 30.157 30.300 0.176 0.000 0.850 386 R HN 0.282 nan 8.270 nan 0.000 0.433 387 D N 0.657 121.132 120.400 0.125 0.000 2.117 387 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 387 D C 1.809 178.171 176.300 0.104 0.000 0.987 387 D CA 1.619 55.684 54.000 0.108 0.000 0.829 387 D CB -0.334 40.488 40.800 0.036 0.000 0.961 387 D HN 0.418 nan 8.370 nan 0.000 0.460 388 A N 0.541 123.385 122.820 0.041 0.000 1.940 388 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 388 A C 2.490 180.075 177.584 0.002 0.000 1.176 388 A CA 1.285 53.321 52.037 -0.001 0.000 0.631 388 A CB -0.742 18.219 19.000 -0.065 0.000 0.814 388 A HN 0.166 nan 8.150 nan 0.000 0.446 389 V N -1.977 117.945 119.914 0.014 0.000 2.490 389 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 389 V C 1.887 177.894 176.094 -0.144 0.000 1.061 389 V CA 1.663 63.908 62.300 -0.091 0.000 1.064 389 V CB -0.879 30.874 31.823 -0.117 0.000 0.670 389 V HN 0.704 nan 8.190 nan 0.000 0.461 390 Y N -0.450 119.876 120.300 0.043 0.000 2.485 390 Y HA 0.604 5.154 4.550 0.000 0.000 0.260 390 Y C 1.266 177.182 175.900 0.026 0.000 1.173 390 Y CA -0.018 58.107 58.100 0.041 0.000 1.252 390 Y CB -0.191 38.295 38.460 0.045 0.000 1.123 390 Y HN 0.190 nan 8.280 nan 0.000 0.524 391 A N 0.000 122.894 122.820 0.123 0.000 2.254 391 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 391 A CA 0.000 52.085 52.037 0.080 0.000 0.836 391 A CB 0.000 19.029 19.000 0.049 0.000 0.831 391 A HN 0.000 nan 8.150 nan 0.000 0.486