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 1ktb_1_A DATA FIRST_RESID 1 DATA SEQUENCE LENGLARTPP MGWLAWERFR cNVNcREDPR QcISEMLFME MADRIAEDGW DATA SEQUENCE RELGYKYINI DDcWAAKQRD AEGRLVPDPE RFPRGIKALA DYVHARGLKL DATA SEQUENCE GIYGDLGRLT cGGYPGTTLD RVEQDAQTFA EWGVDMLKLD GcYSSGKEQA DATA SEQUENCE QGYPQMARAL NATGRPIVYS cSWPAYQGGL PPKVNYTLLG EIcNLWRNYD DATA SEQUENCE DIQDSWDSVL SIVDWFFTNQ DVLQPFAGPG HWNDPDMLII GNFGLSYEQS DATA SEQUENCE RSQMALWTIM AAPLLMSTDL RTISPSAKKI LQNRLMIQIN QDPLGIQGRR DATA SEQUENCE IIKEGSHIEV FLRPLSQAAS ALVFFSRRTD MPFRYTTSLA KLGFPMGAAY DATA SEQUENCE EVQDVYSGKI ISGLKTGDNF TVIINPSGVV MWYLCPKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.964 176.870 0.156 0.000 1.165 1 L CA 0.000 54.956 54.840 0.194 0.000 0.813 1 L CB 0.000 42.208 42.059 0.249 0.000 0.961 2 E N 3.805 124.077 120.200 0.121 0.000 1.972 2 E HA 0.232 4.582 4.350 -0.000 0.000 0.292 2 E C 0.087 176.743 176.600 0.093 0.000 1.193 2 E CA 0.020 56.479 56.400 0.099 0.000 1.228 2 E CB -0.128 29.618 29.700 0.076 0.000 1.167 2 E HN 0.588 nan 8.360 nan 0.000 0.479 3 N N -0.249 118.515 118.700 0.107 0.000 2.235 3 N HA 0.075 4.815 4.740 -0.000 0.000 0.231 3 N C 1.091 176.658 175.510 0.096 0.000 1.177 3 N CA 0.079 53.188 53.050 0.098 0.000 0.874 3 N CB 0.723 39.277 38.487 0.111 0.000 1.097 3 N HN 0.282 nan 8.380 nan 0.000 0.518 4 G N 0.242 109.099 108.800 0.094 0.000 2.189 4 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 4 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 4 G C -0.300 174.667 174.900 0.111 0.000 0.975 4 G CA 0.785 45.939 45.100 0.091 0.000 0.644 4 G HN 0.374 nan 8.290 nan 0.000 0.537 5 L N -1.103 120.199 121.223 0.132 0.000 2.332 5 L HA 0.687 5.027 4.340 -0.000 0.000 0.269 5 L C 1.536 178.520 176.870 0.191 0.000 1.016 5 L CA -0.562 54.376 54.840 0.163 0.000 0.809 5 L CB 1.590 43.754 42.059 0.174 0.000 1.280 5 L HN 1.145 nan 8.230 nan 0.000 0.447 6 A N 0.862 123.819 122.820 0.228 0.000 2.687 6 A HA -0.182 4.138 4.320 -0.000 0.000 0.299 6 A C 1.406 179.232 177.584 0.404 0.000 1.497 6 A CA 0.492 52.717 52.037 0.313 0.000 0.751 6 A CB -1.190 18.017 19.000 0.344 0.000 1.048 6 A HN 0.739 nan 8.150 nan 0.000 0.464 7 R N -0.084 120.582 120.500 0.277 0.000 2.235 7 R HA 0.005 4.345 4.340 -0.000 0.000 0.213 7 R C 1.088 177.639 176.300 0.418 0.000 1.059 7 R CA 1.492 57.747 56.100 0.258 0.000 0.997 7 R CB -0.841 29.552 30.300 0.155 0.000 0.884 7 R HN 1.166 nan 8.270 nan 0.000 0.462 8 T N -2.658 112.101 114.554 0.343 0.000 2.906 8 T HA 0.527 4.877 4.350 -0.000 0.000 0.295 8 T C -3.013 171.530 174.700 -0.263 0.000 1.075 8 T CA -2.634 59.527 62.100 0.101 0.000 1.005 8 T CB 2.928 71.776 68.868 -0.033 0.000 1.136 8 T HN -0.291 nan 8.240 nan 0.000 0.498 9 P HA 0.240 nan 4.420 nan 0.000 0.264 9 P C -2.488 174.561 177.300 -0.419 0.000 1.193 9 P CA -0.681 61.752 63.100 -1.111 0.000 0.763 9 P CB -0.537 30.537 31.700 -1.043 0.000 0.810 10 P HA 0.103 nan 4.420 nan 0.000 0.265 10 P C -0.420 176.879 177.300 -0.001 0.000 1.193 10 P CA 0.890 63.958 63.100 -0.053 0.000 0.765 10 P CB 0.331 31.938 31.700 -0.155 0.000 0.823 11 M N 2.416 122.100 119.600 0.140 0.000 2.393 11 M HA 0.687 5.167 4.480 -0.000 0.000 0.316 11 M C 0.502 177.019 176.300 0.362 0.000 1.087 11 M CA 0.046 55.415 55.300 0.116 0.000 0.937 11 M CB 2.596 35.080 32.600 -0.193 0.000 1.668 11 M HN 0.570 nan 8.290 nan 0.000 0.438 12 G N 1.565 110.657 108.800 0.486 0.000 2.441 12 G HA2 0.291 4.251 3.960 -0.000 0.000 0.225 12 G HA3 0.291 4.251 3.960 -0.000 0.000 0.225 12 G C -2.923 172.195 174.900 0.363 0.000 1.200 12 G CA -0.718 44.666 45.100 0.473 0.000 0.947 12 G HN 0.729 nan 8.290 nan 0.000 0.484 13 W N 0.255 121.621 121.300 0.110 0.000 2.915 13 W HA 0.826 5.485 4.660 -0.000 0.000 0.337 13 W C -1.552 175.036 176.519 0.116 0.000 1.102 13 W CA -0.964 56.396 57.345 0.026 0.000 1.224 13 W CB 1.764 31.186 29.460 -0.064 0.000 1.416 13 W HN 0.523 nan 8.180 nan 0.000 0.503 14 L N 5.636 126.439 121.223 -0.699 0.000 2.410 14 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 14 L C 0.736 176.947 176.870 -1.098 0.000 0.983 14 L CA -0.233 54.266 54.840 -0.568 0.000 0.822 14 L CB 2.271 44.214 42.059 -0.193 0.000 1.285 14 L HN 0.783 nan 8.230 nan 0.000 0.409 15 A N 5.429 127.787 122.820 -0.770 0.000 1.969 15 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 15 A C 1.721 179.298 177.584 -0.012 0.000 1.169 15 A CA 0.985 52.771 52.037 -0.419 0.000 0.635 15 A CB -0.551 18.545 19.000 0.161 0.000 0.810 15 A HN 1.005 nan 8.150 nan 0.000 0.445 16 W N 0.987 122.216 121.300 -0.117 0.000 2.292 16 W HA -0.235 4.426 4.660 0.000 0.000 0.330 16 W C 2.115 178.594 176.519 -0.067 0.000 1.264 16 W CA 2.375 59.685 57.345 -0.058 0.000 1.235 16 W CB -0.316 29.109 29.460 -0.059 0.000 1.164 16 W HN 0.463 nan 8.180 nan 0.000 0.461 17 E N 0.695 120.782 120.200 -0.188 0.000 2.070 17 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 17 E C 2.121 178.481 176.600 -0.401 0.000 1.004 17 E CA 2.115 58.341 56.400 -0.291 0.000 0.805 17 E CB -0.412 29.223 29.700 -0.108 0.000 0.744 17 E HN 0.139 nan 8.360 nan 0.000 0.451 18 R N -0.782 119.464 120.500 -0.422 0.000 2.075 18 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 18 R C 2.117 177.957 176.300 -0.767 0.000 1.114 18 R CA 1.406 57.135 56.100 -0.618 0.000 0.972 18 R CB -0.563 29.226 30.300 -0.851 0.000 0.869 18 R HN 0.159 nan 8.270 nan 0.000 0.437 19 F N 0.493 120.313 119.950 -0.217 0.000 2.717 19 F HA 0.351 4.878 4.527 -0.000 0.000 0.295 19 F C 1.029 176.642 175.800 -0.311 0.000 1.117 19 F CA -0.230 57.661 58.000 -0.180 0.000 1.361 19 F CB 0.169 39.123 39.000 -0.076 0.000 1.112 19 F HN -0.156 nan 8.300 nan 0.000 0.594 20 R N -0.335 119.839 120.500 -0.542 0.000 3.726 20 R HA -0.348 3.992 4.340 -0.000 0.000 0.510 20 R C 0.705 176.753 176.300 -0.420 0.000 0.241 20 R CA 1.430 56.849 56.100 -1.134 0.000 1.592 20 R CB -1.932 27.852 30.300 -0.860 0.000 0.955 20 R HN 0.308 nan 8.270 nan 0.000 0.585 21 c N 3.115 121.614 118.600 -0.169 0.000 2.352 21 c HA 0.214 4.784 4.570 -0.000 0.000 0.321 21 c C 0.282 174.442 174.090 0.117 0.000 1.407 21 c CA -0.599 55.826 56.329 0.160 0.000 1.783 21 c CB -2.072 40.633 42.510 0.325 0.000 2.698 21 c HN 0.337 nan 8.230 nan 0.000 0.555 22 N N 0.788 119.531 118.700 0.071 0.000 2.405 22 N HA 0.082 4.822 4.740 -0.000 0.000 0.260 22 N C 0.731 176.294 175.510 0.089 0.000 1.152 22 N CA 0.242 53.336 53.050 0.073 0.000 0.948 22 N CB 1.198 39.726 38.487 0.068 0.000 1.111 22 N HN 0.490 nan 8.380 nan 0.000 0.485 23 V N 1.015 120.987 119.914 0.097 0.000 3.319 23 V HA 0.320 4.439 4.120 -0.000 0.000 0.317 23 V C 0.649 176.779 176.094 0.061 0.000 1.411 23 V CA -0.574 61.785 62.300 0.099 0.000 1.112 23 V CB -0.403 31.513 31.823 0.156 0.000 1.031 23 V HN 0.450 nan 8.190 nan 0.000 0.448 24 N N 0.773 119.499 118.700 0.045 0.000 3.245 24 N HA 0.148 4.888 4.740 -0.000 0.000 0.296 24 N C 0.897 176.412 175.510 0.009 0.000 1.254 24 N CA 0.166 53.233 53.050 0.027 0.000 1.190 24 N CB -0.338 38.164 38.487 0.025 0.000 1.460 24 N HN 0.539 nan 8.380 nan 0.000 0.538 25 c N 0.122 118.721 118.600 -0.002 0.000 2.437 25 c HA 0.012 4.581 4.570 -0.000 0.000 0.283 25 c C 2.496 176.572 174.090 -0.023 0.000 1.424 25 c CA 0.142 56.455 56.329 -0.027 0.000 1.782 25 c CB -0.973 41.508 42.510 -0.049 0.000 1.833 25 c HN 0.672 nan 8.230 nan 0.000 0.532 26 R N 1.313 121.807 120.500 -0.010 0.000 2.075 26 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 26 R C 1.805 178.100 176.300 -0.009 0.000 1.126 26 R CA 1.527 57.621 56.100 -0.010 0.000 0.963 26 R CB -0.088 30.211 30.300 -0.003 0.000 0.858 26 R HN 0.582 nan 8.270 nan 0.000 0.435 27 E N -0.986 119.211 120.200 -0.004 0.000 2.389 27 E HA 0.014 4.364 4.350 -0.000 0.000 0.199 27 E C -0.399 176.200 176.600 -0.002 0.000 0.978 27 E CA 0.112 56.511 56.400 -0.003 0.000 0.912 27 E CB 0.716 30.417 29.700 0.001 0.000 0.907 27 E HN 0.217 nan 8.360 nan 0.000 0.494 28 D N 0.857 121.256 120.400 -0.002 0.000 2.749 28 D HA 0.078 4.718 4.640 -0.000 0.000 0.338 28 D C -1.797 174.491 176.300 -0.021 0.000 1.236 28 D CA -1.526 52.475 54.000 0.001 0.000 0.845 28 D CB 0.999 41.812 40.800 0.021 0.000 1.080 28 D HN 0.008 nan 8.370 nan 0.000 0.497 29 P HA -0.170 nan 4.420 nan 0.000 0.216 29 P C 1.220 178.465 177.300 -0.090 0.000 1.150 29 P CA 0.975 64.039 63.100 -0.061 0.000 0.843 29 P CB 0.683 32.351 31.700 -0.052 0.000 0.787 30 R N -0.598 119.859 120.500 -0.072 0.000 2.140 30 R HA 0.087 4.427 4.340 -0.000 0.000 0.213 30 R C 2.489 178.712 176.300 -0.128 0.000 1.059 30 R CA 0.812 56.850 56.100 -0.102 0.000 1.000 30 R CB -0.195 30.072 30.300 -0.054 0.000 0.910 30 R HN 0.317 nan 8.270 nan 0.000 0.455 31 Q N 0.075 119.861 119.800 -0.023 0.000 2.384 31 Q HA 0.067 4.407 4.340 -0.000 0.000 0.207 31 Q C 0.762 176.778 176.000 0.027 0.000 0.904 31 Q CA 0.024 55.883 55.803 0.092 0.000 0.933 31 Q CB 0.609 29.497 28.738 0.250 0.000 1.077 31 Q HN 0.346 nan 8.270 nan 0.000 0.522 32 c N -0.192 118.377 118.600 -0.051 0.000 2.656 32 c HA 0.342 4.912 4.570 -0.000 0.000 0.391 32 c C 0.744 174.767 174.090 -0.111 0.000 1.300 32 c CA -1.203 55.101 56.329 -0.041 0.000 2.302 32 c CB 0.070 42.555 42.510 -0.041 0.000 2.655 32 c HN 0.194 nan 8.230 nan 0.000 0.656 33 I N 4.496 125.056 120.570 -0.016 0.000 2.406 33 I HA 0.297 4.467 4.170 -0.000 0.000 0.293 33 I C 0.845 176.924 176.117 -0.063 0.000 1.101 33 I CA 1.215 62.543 61.300 0.047 0.000 1.334 33 I CB -0.799 37.349 38.000 0.247 0.000 1.421 33 I HN 1.067 nan 8.210 nan 0.000 0.513 34 S N 4.271 119.823 115.700 -0.246 0.000 2.625 34 S HA 0.361 4.831 4.470 -0.000 0.000 0.271 34 S C 0.727 175.034 174.600 -0.488 0.000 1.161 34 S CA -0.720 57.081 58.200 -0.665 0.000 0.820 34 S CB 1.824 64.769 63.200 -0.426 0.000 1.137 34 S HN 0.621 nan 8.310 nan 0.000 0.470 35 E N 0.316 120.125 120.200 -0.651 0.000 2.153 35 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 35 E C 1.332 177.910 176.600 -0.037 0.000 0.988 35 E CA 1.036 57.432 56.400 -0.005 0.000 0.811 35 E CB -0.397 29.318 29.700 0.025 0.000 0.746 35 E HN 0.513 nan 8.360 nan 0.000 0.466 36 M N 0.639 120.127 119.600 -0.186 0.000 2.159 36 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 36 M C 2.352 178.498 176.300 -0.257 0.000 1.063 36 M CA 0.862 56.038 55.300 -0.206 0.000 1.110 36 M CB -0.910 31.568 32.600 -0.203 0.000 1.374 36 M HN 0.263 nan 8.290 nan 0.000 0.411 37 L N 0.169 121.173 121.223 -0.365 0.000 2.017 37 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 37 L C 2.056 178.538 176.870 -0.647 0.000 1.073 37 L CA 1.967 56.448 54.840 -0.599 0.000 0.745 37 L CB -0.901 40.647 42.059 -0.853 0.000 0.894 37 L HN 0.094 nan 8.230 nan 0.000 0.432 38 F N -0.943 118.898 119.950 -0.182 0.000 2.186 38 F HA -0.138 4.389 4.527 0.000 0.000 0.299 38 F C 2.356 178.069 175.800 -0.145 0.000 1.090 38 F CA 1.387 59.298 58.000 -0.148 0.000 1.307 38 F CB -0.748 38.269 39.000 0.027 0.000 1.019 38 F HN 0.050 nan 8.300 nan 0.000 0.489 39 M N -0.363 119.245 119.600 0.013 0.000 2.132 39 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 39 M C 2.027 178.344 176.300 0.028 0.000 1.065 39 M CA 1.654 56.964 55.300 0.016 0.000 1.122 39 M CB -0.513 31.885 32.600 -0.337 0.000 1.365 39 M HN 0.125 nan 8.290 nan 0.000 0.411 40 E N -0.077 120.044 120.200 -0.131 0.000 2.106 40 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 40 E C 2.063 178.524 176.600 -0.231 0.000 0.984 40 E CA 0.937 57.245 56.400 -0.153 0.000 0.806 40 E CB 0.040 29.619 29.700 -0.201 0.000 0.750 40 E HN 0.409 nan 8.360 nan 0.000 0.458 41 M N 0.122 119.476 119.600 -0.409 0.000 2.229 41 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 41 M C 2.368 178.460 176.300 -0.347 0.000 1.063 41 M CA 0.911 55.846 55.300 -0.609 0.000 1.114 41 M CB -0.847 30.981 32.600 -1.287 0.000 1.387 41 M HN 0.086 nan 8.290 nan 0.000 0.420 42 A N 0.522 123.241 122.820 -0.167 0.000 1.902 42 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 42 A C 1.869 179.435 177.584 -0.030 0.000 1.181 42 A CA 1.822 53.833 52.037 -0.043 0.000 0.623 42 A CB -0.645 18.399 19.000 0.073 0.000 0.818 42 A HN 0.383 nan 8.150 nan 0.000 0.443 43 D N -0.588 119.811 120.400 -0.002 0.000 2.117 43 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 43 D C 2.126 178.427 176.300 0.002 0.000 0.987 43 D CA 1.158 55.161 54.000 0.005 0.000 0.829 43 D CB -0.285 40.534 40.800 0.031 0.000 0.961 43 D HN 0.153 nan 8.370 nan 0.000 0.460 44 R N 0.552 121.032 120.500 -0.033 0.000 2.083 44 R HA -0.046 4.294 4.340 -0.000 0.000 0.237 44 R C 2.277 178.669 176.300 0.154 0.000 1.137 44 R CA 0.515 56.626 56.100 0.019 0.000 0.951 44 R CB -0.788 29.453 30.300 -0.099 0.000 0.851 44 R HN 0.202 nan 8.270 nan 0.000 0.434 45 I N 0.038 120.635 120.570 0.045 0.000 2.226 45 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 45 I C 2.045 178.292 176.117 0.217 0.000 1.100 45 I CA 1.639 63.039 61.300 0.166 0.000 1.374 45 I CB -1.255 36.764 38.000 0.031 0.000 1.057 45 I HN 0.147 nan 8.210 nan 0.000 0.413 46 A N 0.007 122.887 122.820 0.099 0.000 1.968 46 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 46 A C 2.169 179.787 177.584 0.057 0.000 1.169 46 A CA 1.184 53.258 52.037 0.061 0.000 0.638 46 A CB -0.307 18.693 19.000 0.001 0.000 0.812 46 A HN 0.480 nan 8.150 nan 0.000 0.446 47 E N -0.596 119.644 120.200 0.067 0.000 2.340 47 E HA -0.014 4.336 4.350 -0.000 0.000 0.198 47 E C 0.040 176.658 176.600 0.030 0.000 0.961 47 E CA 0.350 56.773 56.400 0.039 0.000 0.905 47 E CB 0.213 29.929 29.700 0.027 0.000 0.884 47 E HN 0.413 nan 8.360 nan 0.000 0.491 48 D N -0.074 120.369 120.400 0.073 0.000 2.395 48 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 48 D C 0.926 177.056 176.300 -0.283 0.000 1.146 48 D CA 0.415 54.387 54.000 -0.047 0.000 0.830 48 D CB 0.790 41.627 40.800 0.062 0.000 0.958 48 D HN 0.290 nan 8.370 nan 0.000 0.501 49 G N 0.399 109.106 108.800 -0.156 0.000 2.176 49 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 49 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 49 G C 1.005 175.820 174.900 -0.142 0.000 0.979 49 G CA 0.196 45.182 45.100 -0.189 0.000 0.641 49 G HN 0.361 nan 8.290 nan 0.000 0.530 50 W N 0.247 121.579 121.300 0.054 0.000 2.379 50 W HA 0.111 4.771 4.660 -0.000 0.000 0.307 50 W C 2.701 179.345 176.519 0.208 0.000 1.200 50 W CA 1.426 58.853 57.345 0.138 0.000 1.297 50 W CB -0.408 29.064 29.460 0.020 0.000 1.140 50 W HN 0.316 nan 8.180 nan 0.000 0.507 51 R N 0.964 121.667 120.500 0.339 0.000 2.096 51 R HA -0.233 4.107 4.340 -0.000 0.000 0.240 51 R C 1.778 178.159 176.300 0.135 0.000 1.139 51 R CA 2.185 58.409 56.100 0.208 0.000 0.952 51 R CB -0.255 30.118 30.300 0.123 0.000 0.854 51 R HN 0.055 nan 8.270 nan 0.000 0.436 52 E N 0.449 120.707 120.200 0.096 0.000 2.204 52 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 52 E C 1.793 178.419 176.600 0.044 0.000 0.990 52 E CA 0.988 57.416 56.400 0.047 0.000 0.821 52 E CB -0.070 29.639 29.700 0.016 0.000 0.750 52 E HN 0.410 nan 8.360 nan 0.000 0.477 53 L N -1.609 119.669 121.223 0.091 0.000 2.395 53 L HA 0.130 4.470 4.340 -0.000 0.000 0.218 53 L C 1.538 178.390 176.870 -0.030 0.000 1.130 53 L CA 0.716 55.592 54.840 0.060 0.000 0.826 53 L CB -0.006 42.153 42.059 0.167 0.000 0.941 53 L HN 0.391 nan 8.230 nan 0.000 0.451 54 G N -2.108 106.692 108.800 -0.000 0.000 2.336 54 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.194 54 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.194 54 G C -0.103 174.753 174.900 -0.073 0.000 0.999 54 G CA -0.698 44.352 45.100 -0.084 0.000 0.669 54 G HN 0.124 nan 8.290 nan 0.000 0.482 55 Y N 2.284 122.665 120.300 0.135 0.000 2.697 55 Y HA 0.370 4.920 4.550 0.000 0.000 0.349 55 Y C 1.749 177.705 175.900 0.094 0.000 1.120 55 Y CA 1.032 59.222 58.100 0.149 0.000 1.468 55 Y CB 0.714 39.306 38.460 0.221 0.000 1.182 55 Y HN 0.437 nan 8.280 nan 0.000 0.525 56 K N 0.504 120.990 120.400 0.143 0.000 2.464 56 K HA 0.157 4.477 4.320 -0.000 0.000 0.206 56 K C -0.836 175.697 176.600 -0.113 0.000 1.186 56 K CA -0.203 56.064 56.287 -0.034 0.000 0.990 56 K CB 0.326 32.707 32.500 -0.198 0.000 1.003 56 K HN 0.309 nan 8.250 nan 0.000 0.562 57 Y N 2.038 122.438 120.300 0.166 0.000 2.316 57 Y HA 0.286 4.836 4.550 -0.000 0.000 0.331 57 Y C 0.145 176.176 175.900 0.218 0.000 1.083 57 Y CA -1.100 57.098 58.100 0.162 0.000 1.206 57 Y CB 0.952 39.496 38.460 0.140 0.000 1.195 57 Y HN -0.021 nan 8.280 nan 0.000 0.497 58 I N 4.780 125.562 120.570 0.354 0.000 2.405 58 I HA 0.228 4.398 4.170 -0.000 0.000 0.280 58 I C -0.897 175.458 176.117 0.396 0.000 1.027 58 I CA -0.950 60.601 61.300 0.418 0.000 1.161 58 I CB 0.637 38.799 38.000 0.270 0.000 1.300 58 I HN 0.590 nan 8.210 nan 0.000 0.463 59 N N 6.819 125.792 118.700 0.454 0.000 2.408 59 N HA 0.523 5.263 4.740 -0.000 0.000 0.280 59 N C -0.232 175.440 175.510 0.270 0.000 1.002 59 N CA -0.430 52.764 53.050 0.241 0.000 0.907 59 N CB 2.229 40.805 38.487 0.148 0.000 1.161 59 N HN 0.411 nan 8.380 nan 0.000 0.488 60 I N 0.884 121.426 120.570 -0.047 0.000 2.428 60 I HA 0.161 4.331 4.170 -0.000 0.000 0.289 60 I C 0.826 176.984 176.117 0.067 0.000 1.019 60 I CA -0.167 61.043 61.300 -0.149 0.000 1.351 60 I CB 0.938 38.481 38.000 -0.763 0.000 1.412 60 I HN 0.490 nan 8.210 nan 0.000 0.513 61 D N 3.056 123.586 120.400 0.216 0.000 2.535 61 D HA 0.147 4.787 4.640 -0.000 0.000 0.240 61 D C -0.445 175.753 176.300 -0.170 0.000 1.200 61 D CA -0.386 53.647 54.000 0.056 0.000 1.088 61 D CB 0.651 41.521 40.800 0.116 0.000 1.197 61 D HN 0.460 nan 8.370 nan 0.000 0.620 62 D N -1.099 118.828 120.400 -0.789 0.000 2.361 62 D HA 0.082 4.722 4.640 -0.000 0.000 0.239 62 D C -0.044 176.139 176.300 -0.195 0.000 1.200 62 D CA 0.097 53.642 54.000 -0.758 0.000 0.915 62 D CB 0.472 40.732 40.800 -0.899 0.000 1.170 62 D HN 0.568 nan 8.370 nan 0.000 0.444 63 c N 1.400 119.654 118.600 -0.576 0.000 4.534 63 c HA -0.115 4.455 4.570 -0.000 0.000 0.275 63 c C 1.568 175.410 174.090 -0.413 0.000 1.291 63 c CA 0.103 55.822 56.329 -1.017 0.000 1.876 63 c CB -2.489 39.850 42.510 -0.285 0.000 1.339 63 c HN 0.784 nan 8.230 nan 0.000 0.746 64 W N 0.339 121.503 121.300 -0.228 0.000 2.762 64 W HA 0.564 5.224 4.660 -0.000 0.000 0.265 64 W C 0.944 177.459 176.519 -0.006 0.000 1.263 64 W CA 0.753 58.109 57.345 0.018 0.000 1.411 64 W CB -1.018 28.309 29.460 -0.223 0.000 1.065 64 W HN 0.582 nan 8.180 nan 0.000 0.609 65 A N 1.960 124.170 122.820 -1.017 0.000 2.259 65 A HA 0.592 4.912 4.320 -0.000 0.000 0.278 65 A C 0.332 177.876 177.584 -0.067 0.000 1.107 65 A CA 0.063 51.603 52.037 -0.829 0.000 0.828 65 A CB 0.041 18.296 19.000 -1.242 0.000 1.111 65 A HN 0.291 nan 8.150 nan 0.000 0.498 66 A N -0.394 122.408 122.820 -0.029 0.000 2.332 66 A HA 0.406 4.726 4.320 -0.000 0.000 0.258 66 A C 0.870 178.472 177.584 0.030 0.000 1.087 66 A CA -0.089 51.987 52.037 0.064 0.000 0.802 66 A CB 0.049 19.083 19.000 0.056 0.000 1.042 66 A HN 0.803 nan 8.150 nan 0.000 0.489 67 K N 0.023 120.409 120.400 -0.023 0.000 2.442 67 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 67 K C 0.453 176.997 176.600 -0.093 0.000 1.044 67 K CA 1.055 57.260 56.287 -0.137 0.000 0.948 67 K CB -0.071 32.334 32.500 -0.160 0.000 0.762 67 K HN 0.779 nan 8.250 nan 0.000 0.472 68 Q N -0.060 119.714 119.800 -0.044 0.000 2.482 68 Q HA 0.293 4.633 4.340 -0.000 0.000 0.286 68 Q C -1.169 174.824 176.000 -0.012 0.000 1.007 68 Q CA -0.881 54.902 55.803 -0.034 0.000 0.801 68 Q CB 1.121 29.839 28.738 -0.032 0.000 1.455 68 Q HN -0.097 nan 8.270 nan 0.000 0.398 69 R N 0.818 121.311 120.500 -0.012 0.000 2.707 69 R HA 0.192 4.532 4.340 -0.000 0.000 0.270 69 R C 0.124 176.430 176.300 0.009 0.000 1.083 69 R CA 0.162 56.263 56.100 0.002 0.000 1.182 69 R CB 0.253 30.545 30.300 -0.013 0.000 1.084 69 R HN 0.768 nan 8.270 nan 0.000 0.528 70 D N 0.569 120.983 120.400 0.023 0.000 2.356 70 D HA 0.012 4.652 4.640 -0.000 0.000 0.258 70 D C 0.786 177.090 176.300 0.006 0.000 1.279 70 D CA 0.005 54.020 54.000 0.024 0.000 1.016 70 D CB 0.164 40.988 40.800 0.040 0.000 1.107 70 D HN 0.429 nan 8.370 nan 0.000 0.544 71 A N -0.674 122.150 122.820 0.006 0.000 1.972 71 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 71 A C 1.852 179.430 177.584 -0.010 0.000 1.169 71 A CA 1.318 53.354 52.037 -0.002 0.000 0.635 71 A CB -0.835 18.165 19.000 0.001 0.000 0.810 71 A HN 0.665 nan 8.150 nan 0.000 0.446 72 E N -1.270 118.924 120.200 -0.010 0.000 2.511 72 E HA 0.200 4.550 4.350 -0.000 0.000 0.196 72 E C 1.047 177.627 176.600 -0.033 0.000 1.066 72 E CA 0.252 56.640 56.400 -0.021 0.000 0.871 72 E CB -0.218 29.469 29.700 -0.021 0.000 0.863 72 E HN 0.757 nan 8.360 nan 0.000 0.520 73 G N 2.478 111.260 108.800 -0.029 0.000 2.137 73 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.237 73 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.237 73 G C 0.145 175.013 174.900 -0.054 0.000 1.002 73 G CA 0.414 45.490 45.100 -0.040 0.000 0.702 73 G HN 0.298 nan 8.290 nan 0.000 0.515 74 R N -0.222 120.251 120.500 -0.045 0.000 2.598 74 R HA 0.731 5.071 4.340 -0.000 0.000 0.279 74 R C 0.351 176.648 176.300 -0.005 0.000 0.984 74 R CA -1.027 55.034 56.100 -0.065 0.000 0.999 74 R CB 0.604 30.856 30.300 -0.080 0.000 1.114 74 R HN 0.144 nan 8.270 nan 0.000 0.493 75 L N 3.895 125.118 121.223 -0.001 0.000 2.416 75 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 75 L C -0.166 176.910 176.870 0.344 0.000 1.161 75 L CA -0.432 54.494 54.840 0.143 0.000 0.845 75 L CB 1.294 43.497 42.059 0.239 0.000 1.119 75 L HN 0.506 nan 8.230 nan 0.000 0.464 76 V N 1.425 121.522 119.914 0.305 0.000 2.925 76 V HA 0.668 4.788 4.120 -0.000 0.000 0.311 76 V C -2.607 173.644 176.094 0.260 0.000 1.104 76 V CA -2.055 60.476 62.300 0.385 0.000 0.954 76 V CB 1.807 33.771 31.823 0.235 0.000 1.022 76 V HN 0.527 nan 8.190 nan 0.000 0.427 77 P HA 0.130 nan 4.420 nan 0.000 0.274 77 P C -0.564 176.870 177.300 0.223 0.000 1.246 77 P CA -0.011 63.222 63.100 0.221 0.000 0.795 77 P CB 0.737 32.456 31.700 0.032 0.000 1.006 78 D N 1.608 122.209 120.400 0.336 0.000 2.434 78 D HA 0.008 4.648 4.640 -0.000 0.000 0.252 78 D C -1.429 175.055 176.300 0.306 0.000 1.185 78 D CA -1.396 52.797 54.000 0.322 0.000 0.886 78 D CB 0.656 41.684 40.800 0.379 0.000 1.148 78 D HN 0.082 nan 8.370 nan 0.000 0.483 79 P HA -0.160 nan 4.420 nan 0.000 0.215 79 P C 0.763 178.132 177.300 0.115 0.000 1.157 79 P CA 1.438 64.624 63.100 0.143 0.000 0.874 79 P CB 0.280 32.041 31.700 0.102 0.000 0.790 80 E N -0.848 119.409 120.200 0.094 0.000 2.076 80 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 80 E C 2.091 178.694 176.600 0.004 0.000 0.979 80 E CA 0.711 57.138 56.400 0.046 0.000 0.807 80 E CB -0.256 29.466 29.700 0.037 0.000 0.761 80 E HN 0.235 nan 8.360 nan 0.000 0.454 81 R N -0.281 120.221 120.500 0.003 0.000 2.240 81 R HA 0.075 4.415 4.340 -0.000 0.000 0.203 81 R C 0.158 176.169 176.300 -0.481 0.000 1.011 81 R CA 0.504 56.476 56.100 -0.214 0.000 1.007 81 R CB 0.320 30.495 30.300 -0.208 0.000 0.911 81 R HN 0.071 nan 8.270 nan 0.000 0.468 82 F N 0.629 120.618 119.950 0.065 0.000 2.577 82 F HA 0.281 4.808 4.527 0.000 0.000 0.342 82 F C -1.672 174.137 175.800 0.016 0.000 1.479 82 F CA -2.142 55.882 58.000 0.040 0.000 1.110 82 F CB 1.490 40.526 39.000 0.060 0.000 1.306 82 F HN -0.157 nan 8.300 nan 0.000 0.554 83 P HA -0.173 nan 4.420 nan 0.000 0.223 83 P C 1.049 178.386 177.300 0.062 0.000 1.144 83 P CA 1.334 64.477 63.100 0.071 0.000 0.783 83 P CB 0.265 31.980 31.700 0.025 0.000 0.771 84 R N -0.828 119.706 120.500 0.057 0.000 2.362 84 R HA 0.347 4.687 4.340 -0.000 0.000 0.227 84 R C 0.887 177.200 176.300 0.022 0.000 0.905 84 R CA 0.402 56.522 56.100 0.033 0.000 1.067 84 R CB 0.234 30.538 30.300 0.006 0.000 1.078 84 R HN 0.183 nan 8.270 nan 0.000 0.516 85 G N 0.890 109.708 108.800 0.031 0.000 2.814 85 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.677 85 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.677 85 G C 0.413 175.165 174.900 -0.247 0.000 1.429 85 G CA -0.672 44.380 45.100 -0.080 0.000 0.868 85 G HN -0.017 nan 8.290 nan 0.000 0.553 86 I N 0.635 120.816 120.570 -0.648 0.000 2.233 86 I HA -0.059 4.111 4.170 -0.000 0.000 0.243 86 I C 2.735 178.558 176.117 -0.490 0.000 1.093 86 I CA 2.214 63.010 61.300 -0.839 0.000 1.380 86 I CB -1.147 35.818 38.000 -1.726 0.000 1.067 86 I HN 0.803 nan 8.210 nan 0.000 0.413 87 K N 1.267 121.435 120.400 -0.387 0.000 2.074 87 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 87 K C 2.156 178.755 176.600 -0.001 0.000 1.048 87 K CA 1.893 58.178 56.287 -0.003 0.000 0.926 87 K CB -0.030 32.589 32.500 0.198 0.000 0.713 87 K HN 0.272 nan 8.250 nan 0.000 0.444 88 A N 1.012 123.817 122.820 -0.024 0.000 1.930 88 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 88 A C 2.016 179.608 177.584 0.014 0.000 1.175 88 A CA 1.293 53.340 52.037 0.016 0.000 0.627 88 A CB -0.559 18.447 19.000 0.011 0.000 0.815 88 A HN 0.394 nan 8.150 nan 0.000 0.443 89 L N -0.169 121.025 121.223 -0.049 0.000 2.046 89 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 89 L C 2.635 179.480 176.870 -0.041 0.000 1.077 89 L CA 2.172 56.992 54.840 -0.033 0.000 0.747 89 L CB -0.868 41.140 42.059 -0.085 0.000 0.896 89 L HN 0.337 nan 8.230 nan 0.000 0.432 90 A N -0.688 122.054 122.820 -0.130 0.000 1.877 90 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 90 A C 1.999 179.408 177.584 -0.291 0.000 1.186 90 A CA 1.881 53.746 52.037 -0.285 0.000 0.620 90 A CB -0.895 17.998 19.000 -0.177 0.000 0.822 90 A HN 0.540 nan 8.150 nan 0.000 0.443 91 D N -1.572 118.833 120.400 0.009 0.000 2.123 91 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 91 D C 1.683 178.048 176.300 0.108 0.000 0.992 91 D CA 1.664 55.742 54.000 0.131 0.000 0.833 91 D CB -0.521 40.360 40.800 0.136 0.000 0.954 91 D HN 0.605 nan 8.370 nan 0.000 0.455 92 Y N 1.588 121.875 120.300 -0.023 0.000 2.128 92 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 92 Y C 2.309 178.194 175.900 -0.025 0.000 1.154 92 Y CA 1.221 59.311 58.100 -0.016 0.000 1.149 92 Y CB -0.347 38.099 38.460 -0.022 0.000 0.976 92 Y HN -0.203 nan 8.280 nan 0.000 0.505 93 V N -0.092 119.832 119.914 0.017 0.000 2.307 93 V HA -0.319 3.801 4.120 -0.000 0.000 0.245 93 V C 2.361 178.419 176.094 -0.060 0.000 1.045 93 V CA 2.246 64.507 62.300 -0.065 0.000 1.024 93 V CB -0.819 30.951 31.823 -0.088 0.000 0.651 93 V HN 0.478 nan 8.190 nan 0.000 0.449 94 H N 0.562 119.623 119.070 -0.014 0.000 2.352 94 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 94 H C 2.356 177.651 175.328 -0.054 0.000 1.097 94 H CA 1.556 57.590 56.048 -0.023 0.000 1.311 94 H CB -0.703 29.062 29.762 0.004 0.000 1.377 94 H HN 0.449 nan 8.280 nan 0.000 0.504 95 A N 1.080 123.925 122.820 0.041 0.000 2.131 95 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 95 A C 2.164 179.695 177.584 -0.088 0.000 1.158 95 A CA 1.044 53.056 52.037 -0.041 0.000 0.665 95 A CB -0.132 18.811 19.000 -0.096 0.000 0.795 95 A HN 0.157 nan 8.150 nan 0.000 0.460 96 R N -1.427 119.004 120.500 -0.114 0.000 2.334 96 R HA 0.162 4.502 4.340 -0.000 0.000 0.216 96 R C 1.182 177.459 176.300 -0.040 0.000 0.905 96 R CA 0.687 56.724 56.100 -0.105 0.000 1.064 96 R CB -0.314 29.895 30.300 -0.151 0.000 1.046 96 R HN 0.766 nan 8.270 nan 0.000 0.508 97 G N 1.332 110.126 108.800 -0.010 0.000 2.143 97 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 97 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 97 G C 0.146 175.049 174.900 0.004 0.000 0.991 97 G CA 0.251 45.352 45.100 0.001 0.000 0.689 97 G HN 0.205 nan 8.290 nan 0.000 0.522 98 L N -1.305 119.928 121.223 0.016 0.000 2.347 98 L HA 0.770 5.110 4.340 -0.000 0.000 0.268 98 L C 0.636 177.526 176.870 0.032 0.000 1.019 98 L CA -1.122 53.716 54.840 -0.003 0.000 0.806 98 L CB 1.209 43.269 42.059 0.002 0.000 1.339 98 L HN -0.005 nan 8.230 nan 0.000 0.463 99 K N 0.752 121.125 120.400 -0.046 0.000 2.375 99 K HA 0.581 4.901 4.320 -0.000 0.000 0.249 99 K C -1.529 175.115 176.600 0.074 0.000 0.942 99 K CA -0.798 55.499 56.287 0.017 0.000 0.806 99 K CB 2.688 35.076 32.500 -0.187 0.000 1.227 99 K HN 0.191 nan 8.250 nan 0.000 0.430 100 L N 1.143 122.404 121.223 0.063 0.000 2.307 100 L HA 0.552 4.892 4.340 -0.000 0.000 0.284 100 L C -0.314 176.598 176.870 0.070 0.000 1.023 100 L CA 0.168 55.019 54.840 0.017 0.000 0.810 100 L CB 1.495 43.465 42.059 -0.149 0.000 1.231 100 L HN 0.742 nan 8.230 nan 0.000 0.423 101 G N 4.961 113.794 108.800 0.054 0.000 2.432 101 G HA2 0.639 4.599 3.960 -0.000 0.000 0.331 101 G HA3 0.639 4.599 3.960 -0.000 0.000 0.331 101 G C -1.360 173.431 174.900 -0.182 0.000 1.170 101 G CA -0.448 44.650 45.100 -0.003 0.000 0.943 101 G HN 0.727 nan 8.290 nan 0.000 0.483 102 I N -0.381 120.029 120.570 -0.267 0.000 3.206 102 I HA 0.746 4.916 4.170 -0.000 0.000 0.313 102 I C -1.646 174.326 176.117 -0.242 0.000 1.103 102 I CA -1.575 59.452 61.300 -0.455 0.000 0.985 102 I CB 2.620 40.164 38.000 -0.761 0.000 1.240 102 I HN 0.544 nan 8.210 nan 0.000 0.464 103 Y N 2.124 122.248 120.300 -0.293 0.000 2.462 103 Y HA 0.787 5.337 4.550 0.000 0.000 0.346 103 Y C -0.515 175.529 175.900 0.240 0.000 0.976 103 Y CA -0.354 57.756 58.100 0.016 0.000 1.044 103 Y CB 1.992 40.528 38.460 0.127 0.000 1.230 103 Y HN 0.569 nan 8.280 nan 0.000 0.455 104 G N 3.095 111.612 108.800 -0.472 0.000 2.708 104 G HA2 0.383 4.343 3.960 -0.000 0.000 0.289 104 G HA3 0.383 4.343 3.960 -0.000 0.000 0.289 104 G C -2.376 172.191 174.900 -0.555 0.000 1.416 104 G CA -0.775 44.203 45.100 -0.203 0.000 0.829 104 G HN 0.558 nan 8.290 nan 0.000 0.480 105 D N 0.451 120.719 120.400 -0.221 0.000 2.788 105 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 105 D C -0.800 175.414 176.300 -0.143 0.000 1.236 105 D CA -0.514 53.369 54.000 -0.195 0.000 0.898 105 D CB 2.135 42.902 40.800 -0.055 0.000 1.401 105 D HN 0.245 nan 8.370 nan 0.000 0.549 106 L N 4.374 125.458 121.223 -0.232 0.000 2.433 106 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 106 L C 0.275 177.017 176.870 -0.215 0.000 1.120 106 L CA 0.873 55.535 54.840 -0.297 0.000 0.879 106 L CB -0.536 41.161 42.059 -0.602 0.000 1.232 106 L HN 0.769 nan 8.230 nan 0.000 0.454 107 G N 4.945 113.671 108.800 -0.124 0.000 2.341 107 G HA2 0.050 4.010 3.960 -0.000 0.000 0.293 107 G HA3 0.050 4.010 3.960 -0.000 0.000 0.293 107 G C 0.240 175.141 174.900 0.000 0.000 1.298 107 G CA -0.613 44.456 45.100 -0.052 0.000 0.868 107 G HN 0.509 nan 8.290 nan 0.000 0.540 108 R N -0.985 119.542 120.500 0.045 0.000 2.148 108 R HA 0.270 4.610 4.340 -0.000 0.000 0.223 108 R C 0.641 176.941 176.300 -0.000 0.000 1.088 108 R CA 0.968 57.071 56.100 0.006 0.000 0.985 108 R CB -0.128 30.160 30.300 -0.020 0.000 0.880 108 R HN 0.380 nan 8.270 nan 0.000 0.451 109 L N -0.726 120.547 121.223 0.083 0.000 2.518 109 L HA 0.259 4.599 4.340 -0.000 0.000 0.257 109 L C -0.095 176.940 176.870 0.275 0.000 0.980 109 L CA -1.065 53.833 54.840 0.097 0.000 0.837 109 L CB 2.353 44.351 42.059 -0.101 0.000 1.410 109 L HN 0.011 nan 8.230 nan 0.000 0.410 110 T N -3.432 111.280 114.554 0.263 0.000 2.828 110 T HA 0.110 4.460 4.350 -0.000 0.000 0.290 110 T C 1.172 176.089 174.700 0.362 0.000 1.019 110 T CA -0.610 61.683 62.100 0.322 0.000 1.031 110 T CB 1.051 70.180 68.868 0.435 0.000 1.001 110 T HN 0.674 nan 8.240 nan 0.000 0.531 111 c N 1.136 119.909 118.600 0.288 0.000 2.410 111 c HA 0.101 4.671 4.570 -0.000 0.000 0.281 111 c C 2.827 177.074 174.090 0.261 0.000 1.318 111 c CA 0.800 57.268 56.329 0.232 0.000 1.776 111 c CB -1.826 40.747 42.510 0.105 0.000 1.942 111 c HN 1.064 nan 8.230 nan 0.000 0.508 112 G N -1.208 107.748 108.800 0.260 0.000 2.985 112 G HA2 0.392 4.352 3.960 -0.000 0.000 0.209 112 G HA3 0.392 4.352 3.960 -0.000 0.000 0.209 112 G C 1.194 176.316 174.900 0.370 0.000 1.165 112 G CA 0.876 46.173 45.100 0.329 0.000 0.776 112 G HN 0.925 nan 8.290 nan 0.000 0.541 113 G N -1.539 107.435 108.800 0.290 0.000 2.144 113 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 113 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 113 G C 0.065 174.919 174.900 -0.077 0.000 0.988 113 G CA -0.053 45.092 45.100 0.076 0.000 0.659 113 G HN 0.421 nan 8.290 nan 0.000 0.522 114 Y N 0.063 120.386 120.300 0.038 0.000 2.458 114 Y HA 0.532 5.082 4.550 -0.000 0.000 0.322 114 Y C -1.777 174.113 175.900 -0.017 0.000 1.259 114 Y CA -2.400 55.692 58.100 -0.013 0.000 1.302 114 Y CB 0.893 39.322 38.460 -0.052 0.000 1.314 114 Y HN -0.070 nan 8.280 nan 0.000 0.509 115 P HA -0.029 nan 4.420 nan 0.000 0.258 115 P C -0.224 177.113 177.300 0.063 0.000 1.172 115 P CA 0.379 63.496 63.100 0.028 0.000 0.762 115 P CB 0.239 31.937 31.700 -0.003 0.000 0.764 116 G N 2.274 111.099 108.800 0.040 0.000 2.477 116 G HA2 0.372 4.332 3.960 -0.000 0.000 0.304 116 G HA3 0.372 4.332 3.960 -0.000 0.000 0.304 116 G C -0.566 174.338 174.900 0.008 0.000 1.175 116 G CA -0.376 44.748 45.100 0.041 0.000 0.907 116 G HN 0.289 nan 8.290 nan 0.000 0.509 117 T N 1.495 116.043 114.554 -0.010 0.000 3.016 117 T HA 0.396 4.746 4.350 -0.000 0.000 0.335 117 T C 0.907 175.560 174.700 -0.079 0.000 1.176 117 T CA -0.310 61.767 62.100 -0.039 0.000 0.987 117 T CB -0.151 68.702 68.868 -0.026 0.000 1.073 117 T HN 0.780 nan 8.240 nan 0.000 0.547 118 T N 1.039 115.551 114.554 -0.071 0.000 2.766 118 T HA 0.332 4.682 4.350 -0.000 0.000 0.295 118 T C 1.819 176.460 174.700 -0.097 0.000 1.024 118 T CA -0.878 61.174 62.100 -0.081 0.000 1.018 118 T CB 0.616 69.446 68.868 -0.063 0.000 1.002 118 T HN 0.323 nan 8.240 nan 0.000 0.532 119 L N 0.857 122.018 121.223 -0.102 0.000 2.081 119 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 119 L C 2.647 179.462 176.870 -0.092 0.000 1.080 119 L CA 1.937 56.714 54.840 -0.106 0.000 0.754 119 L CB -0.756 41.245 42.059 -0.098 0.000 0.893 119 L HN 0.852 nan 8.230 nan 0.000 0.433 120 D N -0.681 119.672 120.400 -0.079 0.000 2.363 120 D HA -0.152 4.488 4.640 -0.000 0.000 0.220 120 D C 1.766 178.017 176.300 -0.081 0.000 0.994 120 D CA 0.551 54.508 54.000 -0.073 0.000 0.890 120 D CB -0.039 40.724 40.800 -0.062 0.000 0.906 120 D HN 0.309 nan 8.370 nan 0.000 0.530 121 R N 0.264 120.711 120.500 -0.089 0.000 2.365 121 R HA 0.172 4.512 4.340 -0.000 0.000 0.223 121 R C 2.165 178.393 176.300 -0.121 0.000 0.899 121 R CA -0.047 55.993 56.100 -0.101 0.000 1.059 121 R CB 0.192 30.437 30.300 -0.090 0.000 1.086 121 R HN 0.097 nan 8.270 nan 0.000 0.522 122 V N 1.606 121.451 119.914 -0.114 0.000 2.231 122 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 122 V C 1.892 177.909 176.094 -0.130 0.000 1.054 122 V CA 2.100 64.328 62.300 -0.119 0.000 1.015 122 V CB -0.321 31.429 31.823 -0.121 0.000 0.638 122 V HN 0.199 nan 8.190 nan 0.000 0.444 123 E N -0.184 119.944 120.200 -0.119 0.000 2.085 123 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 123 E C 2.222 178.731 176.600 -0.152 0.000 0.994 123 E CA 1.689 58.018 56.400 -0.119 0.000 0.801 123 E CB -0.377 29.265 29.700 -0.097 0.000 0.743 123 E HN 0.703 nan 8.360 nan 0.000 0.453 124 Q N 0.432 120.135 119.800 -0.163 0.000 2.050 124 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 124 Q C 1.139 176.950 176.000 -0.314 0.000 0.980 124 Q CA 1.752 57.433 55.803 -0.203 0.000 0.840 124 Q CB 0.032 28.666 28.738 -0.173 0.000 0.898 124 Q HN 0.191 nan 8.270 nan 0.000 0.424 125 D N 0.215 120.407 120.400 -0.347 0.000 2.117 125 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 125 D C 1.721 177.555 176.300 -0.777 0.000 0.987 125 D CA 1.357 54.980 54.000 -0.629 0.000 0.829 125 D CB -0.315 40.221 40.800 -0.440 0.000 0.961 125 D HN 0.413 nan 8.370 nan 0.000 0.460 126 A N 0.592 123.217 122.820 -0.325 0.000 1.933 126 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 126 A C 2.127 179.619 177.584 -0.154 0.000 1.175 126 A CA 1.695 53.665 52.037 -0.112 0.000 0.628 126 A CB -0.639 18.316 19.000 -0.075 0.000 0.814 126 A HN 0.239 nan 8.150 nan 0.000 0.444 127 Q N -0.956 118.707 119.800 -0.228 0.000 2.079 127 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 127 Q C 2.070 177.889 176.000 -0.302 0.000 0.974 127 Q CA 1.942 57.621 55.803 -0.206 0.000 0.840 127 Q CB -0.210 28.413 28.738 -0.191 0.000 0.898 127 Q HN 0.618 nan 8.270 nan 0.000 0.430 128 T N 0.651 114.901 114.554 -0.506 0.000 2.708 128 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 128 T C 1.328 175.580 174.700 -0.746 0.000 1.037 128 T CA 1.388 63.022 62.100 -0.777 0.000 1.146 128 T CB -0.316 67.956 68.868 -0.995 0.000 0.865 128 T HN 0.225 nan 8.240 nan 0.000 0.435 129 F N 1.843 121.597 119.950 -0.327 0.000 2.102 129 F HA 0.073 4.600 4.527 -0.000 0.000 0.298 129 F C 2.700 178.508 175.800 0.012 0.000 1.105 129 F CA 0.228 58.195 58.000 -0.055 0.000 1.239 129 F CB -1.500 37.513 39.000 0.022 0.000 0.991 129 F HN 0.143 nan 8.300 nan 0.000 0.474 130 A N 0.110 123.012 122.820 0.137 0.000 1.883 130 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 130 A C 2.157 179.792 177.584 0.085 0.000 1.186 130 A CA 1.842 53.940 52.037 0.101 0.000 0.624 130 A CB -0.919 18.105 19.000 0.039 0.000 0.822 130 A HN 0.449 nan 8.150 nan 0.000 0.444 131 E N -1.298 118.895 120.200 -0.012 0.000 2.118 131 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 131 E C 1.681 178.364 176.600 0.139 0.000 0.992 131 E CA 1.167 57.563 56.400 -0.007 0.000 0.804 131 E CB -0.203 29.416 29.700 -0.136 0.000 0.741 131 E HN 0.853 nan 8.360 nan 0.000 0.458 132 W N -0.031 121.315 121.300 0.076 0.000 2.595 132 W HA 0.084 4.744 4.660 0.000 0.000 0.257 132 W C 1.414 177.983 176.519 0.083 0.000 1.267 132 W CA 1.422 58.809 57.345 0.069 0.000 1.300 132 W CB -0.200 29.297 29.460 0.061 0.000 1.120 132 W HN 0.246 nan 8.180 nan 0.000 0.618 133 G N -0.208 108.788 108.800 0.327 0.000 2.131 133 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.201 133 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.201 133 G C -0.056 175.034 174.900 0.316 0.000 1.000 133 G CA -0.120 45.166 45.100 0.311 0.000 0.680 133 G HN -0.027 nan 8.290 nan 0.000 0.514 134 V N 0.874 120.940 119.914 0.254 0.000 2.763 134 V HA 0.218 4.338 4.120 -0.000 0.000 0.306 134 V C 1.092 177.295 176.094 0.182 0.000 1.059 134 V CA 1.058 63.459 62.300 0.169 0.000 1.138 134 V CB 1.240 33.142 31.823 0.133 0.000 0.940 134 V HN 0.374 nan 8.190 nan 0.000 0.489 135 D N 2.704 123.216 120.400 0.186 0.000 2.454 135 D HA 0.223 4.863 4.640 -0.000 0.000 0.214 135 D C 0.248 176.689 176.300 0.236 0.000 1.088 135 D CA 0.396 54.542 54.000 0.244 0.000 0.855 135 D CB 1.151 42.146 40.800 0.325 0.000 1.025 135 D HN 0.488 nan 8.370 nan 0.000 0.502 136 M N 1.117 120.803 119.600 0.144 0.000 2.470 136 M HA 0.394 4.874 4.480 -0.000 0.000 0.285 136 M C -2.377 173.913 176.300 -0.017 0.000 1.213 136 M CA -0.883 54.450 55.300 0.055 0.000 0.901 136 M CB 2.978 35.541 32.600 -0.060 0.000 1.718 136 M HN -0.133 nan 8.290 nan 0.000 0.469 137 L N 3.901 125.135 121.223 0.018 0.000 2.438 137 L HA 0.602 4.942 4.340 -0.000 0.000 0.270 137 L C -1.639 175.284 176.870 0.088 0.000 0.972 137 L CA -0.180 54.647 54.840 -0.021 0.000 0.831 137 L CB 1.825 43.874 42.059 -0.017 0.000 1.273 137 L HN 0.755 nan 8.230 nan 0.000 0.405 138 K N 4.864 125.284 120.400 0.033 0.000 2.240 138 K HA 0.514 4.834 4.320 -0.000 0.000 0.271 138 K C -1.578 175.020 176.600 -0.004 0.000 1.018 138 K CA -0.708 55.621 56.287 0.070 0.000 0.874 138 K CB 1.220 33.792 32.500 0.121 0.000 1.098 138 K HN 0.667 nan 8.250 nan 0.000 0.458 139 L N 5.066 126.342 121.223 0.088 0.000 2.283 139 L HA 0.295 4.635 4.340 -0.000 0.000 0.281 139 L C -0.483 176.442 176.870 0.092 0.000 1.033 139 L CA -0.227 54.644 54.840 0.051 0.000 0.848 139 L CB 0.800 43.005 42.059 0.243 0.000 1.226 139 L HN 0.711 nan 8.230 nan 0.000 0.429 140 D N 2.658 122.988 120.400 -0.116 0.000 2.371 140 D HA 0.391 5.031 4.640 -0.000 0.000 0.242 140 D C 0.611 176.884 176.300 -0.045 0.000 1.218 140 D CA 0.370 54.387 54.000 0.029 0.000 0.945 140 D CB 1.782 42.590 40.800 0.013 0.000 1.137 140 D HN 0.655 nan 8.370 nan 0.000 0.464 141 G N 0.021 108.645 108.800 -0.292 0.000 4.100 141 G HA2 0.173 4.133 3.960 -0.000 0.000 0.294 141 G HA3 0.173 4.133 3.960 -0.000 0.000 0.294 141 G C 0.210 174.445 174.900 -1.109 0.000 1.040 141 G CA -0.157 44.468 45.100 -0.793 0.000 0.829 141 G HN 0.482 nan 8.290 nan 0.000 0.505 142 c N 0.185 118.421 118.600 -0.607 0.000 2.657 142 c HA 0.319 4.889 4.570 -0.000 0.000 0.404 142 c C 0.690 174.580 174.090 -0.333 0.000 1.291 142 c CA 0.225 56.259 56.329 -0.490 0.000 2.218 142 c CB -0.716 41.589 42.510 -0.342 0.000 2.687 142 c HN 0.697 nan 8.230 nan 0.000 0.634 143 Y N 1.107 121.364 120.300 -0.072 0.000 3.305 143 Y HA -0.196 4.354 4.550 -0.000 0.000 0.212 143 Y C 0.783 176.634 175.900 -0.082 0.000 1.248 143 Y CA 0.981 59.049 58.100 -0.053 0.000 1.359 143 Y CB -2.375 36.067 38.460 -0.030 0.000 1.407 143 Y HN 0.794 nan 8.280 nan 0.000 0.572 144 S N -1.819 113.852 115.700 -0.049 0.000 2.540 144 S HA 0.814 5.284 4.470 -0.000 0.000 0.275 144 S C -0.030 174.542 174.600 -0.046 0.000 1.123 144 S CA -0.463 57.700 58.200 -0.063 0.000 0.907 144 S CB 2.250 65.367 63.200 -0.139 0.000 1.081 144 S HN 0.711 nan 8.310 nan 0.000 0.476 145 S N 1.421 117.108 115.700 -0.022 0.000 2.632 145 S HA 0.583 5.053 4.470 -0.000 0.000 0.267 145 S C 1.462 176.074 174.600 0.019 0.000 1.276 145 S CA -0.233 57.971 58.200 0.007 0.000 0.998 145 S CB 0.389 63.595 63.200 0.010 0.000 0.953 145 S HN 1.345 nan 8.310 nan 0.000 0.547 146 G N 0.675 109.512 108.800 0.062 0.000 2.442 146 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 146 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 146 G C 1.269 176.223 174.900 0.089 0.000 1.141 146 G CA 1.018 46.189 45.100 0.118 0.000 0.763 146 G HN 0.805 nan 8.290 nan 0.000 0.554 147 K N 0.419 120.844 120.400 0.043 0.000 2.057 147 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 147 K C 2.374 178.957 176.600 -0.029 0.000 1.050 147 K CA 1.464 57.762 56.287 0.019 0.000 0.935 147 K CB -0.153 32.353 32.500 0.009 0.000 0.715 147 K HN 0.378 nan 8.250 nan 0.000 0.439 148 E N 0.299 120.469 120.200 -0.050 0.000 2.106 148 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 148 E C 2.184 178.674 176.600 -0.184 0.000 0.984 148 E CA 1.297 57.636 56.400 -0.102 0.000 0.806 148 E CB 0.110 29.754 29.700 -0.093 0.000 0.750 148 E HN 0.407 nan 8.360 nan 0.000 0.458 149 Q N 0.114 119.801 119.800 -0.189 0.000 2.083 149 Q HA -0.071 4.268 4.340 -0.000 0.000 0.198 149 Q C 2.293 177.917 176.000 -0.627 0.000 0.969 149 Q CA 1.098 56.680 55.803 -0.368 0.000 0.838 149 Q CB -0.132 28.459 28.738 -0.245 0.000 0.900 149 Q HN 0.230 nan 8.270 nan 0.000 0.436 150 A N 0.976 123.605 122.820 -0.319 0.000 1.978 150 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 150 A C 2.031 179.488 177.584 -0.211 0.000 1.170 150 A CA 1.870 53.799 52.037 -0.179 0.000 0.636 150 A CB -0.352 18.734 19.000 0.143 0.000 0.810 150 A HN 0.289 nan 8.150 nan 0.000 0.448 151 Q N -0.702 118.985 119.800 -0.189 0.000 2.134 151 Q HA 0.146 4.486 4.340 -0.000 0.000 0.195 151 Q C 1.981 177.868 176.000 -0.189 0.000 0.958 151 Q CA 1.849 57.567 55.803 -0.141 0.000 0.840 151 Q CB -0.940 27.735 28.738 -0.104 0.000 0.918 151 Q HN 0.370 nan 8.270 nan 0.000 0.467 152 G N -0.612 108.025 108.800 -0.272 0.000 2.418 152 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 152 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 152 G C 0.976 175.673 174.900 -0.338 0.000 1.158 152 G CA 0.925 45.833 45.100 -0.320 0.000 0.771 152 G HN 0.387 nan 8.290 nan 0.000 0.545 153 Y N 1.678 121.765 120.300 -0.354 0.000 2.145 153 Y HA -0.021 4.529 4.550 -0.000 0.000 0.286 153 Y C 0.536 176.440 175.900 0.007 0.000 1.145 153 Y CA 1.756 59.748 58.100 -0.179 0.000 1.148 153 Y CB -1.180 37.007 38.460 -0.455 0.000 0.981 153 Y HN 0.258 nan 8.280 nan 0.000 0.507 154 P HA -0.180 nan 4.420 nan 0.000 0.217 154 P C 1.380 178.705 177.300 0.042 0.000 1.150 154 P CA 1.762 64.929 63.100 0.110 0.000 0.832 154 P CB -0.049 31.694 31.700 0.072 0.000 0.787 155 Q N -0.961 118.821 119.800 -0.029 0.000 2.084 155 Q HA -0.198 4.141 4.340 -0.000 0.000 0.202 155 Q C 2.041 177.993 176.000 -0.081 0.000 0.978 155 Q CA 1.558 57.325 55.803 -0.061 0.000 0.844 155 Q CB -0.433 28.248 28.738 -0.094 0.000 0.898 155 Q HN 0.056 nan 8.270 nan 0.000 0.426 156 M N -0.098 119.443 119.600 -0.097 0.000 2.254 156 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 156 M C 1.775 177.893 176.300 -0.304 0.000 1.066 156 M CA 1.632 56.825 55.300 -0.179 0.000 1.123 156 M CB -0.372 32.129 32.600 -0.165 0.000 1.388 156 M HN 0.225 nan 8.290 nan 0.000 0.425 157 A N 0.444 123.135 122.820 -0.216 0.000 1.877 157 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 157 A C 2.292 179.814 177.584 -0.103 0.000 1.186 157 A CA 1.871 53.793 52.037 -0.191 0.000 0.620 157 A CB -0.624 18.454 19.000 0.130 0.000 0.822 157 A HN 0.594 nan 8.150 nan 0.000 0.443 158 R N -0.596 119.872 120.500 -0.055 0.000 2.081 158 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 158 R C 2.523 178.787 176.300 -0.060 0.000 1.131 158 R CA 1.196 57.272 56.100 -0.039 0.000 0.960 158 R CB -0.522 29.762 30.300 -0.026 0.000 0.856 158 R HN 0.511 nan 8.270 nan 0.000 0.436 159 A N 1.483 124.251 122.820 -0.087 0.000 1.908 159 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 159 A C 2.226 179.761 177.584 -0.083 0.000 1.181 159 A CA 1.229 53.214 52.037 -0.087 0.000 0.627 159 A CB -0.598 18.340 19.000 -0.104 0.000 0.818 159 A HN 0.173 nan 8.150 nan 0.000 0.445 160 L N -0.172 120.983 121.223 -0.113 0.000 2.046 160 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 160 L C 2.658 179.504 176.870 -0.040 0.000 1.077 160 L CA 1.562 56.352 54.840 -0.083 0.000 0.747 160 L CB -0.662 41.305 42.059 -0.153 0.000 0.896 160 L HN 0.548 nan 8.230 nan 0.000 0.432 161 N N 0.672 119.349 118.700 -0.038 0.000 2.120 161 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 161 N C 1.805 177.310 175.510 -0.009 0.000 1.024 161 N CA 1.606 54.651 53.050 -0.008 0.000 0.852 161 N CB 0.093 38.580 38.487 0.000 0.000 1.003 161 N HN 0.313 nan 8.380 nan 0.000 0.424 162 A N 0.149 122.956 122.820 -0.022 0.000 2.019 162 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 162 A C 2.229 179.801 177.584 -0.020 0.000 1.164 162 A CA 2.222 54.246 52.037 -0.022 0.000 0.644 162 A CB -1.184 17.796 19.000 -0.033 0.000 0.805 162 A HN 0.634 nan 8.150 nan 0.000 0.449 163 T N -3.943 110.598 114.554 -0.021 0.000 3.007 163 T HA 0.270 4.620 4.350 -0.000 0.000 0.270 163 T C 1.624 176.323 174.700 -0.001 0.000 1.107 163 T CA 1.276 63.367 62.100 -0.016 0.000 1.118 163 T CB -0.479 68.382 68.868 -0.011 0.000 0.889 163 T HN 1.731 nan 8.240 nan 0.000 0.506 164 G N 1.402 110.204 108.800 0.004 0.000 2.184 164 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 164 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 164 G C 0.160 175.073 174.900 0.023 0.000 0.975 164 G CA 0.280 45.387 45.100 0.012 0.000 0.642 164 G HN 0.867 nan 8.290 nan 0.000 0.536 165 R N 1.493 122.011 120.500 0.030 0.000 2.255 165 R HA 0.479 4.819 4.340 -0.000 0.000 0.326 165 R C -2.230 174.105 176.300 0.058 0.000 0.986 165 R CA -1.911 54.216 56.100 0.045 0.000 0.847 165 R CB 1.192 31.527 30.300 0.058 0.000 1.111 165 R HN 0.097 nan 8.270 nan 0.000 0.452 166 P HA 0.055 nan 4.420 nan 0.000 0.265 166 P C -0.794 176.571 177.300 0.110 0.000 1.222 166 P CA 0.433 63.583 63.100 0.084 0.000 0.767 166 P CB 0.530 32.280 31.700 0.083 0.000 0.801 167 I N 3.604 124.241 120.570 0.111 0.000 2.478 167 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 167 I C 0.231 176.437 176.117 0.149 0.000 1.042 167 I CA -1.362 60.015 61.300 0.129 0.000 1.067 167 I CB 2.446 40.505 38.000 0.099 0.000 1.233 167 I HN 0.009 nan 8.210 nan 0.000 0.431 168 V N 6.160 126.166 119.914 0.154 0.000 2.599 168 V HA -0.092 4.028 4.120 -0.000 0.000 0.300 168 V C -0.570 175.644 176.094 0.199 0.000 1.034 168 V CA 0.365 62.747 62.300 0.137 0.000 1.115 168 V CB 0.207 32.021 31.823 -0.015 0.000 0.934 168 V HN 0.446 nan 8.190 nan 0.000 0.485 169 Y N 4.820 125.168 120.300 0.081 0.000 2.345 169 Y HA 0.494 5.044 4.550 -0.000 0.000 0.331 169 Y C 0.219 176.202 175.900 0.137 0.000 0.959 169 Y CA -1.060 57.105 58.100 0.108 0.000 1.204 169 Y CB 1.498 40.043 38.460 0.141 0.000 1.135 169 Y HN 0.594 nan 8.280 nan 0.000 0.477 170 S N 6.148 121.890 115.700 0.070 0.000 2.422 170 S HA 0.614 5.084 4.470 -0.000 0.000 0.308 170 S C -1.015 173.535 174.600 -0.084 0.000 1.097 170 S CA -0.388 57.804 58.200 -0.012 0.000 1.099 170 S CB -0.437 62.783 63.200 0.033 0.000 0.976 170 S HN 0.683 nan 8.310 nan 0.000 0.471 171 c N 4.171 122.720 118.600 -0.085 0.000 2.322 171 c HA 0.501 5.071 4.570 -0.000 0.000 0.324 171 c C 1.467 175.608 174.090 0.086 0.000 1.284 171 c CA -0.749 55.553 56.329 -0.045 0.000 1.606 171 c CB 0.847 43.232 42.510 -0.209 0.000 2.251 171 c HN 0.947 nan 8.230 nan 0.000 0.502 172 S N 0.845 116.635 115.700 0.151 0.000 2.575 172 S HA -0.044 4.426 4.470 -0.000 0.000 0.215 172 S C 1.439 176.185 174.600 0.242 0.000 0.966 172 S CA -0.307 58.034 58.200 0.236 0.000 0.911 172 S CB -0.156 63.271 63.200 0.379 0.000 0.780 172 S HN 0.933 nan 8.310 nan 0.000 0.514 173 W N 3.884 124.915 121.300 -0.447 0.000 2.290 173 W HA -0.156 4.503 4.660 -0.000 0.000 0.323 173 W C -1.826 174.571 176.519 -0.203 0.000 1.260 173 W CA 1.422 58.423 57.345 -0.575 0.000 1.266 173 W CB -1.958 26.754 29.460 -1.247 0.000 1.149 173 W HN 0.254 nan 8.180 nan 0.000 0.482 174 P HA -0.171 nan 4.420 nan 0.000 0.215 174 P C 1.744 178.987 177.300 -0.095 0.000 1.153 174 P CA 3.335 66.262 63.100 -0.289 0.000 0.853 174 P CB -0.567 30.983 31.700 -0.249 0.000 0.788 175 A N -1.421 121.382 122.820 -0.028 0.000 1.940 175 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 175 A C 1.972 179.403 177.584 -0.255 0.000 1.176 175 A CA 1.592 53.527 52.037 -0.169 0.000 0.631 175 A CB -1.973 16.880 19.000 -0.245 0.000 0.814 175 A HN 0.186 nan 8.150 nan 0.000 0.446 176 Y N -0.578 119.722 120.300 -0.000 0.000 2.509 176 Y HA -0.048 4.502 4.550 -0.000 0.000 0.293 176 Y C 2.054 177.962 175.900 0.015 0.000 1.133 176 Y CA 1.207 59.318 58.100 0.018 0.000 1.283 176 Y CB 0.266 38.774 38.460 0.081 0.000 1.001 176 Y HN 0.286 nan 8.280 nan 0.000 0.555 177 Q N -0.723 119.130 119.800 0.089 0.000 2.220 177 Q HA 0.271 4.611 4.340 -0.000 0.000 0.205 177 Q C 1.574 177.552 176.000 -0.037 0.000 0.865 177 Q CA 0.632 56.443 55.803 0.013 0.000 0.960 177 Q CB 0.843 29.533 28.738 -0.080 0.000 1.097 177 Q HN 0.572 nan 8.270 nan 0.000 0.493 178 G N -0.130 108.649 108.800 -0.035 0.000 2.194 178 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.236 178 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.236 178 G C 0.870 175.822 174.900 0.086 0.000 0.987 178 G CA 0.239 45.343 45.100 0.007 0.000 0.635 178 G HN 0.710 nan 8.290 nan 0.000 0.520 179 G N -1.017 107.805 108.800 0.036 0.000 2.196 179 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.268 179 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.268 179 G C 0.315 175.400 174.900 0.309 0.000 0.975 179 G CA 1.229 46.454 45.100 0.209 0.000 0.648 179 G HN 1.507 nan 8.290 nan 0.000 0.538 180 L N 0.893 122.191 121.223 0.125 0.000 2.354 180 L HA 0.589 4.929 4.340 -0.000 0.000 0.264 180 L C -2.023 174.811 176.870 -0.061 0.000 1.008 180 L CA -2.631 52.249 54.840 0.068 0.000 0.819 180 L CB 2.543 44.630 42.059 0.047 0.000 1.339 180 L HN -0.128 nan 8.230 nan 0.000 0.420 181 P HA 0.178 nan 4.420 nan 0.000 0.274 181 P C -2.250 175.001 177.300 -0.081 0.000 1.237 181 P CA -1.112 61.917 63.100 -0.119 0.000 0.793 181 P CB 0.469 32.116 31.700 -0.089 0.000 0.977 182 P HA 0.056 nan 4.420 nan 0.000 0.240 182 P C 1.100 178.305 177.300 -0.158 0.000 1.190 182 P CA 0.838 63.869 63.100 -0.115 0.000 0.781 182 P CB 0.328 31.982 31.700 -0.078 0.000 0.931 183 K N -0.054 120.259 120.400 -0.144 0.000 2.103 183 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 183 K C 0.772 177.186 176.600 -0.310 0.000 1.048 183 K CA 0.816 57.003 56.287 -0.167 0.000 0.930 183 K CB -0.179 32.252 32.500 -0.115 0.000 0.716 183 K HN 0.082 nan 8.250 nan 0.000 0.444 184 V N 2.137 121.808 119.914 -0.406 0.000 2.472 184 V HA 0.119 4.239 4.120 -0.000 0.000 0.290 184 V C -0.310 175.340 176.094 -0.741 0.000 1.037 184 V CA -0.997 60.873 62.300 -0.716 0.000 0.908 184 V CB 1.502 32.791 31.823 -0.891 0.000 0.985 184 V HN 0.192 nan 8.190 nan 0.000 0.454 185 N N 2.947 121.137 118.700 -0.850 0.000 2.621 185 N HA 0.254 4.994 4.740 -0.000 0.000 0.237 185 N C 0.092 175.095 175.510 -0.845 0.000 0.997 185 N CA -0.355 52.290 53.050 -0.675 0.000 0.918 185 N CB 0.710 38.919 38.487 -0.463 0.000 1.122 185 N HN 0.562 nan 8.380 nan 0.000 0.510 186 Y N 1.357 121.145 120.300 -0.854 0.000 2.497 186 Y HA -0.056 4.494 4.550 -0.000 0.000 0.292 186 Y C 2.173 177.648 175.900 -0.708 0.000 1.137 186 Y CA 0.934 58.439 58.100 -0.993 0.000 1.285 186 Y CB 0.072 37.760 38.460 -1.287 0.000 0.991 186 Y HN 0.424 nan 8.280 nan 0.000 0.556 187 T N 0.106 114.419 114.554 -0.402 0.000 2.812 187 T HA -0.159 4.191 4.350 -0.000 0.000 0.264 187 T C 1.967 176.559 174.700 -0.180 0.000 1.042 187 T CA 1.240 63.264 62.100 -0.126 0.000 1.140 187 T CB -0.530 68.314 68.868 -0.039 0.000 0.870 187 T HN 0.208 nan 8.240 nan 0.000 0.445 188 L N 1.084 122.160 121.223 -0.245 0.000 2.046 188 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 188 L C 2.137 178.889 176.870 -0.196 0.000 1.077 188 L CA 1.551 56.284 54.840 -0.179 0.000 0.747 188 L CB -0.808 41.143 42.059 -0.180 0.000 0.896 188 L HN 0.225 nan 8.230 nan 0.000 0.432 189 L N -0.467 120.502 121.223 -0.423 0.000 2.042 189 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 189 L C 2.510 179.228 176.870 -0.255 0.000 1.076 189 L CA 1.414 55.953 54.840 -0.502 0.000 0.749 189 L CB -1.335 40.008 42.059 -1.192 0.000 0.893 189 L HN 0.490 nan 8.230 nan 0.000 0.432 190 G N -0.679 107.973 108.800 -0.247 0.000 2.432 190 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 190 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 190 G C 1.414 176.308 174.900 -0.010 0.000 1.135 190 G CA 0.591 45.684 45.100 -0.012 0.000 0.767 190 G HN 0.459 nan 8.290 nan 0.000 0.550 191 E N -0.066 120.119 120.200 -0.024 0.000 2.158 191 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 191 E C 2.439 179.106 176.600 0.111 0.000 0.982 191 E CA 0.950 57.367 56.400 0.029 0.000 0.823 191 E CB -0.054 29.653 29.700 0.012 0.000 0.766 191 E HN 0.756 nan 8.360 nan 0.000 0.468 192 I N -2.685 117.977 120.570 0.154 0.000 3.708 192 I HA 0.190 4.360 4.170 -0.000 0.000 0.302 192 I C 0.564 176.911 176.117 0.384 0.000 1.255 192 I CA -0.153 61.302 61.300 0.257 0.000 1.362 192 I CB 0.514 38.684 38.000 0.285 0.000 1.100 192 I HN -0.098 nan 8.210 nan 0.000 0.434 193 c N 1.035 119.836 118.600 0.335 0.000 2.667 193 c HA 0.369 4.939 4.570 -0.000 0.000 0.323 193 c C 1.242 175.561 174.090 0.383 0.000 1.214 193 c CA -0.361 56.166 56.329 0.329 0.000 1.721 193 c CB 1.334 43.991 42.510 0.245 0.000 2.275 193 c HN 0.359 nan 8.230 nan 0.000 0.491 194 N N 0.122 118.985 118.700 0.272 0.000 2.395 194 N HA 0.251 4.991 4.740 -0.000 0.000 0.175 194 N C -0.171 175.384 175.510 0.074 0.000 1.029 194 N CA 0.628 53.795 53.050 0.195 0.000 0.897 194 N CB 0.146 38.751 38.487 0.197 0.000 0.991 194 N HN 0.671 nan 8.380 nan 0.000 0.441 195 L N -3.353 117.892 121.223 0.036 0.000 2.710 195 L HA 0.652 4.992 4.340 -0.000 0.000 0.260 195 L C -2.152 174.707 176.870 -0.018 0.000 0.993 195 L CA -1.340 53.362 54.840 -0.230 0.000 0.877 195 L CB 0.978 42.990 42.059 -0.079 0.000 1.461 195 L HN -0.006 nan 8.230 nan 0.000 0.413 196 W N -0.222 121.146 121.300 0.114 0.000 3.256 196 W HA 0.714 5.374 4.660 -0.000 0.000 0.324 196 W C -1.151 175.442 176.519 0.124 0.000 1.196 196 W CA -0.954 56.437 57.345 0.077 0.000 1.206 196 W CB 0.942 30.442 29.460 0.067 0.000 1.385 196 W HN 0.390 nan 8.180 nan 0.000 0.522 197 R N 2.792 123.474 120.500 0.304 0.000 2.242 197 R HA 0.136 4.476 4.340 -0.000 0.000 0.334 197 R C 0.073 176.550 176.300 0.296 0.000 1.071 197 R CA -0.099 56.148 56.100 0.245 0.000 0.922 197 R CB 0.505 30.897 30.300 0.154 0.000 1.023 197 R HN 0.741 nan 8.270 nan 0.000 0.458 198 N N 1.438 120.375 118.700 0.395 0.000 2.395 198 N HA -0.061 4.679 4.740 -0.000 0.000 0.175 198 N C 0.038 175.518 175.510 -0.051 0.000 1.029 198 N CA 0.853 54.089 53.050 0.310 0.000 0.897 198 N CB 0.023 38.778 38.487 0.447 0.000 0.991 198 N HN 0.501 nan 8.380 nan 0.000 0.441 199 Y N 0.406 120.533 120.300 -0.288 0.000 2.944 199 Y HA 0.337 4.887 4.550 -0.000 0.000 0.312 199 Y C -0.921 174.782 175.900 -0.328 0.000 1.417 199 Y CA -1.700 56.033 58.100 -0.613 0.000 1.105 199 Y CB 0.600 38.448 38.460 -1.020 0.000 1.364 199 Y HN -0.188 nan 8.280 nan 0.000 0.540 200 D N 1.509 121.236 120.400 -1.122 0.000 2.400 200 D HA 0.074 4.714 4.640 -0.000 0.000 0.238 200 D C -0.931 175.196 176.300 -0.288 0.000 1.157 200 D CA 0.456 54.020 54.000 -0.726 0.000 0.889 200 D CB 0.329 40.587 40.800 -0.904 0.000 1.199 200 D HN 0.306 nan 8.370 nan 0.000 0.436 201 D N 0.695 120.996 120.400 -0.165 0.000 2.443 201 D HA 0.065 4.705 4.640 -0.000 0.000 0.239 201 D C 0.456 176.779 176.300 0.038 0.000 1.136 201 D CA -0.044 53.953 54.000 -0.004 0.000 0.879 201 D CB 0.649 41.486 40.800 0.063 0.000 1.195 201 D HN 0.292 nan 8.370 nan 0.000 0.443 202 I N 1.634 122.270 120.570 0.110 0.000 2.575 202 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 202 I C -0.055 176.117 176.117 0.090 0.000 1.085 202 I CA -0.266 61.105 61.300 0.118 0.000 1.403 202 I CB 0.409 38.502 38.000 0.156 0.000 1.409 202 I HN 0.113 nan 8.210 nan 0.000 0.557 203 Q N 4.669 124.511 119.800 0.069 0.000 2.378 203 Q HA 0.258 4.598 4.340 -0.000 0.000 0.276 203 Q C -1.046 174.982 176.000 0.047 0.000 1.083 203 Q CA -0.612 55.221 55.803 0.051 0.000 0.856 203 Q CB 1.146 29.912 28.738 0.047 0.000 1.383 203 Q HN 0.509 nan 8.270 nan 0.000 0.458 204 D N 1.346 121.770 120.400 0.041 0.000 2.608 204 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 204 D C -0.957 175.397 176.300 0.090 0.000 1.123 204 D CA 0.177 54.212 54.000 0.058 0.000 1.030 204 D CB -0.349 40.501 40.800 0.084 0.000 1.093 204 D HN 0.501 nan 8.370 nan 0.000 0.497 205 S N 0.988 116.753 115.700 0.108 0.000 2.552 205 S HA 0.140 4.610 4.470 -0.000 0.000 0.272 205 S C 0.618 175.358 174.600 0.232 0.000 1.150 205 S CA -1.060 57.233 58.200 0.155 0.000 0.849 205 S CB 0.377 63.650 63.200 0.122 0.000 1.113 205 S HN 0.396 nan 8.310 nan 0.000 0.458 206 W N 1.689 123.017 121.300 0.046 0.000 2.358 206 W HA -0.119 4.541 4.660 -0.000 0.000 0.303 206 W C 0.556 177.133 176.519 0.096 0.000 1.208 206 W CA 1.856 59.239 57.345 0.063 0.000 1.274 206 W CB -0.255 29.242 29.460 0.061 0.000 1.138 206 W HN 0.829 nan 8.180 nan 0.000 0.515 207 D N -0.135 120.309 120.400 0.074 0.000 2.178 207 D HA -0.184 4.456 4.640 -0.000 0.000 0.201 207 D C 2.290 178.571 176.300 -0.033 0.000 0.980 207 D CA 1.637 55.607 54.000 -0.049 0.000 0.842 207 D CB -0.529 40.295 40.800 0.040 0.000 0.948 207 D HN 0.083 nan 8.370 nan 0.000 0.472 208 S N -0.392 115.327 115.700 0.031 0.000 2.355 208 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 208 S C 2.141 176.787 174.600 0.077 0.000 1.031 208 S CA 0.925 59.163 58.200 0.062 0.000 0.993 208 S CB -0.241 63.005 63.200 0.077 0.000 0.859 208 S HN 0.039 nan 8.310 nan 0.000 0.453 209 V N 2.354 122.287 119.914 0.032 0.000 2.287 209 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 209 V C 2.444 178.518 176.094 -0.034 0.000 1.053 209 V CA 1.948 64.276 62.300 0.047 0.000 1.027 209 V CB -0.757 31.054 31.823 -0.020 0.000 0.646 209 V HN 0.482 nan 8.190 nan 0.000 0.447 210 L N -0.080 120.959 121.223 -0.306 0.000 2.083 210 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 210 L C 2.721 179.615 176.870 0.040 0.000 1.083 210 L CA 1.834 56.541 54.840 -0.222 0.000 0.752 210 L CB -0.690 41.140 42.059 -0.381 0.000 0.899 210 L HN 0.413 nan 8.230 nan 0.000 0.433 211 S N 0.201 115.949 115.700 0.079 0.000 2.382 211 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 211 S C 1.947 176.746 174.600 0.331 0.000 1.027 211 S CA 1.168 59.486 58.200 0.198 0.000 0.991 211 S CB -0.170 63.143 63.200 0.189 0.000 0.823 211 S HN 0.304 nan 8.310 nan 0.000 0.469 212 I N 0.693 121.478 120.570 0.358 0.000 2.233 212 I HA -0.093 4.077 4.170 -0.000 0.000 0.243 212 I C 2.323 178.680 176.117 0.399 0.000 1.093 212 I CA 0.778 62.363 61.300 0.475 0.000 1.380 212 I CB -0.373 37.906 38.000 0.465 0.000 1.067 212 I HN 0.178 nan 8.210 nan 0.000 0.413 213 V N 0.948 121.041 119.914 0.299 0.000 2.287 213 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 213 V C 2.069 178.419 176.094 0.427 0.000 1.053 213 V CA 2.103 64.604 62.300 0.335 0.000 1.027 213 V CB -0.640 31.377 31.823 0.323 0.000 0.646 213 V HN 0.412 nan 8.190 nan 0.000 0.447 214 D N -1.623 118.971 120.400 0.323 0.000 2.144 214 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 214 D C 1.702 178.107 176.300 0.176 0.000 0.984 214 D CA 1.305 55.464 54.000 0.266 0.000 0.834 214 D CB -0.245 40.672 40.800 0.194 0.000 0.955 214 D HN 0.667 nan 8.370 nan 0.000 0.465 215 W N 0.398 121.641 121.300 -0.096 0.000 2.379 215 W HA -0.132 4.528 4.660 -0.000 0.000 0.307 215 W C 1.968 178.255 176.519 -0.387 0.000 1.200 215 W CA 1.073 58.186 57.345 -0.386 0.000 1.297 215 W CB -0.564 28.268 29.460 -1.045 0.000 1.140 215 W HN -0.167 nan 8.180 nan 0.000 0.507 216 F N -0.821 119.066 119.950 -0.104 0.000 2.146 216 F HA -0.136 4.390 4.527 -0.000 0.000 0.298 216 F C 2.023 177.531 175.800 -0.486 0.000 1.096 216 F CA 1.598 59.382 58.000 -0.359 0.000 1.275 216 F CB -0.995 37.737 39.000 -0.448 0.000 1.008 216 F HN -0.205 nan 8.300 nan 0.000 0.480 217 F N -0.644 119.360 119.950 0.090 0.000 2.293 217 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 217 F C 2.464 178.225 175.800 -0.064 0.000 1.089 217 F CA 1.144 59.176 58.000 0.053 0.000 1.377 217 F CB -1.434 37.675 39.000 0.181 0.000 1.051 217 F HN -0.212 nan 8.300 nan 0.000 0.511 218 T N -0.250 114.310 114.554 0.011 0.000 2.788 218 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 218 T C 1.456 176.025 174.700 -0.219 0.000 1.044 218 T CA 1.316 63.359 62.100 -0.096 0.000 1.139 218 T CB -0.247 68.536 68.868 -0.141 0.000 0.867 218 T HN 0.165 nan 8.240 nan 0.000 0.454 219 N N 1.760 120.207 118.700 -0.421 0.000 2.276 219 N HA 0.030 4.770 4.740 -0.000 0.000 0.212 219 N C 1.805 177.112 175.510 -0.337 0.000 1.127 219 N CA -0.038 52.717 53.050 -0.490 0.000 0.834 219 N CB 0.221 38.135 38.487 -0.955 0.000 1.014 219 N HN 0.689 nan 8.380 nan 0.000 0.491 220 Q N 0.210 119.894 119.800 -0.193 0.000 2.197 220 Q HA -0.173 4.167 4.340 -0.000 0.000 0.207 220 Q C 0.313 176.266 176.000 -0.077 0.000 0.984 220 Q CA 1.272 57.014 55.803 -0.102 0.000 0.869 220 Q CB -0.159 28.600 28.738 0.034 0.000 0.906 220 Q HN 0.023 nan 8.270 nan 0.000 0.426 221 D N 1.285 121.640 120.400 -0.076 0.000 2.182 221 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 221 D C 1.871 178.158 176.300 -0.022 0.000 0.986 221 D CA 1.788 55.757 54.000 -0.052 0.000 0.847 221 D CB 0.131 40.902 40.800 -0.049 0.000 0.942 221 D HN 0.429 nan 8.370 nan 0.000 0.467 222 V N -2.275 117.624 119.914 -0.025 0.000 3.542 222 V HA 0.261 4.381 4.120 -0.000 0.000 0.296 222 V C 1.381 177.546 176.094 0.118 0.000 1.364 222 V CA 0.142 62.503 62.300 0.102 0.000 1.118 222 V CB -0.270 31.571 31.823 0.029 0.000 0.972 222 V HN 0.043 nan 8.190 nan 0.000 0.430 223 L N -1.667 119.550 121.223 -0.010 0.000 2.641 223 L HA 0.229 4.569 4.340 -0.000 0.000 0.207 223 L C 2.443 179.337 176.870 0.041 0.000 1.049 223 L CA 0.533 55.327 54.840 -0.077 0.000 0.866 223 L CB -0.718 41.243 42.059 -0.163 0.000 1.264 223 L HN 0.202 nan 8.230 nan 0.000 0.483 224 Q N 1.756 121.546 119.800 -0.017 0.000 2.112 224 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 224 Q C -0.682 175.269 176.000 -0.082 0.000 0.987 224 Q CA 2.193 57.981 55.803 -0.024 0.000 0.858 224 Q CB -1.152 27.573 28.738 -0.021 0.000 0.905 224 Q HN 0.287 nan 8.270 nan 0.000 0.420 225 P HA -0.073 nan 4.420 nan 0.000 0.226 225 P C 0.240 177.223 177.300 -0.528 0.000 1.153 225 P CA 0.965 63.787 63.100 -0.463 0.000 0.777 225 P CB -0.248 31.016 31.700 -0.727 0.000 0.794 226 F N -1.231 118.751 119.950 0.054 0.000 2.693 226 F HA 0.347 4.874 4.527 -0.000 0.000 0.303 226 F C 1.221 177.228 175.800 0.346 0.000 1.097 226 F CA -0.563 57.538 58.000 0.169 0.000 1.330 226 F CB -0.495 38.584 39.000 0.130 0.000 1.067 226 F HN -0.205 nan 8.300 nan 0.000 0.565 227 A N 0.204 123.172 122.820 0.247 0.000 2.312 227 A HA 0.861 5.181 4.320 -0.000 0.000 0.328 227 A C 0.350 177.768 177.584 -0.277 0.000 1.158 227 A CA 0.118 52.180 52.037 0.042 0.000 0.821 227 A CB 0.568 19.616 19.000 0.081 0.000 1.170 227 A HN 0.371 nan 8.150 nan 0.000 0.490 228 G N 0.404 108.584 108.800 -1.032 0.000 2.356 228 G HA2 0.517 4.477 3.960 -0.000 0.000 0.294 228 G HA3 0.517 4.477 3.960 -0.000 0.000 0.294 228 G C -3.539 170.299 174.900 -1.770 0.000 1.423 228 G CA -0.839 43.597 45.100 -1.107 0.000 0.806 228 G HN 0.451 nan 8.290 nan 0.000 0.527 229 P HA 0.268 nan 4.420 nan 0.000 0.258 229 P C 1.087 178.060 177.300 -0.546 0.000 1.172 229 P CA 2.327 65.121 63.100 -0.509 0.000 0.762 229 P CB 0.747 32.384 31.700 -0.106 0.000 0.764 230 G N 2.278 110.824 108.800 -0.423 0.000 2.217 230 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.246 230 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.246 230 G C -0.040 174.738 174.900 -0.204 0.000 0.990 230 G CA 0.065 45.073 45.100 -0.154 0.000 0.627 230 G HN 0.901 nan 8.290 nan 0.000 0.522 231 H N -2.349 116.285 119.070 -0.727 0.000 3.275 231 H HA 0.532 5.088 4.556 -0.000 0.000 0.326 231 H C -1.204 173.550 175.328 -0.957 0.000 1.096 231 H CA -1.351 54.384 56.048 -0.522 0.000 1.579 231 H CB -0.352 29.443 29.762 0.055 0.000 1.834 231 H HN 0.340 nan 8.280 nan 0.000 0.510 232 W N 1.595 122.494 121.300 -0.668 0.000 2.719 232 W HA 0.429 5.089 4.660 -0.000 0.000 0.352 232 W C 0.166 175.968 176.519 -1.194 0.000 1.085 232 W CA -0.818 56.099 57.345 -0.714 0.000 1.187 232 W CB 0.952 30.147 29.460 -0.442 0.000 1.417 232 W HN 0.361 nan 8.180 nan 0.000 0.557 233 N N 1.685 120.145 118.700 -0.400 0.000 2.530 233 N HA 0.096 4.836 4.740 -0.000 0.000 0.277 233 N C -1.330 174.023 175.510 -0.262 0.000 1.168 233 N CA 0.037 52.901 53.050 -0.311 0.000 0.979 233 N CB 1.179 39.708 38.487 0.069 0.000 1.141 233 N HN 0.379 nan 8.380 nan 0.000 0.459 234 D N 1.249 121.564 120.400 -0.142 0.000 2.440 234 D HA 0.249 4.889 4.640 -0.000 0.000 0.252 234 D C -2.073 174.176 176.300 -0.085 0.000 1.180 234 D CA -1.853 52.066 54.000 -0.136 0.000 0.894 234 D CB 1.674 42.440 40.800 -0.058 0.000 1.111 234 D HN 0.226 nan 8.370 nan 0.000 0.544 235 P HA 0.125 nan 4.420 nan 0.000 0.253 235 P C -0.303 177.012 177.300 0.026 0.000 1.260 235 P CA 0.136 62.911 63.100 -0.542 0.000 0.800 235 P CB 0.431 31.198 31.700 -1.554 0.000 1.162 236 D N -1.262 119.215 120.400 0.129 0.000 8.377 236 D HA -0.102 4.538 4.640 -0.000 0.000 0.332 236 D C -0.149 176.359 176.300 0.347 0.000 2.717 236 D CA -0.004 54.136 54.000 0.234 0.000 2.017 236 D CB -1.040 39.899 40.800 0.231 0.000 1.168 236 D HN -0.104 nan 8.370 nan 0.000 1.135 237 M N 0.608 120.326 119.600 0.196 0.000 2.252 237 M HA 0.134 4.614 4.480 -0.000 0.000 0.329 237 M C 0.363 176.639 176.300 -0.041 0.000 1.101 237 M CA 0.346 55.696 55.300 0.083 0.000 1.117 237 M CB 0.142 32.749 32.600 0.012 0.000 1.563 237 M HN 0.191 nan 8.290 nan 0.000 0.445 238 L N 4.112 125.245 121.223 -0.151 0.000 2.367 238 L HA 0.194 4.534 4.340 -0.000 0.000 0.275 238 L C 0.866 177.597 176.870 -0.232 0.000 1.129 238 L CA -0.077 54.569 54.840 -0.323 0.000 0.839 238 L CB 0.361 42.274 42.059 -0.243 0.000 1.133 238 L HN 0.769 nan 8.230 nan 0.000 0.453 239 I N 0.391 120.813 120.570 -0.247 0.000 3.927 239 I HA 0.288 4.458 4.170 -0.000 0.000 0.332 239 I C 0.384 176.400 176.117 -0.168 0.000 1.485 239 I CA -0.340 60.851 61.300 -0.181 0.000 1.131 239 I CB 0.162 38.085 38.000 -0.129 0.000 1.092 239 I HN 0.353 nan 8.210 nan 0.000 0.410 240 I N 3.288 123.757 120.570 -0.169 0.000 2.618 240 I HA 0.248 4.418 4.170 -0.000 0.000 0.284 240 I C 1.454 177.502 176.117 -0.115 0.000 1.146 240 I CA 1.317 62.542 61.300 -0.125 0.000 1.425 240 I CB 0.575 38.517 38.000 -0.096 0.000 1.383 240 I HN 0.569 nan 8.210 nan 0.000 0.562 241 G N 3.584 112.317 108.800 -0.112 0.000 2.179 241 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 241 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 241 G C 0.283 175.032 174.900 -0.252 0.000 0.990 241 G CA -0.363 44.660 45.100 -0.128 0.000 0.646 241 G HN 0.555 nan 8.290 nan 0.000 0.517 242 N N -0.617 117.904 118.700 -0.297 0.000 2.786 242 N HA 0.667 5.407 4.740 -0.000 0.000 0.315 242 N C 1.089 176.295 175.510 -0.508 0.000 1.359 242 N CA -0.187 52.537 53.050 -0.543 0.000 0.846 242 N CB -0.238 37.993 38.487 -0.426 0.000 1.117 242 N HN -0.028 nan 8.380 nan 0.000 0.541 243 F N -0.238 119.672 119.950 -0.065 0.000 2.473 243 F HA 0.293 4.820 4.527 0.000 0.000 0.294 243 F C 2.218 178.003 175.800 -0.025 0.000 1.103 243 F CA 0.354 58.327 58.000 -0.046 0.000 1.442 243 F CB -0.545 38.423 39.000 -0.054 0.000 1.097 243 F HN 0.488 nan 8.300 nan 0.000 0.547 244 G N 0.135 109.023 108.800 0.147 0.000 2.744 244 G HA2 0.197 4.157 3.960 -0.000 0.000 0.211 244 G HA3 0.197 4.157 3.960 -0.000 0.000 0.211 244 G C 0.561 175.509 174.900 0.080 0.000 1.146 244 G CA -0.057 45.113 45.100 0.115 0.000 0.787 244 G HN 0.067 nan 8.290 nan 0.000 0.534 245 L N 2.158 123.401 121.223 0.033 0.000 2.307 245 L HA 0.398 4.738 4.340 -0.000 0.000 0.282 245 L C 0.816 177.649 176.870 -0.062 0.000 1.051 245 L CA -0.738 54.093 54.840 -0.015 0.000 0.804 245 L CB 1.776 43.819 42.059 -0.025 0.000 1.197 245 L HN 0.168 nan 8.230 nan 0.000 0.431 246 S N 1.234 116.856 115.700 -0.129 0.000 2.641 246 S HA 0.046 4.516 4.470 -0.000 0.000 0.261 246 S C 0.901 175.452 174.600 -0.083 0.000 1.257 246 S CA -0.301 57.841 58.200 -0.096 0.000 0.983 246 S CB 0.565 63.679 63.200 -0.143 0.000 0.990 246 S HN 0.586 nan 8.310 nan 0.000 0.572 247 Y N 1.100 121.313 120.300 -0.146 0.000 2.114 247 Y HA -0.100 4.450 4.550 -0.000 0.000 0.284 247 Y C 2.398 178.186 175.900 -0.187 0.000 1.143 247 Y CA 2.292 60.305 58.100 -0.145 0.000 1.135 247 Y CB -0.589 37.800 38.460 -0.118 0.000 0.980 247 Y HN 0.714 nan 8.280 nan 0.000 0.499 248 E N 0.372 120.380 120.200 -0.321 0.000 2.085 248 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 248 E C 2.114 178.457 176.600 -0.428 0.000 0.994 248 E CA 1.749 57.899 56.400 -0.417 0.000 0.801 248 E CB -0.363 29.207 29.700 -0.218 0.000 0.743 248 E HN 0.702 nan 8.360 nan 0.000 0.453 249 Q N 0.221 119.724 119.800 -0.495 0.000 2.124 249 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 249 Q C 2.326 178.148 176.000 -0.298 0.000 0.977 249 Q CA 1.363 56.763 55.803 -0.671 0.000 0.850 249 Q CB 0.006 28.191 28.738 -0.922 0.000 0.901 249 Q HN 0.071 nan 8.270 nan 0.000 0.429 250 S N 0.326 115.864 115.700 -0.270 0.000 2.368 250 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 250 S C 1.754 176.230 174.600 -0.207 0.000 1.029 250 S CA 0.902 58.985 58.200 -0.195 0.000 0.988 250 S CB -0.096 63.005 63.200 -0.165 0.000 0.838 250 S HN 0.302 nan 8.310 nan 0.000 0.462 251 R N 0.987 121.271 120.500 -0.360 0.000 2.096 251 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 251 R C 2.549 178.797 176.300 -0.086 0.000 1.127 251 R CA 1.384 57.272 56.100 -0.353 0.000 0.968 251 R CB -0.405 29.378 30.300 -0.862 0.000 0.861 251 R HN 0.275 nan 8.270 nan 0.000 0.440 252 S N 0.906 116.538 115.700 -0.114 0.000 2.356 252 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 252 S C 1.889 176.466 174.600 -0.039 0.000 1.032 252 S CA 1.186 59.359 58.200 -0.045 0.000 1.005 252 S CB -0.160 63.089 63.200 0.081 0.000 0.867 252 S HN 0.387 nan 8.310 nan 0.000 0.449 253 Q N 0.253 120.040 119.800 -0.023 0.000 2.084 253 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 253 Q C 2.166 178.089 176.000 -0.129 0.000 0.978 253 Q CA 1.486 57.191 55.803 -0.163 0.000 0.844 253 Q CB -0.202 28.277 28.738 -0.432 0.000 0.898 253 Q HN 0.432 nan 8.270 nan 0.000 0.426 254 M N 0.316 119.872 119.600 -0.074 0.000 2.080 254 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 254 M C 1.939 178.286 176.300 0.078 0.000 1.068 254 M CA 2.043 57.353 55.300 0.017 0.000 1.109 254 M CB -0.459 32.200 32.600 0.099 0.000 1.342 254 M HN 0.298 nan 8.290 nan 0.000 0.405 255 A N -0.237 122.630 122.820 0.079 0.000 1.877 255 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 255 A C 2.153 179.723 177.584 -0.024 0.000 1.186 255 A CA 1.775 53.826 52.037 0.024 0.000 0.620 255 A CB -1.094 17.937 19.000 0.052 0.000 0.822 255 A HN 0.573 nan 8.150 nan 0.000 0.443 256 L N -2.280 118.920 121.223 -0.039 0.000 2.156 256 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 256 L C 2.626 179.576 176.870 0.135 0.000 1.095 256 L CA 0.784 55.581 54.840 -0.071 0.000 0.770 256 L CB -0.440 41.542 42.059 -0.130 0.000 0.914 256 L HN 0.611 nan 8.230 nan 0.000 0.439 257 W N 0.364 121.580 121.300 -0.140 0.000 2.402 257 W HA -0.162 4.498 4.660 0.000 0.000 0.286 257 W C 2.409 178.848 176.519 -0.134 0.000 1.221 257 W CA 1.088 58.346 57.345 -0.144 0.000 1.257 257 W CB -0.173 29.216 29.460 -0.119 0.000 1.120 257 W HN 0.173 nan 8.180 nan 0.000 0.551 258 T N 0.709 115.327 114.554 0.107 0.000 2.857 258 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 258 T C 1.764 176.457 174.700 -0.011 0.000 1.048 258 T CA 0.842 62.949 62.100 0.011 0.000 1.139 258 T CB -0.172 68.694 68.868 -0.004 0.000 0.874 258 T HN -0.090 nan 8.240 nan 0.000 0.455 259 I N 1.323 121.895 120.570 0.002 0.000 2.286 259 I HA -0.050 4.120 4.170 -0.000 0.000 0.248 259 I C 2.097 178.241 176.117 0.046 0.000 1.115 259 I CA 1.495 62.818 61.300 0.039 0.000 1.392 259 I CB -0.773 37.248 38.000 0.036 0.000 1.065 259 I HN 0.355 nan 8.210 nan 0.000 0.418 260 M N 0.014 119.591 119.600 -0.039 0.000 2.659 260 M HA 0.100 4.579 4.480 -0.000 0.000 0.243 260 M C 1.033 177.236 176.300 -0.160 0.000 1.111 260 M CA 0.461 55.662 55.300 -0.165 0.000 1.070 260 M CB -0.101 32.218 32.600 -0.467 0.000 1.525 260 M HN 0.282 nan 8.290 nan 0.000 0.517 261 A N 0.986 123.731 122.820 -0.125 0.000 2.745 261 A HA -0.089 4.231 4.320 -0.000 0.000 0.296 261 A C 0.471 177.873 177.584 -0.303 0.000 1.500 261 A CA 0.585 52.516 52.037 -0.177 0.000 0.766 261 A CB -2.147 16.854 19.000 0.002 0.000 1.030 261 A HN 0.636 nan 8.150 nan 0.000 0.489 262 A N -0.379 122.261 122.820 -0.300 0.000 2.286 262 A HA 0.752 5.072 4.320 -0.000 0.000 0.286 262 A C -1.930 175.493 177.584 -0.268 0.000 1.097 262 A CA -1.500 50.338 52.037 -0.332 0.000 0.821 262 A CB 0.182 18.895 19.000 -0.477 0.000 1.076 262 A HN 0.355 nan 8.150 nan 0.000 0.490 263 P HA 0.224 nan 4.420 nan 0.000 0.271 263 P C -0.847 176.450 177.300 -0.004 0.000 1.218 263 P CA 0.144 63.136 63.100 -0.179 0.000 0.780 263 P CB 0.380 32.005 31.700 -0.124 0.000 0.901 264 L N 3.356 124.584 121.223 0.008 0.000 2.494 264 L HA 0.312 4.652 4.340 -0.000 0.000 0.251 264 L C -0.293 176.689 176.870 0.186 0.000 1.119 264 L CA -0.121 54.791 54.840 0.121 0.000 1.026 264 L CB -0.334 41.786 42.059 0.102 0.000 1.370 264 L HN 0.205 nan 8.230 nan 0.000 0.426 265 L N 2.850 124.149 121.223 0.125 0.000 2.272 265 L HA 0.438 4.778 4.340 -0.000 0.000 0.284 265 L C 0.167 177.041 176.870 0.007 0.000 1.045 265 L CA -0.214 54.682 54.840 0.093 0.000 0.842 265 L CB 1.075 43.165 42.059 0.051 0.000 1.224 265 L HN 0.513 nan 8.230 nan 0.000 0.430 266 M N 2.024 121.615 119.600 -0.014 0.000 2.228 266 M HA 0.117 4.597 4.480 -0.000 0.000 0.351 266 M C 0.397 176.524 176.300 -0.289 0.000 1.233 266 M CA 0.482 55.707 55.300 -0.126 0.000 1.129 266 M CB 1.069 33.565 32.600 -0.173 0.000 1.604 266 M HN 0.426 nan 8.290 nan 0.000 0.457 267 S N 1.956 117.487 115.700 -0.281 0.000 2.259 267 S HA 0.461 4.931 4.470 -0.000 0.000 0.181 267 S C -0.804 173.661 174.600 -0.226 0.000 1.589 267 S CA -0.400 57.560 58.200 -0.400 0.000 1.234 267 S CB 0.509 63.523 63.200 -0.311 0.000 1.119 267 S HN 0.833 nan 8.310 nan 0.000 0.458 268 T N 1.555 116.105 114.554 -0.007 0.000 2.802 268 T HA 0.319 4.669 4.350 -0.000 0.000 0.311 268 T C -2.107 172.756 174.700 0.272 0.000 1.405 268 T CA -0.531 61.558 62.100 -0.018 0.000 1.016 268 T CB 1.690 70.501 68.868 -0.096 0.000 1.352 268 T HN 0.353 nan 8.240 nan 0.000 0.498 269 D N 2.709 123.184 120.400 0.124 0.000 2.374 269 D HA 0.200 4.840 4.640 -0.000 0.000 0.240 269 D C 1.459 177.804 176.300 0.075 0.000 1.229 269 D CA -0.149 54.007 54.000 0.259 0.000 0.895 269 D CB 0.432 41.367 40.800 0.225 0.000 1.046 269 D HN 0.493 nan 8.370 nan 0.000 0.498 270 L N 3.309 124.524 121.223 -0.013 0.000 2.456 270 L HA -0.047 4.293 4.340 -0.000 0.000 0.224 270 L C 2.194 179.055 176.870 -0.014 0.000 1.148 270 L CA 0.551 55.338 54.840 -0.087 0.000 0.825 270 L CB -0.054 41.825 42.059 -0.299 0.000 0.937 270 L HN 0.226 nan 8.230 nan 0.000 0.450 271 R N -0.527 119.959 120.500 -0.022 0.000 2.200 271 R HA -0.024 4.316 4.340 -0.000 0.000 0.208 271 R C 1.712 178.021 176.300 0.015 0.000 1.033 271 R CA 1.462 57.556 56.100 -0.009 0.000 1.000 271 R CB 0.001 30.282 30.300 -0.032 0.000 0.906 271 R HN 0.387 nan 8.270 nan 0.000 0.462 272 T N -2.624 111.943 114.554 0.021 0.000 3.091 272 T HA 0.267 4.617 4.350 -0.000 0.000 0.277 272 T C 0.602 175.309 174.700 0.012 0.000 0.996 272 T CA -0.471 61.639 62.100 0.017 0.000 0.897 272 T CB 0.088 68.964 68.868 0.014 0.000 1.109 272 T HN 0.045 nan 8.240 nan 0.000 0.534 273 I N 4.166 124.754 120.570 0.029 0.000 2.845 273 I HA 0.116 4.286 4.170 -0.000 0.000 0.296 273 I C 0.746 176.888 176.117 0.042 0.000 1.216 273 I CA -0.036 61.286 61.300 0.038 0.000 1.438 273 I CB 0.668 38.731 38.000 0.105 0.000 1.342 273 I HN 0.504 nan 8.210 nan 0.000 0.577 274 S N 6.885 122.599 115.700 0.023 0.000 2.603 274 S HA 0.318 4.788 4.470 -0.000 0.000 0.268 274 S C -1.796 172.824 174.600 0.032 0.000 1.317 274 S CA -0.972 57.239 58.200 0.017 0.000 1.012 274 S CB 1.188 64.390 63.200 0.002 0.000 0.926 274 S HN 0.529 nan 8.310 nan 0.000 0.539 275 P HA -0.119 nan 4.420 nan 0.000 0.215 275 P C 1.908 179.222 177.300 0.024 0.000 1.153 275 P CA 1.786 64.890 63.100 0.008 0.000 0.853 275 P CB -0.195 31.498 31.700 -0.012 0.000 0.788 276 S N -0.474 115.240 115.700 0.023 0.000 2.382 276 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 276 S C 2.118 176.791 174.600 0.122 0.000 1.027 276 S CA 1.251 59.491 58.200 0.066 0.000 0.991 276 S CB -1.487 61.726 63.200 0.023 0.000 0.823 276 S HN 0.109 nan 8.310 nan 0.000 0.469 277 A N 2.338 125.214 122.820 0.094 0.000 1.898 277 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 277 A C 2.236 179.903 177.584 0.139 0.000 1.181 277 A CA 1.630 53.724 52.037 0.095 0.000 0.620 277 A CB -0.713 18.319 19.000 0.054 0.000 0.819 277 A HN 0.614 nan 8.150 nan 0.000 0.442 278 K N 0.054 120.538 120.400 0.140 0.000 2.057 278 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 278 K C 2.140 178.771 176.600 0.051 0.000 1.049 278 K CA 1.833 58.209 56.287 0.148 0.000 0.931 278 K CB -0.208 32.321 32.500 0.047 0.000 0.714 278 K HN 0.413 nan 8.250 nan 0.000 0.440 279 K N 0.658 121.088 120.400 0.051 0.000 2.147 279 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 279 K C 1.987 178.663 176.600 0.127 0.000 1.049 279 K CA 1.366 57.688 56.287 0.059 0.000 0.936 279 K CB -0.048 32.497 32.500 0.076 0.000 0.722 279 K HN 0.208 nan 8.250 nan 0.000 0.446 280 I N 0.775 121.442 120.570 0.162 0.000 2.193 280 I HA -0.266 3.903 4.170 -0.000 0.000 0.240 280 I C 2.062 178.307 176.117 0.214 0.000 1.084 280 I CA 1.001 62.431 61.300 0.216 0.000 1.365 280 I CB -0.139 37.941 38.000 0.134 0.000 1.064 280 I HN 0.138 nan 8.210 nan 0.000 0.410 281 L N 0.024 121.381 121.223 0.222 0.000 2.275 281 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 281 L C 1.962 179.060 176.870 0.380 0.000 1.119 281 L CA 1.072 56.105 54.840 0.321 0.000 0.790 281 L CB -0.351 41.954 42.059 0.410 0.000 0.919 281 L HN 0.340 nan 8.230 nan 0.000 0.443 282 Q N -0.705 119.205 119.800 0.183 0.000 2.247 282 Q HA 0.065 4.404 4.340 -0.000 0.000 0.204 282 Q C 0.252 176.291 176.000 0.065 0.000 0.872 282 Q CA -0.313 55.541 55.803 0.085 0.000 0.951 282 Q CB 0.132 28.754 28.738 -0.192 0.000 1.099 282 Q HN 0.297 nan 8.270 nan 0.000 0.501 283 N N 2.055 120.806 118.700 0.084 0.000 2.418 283 N HA -0.056 4.684 4.740 -0.000 0.000 0.277 283 N C 0.634 176.138 175.510 -0.010 0.000 1.317 283 N CA 0.378 53.445 53.050 0.029 0.000 0.922 283 N CB 0.494 38.987 38.487 0.010 0.000 1.194 283 N HN 0.240 nan 8.380 nan 0.000 0.485 284 R N 2.363 122.846 120.500 -0.029 0.000 2.091 284 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 284 R C 1.765 178.008 176.300 -0.096 0.000 1.136 284 R CA 1.032 57.101 56.100 -0.052 0.000 0.959 284 R CB -0.213 30.057 30.300 -0.050 0.000 0.856 284 R HN 0.458 nan 8.270 nan 0.000 0.437 285 L N 0.703 121.854 121.223 -0.121 0.000 2.056 285 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 285 L C 2.318 179.069 176.870 -0.199 0.000 1.078 285 L CA 1.609 56.333 54.840 -0.195 0.000 0.749 285 L CB -0.417 41.524 42.059 -0.198 0.000 0.901 285 L HN 0.094 nan 8.230 nan 0.000 0.433 286 M N -0.473 119.028 119.600 -0.165 0.000 2.080 286 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 286 M C 2.090 178.324 176.300 -0.110 0.000 1.068 286 M CA 1.954 57.163 55.300 -0.152 0.000 1.109 286 M CB -0.470 32.036 32.600 -0.157 0.000 1.342 286 M HN 0.295 nan 8.290 nan 0.000 0.405 287 I N -0.622 119.894 120.570 -0.090 0.000 2.226 287 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 287 I C 2.584 178.629 176.117 -0.119 0.000 1.100 287 I CA 1.557 62.798 61.300 -0.098 0.000 1.374 287 I CB -0.695 37.249 38.000 -0.092 0.000 1.057 287 I HN 0.512 nan 8.210 nan 0.000 0.413 288 Q N 1.402 121.124 119.800 -0.130 0.000 2.096 288 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 288 Q C 2.345 178.269 176.000 -0.126 0.000 0.982 288 Q CA 1.858 57.579 55.803 -0.136 0.000 0.850 288 Q CB -0.048 28.581 28.738 -0.181 0.000 0.901 288 Q HN 0.534 nan 8.270 nan 0.000 0.422 289 I N 1.238 121.722 120.570 -0.142 0.000 2.252 289 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 289 I C 2.574 178.652 176.117 -0.064 0.000 1.102 289 I CA 1.067 62.317 61.300 -0.083 0.000 1.385 289 I CB -0.613 37.347 38.000 -0.066 0.000 1.064 289 I HN 0.379 nan 8.210 nan 0.000 0.414 290 N N 1.042 119.687 118.700 -0.091 0.000 2.120 290 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 290 N C 1.545 176.956 175.510 -0.165 0.000 1.024 290 N CA 1.291 54.269 53.050 -0.119 0.000 0.852 290 N CB 0.081 38.497 38.487 -0.118 0.000 1.003 290 N HN 0.360 nan 8.380 nan 0.000 0.424 291 Q N 1.086 120.801 119.800 -0.141 0.000 2.373 291 Q HA 0.015 4.355 4.340 -0.000 0.000 0.206 291 Q C -0.563 175.400 176.000 -0.062 0.000 0.942 291 Q CA -0.059 55.665 55.803 -0.132 0.000 0.953 291 Q CB -0.724 27.945 28.738 -0.116 0.000 1.022 291 Q HN 0.393 nan 8.270 nan 0.000 0.502 292 D N 2.250 122.628 120.400 -0.036 0.000 2.586 292 D HA -0.084 4.556 4.640 -0.000 0.000 0.234 292 D C -1.110 175.225 176.300 0.058 0.000 1.132 292 D CA -0.760 53.251 54.000 0.019 0.000 0.860 292 D CB 1.010 41.836 40.800 0.044 0.000 1.159 292 D HN -0.005 nan 8.370 nan 0.000 0.490 293 P HA -0.185 nan 4.420 nan 0.000 0.217 293 P C 1.451 178.809 177.300 0.097 0.000 1.148 293 P CA 1.066 64.214 63.100 0.080 0.000 0.828 293 P CB 0.130 31.865 31.700 0.059 0.000 0.783 294 L N -1.438 119.838 121.223 0.089 0.000 2.217 294 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 294 L C 1.713 178.643 176.870 0.100 0.000 1.107 294 L CA 1.041 55.928 54.840 0.078 0.000 0.783 294 L CB -1.445 40.653 42.059 0.065 0.000 0.919 294 L HN 0.106 nan 8.230 nan 0.000 0.442 295 G N 1.360 110.268 108.800 0.180 0.000 2.273 295 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.280 295 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.280 295 G C 0.115 175.127 174.900 0.187 0.000 1.047 295 G CA -0.017 45.278 45.100 0.324 0.000 0.869 295 G HN 0.347 nan 8.290 nan 0.000 0.502 296 I N 0.671 121.314 120.570 0.122 0.000 2.291 296 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 296 I C 0.938 177.107 176.117 0.087 0.000 1.050 296 I CA -0.478 60.866 61.300 0.073 0.000 1.245 296 I CB 1.203 39.230 38.000 0.044 0.000 1.405 296 I HN 0.316 nan 8.210 nan 0.000 0.478 297 Q N 4.417 124.269 119.800 0.087 0.000 2.361 297 Q HA 0.224 4.564 4.340 -0.000 0.000 0.276 297 Q C 0.455 176.499 176.000 0.072 0.000 1.022 297 Q CA -0.044 55.804 55.803 0.075 0.000 0.898 297 Q CB 1.081 29.853 28.738 0.056 0.000 1.246 297 Q HN 0.797 nan 8.270 nan 0.000 0.410 298 G N 3.170 112.029 108.800 0.099 0.000 2.563 298 G HA2 0.495 4.455 3.960 -0.000 0.000 0.283 298 G HA3 0.495 4.455 3.960 -0.000 0.000 0.283 298 G C -0.771 174.269 174.900 0.233 0.000 1.309 298 G CA -0.522 44.663 45.100 0.142 0.000 1.022 298 G HN 0.694 nan 8.290 nan 0.000 0.501 299 R N -1.532 119.123 120.500 0.259 0.000 2.799 299 R HA 0.409 4.749 4.340 -0.000 0.000 0.270 299 R C -0.653 175.763 176.300 0.195 0.000 1.010 299 R CA -0.990 55.304 56.100 0.323 0.000 0.916 299 R CB 2.160 32.548 30.300 0.147 0.000 1.228 299 R HN 0.552 nan 8.270 nan 0.000 0.469 300 R N 1.918 122.451 120.500 0.055 0.000 2.308 300 R HA 0.222 4.562 4.340 -0.000 0.000 0.305 300 R C 0.829 176.955 176.300 -0.290 0.000 1.053 300 R CA 0.003 55.793 56.100 -0.517 0.000 0.957 300 R CB 0.495 30.383 30.300 -0.687 0.000 1.022 300 R HN 0.758 nan 8.270 nan 0.000 0.461 301 I N 1.393 121.763 120.570 -0.332 0.000 4.187 301 I HA 0.352 4.522 4.170 -0.000 0.000 0.326 301 I C -0.148 175.874 176.117 -0.159 0.000 1.302 301 I CA -0.171 61.027 61.300 -0.171 0.000 1.196 301 I CB 0.550 38.492 38.000 -0.097 0.000 1.095 301 I HN 0.335 nan 8.210 nan 0.000 0.411 302 I N 1.265 121.689 120.570 -0.243 0.000 2.752 302 I HA 0.408 4.578 4.170 -0.000 0.000 0.295 302 I C -1.051 174.940 176.117 -0.211 0.000 1.219 302 I CA -0.627 60.578 61.300 -0.160 0.000 1.030 302 I CB 2.637 40.599 38.000 -0.063 0.000 1.259 302 I HN -0.038 nan 8.210 nan 0.000 0.423 303 K N 5.113 125.439 120.400 -0.123 0.000 2.626 303 K HA 0.322 4.642 4.320 -0.000 0.000 0.223 303 K C -0.984 175.585 176.600 -0.051 0.000 0.992 303 K CA -0.695 55.531 56.287 -0.102 0.000 1.024 303 K CB 1.540 33.993 32.500 -0.078 0.000 1.225 303 K HN 0.434 nan 8.250 nan 0.000 0.498 304 E N 0.164 120.338 120.200 -0.043 0.000 2.374 304 E HA 0.046 4.396 4.350 -0.000 0.000 0.260 304 E C 1.173 177.760 176.600 -0.022 0.000 1.101 304 E CA -0.048 56.352 56.400 0.000 0.000 0.907 304 E CB 1.033 30.762 29.700 0.048 0.000 1.014 304 E HN 0.762 nan 8.360 nan 0.000 0.427 305 G N 0.475 109.267 108.800 -0.012 0.000 2.744 305 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.211 305 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.211 305 G C 1.178 176.036 174.900 -0.069 0.000 1.143 305 G CA 0.616 45.690 45.100 -0.044 0.000 0.788 305 G HN 0.424 nan 8.290 nan 0.000 0.534 306 S N -1.185 114.478 115.700 -0.063 0.000 2.603 306 S HA 0.064 4.534 4.470 -0.000 0.000 0.220 306 S C 0.896 175.365 174.600 -0.219 0.000 0.967 306 S CA 0.575 58.670 58.200 -0.174 0.000 0.920 306 S CB -0.537 62.541 63.200 -0.204 0.000 0.773 306 S HN 0.645 nan 8.310 nan 0.000 0.529 307 H N -0.415 118.512 119.070 -0.239 0.000 2.969 307 H HA -0.097 4.459 4.556 -0.000 0.000 0.269 307 H C -0.935 174.214 175.328 -0.299 0.000 1.230 307 H CA 0.256 56.160 56.048 -0.239 0.000 1.123 307 H CB -1.104 28.521 29.762 -0.229 0.000 1.289 307 H HN 0.347 nan 8.280 nan 0.000 0.364 308 I N 1.919 122.373 120.570 -0.194 0.000 2.412 308 I HA 0.254 4.424 4.170 -0.000 0.000 0.296 308 I C 0.483 176.477 176.117 -0.206 0.000 0.987 308 I CA 0.052 61.193 61.300 -0.266 0.000 1.180 308 I CB 1.600 39.369 38.000 -0.386 0.000 1.340 308 I HN 0.211 nan 8.210 nan 0.000 0.455 309 E N 4.501 124.618 120.200 -0.138 0.000 2.238 309 E HA 0.641 4.991 4.350 -0.000 0.000 0.267 309 E C -1.282 175.198 176.600 -0.200 0.000 0.887 309 E CA -0.761 55.536 56.400 -0.172 0.000 0.769 309 E CB 3.099 32.768 29.700 -0.052 0.000 1.187 309 E HN 0.241 nan 8.360 nan 0.000 0.416 310 V N 3.054 122.701 119.914 -0.446 0.000 2.604 310 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 310 V C -0.913 174.788 176.094 -0.656 0.000 1.043 310 V CA -0.760 61.322 62.300 -0.364 0.000 0.888 310 V CB 0.836 32.555 31.823 -0.174 0.000 0.995 310 V HN 0.531 nan 8.190 nan 0.000 0.429 311 F N 4.233 124.030 119.950 -0.256 0.000 2.546 311 F HA 0.818 5.345 4.527 -0.000 0.000 0.320 311 F C -0.417 175.287 175.800 -0.160 0.000 1.076 311 F CA -0.876 56.987 58.000 -0.228 0.000 0.928 311 F CB 2.070 40.901 39.000 -0.280 0.000 1.189 311 F HN 0.355 nan 8.300 nan 0.000 0.465 312 L N 2.785 124.059 121.223 0.085 0.000 2.431 312 L HA 0.658 4.998 4.340 -0.000 0.000 0.266 312 L C -1.229 175.692 176.870 0.085 0.000 0.978 312 L CA -0.523 54.356 54.840 0.065 0.000 0.822 312 L CB 2.028 44.101 42.059 0.023 0.000 1.310 312 L HN 0.721 nan 8.230 nan 0.000 0.409 313 R N 5.923 126.475 120.500 0.086 0.000 2.502 313 R HA 0.601 4.941 4.340 -0.000 0.000 0.300 313 R C -2.819 173.526 176.300 0.075 0.000 0.984 313 R CA -1.728 54.422 56.100 0.083 0.000 0.882 313 R CB 2.113 32.468 30.300 0.091 0.000 1.180 313 R HN 0.458 nan 8.270 nan 0.000 0.444 314 P HA 0.180 nan 4.420 nan 0.000 0.276 314 P C -0.875 176.469 177.300 0.072 0.000 1.230 314 P CA -0.122 63.004 63.100 0.044 0.000 0.776 314 P CB 1.349 33.057 31.700 0.012 0.000 0.888 315 L N 1.144 122.422 121.223 0.091 0.000 2.230 315 L HA 0.493 4.833 4.340 -0.000 0.000 0.255 315 L C 1.057 177.986 176.870 0.099 0.000 1.039 315 L CA -1.063 53.844 54.840 0.111 0.000 0.846 315 L CB 1.416 43.581 42.059 0.176 0.000 1.419 315 L HN 0.354 nan 8.230 nan 0.000 0.435 316 S N -1.111 114.652 115.700 0.104 0.000 2.608 316 S HA 0.195 4.665 4.470 -0.000 0.000 0.261 316 S C 0.085 174.744 174.600 0.098 0.000 1.314 316 S CA -0.325 57.928 58.200 0.087 0.000 0.992 316 S CB 0.951 64.198 63.200 0.079 0.000 0.935 316 S HN 0.697 nan 8.310 nan 0.000 0.564 317 Q N -0.441 119.404 119.800 0.076 0.000 2.494 317 Q HA -0.255 4.085 4.340 -0.000 0.000 0.266 317 Q C 0.779 176.817 176.000 0.063 0.000 1.053 317 Q CA 0.546 56.391 55.803 0.070 0.000 1.029 317 Q CB -2.618 26.175 28.738 0.092 0.000 1.423 317 Q HN 1.973 nan 8.270 nan 0.000 0.516 318 A N -2.623 120.235 122.820 0.064 0.000 2.816 318 A HA -0.135 4.185 4.320 -0.000 0.000 0.270 318 A C 0.682 178.321 177.584 0.093 0.000 1.413 318 A CA 1.510 53.588 52.037 0.068 0.000 0.866 318 A CB -1.830 17.202 19.000 0.053 0.000 1.032 318 A HN 1.338 nan 8.150 nan 0.000 0.642 319 A N -0.816 122.055 122.820 0.085 0.000 2.242 319 A HA 0.882 5.202 4.320 -0.000 0.000 0.304 319 A C 0.577 178.219 177.584 0.098 0.000 1.100 319 A CA 0.463 52.531 52.037 0.052 0.000 0.860 319 A CB 0.728 19.721 19.000 -0.012 0.000 1.168 319 A HN 1.486 nan 8.150 nan 0.000 0.503 320 S N -1.773 113.976 115.700 0.082 0.000 2.607 320 S HA 0.755 5.225 4.470 -0.000 0.000 0.273 320 S C -0.770 173.938 174.600 0.180 0.000 1.148 320 S CA 0.021 58.311 58.200 0.149 0.000 0.833 320 S CB 1.873 65.209 63.200 0.227 0.000 1.130 320 S HN 1.643 nan 8.310 nan 0.000 0.470 321 A N 1.515 124.452 122.820 0.195 0.000 2.371 321 A HA 0.872 5.192 4.320 -0.000 0.000 0.311 321 A C -1.396 176.276 177.584 0.146 0.000 1.068 321 A CA -0.532 51.627 52.037 0.205 0.000 0.744 321 A CB 0.715 19.822 19.000 0.179 0.000 1.239 321 A HN 0.707 nan 8.150 nan 0.000 0.435 322 L N 2.099 123.391 121.223 0.115 0.000 2.381 322 L HA 0.680 5.020 4.340 -0.000 0.000 0.268 322 L C -1.049 175.696 176.870 -0.207 0.000 0.997 322 L CA -0.956 53.834 54.840 -0.085 0.000 0.818 322 L CB 2.322 44.264 42.059 -0.195 0.000 1.310 322 L HN 0.454 nan 8.230 nan 0.000 0.416 323 V N 2.783 122.534 119.914 -0.271 0.000 2.531 323 V HA 0.442 4.562 4.120 -0.000 0.000 0.301 323 V C -0.945 175.009 176.094 -0.233 0.000 1.034 323 V CA -0.452 61.751 62.300 -0.161 0.000 0.865 323 V CB 1.812 33.608 31.823 -0.044 0.000 0.995 323 V HN 0.367 nan 8.190 nan 0.000 0.424 324 F N 5.169 125.184 119.950 0.108 0.000 2.388 324 F HA 0.533 5.060 4.527 -0.000 0.000 0.358 324 F C -0.291 175.633 175.800 0.205 0.000 1.122 324 F CA -0.575 57.466 58.000 0.068 0.000 1.056 324 F CB 1.194 40.175 39.000 -0.032 0.000 1.155 324 F HN 0.414 nan 8.300 nan 0.000 0.461 325 F N 2.798 122.855 119.950 0.178 0.000 2.467 325 F HA 0.529 5.056 4.527 -0.000 0.000 0.336 325 F C -0.212 175.630 175.800 0.070 0.000 1.123 325 F CA -0.662 57.433 58.000 0.158 0.000 0.964 325 F CB 1.110 40.273 39.000 0.271 0.000 1.136 325 F HN 0.380 nan 8.300 nan 0.000 0.447 326 S N 5.715 121.372 115.700 -0.072 0.000 2.429 326 S HA 0.434 4.904 4.470 -0.000 0.000 0.302 326 S C 0.260 174.512 174.600 -0.580 0.000 1.115 326 S CA -0.679 57.339 58.200 -0.302 0.000 1.095 326 S CB 0.912 64.059 63.200 -0.088 0.000 0.987 326 S HN 0.902 nan 8.310 nan 0.000 0.474 327 R N 2.825 122.891 120.500 -0.723 0.000 2.468 327 R HA 0.234 4.574 4.340 -0.000 0.000 0.280 327 R C 0.285 176.190 176.300 -0.659 0.000 0.963 327 R CA -0.212 55.419 56.100 -0.781 0.000 1.083 327 R CB 0.418 30.085 30.300 -1.055 0.000 1.200 327 R HN 0.486 nan 8.270 nan 0.000 0.541 328 R N 0.546 120.822 120.500 -0.373 0.000 2.615 328 R HA 0.081 4.421 4.340 -0.000 0.000 0.270 328 R C 0.786 177.053 176.300 -0.055 0.000 1.081 328 R CA 0.442 56.467 56.100 -0.124 0.000 1.154 328 R CB 0.576 30.806 30.300 -0.116 0.000 1.063 328 R HN 0.039 nan 8.270 nan 0.000 0.519 329 T N -3.356 111.206 114.554 0.013 0.000 3.252 329 T HA 0.043 4.393 4.350 -0.000 0.000 0.286 329 T C 0.341 175.059 174.700 0.029 0.000 1.013 329 T CA -0.362 61.752 62.100 0.022 0.000 0.914 329 T CB 0.004 68.900 68.868 0.046 0.000 1.131 329 T HN 0.651 nan 8.240 nan 0.000 0.529 330 D N 1.964 122.384 120.400 0.034 0.000 2.566 330 D HA 0.225 4.865 4.640 -0.000 0.000 0.253 330 D C 0.881 177.211 176.300 0.051 0.000 0.992 330 D CA 0.406 54.433 54.000 0.045 0.000 0.940 330 D CB 0.091 40.924 40.800 0.056 0.000 1.095 330 D HN 0.654 nan 8.370 nan 0.000 0.480 331 M N -2.937 116.705 119.600 0.069 0.000 3.069 331 M HA 0.485 4.965 4.480 -0.000 0.000 0.274 331 M C -3.118 173.247 176.300 0.109 0.000 1.146 331 M CA -1.607 53.738 55.300 0.075 0.000 0.807 331 M CB 1.687 34.331 32.600 0.075 0.000 1.621 331 M HN -0.432 nan 8.290 nan 0.000 0.521 332 P HA 0.195 nan 4.420 nan 0.000 0.265 332 P C -1.698 175.711 177.300 0.182 0.000 1.187 332 P CA 0.435 63.605 63.100 0.117 0.000 0.766 332 P CB 0.087 31.832 31.700 0.075 0.000 0.820 333 F N 3.034 123.004 119.950 0.034 0.000 2.520 333 F HA 0.445 4.972 4.527 -0.000 0.000 0.322 333 F C 0.218 176.051 175.800 0.055 0.000 1.103 333 F CA -0.976 57.049 58.000 0.042 0.000 0.926 333 F CB 1.578 40.604 39.000 0.044 0.000 1.154 333 F HN 0.076 nan 8.300 nan 0.000 0.453 334 R N 5.123 125.204 120.500 -0.699 0.000 2.205 334 R HA 0.148 4.488 4.340 -0.000 0.000 0.342 334 R C -1.707 174.244 176.300 -0.582 0.000 1.058 334 R CA -0.613 55.203 56.100 -0.474 0.000 0.904 334 R CB 0.649 30.729 30.300 -0.366 0.000 1.089 334 R HN 0.607 nan 8.270 nan 0.000 0.471 335 Y N 2.479 122.611 120.300 -0.280 0.000 2.353 335 Y HA 0.222 4.772 4.550 -0.000 0.000 0.340 335 Y C -0.585 175.182 175.900 -0.221 0.000 0.972 335 Y CA -0.302 57.732 58.100 -0.111 0.000 1.157 335 Y CB 1.371 39.863 38.460 0.055 0.000 1.157 335 Y HN 0.384 nan 8.280 nan 0.000 0.495 336 T N 5.335 119.502 114.554 -0.644 0.000 2.797 336 T HA 0.582 4.932 4.350 -0.000 0.000 0.279 336 T C -0.426 173.765 174.700 -0.848 0.000 0.991 336 T CA -0.421 61.295 62.100 -0.640 0.000 0.979 336 T CB 1.553 70.193 68.868 -0.381 0.000 0.943 336 T HN 0.766 nan 8.240 nan 0.000 0.444 337 T N 0.951 114.918 114.554 -0.978 0.000 2.649 337 T HA 0.694 5.044 4.350 -0.000 0.000 0.305 337 T C -1.625 172.533 174.700 -0.904 0.000 1.409 337 T CA -0.392 61.221 62.100 -0.811 0.000 1.021 337 T CB 0.977 69.419 68.868 -0.709 0.000 1.726 337 T HN 0.787 nan 8.240 nan 0.000 0.475 338 S N -0.085 115.333 115.700 -0.470 0.000 2.588 338 S HA 0.568 5.038 4.470 -0.000 0.000 0.275 338 S C 0.982 175.670 174.600 0.147 0.000 1.130 338 S CA -0.888 57.233 58.200 -0.133 0.000 0.855 338 S CB 1.054 64.236 63.200 -0.030 0.000 1.116 338 S HN 0.665 nan 8.310 nan 0.000 0.472 339 L N 1.155 122.557 121.223 0.298 0.000 2.131 339 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 339 L C 3.004 180.011 176.870 0.228 0.000 1.092 339 L CA 1.712 56.624 54.840 0.121 0.000 0.759 339 L CB -1.008 40.896 42.059 -0.258 0.000 0.903 339 L HN 0.957 nan 8.230 nan 0.000 0.435 340 A N -0.015 122.915 122.820 0.182 0.000 1.883 340 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 340 A C 2.320 179.992 177.584 0.147 0.000 1.186 340 A CA 1.479 53.619 52.037 0.172 0.000 0.624 340 A CB -0.304 18.766 19.000 0.117 0.000 0.822 340 A HN 0.208 nan 8.150 nan 0.000 0.444 341 K N -0.238 120.223 120.400 0.102 0.000 2.209 341 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 341 K C 1.649 178.321 176.600 0.119 0.000 1.048 341 K CA 0.864 57.193 56.287 0.070 0.000 0.940 341 K CB -0.433 32.067 32.500 -0.001 0.000 0.729 341 K HN 0.560 nan 8.250 nan 0.000 0.451 342 L N -0.521 120.824 121.223 0.203 0.000 2.492 342 L HA 0.020 4.360 4.340 -0.000 0.000 0.223 342 L C 1.220 178.240 176.870 0.251 0.000 1.132 342 L CA 0.679 55.679 54.840 0.267 0.000 0.850 342 L CB -0.130 42.171 42.059 0.404 0.000 0.966 342 L HN 0.402 nan 8.230 nan 0.000 0.454 343 G N -0.926 108.016 108.800 0.237 0.000 2.184 343 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.206 343 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.206 343 G C 0.170 175.131 174.900 0.102 0.000 0.995 343 G CA -0.660 44.513 45.100 0.123 0.000 0.651 343 G HN 0.124 nan 8.290 nan 0.000 0.511 344 F N 1.544 121.525 119.950 0.053 0.000 2.485 344 F HA 0.461 4.988 4.527 -0.000 0.000 0.327 344 F C -1.029 174.833 175.800 0.103 0.000 1.203 344 F CA -1.451 56.587 58.000 0.064 0.000 1.295 344 F CB 0.256 39.264 39.000 0.014 0.000 1.191 344 F HN -0.110 nan 8.300 nan 0.000 0.588 345 P HA -0.031 nan 4.420 nan 0.000 0.267 345 P C -0.470 176.961 177.300 0.218 0.000 1.200 345 P CA 0.039 63.268 63.100 0.215 0.000 0.772 345 P CB 0.348 32.174 31.700 0.211 0.000 0.855 346 M N 1.228 120.913 119.600 0.142 0.000 2.241 346 M HA 0.225 4.705 4.480 -0.000 0.000 0.335 346 M C 1.571 177.933 176.300 0.103 0.000 1.122 346 M CA 0.039 55.410 55.300 0.118 0.000 1.164 346 M CB -0.724 31.925 32.600 0.081 0.000 1.459 346 M HN 0.741 nan 8.290 nan 0.000 0.461 347 G N 1.466 110.320 108.800 0.091 0.000 2.321 347 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.287 347 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.287 347 G C 0.171 175.105 174.900 0.057 0.000 1.018 347 G CA 0.591 45.730 45.100 0.065 0.000 0.855 347 G HN 1.131 nan 8.290 nan 0.000 0.507 348 A N -1.072 121.804 122.820 0.093 0.000 2.309 348 A HA 1.109 5.429 4.320 -0.000 0.000 0.317 348 A C 0.291 177.887 177.584 0.021 0.000 1.134 348 A CA 0.246 52.301 52.037 0.031 0.000 0.866 348 A CB 1.744 20.780 19.000 0.060 0.000 1.329 348 A HN 2.122 nan 8.150 nan 0.000 0.477 349 A N -0.647 122.077 122.820 -0.160 0.000 2.486 349 A HA 0.734 5.054 4.320 -0.000 0.000 0.300 349 A C -1.665 175.718 177.584 -0.336 0.000 1.048 349 A CA -0.331 51.648 52.037 -0.097 0.000 0.696 349 A CB 0.839 19.797 19.000 -0.070 0.000 1.278 349 A HN 0.782 nan 8.150 nan 0.000 0.405 350 Y N 0.026 120.283 120.300 -0.072 0.000 2.499 350 Y HA 0.528 5.078 4.550 -0.000 0.000 0.347 350 Y C 0.232 176.041 175.900 -0.151 0.000 0.987 350 Y CA -0.514 57.521 58.100 -0.108 0.000 1.044 350 Y CB 2.126 40.502 38.460 -0.140 0.000 1.245 350 Y HN 0.773 nan 8.280 nan 0.000 0.461 351 E N 2.157 122.346 120.200 -0.018 0.000 2.167 351 E HA 0.544 4.894 4.350 -0.000 0.000 0.284 351 E C -1.656 174.860 176.600 -0.140 0.000 1.016 351 E CA -0.458 55.891 56.400 -0.084 0.000 0.817 351 E CB 0.941 30.598 29.700 -0.072 0.000 1.080 351 E HN 0.444 nan 8.360 nan 0.000 0.397 352 V N 4.772 124.538 119.914 -0.248 0.000 2.555 352 V HA 0.300 4.420 4.120 -0.000 0.000 0.302 352 V C -0.365 175.520 176.094 -0.348 0.000 1.038 352 V CA -0.705 61.352 62.300 -0.405 0.000 0.887 352 V CB 1.621 32.940 31.823 -0.839 0.000 0.991 352 V HN 0.728 nan 8.190 nan 0.000 0.434 353 Q N 2.516 122.184 119.800 -0.219 0.000 2.340 353 Q HA 0.306 4.646 4.340 -0.000 0.000 0.268 353 Q C -1.153 174.815 176.000 -0.053 0.000 1.031 353 Q CA -0.668 55.078 55.803 -0.096 0.000 0.804 353 Q CB 1.925 30.700 28.738 0.062 0.000 1.286 353 Q HN 0.823 nan 8.270 nan 0.000 0.448 354 D N 3.667 124.053 120.400 -0.023 0.000 2.339 354 D HA 0.028 4.668 4.640 -0.000 0.000 0.256 354 D C 0.888 177.272 176.300 0.140 0.000 1.214 354 D CA 0.066 54.166 54.000 0.167 0.000 0.877 354 D CB 1.543 42.466 40.800 0.204 0.000 1.111 354 D HN 0.472 nan 8.370 nan 0.000 0.478 355 V N 4.937 124.929 119.914 0.130 0.000 2.392 355 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 355 V C 1.517 177.555 176.094 -0.093 0.000 1.059 355 V CA 1.511 63.787 62.300 -0.039 0.000 1.051 355 V CB -0.723 31.003 31.823 -0.162 0.000 0.658 355 V HN 0.620 nan 8.190 nan 0.000 0.455 356 Y N 0.435 120.802 120.300 0.111 0.000 2.347 356 Y HA -0.040 4.510 4.550 -0.000 0.000 0.294 356 Y C 2.763 178.717 175.900 0.089 0.000 1.117 356 Y CA 1.088 59.242 58.100 0.089 0.000 1.184 356 Y CB -0.380 38.133 38.460 0.087 0.000 1.047 356 Y HN 0.381 nan 8.280 nan 0.000 0.546 357 S N -1.838 114.014 115.700 0.253 0.000 2.470 357 S HA 0.264 4.734 4.470 -0.000 0.000 0.222 357 S C 1.990 176.656 174.600 0.110 0.000 1.024 357 S CA 0.657 58.959 58.200 0.170 0.000 0.931 357 S CB -0.008 63.287 63.200 0.158 0.000 0.791 357 S HN 0.555 nan 8.310 nan 0.000 0.513 358 G N 1.399 110.255 108.800 0.093 0.000 2.225 358 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 358 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 358 G C 0.015 174.932 174.900 0.030 0.000 0.988 358 G CA 0.222 45.352 45.100 0.051 0.000 0.625 358 G HN 0.601 nan 8.290 nan 0.000 0.527 359 K N 0.361 120.783 120.400 0.037 0.000 2.436 359 K HA 0.469 4.789 4.320 -0.000 0.000 0.275 359 K C 0.343 176.916 176.600 -0.045 0.000 0.999 359 K CA 0.349 56.640 56.287 0.007 0.000 0.980 359 K CB 0.736 33.252 32.500 0.026 0.000 0.919 359 K HN 0.349 nan 8.250 nan 0.000 0.484 360 I N 3.503 124.035 120.570 -0.063 0.000 2.603 360 I HA 0.340 4.510 4.170 -0.000 0.000 0.300 360 I C -0.227 175.808 176.117 -0.136 0.000 1.017 360 I CA -0.924 60.311 61.300 -0.109 0.000 1.098 360 I CB 1.703 39.662 38.000 -0.069 0.000 1.279 360 I HN 0.395 nan 8.210 nan 0.000 0.437 361 I N 4.185 124.630 120.570 -0.209 0.000 2.390 361 I HA 0.189 4.359 4.170 -0.000 0.000 0.283 361 I C 1.077 177.098 176.117 -0.159 0.000 1.016 361 I CA -0.055 61.122 61.300 -0.204 0.000 1.151 361 I CB 1.695 39.494 38.000 -0.335 0.000 1.293 361 I HN 0.625 nan 8.210 nan 0.000 0.458 362 S N 4.333 119.973 115.700 -0.101 0.000 2.369 362 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 362 S C 1.154 175.712 174.600 -0.070 0.000 1.043 362 S CA 1.656 59.812 58.200 -0.074 0.000 1.074 362 S CB -0.099 63.071 63.200 -0.051 0.000 0.962 362 S HN 0.871 nan 8.310 nan 0.000 0.433 363 G N 0.900 109.663 108.800 -0.062 0.000 3.446 363 G HA2 0.494 4.454 3.960 -0.000 0.000 0.314 363 G HA3 0.494 4.454 3.960 -0.000 0.000 0.314 363 G C -1.049 173.835 174.900 -0.026 0.000 1.539 363 G CA -0.601 44.472 45.100 -0.045 0.000 0.848 363 G HN 0.245 nan 8.290 nan 0.000 0.488 364 L N 1.515 122.721 121.223 -0.029 0.000 2.361 364 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 364 L C 0.417 177.335 176.870 0.081 0.000 1.113 364 L CA -0.368 54.471 54.840 -0.002 0.000 0.849 364 L CB 0.166 42.171 42.059 -0.090 0.000 1.155 364 L HN 0.259 nan 8.230 nan 0.000 0.452 365 K N 2.736 123.186 120.400 0.083 0.000 2.218 365 K HA 0.184 4.503 4.320 -0.000 0.000 0.276 365 K C 1.283 177.971 176.600 0.148 0.000 1.022 365 K CA 0.468 56.820 56.287 0.107 0.000 0.946 365 K CB 0.892 33.436 32.500 0.073 0.000 1.000 365 K HN 0.788 nan 8.250 nan 0.000 0.468 366 T N -1.390 113.274 114.554 0.184 0.000 2.881 366 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 366 T C 1.725 176.512 174.700 0.145 0.000 1.068 366 T CA 1.170 63.380 62.100 0.183 0.000 1.131 366 T CB -0.199 68.816 68.868 0.246 0.000 0.871 366 T HN 0.724 nan 8.240 nan 0.000 0.479 367 G N 0.810 109.680 108.800 0.116 0.000 2.880 367 G HA2 0.125 4.085 3.960 -0.000 0.000 0.209 367 G HA3 0.125 4.085 3.960 -0.000 0.000 0.209 367 G C -0.051 174.893 174.900 0.074 0.000 1.157 367 G CA -0.298 44.852 45.100 0.084 0.000 0.779 367 G HN 0.411 nan 8.290 nan 0.000 0.539 368 D N 1.049 121.509 120.400 0.100 0.000 2.304 368 D HA 0.181 4.821 4.640 -0.000 0.000 0.250 368 D C 0.020 176.390 176.300 0.116 0.000 1.107 368 D CA -0.271 53.787 54.000 0.097 0.000 0.885 368 D CB 0.896 41.760 40.800 0.107 0.000 1.192 368 D HN -0.120 nan 8.370 nan 0.000 0.436 369 N N 1.086 119.812 118.700 0.044 0.000 2.508 369 N HA 0.337 5.077 4.740 -0.000 0.000 0.264 369 N C -0.496 175.059 175.510 0.075 0.000 1.216 369 N CA -0.044 52.980 53.050 -0.043 0.000 0.943 369 N CB 0.425 38.859 38.487 -0.089 0.000 1.113 369 N HN 0.323 nan 8.380 nan 0.000 0.447 370 F N -2.078 117.859 119.950 -0.022 0.000 2.645 370 F HA 0.657 5.184 4.527 -0.000 0.000 0.310 370 F C -0.724 175.032 175.800 -0.073 0.000 1.102 370 F CA -0.889 57.117 58.000 0.011 0.000 0.952 370 F CB 1.074 40.162 39.000 0.147 0.000 1.326 370 F HN 0.085 nan 8.300 nan 0.000 0.456 371 T N 2.310 117.000 114.554 0.227 0.000 2.861 371 T HA 0.666 5.016 4.350 -0.000 0.000 0.287 371 T C -0.937 173.841 174.700 0.131 0.000 1.003 371 T CA -0.671 61.452 62.100 0.037 0.000 0.977 371 T CB 1.703 70.546 68.868 -0.042 0.000 0.996 371 T HN 0.922 nan 8.240 nan 0.000 0.448 372 V N 0.777 120.695 119.914 0.008 0.000 2.680 372 V HA 0.733 4.853 4.120 -0.000 0.000 0.309 372 V C -0.664 175.435 176.094 0.009 0.000 1.052 372 V CA -1.132 61.157 62.300 -0.018 0.000 0.908 372 V CB 1.565 33.196 31.823 -0.319 0.000 1.001 372 V HN 0.869 nan 8.190 nan 0.000 0.431 373 I N 4.655 125.255 120.570 0.051 0.000 2.330 373 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 373 I C -0.636 175.545 176.117 0.107 0.000 1.001 373 I CA -0.309 61.030 61.300 0.064 0.000 1.193 373 I CB 1.396 39.426 38.000 0.052 0.000 1.345 373 I HN 0.534 nan 8.210 nan 0.000 0.461 374 I N 5.944 126.603 120.570 0.149 0.000 2.378 374 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 374 I C -0.129 176.073 176.117 0.142 0.000 0.992 374 I CA -0.769 60.627 61.300 0.160 0.000 1.154 374 I CB 1.068 39.182 38.000 0.190 0.000 1.315 374 I HN 0.481 nan 8.210 nan 0.000 0.448 375 N N 6.337 125.099 118.700 0.102 0.000 2.483 375 N HA 0.317 5.057 4.740 -0.000 0.000 0.269 375 N C -2.508 173.026 175.510 0.040 0.000 1.209 375 N CA -1.749 51.342 53.050 0.069 0.000 0.969 375 N CB 0.269 38.785 38.487 0.049 0.000 1.173 375 N HN 0.234 nan 8.380 nan 0.000 0.475 376 P HA -0.043 nan 4.420 nan 0.000 0.262 376 P C 0.185 177.446 177.300 -0.065 0.000 1.182 376 P CA 0.682 63.766 63.100 -0.027 0.000 0.761 376 P CB 0.274 31.962 31.700 -0.020 0.000 0.795 377 S N 0.339 116.006 115.700 -0.056 0.000 3.358 377 S HA -0.168 4.302 4.470 -0.000 0.000 0.309 377 S C 0.637 175.258 174.600 0.035 0.000 1.247 377 S CA 0.777 58.965 58.200 -0.020 0.000 0.961 377 S CB -2.445 60.504 63.200 -0.419 0.000 1.074 377 S HN 0.780 nan 8.310 nan 0.000 0.625 378 G N -0.447 108.413 108.800 0.100 0.000 2.932 378 G HA2 0.844 4.804 3.960 -0.000 0.000 0.283 378 G HA3 0.844 4.804 3.960 -0.000 0.000 0.283 378 G C -0.279 174.789 174.900 0.279 0.000 1.336 378 G CA -0.350 44.812 45.100 0.103 0.000 1.056 378 G HN 1.570 nan 8.290 nan 0.000 0.522 379 V N -3.609 116.418 119.914 0.187 0.000 3.160 379 V HA 0.877 4.997 4.120 -0.000 0.000 0.310 379 V C -0.990 175.254 176.094 0.249 0.000 1.181 379 V CA -1.044 61.412 62.300 0.261 0.000 1.047 379 V CB 1.619 33.568 31.823 0.210 0.000 1.068 379 V HN 0.658 nan 8.190 nan 0.000 0.441 380 V N 2.647 122.747 119.914 0.310 0.000 2.525 380 V HA 0.597 4.717 4.120 -0.000 0.000 0.299 380 V C -0.401 175.906 176.094 0.355 0.000 1.034 380 V CA -0.238 62.262 62.300 0.333 0.000 0.863 380 V CB 1.599 33.580 31.823 0.264 0.000 0.999 380 V HN 1.028 nan 8.190 nan 0.000 0.423 381 M N 4.936 124.750 119.600 0.355 0.000 2.321 381 M HA 0.620 5.100 4.480 -0.000 0.000 0.315 381 M C -2.150 174.433 176.300 0.472 0.000 1.052 381 M CA -0.290 55.174 55.300 0.273 0.000 0.936 381 M CB 1.933 34.613 32.600 0.134 0.000 1.639 381 M HN 0.620 nan 8.290 nan 0.000 0.433 382 W N 3.563 124.946 121.300 0.139 0.000 2.689 382 W HA 0.416 5.076 4.660 -0.000 0.000 0.340 382 W C -1.373 175.227 176.519 0.134 0.000 1.060 382 W CA -0.903 56.515 57.345 0.122 0.000 1.218 382 W CB 1.016 30.541 29.460 0.109 0.000 1.410 382 W HN 0.501 nan 8.180 nan 0.000 0.528 383 Y N 3.610 124.008 120.300 0.163 0.000 2.328 383 Y HA 0.639 5.189 4.550 -0.000 0.000 0.336 383 Y C -1.445 174.488 175.900 0.055 0.000 0.960 383 Y CA -1.266 56.887 58.100 0.089 0.000 1.134 383 Y CB 0.575 39.056 38.460 0.035 0.000 1.166 383 Y HN 0.190 nan 8.280 nan 0.000 0.464 384 L N 6.212 127.242 121.223 -0.321 0.000 2.341 384 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 384 L C -0.969 175.736 176.870 -0.274 0.000 1.005 384 L CA -0.360 54.330 54.840 -0.249 0.000 0.818 384 L CB 1.642 43.631 42.059 -0.116 0.000 1.259 384 L HN 0.670 nan 8.230 nan 0.000 0.418 385 C N 3.714 122.934 119.300 -0.134 0.000 2.340 385 C HA 0.581 5.041 4.460 -0.000 0.000 0.323 385 C C -2.273 172.726 174.990 0.015 0.000 1.260 385 C CA -1.329 57.641 59.018 -0.080 0.000 1.464 385 C CB 1.650 29.297 27.740 -0.155 0.000 2.156 385 C HN 0.535 nan 8.230 nan 0.000 0.476 386 P HA 0.197 nan 4.420 nan 0.000 0.271 386 P C -0.824 176.312 177.300 -0.272 0.000 1.216 386 P CA 0.198 63.039 63.100 -0.430 0.000 0.776 386 P CB 0.854 32.381 31.700 -0.289 0.000 0.881 387 K N 1.327 121.534 120.400 -0.321 0.000 2.095 387 K HA 0.766 5.086 4.320 -0.000 0.000 0.252 387 K C -0.035 176.475 176.600 -0.149 0.000 0.977 387 K CA -0.727 55.452 56.287 -0.179 0.000 0.900 387 K CB 1.625 34.033 32.500 -0.153 0.000 1.060 387 K HN 0.552 nan 8.250 nan 0.000 0.449 388 A N 0.000 122.764 122.820 -0.093 0.000 2.254 388 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 388 A CA 0.000 51.996 52.037 -0.069 0.000 0.836 388 A CB 0.000 18.968 19.000 -0.054 0.000 0.831 388 A HN 0.000 nan 8.150 nan 0.000 0.486