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 2wc7_1_A DATA FIRST_RESID 2 DATA SEQUENCE QIQTPDWVKH AVFYQIFPDR FARSKQPRKR LLQEARWEDW DSMPTLQGYK DATA SEQUENCE GGDLWGIMED LDYIQNLGIN AIYFTPIFQS ASNHRYHTHD YYQVDPMLGG DATA SEQUENCE NEAFKELLDA AHQRNIKVVL DGVFNHSSRG FFFFHDVLEN GPHSPWVNWF DATA SEQUENCE KIEGWPLSPY NGEFPANYVG WAGNRALPEF NHDNPEVREY IMEIAEYWLK DATA SEQUENCE FGIDGWRLDV PFEIKTPGFW QEFRDRTKAI NPEAYIVGEV WGDSRQWLDG DATA SEQUENCE TQFDGVMNYL FAGPTIAFAA GDRVVLEQVQ SRDYQPYPPL FAAEYATKIQ DATA SEQUENCE EVLQLYPWEI QLTQLNLLAS HDTARLMTIA GGDIASVELS TLLLLTFPGA DATA SEQUENCE PSIYYGDEVG LPGGIDXXXX RGFPLEXNWN QEIFNTHRQL ITIRQTYPAL DATA SEQUENCE RTGDYQVLYA QGQLYLFART LGTEELIIAI NAGTSSATAN VDVASLHTQP DATA SEQUENCE NKLLYGTAXX XXXXXXXXQQ LSLTLPARSG CILGT 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.022 176.000 0.036 0.000 1.003 2 Q CA 0.000 55.822 55.803 0.032 0.000 1.022 2 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 3 I N 3.165 123.758 120.570 0.039 0.000 2.742 3 I HA -0.066 4.109 4.170 0.008 0.000 0.287 3 I C 0.160 176.299 176.117 0.037 0.000 1.186 3 I CA 1.119 62.443 61.300 0.040 0.000 1.417 3 I CB 0.272 38.299 38.000 0.044 0.000 1.377 3 I HN 0.479 nan 8.210 nan 0.000 0.556 4 Q N 5.541 125.362 119.800 0.035 0.000 2.271 4 Q HA 0.427 4.772 4.340 0.008 0.000 0.268 4 Q C -1.010 175.004 176.000 0.023 0.000 1.021 4 Q CA -0.688 55.132 55.803 0.028 0.000 0.802 4 Q CB 2.260 31.020 28.738 0.036 0.000 1.282 4 Q HN 0.785 nan 8.270 nan 0.000 0.431 5 T N 0.339 114.889 114.554 -0.006 0.000 2.924 5 T HA 0.678 5.033 4.350 0.008 0.000 0.291 5 T C -2.700 171.960 174.700 -0.067 0.000 1.045 5 T CA -2.231 59.853 62.100 -0.026 0.000 1.015 5 T CB 1.556 70.384 68.868 -0.066 0.000 1.103 5 T HN 0.300 nan 8.240 nan 0.000 0.496 6 P HA 0.193 nan 4.420 nan 0.000 0.264 6 P C -0.042 177.099 177.300 -0.266 0.000 1.183 6 P CA 0.172 63.159 63.100 -0.190 0.000 0.763 6 P CB 0.378 31.854 31.700 -0.373 0.000 0.807 7 D N 2.316 122.663 120.400 -0.088 0.000 2.162 7 D HA -0.094 4.551 4.640 0.008 0.000 0.203 7 D C 1.485 177.823 176.300 0.063 0.000 0.967 7 D CA 0.703 54.702 54.000 -0.000 0.000 0.840 7 D CB -0.189 40.668 40.800 0.094 0.000 0.972 7 D HN 0.562 nan 8.370 nan 0.000 0.482 8 W N 0.305 121.630 121.300 0.042 0.000 2.350 8 W HA -0.129 4.538 4.660 0.011 0.000 0.289 8 W C 1.157 177.686 176.519 0.015 0.000 1.215 8 W CA 0.349 57.716 57.345 0.037 0.000 1.236 8 W CB -1.099 28.354 29.460 -0.012 0.000 1.130 8 W HN -0.152 nan 8.180 nan 0.000 0.541 9 V N 2.419 121.821 119.914 -0.853 0.000 2.427 9 V HA -0.279 3.846 4.120 0.008 0.000 0.248 9 V C 2.575 178.420 176.094 -0.415 0.000 1.051 9 V CA 2.303 64.047 62.300 -0.926 0.000 1.048 9 V CB -0.794 30.114 31.823 -1.525 0.000 0.666 9 V HN 0.122 nan 8.190 nan 0.000 0.456 10 K N -0.599 119.580 120.400 -0.368 0.000 2.280 10 K HA -0.142 4.183 4.320 0.008 0.000 0.202 10 K C 1.298 177.615 176.600 -0.471 0.000 1.047 10 K CA 1.368 57.409 56.287 -0.411 0.000 0.942 10 K CB -0.144 32.090 32.500 -0.443 0.000 0.739 10 K HN 0.635 nan 8.250 nan 0.000 0.457 11 H N -1.288 117.762 119.070 -0.034 0.000 2.674 11 H HA 0.321 4.881 4.556 0.007 0.000 0.274 11 H C -0.227 175.142 175.328 0.068 0.000 1.121 11 H CA -0.307 55.756 56.048 0.024 0.000 1.132 11 H CB 0.842 30.625 29.762 0.036 0.000 1.606 11 H HN 0.098 nan 8.280 nan 0.000 0.558 12 A N 0.705 123.627 122.820 0.171 0.000 2.269 12 A HA 0.648 4.973 4.320 0.008 0.000 0.319 12 A C -0.590 177.111 177.584 0.194 0.000 1.110 12 A CA -0.552 51.598 52.037 0.188 0.000 0.847 12 A CB 0.930 20.084 19.000 0.256 0.000 1.161 12 A HN 0.114 nan 8.150 nan 0.000 0.497 13 V N 1.164 121.159 119.914 0.134 0.000 2.443 13 V HA 0.394 4.518 4.120 0.008 0.000 0.293 13 V C -1.143 175.068 176.094 0.194 0.000 1.021 13 V CA -0.219 62.195 62.300 0.191 0.000 0.848 13 V CB 0.701 32.592 31.823 0.113 0.000 0.998 13 V HN 0.700 nan 8.190 nan 0.000 0.424 14 F N 3.655 123.705 119.950 0.167 0.000 2.378 14 F HA 0.602 5.134 4.527 0.008 0.000 0.325 14 F C -0.311 175.716 175.800 0.379 0.000 1.097 14 F CA -0.605 57.554 58.000 0.264 0.000 1.079 14 F CB 1.276 40.406 39.000 0.217 0.000 1.240 14 F HN 0.487 nan 8.300 nan 0.000 0.519 15 Y N 2.516 123.039 120.300 0.372 0.000 2.344 15 Y HA 0.241 4.795 4.550 0.008 0.000 0.328 15 Y C -0.690 175.204 175.900 -0.009 0.000 1.067 15 Y CA -0.810 57.399 58.100 0.180 0.000 1.247 15 Y CB 0.774 39.276 38.460 0.071 0.000 1.113 15 Y HN 0.558 nan 8.280 nan 0.000 0.465 16 Q N 6.346 125.876 119.800 -0.449 0.000 2.288 16 Q HA 0.535 4.880 4.340 0.008 0.000 0.258 16 Q C -1.169 174.399 176.000 -0.720 0.000 0.957 16 Q CA -0.195 55.126 55.803 -0.803 0.000 0.919 16 Q CB 0.763 29.163 28.738 -0.563 0.000 1.185 16 Q HN 0.764 nan 8.270 nan 0.000 0.408 17 I N 3.742 123.973 120.570 -0.565 0.000 2.465 17 I HA 0.240 4.415 4.170 0.008 0.000 0.291 17 I C -0.885 174.978 176.117 -0.423 0.000 1.014 17 I CA -0.904 60.017 61.300 -0.631 0.000 1.093 17 I CB 1.465 39.129 38.000 -0.560 0.000 1.267 17 I HN 0.589 nan 8.210 nan 0.000 0.431 18 F N 9.387 128.852 119.950 -0.807 0.000 2.351 18 F HA 0.465 4.996 4.527 0.008 0.000 0.362 18 F C -1.984 173.527 175.800 -0.481 0.000 1.131 18 F CA -2.594 55.138 58.000 -0.448 0.000 1.187 18 F CB 0.696 39.619 39.000 -0.128 0.000 1.434 18 F HN 0.247 nan 8.300 nan 0.000 0.553 19 P HA -0.170 nan 4.420 nan 0.000 0.215 19 P C 1.234 178.102 177.300 -0.721 0.000 1.153 19 P CA 1.377 63.998 63.100 -0.797 0.000 0.853 19 P CB 0.304 31.478 31.700 -0.877 0.000 0.788 20 D N -0.982 118.809 120.400 -1.014 0.000 2.239 20 D HA -0.157 4.488 4.640 0.008 0.000 0.202 20 D C 1.377 177.395 176.300 -0.469 0.000 0.993 20 D CA 1.145 54.722 54.000 -0.705 0.000 0.874 20 D CB -0.152 40.173 40.800 -0.792 0.000 0.922 20 D HN 0.220 nan 8.370 nan 0.000 0.464 21 R N -1.532 118.619 120.500 -0.582 0.000 2.629 21 R HA 0.156 4.501 4.340 0.008 0.000 0.408 21 R C 0.852 176.666 176.300 -0.809 0.000 1.057 21 R CA -0.310 55.505 56.100 -0.475 0.000 1.119 21 R CB 0.346 30.752 30.300 0.177 0.000 1.403 21 R HN 0.110 nan 8.270 nan 0.000 0.576 22 F N 0.949 120.403 119.950 -0.827 0.000 2.084 22 F HA 0.335 4.868 4.527 0.008 0.000 0.283 22 F C 0.410 175.889 175.800 -0.535 0.000 1.141 22 F CA 0.494 58.113 58.000 -0.636 0.000 1.146 22 F CB 0.424 39.128 39.000 -0.493 0.000 1.035 22 F HN -0.084 nan 8.300 nan 0.000 0.485 23 A N 0.263 122.974 122.820 -0.182 0.000 2.517 23 A HA 0.599 4.924 4.320 0.008 0.000 0.297 23 A C -1.020 176.701 177.584 0.229 0.000 1.050 23 A CA -0.800 51.266 52.037 0.048 0.000 0.694 23 A CB 1.089 20.066 19.000 -0.038 0.000 1.277 23 A HN 0.330 nan 8.150 nan 0.000 0.400 24 R N 0.771 121.460 120.500 0.315 0.000 2.500 24 R HA 0.543 4.888 4.340 0.008 0.000 0.275 24 R C 0.515 176.930 176.300 0.192 0.000 1.051 24 R CA -0.307 55.941 56.100 0.246 0.000 1.088 24 R CB 1.317 31.735 30.300 0.197 0.000 1.063 24 R HN 0.707 nan 8.270 nan 0.000 0.511 25 S N 0.442 116.259 115.700 0.195 0.000 2.576 25 S HA 0.035 4.510 4.470 0.008 0.000 0.276 25 S C 0.648 175.308 174.600 0.099 0.000 1.339 25 S CA -0.331 57.972 58.200 0.173 0.000 1.039 25 S CB 0.627 63.926 63.200 0.164 0.000 0.902 25 S HN 0.508 nan 8.310 nan 0.000 0.516 26 K N 2.064 122.509 120.400 0.074 0.000 2.522 26 K HA 0.108 4.433 4.320 0.008 0.000 0.194 26 K C 0.049 176.643 176.600 -0.009 0.000 1.026 26 K CA 0.370 56.675 56.287 0.031 0.000 1.119 26 K CB 0.085 32.600 32.500 0.026 0.000 0.856 26 K HN 0.596 nan 8.250 nan 0.000 0.513 27 Q N 0.545 120.335 119.800 -0.016 0.000 2.397 27 Q HA 0.298 4.642 4.340 0.008 0.000 0.275 27 Q C -2.655 173.302 176.000 -0.072 0.000 1.090 27 Q CA -2.354 53.403 55.803 -0.076 0.000 0.809 27 Q CB 2.107 30.788 28.738 -0.094 0.000 1.362 27 Q HN -0.053 nan 8.270 nan 0.000 0.431 28 P HA 0.138 nan 4.420 nan 0.000 0.271 28 P C -0.958 176.363 177.300 0.034 0.000 1.220 28 P CA -0.140 62.896 63.100 -0.108 0.000 0.768 28 P CB 0.809 32.193 31.700 -0.526 0.000 0.848 29 R N 2.317 122.919 120.500 0.170 0.000 2.637 29 R HA 0.304 4.648 4.340 0.008 0.000 0.291 29 R C 0.334 176.748 176.300 0.191 0.000 0.963 29 R CA -0.560 55.542 56.100 0.003 0.000 0.901 29 R CB 1.346 31.473 30.300 -0.289 0.000 1.160 29 R HN 0.271 nan 8.270 nan 0.000 0.457 30 K N 3.857 124.264 120.400 0.011 0.000 2.758 30 K HA 0.123 4.448 4.320 0.008 0.000 0.250 30 K C -0.155 176.478 176.600 0.055 0.000 1.268 30 K CA -0.238 56.062 56.287 0.022 0.000 1.228 30 K CB 0.097 32.511 32.500 -0.143 0.000 1.715 30 K HN 0.461 nan 8.250 nan 0.000 0.334 31 R N 1.108 121.676 120.500 0.113 0.000 2.643 31 R HA 0.082 4.427 4.340 0.008 0.000 0.270 31 R C 0.726 177.084 176.300 0.096 0.000 1.061 31 R CA -0.549 55.657 56.100 0.176 0.000 1.107 31 R CB 0.392 30.815 30.300 0.206 0.000 0.999 31 R HN 0.214 nan 8.270 nan 0.000 0.460 32 L N 0.998 122.285 121.223 0.107 0.000 3.639 32 L HA -0.303 4.042 4.340 0.008 0.000 0.053 32 L C -0.633 176.260 176.870 0.039 0.000 4.336 32 L CA 2.053 56.929 54.840 0.060 0.000 0.628 32 L CB -1.307 40.767 42.059 0.025 0.000 3.503 32 L HN 0.680 nan 8.230 nan 0.000 0.874 33 L N 1.908 123.135 121.223 0.007 0.000 2.399 33 L HA 0.282 4.626 4.340 0.008 0.000 0.257 33 L C 1.587 178.443 176.870 -0.023 0.000 1.236 33 L CA 0.780 55.611 54.840 -0.015 0.000 1.144 33 L CB -0.189 41.844 42.059 -0.043 0.000 1.379 33 L HN 0.521 nan 8.230 nan 0.000 0.414 34 Q N 0.152 119.955 119.800 0.006 0.000 2.291 34 Q HA -0.130 4.215 4.340 0.008 0.000 0.206 34 Q C 1.269 177.239 176.000 -0.049 0.000 0.976 34 Q CA 1.186 56.986 55.803 -0.004 0.000 0.875 34 Q CB 0.231 29.000 28.738 0.052 0.000 0.927 34 Q HN 0.433 nan 8.270 nan 0.000 0.450 35 E N 0.169 120.343 120.200 -0.043 0.000 2.442 35 E HA 0.133 4.487 4.350 0.008 0.000 0.195 35 E C 0.238 176.785 176.600 -0.089 0.000 1.030 35 E CA 0.410 56.778 56.400 -0.053 0.000 0.869 35 E CB -0.167 29.517 29.700 -0.025 0.000 0.857 35 E HN 0.277 nan 8.360 nan 0.000 0.505 36 A N 2.170 124.925 122.820 -0.108 0.000 2.540 36 A HA 0.059 4.383 4.320 0.008 0.000 0.239 36 A C 0.359 177.817 177.584 -0.211 0.000 1.061 36 A CA 0.134 52.096 52.037 -0.124 0.000 0.758 36 A CB 0.051 18.984 19.000 -0.112 0.000 0.991 36 A HN 0.019 nan 8.150 nan 0.000 0.502 37 R N 1.332 121.749 120.500 -0.139 0.000 2.459 37 R HA 0.177 4.522 4.340 0.008 0.000 0.281 37 R C 0.138 176.384 176.300 -0.089 0.000 1.050 37 R CA -0.261 55.753 56.100 -0.144 0.000 1.055 37 R CB 0.615 30.905 30.300 -0.017 0.000 1.045 37 R HN 0.942 nan 8.270 nan 0.000 0.495 38 W N 1.193 122.537 121.300 0.074 0.000 2.331 38 W HA -0.200 4.465 4.660 0.008 0.000 0.291 38 W C 1.666 178.255 176.519 0.117 0.000 1.214 38 W CA 0.744 58.139 57.345 0.083 0.000 1.228 38 W CB -0.013 29.430 29.460 -0.028 0.000 1.135 38 W HN 0.664 nan 8.180 nan 0.000 0.537 39 E N -0.118 120.246 120.200 0.275 0.000 2.209 39 E HA -0.186 4.169 4.350 0.008 0.000 0.196 39 E C 1.339 178.044 176.600 0.175 0.000 0.993 39 E CA 1.550 58.064 56.400 0.190 0.000 0.819 39 E CB -0.510 29.262 29.700 0.121 0.000 0.745 39 E HN 0.306 nan 8.360 nan 0.000 0.477 40 D N -0.859 119.638 120.400 0.162 0.000 2.354 40 D HA -0.082 4.563 4.640 0.008 0.000 0.209 40 D C 1.322 177.714 176.300 0.152 0.000 1.015 40 D CA -0.044 54.024 54.000 0.113 0.000 0.867 40 D CB -0.222 40.606 40.800 0.046 0.000 0.933 40 D HN 0.281 nan 8.370 nan 0.000 0.520 41 W N 2.741 124.073 121.300 0.054 0.000 2.277 41 W HA -0.286 4.378 4.660 0.008 0.000 0.327 41 W C 0.843 177.396 176.519 0.057 0.000 1.284 41 W CA 1.743 59.133 57.345 0.076 0.000 1.277 41 W CB -0.092 29.496 29.460 0.212 0.000 1.141 41 W HN -0.034 nan 8.180 nan 0.000 0.482 42 D N -0.348 120.182 120.400 0.217 0.000 2.219 42 D HA -0.115 4.530 4.640 0.008 0.000 0.205 42 D C 2.279 178.571 176.300 -0.014 0.000 0.970 42 D CA 1.513 55.563 54.000 0.082 0.000 0.851 42 D CB -0.568 40.317 40.800 0.142 0.000 0.943 42 D HN 0.036 nan 8.370 nan 0.000 0.488 43 S N -0.195 115.502 115.700 -0.005 0.000 2.489 43 S HA 0.070 4.545 4.470 0.008 0.000 0.228 43 S C 1.022 175.575 174.600 -0.078 0.000 0.995 43 S CA 0.345 58.529 58.200 -0.027 0.000 0.934 43 S CB 0.062 63.259 63.200 -0.005 0.000 0.771 43 S HN 0.273 nan 8.310 nan 0.000 0.522 44 M N 1.712 121.224 119.600 -0.147 0.000 2.385 44 M HA 0.262 4.747 4.480 0.008 0.000 0.346 44 M C -2.301 173.834 176.300 -0.275 0.000 1.180 44 M CA -2.091 53.086 55.300 -0.204 0.000 1.154 44 M CB 0.939 33.394 32.600 -0.241 0.000 1.251 44 M HN -0.145 nan 8.290 nan 0.000 0.430 45 P HA -0.167 nan 4.420 nan 0.000 0.216 45 P C 1.217 178.415 177.300 -0.170 0.000 1.154 45 P CA 1.633 64.641 63.100 -0.154 0.000 0.865 45 P CB 0.088 31.735 31.700 -0.089 0.000 0.789 46 T N -1.005 113.455 114.554 -0.157 0.000 2.777 46 T HA -0.078 4.277 4.350 0.008 0.000 0.266 46 T C 1.569 176.158 174.700 -0.185 0.000 1.040 46 T CA 1.113 63.135 62.100 -0.131 0.000 1.141 46 T CB -0.650 68.162 68.868 -0.093 0.000 0.868 46 T HN -0.036 nan 8.240 nan 0.000 0.444 47 L N 0.960 121.994 121.223 -0.316 0.000 2.127 47 L HA 0.115 4.460 4.340 0.008 0.000 0.203 47 L C 2.662 179.060 176.870 -0.787 0.000 1.080 47 L CA 1.224 55.785 54.840 -0.465 0.000 0.768 47 L CB -0.830 40.903 42.059 -0.544 0.000 0.924 47 L HN 0.144 nan 8.230 nan 0.000 0.444 48 Q N 0.439 119.648 119.800 -0.986 0.000 2.167 48 Q HA -0.032 4.312 4.340 0.008 0.000 0.202 48 Q C 0.858 176.747 176.000 -0.184 0.000 0.970 48 Q CA 1.384 56.568 55.803 -1.032 0.000 0.855 48 Q CB 0.007 28.263 28.738 -0.803 0.000 0.911 48 Q HN 0.400 nan 8.270 nan 0.000 0.438 49 G N -2.089 106.621 108.800 -0.150 0.000 0.000 49 G HA2 0.601 4.565 3.960 0.008 0.000 0.000 49 G HA3 0.601 4.565 3.960 0.008 0.000 0.000 49 G C -1.259 173.644 174.900 0.005 0.000 0.000 49 G CA 0.110 45.196 45.100 -0.024 0.000 0.000 49 G HN 0.397 nan 8.290 nan 0.000 0.000 50 Y N -2.394 nan 120.300 nan 0.000 0.000 50 Y HA 0.680 5.235 4.550 0.008 0.000 0.000 50 Y C 0.030 nan 175.900 nan 0.000 0.000 50 Y CA -0.117 nan 58.100 nan 0.000 0.000 50 Y CB 1.057 nan 38.460 nan 0.000 0.000 50 Y HN 0.876 nan 8.280 nan 0.000 0.000 51 K N -0.221 120.228 120.400 0.081 0.000 0.000 51 K HA 0.344 4.669 4.320 0.008 0.000 0.000 51 K C 0.366 177.042 176.600 0.126 0.000 0.000 51 K CA 0.719 57.053 56.287 0.078 0.000 0.000 51 K CB 0.442 32.961 32.500 0.033 0.000 0.000 51 K HN 1.670 nan 8.250 nan 0.000 0.000 52 G N -0.071 108.821 108.800 0.153 0.000 2.599 52 G HA2 0.474 4.438 3.960 0.008 0.000 0.264 52 G HA3 0.474 4.438 3.960 0.008 0.000 0.264 52 G C 0.231 175.274 174.900 0.240 0.000 1.200 52 G CA -0.066 45.164 45.100 0.218 0.000 0.896 52 G HN 0.139 nan 8.290 nan 0.000 0.536 53 G N -0.749 108.167 108.800 0.193 0.000 2.539 53 G HA2 0.489 4.454 3.960 0.008 0.000 0.258 53 G HA3 0.489 4.454 3.960 0.008 0.000 0.258 53 G C -0.484 174.415 174.900 -0.002 0.000 1.202 53 G CA 0.302 45.447 45.100 0.074 0.000 0.851 53 G HN 0.913 nan 8.290 nan 0.000 0.556 54 D N -1.146 119.274 120.400 0.034 0.000 2.759 54 D HA 0.195 4.840 4.640 0.008 0.000 0.321 54 D C 0.875 177.148 176.300 -0.044 0.000 1.267 54 D CA -0.846 53.159 54.000 0.007 0.000 0.933 54 D CB 0.399 41.321 40.800 0.204 0.000 1.431 54 D HN 0.184 nan 8.370 nan 0.000 0.504 55 L N -0.939 120.180 121.223 -0.174 0.000 2.209 55 L HA 0.115 4.460 4.340 0.008 0.000 0.207 55 L C 1.765 178.527 176.870 -0.179 0.000 1.094 55 L CA 0.378 55.057 54.840 -0.268 0.000 0.790 55 L CB -0.410 41.431 42.059 -0.362 0.000 0.932 55 L HN 0.469 nan 8.230 nan 0.000 0.447 56 W N 0.525 121.851 121.300 0.045 0.000 2.290 56 W HA -0.223 4.442 4.660 0.009 0.000 0.323 56 W C 2.536 179.103 176.519 0.079 0.000 1.260 56 W CA 1.104 58.488 57.345 0.065 0.000 1.266 56 W CB -1.358 28.148 29.460 0.076 0.000 1.149 56 W HN 0.119 nan 8.180 nan 0.000 0.482 57 G N 0.718 109.706 108.800 0.315 0.000 2.446 57 G HA2 -0.267 3.698 3.960 0.008 0.000 0.217 57 G HA3 -0.267 3.698 3.960 0.008 0.000 0.217 57 G C 1.416 176.478 174.900 0.270 0.000 1.168 57 G CA 1.578 46.834 45.100 0.259 0.000 0.771 57 G HN 0.280 nan 8.290 nan 0.000 0.551 58 I N 0.387 121.096 120.570 0.232 0.000 2.226 58 I HA -0.213 3.962 4.170 0.008 0.000 0.245 58 I C 2.801 179.026 176.117 0.180 0.000 1.100 58 I CA 1.489 62.923 61.300 0.224 0.000 1.374 58 I CB -0.231 37.752 38.000 -0.028 0.000 1.057 58 I HN 0.239 nan 8.210 nan 0.000 0.413 59 M N 0.779 120.451 119.600 0.120 0.000 2.108 59 M HA -0.264 4.221 4.480 0.008 0.000 0.261 59 M C 2.001 178.385 176.300 0.140 0.000 1.066 59 M CA 1.952 57.313 55.300 0.101 0.000 1.107 59 M CB -0.147 32.501 32.600 0.080 0.000 1.356 59 M HN 0.150 nan 8.290 nan 0.000 0.406 60 E N -0.031 120.275 120.200 0.177 0.000 2.268 60 E HA -0.155 4.199 4.350 0.008 0.000 0.195 60 E C 0.219 176.922 176.600 0.171 0.000 0.995 60 E CA 0.890 57.388 56.400 0.163 0.000 0.836 60 E CB 0.109 29.907 29.700 0.164 0.000 0.763 60 E HN 0.530 nan 8.360 nan 0.000 0.491 61 D N -0.323 120.213 120.400 0.227 0.000 2.427 61 D HA 0.098 4.743 4.640 0.008 0.000 0.224 61 D C 1.134 177.611 176.300 0.295 0.000 1.157 61 D CA 0.008 54.177 54.000 0.281 0.000 0.828 61 D CB 0.291 41.311 40.800 0.368 0.000 0.974 61 D HN 0.121 nan 8.370 nan 0.000 0.498 62 L N 0.117 121.456 121.223 0.194 0.000 2.141 62 L HA -0.124 4.220 4.340 0.008 0.000 0.209 62 L C 1.708 178.648 176.870 0.117 0.000 1.094 62 L CA 0.841 55.760 54.840 0.132 0.000 0.763 62 L CB -0.003 42.101 42.059 0.076 0.000 0.908 62 L HN -0.039 nan 8.230 nan 0.000 0.437 63 D N -0.245 120.236 120.400 0.136 0.000 2.127 63 D HA -0.298 4.346 4.640 0.008 0.000 0.190 63 D C 1.839 178.238 176.300 0.166 0.000 1.000 63 D CA 1.776 55.855 54.000 0.133 0.000 0.839 63 D CB -0.349 40.536 40.800 0.141 0.000 0.955 63 D HN 0.315 nan 8.370 nan 0.000 0.446 64 Y N 1.106 121.480 120.300 0.124 0.000 2.145 64 Y HA -0.166 4.389 4.550 0.008 0.000 0.286 64 Y C 2.281 178.239 175.900 0.096 0.000 1.145 64 Y CA 1.395 59.590 58.100 0.159 0.000 1.148 64 Y CB -0.437 38.149 38.460 0.210 0.000 0.981 64 Y HN -0.033 nan 8.280 nan 0.000 0.507 65 I N 0.275 120.857 120.570 0.020 0.000 2.179 65 I HA -0.336 3.839 4.170 0.008 0.000 0.242 65 I C 2.600 178.577 176.117 -0.234 0.000 1.088 65 I CA 1.947 63.122 61.300 -0.209 0.000 1.357 65 I CB -0.533 37.444 38.000 -0.039 0.000 1.051 65 I HN 0.322 nan 8.210 nan 0.000 0.409 66 Q N 1.149 120.888 119.800 -0.103 0.000 2.119 66 Q HA -0.261 4.083 4.340 0.008 0.000 0.201 66 Q C 1.917 177.862 176.000 -0.092 0.000 0.972 66 Q CA 2.005 57.758 55.803 -0.084 0.000 0.847 66 Q CB -0.099 28.619 28.738 -0.033 0.000 0.903 66 Q HN 0.397 nan 8.270 nan 0.000 0.433 67 N N -0.358 118.293 118.700 -0.081 0.000 2.309 67 N HA -0.162 4.583 4.740 0.008 0.000 0.182 67 N C 1.486 176.928 175.510 -0.114 0.000 1.018 67 N CA 0.687 53.707 53.050 -0.049 0.000 0.876 67 N CB -0.126 38.382 38.487 0.035 0.000 0.972 67 N HN 0.315 nan 8.380 nan 0.000 0.434 68 L N -0.753 120.310 121.223 -0.266 0.000 2.141 68 L HA 0.207 4.551 4.340 0.008 0.000 0.209 68 L C 1.329 178.071 176.870 -0.214 0.000 1.094 68 L CA 1.840 56.477 54.840 -0.339 0.000 0.763 68 L CB -0.546 41.187 42.059 -0.544 0.000 0.908 68 L HN 0.357 nan 8.230 nan 0.000 0.437 69 G N -1.627 107.076 108.800 -0.161 0.000 2.205 69 G HA2 -0.140 3.825 3.960 0.008 0.000 0.180 69 G HA3 -0.140 3.825 3.960 0.008 0.000 0.180 69 G C 0.183 175.036 174.900 -0.078 0.000 1.004 69 G CA -0.040 45.005 45.100 -0.091 0.000 0.670 69 G HN 0.154 nan 8.290 nan 0.000 0.496 70 I N 2.009 122.503 120.570 -0.126 0.000 2.634 70 I HA 0.235 4.410 4.170 0.008 0.000 0.284 70 I C 0.965 177.029 176.117 -0.089 0.000 1.124 70 I CA 0.483 61.724 61.300 -0.098 0.000 1.417 70 I CB 0.934 38.830 38.000 -0.174 0.000 1.396 70 I HN 0.441 nan 8.210 nan 0.000 0.571 71 N N 2.549 121.196 118.700 -0.089 0.000 2.184 71 N HA 0.437 5.182 4.740 0.008 0.000 0.234 71 N C -0.598 174.791 175.510 -0.202 0.000 1.282 71 N CA -0.354 52.627 53.050 -0.114 0.000 0.877 71 N CB 1.060 39.505 38.487 -0.069 0.000 1.184 71 N HN 0.564 nan 8.380 nan 0.000 0.510 72 A N 0.972 123.638 122.820 -0.256 0.000 2.518 72 A HA 0.511 4.836 4.320 0.008 0.000 0.295 72 A C -1.391 176.043 177.584 -0.250 0.000 1.052 72 A CA -0.902 50.893 52.037 -0.402 0.000 0.824 72 A CB 0.660 19.156 19.000 -0.840 0.000 1.325 72 A HN 0.336 nan 8.150 nan 0.000 0.394 73 I N 0.815 121.285 120.570 -0.167 0.000 2.441 73 I HA 0.853 5.028 4.170 0.008 0.000 0.295 73 I C -0.875 175.085 176.117 -0.261 0.000 0.994 73 I CA -0.833 60.392 61.300 -0.126 0.000 1.144 73 I CB 0.978 38.863 38.000 -0.192 0.000 1.314 73 I HN 0.797 nan 8.210 nan 0.000 0.445 74 Y N 4.040 124.139 120.300 -0.335 0.000 2.499 74 Y HA 0.806 5.361 4.550 0.009 0.000 0.347 74 Y C -1.818 173.848 175.900 -0.389 0.000 0.987 74 Y CA -1.239 56.618 58.100 -0.405 0.000 1.044 74 Y CB 1.561 40.025 38.460 0.005 0.000 1.245 74 Y HN 0.392 nan 8.280 nan 0.000 0.461 75 F N 0.644 120.482 119.950 -0.186 0.000 2.541 75 F HA 0.594 5.126 4.527 0.009 0.000 0.331 75 F C 0.744 176.370 175.800 -0.291 0.000 1.057 75 F CA -1.291 56.510 58.000 -0.332 0.000 0.975 75 F CB 1.724 40.511 39.000 -0.356 0.000 1.246 75 F HN 0.734 nan 8.300 nan 0.000 0.484 76 T N -1.051 113.462 114.554 -0.068 0.000 2.667 76 T HA 0.299 4.654 4.350 0.008 0.000 0.305 76 T C -2.656 171.830 174.700 -0.356 0.000 1.022 76 T CA -1.595 60.373 62.100 -0.220 0.000 0.995 76 T CB 0.061 68.859 68.868 -0.117 0.000 1.026 76 T HN 0.151 nan 8.240 nan 0.000 0.527 77 P HA 0.188 nan 4.420 nan 0.000 0.264 77 P C 0.382 177.349 177.300 -0.554 0.000 1.193 77 P CA 0.010 62.728 63.100 -0.637 0.000 0.763 77 P CB 0.048 31.288 31.700 -0.766 0.000 0.810 78 I N -1.024 119.129 120.570 -0.697 0.000 4.338 78 I HA 0.319 4.494 4.170 0.008 0.000 0.329 78 I C -0.015 175.852 176.117 -0.416 0.000 1.378 78 I CA -0.234 60.713 61.300 -0.589 0.000 1.170 78 I CB 0.010 37.590 38.000 -0.700 0.000 1.206 78 I HN -0.006 nan 8.210 nan 0.000 0.432 79 F N 2.419 122.177 119.950 -0.321 0.000 2.444 79 F HA 0.231 4.762 4.527 0.008 0.000 0.331 79 F C 1.160 176.882 175.800 -0.129 0.000 1.167 79 F CA -0.713 57.153 58.000 -0.225 0.000 1.262 79 F CB 0.432 39.323 39.000 -0.182 0.000 1.196 79 F HN 0.114 nan 8.300 nan 0.000 0.583 80 Q N 1.981 121.888 119.800 0.178 0.000 2.308 80 Q HA 0.106 4.451 4.340 0.008 0.000 0.313 80 Q C -0.835 175.247 176.000 0.138 0.000 1.075 80 Q CA 0.238 56.116 55.803 0.125 0.000 0.995 80 Q CB 0.422 29.258 28.738 0.163 0.000 1.107 80 Q HN 0.749 nan 8.270 nan 0.000 0.380 81 S N 1.723 117.478 115.700 0.092 0.000 2.595 81 S HA 0.693 5.168 4.470 0.008 0.000 0.270 81 S C -1.040 173.610 174.600 0.084 0.000 1.145 81 S CA -0.697 57.578 58.200 0.124 0.000 0.825 81 S CB 0.688 63.950 63.200 0.103 0.000 1.107 81 S HN 0.841 nan 8.310 nan 0.000 0.461 82 A N 1.457 124.343 122.820 0.111 0.000 2.448 82 A HA 0.601 4.926 4.320 0.008 0.000 0.239 82 A C 0.594 178.258 177.584 0.133 0.000 1.080 82 A CA -0.202 51.887 52.037 0.088 0.000 0.779 82 A CB -0.436 18.597 19.000 0.056 0.000 1.026 82 A HN 1.108 nan 8.150 nan 0.000 0.499 83 S N 2.024 117.803 115.700 0.131 0.000 2.537 83 S HA 0.145 4.620 4.470 0.008 0.000 0.286 83 S C 0.707 175.449 174.600 0.237 0.000 1.299 83 S CA 0.252 58.536 58.200 0.140 0.000 1.067 83 S CB -0.081 63.182 63.200 0.105 0.000 0.864 83 S HN 0.773 nan 8.310 nan 0.000 0.494 84 N N 1.132 119.896 118.700 0.105 0.000 2.800 84 N HA -0.190 4.555 4.740 0.008 0.000 0.250 84 N C -0.775 174.506 175.510 -0.382 0.000 1.078 84 N CA 1.035 54.057 53.050 -0.047 0.000 0.804 84 N CB -1.308 37.134 38.487 -0.075 0.000 1.135 84 N HN 0.802 nan 8.380 nan 0.000 0.565 85 H N -0.909 118.139 119.070 -0.036 0.000 2.825 85 H HA 0.271 4.832 4.556 0.008 0.000 0.226 85 H C 0.913 176.178 175.328 -0.105 0.000 1.414 85 H CA -0.583 55.339 56.048 -0.211 0.000 1.198 85 H CB 0.455 29.956 29.762 -0.435 0.000 2.013 85 H HN 0.012 nan 8.280 nan 0.000 0.530 86 R N -0.225 120.309 120.500 0.056 0.000 2.241 86 R HA -0.110 4.234 4.340 0.008 0.000 0.224 86 R C 0.263 176.533 176.300 -0.050 0.000 1.101 86 R CA 1.013 57.102 56.100 -0.019 0.000 0.995 86 R CB -0.223 30.019 30.300 -0.097 0.000 0.870 86 R HN 0.483 nan 8.270 nan 0.000 0.463 87 Y N 0.085 120.444 120.300 0.099 0.000 2.490 87 Y HA 0.060 4.615 4.550 0.008 0.000 0.281 87 Y C 0.415 176.556 175.900 0.403 0.000 1.174 87 Y CA 0.339 58.557 58.100 0.196 0.000 1.295 87 Y CB 0.123 38.720 38.460 0.228 0.000 1.062 87 Y HN 0.115 nan 8.280 nan 0.000 0.522 88 H N -0.368 118.847 119.070 0.242 0.000 2.572 88 H HA 0.212 4.772 4.556 0.008 0.000 0.248 88 H C -0.025 175.381 175.328 0.130 0.000 1.397 88 H CA -0.741 55.431 56.048 0.206 0.000 1.319 88 H CB 0.344 30.234 29.762 0.214 0.000 1.452 88 H HN -0.038 nan 8.280 nan 0.000 0.535 89 T N 1.796 116.433 114.554 0.139 0.000 2.902 89 T HA -0.108 4.247 4.350 0.008 0.000 0.301 89 T C 1.206 175.982 174.700 0.127 0.000 1.012 89 T CA 0.168 62.243 62.100 -0.041 0.000 1.151 89 T CB 1.189 69.697 68.868 -0.601 0.000 0.946 89 T HN 0.656 nan 8.240 nan 0.000 0.542 90 H N 1.808 120.946 119.070 0.114 0.000 2.393 90 H HA 0.146 4.707 4.556 0.008 0.000 0.307 90 H C -0.089 175.442 175.328 0.339 0.000 1.038 90 H CA 0.542 56.739 56.048 0.247 0.000 1.351 90 H CB 0.832 30.696 29.762 0.169 0.000 1.464 90 H HN 0.558 nan 8.280 nan 0.000 0.575 91 D N -0.697 119.897 120.400 0.324 0.000 2.575 91 D HA 0.089 4.734 4.640 0.008 0.000 0.250 91 D C -0.294 176.132 176.300 0.209 0.000 1.279 91 D CA -0.558 53.644 54.000 0.336 0.000 0.925 91 D CB 0.494 41.500 40.800 0.343 0.000 1.261 91 D HN 0.040 nan 8.370 nan 0.000 0.567 92 Y N 1.805 122.249 120.300 0.241 0.000 2.509 92 Y HA -0.020 4.535 4.550 0.008 0.000 0.293 92 Y C 1.100 176.703 175.900 -0.494 0.000 1.133 92 Y CA 0.735 58.729 58.100 -0.177 0.000 1.283 92 Y CB -0.065 38.350 38.460 -0.075 0.000 1.001 92 Y HN 0.534 nan 8.280 nan 0.000 0.555 93 Y N -0.194 120.118 120.300 0.021 0.000 2.471 93 Y HA 0.137 4.692 4.550 0.008 0.000 0.286 93 Y C 0.527 176.440 175.900 0.023 0.000 1.188 93 Y CA 0.197 58.195 58.100 -0.171 0.000 1.286 93 Y CB 0.172 38.423 38.460 -0.349 0.000 1.072 93 Y HN 0.015 nan 8.280 nan 0.000 0.517 94 Q N 0.274 120.205 119.800 0.218 0.000 2.285 94 Q HA 0.369 4.714 4.340 0.008 0.000 0.269 94 Q C -1.208 174.932 176.000 0.234 0.000 1.030 94 Q CA -0.648 55.308 55.803 0.256 0.000 0.788 94 Q CB 2.440 31.294 28.738 0.193 0.000 1.266 94 Q HN -0.083 nan 8.270 nan 0.000 0.438 95 V N 3.502 123.549 119.914 0.221 0.000 2.655 95 V HA -0.048 4.077 4.120 0.008 0.000 0.300 95 V C 0.502 176.629 176.094 0.055 0.000 1.044 95 V CA 0.149 62.486 62.300 0.061 0.000 1.095 95 V CB 1.017 32.783 31.823 -0.095 0.000 0.952 95 V HN 0.788 nan 8.190 nan 0.000 0.485 96 D N 6.413 126.817 120.400 0.006 0.000 2.583 96 D HA -0.028 4.617 4.640 0.008 0.000 0.232 96 D C -1.531 174.776 176.300 0.011 0.000 1.128 96 D CA -0.885 53.119 54.000 0.006 0.000 0.859 96 D CB 1.643 42.421 40.800 -0.037 0.000 1.169 96 D HN 0.273 nan 8.370 nan 0.000 0.481 97 P HA -0.189 nan 4.420 nan 0.000 0.216 97 P C 1.638 178.975 177.300 0.063 0.000 1.157 97 P CA 1.333 64.466 63.100 0.057 0.000 0.880 97 P CB 0.125 31.849 31.700 0.040 0.000 0.791 98 M N -1.879 117.741 119.600 0.033 0.000 2.279 98 M HA -0.061 4.423 4.480 0.008 0.000 0.264 98 M C 1.920 178.246 176.300 0.044 0.000 1.062 98 M CA 1.389 56.713 55.300 0.040 0.000 1.099 98 M CB -1.391 31.217 32.600 0.013 0.000 1.394 98 M HN 0.049 nan 8.290 nan 0.000 0.426 99 L N -1.092 120.123 121.223 -0.013 0.000 2.554 99 L HA 0.110 4.455 4.340 0.008 0.000 0.226 99 L C 1.368 178.213 176.870 -0.042 0.000 1.137 99 L CA 0.519 55.316 54.840 -0.072 0.000 0.863 99 L CB -0.182 41.760 42.059 -0.196 0.000 0.985 99 L HN 0.568 nan 8.230 nan 0.000 0.451 100 G N -1.084 107.758 108.800 0.071 0.000 2.205 100 G HA2 -0.068 3.897 3.960 0.008 0.000 0.180 100 G HA3 -0.068 3.897 3.960 0.008 0.000 0.180 100 G C 0.667 175.620 174.900 0.088 0.000 1.004 100 G CA -0.238 44.949 45.100 0.145 0.000 0.670 100 G HN 0.673 nan 8.290 nan 0.000 0.496 101 G N 0.190 109.029 108.800 0.064 0.000 2.749 101 G HA2 -0.161 3.803 3.960 0.008 0.000 0.242 101 G HA3 -0.161 3.803 3.960 0.008 0.000 0.242 101 G C 0.642 175.632 174.900 0.151 0.000 1.364 101 G CA 0.544 45.710 45.100 0.110 0.000 0.888 101 G HN 0.982 nan 8.290 nan 0.000 0.566 102 N N 0.688 119.539 118.700 0.250 0.000 2.205 102 N HA 0.014 4.759 4.740 0.008 0.000 0.186 102 N C 2.542 178.295 175.510 0.405 0.000 1.015 102 N CA 2.719 56.017 53.050 0.413 0.000 0.862 102 N CB -0.551 38.221 38.487 0.475 0.000 0.986 102 N HN 1.016 nan 8.380 nan 0.000 0.429 103 E N 0.870 121.226 120.200 0.259 0.000 2.031 103 E HA 0.016 4.370 4.350 0.008 0.000 0.193 103 E C 2.113 178.723 176.600 0.016 0.000 0.994 103 E CA 1.501 58.020 56.400 0.197 0.000 0.800 103 E CB -1.090 28.754 29.700 0.241 0.000 0.752 103 E HN 0.420 nan 8.360 nan 0.000 0.447 104 A N -0.436 122.249 122.820 -0.224 0.000 1.933 104 A HA 0.088 4.413 4.320 0.008 0.000 0.218 104 A C 2.199 179.546 177.584 -0.395 0.000 1.175 104 A CA 1.640 53.136 52.037 -0.901 0.000 0.628 104 A CB -0.571 17.608 19.000 -1.369 0.000 0.814 104 A HN 0.561 nan 8.150 nan 0.000 0.444 105 F N 0.925 120.741 119.950 -0.223 0.000 2.134 105 F HA -0.107 4.425 4.527 0.007 0.000 0.299 105 F C 2.080 177.925 175.800 0.076 0.000 1.097 105 F CA 2.044 59.998 58.000 -0.077 0.000 1.264 105 F CB -0.215 38.783 39.000 -0.003 0.000 1.001 105 F HN 0.196 nan 8.300 nan 0.000 0.479 106 K N 0.964 121.448 120.400 0.140 0.000 2.097 106 K HA -0.180 4.145 4.320 0.008 0.000 0.206 106 K C 1.854 178.376 176.600 -0.130 0.000 1.049 106 K CA 1.994 58.297 56.287 0.027 0.000 0.933 106 K CB -0.439 32.124 32.500 0.105 0.000 0.717 106 K HN 0.471 nan 8.250 nan 0.000 0.442 107 E N -0.205 119.925 120.200 -0.117 0.000 2.072 107 E HA -0.144 4.211 4.350 0.008 0.000 0.190 107 E C 1.906 178.421 176.600 -0.141 0.000 0.982 107 E CA 1.025 57.369 56.400 -0.093 0.000 0.803 107 E CB -0.219 29.464 29.700 -0.029 0.000 0.755 107 E HN 0.212 nan 8.360 nan 0.000 0.453 108 L N 1.346 122.444 121.223 -0.210 0.000 2.027 108 L HA -0.125 4.219 4.340 0.008 0.000 0.206 108 L C 2.099 178.793 176.870 -0.294 0.000 1.074 108 L CA 1.416 56.139 54.840 -0.195 0.000 0.745 108 L CB -0.454 41.505 42.059 -0.166 0.000 0.898 108 L HN 0.133 nan 8.230 nan 0.000 0.433 109 L N -0.498 120.441 121.223 -0.475 0.000 2.013 109 L HA -0.276 4.068 4.340 0.008 0.000 0.212 109 L C 2.243 178.775 176.870 -0.564 0.000 1.073 109 L CA 2.037 56.496 54.840 -0.633 0.000 0.753 109 L CB -0.633 41.026 42.059 -0.667 0.000 0.890 109 L HN 0.417 nan 8.230 nan 0.000 0.432 110 D N -0.333 119.877 120.400 -0.315 0.000 2.117 110 D HA -0.130 4.515 4.640 0.008 0.000 0.198 110 D C 2.141 178.368 176.300 -0.122 0.000 0.982 110 D CA 1.365 55.262 54.000 -0.172 0.000 0.828 110 D CB 0.000 40.739 40.800 -0.102 0.000 0.967 110 D HN 0.380 nan 8.370 nan 0.000 0.464 111 A N 1.169 123.919 122.820 -0.118 0.000 1.933 111 A HA -0.054 4.271 4.320 0.008 0.000 0.218 111 A C 2.296 179.836 177.584 -0.074 0.000 1.175 111 A CA 2.130 54.129 52.037 -0.064 0.000 0.628 111 A CB -0.547 18.432 19.000 -0.035 0.000 0.814 111 A HN 0.243 nan 8.150 nan 0.000 0.444 112 A N -0.685 122.047 122.820 -0.145 0.000 1.841 112 A HA -0.148 4.177 4.320 0.008 0.000 0.214 112 A C 1.915 179.468 177.584 -0.051 0.000 1.195 112 A CA 1.522 53.479 52.037 -0.133 0.000 0.611 112 A CB -1.087 17.774 19.000 -0.232 0.000 0.835 112 A HN 0.728 nan 8.150 nan 0.000 0.443 113 H N -0.838 118.154 119.070 -0.130 0.000 2.422 113 H HA -0.150 4.411 4.556 0.008 0.000 0.298 113 H C 2.303 177.568 175.328 -0.106 0.000 1.098 113 H CA 1.301 57.267 56.048 -0.136 0.000 1.315 113 H CB 0.045 29.723 29.762 -0.139 0.000 1.382 113 H HN 0.604 nan 8.280 nan 0.000 0.523 114 Q N 0.405 120.227 119.800 0.036 0.000 2.170 114 Q HA -0.086 4.259 4.340 0.008 0.000 0.203 114 Q C 1.685 177.679 176.000 -0.011 0.000 0.976 114 Q CA 0.975 56.779 55.803 0.002 0.000 0.858 114 Q CB 0.183 28.918 28.738 -0.006 0.000 0.907 114 Q HN 0.403 nan 8.270 nan 0.000 0.433 115 R N 0.117 120.609 120.500 -0.014 0.000 2.334 115 R HA 0.066 4.411 4.340 0.008 0.000 0.216 115 R C 0.003 176.279 176.300 -0.039 0.000 0.905 115 R CA 0.087 56.173 56.100 -0.023 0.000 1.064 115 R CB 0.189 30.477 30.300 -0.021 0.000 1.046 115 R HN 0.169 nan 8.270 nan 0.000 0.508 116 N N 0.814 119.489 118.700 -0.042 0.000 2.754 116 N HA -0.179 4.566 4.740 0.008 0.000 0.248 116 N C -1.273 174.175 175.510 -0.102 0.000 1.093 116 N CA 0.531 53.533 53.050 -0.079 0.000 0.699 116 N CB -1.012 37.427 38.487 -0.080 0.000 1.016 116 N HN 0.241 nan 8.380 nan 0.000 0.552 117 I N 0.537 121.060 120.570 -0.078 0.000 2.378 117 I HA 0.281 4.456 4.170 0.008 0.000 0.291 117 I C 0.611 176.653 176.117 -0.125 0.000 0.992 117 I CA -0.950 60.278 61.300 -0.120 0.000 1.154 117 I CB 1.400 39.340 38.000 -0.100 0.000 1.315 117 I HN -0.070 nan 8.210 nan 0.000 0.448 118 K N 4.840 125.079 120.400 -0.268 0.000 2.120 118 K HA 0.616 4.941 4.320 0.008 0.000 0.245 118 K C -0.660 175.815 176.600 -0.209 0.000 1.024 118 K CA -0.576 55.523 56.287 -0.313 0.000 0.906 118 K CB 1.718 33.763 32.500 -0.759 0.000 1.051 118 K HN 0.279 nan 8.250 nan 0.000 0.491 119 V N 1.202 121.039 119.914 -0.128 0.000 2.612 119 V HA 0.235 4.360 4.120 0.008 0.000 0.301 119 V C -0.734 175.327 176.094 -0.055 0.000 1.059 119 V CA -0.971 61.239 62.300 -0.151 0.000 0.886 119 V CB 2.068 33.793 31.823 -0.164 0.000 1.007 119 V HN 0.402 nan 8.190 nan 0.000 0.426 120 V N 6.071 125.949 119.914 -0.060 0.000 2.495 120 V HA 0.553 4.678 4.120 0.008 0.000 0.298 120 V C -0.194 175.815 176.094 -0.141 0.000 1.031 120 V CA -0.504 61.796 62.300 0.000 0.000 0.871 120 V CB 1.943 33.905 31.823 0.233 0.000 0.988 120 V HN 0.653 nan 8.190 nan 0.000 0.432 121 L N 2.758 123.806 121.223 -0.292 0.000 2.352 121 L HA 0.589 4.934 4.340 0.008 0.000 0.269 121 L C -0.205 176.550 176.870 -0.192 0.000 1.034 121 L CA -0.671 53.938 54.840 -0.385 0.000 0.806 121 L CB 1.516 43.122 42.059 -0.756 0.000 1.244 121 L HN 0.522 nan 8.230 nan 0.000 0.447 122 D N 0.926 121.204 120.400 -0.203 0.000 2.249 122 D HA 0.327 4.971 4.640 0.008 0.000 0.246 122 D C -0.207 176.062 176.300 -0.050 0.000 1.114 122 D CA -0.058 53.874 54.000 -0.113 0.000 0.854 122 D CB 1.853 42.506 40.800 -0.245 0.000 1.132 122 D HN 0.612 nan 8.370 nan 0.000 0.461 123 G N 2.490 111.256 108.800 -0.057 0.000 2.468 123 G HA2 0.408 4.373 3.960 0.008 0.000 0.320 123 G HA3 0.408 4.373 3.960 0.008 0.000 0.320 123 G C -0.341 173.925 174.900 -1.055 0.000 1.137 123 G CA -0.511 44.171 45.100 -0.698 0.000 0.984 123 G HN 0.361 nan 8.290 nan 0.000 0.462 124 V N 3.903 123.383 119.914 -0.723 0.000 2.221 124 V HA 0.215 4.340 4.120 0.008 0.000 0.258 124 V C 0.146 176.070 176.094 -0.284 0.000 1.179 124 V CA -0.173 61.864 62.300 -0.439 0.000 1.022 124 V CB -0.793 30.915 31.823 -0.193 0.000 1.228 124 V HN 0.770 nan 8.190 nan 0.000 0.487 125 F N 0.952 120.872 119.950 -0.050 0.000 2.664 125 F HA 0.204 4.735 4.527 0.007 0.000 0.303 125 F C 1.956 177.794 175.800 0.064 0.000 1.092 125 F CA -0.072 57.897 58.000 -0.052 0.000 1.305 125 F CB 0.168 39.100 39.000 -0.113 0.000 1.054 125 F HN 0.453 nan 8.300 nan 0.000 0.565 126 N N 0.464 119.202 118.700 0.063 0.000 2.415 126 N HA -0.054 4.690 4.740 0.008 0.000 0.176 126 N C -0.332 175.424 175.510 0.411 0.000 1.042 126 N CA 0.559 53.755 53.050 0.244 0.000 0.902 126 N CB 0.231 38.743 38.487 0.041 0.000 0.986 126 N HN 0.430 nan 8.380 nan 0.000 0.447 127 H N -2.970 116.307 119.070 0.345 0.000 3.003 127 H HA 0.385 4.946 4.556 0.008 0.000 0.327 127 H C -0.097 175.288 175.328 0.095 0.000 1.353 127 H CA -0.675 55.432 56.048 0.098 0.000 1.142 127 H CB 0.971 30.750 29.762 0.028 0.000 1.864 127 H HN -0.085 nan 8.280 nan 0.000 0.529 128 S N 0.935 116.581 115.700 -0.089 0.000 3.375 128 S HA 0.742 5.217 4.470 0.008 0.000 0.178 128 S C 0.135 174.744 174.600 0.017 0.000 0.868 128 S CA 0.371 58.552 58.200 -0.032 0.000 1.129 128 S CB 0.026 63.034 63.200 -0.321 0.000 1.035 128 S HN 1.414 nan 8.310 nan 0.000 0.840 129 S N -0.575 115.112 115.700 -0.022 0.000 2.655 129 S HA 0.550 5.025 4.470 0.008 0.000 0.266 129 S C -0.474 174.133 174.600 0.011 0.000 1.149 129 S CA -0.877 57.346 58.200 0.038 0.000 0.818 129 S CB 1.157 64.497 63.200 0.233 0.000 1.130 129 S HN 0.410 nan 8.310 nan 0.000 0.476 130 R N 0.084 120.647 120.500 0.105 0.000 2.275 130 R HA 0.289 4.634 4.340 0.008 0.000 0.199 130 R C 1.934 178.467 176.300 0.389 0.000 0.989 130 R CA 1.164 57.422 56.100 0.262 0.000 1.016 130 R CB -0.510 29.896 30.300 0.178 0.000 0.918 130 R HN 0.768 nan 8.270 nan 0.000 0.473 131 G N -0.142 108.878 108.800 0.366 0.000 2.662 131 G HA2 -0.106 3.858 3.960 0.008 0.000 0.212 131 G HA3 -0.106 3.858 3.960 0.008 0.000 0.212 131 G C 0.083 175.057 174.900 0.123 0.000 1.141 131 G CA -0.507 44.813 45.100 0.366 0.000 0.797 131 G HN 0.211 nan 8.290 nan 0.000 0.531 132 F N 2.215 122.181 119.950 0.026 0.000 2.580 132 F HA 0.115 4.647 4.527 0.008 0.000 0.398 132 F C 1.375 177.209 175.800 0.057 0.000 1.023 132 F CA -1.415 56.594 58.000 0.015 0.000 1.188 132 F CB 0.281 39.422 39.000 0.236 0.000 1.005 132 F HN 0.110 nan 8.300 nan 0.000 0.546 133 F N 6.323 125.789 119.950 -0.807 0.000 2.053 133 F HA -0.366 4.166 4.527 0.008 0.000 0.295 133 F C 1.551 176.873 175.800 -0.797 0.000 1.102 133 F CA 2.372 59.867 58.000 -0.841 0.000 1.225 133 F CB -0.985 37.333 39.000 -1.137 0.000 0.961 133 F HN 0.523 nan 8.300 nan 0.000 0.495 134 F N -1.618 117.702 119.950 -1.051 0.000 2.293 134 F HA -0.139 4.393 4.527 0.008 0.000 0.300 134 F C 2.235 177.986 175.800 -0.082 0.000 1.086 134 F CA 1.100 58.566 58.000 -0.889 0.000 1.375 134 F CB -0.940 37.512 39.000 -0.912 0.000 1.045 134 F HN 0.047 nan 8.300 nan 0.000 0.516 135 F N 0.132 120.189 119.950 0.179 0.000 2.234 135 F HA -0.098 4.434 4.527 0.008 0.000 0.296 135 F C 2.700 178.365 175.800 -0.225 0.000 1.089 135 F CA 1.424 59.269 58.000 -0.259 0.000 1.343 135 F CB -0.689 38.072 39.000 -0.398 0.000 1.040 135 F HN 0.013 nan 8.300 nan 0.000 0.498 136 H N -0.081 118.868 119.070 -0.201 0.000 2.319 136 H HA -0.225 4.335 4.556 0.008 0.000 0.297 136 H C 2.228 177.376 175.328 -0.301 0.000 1.097 136 H CA 2.416 58.332 56.048 -0.219 0.000 1.285 136 H CB -0.805 28.844 29.762 -0.188 0.000 1.368 136 H HN 0.306 nan 8.280 nan 0.000 0.495 137 D N -0.370 119.731 120.400 -0.499 0.000 2.182 137 D HA -0.129 4.516 4.640 0.008 0.000 0.201 137 D C 2.165 178.325 176.300 -0.234 0.000 0.986 137 D CA 1.411 55.188 54.000 -0.373 0.000 0.847 137 D CB 0.119 40.769 40.800 -0.250 0.000 0.942 137 D HN 0.385 nan 8.370 nan 0.000 0.467 138 V N 1.039 120.797 119.914 -0.261 0.000 2.453 138 V HA -0.167 3.958 4.120 0.008 0.000 0.247 138 V C 2.672 178.571 176.094 -0.326 0.000 1.048 138 V CA 0.761 62.918 62.300 -0.239 0.000 1.049 138 V CB -0.293 31.317 31.823 -0.355 0.000 0.672 138 V HN 0.250 nan 8.190 nan 0.000 0.457 139 L N -0.351 120.578 121.223 -0.491 0.000 2.217 139 L HA -0.072 4.273 4.340 0.008 0.000 0.211 139 L C 2.621 179.354 176.870 -0.228 0.000 1.107 139 L CA 1.134 55.772 54.840 -0.338 0.000 0.783 139 L CB -0.433 41.452 42.059 -0.290 0.000 0.919 139 L HN 0.373 nan 8.230 nan 0.000 0.442 140 E N -0.046 119.968 120.200 -0.309 0.000 2.140 140 E HA -0.067 4.288 4.350 0.008 0.000 0.191 140 E C 1.073 177.587 176.600 -0.143 0.000 0.973 140 E CA 0.866 57.122 56.400 -0.240 0.000 0.829 140 E CB -0.049 29.443 29.700 -0.347 0.000 0.781 140 E HN 0.618 nan 8.360 nan 0.000 0.466 141 N N -0.033 118.589 118.700 -0.131 0.000 2.205 141 N HA 0.133 4.877 4.740 0.008 0.000 0.201 141 N C 0.940 176.390 175.510 -0.101 0.000 1.128 141 N CA 0.209 53.212 53.050 -0.077 0.000 0.867 141 N CB 1.324 39.785 38.487 -0.043 0.000 0.996 141 N HN 0.086 nan 8.380 nan 0.000 0.503 142 G N 2.229 110.962 108.800 -0.110 0.000 2.627 142 G HA2 -0.325 3.639 3.960 0.008 0.000 0.312 142 G HA3 -0.325 3.639 3.960 0.008 0.000 0.312 142 G C -1.564 173.062 174.900 -0.456 0.000 1.299 142 G CA 0.291 45.272 45.100 -0.198 0.000 0.989 142 G HN 0.108 nan 8.290 nan 0.000 0.547 143 P HA -0.093 nan 4.420 nan 0.000 0.217 143 P C 1.392 178.381 177.300 -0.519 0.000 1.148 143 P CA 1.876 64.357 63.100 -1.032 0.000 0.834 143 P CB -0.186 30.735 31.700 -1.299 0.000 0.783 144 H N -1.684 117.215 119.070 -0.286 0.000 2.548 144 H HA 0.127 4.688 4.556 0.008 0.000 0.268 144 H C 0.845 176.082 175.328 -0.151 0.000 0.975 144 H CA 0.460 56.396 56.048 -0.186 0.000 1.195 144 H CB -0.349 29.311 29.762 -0.170 0.000 1.397 144 H HN 0.127 nan 8.280 nan 0.000 0.572 145 S N 2.791 118.472 115.700 -0.031 0.000 2.549 145 S HA 0.012 4.487 4.470 0.008 0.000 0.286 145 S C -1.147 173.380 174.600 -0.122 0.000 1.314 145 S CA -1.159 57.023 58.200 -0.032 0.000 1.062 145 S CB 1.110 64.345 63.200 0.059 0.000 0.865 145 S HN 0.150 nan 8.310 nan 0.000 0.498 146 P HA 0.070 nan 4.420 nan 0.000 0.241 146 P C 0.349 177.252 177.300 -0.661 0.000 1.191 146 P CA 0.608 63.336 63.100 -0.620 0.000 0.771 146 P CB 0.074 31.175 31.700 -0.998 0.000 0.929 147 W N -0.460 120.803 121.300 -0.061 0.000 3.123 147 W HA 0.162 4.827 4.660 0.008 0.000 0.383 147 W C 1.419 178.048 176.519 0.184 0.000 1.102 147 W CA -0.339 56.931 57.345 -0.124 0.000 1.865 147 W CB -0.343 28.908 29.460 -0.349 0.000 1.111 147 W HN -0.224 nan 8.180 nan 0.000 0.621 148 V N 1.446 121.568 119.914 0.347 0.000 2.313 148 V HA -0.371 3.754 4.120 0.008 0.000 0.253 148 V C 1.984 178.329 176.094 0.419 0.000 1.070 148 V CA 2.541 65.089 62.300 0.413 0.000 1.057 148 V CB -0.747 31.284 31.823 0.347 0.000 0.653 148 V HN 0.183 nan 8.190 nan 0.000 0.450 149 N N -1.606 117.296 118.700 0.336 0.000 2.461 149 N HA -0.091 4.654 4.740 0.008 0.000 0.188 149 N C 1.120 176.804 175.510 0.289 0.000 1.134 149 N CA 0.301 53.519 53.050 0.279 0.000 0.878 149 N CB -0.176 38.438 38.487 0.211 0.000 0.972 149 N HN 0.543 nan 8.380 nan 0.000 0.456 150 W N -0.488 120.786 121.300 -0.044 0.000 2.678 150 W HA 0.250 4.916 4.660 0.009 0.000 0.256 150 W C -0.087 176.084 176.519 -0.580 0.000 1.280 150 W CA 0.147 57.268 57.345 -0.373 0.000 1.345 150 W CB -0.154 28.942 29.460 -0.607 0.000 1.118 150 W HN -0.054 nan 8.180 nan 0.000 0.629 151 F N -0.933 119.236 119.950 0.365 0.000 2.900 151 F HA 0.409 4.941 4.527 0.008 0.000 0.375 151 F C 0.375 176.276 175.800 0.169 0.000 1.258 151 F CA -1.438 56.702 58.000 0.233 0.000 1.094 151 F CB 0.171 39.345 39.000 0.290 0.000 1.505 151 F HN -0.609 nan 8.300 nan 0.000 0.510 152 K N 1.053 121.683 120.400 0.383 0.000 2.682 152 K HA 0.419 4.744 4.320 0.008 0.000 0.189 152 K C -1.426 175.284 176.600 0.184 0.000 1.062 152 K CA -0.229 56.195 56.287 0.228 0.000 0.997 152 K CB 0.503 33.114 32.500 0.186 0.000 1.405 152 K HN 0.225 nan 8.250 nan 0.000 0.588 153 I N 1.582 122.229 120.570 0.129 0.000 2.575 153 I HA -0.011 4.164 4.170 0.008 0.000 0.285 153 I C 1.307 177.356 176.117 -0.112 0.000 1.085 153 I CA 0.533 61.807 61.300 -0.043 0.000 1.403 153 I CB 0.824 38.665 38.000 -0.265 0.000 1.409 153 I HN 0.438 nan 8.210 nan 0.000 0.557 154 E N 2.987 123.088 120.200 -0.164 0.000 2.434 154 E HA 0.365 4.720 4.350 0.008 0.000 0.207 154 E C 0.483 176.970 176.600 -0.187 0.000 0.929 154 E CA 0.010 56.337 56.400 -0.123 0.000 1.001 154 E CB 0.980 30.640 29.700 -0.067 0.000 1.016 154 E HN 0.829 nan 8.360 nan 0.000 0.502 155 G N 0.440 109.025 108.800 -0.358 0.000 2.356 155 G HA2 0.328 4.293 3.960 0.008 0.000 0.294 155 G HA3 0.328 4.293 3.960 0.008 0.000 0.294 155 G C -2.195 172.396 174.900 -0.514 0.000 1.423 155 G CA -1.071 43.813 45.100 -0.361 0.000 0.806 155 G HN 0.004 nan 8.290 nan 0.000 0.527 156 W N 0.799 122.119 121.300 0.033 0.000 2.706 156 W HA 0.681 5.346 4.660 0.008 0.000 0.346 156 W C -1.523 175.009 176.519 0.022 0.000 1.071 156 W CA -1.453 55.905 57.345 0.022 0.000 1.206 156 W CB 1.377 30.835 29.460 -0.003 0.000 1.413 156 W HN 0.549 nan 8.180 nan 0.000 0.542 157 P HA 0.469 nan 4.420 nan 0.000 0.280 157 P C -1.064 176.357 177.300 0.201 0.000 1.272 157 P CA -0.484 62.803 63.100 0.311 0.000 0.819 157 P CB 1.354 33.155 31.700 0.168 0.000 1.122 158 L N 0.146 121.505 121.223 0.227 0.000 2.399 158 L HA 0.332 4.677 4.340 0.008 0.000 0.266 158 L C 0.876 177.837 176.870 0.150 0.000 1.114 158 L CA -0.275 54.677 54.840 0.186 0.000 0.804 158 L CB 1.015 43.208 42.059 0.222 0.000 1.146 158 L HN 0.414 nan 8.230 nan 0.000 0.451 159 S N 2.401 118.194 115.700 0.154 0.000 2.130 159 S HA 0.323 4.798 4.470 0.008 0.000 0.165 159 S C -1.405 173.295 174.600 0.167 0.000 1.677 159 S CA -1.404 56.864 58.200 0.113 0.000 1.227 159 S CB 0.537 63.791 63.200 0.090 0.000 1.115 159 S HN 0.431 nan 8.310 nan 0.000 0.452 160 P HA -0.114 nan 4.420 nan 0.000 0.215 160 P C 0.366 177.637 177.300 -0.049 0.000 1.157 160 P CA 1.447 64.683 63.100 0.226 0.000 0.868 160 P CB 0.011 31.861 31.700 0.250 0.000 0.788 161 Y N -1.780 118.601 120.300 0.134 0.000 2.430 161 Y HA 0.278 4.833 4.550 0.008 0.000 0.248 161 Y C 1.022 176.980 175.900 0.097 0.000 1.108 161 Y CA -0.418 57.746 58.100 0.108 0.000 1.264 161 Y CB -0.322 38.193 38.460 0.091 0.000 1.172 161 Y HN -0.073 nan 8.280 nan 0.000 0.520 162 N N 0.591 119.430 118.700 0.231 0.000 2.558 162 N HA 0.196 4.941 4.740 0.008 0.000 0.233 162 N C 1.258 176.916 175.510 0.247 0.000 1.038 162 N CA -0.029 53.160 53.050 0.232 0.000 0.934 162 N CB 0.630 39.246 38.487 0.215 0.000 1.175 162 N HN 0.353 nan 8.380 nan 0.000 0.512 163 G N 1.762 110.665 108.800 0.172 0.000 2.586 163 G HA2 -0.228 3.737 3.960 0.008 0.000 0.215 163 G HA3 -0.228 3.737 3.960 0.008 0.000 0.215 163 G C 0.995 175.950 174.900 0.092 0.000 1.128 163 G CA 0.245 45.410 45.100 0.108 0.000 0.774 163 G HN 0.661 nan 8.290 nan 0.000 0.543 164 E N -0.899 119.388 120.200 0.146 0.000 2.427 164 E HA 0.090 4.445 4.350 0.008 0.000 0.196 164 E C -0.365 176.057 176.600 -0.296 0.000 1.028 164 E CA -0.050 56.299 56.400 -0.084 0.000 0.864 164 E CB 0.071 29.676 29.700 -0.158 0.000 0.813 164 E HN 0.340 nan 8.360 nan 0.000 0.514 165 F N 0.543 120.497 119.950 0.007 0.000 2.593 165 F HA 0.404 4.936 4.527 0.008 0.000 0.320 165 F C -2.170 173.618 175.800 -0.021 0.000 1.060 165 F CA -3.181 54.820 58.000 0.002 0.000 0.940 165 F CB 1.004 40.017 39.000 0.021 0.000 1.268 165 F HN -0.188 nan 8.300 nan 0.000 0.475 166 P HA 0.108 nan 4.420 nan 0.000 0.271 166 P C -0.003 177.295 177.300 -0.002 0.000 1.220 166 P CA 0.145 63.265 63.100 0.034 0.000 0.768 166 P CB 1.294 33.004 31.700 0.017 0.000 0.848 167 A N 4.304 127.050 122.820 -0.123 0.000 1.917 167 A HA -0.234 4.091 4.320 0.008 0.000 0.219 167 A C 1.251 178.708 177.584 -0.212 0.000 1.182 167 A CA 1.704 53.570 52.037 -0.284 0.000 0.633 167 A CB -1.075 17.520 19.000 -0.675 0.000 0.819 167 A HN 0.675 nan 8.150 nan 0.000 0.448 168 N N -3.048 115.543 118.700 -0.182 0.000 2.850 168 N HA -0.182 4.562 4.740 0.008 0.000 0.249 168 N C -0.609 174.877 175.510 -0.041 0.000 1.060 168 N CA 1.655 54.644 53.050 -0.102 0.000 0.825 168 N CB -1.877 36.570 38.487 -0.068 0.000 1.132 168 N HN 0.920 nan 8.380 nan 0.000 0.564 169 Y N -3.332 116.935 120.300 -0.056 0.000 2.513 169 Y HA 0.645 5.199 4.550 0.008 0.000 0.340 169 Y C -0.332 175.561 175.900 -0.011 0.000 1.055 169 Y CA -1.241 56.845 58.100 -0.023 0.000 1.020 169 Y CB 0.714 39.207 38.460 0.055 0.000 1.301 169 Y HN -0.187 nan 8.280 nan 0.000 0.453 170 V N 3.568 123.595 119.914 0.188 0.000 2.479 170 V HA 0.554 4.679 4.120 0.008 0.000 0.281 170 V C 0.711 176.883 176.094 0.131 0.000 1.031 170 V CA 0.728 63.088 62.300 0.100 0.000 1.038 170 V CB 0.325 32.213 31.823 0.107 0.000 0.981 170 V HN 1.061 nan 8.190 nan 0.000 0.478 171 G N 4.152 112.963 108.800 0.019 0.000 2.448 171 G HA2 0.420 4.384 3.960 0.008 0.000 0.324 171 G HA3 0.420 4.384 3.960 0.008 0.000 0.324 171 G C -0.591 174.310 174.900 0.003 0.000 1.203 171 G CA -0.746 44.362 45.100 0.014 0.000 0.954 171 G HN 0.843 nan 8.290 nan 0.000 0.480 172 W N 1.866 123.041 121.300 -0.208 0.000 2.435 172 W HA 0.215 4.880 4.660 0.008 0.000 0.337 172 W C 0.808 177.224 176.519 -0.171 0.000 1.300 172 W CA 0.718 57.911 57.345 -0.254 0.000 1.298 172 W CB 0.119 29.177 29.460 -0.670 0.000 1.217 172 W HN 1.470 nan 8.180 nan 0.000 0.565 173 A N 4.625 126.884 122.820 -0.935 0.000 2.826 173 A HA -0.160 4.165 4.320 0.008 0.000 0.274 173 A C 1.373 178.728 177.584 -0.382 0.000 1.443 173 A CA 2.134 53.686 52.037 -0.810 0.000 0.833 173 A CB -1.995 16.412 19.000 -0.987 0.000 1.023 173 A HN 2.472 nan 8.150 nan 0.000 0.600 174 G N -1.731 106.911 108.800 -0.264 0.000 2.160 174 G HA2 -0.292 3.673 3.960 0.008 0.000 0.251 174 G HA3 -0.292 3.673 3.960 0.008 0.000 0.251 174 G C -0.115 174.691 174.900 -0.156 0.000 1.008 174 G CA 0.795 45.788 45.100 -0.179 0.000 0.724 174 G HN 1.688 nan 8.290 nan 0.000 0.514 175 N N -0.013 118.600 118.700 -0.144 0.000 2.419 175 N HA 0.346 5.091 4.740 0.008 0.000 0.277 175 N C 1.658 177.101 175.510 -0.111 0.000 1.006 175 N CA -0.727 52.262 53.050 -0.102 0.000 0.923 175 N CB 0.585 39.040 38.487 -0.053 0.000 1.140 175 N HN 0.353 nan 8.380 nan 0.000 0.488 176 R N 2.374 122.797 120.500 -0.129 0.000 2.152 176 R HA -0.056 4.289 4.340 0.008 0.000 0.232 176 R C 1.532 177.821 176.300 -0.018 0.000 1.117 176 R CA 1.451 57.474 56.100 -0.129 0.000 0.981 176 R CB -0.108 30.092 30.300 -0.166 0.000 0.870 176 R HN 0.568 nan 8.270 nan 0.000 0.451 177 A N 0.987 123.754 122.820 -0.088 0.000 2.119 177 A HA 0.014 4.339 4.320 0.008 0.000 0.217 177 A C 1.068 178.480 177.584 -0.286 0.000 1.153 177 A CA 0.694 52.651 52.037 -0.133 0.000 0.692 177 A CB 0.176 19.163 19.000 -0.022 0.000 0.799 177 A HN 0.066 nan 8.150 nan 0.000 0.458 178 L N 1.422 122.491 121.223 -0.257 0.000 2.843 178 L HA 0.250 4.594 4.340 0.008 0.000 0.234 178 L C -2.670 174.118 176.870 -0.136 0.000 1.264 178 L CA -1.500 53.192 54.840 -0.246 0.000 1.052 178 L CB -0.247 41.648 42.059 -0.273 0.000 1.372 178 L HN 0.114 nan 8.230 nan 0.000 0.466 179 P HA 0.036 nan 4.420 nan 0.000 0.267 179 P C -0.056 177.124 177.300 -0.200 0.000 1.205 179 P CA 0.191 63.087 63.100 -0.341 0.000 0.765 179 P CB 1.100 32.024 31.700 -1.294 0.000 0.828 180 E N 2.377 122.588 120.200 0.019 0.000 2.349 180 E HA 0.250 4.605 4.350 0.008 0.000 0.262 180 E C -0.216 176.425 176.600 0.068 0.000 1.088 180 E CA -0.390 56.089 56.400 0.131 0.000 0.899 180 E CB 0.460 30.306 29.700 0.245 0.000 1.044 180 E HN 0.388 nan 8.360 nan 0.000 0.420 181 F N 1.328 121.300 119.950 0.037 0.000 2.379 181 F HA 0.116 4.648 4.527 0.008 0.000 0.332 181 F C 1.079 176.621 175.800 -0.430 0.000 1.096 181 F CA -0.676 57.162 58.000 -0.270 0.000 1.105 181 F CB 0.722 39.356 39.000 -0.609 0.000 1.189 181 F HN 0.299 nan 8.300 nan 0.000 0.515 182 N N 1.572 120.200 118.700 -0.120 0.000 2.868 182 N HA 0.076 4.820 4.740 0.008 0.000 0.252 182 N C 0.493 175.878 175.510 -0.208 0.000 1.130 182 N CA -0.044 52.953 53.050 -0.087 0.000 1.026 182 N CB -0.300 38.184 38.487 -0.005 0.000 1.335 182 N HN 0.489 nan 8.380 nan 0.000 0.516 183 H N 0.096 119.137 119.070 -0.049 0.000 2.489 183 H HA -0.047 4.514 4.556 0.008 0.000 0.293 183 H C 0.713 176.002 175.328 -0.065 0.000 1.066 183 H CA 1.070 57.047 56.048 -0.118 0.000 1.305 183 H CB 0.369 29.961 29.762 -0.284 0.000 1.386 183 H HN 0.479 nan 8.280 nan 0.000 0.551 184 D N 0.072 120.506 120.400 0.056 0.000 2.263 184 D HA -0.106 4.539 4.640 0.008 0.000 0.208 184 D C 0.608 176.902 176.300 -0.010 0.000 0.971 184 D CA 0.562 54.583 54.000 0.036 0.000 0.867 184 D CB -0.319 40.506 40.800 0.041 0.000 0.929 184 D HN 0.243 nan 8.370 nan 0.000 0.492 185 N N 1.274 119.934 118.700 -0.067 0.000 2.420 185 N HA -0.001 4.744 4.740 0.008 0.000 0.262 185 N C -1.690 173.723 175.510 -0.162 0.000 1.144 185 N CA -1.380 51.599 53.050 -0.118 0.000 0.952 185 N CB 1.541 39.906 38.487 -0.204 0.000 1.081 185 N HN -0.044 nan 8.380 nan 0.000 0.480 186 P HA -0.144 nan 4.420 nan 0.000 0.221 186 P C 0.377 177.578 177.300 -0.164 0.000 1.145 186 P CA 1.293 64.326 63.100 -0.111 0.000 0.795 186 P CB 0.551 32.214 31.700 -0.062 0.000 0.775 187 E N -0.097 119.978 120.200 -0.209 0.000 2.033 187 E HA -0.064 4.291 4.350 0.008 0.000 0.189 187 E C 2.225 178.455 176.600 -0.617 0.000 0.979 187 E CA 0.783 57.036 56.400 -0.245 0.000 0.802 187 E CB -0.613 29.075 29.700 -0.021 0.000 0.763 187 E HN 0.039 nan 8.360 nan 0.000 0.449 188 V N 1.853 121.165 119.914 -1.005 0.000 2.324 188 V HA -0.313 3.811 4.120 0.008 0.000 0.250 188 V C 2.542 178.297 176.094 -0.565 0.000 1.060 188 V CA 2.259 63.889 62.300 -1.116 0.000 1.042 188 V CB -0.608 30.692 31.823 -0.872 0.000 0.650 188 V HN 0.229 nan 8.190 nan 0.000 0.450 189 R N 0.302 120.597 120.500 -0.341 0.000 2.073 189 R HA -0.244 4.100 4.340 0.008 0.000 0.234 189 R C 2.339 178.448 176.300 -0.319 0.000 1.134 189 R CA 2.145 58.107 56.100 -0.230 0.000 0.952 189 R CB -0.348 29.840 30.300 -0.186 0.000 0.850 189 R HN 0.516 nan 8.270 nan 0.000 0.433 190 E N -0.239 119.810 120.200 -0.252 0.000 2.118 190 E HA -0.246 4.109 4.350 0.008 0.000 0.195 190 E C 1.674 178.181 176.600 -0.155 0.000 0.992 190 E CA 1.623 57.912 56.400 -0.186 0.000 0.804 190 E CB -0.489 29.153 29.700 -0.097 0.000 0.741 190 E HN 0.559 nan 8.360 nan 0.000 0.458 191 Y N 0.117 120.241 120.300 -0.293 0.000 2.181 191 Y HA -0.174 4.381 4.550 0.008 0.000 0.288 191 Y C 1.884 177.596 175.900 -0.314 0.000 1.146 191 Y CA 1.688 59.657 58.100 -0.218 0.000 1.164 191 Y CB -0.026 38.279 38.460 -0.258 0.000 0.982 191 Y HN 0.068 nan 8.280 nan 0.000 0.515 192 I N -0.209 120.122 120.570 -0.397 0.000 2.179 192 I HA -0.336 3.839 4.170 0.008 0.000 0.242 192 I C 2.223 177.963 176.117 -0.628 0.000 1.088 192 I CA 1.449 62.366 61.300 -0.638 0.000 1.357 192 I CB -1.222 36.467 38.000 -0.519 0.000 1.051 192 I HN 0.365 nan 8.210 nan 0.000 0.409 193 M N 0.399 119.708 119.600 -0.486 0.000 2.108 193 M HA -0.209 4.276 4.480 0.008 0.000 0.261 193 M C 2.144 178.239 176.300 -0.342 0.000 1.066 193 M CA 1.605 56.638 55.300 -0.444 0.000 1.107 193 M CB -1.333 31.042 32.600 -0.375 0.000 1.356 193 M HN 0.318 nan 8.290 nan 0.000 0.406 194 E N -0.029 120.009 120.200 -0.269 0.000 2.153 194 E HA -0.120 4.234 4.350 0.008 0.000 0.194 194 E C 2.103 178.636 176.600 -0.112 0.000 0.988 194 E CA 0.834 57.152 56.400 -0.137 0.000 0.811 194 E CB -0.109 29.546 29.700 -0.075 0.000 0.746 194 E HN 0.496 nan 8.360 nan 0.000 0.466 195 I N 1.109 121.483 120.570 -0.327 0.000 2.163 195 I HA -0.256 3.919 4.170 0.008 0.000 0.240 195 I C 2.625 178.756 176.117 0.025 0.000 1.081 195 I CA 0.885 61.972 61.300 -0.356 0.000 1.353 195 I CB -0.378 37.310 38.000 -0.519 0.000 1.054 195 I HN 0.067 nan 8.210 nan 0.000 0.407 196 A N 0.623 123.342 122.820 -0.169 0.000 1.903 196 A HA -0.293 4.032 4.320 0.008 0.000 0.219 196 A C 2.186 179.944 177.584 0.290 0.000 1.191 196 A CA 2.187 54.194 52.037 -0.051 0.000 0.638 196 A CB -0.768 17.818 19.000 -0.689 0.000 0.823 196 A HN 0.489 nan 8.150 nan 0.000 0.451 197 E N -1.920 118.321 120.200 0.068 0.000 2.077 197 E HA -0.201 4.153 4.350 0.008 0.000 0.193 197 E C 1.877 178.586 176.600 0.182 0.000 0.989 197 E CA 1.354 57.817 56.400 0.105 0.000 0.800 197 E CB -0.354 29.356 29.700 0.017 0.000 0.746 197 E HN 0.773 nan 8.360 nan 0.000 0.452 198 Y N 0.242 120.581 120.300 0.065 0.000 2.040 198 Y HA -0.316 4.238 4.550 0.008 0.000 0.275 198 Y C 1.787 177.688 175.900 0.002 0.000 1.171 198 Y CA 2.031 60.120 58.100 -0.018 0.000 1.123 198 Y CB -0.590 37.791 38.460 -0.133 0.000 0.963 198 Y HN 0.094 nan 8.280 nan 0.000 0.493 199 W N 0.116 121.636 121.300 0.367 0.000 2.374 199 W HA -0.168 4.497 4.660 0.007 0.000 0.288 199 W C 2.314 178.957 176.519 0.207 0.000 1.218 199 W CA 1.052 58.560 57.345 0.271 0.000 1.245 199 W CB -0.400 29.283 29.460 0.372 0.000 1.126 199 W HN 0.121 nan 8.180 nan 0.000 0.545 200 L N 0.257 121.725 121.223 0.409 0.000 2.056 200 L HA -0.201 4.144 4.340 0.008 0.000 0.207 200 L C 2.401 179.374 176.870 0.171 0.000 1.078 200 L CA 1.337 56.341 54.840 0.274 0.000 0.749 200 L CB -0.716 41.503 42.059 0.266 0.000 0.901 200 L HN -0.053 nan 8.230 nan 0.000 0.433 201 K N -0.522 119.931 120.400 0.088 0.000 2.097 201 K HA -0.201 4.124 4.320 0.008 0.000 0.206 201 K C 2.071 178.670 176.600 -0.003 0.000 1.049 201 K CA 1.378 57.666 56.287 0.001 0.000 0.933 201 K CB -0.279 32.179 32.500 -0.070 0.000 0.717 201 K HN 0.125 nan 8.250 nan 0.000 0.442 202 F N 0.677 120.513 119.950 -0.189 0.000 2.250 202 F HA -0.181 4.351 4.527 0.007 0.000 0.301 202 F C 1.340 177.169 175.800 0.049 0.000 1.077 202 F CA 1.741 59.673 58.000 -0.114 0.000 1.348 202 F CB 0.230 39.206 39.000 -0.041 0.000 1.040 202 F HN 0.255 nan 8.300 nan 0.000 0.509 203 G N 0.148 109.123 108.800 0.291 0.000 2.227 203 G HA2 -0.168 3.797 3.960 0.008 0.000 0.168 203 G HA3 -0.168 3.797 3.960 0.008 0.000 0.168 203 G C 0.413 175.483 174.900 0.283 0.000 1.006 203 G CA -0.116 45.116 45.100 0.219 0.000 0.684 203 G HN 0.589 nan 8.290 nan 0.000 0.489 204 I N -1.659 119.105 120.570 0.322 0.000 2.938 204 I HA 0.480 4.655 4.170 0.008 0.000 0.285 204 I C 0.344 176.540 176.117 0.132 0.000 1.182 204 I CA -0.045 61.380 61.300 0.209 0.000 1.388 204 I CB 0.643 38.718 38.000 0.126 0.000 1.390 204 I HN -0.123 nan 8.210 nan 0.000 0.600 205 D N 2.916 123.375 120.400 0.098 0.000 2.369 205 D HA 0.331 4.976 4.640 0.008 0.000 0.211 205 D C 0.626 177.095 176.300 0.281 0.000 1.077 205 D CA 0.612 54.684 54.000 0.120 0.000 0.842 205 D CB 1.079 41.848 40.800 -0.052 0.000 0.947 205 D HN 0.931 nan 8.370 nan 0.000 0.509 206 G N 0.200 109.082 108.800 0.137 0.000 2.356 206 G HA2 0.119 4.083 3.960 0.008 0.000 0.266 206 G HA3 0.119 4.083 3.960 0.008 0.000 0.266 206 G C -2.077 172.774 174.900 -0.080 0.000 1.312 206 G CA -1.080 44.106 45.100 0.143 0.000 0.922 206 G HN 0.088 nan 8.290 nan 0.000 0.480 207 W N 0.851 122.235 121.300 0.140 0.000 2.683 207 W HA 0.720 5.384 4.660 0.007 0.000 0.329 207 W C 0.426 176.861 176.519 -0.141 0.000 1.037 207 W CA -0.808 56.591 57.345 0.089 0.000 1.232 207 W CB 1.915 31.552 29.460 0.296 0.000 1.390 207 W HN 0.457 nan 8.180 nan 0.000 0.465 208 R N 4.025 124.589 120.500 0.107 0.000 2.308 208 R HA 0.451 4.795 4.340 0.008 0.000 0.305 208 R C -0.949 175.275 176.300 -0.127 0.000 1.053 208 R CA -0.362 55.680 56.100 -0.096 0.000 0.957 208 R CB 0.624 30.900 30.300 -0.040 0.000 1.022 208 R HN 0.631 nan 8.270 nan 0.000 0.461 209 L N 4.093 125.083 121.223 -0.389 0.000 2.280 209 L HA 0.220 4.565 4.340 0.008 0.000 0.287 209 L C -0.162 176.402 176.870 -0.510 0.000 1.023 209 L CA -0.705 53.824 54.840 -0.518 0.000 0.819 209 L CB 1.538 43.047 42.059 -0.918 0.000 1.212 209 L HN 0.593 nan 8.230 nan 0.000 0.420 210 D N 2.509 122.659 120.400 -0.416 0.000 2.348 210 D HA 0.176 4.821 4.640 0.008 0.000 0.253 210 D C 0.625 176.616 176.300 -0.515 0.000 1.161 210 D CA -0.157 53.628 54.000 -0.358 0.000 0.876 210 D CB 1.023 41.694 40.800 -0.215 0.000 1.160 210 D HN 0.291 nan 8.370 nan 0.000 0.459 211 V N 5.028 124.554 119.914 -0.647 0.000 5.257 211 V HA -0.195 3.930 4.120 0.008 0.000 0.265 211 V C -1.148 174.294 176.094 -1.086 0.000 0.646 211 V CA 0.752 62.404 62.300 -1.080 0.000 0.650 211 V CB -1.451 29.824 31.823 -0.913 0.000 0.424 211 V HN 0.802 nan 8.190 nan 0.000 0.862 212 P HA -0.178 nan 4.420 nan 0.000 0.221 212 P C 1.383 178.451 177.300 -0.386 0.000 1.145 212 P CA 1.695 64.449 63.100 -0.576 0.000 0.795 212 P CB -0.087 30.978 31.700 -1.059 0.000 0.775 213 F N -0.316 119.405 119.950 -0.382 0.000 2.722 213 F HA 0.120 4.651 4.527 0.007 0.000 0.298 213 F C 1.595 177.466 175.800 0.118 0.000 1.175 213 F CA 0.274 58.201 58.000 -0.122 0.000 1.462 213 F CB -1.227 37.652 39.000 -0.202 0.000 1.111 213 F HN -0.194 nan 8.300 nan 0.000 0.592 214 E N 0.984 121.070 120.200 -0.189 0.000 2.250 214 E HA 0.097 4.452 4.350 0.008 0.000 0.192 214 E C 0.512 177.076 176.600 -0.060 0.000 0.986 214 E CA 0.278 56.690 56.400 0.020 0.000 0.849 214 E CB 0.005 29.709 29.700 0.007 0.000 0.797 214 E HN 0.376 nan 8.360 nan 0.000 0.482 215 I N 2.167 122.595 120.570 -0.237 0.000 2.329 215 I HA -0.000 4.175 4.170 0.008 0.000 0.295 215 I C 1.254 177.240 176.117 -0.217 0.000 1.109 215 I CA 0.478 61.408 61.300 -0.616 0.000 1.297 215 I CB 0.586 37.876 38.000 -1.185 0.000 1.433 215 I HN -0.216 nan 8.210 nan 0.000 0.509 216 K N 2.370 122.707 120.400 -0.105 0.000 2.367 216 K HA 0.135 4.460 4.320 0.008 0.000 0.194 216 K C 0.391 177.001 176.600 0.017 0.000 1.027 216 K CA 0.088 56.405 56.287 0.050 0.000 1.075 216 K CB 0.141 32.701 32.500 0.100 0.000 0.845 216 K HN 0.506 nan 8.250 nan 0.000 0.529 217 T N 5.139 119.657 114.554 -0.060 0.000 2.750 217 T HA -0.011 4.344 4.350 0.008 0.000 0.277 217 T C -2.226 172.502 174.700 0.047 0.000 0.996 217 T CA -0.710 61.395 62.100 0.008 0.000 1.195 217 T CB 0.105 68.998 68.868 0.041 0.000 0.963 217 T HN 0.133 nan 8.240 nan 0.000 0.516 218 P HA 0.165 nan 4.420 nan 0.000 0.269 218 P C 1.056 178.389 177.300 0.056 0.000 1.209 218 P CA 0.249 63.382 63.100 0.055 0.000 0.776 218 P CB 0.508 32.228 31.700 0.034 0.000 0.876 219 G N 1.922 110.760 108.800 0.063 0.000 2.212 219 G HA2 -0.383 3.582 3.960 0.008 0.000 0.266 219 G HA3 -0.383 3.582 3.960 0.008 0.000 0.266 219 G C 0.630 175.546 174.900 0.027 0.000 0.978 219 G CA 0.338 45.462 45.100 0.041 0.000 0.632 219 G HN 0.489 nan 8.290 nan 0.000 0.537 220 F N 0.273 120.137 119.950 -0.144 0.000 2.075 220 F HA 0.125 4.656 4.527 0.007 0.000 0.297 220 F C 2.390 178.029 175.800 -0.268 0.000 1.113 220 F CA 2.364 60.175 58.000 -0.315 0.000 1.218 220 F CB -0.332 38.319 39.000 -0.581 0.000 0.984 220 F HN 0.296 nan 8.300 nan 0.000 0.472 221 W N 0.645 122.170 121.300 0.374 0.000 2.678 221 W HA -0.100 4.564 4.660 0.007 0.000 0.256 221 W C 2.320 178.950 176.519 0.185 0.000 1.280 221 W CA 0.414 57.936 57.345 0.294 0.000 1.345 221 W CB -0.200 29.387 29.460 0.212 0.000 1.118 221 W HN 0.125 nan 8.180 nan 0.000 0.629 222 Q N 0.548 120.512 119.800 0.273 0.000 2.137 222 Q HA -0.161 4.184 4.340 0.008 0.000 0.198 222 Q C 1.741 177.813 176.000 0.121 0.000 0.960 222 Q CA 1.445 57.351 55.803 0.171 0.000 0.847 222 Q CB -1.011 27.784 28.738 0.094 0.000 0.915 222 Q HN 0.500 nan 8.270 nan 0.000 0.448 223 E N 0.526 120.748 120.200 0.037 0.000 2.077 223 E HA -0.169 4.186 4.350 0.008 0.000 0.193 223 E C 1.770 178.352 176.600 -0.030 0.000 0.989 223 E CA 0.596 56.962 56.400 -0.056 0.000 0.800 223 E CB -0.189 29.396 29.700 -0.192 0.000 0.746 223 E HN 0.266 nan 8.360 nan 0.000 0.452 224 F N 1.736 121.616 119.950 -0.117 0.000 2.091 224 F HA -0.219 4.312 4.527 0.007 0.000 0.299 224 F C 2.591 178.446 175.800 0.092 0.000 1.103 224 F CA 2.083 60.067 58.000 -0.027 0.000 1.228 224 F CB -0.129 39.013 39.000 0.237 0.000 0.984 224 F HN -0.085 nan 8.300 nan 0.000 0.477 225 R N 0.290 121.023 120.500 0.388 0.000 2.081 225 R HA -0.168 4.177 4.340 0.008 0.000 0.235 225 R C 1.901 178.270 176.300 0.115 0.000 1.131 225 R CA 2.011 58.279 56.100 0.281 0.000 0.960 225 R CB -0.560 29.905 30.300 0.275 0.000 0.856 225 R HN 0.272 nan 8.270 nan 0.000 0.436 226 D N 0.142 120.582 120.400 0.067 0.000 2.092 226 D HA -0.169 4.476 4.640 0.008 0.000 0.193 226 D C 2.090 178.380 176.300 -0.016 0.000 0.994 226 D CA 1.258 55.271 54.000 0.022 0.000 0.828 226 D CB -0.212 40.589 40.800 0.002 0.000 0.963 226 D HN 0.266 nan 8.370 nan 0.000 0.450 227 R N 0.173 120.628 120.500 -0.077 0.000 2.075 227 R HA -0.041 4.304 4.340 0.008 0.000 0.232 227 R C 2.379 178.625 176.300 -0.090 0.000 1.126 227 R CA 1.152 57.187 56.100 -0.108 0.000 0.963 227 R CB -0.720 29.464 30.300 -0.192 0.000 0.858 227 R HN 0.166 nan 8.270 nan 0.000 0.435 228 T N 1.708 116.182 114.554 -0.133 0.000 2.607 228 T HA -0.136 4.219 4.350 0.008 0.000 0.267 228 T C 1.741 176.479 174.700 0.063 0.000 1.049 228 T CA 1.363 63.437 62.100 -0.044 0.000 1.162 228 T CB -0.054 68.801 68.868 -0.023 0.000 0.863 228 T HN 0.136 nan 8.240 nan 0.000 0.424 229 K N 1.367 121.813 120.400 0.077 0.000 2.209 229 K HA 0.104 4.428 4.320 0.008 0.000 0.204 229 K C 2.478 179.117 176.600 0.064 0.000 1.048 229 K CA 1.019 57.362 56.287 0.093 0.000 0.940 229 K CB -0.705 31.852 32.500 0.095 0.000 0.729 229 K HN 0.387 nan 8.250 nan 0.000 0.451 230 A N 1.438 124.280 122.820 0.037 0.000 1.883 230 A HA -0.169 4.156 4.320 0.008 0.000 0.217 230 A C 2.162 179.765 177.584 0.031 0.000 1.186 230 A CA 1.444 53.495 52.037 0.024 0.000 0.624 230 A CB -0.416 18.586 19.000 0.002 0.000 0.822 230 A HN 0.122 nan 8.150 nan 0.000 0.444 231 I N -0.481 120.111 120.570 0.036 0.000 2.286 231 I HA -0.038 4.137 4.170 0.008 0.000 0.245 231 I C 0.662 176.816 176.117 0.062 0.000 1.104 231 I CA 0.983 62.311 61.300 0.046 0.000 1.397 231 I CB -0.376 37.660 38.000 0.059 0.000 1.072 231 I HN 0.373 nan 8.210 nan 0.000 0.417 232 N N 0.416 119.169 118.700 0.087 0.000 2.607 232 N HA 0.178 4.923 4.740 0.008 0.000 0.271 232 N C -2.175 173.410 175.510 0.125 0.000 1.142 232 N CA -1.757 51.354 53.050 0.102 0.000 0.810 232 N CB 1.543 40.104 38.487 0.124 0.000 1.306 232 N HN -0.141 nan 8.380 nan 0.000 0.536 233 P HA -0.095 nan 4.420 nan 0.000 0.223 233 P C 0.160 177.548 177.300 0.146 0.000 1.144 233 P CA 1.172 64.337 63.100 0.108 0.000 0.783 233 P CB 0.606 32.354 31.700 0.080 0.000 0.771 234 E N -0.651 119.660 120.200 0.184 0.000 2.444 234 E HA 0.258 4.613 4.350 0.008 0.000 0.191 234 E C 0.751 177.604 176.600 0.421 0.000 1.041 234 E CA -0.395 56.174 56.400 0.282 0.000 0.883 234 E CB 0.083 29.964 29.700 0.301 0.000 1.024 234 E HN 0.193 nan 8.360 nan 0.000 0.470 235 A N 1.105 124.122 122.820 0.329 0.000 2.401 235 A HA 0.162 4.487 4.320 0.008 0.000 0.259 235 A C -0.698 177.137 177.584 0.419 0.000 1.103 235 A CA -0.248 52.020 52.037 0.385 0.000 0.789 235 A CB 0.069 19.250 19.000 0.301 0.000 1.035 235 A HN 0.154 nan 8.150 nan 0.000 0.491 236 Y N 4.264 124.752 120.300 0.314 0.000 2.404 236 Y HA 0.441 4.995 4.550 0.007 0.000 0.344 236 Y C -0.594 175.400 175.900 0.157 0.000 0.970 236 Y CA -1.708 56.483 58.100 0.152 0.000 1.180 236 Y CB 0.589 39.120 38.460 0.118 0.000 1.138 236 Y HN 0.445 nan 8.280 nan 0.000 0.510 237 I N 8.759 129.283 120.570 -0.078 0.000 2.306 237 I HA 0.223 4.398 4.170 0.008 0.000 0.288 237 I C -0.660 175.100 176.117 -0.595 0.000 1.036 237 I CA -0.744 60.458 61.300 -0.164 0.000 1.221 237 I CB 0.467 38.567 38.000 0.167 0.000 1.385 237 I HN 0.300 nan 8.210 nan 0.000 0.472 238 V N 3.867 123.280 119.914 -0.835 0.000 2.384 238 V HA 0.733 4.858 4.120 0.008 0.000 0.287 238 V C 0.694 176.242 176.094 -0.910 0.000 1.020 238 V CA -0.794 60.977 62.300 -0.882 0.000 0.850 238 V CB 1.284 32.540 31.823 -0.945 0.000 0.987 238 V HN 0.796 nan 8.190 nan 0.000 0.436 239 G N 2.147 110.261 108.800 -1.143 0.000 2.353 239 G HA2 0.436 4.401 3.960 0.008 0.000 0.284 239 G HA3 0.436 4.401 3.960 0.008 0.000 0.284 239 G C -0.132 174.381 174.900 -0.646 0.000 1.172 239 G CA -0.391 43.980 45.100 -1.214 0.000 0.854 239 G HN 0.916 nan 8.290 nan 0.000 0.485 240 E N 2.082 121.948 120.200 -0.556 0.000 1.775 240 E HA 0.300 4.655 4.350 0.008 0.000 0.266 240 E C -0.428 175.854 176.600 -0.529 0.000 1.191 240 E CA -0.255 55.924 56.400 -0.369 0.000 1.048 240 E CB 0.136 29.677 29.700 -0.266 0.000 1.081 240 E HN 0.142 nan 8.360 nan 0.000 0.434 241 V N 4.899 124.586 119.914 -0.379 0.000 2.487 241 V HA 0.349 4.474 4.120 0.008 0.000 0.298 241 V C -0.857 175.109 176.094 -0.213 0.000 1.028 241 V CA -0.902 61.142 62.300 -0.428 0.000 0.860 241 V CB 0.826 32.485 31.823 -0.273 0.000 0.991 241 V HN 0.533 nan 8.190 nan 0.000 0.427 242 W N 3.365 124.639 121.300 -0.044 0.000 2.317 242 W HA 0.859 5.525 4.660 0.009 0.000 0.327 242 W C 0.538 177.035 176.519 -0.036 0.000 1.036 242 W CA -0.422 56.864 57.345 -0.098 0.000 1.419 242 W CB 0.520 29.772 29.460 -0.346 0.000 1.253 242 W HN 1.042 nan 8.180 nan 0.000 0.392 243 G N 1.892 110.841 108.800 0.249 0.000 2.347 243 G HA2 -0.014 3.951 3.960 0.008 0.000 0.341 243 G HA3 -0.014 3.951 3.960 0.008 0.000 0.341 243 G C -1.470 173.570 174.900 0.233 0.000 1.287 243 G CA -1.122 44.098 45.100 0.199 0.000 0.984 243 G HN 0.462 nan 8.290 nan 0.000 0.526 244 D N -0.050 120.470 120.400 0.200 0.000 2.451 244 D HA 0.372 5.016 4.640 0.008 0.000 0.254 244 D C 1.093 177.594 176.300 0.335 0.000 1.204 244 D CA 0.845 54.984 54.000 0.231 0.000 0.896 244 D CB 0.479 41.350 40.800 0.119 0.000 1.136 244 D HN 0.379 nan 8.370 nan 0.000 0.499 245 S N 3.700 119.693 115.700 0.489 0.000 2.561 245 S HA 0.148 4.623 4.470 0.008 0.000 0.245 245 S C 1.584 176.413 174.600 0.382 0.000 1.001 245 S CA -0.519 57.980 58.200 0.499 0.000 1.002 245 S CB 0.254 63.650 63.200 0.327 0.000 0.805 245 S HN 0.456 nan 8.310 nan 0.000 0.458 246 R N 1.508 122.234 120.500 0.376 0.000 2.120 246 R HA -0.150 4.195 4.340 0.008 0.000 0.234 246 R C 2.376 178.654 176.300 -0.037 0.000 1.123 246 R CA 1.261 57.505 56.100 0.241 0.000 0.975 246 R CB -0.198 30.192 30.300 0.150 0.000 0.866 246 R HN 0.495 nan 8.270 nan 0.000 0.446 247 Q N -0.079 119.554 119.800 -0.279 0.000 2.197 247 Q HA -0.192 4.153 4.340 0.008 0.000 0.207 247 Q C 0.871 176.468 176.000 -0.671 0.000 0.984 247 Q CA 1.458 56.881 55.803 -0.633 0.000 0.869 247 Q CB 0.109 28.110 28.738 -1.228 0.000 0.906 247 Q HN 0.490 nan 8.270 nan 0.000 0.426 248 W N -0.571 120.621 121.300 -0.181 0.000 3.127 248 W HA 0.263 4.928 4.660 0.009 0.000 0.344 248 W C 0.179 176.456 176.519 -0.405 0.000 1.151 248 W CA -0.189 56.877 57.345 -0.465 0.000 1.765 248 W CB 0.446 29.413 29.460 -0.822 0.000 1.085 248 W HN 0.056 nan 8.180 nan 0.000 0.596 249 L N 2.027 123.225 121.223 -0.041 0.000 3.096 249 L HA 0.098 4.442 4.340 0.008 0.000 0.247 249 L C 1.125 177.996 176.870 0.002 0.000 1.321 249 L CA 0.012 54.820 54.840 -0.054 0.000 1.044 249 L CB -0.285 41.651 42.059 -0.204 0.000 1.434 249 L HN -0.187 nan 8.230 nan 0.000 0.533 250 D N -0.923 119.465 120.400 -0.021 0.000 2.360 250 D HA 0.086 4.730 4.640 0.008 0.000 0.210 250 D C 1.400 177.708 176.300 0.013 0.000 1.047 250 D CA 0.746 54.747 54.000 0.002 0.000 0.854 250 D CB 0.768 41.554 40.800 -0.023 0.000 0.936 250 D HN 0.288 nan 8.370 nan 0.000 0.514 251 G N 0.023 108.830 108.800 0.011 0.000 2.218 251 G HA2 -0.285 3.680 3.960 0.008 0.000 0.216 251 G HA3 -0.285 3.680 3.960 0.008 0.000 0.216 251 G C 1.107 176.029 174.900 0.037 0.000 0.994 251 G CA 0.560 45.677 45.100 0.028 0.000 0.637 251 G HN 0.589 nan 8.290 nan 0.000 0.505 252 T N -2.349 112.221 114.554 0.026 0.000 3.069 252 T HA 0.500 4.854 4.350 0.008 0.000 0.252 252 T C 1.440 176.183 174.700 0.071 0.000 1.053 252 T CA 1.372 63.499 62.100 0.046 0.000 0.964 252 T CB 0.490 69.379 68.868 0.035 0.000 1.005 252 T HN 0.505 nan 8.240 nan 0.000 0.532 253 Q N -0.445 119.374 119.800 0.033 0.000 2.160 253 Q HA 0.453 4.798 4.340 0.008 0.000 0.166 253 Q C -0.576 175.514 176.000 0.149 0.000 0.592 253 Q CA -0.565 55.255 55.803 0.028 0.000 0.711 253 Q CB 0.511 29.102 28.738 -0.244 0.000 1.157 253 Q HN 0.357 nan 8.270 nan 0.000 0.463 254 F N 1.647 121.616 119.950 0.032 0.000 2.370 254 F HA 0.185 4.717 4.527 0.009 0.000 0.319 254 F C 0.996 176.772 175.800 -0.040 0.000 1.129 254 F CA -0.960 57.004 58.000 -0.060 0.000 1.109 254 F CB 0.189 39.074 39.000 -0.193 0.000 1.262 254 F HN 0.189 nan 8.300 nan 0.000 0.534 255 D N -0.259 120.241 120.400 0.166 0.000 2.354 255 D HA 0.293 4.938 4.640 0.008 0.000 0.209 255 D C 0.939 177.270 176.300 0.052 0.000 1.015 255 D CA 0.766 54.832 54.000 0.109 0.000 0.867 255 D CB 0.758 41.675 40.800 0.194 0.000 0.933 255 D HN 0.653 nan 8.370 nan 0.000 0.520 256 G N -0.254 108.554 108.800 0.013 0.000 2.313 256 G HA2 0.386 4.351 3.960 0.008 0.000 0.296 256 G HA3 0.386 4.351 3.960 0.008 0.000 0.296 256 G C -1.430 173.371 174.900 -0.166 0.000 1.356 256 G CA -0.213 44.833 45.100 -0.089 0.000 0.833 256 G HN 0.128 nan 8.290 nan 0.000 0.552 257 V N -2.936 116.862 119.914 -0.192 0.000 3.141 257 V HA 0.847 4.972 4.120 0.008 0.000 0.312 257 V C 0.320 176.306 176.094 -0.180 0.000 1.157 257 V CA -1.346 60.822 62.300 -0.220 0.000 1.041 257 V CB 1.906 33.648 31.823 -0.134 0.000 1.071 257 V HN 0.884 nan 8.190 nan 0.000 0.441 258 M N 3.080 122.582 119.600 -0.164 0.000 2.350 258 M HA 0.277 4.762 4.480 0.008 0.000 0.338 258 M C 0.277 176.540 176.300 -0.062 0.000 1.559 258 M CA 0.140 55.346 55.300 -0.156 0.000 1.217 258 M CB -0.345 32.191 32.600 -0.108 0.000 1.808 258 M HN 0.757 nan 8.290 nan 0.000 0.458 259 N N 2.732 121.390 118.700 -0.070 0.000 2.744 259 N HA -0.012 4.732 4.740 0.008 0.000 0.290 259 N C -0.089 175.489 175.510 0.114 0.000 1.206 259 N CA 0.402 53.498 53.050 0.078 0.000 1.119 259 N CB -0.055 38.495 38.487 0.105 0.000 1.449 259 N HN 0.457 nan 8.380 nan 0.000 0.514 260 Y N 0.757 121.163 120.300 0.177 0.000 2.509 260 Y HA 0.024 4.579 4.550 0.007 0.000 0.293 260 Y C 1.816 177.835 175.900 0.199 0.000 1.133 260 Y CA 0.484 58.707 58.100 0.204 0.000 1.283 260 Y CB 0.175 38.764 38.460 0.216 0.000 1.001 260 Y HN 0.437 nan 8.280 nan 0.000 0.555 261 L N -1.422 119.992 121.223 0.318 0.000 2.362 261 L HA -0.202 4.143 4.340 0.008 0.000 0.219 261 L C 2.062 179.012 176.870 0.134 0.000 1.134 261 L CA 1.131 56.095 54.840 0.207 0.000 0.807 261 L CB -0.385 41.795 42.059 0.201 0.000 0.927 261 L HN 0.312 nan 8.230 nan 0.000 0.447 262 F N 0.269 120.221 119.950 0.002 0.000 2.262 262 F HA 0.069 4.600 4.527 0.008 0.000 0.292 262 F C 2.399 178.147 175.800 -0.087 0.000 1.081 262 F CA 0.885 58.786 58.000 -0.166 0.000 1.355 262 F CB -0.144 38.637 39.000 -0.366 0.000 1.069 262 F HN -0.070 nan 8.300 nan 0.000 0.506 263 A N 0.951 123.782 122.820 0.019 0.000 1.883 263 A HA -0.036 4.289 4.320 0.008 0.000 0.217 263 A C 2.465 180.024 177.584 -0.041 0.000 1.186 263 A CA 1.829 53.875 52.037 0.015 0.000 0.624 263 A CB -1.847 17.333 19.000 0.300 0.000 0.822 263 A HN 0.533 nan 8.150 nan 0.000 0.444 264 G N 0.209 109.037 108.800 0.047 0.000 2.545 264 G HA2 -0.216 3.749 3.960 0.008 0.000 0.217 264 G HA3 -0.216 3.749 3.960 0.008 0.000 0.217 264 G C -0.231 174.562 174.900 -0.178 0.000 1.218 264 G CA 1.451 46.481 45.100 -0.116 0.000 0.787 264 G HN 0.500 nan 8.290 nan 0.000 0.571 265 P HA -0.013 nan 4.420 nan 0.000 0.216 265 P C 2.096 179.382 177.300 -0.023 0.000 1.153 265 P CA 1.836 64.906 63.100 -0.051 0.000 0.848 265 P CB -0.229 31.444 31.700 -0.044 0.000 0.787 266 T N -0.341 114.097 114.554 -0.194 0.000 2.684 266 T HA -0.142 4.213 4.350 0.008 0.000 0.267 266 T C 1.759 176.289 174.700 -0.283 0.000 1.036 266 T CA 1.247 63.133 62.100 -0.357 0.000 1.148 266 T CB -0.937 67.465 68.868 -0.778 0.000 0.863 266 T HN 0.072 nan 8.240 nan 0.000 0.436 267 I N 1.156 121.593 120.570 -0.222 0.000 2.252 267 I HA -0.114 4.061 4.170 0.008 0.000 0.245 267 I C 2.855 178.877 176.117 -0.158 0.000 1.102 267 I CA 0.916 62.114 61.300 -0.170 0.000 1.385 267 I CB -0.422 37.486 38.000 -0.153 0.000 1.064 267 I HN 0.178 nan 8.210 nan 0.000 0.414 268 A N 0.296 123.033 122.820 -0.137 0.000 2.070 268 A HA -0.237 4.088 4.320 0.008 0.000 0.220 268 A C 2.108 179.672 177.584 -0.035 0.000 1.159 268 A CA 1.486 53.474 52.037 -0.082 0.000 0.656 268 A CB -0.638 18.319 19.000 -0.072 0.000 0.800 268 A HN 0.499 nan 8.150 nan 0.000 0.453 269 F N 0.036 119.823 119.950 -0.272 0.000 2.274 269 F HA 0.352 4.885 4.527 0.009 0.000 0.288 269 F C 2.355 177.975 175.800 -0.300 0.000 1.069 269 F CA 0.570 58.369 58.000 -0.336 0.000 1.343 269 F CB -0.637 37.989 39.000 -0.624 0.000 1.089 269 F HN 0.176 nan 8.300 nan 0.000 0.517 270 A N 0.285 122.781 122.820 -0.541 0.000 1.929 270 A HA 0.156 4.481 4.320 0.008 0.000 0.216 270 A C 2.251 179.632 177.584 -0.338 0.000 1.176 270 A CA 1.601 53.314 52.037 -0.539 0.000 0.628 270 A CB -1.327 17.473 19.000 -0.335 0.000 0.816 270 A HN 0.458 nan 8.150 nan 0.000 0.444 271 A N -1.590 121.091 122.820 -0.233 0.000 2.044 271 A HA 0.454 4.779 4.320 0.008 0.000 0.213 271 A C 1.911 179.408 177.584 -0.145 0.000 1.169 271 A CA 1.389 53.331 52.037 -0.157 0.000 0.724 271 A CB -1.064 17.870 19.000 -0.110 0.000 0.840 271 A HN 1.865 nan 8.150 nan 0.000 0.463 272 G N 1.022 109.732 108.800 -0.150 0.000 2.614 272 G HA2 -0.434 3.531 3.960 0.008 0.000 0.303 272 G HA3 -0.434 3.531 3.960 0.008 0.000 0.303 272 G C 0.340 175.196 174.900 -0.073 0.000 1.270 272 G CA 0.980 46.010 45.100 -0.117 0.000 0.988 272 G HN 0.956 nan 8.290 nan 0.000 0.551 273 D N 0.443 120.803 120.400 -0.066 0.000 2.358 273 D HA 0.080 4.725 4.640 0.008 0.000 0.241 273 D C 1.911 178.185 176.300 -0.045 0.000 1.094 273 D CA 0.772 54.748 54.000 -0.041 0.000 0.907 273 D CB -0.185 40.596 40.800 -0.031 0.000 0.893 273 D HN 0.620 nan 8.370 nan 0.000 0.528 274 R N 0.003 120.469 120.500 -0.057 0.000 2.310 274 R HA 0.167 4.512 4.340 0.008 0.000 0.202 274 R C 0.093 176.366 176.300 -0.045 0.000 0.933 274 R CA -0.182 55.888 56.100 -0.050 0.000 1.054 274 R CB 0.458 30.724 30.300 -0.057 0.000 0.985 274 R HN 0.110 nan 8.270 nan 0.000 0.489 275 V N 2.068 121.955 119.914 -0.046 0.000 2.585 275 V HA -0.021 4.104 4.120 0.008 0.000 0.296 275 V C 0.550 176.618 176.094 -0.043 0.000 1.035 275 V CA 0.105 62.379 62.300 -0.043 0.000 1.084 275 V CB 1.505 33.308 31.823 -0.033 0.000 0.953 275 V HN -0.059 nan 8.190 nan 0.000 0.483 276 V N 7.271 127.161 119.914 -0.040 0.000 2.322 276 V HA 0.084 4.209 4.120 0.008 0.000 0.258 276 V C 1.157 177.216 176.094 -0.058 0.000 1.074 276 V CA -0.294 61.980 62.300 -0.043 0.000 0.909 276 V CB 0.620 32.425 31.823 -0.030 0.000 1.090 276 V HN 0.706 nan 8.190 nan 0.000 0.486 277 L N 4.687 125.857 121.223 -0.089 0.000 2.010 277 L HA -0.192 4.153 4.340 0.008 0.000 0.219 277 L C 2.614 179.419 176.870 -0.109 0.000 1.077 277 L CA 1.920 56.677 54.840 -0.139 0.000 0.773 277 L CB -0.774 41.172 42.059 -0.190 0.000 0.892 277 L HN 0.784 nan 8.230 nan 0.000 0.436 278 E N -0.772 119.377 120.200 -0.084 0.000 2.510 278 E HA -0.204 4.151 4.350 0.008 0.000 0.202 278 E C 1.063 177.635 176.600 -0.046 0.000 1.072 278 E CA 0.591 56.951 56.400 -0.066 0.000 0.883 278 E CB -0.344 29.323 29.700 -0.054 0.000 0.818 278 E HN 0.596 nan 8.360 nan 0.000 0.548 279 Q N 0.658 120.435 119.800 -0.038 0.000 2.179 279 Q HA 0.148 4.493 4.340 0.008 0.000 0.213 279 Q C 0.304 176.312 176.000 0.012 0.000 0.833 279 Q CA -0.024 55.769 55.803 -0.016 0.000 0.990 279 Q CB 1.493 30.225 28.738 -0.011 0.000 1.132 279 Q HN 0.255 nan 8.270 nan 0.000 0.493 280 V N -0.203 119.718 119.914 0.012 0.000 2.398 280 V HA 0.405 4.530 4.120 0.008 0.000 0.286 280 V C -0.207 175.951 176.094 0.107 0.000 1.026 280 V CA -0.799 61.554 62.300 0.088 0.000 0.868 280 V CB 1.774 33.628 31.823 0.052 0.000 0.982 280 V HN -0.033 nan 8.190 nan 0.000 0.443 281 Q N 4.410 124.316 119.800 0.176 0.000 2.641 281 Q HA 0.209 4.554 4.340 0.008 0.000 0.225 281 Q C 1.418 177.453 176.000 0.059 0.000 1.309 281 Q CA 0.846 56.658 55.803 0.015 0.000 0.935 281 Q CB 0.154 28.809 28.738 -0.139 0.000 1.557 281 Q HN 1.196 nan 8.270 nan 0.000 0.563 282 S N 2.533 118.266 115.700 0.055 0.000 2.462 282 S HA -0.264 4.211 4.470 0.008 0.000 0.243 282 S C 1.698 176.262 174.600 -0.059 0.000 1.003 282 S CA 1.118 59.371 58.200 0.087 0.000 0.970 282 S CB -0.179 63.083 63.200 0.104 0.000 0.762 282 S HN 0.719 nan 8.310 nan 0.000 0.510 283 R N 1.228 121.594 120.500 -0.223 0.000 2.092 283 R HA -0.094 4.251 4.340 0.008 0.000 0.231 283 R C 1.031 176.881 176.300 -0.749 0.000 1.119 283 R CA 1.801 57.638 56.100 -0.439 0.000 0.970 283 R CB -0.282 29.698 30.300 -0.533 0.000 0.864 283 R HN 0.406 nan 8.270 nan 0.000 0.440 284 D N -0.728 119.216 120.400 -0.760 0.000 2.144 284 D HA -0.013 4.631 4.640 0.008 0.000 0.207 284 D C 0.382 176.548 176.300 -0.224 0.000 0.970 284 D CA 1.342 54.825 54.000 -0.862 0.000 0.853 284 D CB 0.060 40.233 40.800 -1.045 0.000 1.007 284 D HN 0.424 nan 8.370 nan 0.000 0.469 285 Y N -1.874 118.324 120.300 -0.170 0.000 2.655 285 Y HA 0.687 5.241 4.550 0.007 0.000 0.336 285 Y C -1.354 174.486 175.900 -0.100 0.000 1.154 285 Y CA -1.528 56.554 58.100 -0.031 0.000 1.055 285 Y CB 1.102 39.642 38.460 0.134 0.000 1.295 285 Y HN -0.407 nan 8.280 nan 0.000 0.465 286 Q N 2.642 122.337 119.800 -0.174 0.000 2.674 286 Q HA 0.309 4.653 4.340 0.008 0.000 0.249 286 Q C -2.636 172.959 176.000 -0.674 0.000 1.011 286 Q CA -2.008 53.420 55.803 -0.625 0.000 0.734 286 Q CB 1.788 30.116 28.738 -0.683 0.000 1.201 286 Q HN 0.380 nan 8.270 nan 0.000 0.498 287 P HA 0.056 nan 4.420 nan 0.000 0.228 287 P C -1.394 175.819 177.300 -0.145 0.000 1.764 287 P CA -0.040 62.834 63.100 -0.376 0.000 0.929 287 P CB -0.401 31.023 31.700 -0.460 0.000 1.675 288 Y N -2.413 117.804 120.300 -0.139 0.000 2.620 288 Y HA 0.644 5.199 4.550 0.009 0.000 0.331 288 Y C -2.952 172.914 175.900 -0.057 0.000 1.173 288 Y CA -2.682 55.364 58.100 -0.089 0.000 1.076 288 Y CB -0.075 38.330 38.460 -0.092 0.000 1.336 288 Y HN -0.243 nan 8.280 nan 0.000 0.459 289 P HA 0.276 nan 4.420 nan 0.000 0.274 289 P C -2.685 174.662 177.300 0.078 0.000 1.256 289 P CA -1.318 61.871 63.100 0.148 0.000 0.795 289 P CB 0.428 32.200 31.700 0.119 0.000 1.038 290 P HA 0.127 nan 4.420 nan 0.000 0.267 290 P C -0.581 176.771 177.300 0.088 0.000 1.200 290 P CA 0.435 63.559 63.100 0.039 0.000 0.772 290 P CB 0.544 32.244 31.700 0.001 0.000 0.855 291 L N 2.224 123.501 121.223 0.091 0.000 2.346 291 L HA 0.460 4.804 4.340 0.008 0.000 0.274 291 L C 0.405 177.388 176.870 0.188 0.000 1.007 291 L CA -0.971 53.967 54.840 0.165 0.000 0.818 291 L CB 0.867 42.996 42.059 0.117 0.000 1.284 291 L HN 0.214 nan 8.230 nan 0.000 0.424 292 F N 0.390 120.384 119.950 0.073 0.000 2.371 292 F HA 0.368 4.900 4.527 0.007 0.000 0.329 292 F C 1.355 177.114 175.800 -0.067 0.000 1.107 292 F CA 0.185 58.238 58.000 0.088 0.000 1.137 292 F CB 1.403 40.431 39.000 0.046 0.000 1.214 292 F HN 0.611 nan 8.300 nan 0.000 0.536 293 A N 2.256 125.134 122.820 0.096 0.000 1.896 293 A HA -0.274 4.051 4.320 0.008 0.000 0.220 293 A C 2.254 179.778 177.584 -0.099 0.000 1.206 293 A CA 2.613 54.538 52.037 -0.186 0.000 0.647 293 A CB -1.511 17.585 19.000 0.161 0.000 0.828 293 A HN 0.887 nan 8.150 nan 0.000 0.455 294 A N -0.740 122.099 122.820 0.031 0.000 1.978 294 A HA -0.190 4.135 4.320 0.008 0.000 0.220 294 A C 1.903 179.470 177.584 -0.028 0.000 1.170 294 A CA 1.800 53.839 52.037 0.004 0.000 0.636 294 A CB -0.510 18.487 19.000 -0.005 0.000 0.810 294 A HN 0.724 nan 8.150 nan 0.000 0.448 295 E N -2.018 118.174 120.200 -0.013 0.000 2.112 295 E HA -0.121 4.233 4.350 0.008 0.000 0.190 295 E C 1.854 178.396 176.600 -0.097 0.000 0.979 295 E CA 1.037 57.419 56.400 -0.029 0.000 0.814 295 E CB -0.280 29.445 29.700 0.042 0.000 0.762 295 E HN 0.768 nan 8.360 nan 0.000 0.460 296 Y N 1.762 121.849 120.300 -0.355 0.000 2.181 296 Y HA -0.185 4.370 4.550 0.010 0.000 0.288 296 Y C 2.227 177.875 175.900 -0.420 0.000 1.146 296 Y CA 1.249 59.042 58.100 -0.512 0.000 1.164 296 Y CB -0.458 37.368 38.460 -1.056 0.000 0.982 296 Y HN -0.016 nan 8.280 nan 0.000 0.515 297 A N -0.366 122.229 122.820 -0.375 0.000 1.908 297 A HA -0.239 4.086 4.320 0.008 0.000 0.218 297 A C 2.345 179.852 177.584 -0.128 0.000 1.181 297 A CA 2.845 54.798 52.037 -0.139 0.000 0.627 297 A CB -1.547 17.560 19.000 0.178 0.000 0.818 297 A HN 0.620 nan 8.150 nan 0.000 0.445 298 T N -0.519 113.965 114.554 -0.118 0.000 2.770 298 T HA -0.154 4.201 4.350 0.008 0.000 0.263 298 T C 1.810 176.433 174.700 -0.128 0.000 1.039 298 T CA 1.473 63.518 62.100 -0.091 0.000 1.142 298 T CB -0.464 68.365 68.868 -0.066 0.000 0.868 298 T HN 0.707 nan 8.240 nan 0.000 0.435 299 K N 0.488 120.786 120.400 -0.170 0.000 2.211 299 K HA 0.060 4.385 4.320 0.008 0.000 0.203 299 K C 2.134 178.604 176.600 -0.216 0.000 1.050 299 K CA 0.669 56.855 56.287 -0.168 0.000 0.945 299 K CB -0.337 32.073 32.500 -0.150 0.000 0.732 299 K HN 0.238 nan 8.250 nan 0.000 0.451 300 I N 2.376 122.735 120.570 -0.352 0.000 2.353 300 I HA -0.161 4.014 4.170 0.008 0.000 0.248 300 I C 2.313 178.317 176.117 -0.188 0.000 1.119 300 I CA 1.402 62.491 61.300 -0.352 0.000 1.417 300 I CB -0.782 36.823 38.000 -0.658 0.000 1.078 300 I HN 0.329 nan 8.210 nan 0.000 0.421 301 Q N -0.034 119.678 119.800 -0.148 0.000 2.123 301 Q HA -0.220 4.125 4.340 0.008 0.000 0.199 301 Q C 2.062 178.014 176.000 -0.080 0.000 0.966 301 Q CA 1.275 57.026 55.803 -0.086 0.000 0.845 301 Q CB -0.038 28.683 28.738 -0.027 0.000 0.907 301 Q HN 0.463 nan 8.270 nan 0.000 0.439 302 E N -0.054 120.092 120.200 -0.089 0.000 2.110 302 E HA -0.162 4.193 4.350 0.008 0.000 0.193 302 E C 1.739 178.279 176.600 -0.099 0.000 0.988 302 E CA 0.964 57.312 56.400 -0.086 0.000 0.804 302 E CB 0.261 29.911 29.700 -0.084 0.000 0.745 302 E HN 0.128 nan 8.360 nan 0.000 0.458 303 V N 0.887 120.751 119.914 -0.083 0.000 2.719 303 V HA -0.163 3.962 4.120 0.008 0.000 0.252 303 V C 2.110 178.182 176.094 -0.038 0.000 1.065 303 V CA 1.024 63.292 62.300 -0.053 0.000 1.086 303 V CB -0.177 31.669 31.823 0.038 0.000 0.700 303 V HN 0.334 nan 8.190 nan 0.000 0.467 304 L N 0.493 121.694 121.223 -0.037 0.000 2.554 304 L HA -0.040 4.305 4.340 0.008 0.000 0.226 304 L C 2.058 178.935 176.870 0.012 0.000 1.137 304 L CA 0.804 55.632 54.840 -0.019 0.000 0.863 304 L CB -0.163 41.827 42.059 -0.115 0.000 0.985 304 L HN 0.548 nan 8.230 nan 0.000 0.451 305 Q N -1.705 118.065 119.800 -0.049 0.000 2.155 305 Q HA 0.063 4.408 4.340 0.008 0.000 0.220 305 Q C 1.441 177.376 176.000 -0.109 0.000 0.819 305 Q CA -0.166 55.613 55.803 -0.039 0.000 1.032 305 Q CB 0.408 29.122 28.738 -0.040 0.000 1.151 305 Q HN 0.228 nan 8.270 nan 0.000 0.487 306 L N 0.045 121.117 121.223 -0.252 0.000 2.131 306 L HA 0.204 4.548 4.340 0.008 0.000 0.206 306 L C -0.153 176.417 176.870 -0.500 0.000 1.087 306 L CA 1.348 55.884 54.840 -0.506 0.000 0.767 306 L CB 0.103 41.614 42.059 -0.913 0.000 0.917 306 L HN 0.223 nan 8.230 nan 0.000 0.441 307 Y N -1.831 118.503 120.300 0.056 0.000 2.602 307 Y HA 0.517 5.070 4.550 0.005 0.000 0.342 307 Y C -2.001 173.943 175.900 0.074 0.000 1.029 307 Y CA -3.050 55.081 58.100 0.051 0.000 1.080 307 Y CB -0.120 38.364 38.460 0.041 0.000 1.284 307 Y HN -0.195 nan 8.280 nan 0.000 0.485 308 P HA -0.121 nan 4.420 nan 0.000 0.266 308 P C 0.402 177.831 177.300 0.215 0.000 1.195 308 P CA -0.021 63.192 63.100 0.189 0.000 0.768 308 P CB 0.685 32.464 31.700 0.132 0.000 0.838 309 W N 3.196 124.516 121.300 0.033 0.000 2.325 309 W HA -0.218 4.445 4.660 0.004 0.000 0.299 309 W C 1.281 177.801 176.519 0.002 0.000 1.215 309 W CA 1.329 58.681 57.345 0.012 0.000 1.244 309 W CB 0.069 29.529 29.460 0.001 0.000 1.140 309 W HN 0.453 nan 8.180 nan 0.000 0.523 310 E N 0.520 120.726 120.200 0.010 0.000 2.110 310 E HA -0.197 4.158 4.350 0.008 0.000 0.193 310 E C 2.073 178.571 176.600 -0.170 0.000 0.988 310 E CA 1.456 57.795 56.400 -0.102 0.000 0.804 310 E CB -0.492 29.209 29.700 0.002 0.000 0.745 310 E HN 0.447 nan 8.360 nan 0.000 0.458 311 I N 0.399 120.909 120.570 -0.100 0.000 2.584 311 I HA -0.215 3.960 4.170 0.008 0.000 0.255 311 I C 2.522 178.541 176.117 -0.163 0.000 1.145 311 I CA 0.501 61.740 61.300 -0.101 0.000 1.462 311 I CB -0.080 37.899 38.000 -0.035 0.000 1.102 311 I HN 0.046 nan 8.210 nan 0.000 0.433 312 Q N 1.665 121.354 119.800 -0.185 0.000 2.124 312 Q HA -0.157 4.187 4.340 0.008 0.000 0.202 312 Q C 2.028 177.767 176.000 -0.436 0.000 0.977 312 Q CA 1.765 57.426 55.803 -0.237 0.000 0.850 312 Q CB -0.394 28.177 28.738 -0.278 0.000 0.901 312 Q HN 0.490 nan 8.270 nan 0.000 0.429 313 L N -0.094 120.761 121.223 -0.612 0.000 2.362 313 L HA -0.045 4.300 4.340 0.008 0.000 0.219 313 L C 1.193 177.822 176.870 -0.402 0.000 1.134 313 L CA 1.463 55.957 54.840 -0.577 0.000 0.807 313 L CB -0.284 41.405 42.059 -0.617 0.000 0.927 313 L HN 0.348 nan 8.230 nan 0.000 0.447 314 T N -4.626 109.731 114.554 -0.327 0.000 3.228 314 T HA 0.188 4.542 4.350 0.008 0.000 0.278 314 T C 0.641 175.212 174.700 -0.215 0.000 1.014 314 T CA -0.481 61.428 62.100 -0.318 0.000 0.904 314 T CB 0.243 68.947 68.868 -0.274 0.000 1.110 314 T HN -0.015 nan 8.240 nan 0.000 0.541 315 Q N 1.152 120.831 119.800 -0.202 0.000 2.417 315 Q HA 0.326 4.671 4.340 0.008 0.000 0.241 315 Q C -0.685 175.199 176.000 -0.193 0.000 1.008 315 Q CA -0.458 55.256 55.803 -0.148 0.000 0.901 315 Q CB 1.346 30.035 28.738 -0.083 0.000 1.259 315 Q HN 0.312 nan 8.270 nan 0.000 0.489 316 L N 4.037 125.140 121.223 -0.200 0.000 2.321 316 L HA 0.247 4.592 4.340 0.008 0.000 0.272 316 L C -0.725 176.016 176.870 -0.215 0.000 1.050 316 L CA -0.245 54.420 54.840 -0.291 0.000 0.893 316 L CB 0.099 41.918 42.059 -0.400 0.000 1.272 316 L HN 0.376 nan 8.230 nan 0.000 0.435 317 N N 6.040 124.620 118.700 -0.199 0.000 2.518 317 N HA 0.510 5.255 4.740 0.008 0.000 0.266 317 N C -0.465 174.964 175.510 -0.136 0.000 1.196 317 N CA 0.017 52.921 53.050 -0.244 0.000 0.947 317 N CB 1.436 39.631 38.487 -0.486 0.000 1.098 317 N HN 0.669 nan 8.380 nan 0.000 0.450 318 L N -2.099 119.099 121.223 -0.042 0.000 2.630 318 L HA 0.544 4.889 4.340 0.008 0.000 0.258 318 L C -0.716 176.248 176.870 0.156 0.000 1.072 318 L CA -0.882 53.984 54.840 0.043 0.000 0.885 318 L CB 1.411 43.440 42.059 -0.050 0.000 1.502 318 L HN 0.336 nan 8.230 nan 0.000 0.406 319 L N 0.322 121.633 121.223 0.147 0.000 3.174 319 L HA 0.714 5.059 4.340 0.008 0.000 0.283 319 L C 0.274 177.223 176.870 0.132 0.000 1.187 319 L CA 0.612 55.559 54.840 0.179 0.000 1.018 319 L CB 1.203 43.378 42.059 0.194 0.000 1.433 319 L HN 0.850 nan 8.230 nan 0.000 0.593 320 A N -1.075 121.767 122.820 0.036 0.000 2.601 320 A HA 0.800 5.125 4.320 0.008 0.000 0.291 320 A C -1.099 176.366 177.584 -0.197 0.000 1.075 320 A CA -0.284 51.691 52.037 -0.103 0.000 0.671 320 A CB 1.970 20.895 19.000 -0.125 0.000 1.277 320 A HN -0.153 nan 8.150 nan 0.000 0.417 321 S N -1.762 113.683 115.700 -0.426 0.000 2.656 321 S HA 0.489 4.964 4.470 0.008 0.000 0.273 321 S C 0.827 175.090 174.600 -0.562 0.000 1.168 321 S CA 0.223 58.245 58.200 -0.297 0.000 0.817 321 S CB 0.569 63.843 63.200 0.124 0.000 1.146 321 S HN 1.437 nan 8.310 nan 0.000 0.475 322 H N 0.887 119.976 119.070 0.032 0.000 2.492 322 H HA -0.056 4.504 4.556 0.008 0.000 0.296 322 H C 1.168 176.472 175.328 -0.040 0.000 1.095 322 H CA 1.858 57.984 56.048 0.130 0.000 1.281 322 H CB -0.284 29.622 29.762 0.241 0.000 1.374 322 H HN 0.607 nan 8.280 nan 0.000 0.545 323 D N 1.419 121.274 120.400 -0.908 0.000 2.323 323 D HA -0.040 4.604 4.640 0.008 0.000 0.209 323 D C 0.731 176.803 176.300 -0.380 0.000 0.973 323 D CA 0.981 54.571 54.000 -0.683 0.000 0.874 323 D CB 0.538 40.937 40.800 -0.669 0.000 0.930 323 D HN 0.583 nan 8.370 nan 0.000 0.521 324 T N -2.383 111.964 114.554 -0.346 0.000 2.804 324 T HA 0.701 5.055 4.350 0.008 0.000 0.272 324 T C 0.032 174.622 174.700 -0.184 0.000 0.986 324 T CA -0.758 61.199 62.100 -0.239 0.000 0.999 324 T CB 1.859 70.570 68.868 -0.261 0.000 1.307 324 T HN -0.020 nan 8.240 nan 0.000 0.586 325 A N 0.484 123.262 122.820 -0.071 0.000 2.304 325 A HA 0.628 4.953 4.320 0.008 0.000 0.271 325 A C 0.712 178.258 177.584 -0.064 0.000 1.091 325 A CA -0.818 51.188 52.037 -0.051 0.000 0.812 325 A CB 0.176 19.178 19.000 0.004 0.000 1.056 325 A HN 0.800 nan 8.150 nan 0.000 0.489 326 R N -0.097 120.373 120.500 -0.049 0.000 2.707 326 R HA 0.095 4.440 4.340 0.008 0.000 0.270 326 R C 0.967 177.281 176.300 0.024 0.000 1.083 326 R CA -0.611 55.475 56.100 -0.023 0.000 1.182 326 R CB 0.154 30.459 30.300 0.009 0.000 1.084 326 R HN 0.680 nan 8.270 nan 0.000 0.528 327 L N 1.609 122.865 121.223 0.055 0.000 2.017 327 L HA -0.189 4.155 4.340 0.008 0.000 0.208 327 L C 2.300 179.204 176.870 0.057 0.000 1.073 327 L CA 1.841 56.725 54.840 0.073 0.000 0.745 327 L CB -0.545 41.582 42.059 0.113 0.000 0.894 327 L HN 0.611 nan 8.230 nan 0.000 0.432 328 M N -1.542 118.093 119.600 0.058 0.000 2.213 328 M HA -0.167 4.318 4.480 0.008 0.000 0.263 328 M C 1.988 178.307 176.300 0.031 0.000 1.062 328 M CA 1.887 57.215 55.300 0.048 0.000 1.105 328 M CB -0.513 32.119 32.600 0.053 0.000 1.385 328 M HN 0.212 nan 8.290 nan 0.000 0.417 329 T N -0.250 114.321 114.554 0.027 0.000 2.851 329 T HA 0.005 4.360 4.350 0.008 0.000 0.262 329 T C 1.610 176.317 174.700 0.011 0.000 1.043 329 T CA 1.190 63.300 62.100 0.017 0.000 1.140 329 T CB -0.264 68.611 68.868 0.013 0.000 0.872 329 T HN 0.369 nan 8.240 nan 0.000 0.446 330 I N 1.522 122.103 120.570 0.019 0.000 2.567 330 I HA 0.031 4.206 4.170 0.008 0.000 0.257 330 I C 1.739 177.852 176.117 -0.007 0.000 1.184 330 I CA 0.655 61.962 61.300 0.013 0.000 1.451 330 I CB -0.177 37.844 38.000 0.036 0.000 1.089 330 I HN 0.147 nan 8.210 nan 0.000 0.441 331 A N -0.323 122.495 122.820 -0.003 0.000 2.630 331 A HA 0.562 4.887 4.320 0.008 0.000 0.290 331 A C 1.474 179.051 177.584 -0.012 0.000 1.267 331 A CA 0.148 52.176 52.037 -0.016 0.000 0.950 331 A CB -1.050 17.939 19.000 -0.018 0.000 1.144 331 A HN 0.643 nan 8.150 nan 0.000 0.527 332 G N -0.758 108.037 108.800 -0.007 0.000 2.341 332 G HA2 0.077 4.042 3.960 0.008 0.000 0.292 332 G HA3 0.077 4.042 3.960 0.008 0.000 0.292 332 G C 1.487 176.388 174.900 0.002 0.000 1.021 332 G CA 0.934 46.031 45.100 -0.005 0.000 0.905 332 G HN 2.143 nan 8.290 nan 0.000 0.508 333 G N -0.898 107.909 108.800 0.011 0.000 2.168 333 G HA2 -0.273 3.692 3.960 0.008 0.000 0.263 333 G HA3 -0.273 3.692 3.960 0.008 0.000 0.263 333 G C 0.276 175.186 174.900 0.018 0.000 0.977 333 G CA 1.053 46.165 45.100 0.019 0.000 0.659 333 G HN 1.521 nan 8.290 nan 0.000 0.533 334 D N 0.320 120.724 120.400 0.006 0.000 2.367 334 D HA 0.390 5.035 4.640 0.008 0.000 0.255 334 D C 1.910 178.216 176.300 0.009 0.000 1.300 334 D CA -0.195 53.805 54.000 0.000 0.000 0.959 334 D CB -0.247 40.542 40.800 -0.019 0.000 1.064 334 D HN 0.303 nan 8.370 nan 0.000 0.509 335 I N 3.050 123.634 120.570 0.023 0.000 2.145 335 I HA -0.362 3.812 4.170 0.008 0.000 0.244 335 I C 2.332 178.467 176.117 0.031 0.000 1.075 335 I CA 1.321 62.645 61.300 0.040 0.000 1.332 335 I CB -0.288 37.742 38.000 0.050 0.000 1.033 335 I HN 0.517 nan 8.210 nan 0.000 0.410 336 A N 0.011 122.837 122.820 0.010 0.000 1.940 336 A HA -0.233 4.092 4.320 0.008 0.000 0.219 336 A C 2.468 180.036 177.584 -0.026 0.000 1.176 336 A CA 2.324 54.358 52.037 -0.005 0.000 0.631 336 A CB -0.738 18.247 19.000 -0.025 0.000 0.814 336 A HN 0.425 nan 8.150 nan 0.000 0.446 337 S N -0.663 115.015 115.700 -0.037 0.000 2.382 337 S HA -0.116 4.359 4.470 0.008 0.000 0.228 337 S C 1.869 176.455 174.600 -0.024 0.000 1.027 337 S CA 1.391 59.555 58.200 -0.059 0.000 0.991 337 S CB -0.377 62.789 63.200 -0.057 0.000 0.823 337 S HN 0.383 nan 8.310 nan 0.000 0.469 338 V N 1.943 121.867 119.914 0.017 0.000 2.283 338 V HA -0.160 3.965 4.120 0.008 0.000 0.243 338 V C 2.280 178.400 176.094 0.043 0.000 1.039 338 V CA 1.640 63.974 62.300 0.055 0.000 1.016 338 V CB -0.708 31.174 31.823 0.098 0.000 0.650 338 V HN 0.495 nan 8.190 nan 0.000 0.449 339 E N 0.055 120.282 120.200 0.045 0.000 2.058 339 E HA -0.242 4.113 4.350 0.008 0.000 0.194 339 E C 2.174 178.796 176.600 0.037 0.000 0.997 339 E CA 1.230 57.659 56.400 0.048 0.000 0.801 339 E CB -0.264 29.491 29.700 0.091 0.000 0.746 339 E HN 0.294 nan 8.360 nan 0.000 0.450 340 L N 0.850 122.084 121.223 0.018 0.000 2.046 340 L HA -0.142 4.202 4.340 0.008 0.000 0.208 340 L C 2.434 179.305 176.870 0.003 0.000 1.077 340 L CA 1.529 56.371 54.840 0.002 0.000 0.747 340 L CB -0.770 41.239 42.059 -0.084 0.000 0.896 340 L HN -0.007 nan 8.230 nan 0.000 0.432 341 S N -1.421 114.268 115.700 -0.018 0.000 2.356 341 S HA -0.175 4.299 4.470 0.008 0.000 0.223 341 S C 1.903 176.548 174.600 0.075 0.000 1.032 341 S CA 1.731 59.935 58.200 0.006 0.000 1.005 341 S CB -0.203 62.998 63.200 0.000 0.000 0.867 341 S HN 0.516 nan 8.310 nan 0.000 0.449 342 T N 2.546 117.118 114.554 0.030 0.000 2.788 342 T HA -0.064 4.291 4.350 0.008 0.000 0.268 342 T C 1.707 176.403 174.700 -0.006 0.000 1.044 342 T CA 1.097 63.183 62.100 -0.023 0.000 1.139 342 T CB -0.371 68.345 68.868 -0.252 0.000 0.867 342 T HN 0.223 nan 8.240 nan 0.000 0.454 343 L N 1.055 122.279 121.223 0.003 0.000 2.017 343 L HA 0.066 4.411 4.340 0.008 0.000 0.208 343 L C 2.106 179.088 176.870 0.187 0.000 1.073 343 L CA 1.622 56.472 54.840 0.016 0.000 0.745 343 L CB -0.789 41.293 42.059 0.039 0.000 0.894 343 L HN 0.237 nan 8.230 nan 0.000 0.432 344 L N -1.004 120.382 121.223 0.272 0.000 2.131 344 L HA -0.200 4.145 4.340 0.008 0.000 0.210 344 L C 2.502 179.684 176.870 0.520 0.000 1.092 344 L CA 0.788 55.900 54.840 0.453 0.000 0.759 344 L CB -0.569 41.715 42.059 0.374 0.000 0.903 344 L HN 0.407 nan 8.230 nan 0.000 0.435 345 L N 0.081 121.544 121.223 0.399 0.000 2.044 345 L HA -0.164 4.180 4.340 0.008 0.000 0.205 345 L C 2.209 179.164 176.870 0.142 0.000 1.075 345 L CA 1.794 56.785 54.840 0.251 0.000 0.747 345 L CB -0.270 41.928 42.059 0.231 0.000 0.903 345 L HN 0.271 nan 8.230 nan 0.000 0.435 346 L N -0.037 121.267 121.223 0.135 0.000 2.610 346 L HA -0.063 4.281 4.340 0.008 0.000 0.232 346 L C 1.579 178.537 176.870 0.147 0.000 1.149 346 L CA 0.973 55.872 54.840 0.099 0.000 0.872 346 L CB -0.376 41.697 42.059 0.023 0.000 0.992 346 L HN 0.414 nan 8.230 nan 0.000 0.447 347 T N -4.786 109.927 114.554 0.265 0.000 3.182 347 T HA 0.179 4.534 4.350 0.008 0.000 0.277 347 T C -0.056 174.958 174.700 0.522 0.000 1.013 347 T CA -0.358 61.950 62.100 0.347 0.000 0.900 347 T CB -0.142 68.961 68.868 0.392 0.000 1.098 347 T HN -0.097 nan 8.240 nan 0.000 0.543 348 F N 3.963 124.043 119.950 0.217 0.000 2.397 348 F HA 0.570 5.103 4.527 0.010 0.000 0.331 348 F C -2.368 173.468 175.800 0.060 0.000 1.090 348 F CA -2.654 55.442 58.000 0.161 0.000 1.065 348 F CB 1.565 40.464 39.000 -0.168 0.000 1.184 348 F HN -0.111 nan 8.300 nan 0.000 0.499 349 P HA 0.395 nan 4.420 nan 0.000 0.276 349 P C -0.461 176.628 177.300 -0.351 0.000 1.235 349 P CA 0.245 63.147 63.100 -0.331 0.000 0.772 349 P CB 0.811 32.308 31.700 -0.338 0.000 0.871 350 G N 1.735 110.371 108.800 -0.274 0.000 2.459 350 G HA2 0.267 4.232 3.960 0.008 0.000 0.685 350 G HA3 0.267 4.232 3.960 0.008 0.000 0.685 350 G C -0.900 173.894 174.900 -0.177 0.000 1.303 350 G CA -0.426 44.524 45.100 -0.250 0.000 0.907 350 G HN 0.550 nan 8.290 nan 0.000 0.632 351 A N 2.105 124.799 122.820 -0.209 0.000 2.454 351 A HA 0.716 5.041 4.320 0.008 0.000 0.260 351 A C -1.412 176.121 177.584 -0.085 0.000 1.106 351 A CA -0.450 51.508 52.037 -0.133 0.000 0.780 351 A CB 0.149 19.022 19.000 -0.211 0.000 1.044 351 A HN 0.713 nan 8.150 nan 0.000 0.498 352 P HA 0.249 nan 4.420 nan 0.000 0.282 352 P C -0.563 176.831 177.300 0.158 0.000 1.249 352 P CA -0.232 62.898 63.100 0.049 0.000 0.806 352 P CB 1.648 33.396 31.700 0.079 0.000 0.984 353 S N 3.019 118.810 115.700 0.151 0.000 2.605 353 S HA 0.541 5.016 4.470 0.008 0.000 0.308 353 S C -0.579 174.205 174.600 0.307 0.000 1.113 353 S CA -0.815 57.559 58.200 0.290 0.000 1.049 353 S CB -0.138 63.209 63.200 0.244 0.000 1.001 353 S HN 0.236 nan 8.310 nan 0.000 0.480 354 I N 5.001 125.793 120.570 0.370 0.000 2.336 354 I HA 0.305 4.480 4.170 0.008 0.000 0.292 354 I C -0.625 175.647 176.117 0.259 0.000 0.991 354 I CA -0.876 60.639 61.300 0.359 0.000 1.227 354 I CB 1.008 39.266 38.000 0.430 0.000 1.366 354 I HN 0.663 nan 8.210 nan 0.000 0.466 355 Y N 7.783 128.141 120.300 0.097 0.000 2.402 355 Y HA 0.117 4.671 4.550 0.008 0.000 0.333 355 Y C 0.115 175.973 175.900 -0.070 0.000 1.076 355 Y CA -0.582 57.514 58.100 -0.007 0.000 1.299 355 Y CB 0.330 38.805 38.460 0.024 0.000 1.197 355 Y HN 0.477 nan 8.280 nan 0.000 0.517 356 Y N 4.743 124.589 120.300 -0.758 0.000 2.802 356 Y HA 0.336 4.891 4.550 0.008 0.000 0.333 356 Y C 0.944 176.820 175.900 -0.041 0.000 1.244 356 Y CA 0.232 58.083 58.100 -0.415 0.000 1.558 356 Y CB 0.116 38.331 38.460 -0.409 0.000 1.233 356 Y HN 0.894 nan 8.280 nan 0.000 0.547 357 G N 3.199 111.988 108.800 -0.018 0.000 2.424 357 G HA2 -0.335 3.630 3.960 0.008 0.000 0.207 357 G HA3 -0.335 3.630 3.960 0.008 0.000 0.207 357 G C 0.827 175.706 174.900 -0.034 0.000 1.061 357 G CA 0.212 45.251 45.100 -0.102 0.000 0.657 357 G HN 0.582 nan 8.290 nan 0.000 0.508 358 D N 1.534 121.941 120.400 0.012 0.000 2.190 358 D HA -0.084 4.560 4.640 0.008 0.000 0.200 358 D C 2.437 178.661 176.300 -0.127 0.000 0.992 358 D CA 1.530 55.549 54.000 0.033 0.000 0.854 358 D CB -0.096 40.788 40.800 0.139 0.000 0.936 358 D HN 0.764 nan 8.370 nan 0.000 0.462 359 E N 0.861 120.893 120.200 -0.280 0.000 2.427 359 E HA -0.092 4.262 4.350 0.008 0.000 0.196 359 E C 1.483 177.961 176.600 -0.204 0.000 1.028 359 E CA 0.609 56.604 56.400 -0.674 0.000 0.864 359 E CB 0.003 29.442 29.700 -0.434 0.000 0.813 359 E HN 0.275 nan 8.360 nan 0.000 0.514 360 V N -3.465 116.376 119.914 -0.122 0.000 3.176 360 V HA 0.533 4.658 4.120 0.008 0.000 0.332 360 V C 1.159 177.246 176.094 -0.012 0.000 1.414 360 V CA -0.029 62.184 62.300 -0.145 0.000 1.133 360 V CB -0.040 31.488 31.823 -0.491 0.000 1.088 360 V HN 0.200 nan 8.190 nan 0.000 0.473 361 G N 0.877 109.693 108.800 0.027 0.000 2.153 361 G HA2 -0.270 3.695 3.960 0.008 0.000 0.252 361 G HA3 -0.270 3.695 3.960 0.008 0.000 0.252 361 G C -0.156 174.776 174.900 0.053 0.000 0.994 361 G CA 0.455 45.595 45.100 0.066 0.000 0.698 361 G HN 0.653 nan 8.290 nan 0.000 0.521 362 L N 2.264 123.504 121.223 0.030 0.000 2.490 362 L HA 0.419 4.764 4.340 0.008 0.000 0.274 362 L C -0.709 176.179 176.870 0.031 0.000 1.201 362 L CA -1.072 53.786 54.840 0.030 0.000 0.869 362 L CB 0.340 42.399 42.059 -0.000 0.000 1.123 362 L HN 0.126 nan 8.230 nan 0.000 0.484 363 P HA 0.470 nan 4.420 nan 0.000 0.279 363 P C -0.992 176.323 177.300 0.025 0.000 1.276 363 P CA -0.537 62.583 63.100 0.032 0.000 0.801 363 P CB 1.380 33.102 31.700 0.036 0.000 1.127 364 G N -1.006 107.805 108.800 0.018 0.000 2.030 364 G HA2 0.475 4.440 3.960 0.008 0.000 0.309 364 G HA3 0.475 4.440 3.960 0.008 0.000 0.309 364 G C -0.527 174.369 174.900 -0.005 0.000 1.668 364 G CA -0.222 44.884 45.100 0.010 0.000 0.926 364 G HN 0.645 nan 8.290 nan 0.000 0.652 365 G N 0.816 109.613 108.800 -0.005 0.000 2.583 365 G HA2 0.631 4.596 3.960 0.008 0.000 0.280 365 G HA3 0.631 4.596 3.960 0.008 0.000 0.280 365 G C 0.601 175.482 174.900 -0.033 0.000 1.376 365 G CA -0.730 44.362 45.100 -0.015 0.000 1.043 365 G HN 1.247 nan 8.290 nan 0.000 0.538 366 I N -0.802 119.745 120.570 -0.038 0.000 2.227 366 I HA 0.445 4.619 4.170 0.008 0.000 0.297 366 I C 0.675 176.761 176.117 -0.052 0.000 1.173 366 I CA -0.108 61.155 61.300 -0.060 0.000 1.356 366 I CB -1.601 36.360 38.000 -0.064 0.000 1.485 366 I HN 0.910 nan 8.210 nan 0.000 0.604 373 G N 1.095 110.060 108.800 0.275 0.000 2.793 373 G HA2 0.459 4.424 3.960 0.008 0.000 0.248 373 G HA3 0.459 4.424 3.960 0.008 0.000 0.248 373 G C -1.167 173.946 174.900 0.355 0.000 1.198 373 G CA -0.227 45.054 45.100 0.300 0.000 0.865 373 G HN 0.539 nan 8.290 nan 0.000 0.534 374 F N 0.456 120.540 119.950 0.222 0.000 2.688 374 F HA -0.157 4.375 4.527 0.008 0.000 0.276 374 F C -0.738 175.075 175.800 0.022 0.000 1.034 374 F CA 0.472 58.501 58.000 0.048 0.000 0.991 374 F CB -1.100 37.915 39.000 0.026 0.000 1.119 374 F HN 0.325 nan 8.300 nan 0.000 0.837 375 P HA -0.185 nan 4.420 nan 0.000 0.215 375 P C 1.313 178.677 177.300 0.107 0.000 1.153 375 P CA 1.314 64.463 63.100 0.080 0.000 0.853 375 P CB 0.215 31.974 31.700 0.099 0.000 0.788 376 L N -0.196 121.019 121.223 -0.013 0.000 2.762 376 L HA 0.095 4.440 4.340 0.008 0.000 0.250 376 L C 1.234 178.159 176.870 0.092 0.000 1.160 376 L CA 1.007 55.878 54.840 0.052 0.000 0.951 376 L CB -1.510 40.450 42.059 -0.165 0.000 1.148 376 L HN 0.183 nan 8.230 nan 0.000 0.424 380 W N 1.552 122.843 121.300 -0.015 0.000 2.257 380 W HA 0.118 4.783 4.660 0.009 0.000 0.337 380 W C 1.432 177.972 176.519 0.035 0.000 1.321 380 W CA -0.109 57.234 57.345 -0.004 0.000 1.267 380 W CB 0.085 29.494 29.460 -0.084 0.000 1.187 380 W HN 0.323 nan 8.180 nan 0.000 0.565 381 N N 3.596 122.439 118.700 0.239 0.000 2.663 381 N HA -0.058 4.687 4.740 0.008 0.000 0.250 381 N C 1.140 176.801 175.510 0.251 0.000 1.129 381 N CA 0.116 53.287 53.050 0.201 0.000 0.995 381 N CB 0.458 39.037 38.487 0.152 0.000 1.324 381 N HN 0.391 nan 8.380 nan 0.000 0.512 382 Q N 1.590 121.550 119.800 0.267 0.000 2.096 382 Q HA -0.244 4.101 4.340 0.008 0.000 0.208 382 Q C 1.287 177.473 176.000 0.310 0.000 0.993 382 Q CA 1.556 57.545 55.803 0.310 0.000 0.862 382 Q CB -0.036 28.841 28.738 0.231 0.000 0.915 382 Q HN 0.732 nan 8.270 nan 0.000 0.416 383 E N 0.060 120.395 120.200 0.224 0.000 2.049 383 E HA -0.184 4.171 4.350 0.008 0.000 0.198 383 E C 2.099 178.833 176.600 0.222 0.000 1.007 383 E CA 1.118 57.634 56.400 0.193 0.000 0.809 383 E CB -0.153 29.631 29.700 0.140 0.000 0.749 383 E HN 0.344 nan 8.360 nan 0.000 0.450 384 I N 0.336 121.043 120.570 0.228 0.000 2.361 384 I HA -0.233 3.942 4.170 0.008 0.000 0.251 384 I C 2.273 178.598 176.117 0.347 0.000 1.133 384 I CA 0.771 62.228 61.300 0.262 0.000 1.413 384 I CB -0.263 37.875 38.000 0.230 0.000 1.073 384 I HN 0.210 nan 8.210 nan 0.000 0.424 385 F N 2.200 122.238 119.950 0.146 0.000 2.113 385 F HA -0.222 4.310 4.527 0.009 0.000 0.297 385 F C 2.344 178.240 175.800 0.159 0.000 1.103 385 F CA 1.659 59.710 58.000 0.085 0.000 1.248 385 F CB -0.261 38.743 39.000 0.007 0.000 0.999 385 F HN 0.073 nan 8.300 nan 0.000 0.475 386 N N -0.089 118.779 118.700 0.281 0.000 2.166 386 N HA -0.149 4.595 4.740 0.008 0.000 0.186 386 N C 1.811 177.387 175.510 0.110 0.000 1.019 386 N CA 1.907 55.062 53.050 0.175 0.000 0.856 386 N CB -1.001 37.624 38.487 0.230 0.000 0.993 386 N HN 0.297 nan 8.380 nan 0.000 0.426 387 T N 0.950 115.597 114.554 0.155 0.000 2.720 387 T HA -0.122 4.233 4.350 0.008 0.000 0.268 387 T C 1.604 176.300 174.700 -0.006 0.000 1.037 387 T CA 1.060 63.246 62.100 0.143 0.000 1.144 387 T CB -0.245 68.700 68.868 0.129 0.000 0.864 387 T HN 0.385 nan 8.240 nan 0.000 0.444 388 H N 0.606 119.637 119.070 -0.065 0.000 2.276 388 H HA 0.027 4.588 4.556 0.008 0.000 0.301 388 H C 2.734 177.953 175.328 -0.181 0.000 1.073 388 H CA 1.712 57.685 56.048 -0.125 0.000 1.311 388 H CB -0.147 29.508 29.762 -0.177 0.000 1.379 388 H HN 0.202 nan 8.280 nan 0.000 0.494 389 R N 1.009 121.396 120.500 -0.188 0.000 2.083 389 R HA -0.181 4.164 4.340 0.008 0.000 0.237 389 R C 2.510 178.771 176.300 -0.066 0.000 1.137 389 R CA 1.924 57.899 56.100 -0.209 0.000 0.951 389 R CB -0.129 29.966 30.300 -0.342 0.000 0.851 389 R HN 0.360 nan 8.270 nan 0.000 0.434 390 Q N 0.223 120.017 119.800 -0.010 0.000 2.050 390 Q HA -0.167 4.178 4.340 0.008 0.000 0.202 390 Q C 2.175 178.189 176.000 0.024 0.000 0.980 390 Q CA 1.755 57.593 55.803 0.059 0.000 0.840 390 Q CB -0.073 28.759 28.738 0.156 0.000 0.898 390 Q HN 0.440 nan 8.270 nan 0.000 0.424 391 L N 0.277 121.468 121.223 -0.054 0.000 2.131 391 L HA -0.191 4.154 4.340 0.008 0.000 0.210 391 L C 2.346 179.188 176.870 -0.046 0.000 1.092 391 L CA 0.796 55.555 54.840 -0.135 0.000 0.759 391 L CB -0.324 41.585 42.059 -0.250 0.000 0.903 391 L HN 0.345 nan 8.230 nan 0.000 0.435 392 I N -0.747 119.807 120.570 -0.025 0.000 2.252 392 I HA -0.236 3.939 4.170 0.008 0.000 0.245 392 I C 2.493 178.622 176.117 0.020 0.000 1.102 392 I CA 1.281 62.583 61.300 0.004 0.000 1.385 392 I CB -0.452 37.544 38.000 -0.007 0.000 1.064 392 I HN 0.203 nan 8.210 nan 0.000 0.414 393 T N 1.283 115.847 114.554 0.016 0.000 2.720 393 T HA -0.149 4.206 4.350 0.008 0.000 0.268 393 T C 1.914 176.655 174.700 0.069 0.000 1.037 393 T CA 1.449 63.569 62.100 0.033 0.000 1.144 393 T CB -0.263 68.628 68.868 0.038 0.000 0.864 393 T HN 0.248 nan 8.240 nan 0.000 0.444 394 I N 0.470 121.099 120.570 0.098 0.000 2.315 394 I HA -0.125 4.050 4.170 0.008 0.000 0.248 394 I C 2.782 179.031 176.117 0.220 0.000 1.117 394 I CA 1.084 62.500 61.300 0.193 0.000 1.404 394 I CB -0.308 37.773 38.000 0.135 0.000 1.071 394 I HN 0.123 nan 8.210 nan 0.000 0.419 395 R N 0.597 121.170 120.500 0.121 0.000 2.115 395 R HA -0.139 4.206 4.340 0.008 0.000 0.226 395 R C 2.003 178.375 176.300 0.120 0.000 1.100 395 R CA 1.038 57.212 56.100 0.123 0.000 0.980 395 R CB 0.112 30.462 30.300 0.083 0.000 0.875 395 R HN 0.293 nan 8.270 nan 0.000 0.445 396 Q N -0.567 119.282 119.800 0.083 0.000 2.451 396 Q HA 0.006 4.351 4.340 0.008 0.000 0.206 396 Q C 1.265 177.271 176.000 0.009 0.000 0.947 396 Q CA 0.996 56.833 55.803 0.056 0.000 0.937 396 Q CB 0.654 29.412 28.738 0.033 0.000 1.025 396 Q HN 0.300 nan 8.270 nan 0.000 0.511 397 T N -0.547 114.000 114.554 -0.012 0.000 3.044 397 T HA 0.048 4.402 4.350 0.008 0.000 0.255 397 T C -0.286 174.141 174.700 -0.454 0.000 1.073 397 T CA 0.511 62.468 62.100 -0.238 0.000 1.125 397 T CB 0.107 68.781 68.868 -0.325 0.000 0.908 397 T HN 0.107 nan 8.240 nan 0.000 0.480 398 Y N 0.472 120.795 120.300 0.039 0.000 2.376 398 Y HA 0.364 4.918 4.550 0.007 0.000 0.326 398 Y C -2.145 173.791 175.900 0.060 0.000 0.970 398 Y CA -2.981 55.144 58.100 0.041 0.000 1.248 398 Y CB 1.448 39.926 38.460 0.029 0.000 1.117 398 Y HN -0.055 nan 8.280 nan 0.000 0.476 399 P HA -0.302 nan 4.420 nan 0.000 0.217 399 P C 1.391 178.788 177.300 0.161 0.000 1.148 399 P CA 2.437 65.638 63.100 0.167 0.000 0.834 399 P CB 0.351 32.132 31.700 0.134 0.000 0.783 400 A N -0.814 122.103 122.820 0.162 0.000 1.978 400 A HA -0.170 4.155 4.320 0.008 0.000 0.220 400 A C 2.098 179.757 177.584 0.125 0.000 1.170 400 A CA 1.376 53.492 52.037 0.131 0.000 0.636 400 A CB -1.586 17.475 19.000 0.102 0.000 0.810 400 A HN 0.170 nan 8.150 nan 0.000 0.448 401 L N -1.418 119.886 121.223 0.134 0.000 2.376 401 L HA -0.102 4.243 4.340 0.008 0.000 0.219 401 L C 2.689 179.621 176.870 0.102 0.000 1.133 401 L CA 0.679 55.593 54.840 0.122 0.000 0.816 401 L CB -0.306 41.828 42.059 0.125 0.000 0.933 401 L HN 0.412 nan 8.230 nan 0.000 0.449 402 R N -0.515 120.033 120.500 0.079 0.000 2.038 402 R HA 0.037 4.382 4.340 0.008 0.000 0.214 402 R C 1.846 178.103 176.300 -0.072 0.000 1.249 402 R CA 1.537 57.627 56.100 -0.015 0.000 1.025 402 R CB -0.486 29.794 30.300 -0.034 0.000 0.911 402 R HN 0.265 nan 8.270 nan 0.000 0.456 403 T N -1.421 113.119 114.554 -0.023 0.000 3.085 403 T HA 0.245 4.599 4.350 0.008 0.000 0.264 403 T C 0.855 175.683 174.700 0.214 0.000 1.019 403 T CA -0.245 61.869 62.100 0.023 0.000 0.910 403 T CB 0.599 69.468 68.868 0.003 0.000 1.059 403 T HN 0.231 nan 8.240 nan 0.000 0.542 404 G N 2.118 111.035 108.800 0.196 0.000 2.684 404 G HA2 0.422 4.386 3.960 0.008 0.000 0.255 404 G HA3 0.422 4.386 3.960 0.008 0.000 0.255 404 G C -0.117 174.970 174.900 0.312 0.000 1.219 404 G CA -0.363 44.863 45.100 0.210 0.000 0.901 404 G HN 0.529 nan 8.290 nan 0.000 0.548 405 D N -1.883 118.621 120.400 0.174 0.000 2.414 405 D HA 0.261 4.905 4.640 0.008 0.000 0.259 405 D C -0.896 175.528 176.300 0.206 0.000 1.269 405 D CA -0.393 53.655 54.000 0.081 0.000 1.028 405 D CB 0.612 41.349 40.800 -0.105 0.000 1.093 405 D HN 0.331 nan 8.370 nan 0.000 0.545 406 Y N -0.883 119.436 120.300 0.033 0.000 2.329 406 Y HA 0.305 4.859 4.550 0.007 0.000 0.328 406 Y C -1.172 174.777 175.900 0.082 0.000 0.992 406 Y CA -0.612 57.560 58.100 0.119 0.000 1.151 406 Y CB 1.425 39.954 38.460 0.116 0.000 1.150 406 Y HN 0.254 nan 8.280 nan 0.000 0.450 407 Q N 5.293 125.081 119.800 -0.019 0.000 2.310 407 Q HA 0.447 4.791 4.340 0.008 0.000 0.270 407 Q C -1.233 174.767 176.000 -0.000 0.000 1.025 407 Q CA -1.135 54.691 55.803 0.039 0.000 0.772 407 Q CB 2.922 31.662 28.738 0.005 0.000 1.253 407 Q HN 0.475 nan 8.270 nan 0.000 0.450 408 V N 4.025 123.999 119.914 0.099 0.000 2.521 408 V HA -0.033 4.091 4.120 0.008 0.000 0.286 408 V C 0.559 176.669 176.094 0.027 0.000 1.034 408 V CA 0.291 62.631 62.300 0.067 0.000 1.045 408 V CB 0.658 32.568 31.823 0.145 0.000 0.974 408 V HN 0.741 nan 8.190 nan 0.000 0.480 409 L N 5.090 126.312 121.223 -0.001 0.000 2.286 409 L HA 0.347 4.692 4.340 0.008 0.000 0.203 409 L C 0.075 177.025 176.870 0.132 0.000 1.068 409 L CA 1.044 55.906 54.840 0.038 0.000 0.811 409 L CB -0.436 41.626 42.059 0.005 0.000 0.989 409 L HN 0.720 nan 8.230 nan 0.000 0.467 410 Y N -0.835 119.436 120.300 -0.049 0.000 2.480 410 Y HA 0.616 5.171 4.550 0.008 0.000 0.329 410 Y C -1.403 174.524 175.900 0.045 0.000 1.127 410 Y CA -1.081 57.021 58.100 0.004 0.000 1.037 410 Y CB 1.552 40.018 38.460 0.009 0.000 1.320 410 Y HN -0.140 nan 8.280 nan 0.000 0.446 411 A N 5.735 128.345 122.820 -0.350 0.000 2.872 411 A HA 0.558 4.883 4.320 0.008 0.000 0.305 411 A C -1.664 175.752 177.584 -0.281 0.000 1.171 411 A CA -0.447 51.549 52.037 -0.067 0.000 0.782 411 A CB 0.615 19.727 19.000 0.187 0.000 1.329 411 A HN 0.671 nan 8.150 nan 0.000 0.432 412 Q N 0.437 120.027 119.800 -0.350 0.000 2.331 412 Q HA 0.611 4.956 4.340 0.008 0.000 0.272 412 Q C 0.700 176.777 176.000 0.128 0.000 1.062 412 Q CA -0.168 55.531 55.803 -0.174 0.000 0.806 412 Q CB 2.449 30.973 28.738 -0.357 0.000 1.312 412 Q HN 1.794 nan 8.270 nan 0.000 0.431 413 G N 1.853 110.763 108.800 0.184 0.000 2.557 413 G HA2 -0.364 3.601 3.960 0.008 0.000 0.292 413 G HA3 -0.364 3.601 3.960 0.008 0.000 0.292 413 G C 0.312 175.400 174.900 0.312 0.000 1.162 413 G CA 0.700 45.965 45.100 0.274 0.000 0.964 413 G HN 0.511 nan 8.290 nan 0.000 0.541 414 Q N -0.687 119.270 119.800 0.261 0.000 2.135 414 Q HA 0.629 4.974 4.340 0.008 0.000 0.222 414 Q C -0.325 175.889 176.000 0.356 0.000 0.808 414 Q CA -0.123 55.838 55.803 0.264 0.000 1.049 414 Q CB 0.597 29.389 28.738 0.089 0.000 1.168 414 Q HN 0.626 nan 8.270 nan 0.000 0.483 415 L N 1.164 122.621 121.223 0.390 0.000 2.305 415 L HA 0.509 4.854 4.340 0.008 0.000 0.284 415 L C -1.756 175.450 176.870 0.560 0.000 1.013 415 L CA -0.820 54.281 54.840 0.435 0.000 0.819 415 L CB 1.066 43.353 42.059 0.380 0.000 1.227 415 L HN 0.139 nan 8.230 nan 0.000 0.417 416 Y N 5.292 125.845 120.300 0.422 0.000 2.350 416 Y HA 0.727 5.281 4.550 0.007 0.000 0.338 416 Y C -1.628 174.526 175.900 0.423 0.000 0.961 416 Y CA -0.858 57.481 58.100 0.399 0.000 1.100 416 Y CB 1.467 40.158 38.460 0.384 0.000 1.179 416 Y HN 0.557 nan 8.280 nan 0.000 0.454 417 L N 7.767 128.921 121.223 -0.113 0.000 2.410 417 L HA 0.580 4.925 4.340 0.008 0.000 0.270 417 L C -1.162 175.608 176.870 -0.166 0.000 0.983 417 L CA -0.653 54.144 54.840 -0.072 0.000 0.822 417 L CB 1.584 43.655 42.059 0.020 0.000 1.285 417 L HN 0.587 nan 8.230 nan 0.000 0.409 418 F N 0.997 120.732 119.950 -0.359 0.000 2.662 418 F HA 1.009 5.541 4.527 0.007 0.000 0.312 418 F C -0.823 174.812 175.800 -0.275 0.000 1.113 418 F CA -1.491 56.280 58.000 -0.382 0.000 0.951 418 F CB 1.431 40.089 39.000 -0.570 0.000 1.344 418 F HN 0.526 nan 8.300 nan 0.000 0.462 419 A N 1.621 124.281 122.820 -0.267 0.000 2.401 419 A HA 0.922 5.247 4.320 0.008 0.000 0.310 419 A C -1.117 176.355 177.584 -0.185 0.000 1.075 419 A CA -1.026 50.844 52.037 -0.277 0.000 0.746 419 A CB 1.557 20.466 19.000 -0.152 0.000 1.277 419 A HN 0.682 nan 8.150 nan 0.000 0.425 420 R N 1.283 121.698 120.500 -0.142 0.000 2.437 420 R HA 0.656 5.000 4.340 0.008 0.000 0.310 420 R C -0.838 175.462 176.300 0.000 0.000 0.955 420 R CA -0.213 55.880 56.100 -0.012 0.000 0.851 420 R CB 1.367 31.685 30.300 0.031 0.000 1.161 420 R HN 0.950 nan 8.270 nan 0.000 0.446 421 T N -0.248 114.327 114.554 0.035 0.000 2.886 421 T HA 0.615 4.970 4.350 0.008 0.000 0.292 421 T C -0.869 173.865 174.700 0.057 0.000 1.012 421 T CA -0.844 61.277 62.100 0.034 0.000 0.982 421 T CB 1.449 70.329 68.868 0.020 0.000 1.018 421 T HN 0.252 nan 8.240 nan 0.000 0.451 422 L N 3.495 124.755 121.223 0.061 0.000 2.446 422 L HA 0.686 5.031 4.340 0.008 0.000 0.268 422 L C 0.797 177.695 176.870 0.048 0.000 0.975 422 L CA 1.332 56.214 54.840 0.069 0.000 0.848 422 L CB 0.821 42.938 42.059 0.096 0.000 1.225 422 L HN 1.338 nan 8.230 nan 0.000 0.410 423 G N 3.284 112.101 108.800 0.028 0.000 2.629 423 G HA2 -0.466 3.499 3.960 0.008 0.000 0.313 423 G HA3 -0.466 3.499 3.960 0.008 0.000 0.313 423 G C 0.857 175.756 174.900 -0.003 0.000 1.217 423 G CA 1.225 46.330 45.100 0.007 0.000 0.994 423 G HN 1.140 nan 8.290 nan 0.000 0.549 424 T N -0.824 113.731 114.554 0.002 0.000 2.857 424 T HA 0.139 4.494 4.350 0.008 0.000 0.266 424 T C 1.165 175.881 174.700 0.026 0.000 1.048 424 T CA 1.696 63.797 62.100 0.002 0.000 1.139 424 T CB -0.117 68.754 68.868 0.006 0.000 0.874 424 T HN 0.753 nan 8.240 nan 0.000 0.455 425 E N 1.868 122.094 120.200 0.043 0.000 2.480 425 E HA 0.064 4.419 4.350 0.008 0.000 0.258 425 E C -0.768 175.855 176.600 0.038 0.000 0.984 425 E CA 0.284 56.721 56.400 0.060 0.000 0.930 425 E CB 0.274 30.034 29.700 0.099 0.000 0.936 425 E HN 0.548 nan 8.360 nan 0.000 0.466 426 E N 4.443 124.653 120.200 0.016 0.000 2.241 426 E HA 0.349 4.703 4.350 0.008 0.000 0.263 426 E C -0.972 175.591 176.600 -0.062 0.000 0.882 426 E CA -0.501 55.891 56.400 -0.013 0.000 0.769 426 E CB 1.511 31.210 29.700 -0.002 0.000 1.185 426 E HN 0.387 nan 8.360 nan 0.000 0.415 427 L N 3.816 124.979 121.223 -0.100 0.000 2.362 427 L HA 0.602 4.947 4.340 0.008 0.000 0.271 427 L C -0.560 176.177 176.870 -0.222 0.000 1.002 427 L CA -0.873 53.866 54.840 -0.169 0.000 0.818 427 L CB 1.744 43.684 42.059 -0.198 0.000 1.298 427 L HN 0.437 nan 8.230 nan 0.000 0.420 428 I N 4.091 124.523 120.570 -0.230 0.000 2.378 428 I HA 0.382 4.557 4.170 0.008 0.000 0.291 428 I C -0.646 175.272 176.117 -0.331 0.000 0.992 428 I CA -0.603 60.531 61.300 -0.277 0.000 1.154 428 I CB 1.757 39.650 38.000 -0.178 0.000 1.315 428 I HN 0.298 nan 8.210 nan 0.000 0.448 429 I N 5.492 125.724 120.570 -0.564 0.000 2.378 429 I HA 0.635 4.810 4.170 0.008 0.000 0.291 429 I C 0.173 176.148 176.117 -0.238 0.000 0.992 429 I CA -0.715 60.287 61.300 -0.497 0.000 1.154 429 I CB 1.319 38.755 38.000 -0.941 0.000 1.315 429 I HN 0.520 nan 8.210 nan 0.000 0.448 430 A N 7.539 130.360 122.820 0.001 0.000 2.355 430 A HA 0.888 5.212 4.320 0.008 0.000 0.317 430 A C -0.837 176.892 177.584 0.242 0.000 1.094 430 A CA -0.498 51.615 52.037 0.127 0.000 0.764 430 A CB 1.611 20.648 19.000 0.060 0.000 1.230 430 A HN 0.530 nan 8.150 nan 0.000 0.448 431 I N 2.182 122.962 120.570 0.350 0.000 2.478 431 I HA 0.303 4.478 4.170 0.008 0.000 0.287 431 I C -0.447 175.845 176.117 0.292 0.000 1.042 431 I CA -0.229 61.273 61.300 0.337 0.000 1.067 431 I CB 1.665 39.960 38.000 0.491 0.000 1.233 431 I HN 0.881 nan 8.210 nan 0.000 0.431 432 N N 4.394 123.182 118.700 0.147 0.000 2.564 432 N HA 0.456 5.201 4.740 0.008 0.000 0.248 432 N C 0.467 175.964 175.510 -0.020 0.000 0.986 432 N CA -0.147 52.967 53.050 0.106 0.000 0.921 432 N CB 1.512 40.045 38.487 0.078 0.000 1.136 432 N HN 0.738 nan 8.380 nan 0.000 0.509 433 A N 2.595 125.347 122.820 -0.114 0.000 2.218 433 A HA 0.237 4.562 4.320 0.008 0.000 0.209 433 A C 1.109 178.582 177.584 -0.184 0.000 1.168 433 A CA -0.002 51.845 52.037 -0.318 0.000 0.804 433 A CB -0.088 18.427 19.000 -0.809 0.000 0.834 433 A HN 0.613 nan 8.150 nan 0.000 0.482 434 G N -0.942 107.814 108.800 -0.074 0.000 2.606 434 G HA2 0.325 4.290 3.960 0.008 0.000 0.252 434 G HA3 0.325 4.290 3.960 0.008 0.000 0.252 434 G C 0.957 175.832 174.900 -0.042 0.000 1.206 434 G CA 0.501 45.573 45.100 -0.048 0.000 0.861 434 G HN 0.445 nan 8.290 nan 0.000 0.561 435 T N -2.681 111.853 114.554 -0.034 0.000 3.129 435 T HA 0.250 4.605 4.350 0.008 0.000 0.251 435 T C 1.032 175.727 174.700 -0.007 0.000 1.117 435 T CA 0.539 62.624 62.100 -0.025 0.000 1.034 435 T CB 0.091 68.945 68.868 -0.024 0.000 0.968 435 T HN 0.493 nan 8.240 nan 0.000 0.526 436 S N 0.385 116.088 115.700 0.004 0.000 2.600 436 S HA 0.603 5.078 4.470 0.008 0.000 0.300 436 S C -0.163 174.449 174.600 0.019 0.000 1.087 436 S CA -0.658 57.550 58.200 0.013 0.000 0.965 436 S CB 1.885 65.098 63.200 0.021 0.000 1.089 436 S HN 0.328 nan 8.310 nan 0.000 0.496 437 S N 1.405 117.116 115.700 0.017 0.000 2.563 437 S HA 0.562 5.037 4.470 0.008 0.000 0.284 437 S C -0.167 174.452 174.600 0.030 0.000 1.331 437 S CA 0.242 58.453 58.200 0.019 0.000 1.047 437 S CB -0.136 63.071 63.200 0.012 0.000 0.859 437 S HN 1.200 nan 8.310 nan 0.000 0.514 438 A N 2.695 125.535 122.820 0.034 0.000 2.572 438 A HA 0.746 5.071 4.320 0.008 0.000 0.295 438 A C -0.307 177.291 177.584 0.023 0.000 1.072 438 A CA -0.425 51.639 52.037 0.046 0.000 0.691 438 A CB 1.752 20.801 19.000 0.082 0.000 1.291 438 A HN 1.048 nan 8.150 nan 0.000 0.404 439 T N -1.036 113.524 114.554 0.010 0.000 2.893 439 T HA 0.830 5.185 4.350 0.008 0.000 0.293 439 T C -0.526 174.113 174.700 -0.102 0.000 1.027 439 T CA 0.054 62.130 62.100 -0.040 0.000 0.988 439 T CB 1.631 70.479 68.868 -0.033 0.000 1.043 439 T HN 2.151 nan 8.240 nan 0.000 0.461 440 A N 2.885 125.562 122.820 -0.237 0.000 2.355 440 A HA 0.739 5.063 4.320 0.008 0.000 0.317 440 A C -0.439 176.925 177.584 -0.367 0.000 1.094 440 A CA -1.083 50.637 52.037 -0.528 0.000 0.764 440 A CB 0.902 19.179 19.000 -1.206 0.000 1.230 440 A HN 0.945 nan 8.150 nan 0.000 0.448 441 N N 0.864 119.400 118.700 -0.274 0.000 2.469 441 N HA 0.536 5.281 4.740 0.008 0.000 0.253 441 N C -1.141 174.312 175.510 -0.096 0.000 0.970 441 N CA -0.448 52.526 53.050 -0.128 0.000 0.940 441 N CB 1.889 40.351 38.487 -0.042 0.000 1.128 441 N HN 0.410 nan 8.380 nan 0.000 0.503 442 V N 0.554 120.417 119.914 -0.085 0.000 2.735 442 V HA 0.291 4.416 4.120 0.008 0.000 0.310 442 V C -0.538 175.553 176.094 -0.006 0.000 1.061 442 V CA -0.922 61.372 62.300 -0.010 0.000 0.913 442 V CB 2.190 34.006 31.823 -0.012 0.000 1.005 442 V HN 0.541 nan 8.190 nan 0.000 0.428 443 D N 2.096 122.506 120.400 0.017 0.000 2.441 443 D HA 0.413 5.058 4.640 0.008 0.000 0.221 443 D C -0.152 176.144 176.300 -0.007 0.000 1.156 443 D CA -0.009 53.991 54.000 0.001 0.000 0.896 443 D CB 1.012 41.817 40.800 0.008 0.000 1.028 443 D HN 0.381 nan 8.370 nan 0.000 0.509 444 V N 3.521 123.421 119.914 -0.024 0.000 2.169 444 V HA 0.324 4.448 4.120 0.008 0.000 0.271 444 V C 1.256 177.317 176.094 -0.055 0.000 1.372 444 V CA -0.323 61.957 62.300 -0.035 0.000 1.348 444 V CB 0.346 32.144 31.823 -0.042 0.000 1.379 444 V HN 0.623 nan 8.190 nan 0.000 0.491 445 A N 1.100 123.886 122.820 -0.057 0.000 2.251 445 A HA 0.116 4.440 4.320 0.008 0.000 0.209 445 A C 1.994 179.506 177.584 -0.121 0.000 1.187 445 A CA 0.675 52.658 52.037 -0.091 0.000 0.823 445 A CB -0.002 18.956 19.000 -0.071 0.000 0.846 445 A HN 0.568 nan 8.150 nan 0.000 0.486 446 S N -0.464 115.187 115.700 -0.082 0.000 2.527 446 S HA 0.198 4.673 4.470 0.008 0.000 0.222 446 S C 0.200 174.765 174.600 -0.060 0.000 0.985 446 S CA 0.214 58.377 58.200 -0.062 0.000 0.921 446 S CB -0.165 63.020 63.200 -0.025 0.000 0.772 446 S HN 0.344 nan 8.310 nan 0.000 0.529 447 L N 0.916 122.088 121.223 -0.085 0.000 2.334 447 L HA 0.421 4.766 4.340 0.008 0.000 0.275 447 L C 0.475 177.271 176.870 -0.122 0.000 1.036 447 L CA -0.084 54.736 54.840 -0.034 0.000 0.807 447 L CB 0.754 42.797 42.059 -0.027 0.000 1.231 447 L HN 0.039 nan 8.230 nan 0.000 0.438 448 H N -1.370 117.690 119.070 -0.016 0.000 2.586 448 H HA 0.211 4.771 4.556 0.008 0.000 0.273 448 H C 0.369 175.690 175.328 -0.011 0.000 0.997 448 H CA 0.444 56.485 56.048 -0.012 0.000 1.177 448 H CB 0.362 30.120 29.762 -0.008 0.000 1.471 448 H HN 0.700 nan 8.280 nan 0.000 0.538 449 T N -2.342 112.256 114.554 0.073 0.000 2.858 449 T HA 0.439 4.794 4.350 0.008 0.000 0.285 449 T C -0.388 174.314 174.700 0.002 0.000 1.052 449 T CA -1.110 61.011 62.100 0.037 0.000 1.009 449 T CB 2.203 71.092 68.868 0.035 0.000 1.241 449 T HN 0.079 nan 8.240 nan 0.000 0.542 450 Q N 0.998 120.795 119.800 -0.005 0.000 2.798 450 Q HA 0.304 4.648 4.340 0.008 0.000 0.250 450 Q C -2.737 173.248 176.000 -0.025 0.000 1.006 450 Q CA -1.877 53.914 55.803 -0.020 0.000 0.759 450 Q CB 1.289 30.016 28.738 -0.019 0.000 1.201 450 Q HN 0.468 nan 8.270 nan 0.000 0.486 451 P HA -0.098 nan 4.420 nan 0.000 0.256 451 P C 0.053 177.327 177.300 -0.044 0.000 1.189 451 P CA 0.618 63.691 63.100 -0.046 0.000 0.808 451 P CB 0.249 31.907 31.700 -0.070 0.000 0.793 452 N N 2.429 121.110 118.700 -0.033 0.000 2.159 452 N HA 0.019 4.763 4.740 0.008 0.000 0.217 452 N C 0.007 175.503 175.510 -0.024 0.000 1.223 452 N CA -0.067 52.966 53.050 -0.028 0.000 0.896 452 N CB 0.648 39.123 38.487 -0.020 0.000 1.064 452 N HN 0.246 nan 8.380 nan 0.000 0.518 453 K N 1.414 121.799 120.400 -0.025 0.000 2.185 453 K HA 0.250 4.574 4.320 0.008 0.000 0.269 453 K C -0.690 175.896 176.600 -0.024 0.000 0.987 453 K CA -0.629 55.648 56.287 -0.017 0.000 0.865 453 K CB 1.128 33.626 32.500 -0.004 0.000 1.090 453 K HN -0.079 nan 8.250 nan 0.000 0.450 454 L N 6.788 128.002 121.223 -0.014 0.000 2.315 454 L HA 0.127 4.472 4.340 0.008 0.000 0.283 454 L C 0.966 177.841 176.870 0.007 0.000 1.089 454 L CA 0.469 55.302 54.840 -0.011 0.000 0.833 454 L CB 0.736 42.785 42.059 -0.017 0.000 1.170 454 L HN 0.816 nan 8.230 nan 0.000 0.442 455 L N 5.069 126.301 121.223 0.014 0.000 2.554 455 L HA 0.152 4.497 4.340 0.008 0.000 0.225 455 L C -0.350 176.609 176.870 0.149 0.000 1.104 455 L CA 0.069 54.937 54.840 0.047 0.000 0.866 455 L CB 0.149 42.178 42.059 -0.050 0.000 1.047 455 L HN 0.513 nan 8.230 nan 0.000 0.468 456 Y N -0.358 119.931 120.300 -0.020 0.000 2.521 456 Y HA 0.474 5.029 4.550 0.009 0.000 0.326 456 Y C 0.145 176.043 175.900 -0.004 0.000 1.176 456 Y CA -0.278 57.821 58.100 -0.002 0.000 1.079 456 Y CB 0.757 39.217 38.460 -0.001 0.000 1.341 456 Y HN 0.074 nan 8.280 nan 0.000 0.456 457 G N 2.346 110.677 108.800 -0.782 0.000 2.750 457 G HA2 0.214 4.178 3.960 0.008 0.000 0.228 457 G HA3 0.214 4.178 3.960 0.008 0.000 0.228 457 G C -0.573 174.204 174.900 -0.205 0.000 1.367 457 G CA -0.156 44.644 45.100 -0.500 0.000 0.871 457 G HN 1.752 nan 8.290 nan 0.000 0.560 458 T N -2.631 111.847 114.554 -0.126 0.000 2.900 458 T HA 1.026 5.381 4.350 0.008 0.000 0.295 458 T C -0.020 174.655 174.700 -0.041 0.000 1.044 458 T CA 0.610 62.667 62.100 -0.071 0.000 0.995 458 T CB 1.872 70.703 68.868 -0.062 0.000 1.072 458 T HN 2.628 nan 8.240 nan 0.000 0.473 471 Q N 2.071 121.853 119.800 -0.030 0.000 2.316 471 Q HA 0.757 5.102 4.340 0.008 0.000 0.264 471 Q C -1.754 174.225 176.000 -0.035 0.000 0.987 471 Q CA -0.364 55.422 55.803 -0.028 0.000 0.852 471 Q CB 1.709 30.434 28.738 -0.022 0.000 1.287 471 Q HN 0.627 nan 8.270 nan 0.000 0.448 472 L N 2.478 123.674 121.223 -0.045 0.000 2.386 472 L HA 0.747 5.092 4.340 0.008 0.000 0.271 472 L C -1.268 175.557 176.870 -0.074 0.000 0.993 472 L CA -0.462 54.343 54.840 -0.057 0.000 0.819 472 L CB 2.243 44.264 42.059 -0.065 0.000 1.294 472 L HN 0.719 nan 8.230 nan 0.000 0.414 473 S N 5.736 121.394 115.700 -0.069 0.000 2.669 473 S HA 0.484 4.958 4.470 0.008 0.000 0.315 473 S C -1.186 173.366 174.600 -0.079 0.000 1.106 473 S CA -0.650 57.504 58.200 -0.077 0.000 1.107 473 S CB 0.722 63.891 63.200 -0.052 0.000 0.990 473 S HN 0.540 nan 8.310 nan 0.000 0.471 474 L N 5.338 126.497 121.223 -0.107 0.000 2.313 474 L HA 0.610 4.955 4.340 0.008 0.000 0.283 474 L C -0.755 176.072 176.870 -0.073 0.000 1.013 474 L CA -0.055 54.733 54.840 -0.087 0.000 0.816 474 L CB 1.499 43.499 42.059 -0.099 0.000 1.236 474 L HN 0.614 nan 8.230 nan 0.000 0.419 475 T N 6.515 121.043 114.554 -0.044 0.000 2.786 475 T HA 0.562 4.917 4.350 0.008 0.000 0.283 475 T C -0.169 174.524 174.700 -0.012 0.000 0.992 475 T CA -0.274 61.811 62.100 -0.026 0.000 0.954 475 T CB 1.330 70.186 68.868 -0.020 0.000 0.934 475 T HN 0.431 nan 8.240 nan 0.000 0.440 476 L N 5.332 126.556 121.223 0.002 0.000 2.346 476 L HA 0.504 4.848 4.340 0.008 0.000 0.276 476 L C -2.276 174.602 176.870 0.014 0.000 1.006 476 L CA -2.520 52.327 54.840 0.013 0.000 0.817 476 L CB 2.514 44.593 42.059 0.035 0.000 1.272 476 L HN 0.356 nan 8.230 nan 0.000 0.421 477 P HA 0.100 nan 4.420 nan 0.000 0.273 477 P C -0.911 176.394 177.300 0.007 0.000 1.250 477 P CA -0.371 62.731 63.100 0.003 0.000 0.793 477 P CB 0.547 32.244 31.700 -0.005 0.000 1.011 478 A N 1.619 124.441 122.820 0.003 0.000 2.462 478 A HA 0.128 4.453 4.320 0.008 0.000 0.243 478 A C 0.352 177.929 177.584 -0.012 0.000 1.076 478 A CA -0.132 51.904 52.037 -0.003 0.000 0.773 478 A CB -0.540 18.456 19.000 -0.006 0.000 1.010 478 A HN 0.625 nan 8.150 nan 0.000 0.493 479 R N 0.237 120.720 120.500 -0.028 0.000 3.188 479 R HA -0.132 4.212 4.340 0.008 0.000 0.247 479 R C -0.482 175.806 176.300 -0.018 0.000 0.918 479 R CA 1.090 57.163 56.100 -0.045 0.000 0.629 479 R CB -2.520 27.752 30.300 -0.046 0.000 1.087 479 R HN 0.676 nan 8.270 nan 0.000 0.462 480 S N -1.724 113.976 115.700 0.001 0.000 2.607 480 S HA 0.854 5.329 4.470 0.008 0.000 0.273 480 S C -0.044 174.597 174.600 0.068 0.000 1.148 480 S CA -0.151 58.066 58.200 0.029 0.000 0.833 480 S CB 2.679 65.887 63.200 0.013 0.000 1.130 480 S HN 0.561 nan 8.310 nan 0.000 0.470 481 G N -0.133 108.735 108.800 0.114 0.000 2.672 481 G HA2 0.724 4.688 3.960 0.008 0.000 0.292 481 G HA3 0.724 4.688 3.960 0.008 0.000 0.292 481 G C -0.817 174.207 174.900 0.205 0.000 1.375 481 G CA -0.443 44.761 45.100 0.174 0.000 0.890 481 G HN 1.311 nan 8.290 nan 0.000 0.476 482 C N -0.699 118.716 119.300 0.192 0.000 3.241 482 C HA 0.857 5.322 4.460 0.008 0.000 0.312 482 C C -0.861 174.215 174.990 0.143 0.000 1.350 482 C CA -1.146 57.986 59.018 0.190 0.000 1.415 482 C CB 0.746 28.522 27.740 0.060 0.000 1.770 482 C HN 0.749 nan 8.230 nan 0.000 0.466 483 I N 1.868 122.518 120.570 0.133 0.000 2.447 483 I HA 0.431 4.606 4.170 0.008 0.000 0.287 483 I C -0.805 175.284 176.117 -0.046 0.000 1.023 483 I CA -0.451 60.849 61.300 0.000 0.000 1.083 483 I CB 1.636 39.627 38.000 -0.015 0.000 1.245 483 I HN 0.568 nan 8.210 nan 0.000 0.434 484 L N 5.508 126.670 121.223 -0.101 0.000 2.282 484 L HA 0.538 4.883 4.340 0.008 0.000 0.288 484 L C 0.919 177.705 176.870 -0.140 0.000 1.033 484 L CA -0.130 54.651 54.840 -0.099 0.000 0.807 484 L CB 1.738 43.745 42.059 -0.087 0.000 1.209 484 L HN 0.764 nan 8.230 nan 0.000 0.423 485 G N 1.415 110.140 108.800 -0.126 0.000 2.992 485 G HA2 0.450 4.415 3.960 0.008 0.000 0.195 485 G HA3 0.450 4.415 3.960 0.008 0.000 0.195 485 G C -0.090 174.767 174.900 -0.073 0.000 2.032 485 G CA 0.411 45.423 45.100 -0.147 0.000 0.831 485 G HN 0.534 nan 8.290 nan 0.000 0.647 486 T N 0.000 114.537 114.554 -0.029 0.000 3.816 486 T HA 0.000 4.355 4.350 0.008 0.000 0.228 486 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 486 T CB 0.000 68.870 68.868 0.003 0.000 0.612 486 T HN 0.000 nan 8.240 nan 0.000 0.658