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 2xed_1_D DATA FIRST_RESID 2 DATA SEQUENCE GIRRIGLVVP SSNVTVETEM PALLSRHPGA EFSFHSTRMR MHTVSPEGLA DATA SEQUENCE AMNAQRERCV LEIADAAPEV ILYACLVAVM VGGPGEHHRV ESAVAEQLAT DATA SEQUENCE GGSQALVRSS AGALVEGLRA LDAQRVALVT PYMRPLAEKV VAYLEAEGFT DATA SEQUENCE ISDWRALEVA DNTEVGCIPG EQVMAAARSL DLSEVDALVI SCAVQMPSLP DATA SEQUENCE LVETAEREFG IPVLSAATAG AYSILRSLDL PVAVPGAGRL LRQDS 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2 G C 0.000 174.819 174.900 -0.136 0.000 0.946 2 G CA 0.000 45.046 45.100 -0.091 0.000 0.502 3 I N 3.682 124.180 120.570 -0.120 0.000 2.533 3 I HA 0.338 4.509 4.170 0.000 0.000 0.284 3 I C 0.114 176.140 176.117 -0.153 0.000 1.109 3 I CA -0.286 60.923 61.300 -0.151 0.000 1.412 3 I CB 0.844 38.796 38.000 -0.081 0.000 1.396 3 I HN -0.032 nan 8.210 nan 0.000 0.543 4 R N 7.239 127.594 120.500 -0.242 0.000 2.202 4 R HA 0.376 4.716 4.340 0.000 0.000 0.334 4 R C -0.309 175.965 176.300 -0.044 0.000 1.036 4 R CA -0.428 55.585 56.100 -0.146 0.000 0.878 4 R CB 0.236 30.416 30.300 -0.200 0.000 1.067 4 R HN 0.485 nan 8.270 nan 0.000 0.457 5 R N 3.145 123.634 120.500 -0.019 0.000 2.221 5 R HA 0.389 4.729 4.340 0.000 0.000 0.327 5 R C -0.053 176.261 176.300 0.023 0.000 1.033 5 R CA -0.575 55.540 56.100 0.025 0.000 0.887 5 R CB 0.968 31.258 30.300 -0.017 0.000 1.057 5 R HN 0.338 nan 8.270 nan 0.000 0.455 6 I N 2.289 122.856 120.570 -0.005 0.000 2.362 6 I HA 0.274 4.444 4.170 0.000 0.000 0.289 6 I C 0.794 176.988 176.117 0.128 0.000 0.994 6 I CA -0.619 60.671 61.300 -0.016 0.000 1.158 6 I CB 1.388 39.261 38.000 -0.212 0.000 1.315 6 I HN 0.632 nan 8.210 nan 0.000 0.451 7 G N 6.964 115.836 108.800 0.119 0.000 2.348 7 G HA2 0.664 4.624 3.960 0.000 0.000 0.312 7 G HA3 0.664 4.624 3.960 0.000 0.000 0.312 7 G C -0.723 174.251 174.900 0.123 0.000 1.126 7 G CA -0.448 44.732 45.100 0.133 0.000 0.865 7 G HN 0.485 nan 8.290 nan 0.000 0.474 8 L N 2.378 123.673 121.223 0.119 0.000 2.349 8 L HA 0.369 4.709 4.340 0.000 0.000 0.278 8 L C -0.484 176.401 176.870 0.025 0.000 0.996 8 L CA -1.066 53.820 54.840 0.076 0.000 0.825 8 L CB 2.344 44.452 42.059 0.082 0.000 1.243 8 L HN 0.163 nan 8.230 nan 0.000 0.412 9 V N 4.484 124.383 119.914 -0.026 0.000 2.334 9 V HA 0.353 4.473 4.120 0.000 0.000 0.267 9 V C 0.100 176.077 176.094 -0.194 0.000 1.040 9 V CA -0.543 61.693 62.300 -0.106 0.000 0.866 9 V CB 1.494 33.231 31.823 -0.143 0.000 1.019 9 V HN 0.527 nan 8.190 nan 0.000 0.468 10 V N 4.071 123.904 119.914 -0.134 0.000 2.769 10 V HA 0.758 4.878 4.120 0.000 0.000 0.312 10 V C -2.797 173.232 176.094 -0.108 0.000 1.061 10 V CA -3.090 59.137 62.300 -0.122 0.000 0.931 10 V CB 2.104 33.888 31.823 -0.066 0.000 1.010 10 V HN 0.573 nan 8.190 nan 0.000 0.433 11 P HA 0.121 nan 4.420 nan 0.000 0.265 11 P C 1.134 178.418 177.300 -0.028 0.000 1.193 11 P CA 0.661 63.727 63.100 -0.057 0.000 0.765 11 P CB 0.878 32.555 31.700 -0.039 0.000 0.823 12 S N 1.842 117.537 115.700 -0.009 0.000 2.402 12 S HA -0.202 4.268 4.470 0.000 0.000 0.233 12 S C 1.674 176.280 174.600 0.010 0.000 1.030 12 S CA 1.746 59.948 58.200 0.004 0.000 1.003 12 S CB -1.320 61.892 63.200 0.019 0.000 0.813 12 S HN 0.535 nan 8.310 nan 0.000 0.477 13 S N 1.130 116.845 115.700 0.024 0.000 2.528 13 S HA 0.120 4.590 4.470 0.000 0.000 0.219 13 S C 0.669 175.276 174.600 0.010 0.000 0.985 13 S CA -0.320 57.897 58.200 0.029 0.000 0.914 13 S CB -0.751 62.492 63.200 0.070 0.000 0.776 13 S HN 0.535 nan 8.310 nan 0.000 0.526 14 N N 2.166 120.865 118.700 -0.002 0.000 2.452 14 N HA 0.055 4.795 4.740 0.000 0.000 0.266 14 N C 0.853 176.349 175.510 -0.023 0.000 1.209 14 N CA 0.569 53.611 53.050 -0.014 0.000 0.929 14 N CB 1.555 40.026 38.487 -0.026 0.000 1.063 14 N HN 0.314 nan 8.380 nan 0.000 0.472 15 V N 0.759 120.658 119.914 -0.026 0.000 3.604 15 V HA 0.142 4.263 4.120 0.000 0.000 0.277 15 V C 1.637 177.703 176.094 -0.047 0.000 1.399 15 V CA 0.254 62.534 62.300 -0.034 0.000 1.034 15 V CB 0.021 31.828 31.823 -0.028 0.000 0.824 15 V HN 0.489 nan 8.190 nan 0.000 0.439 16 T N 0.652 115.178 114.554 -0.046 0.000 2.851 16 T HA -0.063 4.288 4.350 0.000 0.000 0.262 16 T C 1.896 176.551 174.700 -0.075 0.000 1.043 16 T CA 1.882 63.950 62.100 -0.055 0.000 1.140 16 T CB 0.237 69.078 68.868 -0.045 0.000 0.872 16 T HN 0.283 nan 8.240 nan 0.000 0.446 17 V N 1.552 121.422 119.914 -0.074 0.000 2.427 17 V HA -0.116 4.004 4.120 0.000 0.000 0.248 17 V C 2.176 178.181 176.094 -0.149 0.000 1.051 17 V CA 1.810 64.053 62.300 -0.094 0.000 1.048 17 V CB -0.368 31.413 31.823 -0.069 0.000 0.666 17 V HN 0.510 nan 8.190 nan 0.000 0.456 18 E N -0.793 119.326 120.200 -0.134 0.000 2.409 18 E HA -0.117 4.234 4.350 0.000 0.000 0.198 18 E C 1.972 178.448 176.600 -0.206 0.000 1.024 18 E CA 1.442 57.736 56.400 -0.175 0.000 0.861 18 E CB 0.018 29.656 29.700 -0.103 0.000 0.788 18 E HN 0.653 nan 8.360 nan 0.000 0.521 19 T N 0.158 114.616 114.554 -0.160 0.000 2.925 19 T HA -0.006 4.344 4.350 0.000 0.000 0.245 19 T C 1.580 176.181 174.700 -0.165 0.000 1.025 19 T CA 0.408 62.423 62.100 -0.142 0.000 1.149 19 T CB -0.019 68.794 68.868 -0.091 0.000 0.866 19 T HN 0.095 nan 8.240 nan 0.000 0.437 20 E N 0.696 120.807 120.200 -0.147 0.000 2.107 20 E HA -0.042 4.308 4.350 0.000 0.000 0.191 20 E C 2.070 178.563 176.600 -0.179 0.000 0.982 20 E CA 0.827 57.149 56.400 -0.130 0.000 0.809 20 E CB -0.160 29.485 29.700 -0.092 0.000 0.756 20 E HN 0.189 nan 8.360 nan 0.000 0.459 21 M N 0.781 120.225 119.600 -0.261 0.000 2.067 21 M HA -0.065 4.415 4.480 0.000 0.000 0.260 21 M C -1.223 174.780 176.300 -0.494 0.000 1.069 21 M CA 1.668 56.769 55.300 -0.333 0.000 1.117 21 M CB -0.699 31.699 32.600 -0.338 0.000 1.334 21 M HN -0.071 nan 8.290 nan 0.000 0.407 22 P HA -0.027 nan 4.420 nan 0.000 0.216 22 P C 1.095 178.299 177.300 -0.161 0.000 1.153 22 P CA 2.051 64.803 63.100 -0.580 0.000 0.848 22 P CB -0.351 31.015 31.700 -0.557 0.000 0.787 23 A N -0.652 122.075 122.820 -0.155 0.000 1.933 23 A HA -0.169 4.151 4.320 0.000 0.000 0.218 23 A C 2.241 179.807 177.584 -0.030 0.000 1.175 23 A CA 1.340 53.338 52.037 -0.065 0.000 0.628 23 A CB -1.644 17.315 19.000 -0.068 0.000 0.814 23 A HN 0.164 nan 8.150 nan 0.000 0.444 24 L N -0.736 120.455 121.223 -0.054 0.000 2.023 24 L HA -0.036 4.304 4.340 0.000 0.000 0.205 24 L C 2.317 179.199 176.870 0.020 0.000 1.073 24 L CA 1.183 56.012 54.840 -0.019 0.000 0.745 24 L CB -0.191 41.844 42.059 -0.040 0.000 0.900 24 L HN 0.379 nan 8.230 nan 0.000 0.435 25 L N -0.452 120.768 121.223 -0.006 0.000 2.376 25 L HA -0.116 4.224 4.340 0.000 0.000 0.219 25 L C 2.616 179.633 176.870 0.246 0.000 1.133 25 L CA 0.996 55.838 54.840 0.003 0.000 0.816 25 L CB -0.452 41.405 42.059 -0.337 0.000 0.933 25 L HN 0.430 nan 8.230 nan 0.000 0.449 26 S N -0.317 115.510 115.700 0.212 0.000 2.515 26 S HA -0.109 4.361 4.470 0.000 0.000 0.231 26 S C 1.825 176.537 174.600 0.186 0.000 0.987 26 S CA 0.269 58.608 58.200 0.231 0.000 0.936 26 S CB -0.226 63.068 63.200 0.157 0.000 0.766 26 S HN 0.441 nan 8.310 nan 0.000 0.528 27 R N 0.305 120.898 120.500 0.156 0.000 2.307 27 R HA 0.154 4.494 4.340 0.000 0.000 0.199 27 R C 0.629 177.013 176.300 0.139 0.000 1.000 27 R CA 0.222 56.391 56.100 0.115 0.000 1.023 27 R CB -0.279 30.063 30.300 0.070 0.000 0.908 27 R HN 0.521 nan 8.270 nan 0.000 0.473 28 H N 2.970 122.130 119.070 0.150 0.000 2.848 28 H HA 0.045 4.601 4.556 0.000 0.000 0.317 28 H C -1.446 173.948 175.328 0.111 0.000 1.046 28 H CA -1.477 54.668 56.048 0.162 0.000 1.470 28 H CB 1.509 31.452 29.762 0.301 0.000 1.483 28 H HN -0.034 nan 8.280 nan 0.000 0.548 29 P HA 0.071 nan 4.420 nan 0.000 0.240 29 P C 0.655 178.024 177.300 0.116 0.000 1.190 29 P CA 0.701 63.819 63.100 0.030 0.000 0.781 29 P CB 0.647 32.312 31.700 -0.059 0.000 0.931 30 G N -0.917 108.061 108.800 0.297 0.000 4.552 30 G HA2 0.554 4.515 3.960 0.000 0.000 0.281 30 G HA3 0.554 4.515 3.960 0.000 0.000 0.281 30 G C -0.333 174.650 174.900 0.140 0.000 1.037 30 G CA 0.258 45.481 45.100 0.204 0.000 0.806 30 G HN 0.451 nan 8.290 nan 0.000 0.495 31 A N 0.297 123.166 122.820 0.082 0.000 2.540 31 A HA 0.742 5.062 4.320 0.000 0.000 0.297 31 A C -1.247 176.082 177.584 -0.426 0.000 1.056 31 A CA -0.645 51.190 52.037 -0.337 0.000 0.700 31 A CB 1.823 20.386 19.000 -0.728 0.000 1.280 31 A HN 0.021 nan 8.150 nan 0.000 0.398 32 E N 0.978 120.832 120.200 -0.575 0.000 2.195 32 E HA 0.728 5.078 4.350 0.000 0.000 0.271 32 E C -1.453 174.720 176.600 -0.712 0.000 0.923 32 E CA -0.122 56.027 56.400 -0.419 0.000 0.790 32 E CB 1.802 31.388 29.700 -0.190 0.000 1.155 32 E HN 0.445 nan 8.360 nan 0.000 0.402 33 F N 0.183 120.096 119.950 -0.062 0.000 2.593 33 F HA 0.452 4.979 4.527 0.000 0.000 0.320 33 F C 0.483 176.143 175.800 -0.233 0.000 1.060 33 F CA -0.773 57.104 58.000 -0.205 0.000 0.940 33 F CB 1.923 40.745 39.000 -0.298 0.000 1.268 33 F HN 0.329 nan 8.300 nan 0.000 0.475 34 S N 0.335 115.904 115.700 -0.218 0.000 2.595 34 S HA 0.845 5.315 4.470 0.000 0.000 0.281 34 S C -1.509 172.678 174.600 -0.689 0.000 1.117 34 S CA -0.743 57.305 58.200 -0.252 0.000 0.873 34 S CB 1.735 64.936 63.200 0.002 0.000 1.108 34 S HN 0.359 nan 8.310 nan 0.000 0.477 35 F N 0.964 120.677 119.950 -0.395 0.000 2.540 35 F HA 0.542 5.069 4.527 0.000 0.000 0.317 35 F C 0.246 175.644 175.800 -0.671 0.000 1.104 35 F CA -0.478 57.311 58.000 -0.352 0.000 0.913 35 F CB 2.064 40.971 39.000 -0.156 0.000 1.170 35 F HN 0.612 nan 8.300 nan 0.000 0.450 36 H N 1.299 120.463 119.070 0.157 0.000 2.934 36 H HA 0.416 4.972 4.556 0.000 0.000 0.340 36 H C -1.171 174.203 175.328 0.078 0.000 1.008 36 H CA -0.684 55.418 56.048 0.090 0.000 1.317 36 H CB 2.065 31.853 29.762 0.044 0.000 1.670 36 H HN 0.460 nan 8.280 nan 0.000 0.516 37 S N 1.530 117.312 115.700 0.137 0.000 2.593 37 S HA 0.453 4.923 4.470 0.000 0.000 0.297 37 S C 0.302 174.940 174.600 0.064 0.000 1.112 37 S CA -0.574 57.676 58.200 0.083 0.000 1.043 37 S CB 2.484 65.710 63.200 0.044 0.000 1.054 37 S HN 0.662 nan 8.310 nan 0.000 0.516 38 T N 1.702 116.279 114.554 0.038 0.000 2.893 38 T HA 0.562 4.912 4.350 0.000 0.000 0.291 38 T C -1.155 173.543 174.700 -0.003 0.000 1.028 38 T CA -0.815 61.299 62.100 0.022 0.000 0.995 38 T CB 0.695 69.579 68.868 0.026 0.000 1.051 38 T HN 0.539 nan 8.240 nan 0.000 0.470 39 R N 3.390 123.887 120.500 -0.004 0.000 2.514 39 R HA 0.628 4.968 4.340 0.000 0.000 0.301 39 R C -0.402 175.888 176.300 -0.017 0.000 0.962 39 R CA -0.757 55.333 56.100 -0.017 0.000 0.882 39 R CB 1.872 32.168 30.300 -0.006 0.000 1.143 39 R HN 0.646 nan 8.270 nan 0.000 0.452 40 M N 1.383 120.963 119.600 -0.034 0.000 2.227 40 M HA 0.516 4.996 4.480 0.000 0.000 0.335 40 M C -0.225 176.068 176.300 -0.012 0.000 1.053 40 M CA -0.885 54.402 55.300 -0.021 0.000 0.973 40 M CB 1.968 34.544 32.600 -0.038 0.000 1.623 40 M HN 0.102 nan 8.290 nan 0.000 0.434 41 R N 3.848 124.353 120.500 0.008 0.000 2.449 41 R HA 0.454 4.795 4.340 0.000 0.000 0.296 41 R C -0.727 175.587 176.300 0.023 0.000 1.047 41 R CA 0.317 56.434 56.100 0.028 0.000 1.018 41 R CB 0.818 31.144 30.300 0.043 0.000 0.962 41 R HN 0.840 nan 8.270 nan 0.000 0.428 42 M N 3.513 123.137 119.600 0.039 0.000 2.389 42 M HA 0.088 4.569 4.480 0.000 0.000 0.291 42 M C -0.720 175.616 176.300 0.061 0.000 1.128 42 M CA -0.304 54.995 55.300 -0.001 0.000 0.942 42 M CB 1.662 34.244 32.600 -0.030 0.000 1.783 42 M HN 0.875 nan 8.290 nan 0.000 0.501 43 H N 0.880 119.949 119.070 -0.000 0.000 3.535 43 H HA 0.355 4.911 4.556 0.000 0.000 0.260 43 H C -0.890 174.443 175.328 0.008 0.000 1.173 43 H CA -0.183 55.866 56.048 0.002 0.000 1.168 43 H CB 0.659 30.422 29.762 0.001 0.000 1.568 43 H HN 0.512 nan 8.280 nan 0.000 0.602 44 T N 2.854 117.189 114.554 -0.365 0.000 2.809 44 T HA 0.317 4.667 4.350 0.000 0.000 0.296 44 T C -0.056 174.577 174.700 -0.113 0.000 1.015 44 T CA -0.468 61.508 62.100 -0.205 0.000 0.954 44 T CB 2.446 71.153 68.868 -0.267 0.000 0.950 44 T HN 0.039 nan 8.240 nan 0.000 0.450 45 V N 4.692 124.584 119.914 -0.037 0.000 2.229 45 V HA 0.349 4.469 4.120 0.000 0.000 0.245 45 V C 0.598 176.675 176.094 -0.029 0.000 1.243 45 V CA -0.303 61.986 62.300 -0.017 0.000 1.176 45 V CB -1.299 30.557 31.823 0.055 0.000 1.323 45 V HN 1.012 nan 8.190 nan 0.000 0.499 46 S N 3.644 119.312 115.700 -0.054 0.000 2.661 46 S HA 0.669 5.139 4.470 0.000 0.000 0.285 46 S C -2.293 172.273 174.600 -0.056 0.000 1.138 46 S CA -1.571 56.600 58.200 -0.048 0.000 0.855 46 S CB 2.375 65.548 63.200 -0.044 0.000 1.136 46 S HN 0.207 nan 8.310 nan 0.000 0.484 47 P HA -0.086 nan 4.420 nan 0.000 0.216 47 P C 1.308 178.585 177.300 -0.038 0.000 1.153 47 P CA 1.288 64.361 63.100 -0.044 0.000 0.858 47 P CB 0.111 31.791 31.700 -0.033 0.000 0.789 48 E N -0.416 119.763 120.200 -0.035 0.000 2.107 48 E HA -0.077 4.273 4.350 0.000 0.000 0.191 48 E C 2.187 178.761 176.600 -0.044 0.000 0.982 48 E CA 1.655 58.035 56.400 -0.033 0.000 0.809 48 E CB -1.383 28.301 29.700 -0.027 0.000 0.756 48 E HN 0.115 nan 8.360 nan 0.000 0.459 49 G N 0.591 109.352 108.800 -0.064 0.000 2.446 49 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 49 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 49 G C 1.361 176.225 174.900 -0.060 0.000 1.168 49 G CA 0.932 45.979 45.100 -0.088 0.000 0.771 49 G HN 0.257 nan 8.290 nan 0.000 0.551 50 L N 1.344 122.536 121.223 -0.052 0.000 2.046 50 L HA 0.084 4.425 4.340 0.000 0.000 0.208 50 L C 3.254 180.116 176.870 -0.013 0.000 1.077 50 L CA 1.589 56.408 54.840 -0.036 0.000 0.747 50 L CB -1.178 40.850 42.059 -0.052 0.000 0.896 50 L HN 0.310 nan 8.230 nan 0.000 0.432 51 A N -0.862 121.948 122.820 -0.017 0.000 1.898 51 A HA -0.074 4.246 4.320 0.000 0.000 0.216 51 A C 2.494 180.080 177.584 0.003 0.000 1.181 51 A CA 1.569 53.604 52.037 -0.004 0.000 0.620 51 A CB -0.792 18.202 19.000 -0.009 0.000 0.819 51 A HN 0.373 nan 8.150 nan 0.000 0.442 52 A N -0.565 122.252 122.820 -0.006 0.000 1.908 52 A HA -0.167 4.153 4.320 0.000 0.000 0.218 52 A C 2.286 179.875 177.584 0.008 0.000 1.181 52 A CA 1.941 53.977 52.037 -0.001 0.000 0.627 52 A CB -0.542 18.452 19.000 -0.010 0.000 0.818 52 A HN 0.603 nan 8.150 nan 0.000 0.445 53 M N -0.417 119.185 119.600 0.004 0.000 2.067 53 M HA -0.176 4.304 4.480 0.000 0.000 0.260 53 M C 1.699 178.026 176.300 0.044 0.000 1.069 53 M CA 1.974 57.281 55.300 0.011 0.000 1.117 53 M CB -0.404 32.192 32.600 -0.007 0.000 1.334 53 M HN 0.393 nan 8.290 nan 0.000 0.407 54 N N 1.044 119.785 118.700 0.067 0.000 2.205 54 N HA -0.120 4.620 4.740 0.000 0.000 0.186 54 N C 1.566 177.129 175.510 0.088 0.000 1.015 54 N CA 1.649 54.771 53.050 0.120 0.000 0.862 54 N CB -0.534 38.006 38.487 0.089 0.000 0.986 54 N HN 0.486 nan 8.380 nan 0.000 0.429 55 A N 0.464 123.314 122.820 0.051 0.000 2.178 55 A HA -0.103 4.217 4.320 0.000 0.000 0.218 55 A C 1.827 179.437 177.584 0.044 0.000 1.157 55 A CA 0.934 52.994 52.037 0.039 0.000 0.689 55 A CB -0.294 18.721 19.000 0.024 0.000 0.787 55 A HN 0.343 nan 8.150 nan 0.000 0.465 56 Q N -1.086 118.746 119.800 0.052 0.000 2.320 56 Q HA 0.096 4.436 4.340 0.000 0.000 0.201 56 Q C 1.922 177.964 176.000 0.069 0.000 0.910 56 Q CA -0.184 55.647 55.803 0.048 0.000 0.946 56 Q CB 0.105 28.862 28.738 0.033 0.000 1.062 56 Q HN 0.665 nan 8.270 nan 0.000 0.503 57 R N 1.516 122.079 120.500 0.106 0.000 2.083 57 R HA -0.187 4.153 4.340 0.000 0.000 0.237 57 R C 1.734 178.097 176.300 0.105 0.000 1.137 57 R CA 1.873 58.069 56.100 0.160 0.000 0.951 57 R CB 0.100 30.518 30.300 0.197 0.000 0.851 57 R HN 0.279 nan 8.270 nan 0.000 0.434 58 E N 1.052 121.294 120.200 0.069 0.000 2.077 58 E HA -0.247 4.103 4.350 0.000 0.000 0.193 58 E C 1.967 178.593 176.600 0.043 0.000 0.989 58 E CA 1.159 57.589 56.400 0.049 0.000 0.800 58 E CB -0.779 28.941 29.700 0.034 0.000 0.746 58 E HN 0.353 nan 8.360 nan 0.000 0.452 59 R N 0.529 121.053 120.500 0.040 0.000 2.083 59 R HA -0.106 4.234 4.340 0.000 0.000 0.237 59 R C 2.311 178.632 176.300 0.036 0.000 1.137 59 R CA 1.999 58.119 56.100 0.033 0.000 0.951 59 R CB -0.541 29.776 30.300 0.028 0.000 0.851 59 R HN 0.290 nan 8.270 nan 0.000 0.434 60 C N -0.102 119.225 119.300 0.044 0.000 2.440 60 C HA -0.026 4.434 4.460 0.000 0.000 0.278 60 C C 2.711 177.731 174.990 0.050 0.000 1.295 60 C CA 0.393 59.436 59.018 0.042 0.000 1.738 60 C CB -0.615 27.147 27.740 0.036 0.000 1.987 60 C HN 0.367 nan 8.230 nan 0.000 0.492 61 V N 1.013 120.966 119.914 0.064 0.000 2.295 61 V HA -0.239 3.882 4.120 0.000 0.000 0.246 61 V C 2.351 178.469 176.094 0.041 0.000 1.049 61 V CA 1.916 64.253 62.300 0.061 0.000 1.024 61 V CB -0.657 31.205 31.823 0.066 0.000 0.648 61 V HN 0.538 nan 8.190 nan 0.000 0.447 62 L N -0.372 120.871 121.223 0.034 0.000 2.042 62 L HA -0.224 4.116 4.340 0.000 0.000 0.210 62 L C 2.574 179.457 176.870 0.020 0.000 1.076 62 L CA 1.799 56.653 54.840 0.024 0.000 0.749 62 L CB -0.554 41.517 42.059 0.021 0.000 0.893 62 L HN 0.395 nan 8.230 nan 0.000 0.432 63 E N -0.372 119.843 120.200 0.024 0.000 2.047 63 E HA -0.235 4.115 4.350 0.000 0.000 0.191 63 E C 2.102 178.714 176.600 0.021 0.000 0.987 63 E CA 1.121 57.534 56.400 0.022 0.000 0.799 63 E CB -0.074 29.641 29.700 0.025 0.000 0.752 63 E HN 0.303 nan 8.360 nan 0.000 0.449 64 I N 0.964 121.551 120.570 0.029 0.000 2.439 64 I HA -0.113 4.057 4.170 0.000 0.000 0.251 64 I C 2.074 178.198 176.117 0.013 0.000 1.139 64 I CA 0.778 62.096 61.300 0.030 0.000 1.438 64 I CB -0.267 37.762 38.000 0.048 0.000 1.085 64 I HN -0.005 nan 8.210 nan 0.000 0.427 65 A N -0.044 122.785 122.820 0.015 0.000 1.940 65 A HA -0.249 4.072 4.320 0.000 0.000 0.219 65 A C 1.932 179.511 177.584 -0.010 0.000 1.176 65 A CA 2.102 54.142 52.037 0.005 0.000 0.631 65 A CB -0.880 18.126 19.000 0.011 0.000 0.814 65 A HN 0.456 nan 8.150 nan 0.000 0.446 66 D N -0.005 120.390 120.400 -0.008 0.000 2.265 66 D HA -0.042 4.598 4.640 0.000 0.000 0.208 66 D C 1.795 178.073 176.300 -0.038 0.000 0.977 66 D CA 1.321 55.311 54.000 -0.017 0.000 0.871 66 D CB -0.241 40.553 40.800 -0.009 0.000 0.925 66 D HN 0.489 nan 8.370 nan 0.000 0.485 67 A N 0.146 122.933 122.820 -0.055 0.000 2.251 67 A HA 0.443 4.764 4.320 0.000 0.000 0.209 67 A C 1.240 178.743 177.584 -0.135 0.000 1.187 67 A CA 0.758 52.724 52.037 -0.118 0.000 0.823 67 A CB -0.200 18.702 19.000 -0.164 0.000 0.846 67 A HN 0.170 nan 8.150 nan 0.000 0.486 68 A N 0.197 122.970 122.820 -0.078 0.000 2.415 68 A HA -0.098 4.222 4.320 0.000 0.000 0.292 68 A C -1.494 176.046 177.584 -0.074 0.000 1.452 68 A CA 0.566 52.565 52.037 -0.063 0.000 0.750 68 A CB -1.880 17.086 19.000 -0.056 0.000 1.099 68 A HN 0.529 nan 8.150 nan 0.000 0.391 69 P HA 0.219 nan 4.420 nan 0.000 0.274 69 P C 0.756 178.048 177.300 -0.014 0.000 1.237 69 P CA -0.174 62.903 63.100 -0.039 0.000 0.793 69 P CB 0.678 32.379 31.700 0.002 0.000 0.977 70 E N -0.166 120.031 120.200 -0.006 0.000 2.112 70 E HA 0.016 4.366 4.350 0.000 0.000 0.190 70 E C 0.185 176.794 176.600 0.016 0.000 0.979 70 E CA 0.961 57.362 56.400 0.001 0.000 0.814 70 E CB 0.125 29.825 29.700 -0.000 0.000 0.762 70 E HN 0.283 nan 8.360 nan 0.000 0.460 71 V N 0.956 120.886 119.914 0.027 0.000 2.876 71 V HA 0.420 4.541 4.120 0.000 0.000 0.312 71 V C -0.475 175.650 176.094 0.052 0.000 1.085 71 V CA -0.839 61.484 62.300 0.039 0.000 0.945 71 V CB 2.204 34.051 31.823 0.041 0.000 1.017 71 V HN 0.007 nan 8.190 nan 0.000 0.428 72 I N 3.591 124.199 120.570 0.063 0.000 2.406 72 I HA 0.454 4.624 4.170 0.000 0.000 0.290 72 I C -0.959 175.215 176.117 0.095 0.000 0.999 72 I CA -0.600 60.748 61.300 0.079 0.000 1.124 72 I CB 1.901 39.949 38.000 0.081 0.000 1.289 72 I HN 0.465 nan 8.210 nan 0.000 0.441 73 L N 7.662 128.943 121.223 0.096 0.000 2.265 73 L HA 0.349 4.689 4.340 0.000 0.000 0.289 73 L C -0.987 175.949 176.870 0.111 0.000 1.033 73 L CA -0.236 54.665 54.840 0.102 0.000 0.814 73 L CB 0.592 42.699 42.059 0.079 0.000 1.203 73 L HN 0.432 nan 8.230 nan 0.000 0.423 74 Y N 4.908 125.225 120.300 0.027 0.000 2.585 74 Y HA 0.357 4.907 4.550 0.000 0.000 0.354 74 Y C 1.127 177.032 175.900 0.007 0.000 1.024 74 Y CA 0.399 58.510 58.100 0.018 0.000 1.321 74 Y CB 1.145 39.616 38.460 0.017 0.000 1.151 74 Y HN 0.839 nan 8.280 nan 0.000 0.525 75 A N 4.038 126.768 122.820 -0.150 0.000 1.970 75 A HA -0.078 4.242 4.320 0.000 0.000 0.216 75 A C 0.947 178.502 177.584 -0.049 0.000 1.170 75 A CA 0.460 52.455 52.037 -0.071 0.000 0.645 75 A CB -0.494 18.457 19.000 -0.082 0.000 0.816 75 A HN 0.675 nan 8.150 nan 0.000 0.447 76 C N 0.666 119.910 119.300 -0.094 0.000 2.464 76 C HA 0.481 4.941 4.460 0.000 0.000 0.370 76 C C 1.867 176.878 174.990 0.035 0.000 1.267 76 C CA -0.511 58.493 59.018 -0.023 0.000 1.781 76 C CB -1.302 26.410 27.740 -0.045 0.000 2.431 76 C HN 0.649 nan 8.230 nan 0.000 0.556 77 L N 5.876 127.109 121.223 0.017 0.000 2.005 77 L HA -0.025 4.315 4.340 0.000 0.000 0.207 77 L C 2.284 179.091 176.870 -0.106 0.000 1.072 77 L CA 1.882 56.706 54.840 -0.027 0.000 0.744 77 L CB -0.329 41.726 42.059 -0.006 0.000 0.895 77 L HN 0.651 nan 8.230 nan 0.000 0.433 78 V N 0.030 119.861 119.914 -0.139 0.000 2.626 78 V HA -0.213 3.908 4.120 0.000 0.000 0.252 78 V C 2.643 178.609 176.094 -0.213 0.000 1.067 78 V CA 1.547 63.656 62.300 -0.319 0.000 1.081 78 V CB -0.257 31.115 31.823 -0.752 0.000 0.686 78 V HN 0.605 nan 8.190 nan 0.000 0.468 79 A N -0.631 122.129 122.820 -0.100 0.000 1.940 79 A HA -0.158 4.162 4.320 0.000 0.000 0.219 79 A C 2.271 179.846 177.584 -0.015 0.000 1.176 79 A CA 2.360 54.386 52.037 -0.019 0.000 0.631 79 A CB -0.510 18.542 19.000 0.087 0.000 0.814 79 A HN 0.452 nan 8.150 nan 0.000 0.446 80 V N -0.683 119.204 119.914 -0.045 0.000 2.426 80 V HA -0.146 3.974 4.120 0.000 0.000 0.242 80 V C 2.499 178.466 176.094 -0.212 0.000 1.036 80 V CA 1.651 63.889 62.300 -0.103 0.000 1.044 80 V CB -0.588 31.174 31.823 -0.102 0.000 0.688 80 V HN 0.524 nan 8.190 nan 0.000 0.462 81 M N -0.438 118.939 119.600 -0.372 0.000 2.374 81 M HA -0.089 4.391 4.480 0.000 0.000 0.264 81 M C 2.248 178.447 176.300 -0.168 0.000 1.067 81 M CA 1.108 56.073 55.300 -0.559 0.000 1.103 81 M CB -0.349 31.884 32.600 -0.612 0.000 1.402 81 M HN 0.309 nan 8.290 nan 0.000 0.444 82 V N 0.477 120.307 119.914 -0.141 0.000 2.720 82 V HA -0.132 3.989 4.120 0.000 0.000 0.256 82 V C 2.063 178.154 176.094 -0.006 0.000 1.082 82 V CA 2.012 64.265 62.300 -0.078 0.000 1.101 82 V CB -0.709 31.052 31.823 -0.103 0.000 0.693 82 V HN 0.567 nan 8.190 nan 0.000 0.479 83 G N -1.010 107.801 108.800 0.019 0.000 2.744 83 G HA2 0.375 4.335 3.960 0.000 0.000 0.211 83 G HA3 0.375 4.335 3.960 0.000 0.000 0.211 83 G C 0.893 175.860 174.900 0.112 0.000 1.143 83 G CA 0.666 45.799 45.100 0.055 0.000 0.788 83 G HN 1.237 nan 8.290 nan 0.000 0.534 84 G N -0.136 108.785 108.800 0.201 0.000 2.796 84 G HA2 -0.122 3.838 3.960 0.000 0.000 0.226 84 G HA3 -0.122 3.838 3.960 0.000 0.000 0.226 84 G C -2.643 172.318 174.900 0.102 0.000 1.381 84 G CA -0.567 44.632 45.100 0.164 0.000 0.867 84 G HN 0.241 nan 8.290 nan 0.000 0.552 85 P HA 0.325 nan 4.420 nan 0.000 0.256 85 P C 0.989 178.214 177.300 -0.126 0.000 1.173 85 P CA 2.257 65.222 63.100 -0.224 0.000 0.768 85 P CB 0.200 31.815 31.700 -0.142 0.000 0.758 86 G N 3.238 111.929 108.800 -0.181 0.000 2.143 86 G HA2 -0.309 3.651 3.960 0.000 0.000 0.249 86 G HA3 -0.309 3.651 3.960 0.000 0.000 0.249 86 G C 1.112 176.055 174.900 0.072 0.000 0.981 86 G CA 0.439 45.549 45.100 0.016 0.000 0.665 86 G HN 0.490 nan 8.290 nan 0.000 0.528 87 E N 0.953 121.295 120.200 0.237 0.000 2.130 87 E HA -0.186 4.164 4.350 0.000 0.000 0.196 87 E C 2.238 178.880 176.600 0.070 0.000 0.998 87 E CA 2.092 58.591 56.400 0.165 0.000 0.806 87 E CB -0.385 29.432 29.700 0.196 0.000 0.738 87 E HN 0.847 nan 8.360 nan 0.000 0.459 88 H N -1.268 117.860 119.070 0.096 0.000 2.421 88 H HA -0.134 4.422 4.556 0.000 0.000 0.298 88 H C 1.542 176.821 175.328 -0.081 0.000 1.087 88 H CA 1.654 57.667 56.048 -0.058 0.000 1.330 88 H CB -0.524 29.187 29.762 -0.086 0.000 1.388 88 H HN 0.342 nan 8.280 nan 0.000 0.526 89 H N 1.527 120.305 119.070 -0.486 0.000 2.293 89 H HA -0.009 4.548 4.556 0.000 0.000 0.300 89 H C 2.553 177.802 175.328 -0.131 0.000 1.082 89 H CA 1.350 57.225 56.048 -0.288 0.000 1.308 89 H CB -0.029 29.554 29.762 -0.299 0.000 1.375 89 H HN 0.376 nan 8.280 nan 0.000 0.495 90 R N 0.133 120.642 120.500 0.014 0.000 2.081 90 R HA -0.085 4.256 4.340 0.000 0.000 0.235 90 R C 2.582 178.854 176.300 -0.046 0.000 1.131 90 R CA 1.180 57.273 56.100 -0.012 0.000 0.960 90 R CB -0.280 30.012 30.300 -0.014 0.000 0.856 90 R HN 0.055 nan 8.270 nan 0.000 0.436 91 V N 1.235 121.098 119.914 -0.085 0.000 2.295 91 V HA -0.235 3.885 4.120 0.000 0.000 0.246 91 V C 1.989 178.001 176.094 -0.137 0.000 1.049 91 V CA 1.878 64.072 62.300 -0.177 0.000 1.024 91 V CB -0.414 31.213 31.823 -0.326 0.000 0.648 91 V HN 0.354 nan 8.190 nan 0.000 0.447 92 E N -0.120 120.039 120.200 -0.070 0.000 2.077 92 E HA -0.208 4.143 4.350 0.000 0.000 0.193 92 E C 2.409 179.012 176.600 0.006 0.000 0.989 92 E CA 1.510 57.905 56.400 -0.010 0.000 0.800 92 E CB -0.276 29.453 29.700 0.049 0.000 0.746 92 E HN 0.517 nan 8.360 nan 0.000 0.452 93 S N 0.291 115.995 115.700 0.008 0.000 2.368 93 S HA -0.149 4.321 4.470 0.000 0.000 0.225 93 S C 2.075 176.673 174.600 -0.004 0.000 1.030 93 S CA 1.133 59.338 58.200 0.008 0.000 0.999 93 S CB -0.128 63.077 63.200 0.007 0.000 0.844 93 S HN 0.327 nan 8.310 nan 0.000 0.459 94 A N 0.726 123.534 122.820 -0.020 0.000 1.898 94 A HA 0.034 4.354 4.320 0.000 0.000 0.216 94 A C 2.326 179.905 177.584 -0.009 0.000 1.181 94 A CA 1.653 53.679 52.037 -0.019 0.000 0.620 94 A CB -0.951 18.029 19.000 -0.034 0.000 0.819 94 A HN 0.453 nan 8.150 nan 0.000 0.442 95 V N -0.083 119.823 119.914 -0.013 0.000 2.295 95 V HA -0.244 3.876 4.120 0.000 0.000 0.246 95 V C 3.073 179.180 176.094 0.021 0.000 1.049 95 V CA 1.925 64.233 62.300 0.013 0.000 1.024 95 V CB -1.280 30.559 31.823 0.027 0.000 0.648 95 V HN 0.607 nan 8.190 nan 0.000 0.447 96 A N -0.283 122.549 122.820 0.019 0.000 1.908 96 A HA -0.275 4.045 4.320 0.000 0.000 0.218 96 A C 2.156 179.749 177.584 0.015 0.000 1.181 96 A CA 2.090 54.139 52.037 0.021 0.000 0.627 96 A CB -0.508 18.506 19.000 0.023 0.000 0.818 96 A HN 0.652 nan 8.150 nan 0.000 0.445 97 E N -0.861 119.345 120.200 0.010 0.000 2.031 97 E HA -0.275 4.075 4.350 0.000 0.000 0.193 97 E C 2.300 178.905 176.600 0.009 0.000 0.994 97 E CA 1.404 57.808 56.400 0.007 0.000 0.800 97 E CB -0.233 29.468 29.700 0.003 0.000 0.752 97 E HN 0.806 nan 8.360 nan 0.000 0.447 98 Q N 0.842 120.649 119.800 0.011 0.000 2.061 98 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 98 Q C 2.279 178.288 176.000 0.015 0.000 0.984 98 Q CA 1.265 57.076 55.803 0.014 0.000 0.846 98 Q CB -0.077 28.672 28.738 0.019 0.000 0.902 98 Q HN 0.273 nan 8.270 nan 0.000 0.421 99 L N 0.079 121.312 121.223 0.018 0.000 1.994 99 L HA -0.198 4.142 4.340 0.000 0.000 0.208 99 L C 2.611 179.488 176.870 0.012 0.000 1.071 99 L CA 1.198 56.048 54.840 0.017 0.000 0.745 99 L CB -0.666 41.406 42.059 0.021 0.000 0.892 99 L HN 0.316 nan 8.230 nan 0.000 0.431 100 A N -0.046 122.780 122.820 0.011 0.000 1.978 100 A HA -0.238 4.082 4.320 0.000 0.000 0.220 100 A C 2.412 180.000 177.584 0.006 0.000 1.170 100 A CA 2.273 54.315 52.037 0.008 0.000 0.636 100 A CB -1.013 17.991 19.000 0.007 0.000 0.810 100 A HN 0.575 nan 8.150 nan 0.000 0.448 101 T N -3.252 111.306 114.554 0.006 0.000 2.867 101 T HA 0.073 4.423 4.350 0.000 0.000 0.268 101 T C 1.632 176.335 174.700 0.005 0.000 1.057 101 T CA 1.471 63.574 62.100 0.005 0.000 1.136 101 T CB -0.503 68.369 68.868 0.005 0.000 0.874 101 T HN 0.407 nan 8.240 nan 0.000 0.466 102 G N -0.012 108.792 108.800 0.006 0.000 2.985 102 G HA2 0.432 4.392 3.960 0.000 0.000 0.209 102 G HA3 0.432 4.392 3.960 0.000 0.000 0.209 102 G C 1.185 176.086 174.900 0.003 0.000 1.165 102 G CA -0.030 45.073 45.100 0.005 0.000 0.776 102 G HN 1.214 nan 8.290 nan 0.000 0.541 103 G N -0.588 108.214 108.800 0.003 0.000 2.143 103 G HA2 -0.225 3.735 3.960 0.000 0.000 0.249 103 G HA3 -0.225 3.735 3.960 0.000 0.000 0.249 103 G C 0.449 175.349 174.900 0.000 0.000 0.981 103 G CA 0.567 45.667 45.100 0.001 0.000 0.665 103 G HN 1.091 nan 8.290 nan 0.000 0.528 104 S N -0.853 114.848 115.700 0.002 0.000 2.585 104 S HA 0.640 5.110 4.470 0.000 0.000 0.277 104 S C 0.652 175.255 174.600 0.005 0.000 1.241 104 S CA 0.005 58.207 58.200 0.002 0.000 1.041 104 S CB 1.363 64.565 63.200 0.004 0.000 0.987 104 S HN 0.290 nan 8.310 nan 0.000 0.512 105 Q N 2.313 122.115 119.800 0.004 0.000 2.155 105 Q HA 0.457 4.797 4.340 0.000 0.000 0.273 105 Q C -0.011 175.994 176.000 0.009 0.000 0.857 105 Q CA -0.222 55.585 55.803 0.007 0.000 1.116 105 Q CB 0.949 29.689 28.738 0.004 0.000 1.209 105 Q HN 0.763 nan 8.270 nan 0.000 0.460 106 A N 0.648 123.474 122.820 0.010 0.000 2.520 106 A HA 0.228 4.548 4.320 0.000 0.000 0.245 106 A C -0.327 177.272 177.584 0.024 0.000 1.072 106 A CA -0.252 51.794 52.037 0.015 0.000 0.761 106 A CB 0.116 19.127 19.000 0.018 0.000 1.004 106 A HN 0.296 nan 8.150 nan 0.000 0.499 107 L N 2.380 123.619 121.223 0.026 0.000 2.452 107 L HA 0.316 4.656 4.340 0.000 0.000 0.267 107 L C 0.277 177.174 176.870 0.045 0.000 1.188 107 L CA 0.439 55.299 54.840 0.034 0.000 0.821 107 L CB 1.086 43.164 42.059 0.031 0.000 1.102 107 L HN 0.429 nan 8.230 nan 0.000 0.470 108 V N 4.077 124.023 119.914 0.053 0.000 2.487 108 V HA 0.653 4.773 4.120 0.000 0.000 0.298 108 V C 0.026 176.165 176.094 0.075 0.000 1.028 108 V CA -0.905 61.435 62.300 0.067 0.000 0.860 108 V CB 1.668 33.528 31.823 0.062 0.000 0.991 108 V HN 0.635 nan 8.190 nan 0.000 0.427 109 R N 2.258 122.809 120.500 0.086 0.000 2.888 109 R HA 0.815 5.155 4.340 0.000 0.000 0.266 109 R C -0.495 175.870 176.300 0.109 0.000 1.020 109 R CA -0.630 55.522 56.100 0.088 0.000 0.963 109 R CB 2.306 32.650 30.300 0.073 0.000 1.197 109 R HN 0.854 nan 8.270 nan 0.000 0.481 110 S N -1.427 114.329 115.700 0.094 0.000 2.599 110 S HA 0.334 4.804 4.470 0.000 0.000 0.287 110 S C 0.538 175.169 174.600 0.052 0.000 1.105 110 S CA -0.696 57.572 58.200 0.113 0.000 0.899 110 S CB 1.993 65.258 63.200 0.109 0.000 1.100 110 S HN 0.393 nan 8.310 nan 0.000 0.482 111 S N 1.073 116.806 115.700 0.056 0.000 2.368 111 S HA -0.068 4.402 4.470 0.000 0.000 0.225 111 S C 2.204 176.776 174.600 -0.048 0.000 1.030 111 S CA 1.368 59.573 58.200 0.009 0.000 0.999 111 S CB -0.926 62.282 63.200 0.013 0.000 0.844 111 S HN 0.934 nan 8.310 nan 0.000 0.459 112 A N 1.619 124.393 122.820 -0.077 0.000 1.858 112 A HA 0.032 4.352 4.320 0.000 0.000 0.216 112 A C 2.374 179.781 177.584 -0.295 0.000 1.190 112 A CA 1.817 53.743 52.037 -0.184 0.000 0.617 112 A CB -1.514 17.345 19.000 -0.234 0.000 0.827 112 A HN 0.520 nan 8.150 nan 0.000 0.443 113 G N -0.726 107.850 108.800 -0.373 0.000 2.422 113 G HA2 0.022 3.983 3.960 0.000 0.000 0.218 113 G HA3 0.022 3.983 3.960 0.000 0.000 0.218 113 G C 1.716 176.491 174.900 -0.208 0.000 1.146 113 G CA 1.459 46.218 45.100 -0.569 0.000 0.769 113 G HN 0.825 nan 8.290 nan 0.000 0.547 114 A N 0.331 123.102 122.820 -0.083 0.000 1.933 114 A HA 0.076 4.396 4.320 0.000 0.000 0.218 114 A C 2.339 179.914 177.584 -0.016 0.000 1.175 114 A CA 1.586 53.625 52.037 0.004 0.000 0.628 114 A CB -0.400 18.621 19.000 0.034 0.000 0.814 114 A HN 0.396 nan 8.150 nan 0.000 0.444 115 L N -0.076 121.108 121.223 -0.065 0.000 2.017 115 L HA -0.121 4.219 4.340 0.000 0.000 0.208 115 L C 2.438 179.251 176.870 -0.095 0.000 1.073 115 L CA 1.835 56.620 54.840 -0.090 0.000 0.745 115 L CB -0.461 41.536 42.059 -0.105 0.000 0.894 115 L HN 0.172 nan 8.230 nan 0.000 0.432 116 V N -0.238 119.647 119.914 -0.049 0.000 2.287 116 V HA -0.357 3.763 4.120 0.000 0.000 0.248 116 V C 2.563 178.734 176.094 0.128 0.000 1.053 116 V CA 2.170 64.536 62.300 0.110 0.000 1.027 116 V CB -0.750 31.148 31.823 0.126 0.000 0.646 116 V HN 0.601 nan 8.190 nan 0.000 0.447 117 E N 0.175 120.415 120.200 0.067 0.000 2.085 117 E HA -0.214 4.136 4.350 0.000 0.000 0.194 117 E C 2.264 178.871 176.600 0.012 0.000 0.994 117 E CA 1.538 58.000 56.400 0.104 0.000 0.801 117 E CB -0.452 29.341 29.700 0.156 0.000 0.743 117 E HN 0.603 nan 8.360 nan 0.000 0.453 118 G N 0.869 109.612 108.800 -0.094 0.000 2.402 118 G HA2 -0.206 3.755 3.960 0.000 0.000 0.216 118 G HA3 -0.206 3.755 3.960 0.000 0.000 0.216 118 G C 1.578 176.349 174.900 -0.216 0.000 1.162 118 G CA 0.516 45.431 45.100 -0.308 0.000 0.777 118 G HN 0.188 nan 8.290 nan 0.000 0.539 119 L N -0.109 121.034 121.223 -0.133 0.000 2.083 119 L HA -0.031 4.309 4.340 0.000 0.000 0.209 119 L C 3.171 180.093 176.870 0.087 0.000 1.083 119 L CA 0.768 55.545 54.840 -0.106 0.000 0.752 119 L CB -0.290 41.524 42.059 -0.409 0.000 0.899 119 L HN 0.082 nan 8.230 nan 0.000 0.433 120 R N 0.060 120.660 120.500 0.167 0.000 2.092 120 R HA -0.067 4.273 4.340 0.000 0.000 0.231 120 R C 2.303 178.641 176.300 0.064 0.000 1.119 120 R CA 1.360 57.556 56.100 0.159 0.000 0.970 120 R CB -0.610 29.786 30.300 0.159 0.000 0.864 120 R HN 0.343 nan 8.270 nan 0.000 0.440 121 A N 0.799 123.610 122.820 -0.015 0.000 1.969 121 A HA -0.092 4.228 4.320 0.000 0.000 0.218 121 A C 1.806 179.355 177.584 -0.058 0.000 1.169 121 A CA 0.960 52.962 52.037 -0.059 0.000 0.635 121 A CB -0.163 18.669 19.000 -0.280 0.000 0.810 121 A HN 0.082 nan 8.150 nan 0.000 0.445 122 L N -0.494 120.687 121.223 -0.070 0.000 2.599 122 L HA 0.072 4.412 4.340 0.000 0.000 0.230 122 L C 0.574 177.451 176.870 0.011 0.000 1.141 122 L CA 1.082 55.900 54.840 -0.038 0.000 0.877 122 L CB -1.154 40.869 42.059 -0.059 0.000 1.009 122 L HN 0.581 nan 8.230 nan 0.000 0.447 123 D N -0.463 119.959 120.400 0.037 0.000 2.811 123 D HA -0.222 4.418 4.640 0.000 0.000 0.231 123 D C 0.419 176.765 176.300 0.077 0.000 1.157 123 D CA 0.810 54.845 54.000 0.058 0.000 0.716 123 D CB -0.466 40.358 40.800 0.041 0.000 1.077 123 D HN 0.359 nan 8.370 nan 0.000 0.428 124 A N -0.002 122.881 122.820 0.105 0.000 2.366 124 A HA 0.493 4.813 4.320 0.000 0.000 0.272 124 A C 1.033 178.757 177.584 0.233 0.000 1.135 124 A CA 0.182 52.289 52.037 0.116 0.000 0.804 124 A CB 1.311 20.339 19.000 0.047 0.000 1.064 124 A HN 0.268 nan 8.150 nan 0.000 0.499 125 Q N 1.847 121.751 119.800 0.174 0.000 2.481 125 Q HA 0.161 4.501 4.340 0.000 0.000 0.219 125 Q C 0.378 176.503 176.000 0.209 0.000 0.920 125 Q CA 1.122 57.045 55.803 0.201 0.000 0.915 125 Q CB 0.293 29.086 28.738 0.093 0.000 1.057 125 Q HN 0.732 nan 8.270 nan 0.000 0.581 126 R N 0.348 120.919 120.500 0.119 0.000 2.229 126 R HA 0.573 4.914 4.340 0.000 0.000 0.328 126 R C -1.303 175.027 176.300 0.051 0.000 1.009 126 R CA -0.393 55.759 56.100 0.087 0.000 0.864 126 R CB 1.722 32.055 30.300 0.054 0.000 1.085 126 R HN 0.003 nan 8.270 nan 0.000 0.453 127 V N 1.782 121.720 119.914 0.041 0.000 2.823 127 V HA 0.732 4.852 4.120 0.000 0.000 0.312 127 V C -0.409 175.682 176.094 -0.004 0.000 1.072 127 V CA -0.993 61.294 62.300 -0.022 0.000 0.937 127 V CB 1.978 33.733 31.823 -0.114 0.000 1.013 127 V HN 0.876 nan 8.190 nan 0.000 0.430 128 A N 4.342 127.144 122.820 -0.030 0.000 2.355 128 A HA 0.983 5.303 4.320 0.000 0.000 0.324 128 A C -1.169 176.409 177.584 -0.009 0.000 1.117 128 A CA -0.604 51.428 52.037 -0.009 0.000 0.785 128 A CB 1.270 20.234 19.000 -0.059 0.000 1.254 128 A HN 0.781 nan 8.150 nan 0.000 0.453 129 L N 1.638 122.894 121.223 0.056 0.000 2.386 129 L HA 0.643 4.983 4.340 0.000 0.000 0.271 129 L C -1.053 175.861 176.870 0.073 0.000 0.993 129 L CA -1.007 53.867 54.840 0.058 0.000 0.819 129 L CB 2.129 44.241 42.059 0.089 0.000 1.294 129 L HN 0.398 nan 8.230 nan 0.000 0.414 130 V N 0.993 120.916 119.914 0.016 0.000 2.409 130 V HA 0.648 4.768 4.120 0.000 0.000 0.291 130 V C 0.090 176.153 176.094 -0.052 0.000 1.020 130 V CA -0.386 61.915 62.300 0.003 0.000 0.848 130 V CB 1.824 33.634 31.823 -0.021 0.000 0.990 130 V HN 0.916 nan 8.190 nan 0.000 0.430 131 T N 2.332 116.845 114.554 -0.067 0.000 2.906 131 T HA 0.594 4.945 4.350 0.000 0.000 0.295 131 T C -2.418 172.104 174.700 -0.297 0.000 1.061 131 T CA -2.033 59.898 62.100 -0.283 0.000 1.000 131 T CB 2.815 71.513 68.868 -0.284 0.000 1.103 131 T HN 0.407 nan 8.240 nan 0.000 0.486 132 P HA 0.165 nan 4.420 nan 0.000 0.261 132 P C -0.287 176.922 177.300 -0.152 0.000 1.268 132 P CA -0.090 62.844 63.100 -0.276 0.000 0.833 132 P CB -0.142 31.407 31.700 -0.253 0.000 1.231 133 Y N 0.100 120.415 120.300 0.025 0.000 2.330 133 Y HA 0.173 4.723 4.550 0.000 0.000 0.341 133 Y C 1.799 177.722 175.900 0.037 0.000 1.278 133 Y CA -0.957 57.153 58.100 0.016 0.000 1.453 133 Y CB -0.406 38.049 38.460 -0.008 0.000 1.342 133 Y HN -0.187 nan 8.280 nan 0.000 0.590 134 M N 1.220 120.945 119.600 0.209 0.000 2.252 134 M HA 0.024 4.504 4.480 0.000 0.000 0.333 134 M C 1.369 177.761 176.300 0.154 0.000 1.111 134 M CA 0.469 55.852 55.300 0.138 0.000 1.140 134 M CB 0.073 32.725 32.600 0.086 0.000 1.538 134 M HN 0.734 nan 8.290 nan 0.000 0.448 135 R N 1.779 122.374 120.500 0.158 0.000 2.091 135 R HA -0.154 4.186 4.340 0.000 0.000 0.238 135 R C -0.687 175.680 176.300 0.112 0.000 1.136 135 R CA 1.558 57.783 56.100 0.209 0.000 0.959 135 R CB -1.400 29.053 30.300 0.255 0.000 0.856 135 R HN 0.564 nan 8.270 nan 0.000 0.437 136 P HA -0.145 nan 4.420 nan 0.000 0.216 136 P C 1.066 178.345 177.300 -0.035 0.000 1.150 136 P CA 1.252 64.363 63.100 0.018 0.000 0.837 136 P CB -0.014 31.696 31.700 0.017 0.000 0.786 137 L N -1.335 119.867 121.223 -0.036 0.000 2.156 137 L HA -0.058 4.282 4.340 0.000 0.000 0.208 137 L C 2.470 179.253 176.870 -0.146 0.000 1.095 137 L CA 1.256 56.023 54.840 -0.122 0.000 0.770 137 L CB -1.119 40.833 42.059 -0.178 0.000 0.914 137 L HN -0.055 nan 8.230 nan 0.000 0.439 138 A N 0.086 122.884 122.820 -0.036 0.000 1.930 138 A HA -0.207 4.113 4.320 0.000 0.000 0.217 138 A C 2.155 179.463 177.584 -0.460 0.000 1.175 138 A CA 1.492 53.465 52.037 -0.106 0.000 0.627 138 A CB -0.357 18.633 19.000 -0.018 0.000 0.815 138 A HN 0.404 nan 8.150 nan 0.000 0.443 139 E N -0.332 119.606 120.200 -0.438 0.000 2.150 139 E HA -0.148 4.203 4.350 0.000 0.000 0.193 139 E C 1.918 178.374 176.600 -0.240 0.000 0.985 139 E CA 0.895 57.044 56.400 -0.418 0.000 0.814 139 E CB -0.005 29.588 29.700 -0.179 0.000 0.752 139 E HN 0.355 nan 8.360 nan 0.000 0.466 140 K N 0.369 120.669 120.400 -0.166 0.000 2.057 140 K HA -0.106 4.214 4.320 0.000 0.000 0.207 140 K C 2.145 178.701 176.600 -0.073 0.000 1.049 140 K CA 0.763 56.992 56.287 -0.097 0.000 0.931 140 K CB -0.288 32.152 32.500 -0.100 0.000 0.714 140 K HN 0.076 nan 8.250 nan 0.000 0.440 141 V N 1.082 120.913 119.914 -0.138 0.000 2.307 141 V HA -0.199 3.921 4.120 0.000 0.000 0.245 141 V C 2.500 178.557 176.094 -0.062 0.000 1.045 141 V CA 1.258 63.505 62.300 -0.089 0.000 1.024 141 V CB -0.336 31.447 31.823 -0.068 0.000 0.651 141 V HN -0.021 nan 8.190 nan 0.000 0.449 142 V N 0.513 120.299 119.914 -0.212 0.000 2.255 142 V HA -0.317 3.803 4.120 0.000 0.000 0.247 142 V C 2.737 178.795 176.094 -0.060 0.000 1.051 142 V CA 2.307 64.478 62.300 -0.215 0.000 1.018 142 V CB -1.256 30.270 31.823 -0.496 0.000 0.641 142 V HN 0.570 nan 8.190 nan 0.000 0.445 143 A N -1.469 121.316 122.820 -0.058 0.000 1.972 143 A HA -0.274 4.046 4.320 0.000 0.000 0.219 143 A C 2.144 179.756 177.584 0.046 0.000 1.169 143 A CA 2.119 54.154 52.037 -0.003 0.000 0.635 143 A CB -0.759 18.233 19.000 -0.013 0.000 0.810 143 A HN 0.668 nan 8.150 nan 0.000 0.446 144 Y N -0.435 119.849 120.300 -0.027 0.000 2.163 144 Y HA -0.138 4.413 4.550 0.000 0.000 0.288 144 Y C 1.994 177.931 175.900 0.062 0.000 1.136 144 Y CA 1.568 59.675 58.100 0.012 0.000 1.147 144 Y CB -0.102 38.357 38.460 -0.001 0.000 0.987 144 Y HN 0.218 nan 8.280 nan 0.000 0.509 145 L N 0.730 122.127 121.223 0.291 0.000 2.141 145 L HA -0.172 4.168 4.340 0.000 0.000 0.209 145 L C 2.125 179.155 176.870 0.266 0.000 1.094 145 L CA 1.654 56.681 54.840 0.312 0.000 0.763 145 L CB -1.003 41.176 42.059 0.200 0.000 0.908 145 L HN 0.326 nan 8.230 nan 0.000 0.437 146 E N -0.921 119.359 120.200 0.132 0.000 2.072 146 E HA -0.162 4.188 4.350 0.000 0.000 0.191 146 E C 2.240 178.844 176.600 0.007 0.000 0.985 146 E CA 1.027 57.474 56.400 0.077 0.000 0.801 146 E CB -0.167 29.561 29.700 0.045 0.000 0.750 146 E HN 0.483 nan 8.360 nan 0.000 0.452 147 A N 1.531 124.327 122.820 -0.041 0.000 1.978 147 A HA -0.194 4.126 4.320 0.000 0.000 0.220 147 A C 1.844 179.354 177.584 -0.124 0.000 1.170 147 A CA 1.189 53.158 52.037 -0.113 0.000 0.636 147 A CB -0.223 18.651 19.000 -0.210 0.000 0.810 147 A HN 0.065 nan 8.150 nan 0.000 0.448 148 E N -1.427 118.724 120.200 -0.082 0.000 2.482 148 E HA 0.120 4.471 4.350 0.000 0.000 0.196 148 E C 1.283 177.730 176.600 -0.256 0.000 1.047 148 E CA 0.770 57.132 56.400 -0.064 0.000 0.869 148 E CB -0.062 29.735 29.700 0.162 0.000 0.836 148 E HN 0.822 nan 8.360 nan 0.000 0.520 149 G N 0.646 109.308 108.800 -0.230 0.000 2.184 149 G HA2 -0.225 3.735 3.960 0.000 0.000 0.206 149 G HA3 -0.225 3.735 3.960 0.000 0.000 0.206 149 G C 0.041 174.733 174.900 -0.348 0.000 0.995 149 G CA -0.343 44.573 45.100 -0.307 0.000 0.651 149 G HN 0.169 nan 8.290 nan 0.000 0.511 150 F N 1.746 121.701 119.950 0.009 0.000 2.375 150 F HA 0.562 5.089 4.527 0.000 0.000 0.333 150 F C 1.032 176.841 175.800 0.015 0.000 1.104 150 F CA -0.176 57.832 58.000 0.013 0.000 1.149 150 F CB 1.454 40.464 39.000 0.017 0.000 1.190 150 F HN -0.088 nan 8.300 nan 0.000 0.533 151 T N 4.648 119.332 114.554 0.216 0.000 2.728 151 T HA 0.360 4.710 4.350 0.000 0.000 0.296 151 T C -0.039 174.743 174.700 0.138 0.000 0.940 151 T CA -0.406 61.776 62.100 0.137 0.000 1.013 151 T CB 0.199 69.122 68.868 0.091 0.000 0.912 151 T HN 0.164 nan 8.240 nan 0.000 0.484 152 I N 4.341 124.988 120.570 0.127 0.000 2.287 152 I HA 0.158 4.328 4.170 0.000 0.000 0.290 152 I C 1.630 177.833 176.117 0.143 0.000 1.069 152 I CA -0.260 61.116 61.300 0.126 0.000 1.237 152 I CB 0.403 38.476 38.000 0.121 0.000 1.418 152 I HN 0.738 nan 8.210 nan 0.000 0.481 153 S N 3.186 118.949 115.700 0.105 0.000 2.446 153 S HA 0.084 4.555 4.470 0.000 0.000 0.225 153 S C 0.519 175.162 174.600 0.072 0.000 1.016 153 S CA 0.237 58.484 58.200 0.078 0.000 0.943 153 S CB 0.400 63.624 63.200 0.040 0.000 0.786 153 S HN 0.624 nan 8.310 nan 0.000 0.508 154 D N -0.363 120.092 120.400 0.092 0.000 2.717 154 D HA 0.454 5.094 4.640 0.000 0.000 0.223 154 D C -1.723 174.667 176.300 0.151 0.000 1.240 154 D CA -0.515 53.508 54.000 0.037 0.000 0.801 154 D CB 1.917 42.686 40.800 -0.052 0.000 1.556 154 D HN 0.430 nan 8.370 nan 0.000 0.462 155 W N 1.747 123.030 121.300 -0.028 0.000 3.213 155 W HA 0.663 5.323 4.660 0.000 0.000 0.318 155 W C -1.404 175.101 176.519 -0.024 0.000 1.248 155 W CA -0.760 56.569 57.345 -0.026 0.000 1.187 155 W CB 0.891 30.348 29.460 -0.005 0.000 1.403 155 W HN 0.155 nan 8.180 nan 0.000 0.556 156 R N 1.582 122.222 120.500 0.233 0.000 2.686 156 R HA 0.754 5.094 4.340 0.000 0.000 0.286 156 R C -1.048 175.406 176.300 0.257 0.000 0.969 156 R CA -0.851 55.310 56.100 0.101 0.000 0.898 156 R CB 2.091 32.391 30.300 -0.000 0.000 1.183 156 R HN 0.651 nan 8.270 nan 0.000 0.456 157 A N 3.035 125.984 122.820 0.215 0.000 2.353 157 A HA 0.438 4.758 4.320 0.000 0.000 0.299 157 A C 0.537 178.177 177.584 0.093 0.000 1.089 157 A CA -0.582 51.579 52.037 0.205 0.000 0.736 157 A CB 0.814 20.037 19.000 0.372 0.000 1.195 157 A HN 0.707 nan 8.150 nan 0.000 0.447 158 L N 1.041 122.285 121.223 0.036 0.000 2.492 158 L HA 0.103 4.443 4.340 0.000 0.000 0.223 158 L C 0.243 177.131 176.870 0.029 0.000 1.132 158 L CA 0.381 55.230 54.840 0.015 0.000 0.850 158 L CB -0.367 41.682 42.059 -0.016 0.000 0.966 158 L HN 0.917 nan 8.230 nan 0.000 0.454 159 E N -0.162 120.072 120.200 0.056 0.000 2.271 159 E HA -0.166 4.184 4.350 0.000 0.000 0.223 159 E C -0.719 175.910 176.600 0.048 0.000 1.223 159 E CA -0.146 56.294 56.400 0.066 0.000 0.704 159 E CB -1.651 28.087 29.700 0.062 0.000 1.194 159 E HN 0.137 nan 8.360 nan 0.000 0.375 160 V N 0.481 120.422 119.914 0.045 0.000 2.313 160 V HA 0.403 4.523 4.120 0.000 0.000 0.278 160 V C 1.123 177.250 176.094 0.056 0.000 1.017 160 V CA 0.463 62.786 62.300 0.038 0.000 0.823 160 V CB 1.295 33.129 31.823 0.018 0.000 1.010 160 V HN 0.489 nan 8.190 nan 0.000 0.443 161 A N 2.859 125.710 122.820 0.052 0.000 1.970 161 A HA -0.010 4.310 4.320 0.000 0.000 0.216 161 A C 1.168 178.780 177.584 0.047 0.000 1.170 161 A CA 0.584 52.652 52.037 0.052 0.000 0.645 161 A CB -0.072 18.950 19.000 0.036 0.000 0.816 161 A HN 0.734 nan 8.150 nan 0.000 0.447 162 D N 0.038 120.468 120.400 0.049 0.000 2.339 162 D HA 0.027 4.667 4.640 0.000 0.000 0.256 162 D C 0.413 176.748 176.300 0.058 0.000 1.214 162 D CA -0.084 53.953 54.000 0.063 0.000 0.877 162 D CB 0.516 41.356 40.800 0.067 0.000 1.111 162 D HN 0.153 nan 8.370 nan 0.000 0.478 163 N N 2.195 120.936 118.700 0.067 0.000 2.223 163 N HA -0.134 4.606 4.740 0.000 0.000 0.185 163 N C 1.415 176.950 175.510 0.043 0.000 1.016 163 N CA 1.218 54.301 53.050 0.055 0.000 0.863 163 N CB 0.202 38.722 38.487 0.056 0.000 0.983 163 N HN 0.364 nan 8.380 nan 0.000 0.429 164 T N 0.438 115.021 114.554 0.049 0.000 2.708 164 T HA -0.107 4.243 4.350 0.000 0.000 0.266 164 T C 1.492 176.201 174.700 0.016 0.000 1.037 164 T CA 1.242 63.358 62.100 0.027 0.000 1.146 164 T CB -0.273 68.608 68.868 0.023 0.000 0.865 164 T HN 0.392 nan 8.240 nan 0.000 0.435 165 E N 0.537 120.750 120.200 0.022 0.000 2.118 165 E HA -0.099 4.251 4.350 0.000 0.000 0.195 165 E C 2.351 178.954 176.600 0.006 0.000 0.992 165 E CA 0.913 57.321 56.400 0.013 0.000 0.804 165 E CB -0.307 29.404 29.700 0.018 0.000 0.741 165 E HN 0.256 nan 8.360 nan 0.000 0.458 166 V N 0.881 120.801 119.914 0.009 0.000 2.392 166 V HA -0.210 3.910 4.120 0.000 0.000 0.249 166 V C 2.307 178.392 176.094 -0.015 0.000 1.059 166 V CA 1.963 64.259 62.300 -0.005 0.000 1.051 166 V CB -0.819 31.005 31.823 0.001 0.000 0.658 166 V HN 0.412 nan 8.190 nan 0.000 0.455 167 G N -1.801 106.994 108.800 -0.008 0.000 2.534 167 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 167 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 167 G C 1.308 176.198 174.900 -0.016 0.000 1.128 167 G CA 1.040 46.131 45.100 -0.015 0.000 0.784 167 G HN 0.593 nan 8.290 nan 0.000 0.542 168 C N 0.577 119.870 119.300 -0.012 0.000 2.791 168 C HA 0.415 4.875 4.460 0.000 0.000 0.270 168 C C 1.113 176.095 174.990 -0.014 0.000 1.257 168 C CA -1.274 57.737 59.018 -0.012 0.000 1.699 168 C CB -1.119 26.616 27.740 -0.008 0.000 1.904 168 C HN 0.307 nan 8.230 nan 0.000 0.603 169 I N 4.517 125.077 120.570 -0.017 0.000 2.662 169 I HA 0.068 4.238 4.170 0.000 0.000 0.285 169 I C -1.722 174.383 176.117 -0.019 0.000 1.161 169 I CA -0.493 60.796 61.300 -0.019 0.000 1.415 169 I CB 0.419 38.402 38.000 -0.028 0.000 1.385 169 I HN 0.107 nan 8.210 nan 0.000 0.552 170 P HA 0.143 nan 4.420 nan 0.000 0.281 170 P C 0.806 178.099 177.300 -0.013 0.000 1.249 170 P CA -0.453 62.639 63.100 -0.014 0.000 0.810 170 P CB 1.135 32.828 31.700 -0.011 0.000 1.008 171 G N 2.135 110.928 108.800 -0.012 0.000 2.469 171 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 171 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 171 G C 1.211 176.108 174.900 -0.004 0.000 1.136 171 G CA 0.665 45.759 45.100 -0.009 0.000 0.759 171 G HN 0.697 nan 8.290 nan 0.000 0.562 172 E N 0.585 120.781 120.200 -0.005 0.000 2.150 172 E HA -0.199 4.151 4.350 0.000 0.000 0.193 172 E C 2.177 178.778 176.600 0.002 0.000 0.985 172 E CA 1.321 57.720 56.400 -0.002 0.000 0.814 172 E CB -0.601 29.096 29.700 -0.005 0.000 0.752 172 E HN 0.638 nan 8.360 nan 0.000 0.466 173 Q N 1.019 120.818 119.800 -0.002 0.000 2.172 173 Q HA -0.073 4.267 4.340 0.000 0.000 0.200 173 Q C 2.279 178.278 176.000 -0.002 0.000 0.964 173 Q CA 1.292 57.094 55.803 -0.003 0.000 0.855 173 Q CB 0.219 28.953 28.738 -0.008 0.000 0.918 173 Q HN 0.215 nan 8.270 nan 0.000 0.444 174 V N 0.675 120.588 119.914 -0.002 0.000 2.358 174 V HA -0.243 3.877 4.120 0.000 0.000 0.246 174 V C 2.367 178.476 176.094 0.025 0.000 1.047 174 V CA 1.396 63.696 62.300 0.001 0.000 1.035 174 V CB -0.405 31.415 31.823 -0.005 0.000 0.658 174 V HN 0.454 nan 8.190 nan 0.000 0.452 175 M N -0.256 119.367 119.600 0.038 0.000 2.319 175 M HA -0.002 4.478 4.480 0.000 0.000 0.265 175 M C 2.385 178.734 176.300 0.081 0.000 1.068 175 M CA 1.721 57.068 55.300 0.078 0.000 1.118 175 M CB -1.078 31.555 32.600 0.056 0.000 1.395 175 M HN 0.419 nan 8.290 nan 0.000 0.435 176 A N 0.597 123.442 122.820 0.042 0.000 1.902 176 A HA 0.005 4.326 4.320 0.000 0.000 0.217 176 A C 2.433 180.031 177.584 0.023 0.000 1.181 176 A CA 1.938 53.994 52.037 0.032 0.000 0.623 176 A CB -0.816 18.192 19.000 0.013 0.000 0.818 176 A HN 0.453 nan 8.150 nan 0.000 0.443 177 A N -0.133 122.694 122.820 0.011 0.000 1.902 177 A HA 0.134 4.454 4.320 0.000 0.000 0.217 177 A C 2.489 180.064 177.584 -0.015 0.000 1.181 177 A CA 2.175 54.207 52.037 -0.008 0.000 0.623 177 A CB -0.958 18.035 19.000 -0.011 0.000 0.818 177 A HN 1.030 nan 8.150 nan 0.000 0.443 178 A N -0.326 122.499 122.820 0.009 0.000 1.898 178 A HA -0.118 4.202 4.320 0.000 0.000 0.216 178 A C 2.202 179.750 177.584 -0.060 0.000 1.181 178 A CA 1.352 53.369 52.037 -0.034 0.000 0.620 178 A CB -0.448 18.585 19.000 0.055 0.000 0.819 178 A HN 0.521 nan 8.150 nan 0.000 0.442 179 R N 0.343 120.904 120.500 0.102 0.000 2.193 179 R HA -0.099 4.241 4.340 0.000 0.000 0.229 179 R C 2.362 178.677 176.300 0.025 0.000 1.110 179 R CA 1.390 57.572 56.100 0.137 0.000 0.988 179 R CB -0.297 30.107 30.300 0.173 0.000 0.871 179 R HN 0.725 nan 8.270 nan 0.000 0.458 180 S N 0.272 115.964 115.700 -0.013 0.000 2.461 180 S HA 0.018 4.488 4.470 0.000 0.000 0.228 180 S C 0.966 175.522 174.600 -0.072 0.000 1.005 180 S CA 0.065 58.242 58.200 -0.039 0.000 0.942 180 S CB -0.128 63.046 63.200 -0.044 0.000 0.776 180 S HN 0.095 nan 8.310 nan 0.000 0.514 181 L N 2.441 123.602 121.223 -0.103 0.000 2.461 181 L HA 0.274 4.614 4.340 0.000 0.000 0.272 181 L C 0.283 177.081 176.870 -0.120 0.000 1.197 181 L CA -0.359 54.404 54.840 -0.127 0.000 0.836 181 L CB 0.195 42.157 42.059 -0.162 0.000 1.105 181 L HN 0.175 nan 8.230 nan 0.000 0.477 182 D N 3.165 123.507 120.400 -0.098 0.000 2.336 182 D HA 0.166 4.806 4.640 0.000 0.000 0.249 182 D C 0.313 176.563 176.300 -0.083 0.000 1.213 182 D CA 0.144 54.099 54.000 -0.075 0.000 0.870 182 D CB 0.882 41.648 40.800 -0.056 0.000 1.076 182 D HN 0.356 nan 8.370 nan 0.000 0.483 183 L N 2.435 123.606 121.223 -0.087 0.000 2.766 183 L HA 0.108 4.448 4.340 0.000 0.000 0.242 183 L C 0.720 177.564 176.870 -0.043 0.000 1.136 183 L CA -0.276 54.507 54.840 -0.095 0.000 0.933 183 L CB 0.027 41.983 42.059 -0.170 0.000 1.241 183 L HN 0.293 nan 8.230 nan 0.000 0.522 184 S N 0.269 115.954 115.700 -0.025 0.000 2.525 184 S HA 0.051 4.521 4.470 0.000 0.000 0.285 184 S C 0.649 175.246 174.600 -0.005 0.000 1.283 184 S CA -0.250 57.946 58.200 -0.008 0.000 1.072 184 S CB 0.740 63.938 63.200 -0.004 0.000 0.867 184 S HN 0.480 nan 8.310 nan 0.000 0.492 185 E N -1.326 118.875 120.200 0.003 0.000 3.370 185 E HA -0.167 4.183 4.350 0.000 0.000 0.291 185 E C -0.662 175.943 176.600 0.008 0.000 0.916 185 E CA 0.822 57.227 56.400 0.008 0.000 0.981 185 E CB -2.026 27.680 29.700 0.010 0.000 1.498 185 E HN 0.553 nan 8.360 nan 0.000 0.452 186 V N 1.753 121.666 119.914 -0.003 0.000 2.488 186 V HA 0.018 4.138 4.120 0.000 0.000 0.277 186 V C 1.264 177.356 176.094 -0.003 0.000 1.046 186 V CA 0.254 62.549 62.300 -0.008 0.000 0.986 186 V CB 1.358 33.159 31.823 -0.037 0.000 0.989 186 V HN 0.131 nan 8.190 nan 0.000 0.475 187 D N 3.250 123.655 120.400 0.007 0.000 2.213 187 D HA 0.176 4.816 4.640 0.000 0.000 0.205 187 D C 0.664 176.961 176.300 -0.005 0.000 0.961 187 D CA 1.151 55.157 54.000 0.011 0.000 0.853 187 D CB 0.552 41.370 40.800 0.029 0.000 0.967 187 D HN 0.650 nan 8.370 nan 0.000 0.496 188 A N 0.280 123.084 122.820 -0.025 0.000 2.520 188 A HA 0.536 4.856 4.320 0.000 0.000 0.298 188 A C -1.777 175.767 177.584 -0.067 0.000 1.051 188 A CA -0.658 51.351 52.037 -0.047 0.000 0.690 188 A CB 1.654 20.610 19.000 -0.072 0.000 1.281 188 A HN 0.062 nan 8.150 nan 0.000 0.402 189 L N 2.674 123.860 121.223 -0.061 0.000 2.305 189 L HA 0.673 5.013 4.340 0.000 0.000 0.284 189 L C -0.921 175.911 176.870 -0.062 0.000 1.013 189 L CA -0.292 54.502 54.840 -0.077 0.000 0.819 189 L CB 1.674 43.672 42.059 -0.101 0.000 1.227 189 L HN 0.399 nan 8.230 nan 0.000 0.417 190 V N 7.660 127.531 119.914 -0.072 0.000 2.299 190 V HA 0.128 4.249 4.120 0.000 0.000 0.255 190 V C 1.502 177.569 176.094 -0.045 0.000 1.100 190 V CA 0.124 62.385 62.300 -0.065 0.000 0.938 190 V CB 0.202 31.975 31.823 -0.083 0.000 1.139 190 V HN 0.917 nan 8.190 nan 0.000 0.490 191 I N 2.992 123.545 120.570 -0.028 0.000 2.361 191 I HA -0.078 4.092 4.170 0.000 0.000 0.251 191 I C 1.212 177.310 176.117 -0.031 0.000 1.133 191 I CA 1.325 62.617 61.300 -0.013 0.000 1.413 191 I CB 0.483 38.496 38.000 0.021 0.000 1.073 191 I HN 0.606 nan 8.210 nan 0.000 0.424 192 S N -1.599 114.075 115.700 -0.043 0.000 2.733 192 S HA 0.214 4.684 4.470 0.000 0.000 0.294 192 S C 0.489 175.049 174.600 -0.066 0.000 1.149 192 S CA -0.955 57.204 58.200 -0.068 0.000 1.034 192 S CB 1.236 64.397 63.200 -0.066 0.000 1.015 192 S HN 0.291 nan 8.310 nan 0.000 0.486 193 C N 3.734 122.985 119.300 -0.082 0.000 2.468 193 C HA 0.418 4.878 4.460 0.000 0.000 0.277 193 C C 1.543 176.547 174.990 0.024 0.000 1.400 193 C CA 0.636 59.638 59.018 -0.026 0.000 1.770 193 C CB -1.503 26.253 27.740 0.028 0.000 1.905 193 C HN 0.862 nan 8.230 nan 0.000 0.519 194 A N 0.487 123.272 122.820 -0.058 0.000 2.306 194 A HA 0.504 4.824 4.320 0.000 0.000 0.314 194 A C 1.062 178.642 177.584 -0.007 0.000 1.164 194 A CA -0.000 52.049 52.037 0.020 0.000 0.822 194 A CB 0.646 19.591 19.000 -0.091 0.000 1.130 194 A HN 0.552 nan 8.150 nan 0.000 0.496 195 V N -0.005 119.918 119.914 0.016 0.000 3.217 195 V HA -0.092 4.028 4.120 0.000 0.000 0.264 195 V C 1.727 177.808 176.094 -0.022 0.000 1.135 195 V CA 2.078 64.371 62.300 -0.012 0.000 1.142 195 V CB -0.895 30.918 31.823 -0.016 0.000 0.754 195 V HN 0.910 nan 8.190 nan 0.000 0.484 196 Q N 0.673 120.466 119.800 -0.011 0.000 2.163 196 Q HA 0.171 4.512 4.340 0.000 0.000 0.198 196 Q C 1.335 177.316 176.000 -0.032 0.000 0.954 196 Q CA 0.779 56.571 55.803 -0.017 0.000 0.851 196 Q CB -0.149 28.590 28.738 0.002 0.000 0.928 196 Q HN 0.748 nan 8.270 nan 0.000 0.459 197 M N 2.724 122.294 119.600 -0.050 0.000 2.251 197 M HA 0.245 4.725 4.480 0.000 0.000 0.346 197 M C -2.212 174.058 176.300 -0.051 0.000 1.499 197 M CA -2.059 53.204 55.300 -0.061 0.000 1.128 197 M CB 0.742 33.282 32.600 -0.099 0.000 1.809 197 M HN -0.090 nan 8.290 nan 0.000 0.464 198 P HA 0.097 nan 4.420 nan 0.000 0.268 198 P C -0.741 176.539 177.300 -0.034 0.000 1.205 198 P CA -0.017 63.060 63.100 -0.038 0.000 0.771 198 P CB 0.837 32.518 31.700 -0.033 0.000 0.858 199 S N 0.365 116.046 115.700 -0.032 0.000 2.583 199 S HA 0.008 4.478 4.470 0.000 0.000 0.264 199 S C 1.128 175.716 174.600 -0.020 0.000 1.008 199 S CA -0.242 57.944 58.200 -0.024 0.000 1.435 199 S CB -0.924 62.261 63.200 -0.025 0.000 1.236 199 S HN 0.215 nan 8.310 nan 0.000 0.669 200 L N 3.168 124.376 121.223 -0.026 0.000 2.013 200 L HA 0.168 4.509 4.340 0.000 0.000 0.212 200 L C -1.256 175.604 176.870 -0.018 0.000 1.073 200 L CA 2.281 57.106 54.840 -0.024 0.000 0.753 200 L CB -1.331 40.709 42.059 -0.032 0.000 0.890 200 L HN 0.199 nan 8.230 nan 0.000 0.432 201 P HA -0.077 nan 4.420 nan 0.000 0.226 201 P C 1.649 178.940 177.300 -0.015 0.000 1.153 201 P CA 1.187 64.277 63.100 -0.017 0.000 0.777 201 P CB 0.007 31.696 31.700 -0.018 0.000 0.794 202 L N -2.357 118.859 121.223 -0.011 0.000 2.446 202 L HA -0.004 4.336 4.340 0.000 0.000 0.219 202 L C 2.114 178.986 176.870 0.003 0.000 1.116 202 L CA 0.296 55.133 54.840 -0.005 0.000 0.844 202 L CB -0.642 41.420 42.059 0.006 0.000 0.970 202 L HN -0.170 nan 8.230 nan 0.000 0.457 203 V N 0.204 120.120 119.914 0.003 0.000 2.237 203 V HA -0.268 3.852 4.120 0.000 0.000 0.245 203 V C 2.563 178.662 176.094 0.008 0.000 1.046 203 V CA 2.099 64.405 62.300 0.010 0.000 1.007 203 V CB -0.346 31.480 31.823 0.004 0.000 0.638 203 V HN 0.390 nan 8.190 nan 0.000 0.445 204 E N 0.956 121.155 120.200 -0.003 0.000 2.051 204 E HA -0.205 4.145 4.350 0.000 0.000 0.192 204 E C 2.334 178.920 176.600 -0.024 0.000 0.991 204 E CA 2.200 58.595 56.400 -0.008 0.000 0.799 204 E CB -0.594 29.101 29.700 -0.010 0.000 0.748 204 E HN 0.773 nan 8.360 nan 0.000 0.449 205 T N -1.571 112.961 114.554 -0.036 0.000 2.720 205 T HA -0.119 4.231 4.350 0.000 0.000 0.268 205 T C 1.999 176.632 174.700 -0.113 0.000 1.037 205 T CA 1.626 63.686 62.100 -0.067 0.000 1.144 205 T CB -0.614 68.216 68.868 -0.064 0.000 0.864 205 T HN 0.198 nan 8.240 nan 0.000 0.444 206 A N 1.365 124.136 122.820 -0.081 0.000 1.968 206 A HA 0.047 4.367 4.320 0.000 0.000 0.217 206 A C 2.282 179.842 177.584 -0.040 0.000 1.169 206 A CA 1.535 53.505 52.037 -0.113 0.000 0.638 206 A CB -0.774 18.289 19.000 0.105 0.000 0.812 206 A HN 0.668 nan 8.150 nan 0.000 0.446 207 E N -0.116 120.096 120.200 0.020 0.000 2.118 207 E HA -0.216 4.135 4.350 0.000 0.000 0.195 207 E C 2.179 178.780 176.600 0.002 0.000 0.992 207 E CA 1.182 57.610 56.400 0.047 0.000 0.804 207 E CB 0.004 29.722 29.700 0.030 0.000 0.741 207 E HN 0.501 nan 8.360 nan 0.000 0.458 208 R N 0.336 120.802 120.500 -0.056 0.000 2.062 208 R HA -0.091 4.250 4.340 0.000 0.000 0.229 208 R C 2.261 178.483 176.300 -0.129 0.000 1.128 208 R CA 1.125 57.182 56.100 -0.071 0.000 0.960 208 R CB -0.664 29.591 30.300 -0.074 0.000 0.855 208 R HN 0.318 nan 8.270 nan 0.000 0.432 209 E N 0.106 120.140 120.200 -0.276 0.000 2.153 209 E HA -0.120 4.230 4.350 0.000 0.000 0.194 209 E C 1.079 177.416 176.600 -0.438 0.000 0.988 209 E CA 1.013 57.141 56.400 -0.452 0.000 0.811 209 E CB 0.102 29.355 29.700 -0.745 0.000 0.746 209 E HN 0.337 nan 8.360 nan 0.000 0.466 210 F N -1.700 118.245 119.950 -0.009 0.000 2.717 210 F HA 0.281 4.808 4.527 0.000 0.000 0.297 210 F C 1.758 177.554 175.800 -0.007 0.000 1.113 210 F CA 0.002 57.997 58.000 -0.009 0.000 1.319 210 F CB 0.989 39.983 39.000 -0.010 0.000 1.097 210 F HN 0.185 nan 8.300 nan 0.000 0.595 211 G N 2.155 111.028 108.800 0.122 0.000 4.526 211 G HA2 -0.374 3.587 3.960 0.000 0.000 0.217 211 G HA3 -0.374 3.587 3.960 0.000 0.000 0.217 211 G C 0.530 175.480 174.900 0.082 0.000 1.428 211 G CA 0.054 45.200 45.100 0.078 0.000 0.928 211 G HN 0.408 nan 8.290 nan 0.000 0.639 212 I N 1.463 122.093 120.570 0.101 0.000 3.003 212 I HA 0.477 4.647 4.170 0.000 0.000 0.294 212 I C -2.045 174.109 176.117 0.062 0.000 1.237 212 I CA -1.314 60.026 61.300 0.066 0.000 1.417 212 I CB 0.055 38.082 38.000 0.045 0.000 1.340 212 I HN 0.135 nan 8.210 nan 0.000 0.594 213 P HA 0.105 nan 4.420 nan 0.000 0.265 213 P C -0.812 176.497 177.300 0.014 0.000 1.193 213 P CA 0.013 63.122 63.100 0.015 0.000 0.765 213 P CB 0.742 32.437 31.700 -0.008 0.000 0.823 214 V N 4.929 124.855 119.914 0.021 0.000 2.495 214 V HA 0.574 4.694 4.120 0.000 0.000 0.298 214 V C 0.333 176.422 176.094 -0.008 0.000 1.031 214 V CA -0.447 61.866 62.300 0.021 0.000 0.871 214 V CB 1.290 33.154 31.823 0.068 0.000 0.988 214 V HN 0.390 nan 8.190 nan 0.000 0.432 215 L N 2.713 123.920 121.223 -0.028 0.000 2.403 215 L HA 1.048 5.388 4.340 0.000 0.000 0.253 215 L C -0.414 176.433 176.870 -0.039 0.000 1.045 215 L CA -0.510 54.306 54.840 -0.039 0.000 0.845 215 L CB 2.450 44.467 42.059 -0.071 0.000 1.447 215 L HN 0.637 nan 8.230 nan 0.000 0.411 216 S N -0.377 115.301 115.700 -0.036 0.000 2.667 216 S HA 0.753 5.223 4.470 0.000 0.000 0.292 216 S C 0.802 175.380 174.600 -0.037 0.000 1.126 216 S CA -0.226 57.952 58.200 -0.037 0.000 0.881 216 S CB 1.602 64.783 63.200 -0.031 0.000 1.132 216 S HN 1.133 nan 8.310 nan 0.000 0.492 217 A N 1.075 123.874 122.820 -0.035 0.000 1.958 217 A HA 0.046 4.366 4.320 0.000 0.000 0.221 217 A C 2.297 179.872 177.584 -0.016 0.000 1.178 217 A CA 2.368 54.389 52.037 -0.026 0.000 0.642 217 A CB -1.708 17.282 19.000 -0.016 0.000 0.816 217 A HN 1.441 nan 8.150 nan 0.000 0.453 218 A N -0.480 122.328 122.820 -0.021 0.000 1.873 218 A HA -0.096 4.224 4.320 0.000 0.000 0.215 218 A C 2.488 180.067 177.584 -0.008 0.000 1.186 218 A CA 2.634 54.657 52.037 -0.022 0.000 0.616 218 A CB -1.441 17.536 19.000 -0.038 0.000 0.823 218 A HN 0.853 nan 8.150 nan 0.000 0.442 219 T N -2.212 112.339 114.554 -0.004 0.000 2.867 219 T HA 0.109 4.459 4.350 0.000 0.000 0.268 219 T C 1.914 176.645 174.700 0.052 0.000 1.057 219 T CA 1.606 63.717 62.100 0.018 0.000 1.136 219 T CB -0.526 68.348 68.868 0.010 0.000 0.874 219 T HN 0.548 nan 8.240 nan 0.000 0.466 220 A N 1.853 124.688 122.820 0.026 0.000 1.902 220 A HA 0.259 4.579 4.320 0.000 0.000 0.217 220 A C 2.741 180.387 177.584 0.104 0.000 1.181 220 A CA 1.649 53.714 52.037 0.047 0.000 0.623 220 A CB -1.629 17.363 19.000 -0.013 0.000 0.818 220 A HN 0.614 nan 8.150 nan 0.000 0.443 221 G N -0.466 108.368 108.800 0.056 0.000 2.418 221 G HA2 -0.013 3.947 3.960 0.000 0.000 0.217 221 G HA3 -0.013 3.947 3.960 0.000 0.000 0.217 221 G C 1.760 176.695 174.900 0.058 0.000 1.158 221 G CA 1.533 46.666 45.100 0.054 0.000 0.771 221 G HN 0.802 nan 8.290 nan 0.000 0.545 222 A N 0.090 122.939 122.820 0.047 0.000 1.883 222 A HA -0.081 4.240 4.320 0.000 0.000 0.217 222 A C 2.197 179.814 177.584 0.055 0.000 1.186 222 A CA 1.806 53.856 52.037 0.022 0.000 0.624 222 A CB -0.779 18.228 19.000 0.012 0.000 0.822 222 A HN 0.514 nan 8.150 nan 0.000 0.444 223 Y N 0.693 120.995 120.300 0.003 0.000 2.097 223 Y HA -0.230 4.321 4.550 0.000 0.000 0.282 223 Y C 2.928 178.844 175.900 0.026 0.000 1.152 223 Y CA 2.139 60.252 58.100 0.021 0.000 1.136 223 Y CB -0.599 37.872 38.460 0.018 0.000 0.975 223 Y HN 0.309 nan 8.280 nan 0.000 0.498 224 S N 0.023 115.811 115.700 0.146 0.000 2.370 224 S HA -0.227 4.243 4.470 0.000 0.000 0.226 224 S C 2.035 176.616 174.600 -0.032 0.000 1.033 224 S CA 1.866 60.102 58.200 0.059 0.000 1.011 224 S CB -0.716 62.555 63.200 0.118 0.000 0.852 224 S HN 0.534 nan 8.310 nan 0.000 0.457 225 I N 1.135 121.695 120.570 -0.016 0.000 2.163 225 I HA -0.199 3.971 4.170 0.000 0.000 0.243 225 I C 2.224 178.314 176.117 -0.044 0.000 1.085 225 I CA 1.167 62.453 61.300 -0.023 0.000 1.347 225 I CB -0.298 37.682 38.000 -0.034 0.000 1.044 225 I HN 0.316 nan 8.210 nan 0.000 0.408 226 L N -0.224 120.949 121.223 -0.083 0.000 2.046 226 L HA -0.209 4.131 4.340 0.000 0.000 0.208 226 L C 2.780 179.586 176.870 -0.107 0.000 1.077 226 L CA 1.107 55.908 54.840 -0.066 0.000 0.747 226 L CB -0.642 41.388 42.059 -0.048 0.000 0.896 226 L HN 0.193 nan 8.230 nan 0.000 0.432 227 R N 0.160 120.525 120.500 -0.225 0.000 2.081 227 R HA -0.127 4.213 4.340 0.000 0.000 0.235 227 R C 2.598 178.854 176.300 -0.074 0.000 1.131 227 R CA 1.734 57.721 56.100 -0.188 0.000 0.960 227 R CB -1.113 29.024 30.300 -0.273 0.000 0.856 227 R HN 0.530 nan 8.270 nan 0.000 0.436 228 S N 0.551 116.222 115.700 -0.047 0.000 2.399 228 S HA -0.062 4.408 4.470 0.000 0.000 0.231 228 S C 1.861 176.460 174.600 -0.001 0.000 1.022 228 S CA 0.857 59.053 58.200 -0.007 0.000 0.983 228 S CB -0.318 62.888 63.200 0.010 0.000 0.803 228 S HN 0.278 nan 8.310 nan 0.000 0.480 229 L N 1.527 122.750 121.223 -0.000 0.000 2.629 229 L HA 0.210 4.550 4.340 0.000 0.000 0.230 229 L C -0.342 176.527 176.870 -0.003 0.000 1.151 229 L CA -0.063 54.783 54.840 0.009 0.000 0.924 229 L CB -0.604 41.480 42.059 0.041 0.000 1.137 229 L HN 0.175 nan 8.230 nan 0.000 0.457 230 D N 0.965 121.360 120.400 -0.008 0.000 2.689 230 D HA -0.188 4.452 4.640 0.000 0.000 0.237 230 D C -0.377 175.924 176.300 0.002 0.000 1.148 230 D CA 0.715 54.712 54.000 -0.005 0.000 0.656 230 D CB -0.586 40.212 40.800 -0.002 0.000 1.050 230 D HN 0.079 nan 8.370 nan 0.000 0.426 231 L N 0.631 121.858 121.223 0.006 0.000 2.342 231 L HA 0.491 4.831 4.340 0.000 0.000 0.271 231 L C -1.938 174.986 176.870 0.090 0.000 1.008 231 L CA -1.997 52.865 54.840 0.035 0.000 0.818 231 L CB 1.348 43.410 42.059 0.005 0.000 1.296 231 L HN -0.229 nan 8.230 nan 0.000 0.427 232 P HA 0.066 nan 4.420 nan 0.000 0.268 232 P C -0.458 176.963 177.300 0.202 0.000 1.204 232 P CA -0.206 62.987 63.100 0.154 0.000 0.768 232 P CB 0.508 32.289 31.700 0.135 0.000 0.842 233 V N 0.380 120.356 119.914 0.104 0.000 2.229 233 V HA 0.561 4.681 4.120 0.000 0.000 0.245 233 V C 0.596 176.741 176.094 0.085 0.000 1.243 233 V CA -0.232 62.131 62.300 0.106 0.000 1.176 233 V CB -0.597 31.280 31.823 0.090 0.000 1.323 233 V HN 0.615 nan 8.190 nan 0.000 0.499 234 A N 4.420 127.261 122.820 0.035 0.000 3.308 234 A HA 0.702 5.022 4.320 0.000 0.000 0.275 234 A C -0.351 177.161 177.584 -0.120 0.000 0.950 234 A CA -0.273 51.721 52.037 -0.071 0.000 0.987 234 A CB 0.636 19.550 19.000 -0.143 0.000 1.146 234 A HN 0.746 nan 8.150 nan 0.000 0.488 235 V N 2.931 122.842 119.914 -0.004 0.000 2.370 235 V HA 0.443 4.563 4.120 0.000 0.000 0.283 235 V C -2.161 173.945 176.094 0.020 0.000 1.023 235 V CA -1.512 60.801 62.300 0.020 0.000 0.857 235 V CB 1.678 33.554 31.823 0.088 0.000 0.985 235 V HN 0.597 nan 8.190 nan 0.000 0.443 236 P HA 0.356 nan 4.420 nan 0.000 0.278 236 P C 0.706 178.014 177.300 0.013 0.000 1.258 236 P CA 0.276 63.380 63.100 0.008 0.000 0.811 236 P CB 1.269 32.969 31.700 0.000 0.000 1.063 237 G N 0.105 108.910 108.800 0.008 0.000 2.153 237 G HA2 -0.126 3.834 3.960 0.000 0.000 0.252 237 G HA3 -0.126 3.834 3.960 0.000 0.000 0.252 237 G C 0.526 175.429 174.900 0.006 0.000 0.994 237 G CA 0.265 45.368 45.100 0.005 0.000 0.698 237 G HN 0.860 nan 8.290 nan 0.000 0.521 238 A N -0.737 122.090 122.820 0.012 0.000 2.592 238 A HA 0.790 5.110 4.320 0.000 0.000 0.290 238 A C 1.396 178.989 177.584 0.016 0.000 0.998 238 A CA 1.246 53.291 52.037 0.013 0.000 0.983 238 A CB 0.138 19.149 19.000 0.019 0.000 1.240 238 A HN 2.473 nan 8.150 nan 0.000 0.535 239 G N -0.265 108.544 108.800 0.014 0.000 2.692 239 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 239 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 239 G C 0.467 175.378 174.900 0.018 0.000 1.243 239 G CA -0.011 45.097 45.100 0.013 0.000 0.782 239 G HN 0.502 nan 8.290 nan 0.000 0.625 240 R N 0.513 121.022 120.500 0.014 0.000 2.133 240 R HA -0.170 4.170 4.340 0.000 0.000 0.247 240 R C 2.733 179.048 176.300 0.024 0.000 1.151 240 R CA 2.336 58.447 56.100 0.018 0.000 0.971 240 R CB -0.310 29.997 30.300 0.012 0.000 0.866 240 R HN 0.860 nan 8.270 nan 0.000 0.447 241 L N 1.104 122.328 121.223 0.002 0.000 2.081 241 L HA -0.168 4.172 4.340 0.000 0.000 0.212 241 L C 1.801 178.730 176.870 0.099 0.000 1.080 241 L CA 1.745 56.569 54.840 -0.025 0.000 0.754 241 L CB -0.198 41.796 42.059 -0.109 0.000 0.893 241 L HN 0.226 nan 8.230 nan 0.000 0.433 242 L N -0.994 120.295 121.223 0.111 0.000 2.611 242 L HA 0.116 4.457 4.340 0.000 0.000 0.229 242 L C 1.637 178.576 176.870 0.115 0.000 1.137 242 L CA 0.105 55.040 54.840 0.159 0.000 0.901 242 L CB -0.194 41.935 42.059 0.116 0.000 1.098 242 L HN 0.158 nan 8.230 nan 0.000 0.456 243 R N -0.954 119.599 120.500 0.089 0.000 2.543 243 R HA 0.113 4.453 4.340 0.000 0.000 0.323 243 R C 1.287 177.625 176.300 0.064 0.000 1.002 243 R CA -0.138 55.997 56.100 0.059 0.000 1.106 243 R CB 0.432 30.753 30.300 0.036 0.000 1.280 243 R HN 0.401 nan 8.270 nan 0.000 0.549 244 Q N 0.483 120.342 119.800 0.099 0.000 2.297 244 Q HA -0.112 4.228 4.340 0.000 0.000 0.208 244 Q C -0.063 175.981 176.000 0.073 0.000 0.981 244 Q CA 1.108 56.969 55.803 0.096 0.000 0.876 244 Q CB 0.124 28.951 28.738 0.149 0.000 0.921 244 Q HN 0.289 nan 8.270 nan 0.000 0.446 245 D N 0.018 120.457 120.400 0.065 0.000 2.385 245 D HA 0.237 4.877 4.640 0.000 0.000 0.254 245 D C 0.195 176.510 176.300 0.024 0.000 1.053 245 D CA 0.197 54.224 54.000 0.045 0.000 0.992 245 D CB 1.271 42.101 40.800 0.049 0.000 1.145 245 D HN 0.116 nan 8.370 nan 0.000 0.523 246 S N 0.000 115.710 115.700 0.017 0.000 2.498 246 S HA 0.000 4.470 4.470 0.000 0.000 0.327 246 S CA 0.000 58.205 58.200 0.008 0.000 1.107 246 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 246 S HN 0.000 nan 8.310 nan 0.000 0.517