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 1hb7_1_E DATA FIRST_RESID 13 DATA SEQUENCE AALRNQQAMA ANLQARQIVL QQSYPVIQQV ETQTFDPANR SVFDVTPANV DATA SEQUENCE GIVKGFLVKV TAAITNNHAT EAVALTDFGP ANLVQRVIYY DPDNQRHTET DATA SEQUENCE SGWHLHFVNT AKQGAPFLSS MVTDSPIKYG DVMNVIDAPA TIAAGATGEL DATA SEQUENCE TMYYWVPLAY SETDLTGAVL ANVPQSKQRL KLEFANNNTA FAAVGANPLE DATA SEQUENCE AIYQGAGAAD CEFEEISYTV YQSYLDQLPV GQNGYILPLI DLSTLYNLEN DATA SEQUENCE SAQAGLTPNV DFVVQYANLY RYLSTIAVFD NGGSFNAGTD INYLSQRTAN DATA SEQUENCE FSDTRKLDPK TWAAQTRRRI ATDFPKGVYY CDNRDKPIYT LQYGNVGFVV DATA SEQUENCE NPKTVNQNAR LLMGYEYFTS RTE 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 13 A HA 0.000 nan 4.320 nan 0.000 0.244 13 A C 0.000 177.588 177.584 0.007 0.000 1.274 13 A CA 0.000 52.041 52.037 0.006 0.000 0.836 13 A CB 0.000 19.004 19.000 0.006 0.000 0.831 14 A N -0.335 122.489 122.820 0.008 0.000 4.029 14 A HA -0.069 4.251 4.320 0.000 0.000 0.268 14 A C 2.198 179.784 177.584 0.005 0.000 0.943 14 A CA 3.042 55.084 52.037 0.008 0.000 1.137 14 A CB -2.309 16.696 19.000 0.009 0.000 1.074 14 A HN 2.547 nan 8.150 nan 0.000 0.854 15 L N -2.140 119.085 121.223 0.004 0.000 2.341 15 L HA 0.552 4.892 4.340 0.000 0.000 0.214 15 L C 2.809 179.680 176.870 0.002 0.000 1.115 15 L CA 2.434 57.276 54.840 0.002 0.000 0.820 15 L CB -2.436 39.624 42.059 0.003 0.000 0.944 15 L HN 1.494 nan 8.230 nan 0.000 0.452 16 R N 0.437 120.939 120.500 0.003 0.000 2.092 16 R HA -0.149 4.191 4.340 0.000 0.000 0.231 16 R C 2.032 178.333 176.300 0.000 0.000 1.119 16 R CA 1.616 57.717 56.100 0.002 0.000 0.970 16 R CB -1.590 28.712 30.300 0.004 0.000 0.864 16 R HN 0.853 nan 8.270 nan 0.000 0.440 17 N N 0.092 118.792 118.700 0.000 0.000 2.300 17 N HA -0.151 4.589 4.740 0.000 0.000 0.179 17 N C 1.925 177.431 175.510 -0.007 0.000 1.016 17 N CA 1.412 54.460 53.050 -0.004 0.000 0.876 17 N CB -0.116 38.370 38.487 -0.002 0.000 0.979 17 N HN 0.698 nan 8.380 nan 0.000 0.432 18 Q N 1.063 120.860 119.800 -0.005 0.000 2.167 18 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 18 Q C 1.750 177.745 176.000 -0.007 0.000 0.970 18 Q CA 1.178 56.977 55.803 -0.007 0.000 0.855 18 Q CB 0.205 28.941 28.738 -0.004 0.000 0.911 18 Q HN 0.427 nan 8.270 nan 0.000 0.438 19 Q N -0.619 119.178 119.800 -0.005 0.000 2.096 19 Q HA -0.050 4.290 4.340 0.000 0.000 0.197 19 Q C 2.146 178.142 176.000 -0.006 0.000 0.964 19 Q CA 0.983 56.783 55.803 -0.004 0.000 0.838 19 Q CB -0.114 28.623 28.738 -0.001 0.000 0.906 19 Q HN 0.436 nan 8.270 nan 0.000 0.444 20 A N 1.241 124.057 122.820 -0.007 0.000 1.940 20 A HA -0.200 4.120 4.320 0.000 0.000 0.219 20 A C 2.118 179.692 177.584 -0.016 0.000 1.176 20 A CA 1.342 53.373 52.037 -0.009 0.000 0.631 20 A CB -0.440 18.555 19.000 -0.009 0.000 0.814 20 A HN 0.248 nan 8.150 nan 0.000 0.446 21 M N -0.705 118.883 119.600 -0.019 0.000 2.086 21 M HA -0.151 4.329 4.480 0.000 0.000 0.261 21 M C 2.578 178.865 176.300 -0.023 0.000 1.067 21 M CA 1.721 57.005 55.300 -0.027 0.000 1.116 21 M CB -1.199 31.385 32.600 -0.027 0.000 1.348 21 M HN 0.504 nan 8.290 nan 0.000 0.407 22 A N 0.103 122.914 122.820 -0.016 0.000 1.930 22 A HA 0.036 4.356 4.320 0.000 0.000 0.217 22 A C 2.389 179.967 177.584 -0.010 0.000 1.175 22 A CA 1.879 53.908 52.037 -0.012 0.000 0.627 22 A CB -0.791 18.204 19.000 -0.008 0.000 0.815 22 A HN 0.491 nan 8.150 nan 0.000 0.443 23 A N 0.296 123.111 122.820 -0.008 0.000 1.898 23 A HA -0.200 4.120 4.320 0.000 0.000 0.216 23 A C 2.085 179.664 177.584 -0.007 0.000 1.181 23 A CA 1.664 53.699 52.037 -0.005 0.000 0.620 23 A CB -0.700 18.299 19.000 -0.002 0.000 0.819 23 A HN 0.672 nan 8.150 nan 0.000 0.442 24 N N -0.056 118.635 118.700 -0.014 0.000 2.084 24 N HA -0.165 4.575 4.740 0.000 0.000 0.190 24 N C 1.802 177.298 175.510 -0.022 0.000 1.030 24 N CA 1.817 54.855 53.050 -0.021 0.000 0.849 24 N CB -0.240 38.227 38.487 -0.033 0.000 1.012 24 N HN 0.336 nan 8.380 nan 0.000 0.423 25 L N 1.963 123.172 121.223 -0.024 0.000 2.046 25 L HA -0.123 4.217 4.340 0.000 0.000 0.208 25 L C 2.626 179.488 176.870 -0.014 0.000 1.077 25 L CA 1.620 56.446 54.840 -0.022 0.000 0.747 25 L CB -0.998 41.048 42.059 -0.022 0.000 0.896 25 L HN 0.278 nan 8.230 nan 0.000 0.432 26 Q N -0.786 119.008 119.800 -0.010 0.000 2.050 26 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 26 Q C 2.124 178.123 176.000 -0.003 0.000 0.980 26 Q CA 1.970 57.770 55.803 -0.005 0.000 0.840 26 Q CB -0.211 28.526 28.738 -0.002 0.000 0.898 26 Q HN 0.645 nan 8.270 nan 0.000 0.424 27 A N 1.196 124.015 122.820 -0.002 0.000 1.933 27 A HA -0.204 4.116 4.320 0.000 0.000 0.218 27 A C 2.112 179.694 177.584 -0.004 0.000 1.175 27 A CA 1.436 53.474 52.037 0.001 0.000 0.628 27 A CB -0.676 18.327 19.000 0.005 0.000 0.814 27 A HN 0.430 nan 8.150 nan 0.000 0.444 28 R N -0.190 120.304 120.500 -0.010 0.000 2.083 28 R HA -0.218 4.122 4.340 0.000 0.000 0.237 28 R C 2.285 178.579 176.300 -0.009 0.000 1.137 28 R CA 2.045 58.137 56.100 -0.012 0.000 0.951 28 R CB -0.378 29.911 30.300 -0.017 0.000 0.851 28 R HN 0.714 nan 8.270 nan 0.000 0.434 29 Q N 0.129 119.924 119.800 -0.008 0.000 2.084 29 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 29 Q C 2.275 178.272 176.000 -0.005 0.000 0.978 29 Q CA 1.804 57.603 55.803 -0.006 0.000 0.844 29 Q CB -0.148 28.587 28.738 -0.005 0.000 0.898 29 Q HN 0.448 nan 8.270 nan 0.000 0.426 30 I N 0.070 120.639 120.570 -0.002 0.000 2.179 30 I HA -0.261 3.909 4.170 0.000 0.000 0.242 30 I C 2.260 178.376 176.117 -0.002 0.000 1.088 30 I CA 0.842 62.143 61.300 0.001 0.000 1.357 30 I CB -0.334 37.671 38.000 0.008 0.000 1.051 30 I HN 0.046 nan 8.210 nan 0.000 0.409 31 V N 1.205 121.115 119.914 -0.007 0.000 2.287 31 V HA -0.286 3.834 4.120 0.000 0.000 0.248 31 V C 2.409 178.494 176.094 -0.015 0.000 1.053 31 V CA 1.831 64.121 62.300 -0.016 0.000 1.027 31 V CB -0.458 31.351 31.823 -0.024 0.000 0.646 31 V HN 0.366 nan 8.190 nan 0.000 0.447 32 L N -0.736 120.479 121.223 -0.013 0.000 2.083 32 L HA -0.182 4.158 4.340 0.000 0.000 0.209 32 L C 2.732 179.593 176.870 -0.014 0.000 1.083 32 L CA 1.297 56.129 54.840 -0.014 0.000 0.752 32 L CB -0.582 41.470 42.059 -0.012 0.000 0.899 32 L HN 0.334 nan 8.230 nan 0.000 0.433 33 Q N -0.442 119.352 119.800 -0.010 0.000 2.123 33 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 33 Q C 2.248 178.244 176.000 -0.007 0.000 0.966 33 Q CA 1.174 56.972 55.803 -0.008 0.000 0.845 33 Q CB -0.028 28.707 28.738 -0.005 0.000 0.907 33 Q HN 0.520 nan 8.270 nan 0.000 0.439 34 Q N 0.315 120.113 119.800 -0.004 0.000 2.204 34 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 34 Q C 1.184 177.183 176.000 -0.002 0.000 0.946 34 Q CA 0.340 56.143 55.803 0.001 0.000 0.859 34 Q CB 0.041 28.784 28.738 0.009 0.000 0.946 34 Q HN 0.295 nan 8.270 nan 0.000 0.474 35 S N -1.023 114.671 115.700 -0.011 0.000 2.608 35 S HA 0.404 4.874 4.470 0.000 0.000 0.261 35 S C -0.019 174.569 174.600 -0.020 0.000 1.314 35 S CA -0.384 57.807 58.200 -0.014 0.000 0.992 35 S CB 0.084 63.271 63.200 -0.022 0.000 0.935 35 S HN 0.311 nan 8.310 nan 0.000 0.564 36 Y N -0.230 120.055 120.300 -0.025 0.000 2.328 36 Y HA 0.730 5.280 4.550 0.000 0.000 0.336 36 Y C -2.854 172.994 175.900 -0.086 0.000 0.960 36 Y CA -3.246 54.827 58.100 -0.044 0.000 1.134 36 Y CB 0.982 39.422 38.460 -0.033 0.000 1.166 36 Y HN 0.831 nan 8.280 nan 0.000 0.464 37 P HA 0.450 nan 4.420 nan 0.000 0.276 37 P C -0.844 176.324 177.300 -0.220 0.000 1.230 37 P CA 0.247 63.258 63.100 -0.148 0.000 0.776 37 P CB 2.168 33.806 31.700 -0.103 0.000 0.888 38 V N 5.012 124.688 119.914 -0.396 0.000 2.760 38 V HA 0.453 4.573 4.120 0.000 0.000 0.309 38 V C 0.068 175.921 176.094 -0.403 0.000 1.077 38 V CA -0.757 61.262 62.300 -0.469 0.000 0.910 38 V CB 2.431 33.768 31.823 -0.811 0.000 1.008 38 V HN 0.524 nan 8.190 nan 0.000 0.424 39 I N 3.548 124.028 120.570 -0.151 0.000 2.418 39 I HA 0.629 4.799 4.170 0.000 0.000 0.287 39 I C -0.697 175.510 176.117 0.151 0.000 1.008 39 I CA -0.024 61.292 61.300 0.027 0.000 1.104 39 I CB 1.458 39.479 38.000 0.035 0.000 1.264 39 I HN 0.836 nan 8.210 nan 0.000 0.438 40 Q N 6.452 126.433 119.800 0.302 0.000 2.359 40 Q HA 0.311 4.651 4.340 0.000 0.000 0.274 40 Q C -1.377 174.841 176.000 0.363 0.000 1.074 40 Q CA -0.773 55.237 55.803 0.345 0.000 0.810 40 Q CB 2.209 31.151 28.738 0.340 0.000 1.342 40 Q HN 0.734 nan 8.270 nan 0.000 0.427 41 Q N 1.898 121.846 119.800 0.246 0.000 2.337 41 Q HA 0.162 4.502 4.340 0.000 0.000 0.270 41 Q C 0.138 176.140 176.000 0.002 0.000 1.002 41 Q CA 0.161 55.892 55.803 -0.119 0.000 0.888 41 Q CB 0.964 29.549 28.738 -0.255 0.000 1.222 41 Q HN 0.641 nan 8.270 nan 0.000 0.400 42 V N 0.064 119.976 119.914 -0.004 0.000 3.572 42 V HA 0.415 4.535 4.120 0.000 0.000 0.260 42 V C 0.113 176.224 176.094 0.027 0.000 1.324 42 V CA 0.486 62.820 62.300 0.057 0.000 1.068 42 V CB 0.333 32.235 31.823 0.132 0.000 0.837 42 V HN 0.840 nan 8.190 nan 0.000 0.450 43 E N -0.572 119.625 120.200 -0.005 0.000 2.400 43 E HA 0.539 4.889 4.350 0.000 0.000 0.285 43 E C -1.642 174.910 176.600 -0.081 0.000 1.005 43 E CA -0.310 56.089 56.400 -0.002 0.000 0.816 43 E CB 2.258 32.016 29.700 0.098 0.000 1.220 43 E HN 0.231 nan 8.360 nan 0.000 0.426 44 T N 2.993 117.432 114.554 -0.192 0.000 2.952 44 T HA 0.469 4.819 4.350 0.000 0.000 0.305 44 T C -1.251 173.159 174.700 -0.484 0.000 1.064 44 T CA -0.690 61.194 62.100 -0.360 0.000 1.008 44 T CB 1.704 70.437 68.868 -0.226 0.000 1.078 44 T HN 0.385 nan 8.240 nan 0.000 0.459 45 Q N 0.919 120.226 119.800 -0.822 0.000 2.391 45 Q HA 0.538 4.878 4.340 0.000 0.000 0.279 45 Q C -1.379 174.353 176.000 -0.446 0.000 1.028 45 Q CA -0.796 54.648 55.803 -0.598 0.000 0.836 45 Q CB 2.832 31.167 28.738 -0.672 0.000 1.414 45 Q HN 0.580 nan 8.270 nan 0.000 0.397 46 T N 2.622 117.064 114.554 -0.187 0.000 2.824 46 T HA 0.763 5.113 4.350 0.000 0.000 0.282 46 T C -1.031 173.686 174.700 0.028 0.000 0.993 46 T CA -0.427 61.587 62.100 -0.144 0.000 0.967 46 T CB 0.379 69.168 68.868 -0.131 0.000 0.960 46 T HN 0.448 nan 8.240 nan 0.000 0.441 47 F N -0.046 119.819 119.950 -0.142 0.000 2.685 47 F HA 0.747 5.274 4.527 0.000 0.000 0.315 47 F C -1.386 174.398 175.800 -0.026 0.000 1.126 47 F CA -1.339 56.641 58.000 -0.032 0.000 0.950 47 F CB 1.209 40.267 39.000 0.097 0.000 1.360 47 F HN 0.294 nan 8.300 nan 0.000 0.469 48 D N 1.894 122.404 120.400 0.184 0.000 2.329 48 D HA 0.428 5.068 4.640 0.000 0.000 0.232 48 D C -2.093 174.362 176.300 0.258 0.000 1.088 48 D CA -2.585 51.470 54.000 0.092 0.000 0.835 48 D CB 2.070 42.933 40.800 0.105 0.000 1.078 48 D HN 0.218 nan 8.370 nan 0.000 0.495 49 P HA -0.101 nan 4.420 nan 0.000 0.220 49 P C 0.895 178.327 177.300 0.219 0.000 1.144 49 P CA 1.061 64.311 63.100 0.251 0.000 0.800 49 P CB 0.279 31.984 31.700 0.009 0.000 0.772 50 A N -0.626 122.307 122.820 0.189 0.000 2.015 50 A HA -0.182 4.138 4.320 0.000 0.000 0.219 50 A C 2.063 179.721 177.584 0.122 0.000 1.163 50 A CA 1.594 53.723 52.037 0.153 0.000 0.646 50 A CB -0.924 18.157 19.000 0.134 0.000 0.806 50 A HN 0.157 nan 8.150 nan 0.000 0.448 51 N N -0.373 118.408 118.700 0.135 0.000 2.305 51 N HA 0.040 4.780 4.740 0.000 0.000 0.179 51 N C 0.574 176.120 175.510 0.060 0.000 1.019 51 N CA 1.047 54.154 53.050 0.095 0.000 0.869 51 N CB 0.076 38.625 38.487 0.103 0.000 1.000 51 N HN 0.774 nan 8.380 nan 0.000 0.431 52 R N -1.341 119.218 120.500 0.098 0.000 2.634 52 R HA 0.436 4.776 4.340 0.000 0.000 0.263 52 R C -0.542 175.764 176.300 0.010 0.000 1.060 52 R CA -0.517 55.556 56.100 -0.046 0.000 0.898 52 R CB 0.889 31.044 30.300 -0.241 0.000 1.253 52 R HN -0.042 nan 8.270 nan 0.000 0.461 53 S N -0.453 115.206 115.700 -0.068 0.000 2.744 53 S HA 0.186 4.656 4.470 0.000 0.000 0.265 53 S C -0.119 174.558 174.600 0.128 0.000 1.065 53 S CA -0.166 58.110 58.200 0.126 0.000 1.191 53 S CB 0.786 64.110 63.200 0.207 0.000 1.150 53 S HN 0.242 nan 8.310 nan 0.000 0.646 54 V N 2.985 122.791 119.914 -0.180 0.000 2.398 54 V HA 0.660 4.780 4.120 0.000 0.000 0.286 54 V C -1.204 174.620 176.094 -0.451 0.000 1.026 54 V CA -0.427 61.780 62.300 -0.155 0.000 0.868 54 V CB 0.800 32.533 31.823 -0.151 0.000 0.982 54 V HN 0.398 nan 8.190 nan 0.000 0.443 55 F N 1.638 121.518 119.950 -0.116 0.000 2.563 55 F HA 0.539 5.066 4.527 0.000 0.000 0.316 55 F C 0.113 175.833 175.800 -0.133 0.000 1.076 55 F CA -0.862 57.069 58.000 -0.115 0.000 0.921 55 F CB 2.078 41.019 39.000 -0.099 0.000 1.209 55 F HN 0.394 nan 8.300 nan 0.000 0.462 56 D N 2.418 122.848 120.400 0.050 0.000 2.471 56 D HA 0.382 5.022 4.640 0.000 0.000 0.245 56 D C -1.017 175.292 176.300 0.015 0.000 1.116 56 D CA -0.109 53.882 54.000 -0.015 0.000 0.853 56 D CB 2.547 43.315 40.800 -0.054 0.000 1.123 56 D HN 0.107 nan 8.370 nan 0.000 0.540 57 V N 2.179 122.075 119.914 -0.029 0.000 2.439 57 V HA 0.258 4.378 4.120 0.000 0.000 0.282 57 V C 0.602 176.668 176.094 -0.046 0.000 1.039 57 V CA -0.253 62.038 62.300 -0.015 0.000 0.913 57 V CB 1.741 33.530 31.823 -0.056 0.000 0.983 57 V HN 0.461 nan 8.190 nan 0.000 0.460 58 T N 7.216 121.766 114.554 -0.007 0.000 2.853 58 T HA 0.372 4.722 4.350 0.000 0.000 0.317 58 T C -2.130 172.586 174.700 0.025 0.000 1.059 58 T CA -0.773 61.322 62.100 -0.008 0.000 0.954 58 T CB 1.039 69.906 68.868 -0.002 0.000 0.994 58 T HN 0.570 nan 8.240 nan 0.000 0.479 59 P HA 0.459 nan 4.420 nan 0.000 0.275 59 P C -0.534 176.822 177.300 0.094 0.000 1.266 59 P CA -0.651 62.532 63.100 0.139 0.000 0.793 59 P CB 0.685 32.582 31.700 0.328 0.000 1.074 60 A N 0.997 123.862 122.820 0.074 0.000 2.371 60 A HA 0.172 4.492 4.320 0.000 0.000 0.257 60 A C 0.298 177.854 177.584 -0.047 0.000 1.089 60 A CA -0.488 51.544 52.037 -0.009 0.000 0.794 60 A CB -0.699 18.264 19.000 -0.061 0.000 1.029 60 A HN 0.588 nan 8.150 nan 0.000 0.488 61 N N 0.863 119.531 118.700 -0.053 0.000 3.083 61 N HA 0.397 5.137 4.740 0.000 0.000 0.260 61 N C -1.371 174.078 175.510 -0.102 0.000 1.163 61 N CA -0.174 52.845 53.050 -0.051 0.000 1.060 61 N CB 0.644 39.123 38.487 -0.014 0.000 1.345 61 N HN 0.346 nan 8.380 nan 0.000 0.515 62 V N 0.955 120.739 119.914 -0.218 0.000 2.483 62 V HA 0.559 4.679 4.120 0.000 0.000 0.297 62 V C 1.006 176.974 176.094 -0.210 0.000 1.027 62 V CA -0.642 61.501 62.300 -0.262 0.000 0.855 62 V CB 1.051 32.582 31.823 -0.486 0.000 0.995 62 V HN 0.733 nan 8.190 nan 0.000 0.424 63 G N 5.286 114.045 108.800 -0.067 0.000 2.602 63 G HA2 -0.276 3.684 3.960 0.000 0.000 0.306 63 G HA3 -0.276 3.684 3.960 0.000 0.000 0.306 63 G C -0.082 174.807 174.900 -0.018 0.000 1.301 63 G CA 0.504 45.589 45.100 -0.026 0.000 0.974 63 G HN 0.786 nan 8.290 nan 0.000 0.547 64 I N 0.763 121.345 120.570 0.019 0.000 2.304 64 I HA 0.369 4.539 4.170 0.000 0.000 0.291 64 I C 0.398 176.549 176.117 0.056 0.000 1.018 64 I CA -0.689 60.622 61.300 0.019 0.000 1.260 64 I CB 1.551 39.551 38.000 0.001 0.000 1.390 64 I HN 0.295 nan 8.210 nan 0.000 0.475 65 V N 7.611 127.532 119.914 0.012 0.000 2.461 65 V HA 0.150 4.270 4.120 0.000 0.000 0.275 65 V C 0.877 176.920 176.094 -0.084 0.000 1.047 65 V CA -0.220 62.055 62.300 -0.042 0.000 0.955 65 V CB 1.146 32.906 31.823 -0.105 0.000 0.988 65 V HN 0.747 nan 8.190 nan 0.000 0.471 66 K N 2.916 123.272 120.400 -0.074 0.000 2.276 66 K HA 0.471 4.791 4.320 0.000 0.000 0.198 66 K C 0.825 177.358 176.600 -0.112 0.000 1.052 66 K CA 0.718 57.004 56.287 -0.001 0.000 0.984 66 K CB 0.597 33.179 32.500 0.136 0.000 0.836 66 K HN 0.921 nan 8.250 nan 0.000 0.490 67 G N -0.175 108.344 108.800 -0.468 0.000 2.317 67 G HA2 0.360 4.320 3.960 0.000 0.000 0.293 67 G HA3 0.360 4.320 3.960 0.000 0.000 0.293 67 G C -1.958 172.094 174.900 -1.413 0.000 1.287 67 G CA -1.041 43.439 45.100 -1.033 0.000 0.850 67 G HN -0.013 nan 8.290 nan 0.000 0.515 68 F N -0.483 118.865 119.950 -1.004 0.000 2.547 68 F HA 0.658 5.185 4.527 0.000 0.000 0.316 68 F C -0.248 175.421 175.800 -0.218 0.000 1.121 68 F CA -0.808 56.953 58.000 -0.398 0.000 0.911 68 F CB 2.349 41.216 39.000 -0.222 0.000 1.179 68 F HN 0.421 nan 8.300 nan 0.000 0.443 69 L N 4.487 125.973 121.223 0.439 0.000 2.272 69 L HA 0.715 5.055 4.340 0.000 0.000 0.289 69 L C -1.045 176.166 176.870 0.568 0.000 1.032 69 L CA -0.503 54.731 54.840 0.658 0.000 0.810 69 L CB 1.103 43.583 42.059 0.702 0.000 1.205 69 L HN 0.401 nan 8.230 nan 0.000 0.422 70 V N 5.692 125.903 119.914 0.495 0.000 2.357 70 V HA 0.393 4.513 4.120 0.000 0.000 0.284 70 V C 0.062 176.334 176.094 0.296 0.000 1.018 70 V CA -0.802 61.726 62.300 0.380 0.000 0.841 70 V CB 1.152 33.135 31.823 0.266 0.000 0.991 70 V HN 0.718 nan 8.190 nan 0.000 0.437 71 K N 4.298 124.792 120.400 0.156 0.000 2.201 71 K HA 0.691 5.011 4.320 0.000 0.000 0.278 71 K C -1.336 175.244 176.600 -0.035 0.000 1.027 71 K CA -0.365 55.748 56.287 -0.290 0.000 0.909 71 K CB 1.534 33.899 32.500 -0.224 0.000 1.062 71 K HN 0.502 nan 8.250 nan 0.000 0.465 72 V N 3.509 123.381 119.914 -0.071 0.000 2.531 72 V HA 0.357 4.477 4.120 0.000 0.000 0.301 72 V C -0.295 175.812 176.094 0.021 0.000 1.034 72 V CA -0.841 61.520 62.300 0.102 0.000 0.865 72 V CB 1.626 33.636 31.823 0.312 0.000 0.995 72 V HN 1.013 nan 8.190 nan 0.000 0.424 73 T N 1.270 115.827 114.554 0.004 0.000 2.924 73 T HA 0.971 5.321 4.350 0.000 0.000 0.291 73 T C -0.488 174.216 174.700 0.006 0.000 1.045 73 T CA -0.471 61.635 62.100 0.010 0.000 1.015 73 T CB 2.343 71.208 68.868 -0.006 0.000 1.103 73 T HN 1.430 nan 8.240 nan 0.000 0.496 74 A N 0.482 123.342 122.820 0.068 0.000 2.612 74 A HA 0.908 5.228 4.320 0.000 0.000 0.293 74 A C -1.063 176.606 177.584 0.140 0.000 1.075 74 A CA -0.756 51.353 52.037 0.120 0.000 0.680 74 A CB 1.184 20.369 19.000 0.309 0.000 1.279 74 A HN 1.721 nan 8.150 nan 0.000 0.411 75 A N 1.118 124.027 122.820 0.149 0.000 2.330 75 A HA 0.773 5.093 4.320 0.000 0.000 0.313 75 A C -0.908 176.742 177.584 0.110 0.000 1.124 75 A CA -0.269 51.824 52.037 0.094 0.000 0.774 75 A CB 0.404 19.431 19.000 0.045 0.000 1.198 75 A HN 0.765 nan 8.150 nan 0.000 0.465 76 I N 1.949 122.530 120.570 0.018 0.000 2.436 76 I HA 0.374 4.544 4.170 0.000 0.000 0.289 76 I C -0.278 175.741 176.117 -0.162 0.000 1.010 76 I CA -0.244 60.994 61.300 -0.103 0.000 1.098 76 I CB 2.570 40.475 38.000 -0.159 0.000 1.266 76 I HN 0.560 nan 8.210 nan 0.000 0.434 77 T N 4.234 118.678 114.554 -0.184 0.000 2.797 77 T HA 0.241 4.591 4.350 0.000 0.000 0.279 77 T C -0.183 174.358 174.700 -0.265 0.000 0.991 77 T CA -0.559 61.433 62.100 -0.181 0.000 0.979 77 T CB 1.002 69.804 68.868 -0.110 0.000 0.943 77 T HN 0.410 nan 8.240 nan 0.000 0.444 78 N N 2.909 121.462 118.700 -0.245 0.000 2.500 78 N HA 0.139 4.879 4.740 0.000 0.000 0.236 78 N C 0.411 175.836 175.510 -0.142 0.000 1.022 78 N CA -0.454 52.448 53.050 -0.247 0.000 0.935 78 N CB 0.254 38.604 38.487 -0.228 0.000 1.147 78 N HN 0.395 nan 8.380 nan 0.000 0.512 79 N N 1.421 120.044 118.700 -0.130 0.000 2.461 79 N HA -0.085 4.655 4.740 0.000 0.000 0.188 79 N C -0.160 175.316 175.510 -0.057 0.000 1.134 79 N CA 0.085 53.084 53.050 -0.086 0.000 0.878 79 N CB -0.150 38.284 38.487 -0.089 0.000 0.972 79 N HN 0.647 nan 8.380 nan 0.000 0.456 80 H N 0.458 119.460 119.070 -0.114 0.000 2.897 80 H HA 0.159 4.715 4.556 0.000 0.000 0.347 80 H C 1.285 176.574 175.328 -0.065 0.000 1.068 80 H CA 0.326 56.323 56.048 -0.084 0.000 1.426 80 H CB 1.028 30.739 29.762 -0.085 0.000 1.410 80 H HN 0.102 nan 8.280 nan 0.000 0.597 81 A N 2.750 125.386 122.820 -0.306 0.000 1.930 81 A HA -0.139 4.181 4.320 0.000 0.000 0.217 81 A C 1.978 179.581 177.584 0.031 0.000 1.175 81 A CA 2.113 54.074 52.037 -0.127 0.000 0.627 81 A CB -0.474 18.415 19.000 -0.184 0.000 0.815 81 A HN 0.872 nan 8.150 nan 0.000 0.443 82 T N -4.823 109.873 114.554 0.238 0.000 3.010 82 T HA 0.194 4.544 4.350 0.000 0.000 0.253 82 T C 0.295 175.077 174.700 0.135 0.000 0.939 82 T CA -0.222 61.984 62.100 0.177 0.000 0.910 82 T CB 0.114 69.059 68.868 0.128 0.000 1.226 82 T HN 0.215 nan 8.240 nan 0.000 0.508 83 E N 1.683 121.963 120.200 0.134 0.000 2.242 83 E HA 0.731 5.081 4.350 0.000 0.000 0.275 83 E C -0.276 176.240 176.600 -0.139 0.000 1.002 83 E CA -0.462 55.847 56.400 -0.151 0.000 0.841 83 E CB 1.951 31.389 29.700 -0.437 0.000 1.109 83 E HN 0.528 nan 8.360 nan 0.000 0.394 84 A N 1.613 124.371 122.820 -0.103 0.000 2.239 84 A HA 0.686 5.006 4.320 0.000 0.000 0.303 84 A C -0.113 177.421 177.584 -0.083 0.000 1.114 84 A CA -0.544 51.445 52.037 -0.081 0.000 0.871 84 A CB 0.761 19.735 19.000 -0.043 0.000 1.201 84 A HN 0.399 nan 8.150 nan 0.000 0.506 85 V N -4.022 115.860 119.914 -0.054 0.000 3.078 85 V HA 0.943 5.063 4.120 0.000 0.000 0.311 85 V C -0.239 175.942 176.094 0.145 0.000 1.138 85 V CA -0.323 61.993 62.300 0.027 0.000 1.007 85 V CB 1.109 32.946 31.823 0.022 0.000 1.045 85 V HN 1.893 nan 8.190 nan 0.000 0.432 86 A N 2.602 125.562 122.820 0.233 0.000 2.413 86 A HA 0.861 5.181 4.320 0.000 0.000 0.307 86 A C -0.582 177.127 177.584 0.208 0.000 1.087 86 A CA -0.986 51.198 52.037 0.245 0.000 0.750 86 A CB 1.492 20.553 19.000 0.103 0.000 1.296 86 A HN 1.089 nan 8.150 nan 0.000 0.423 87 L N 1.828 123.063 121.223 0.020 0.000 2.514 87 L HA 0.164 4.504 4.340 0.000 0.000 0.280 87 L C 1.504 178.278 176.870 -0.160 0.000 1.223 87 L CA 0.074 54.722 54.840 -0.319 0.000 0.864 87 L CB 0.553 42.460 42.059 -0.253 0.000 1.118 87 L HN 1.004 nan 8.230 nan 0.000 0.494 88 T N -1.952 112.483 114.554 -0.200 0.000 2.770 88 T HA 0.079 4.429 4.350 0.000 0.000 0.281 88 T C 0.749 175.374 174.700 -0.125 0.000 0.981 88 T CA -0.759 61.243 62.100 -0.162 0.000 0.955 88 T CB 0.750 69.490 68.868 -0.214 0.000 1.060 88 T HN 0.506 nan 8.240 nan 0.000 0.531 89 D N -0.265 120.035 120.400 -0.166 0.000 2.178 89 D HA -0.004 4.636 4.640 0.000 0.000 0.201 89 D C 1.536 178.001 176.300 0.274 0.000 0.980 89 D CA 1.033 55.030 54.000 -0.005 0.000 0.842 89 D CB -0.225 40.524 40.800 -0.086 0.000 0.948 89 D HN 0.467 nan 8.370 nan 0.000 0.472 90 F N 0.184 120.077 119.950 -0.095 0.000 2.473 90 F HA 0.243 4.770 4.527 0.000 0.000 0.294 90 F C 2.188 177.946 175.800 -0.071 0.000 1.103 90 F CA 0.451 58.432 58.000 -0.032 0.000 1.442 90 F CB -0.943 38.014 39.000 -0.072 0.000 1.097 90 F HN -0.021 nan 8.300 nan 0.000 0.547 91 G N 2.625 111.457 108.800 0.053 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.120 173.760 174.900 -0.033 0.000 1.286 91 G CA 0.554 45.602 45.100 -0.087 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.022 nan 4.420 nan 0.000 0.225 92 P C 1.652 178.958 177.300 0.010 0.000 1.148 92 P CA 2.402 65.511 63.100 0.015 0.000 0.779 92 P CB -0.393 31.308 31.700 0.001 0.000 0.780 93 A N 0.091 122.874 122.820 -0.061 0.000 2.121 93 A HA -0.106 4.214 4.320 0.000 0.000 0.218 93 A C 1.861 179.569 177.584 0.207 0.000 1.154 93 A CA 1.055 53.045 52.037 -0.079 0.000 0.679 93 A CB -1.016 17.819 19.000 -0.275 0.000 0.795 93 A HN 0.128 nan 8.150 nan 0.000 0.458 94 N N -0.325 118.499 118.700 0.207 0.000 2.314 94 N HA 0.174 4.914 4.740 0.000 0.000 0.200 94 N C 1.098 176.746 175.510 0.230 0.000 1.135 94 N CA 0.092 53.287 53.050 0.242 0.000 0.835 94 N CB 0.043 38.660 38.487 0.216 0.000 0.989 94 N HN 0.479 nan 8.380 nan 0.000 0.478 95 L N -0.281 121.111 121.223 0.282 0.000 2.141 95 L HA -0.019 4.321 4.340 0.000 0.000 0.209 95 L C 0.352 177.399 176.870 0.296 0.000 1.094 95 L CA 0.827 55.863 54.840 0.327 0.000 0.763 95 L CB 0.173 42.447 42.059 0.359 0.000 0.908 95 L HN -0.112 nan 8.230 nan 0.000 0.437 96 V N 0.048 120.058 119.914 0.161 0.000 2.370 96 V HA 0.116 4.236 4.120 0.000 0.000 0.283 96 V C 0.560 176.549 176.094 -0.175 0.000 1.023 96 V CA -0.516 61.640 62.300 -0.241 0.000 0.857 96 V CB 1.654 33.020 31.823 -0.762 0.000 0.985 96 V HN 0.189 nan 8.190 nan 0.000 0.443 97 Q N 3.509 123.220 119.800 -0.149 0.000 2.089 97 Q HA 0.208 4.548 4.340 0.000 0.000 0.195 97 Q C 0.551 176.451 176.000 -0.166 0.000 0.963 97 Q CA 1.047 56.807 55.803 -0.072 0.000 0.834 97 Q CB 0.418 29.150 28.738 -0.009 0.000 0.906 97 Q HN 0.588 nan 8.270 nan 0.000 0.452 98 R N -0.559 119.795 120.500 -0.243 0.000 2.668 98 R HA 0.582 4.922 4.340 0.000 0.000 0.272 98 R C -1.430 174.676 176.300 -0.325 0.000 1.019 98 R CA -0.438 55.509 56.100 -0.256 0.000 0.894 98 R CB 2.496 32.699 30.300 -0.162 0.000 1.228 98 R HN -0.158 nan 8.270 nan 0.000 0.460 99 V N 3.622 123.349 119.914 -0.313 0.000 2.588 99 V HA 0.598 4.718 4.120 0.000 0.000 0.304 99 V C -0.863 175.093 176.094 -0.231 0.000 1.042 99 V CA -0.776 61.333 62.300 -0.317 0.000 0.877 99 V CB 1.946 33.547 31.823 -0.370 0.000 0.996 99 V HN 0.538 nan 8.190 nan 0.000 0.425 100 I N 4.651 125.103 120.570 -0.196 0.000 2.569 100 I HA 0.485 4.655 4.170 0.000 0.000 0.290 100 I C -1.140 174.873 176.117 -0.173 0.000 1.088 100 I CA -0.512 60.678 61.300 -0.184 0.000 1.047 100 I CB 2.004 39.928 38.000 -0.126 0.000 1.237 100 I HN 0.648 nan 8.210 nan 0.000 0.421 101 Y N 6.003 126.081 120.300 -0.370 0.000 2.429 101 Y HA 0.718 5.268 4.550 0.000 0.000 0.342 101 Y C -1.734 173.900 175.900 -0.442 0.000 1.004 101 Y CA -0.879 57.029 58.100 -0.319 0.000 1.075 101 Y CB 1.397 39.698 38.460 -0.265 0.000 1.214 101 Y HN 0.471 nan 8.280 nan 0.000 0.455 102 Y N 4.140 123.876 120.300 -0.941 0.000 2.391 102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 102 Y C -0.264 175.052 175.900 -0.973 0.000 0.965 102 Y CA -1.130 56.598 58.100 -0.621 0.000 1.067 102 Y CB 1.304 39.568 38.460 -0.326 0.000 1.199 102 Y HN 0.720 nan 8.280 nan 0.000 0.450 103 D N 2.469 122.690 120.400 -0.299 0.000 2.433 103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 103 D C -2.191 174.096 176.300 -0.022 0.000 1.226 103 D CA -2.194 51.738 54.000 -0.114 0.000 1.015 103 D CB 0.311 41.219 40.800 0.181 0.000 1.091 103 D HN 0.163 nan 8.370 nan 0.000 0.527 104 P HA -0.084 nan 4.420 nan 0.000 0.219 104 P C 0.121 177.439 177.300 0.031 0.000 1.146 104 P CA 1.103 64.219 63.100 0.025 0.000 0.808 104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 105 D N -1.891 118.545 120.400 0.061 0.000 2.328 105 D HA 0.019 4.659 4.640 0.000 0.000 0.226 105 D C 0.332 176.669 176.300 0.061 0.000 1.066 105 D CA 0.188 54.224 54.000 0.059 0.000 0.861 105 D CB -1.031 39.816 40.800 0.077 0.000 0.912 105 D HN 0.209 nan 8.370 nan 0.000 0.521 106 N N 0.366 119.102 118.700 0.060 0.000 2.782 106 N HA -0.245 4.495 4.740 0.000 0.000 0.251 106 N C -0.224 175.405 175.510 0.197 0.000 1.101 106 N CA 0.076 53.171 53.050 0.076 0.000 0.764 106 N CB -0.412 38.073 38.487 -0.004 0.000 1.122 106 N HN 0.135 nan 8.380 nan 0.000 0.561 107 Q N 1.611 121.530 119.800 0.197 0.000 2.261 107 Q HA 0.268 4.608 4.340 0.000 0.000 0.252 107 Q C -0.241 175.891 176.000 0.220 0.000 0.915 107 Q CA -0.280 55.639 55.803 0.194 0.000 0.915 107 Q CB 0.903 29.724 28.738 0.138 0.000 1.204 107 Q HN 0.260 nan 8.270 nan 0.000 0.421 108 R N 3.726 124.280 120.500 0.089 0.000 2.438 108 R HA 0.193 4.533 4.340 0.000 0.000 0.287 108 R C -0.106 176.168 176.300 -0.044 0.000 1.077 108 R CA 0.062 56.041 56.100 -0.201 0.000 1.034 108 R CB 0.415 30.556 30.300 -0.264 0.000 0.993 108 R HN 0.876 nan 8.270 nan 0.000 0.459 109 H N 1.036 120.021 119.070 -0.140 0.000 4.873 109 H HA 0.148 4.704 4.556 0.000 0.000 0.150 109 H C 0.038 175.262 175.328 -0.173 0.000 1.395 109 H CA -0.458 55.548 56.048 -0.071 0.000 0.838 109 H CB 0.133 29.939 29.762 0.073 0.000 1.471 109 H HN 0.442 nan 8.280 nan 0.000 0.374 110 T N 1.791 116.322 114.554 -0.039 0.000 2.928 110 T HA 0.011 4.361 4.350 0.000 0.000 0.305 110 T C 0.250 174.858 174.700 -0.154 0.000 1.035 110 T CA 0.604 62.604 62.100 -0.167 0.000 1.145 110 T CB 0.244 68.974 68.868 -0.229 0.000 0.963 110 T HN 0.368 nan 8.240 nan 0.000 0.545 111 E N 2.394 122.514 120.200 -0.135 0.000 2.649 111 E HA 0.335 4.685 4.350 0.000 0.000 0.310 111 E C -0.997 175.548 176.600 -0.092 0.000 1.036 111 E CA -0.328 56.000 56.400 -0.120 0.000 0.772 111 E CB 1.099 30.747 29.700 -0.085 0.000 1.513 111 E HN 0.665 nan 8.360 nan 0.000 0.384 112 T N 0.467 114.936 114.554 -0.143 0.000 2.671 112 T HA 0.407 4.757 4.350 0.000 0.000 0.300 112 T C -0.894 173.649 174.700 -0.263 0.000 1.238 112 T CA -0.171 61.837 62.100 -0.152 0.000 1.020 112 T CB 1.212 70.052 68.868 -0.046 0.000 1.503 112 T HN 0.356 nan 8.240 nan 0.000 0.497 113 S N -0.065 115.393 115.700 -0.403 0.000 2.610 113 S HA 0.494 4.964 4.470 0.000 0.000 0.273 113 S C 1.604 175.894 174.600 -0.516 0.000 1.274 113 S CA 0.015 57.893 58.200 -0.537 0.000 1.023 113 S CB 0.928 63.514 63.200 -1.023 0.000 0.962 113 S HN 1.063 nan 8.310 nan 0.000 0.523 114 G N 1.298 109.870 108.800 -0.381 0.000 2.418 114 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 114 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 114 G C 1.317 176.178 174.900 -0.065 0.000 1.158 114 G CA 0.777 45.708 45.100 -0.281 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.209 121.457 121.300 -0.088 0.000 2.363 115 W HA -0.054 4.606 4.660 0.000 0.000 0.296 115 W C 1.796 178.002 176.519 -0.522 0.000 1.212 115 W CA 0.876 57.976 57.345 -0.410 0.000 1.260 115 W CB -1.087 28.099 29.460 -0.456 0.000 1.131 115 W HN 0.425 nan 8.180 nan 0.000 0.530 116 H N 1.173 119.826 119.070 -0.695 0.000 2.326 116 H HA -0.178 4.378 4.556 0.000 0.000 0.301 116 H C 2.366 177.568 175.328 -0.209 0.000 1.081 116 H CA 1.767 57.557 56.048 -0.430 0.000 1.334 116 H CB -0.097 29.221 29.762 -0.740 0.000 1.385 116 H HN 0.105 nan 8.280 nan 0.000 0.504 117 L N 1.030 122.011 121.223 -0.404 0.000 2.042 117 L HA -0.207 4.133 4.340 0.000 0.000 0.210 117 L C 2.541 179.306 176.870 -0.175 0.000 1.076 117 L CA 2.426 57.067 54.840 -0.332 0.000 0.749 117 L CB -1.154 40.773 42.059 -0.220 0.000 0.893 117 L HN 0.370 nan 8.230 nan 0.000 0.432 118 H N -1.057 117.927 119.070 -0.144 0.000 2.353 118 H HA -0.184 4.372 4.556 0.000 0.000 0.300 118 H C 1.930 177.233 175.328 -0.042 0.000 1.090 118 H CA 2.229 58.190 56.048 -0.144 0.000 1.327 118 H CB -0.549 29.104 29.762 -0.182 0.000 1.383 118 H HN 0.468 nan 8.280 nan 0.000 0.508 119 F N -0.770 119.086 119.950 -0.157 0.000 2.216 119 F HA -0.156 4.371 4.527 0.000 0.000 0.300 119 F C 2.511 178.257 175.800 -0.089 0.000 1.085 119 F CA 0.540 58.498 58.000 -0.069 0.000 1.326 119 F CB -0.034 38.960 39.000 -0.011 0.000 1.027 119 F HN 0.083 nan 8.300 nan 0.000 0.497 120 V N 0.249 120.162 119.914 -0.001 0.000 2.453 120 V HA -0.283 3.837 4.120 0.000 0.000 0.247 120 V C 1.639 177.672 176.094 -0.101 0.000 1.048 120 V CA 1.953 64.232 62.300 -0.036 0.000 1.049 120 V CB -0.783 30.951 31.823 -0.149 0.000 0.672 120 V HN 0.378 nan 8.190 nan 0.000 0.457 121 N N -0.268 118.276 118.700 -0.260 0.000 2.104 121 N HA -0.184 4.556 4.740 0.000 0.000 0.190 121 N C 1.839 177.201 175.510 -0.247 0.000 1.024 121 N CA 1.790 54.556 53.050 -0.474 0.000 0.853 121 N CB -0.209 37.550 38.487 -1.214 0.000 1.008 121 N HN 0.411 nan 8.380 nan 0.000 0.424 122 T N 0.606 115.049 114.554 -0.185 0.000 2.708 122 T HA -0.103 4.247 4.350 0.000 0.000 0.266 122 T C 2.067 176.732 174.700 -0.059 0.000 1.037 122 T CA 1.221 63.288 62.100 -0.055 0.000 1.146 122 T CB -0.343 68.468 68.868 -0.096 0.000 0.865 122 T HN 0.333 nan 8.240 nan 0.000 0.435 123 A N 1.643 124.439 122.820 -0.041 0.000 1.908 123 A HA -0.158 4.162 4.320 0.000 0.000 0.218 123 A C 2.206 179.781 177.584 -0.016 0.000 1.181 123 A CA 1.697 53.676 52.037 -0.097 0.000 0.627 123 A CB -0.425 18.485 19.000 -0.151 0.000 0.818 123 A HN 0.478 nan 8.150 nan 0.000 0.445 124 K N -0.960 119.438 120.400 -0.004 0.000 2.296 124 K HA -0.084 4.236 4.320 0.000 0.000 0.200 124 K C 2.224 178.811 176.600 -0.021 0.000 1.048 124 K CA 1.134 57.412 56.287 -0.015 0.000 0.966 124 K CB -0.031 32.434 32.500 -0.057 0.000 0.754 124 K HN 0.695 nan 8.250 nan 0.000 0.466 125 Q N -0.042 119.762 119.800 0.007 0.000 2.212 125 Q HA -0.063 4.277 4.340 0.000 0.000 0.199 125 Q C 0.770 176.760 176.000 -0.016 0.000 0.950 125 Q CA 1.216 57.030 55.803 0.018 0.000 0.863 125 Q CB 0.377 29.178 28.738 0.104 0.000 0.944 125 Q HN 0.389 nan 8.270 nan 0.000 0.465 126 G N -0.522 108.261 108.800 -0.029 0.000 2.141 126 G HA2 -0.143 3.817 3.960 0.000 0.000 0.231 126 G HA3 -0.143 3.817 3.960 0.000 0.000 0.231 126 G C -0.059 174.799 174.900 -0.069 0.000 0.984 126 G CA 0.164 45.237 45.100 -0.044 0.000 0.660 126 G HN 0.833 nan 8.290 nan 0.000 0.525 127 A N -1.319 121.456 122.820 -0.074 0.000 2.567 127 A HA 0.785 5.105 4.320 0.000 0.000 0.291 127 A C -3.152 174.396 177.584 -0.061 0.000 1.048 127 A CA -0.692 51.293 52.037 -0.087 0.000 0.661 127 A CB 0.621 19.581 19.000 -0.066 0.000 1.288 127 A HN 0.170 nan 8.150 nan 0.000 0.424 128 P HA 0.124 nan 4.420 nan 0.000 0.258 128 P C -0.363 176.998 177.300 0.101 0.000 1.172 128 P CA 0.538 63.648 63.100 0.017 0.000 0.762 128 P CB -0.135 31.577 31.700 0.020 0.000 0.764 129 F N 5.807 125.752 119.950 -0.008 0.000 2.593 129 F HA -0.057 4.470 4.527 0.000 0.000 0.393 129 F C 1.141 176.960 175.800 0.031 0.000 1.037 129 F CA 0.342 58.349 58.000 0.012 0.000 1.195 129 F CB -0.462 38.566 39.000 0.047 0.000 1.034 129 F HN 0.271 nan 8.300 nan 0.000 0.552 130 L N 3.564 124.449 121.223 -0.564 0.000 3.839 130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 130 L C 0.612 177.337 176.870 -0.241 0.000 1.195 130 L CA 0.552 55.069 54.840 -0.537 0.000 0.946 130 L CB -2.382 39.203 42.059 -0.789 0.000 1.891 130 L HN 0.720 nan 8.230 nan 0.000 0.963 131 S N -1.864 113.757 115.700 -0.131 0.000 2.632 131 S HA 0.534 5.004 4.470 0.000 0.000 0.267 131 S C 0.300 174.853 174.600 -0.078 0.000 1.276 131 S CA -0.058 58.102 58.200 -0.067 0.000 0.998 131 S CB 2.197 65.382 63.200 -0.024 0.000 0.953 131 S HN 0.270 nan 8.310 nan 0.000 0.547 132 S N 1.870 117.540 115.700 -0.050 0.000 2.438 132 S HA 0.455 4.925 4.470 0.000 0.000 0.316 132 S C -0.052 174.528 174.600 -0.034 0.000 1.084 132 S CA -1.015 57.159 58.200 -0.043 0.000 1.107 132 S CB -0.384 62.801 63.200 -0.024 0.000 0.981 132 S HN 0.783 nan 8.310 nan 0.000 0.466 133 M N 4.301 123.874 119.600 -0.046 0.000 2.242 133 M HA 0.562 5.042 4.480 0.000 0.000 0.344 133 M C -0.905 175.377 176.300 -0.030 0.000 1.140 133 M CA -0.443 54.831 55.300 -0.042 0.000 1.160 133 M CB 0.608 33.173 32.600 -0.058 0.000 1.491 133 M HN 0.248 nan 8.290 nan 0.000 0.459 134 V N 2.858 122.759 119.914 -0.022 0.000 2.439 134 V HA 0.584 4.704 4.120 0.000 0.000 0.282 134 V C 0.496 176.580 176.094 -0.017 0.000 1.039 134 V CA -0.136 62.157 62.300 -0.010 0.000 0.913 134 V CB 1.129 32.949 31.823 -0.004 0.000 0.983 134 V HN 1.111 nan 8.190 nan 0.000 0.460 135 T N -0.222 114.326 114.554 -0.010 0.000 2.804 135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 135 T C 0.267 174.969 174.700 0.004 0.000 1.099 135 T CA -0.247 61.844 62.100 -0.015 0.000 1.011 135 T CB 1.892 70.736 68.868 -0.039 0.000 1.291 135 T HN 0.621 nan 8.240 nan 0.000 0.523 136 D N -0.159 120.242 120.400 0.002 0.000 2.328 136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 136 D C 0.639 176.954 176.300 0.026 0.000 1.066 136 D CA -0.193 53.814 54.000 0.011 0.000 0.861 136 D CB -0.346 40.457 40.800 0.005 0.000 0.912 136 D HN 0.385 nan 8.370 nan 0.000 0.521 137 S N 1.813 117.537 115.700 0.041 0.000 2.525 137 S HA 0.090 4.560 4.470 0.000 0.000 0.285 137 S C -1.044 173.609 174.600 0.088 0.000 1.283 137 S CA -0.929 57.320 58.200 0.082 0.000 1.072 137 S CB 1.014 64.307 63.200 0.156 0.000 0.867 137 S HN 0.099 nan 8.310 nan 0.000 0.492 138 P HA 0.071 nan 4.420 nan 0.000 0.225 138 P C 0.137 177.455 177.300 0.029 0.000 1.156 138 P CA 0.310 63.434 63.100 0.039 0.000 0.787 138 P CB -0.031 31.684 31.700 0.025 0.000 0.802 139 I N 1.117 121.718 120.570 0.052 0.000 2.648 139 I HA -0.023 4.147 4.170 0.000 0.000 0.284 139 I C 1.360 177.424 176.117 -0.087 0.000 1.153 139 I CA 0.293 61.566 61.300 -0.045 0.000 1.426 139 I CB 0.191 38.159 38.000 -0.052 0.000 1.381 139 I HN -0.271 nan 8.210 nan 0.000 0.571 140 K N 6.519 126.812 120.400 -0.179 0.000 3.233 140 K HA 0.078 4.398 4.320 0.000 0.000 0.283 140 K C -0.723 175.783 176.600 -0.157 0.000 1.209 140 K CA 0.005 56.215 56.287 -0.129 0.000 1.197 140 K CB -0.545 31.898 32.500 -0.096 0.000 1.431 140 K HN 0.385 nan 8.250 nan 0.000 0.326 141 Y N 0.351 120.639 120.300 -0.020 0.000 2.281 141 Y HA 0.318 4.868 4.550 0.000 0.000 0.337 141 Y C 1.543 177.429 175.900 -0.023 0.000 1.304 141 Y CA 0.540 58.625 58.100 -0.025 0.000 1.465 141 Y CB 0.936 39.380 38.460 -0.028 0.000 1.350 141 Y HN 0.428 nan 8.280 nan 0.000 0.575 142 G N 0.160 109.054 108.800 0.156 0.000 2.302 142 G HA2 -0.052 3.908 3.960 0.000 0.000 0.264 142 G HA3 -0.052 3.908 3.960 0.000 0.000 0.264 142 G C -1.776 173.147 174.900 0.039 0.000 1.335 142 G CA -0.828 44.317 45.100 0.074 0.000 0.982 142 G HN 0.531 nan 8.290 nan 0.000 0.473 143 D N 0.573 120.986 120.400 0.023 0.000 2.517 143 D HA 0.454 5.094 4.640 0.000 0.000 0.220 143 D C 1.383 177.690 176.300 0.011 0.000 1.158 143 D CA 0.085 54.092 54.000 0.012 0.000 0.992 143 D CB 0.713 41.521 40.800 0.012 0.000 1.058 143 D HN 0.250 nan 8.370 nan 0.000 0.516 144 V N 2.839 122.758 119.914 0.008 0.000 2.685 144 V HA -0.028 4.092 4.120 0.000 0.000 0.244 144 V C 1.857 177.953 176.094 0.003 0.000 1.054 144 V CA 0.789 63.090 62.300 0.002 0.000 1.076 144 V CB -0.127 31.693 31.823 -0.005 0.000 0.725 144 V HN 0.558 nan 8.190 nan 0.000 0.467 145 M N -0.466 119.135 119.600 0.001 0.000 2.371 145 M HA 0.293 4.773 4.480 0.000 0.000 0.246 145 M C 0.362 176.675 176.300 0.022 0.000 1.103 145 M CA 0.070 55.374 55.300 0.006 0.000 1.010 145 M CB -0.591 32.004 32.600 -0.009 0.000 1.457 145 M HN 0.378 nan 8.290 nan 0.000 0.486 146 N N 1.197 119.909 118.700 0.020 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.029 176.577 175.510 0.063 0.000 0.993 146 N CA 0.274 53.347 53.050 0.037 0.000 0.759 146 N CB -1.223 37.291 38.487 0.045 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.225 119.710 119.914 0.034 0.000 2.287 147 V HA -0.112 4.008 4.120 0.000 0.000 0.248 147 V C 1.409 177.605 176.094 0.170 0.000 1.053 147 V CA 1.561 63.894 62.300 0.055 0.000 1.027 147 V CB 0.015 31.752 31.823 -0.143 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 I N 0.489 121.110 120.570 0.085 0.000 2.410 148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 148 I C -1.130 175.023 176.117 0.061 0.000 1.009 148 I CA -0.300 61.059 61.300 0.098 0.000 1.111 148 I CB 1.729 39.770 38.000 0.067 0.000 1.262 148 I HN 0.230 nan 8.210 nan 0.000 0.443 149 D N 5.484 125.924 120.400 0.068 0.000 2.736 149 D HA 0.801 5.441 4.640 0.000 0.000 0.223 149 D C -1.592 174.752 176.300 0.073 0.000 1.231 149 D CA -0.320 53.717 54.000 0.062 0.000 0.818 149 D CB 2.321 43.160 40.800 0.065 0.000 1.587 149 D HN 0.675 nan 8.370 nan 0.000 0.463 150 A N 2.569 125.435 122.820 0.077 0.000 2.532 150 A HA 0.625 4.945 4.320 0.000 0.000 0.296 150 A C -2.821 174.841 177.584 0.131 0.000 1.058 150 A CA -1.151 50.955 52.037 0.116 0.000 0.729 150 A CB 1.400 20.451 19.000 0.086 0.000 1.285 150 A HN 0.433 nan 8.150 nan 0.000 0.396 151 P HA 0.312 nan 4.420 nan 0.000 0.268 151 P C 0.976 178.403 177.300 0.212 0.000 1.204 151 P CA 0.447 63.642 63.100 0.158 0.000 0.768 151 P CB 1.322 33.096 31.700 0.123 0.000 0.842 152 A N 3.508 126.409 122.820 0.136 0.000 1.978 152 A HA -0.026 4.294 4.320 0.000 0.000 0.220 152 A C 1.101 178.801 177.584 0.192 0.000 1.170 152 A CA 1.868 53.979 52.037 0.123 0.000 0.636 152 A CB -0.922 18.122 19.000 0.073 0.000 0.810 152 A HN 0.736 nan 8.150 nan 0.000 0.448 153 T N -3.717 110.944 114.554 0.179 0.000 2.883 153 T HA 0.679 5.029 4.350 0.000 0.000 0.301 153 T C -0.862 173.865 174.700 0.045 0.000 1.158 153 T CA -0.626 61.564 62.100 0.150 0.000 1.007 153 T CB 1.514 70.424 68.868 0.069 0.000 1.186 153 T HN 0.177 nan 8.240 nan 0.000 0.499 154 I N 1.698 122.220 120.570 -0.080 0.000 2.439 154 I HA 0.576 4.746 4.170 0.000 0.000 0.283 154 I C 0.662 176.701 176.117 -0.130 0.000 1.023 154 I CA -1.143 60.049 61.300 -0.179 0.000 1.100 154 I CB 1.465 39.218 38.000 -0.410 0.000 1.238 154 I HN 1.030 nan 8.210 nan 0.000 0.445 155 A N 4.660 127.430 122.820 -0.082 0.000 2.327 155 A HA 0.700 5.020 4.320 0.000 0.000 0.255 155 A C 0.625 178.169 177.584 -0.066 0.000 1.099 155 A CA -0.245 51.757 52.037 -0.059 0.000 0.801 155 A CB 0.394 19.373 19.000 -0.035 0.000 1.062 155 A HN 0.836 nan 8.150 nan 0.000 0.496 156 A N -0.360 122.438 122.820 -0.037 0.000 2.548 156 A HA 0.467 4.787 4.320 0.000 0.000 0.247 156 A C 1.598 179.164 177.584 -0.030 0.000 1.067 156 A CA 0.855 52.884 52.037 -0.014 0.000 0.757 156 A CB -1.089 17.928 19.000 0.029 0.000 0.996 156 A HN 2.735 nan 8.150 nan 0.000 0.504 157 G N 0.900 109.673 108.800 -0.044 0.000 2.199 157 G HA2 0.123 4.083 3.960 0.000 0.000 0.254 157 G HA3 0.123 4.083 3.960 0.000 0.000 0.254 157 G C 0.581 175.446 174.900 -0.058 0.000 0.982 157 G CA 0.588 45.658 45.100 -0.049 0.000 0.632 157 G HN 2.158 nan 8.290 nan 0.000 0.529 158 A N -0.489 122.289 122.820 -0.071 0.000 2.264 158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 158 A C 0.276 177.803 177.584 -0.096 0.000 1.100 158 A CA 0.705 52.699 52.037 -0.072 0.000 0.839 158 A CB 1.027 19.986 19.000 -0.067 0.000 1.121 158 A HN 0.716 nan 8.150 nan 0.000 0.496 159 T N 0.510 115.019 114.554 -0.076 0.000 2.812 159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 159 T C 0.167 174.829 174.700 -0.063 0.000 0.990 159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 159 T CB 1.556 70.394 68.868 -0.049 0.000 0.948 159 T HN 1.043 nan 8.240 nan 0.000 0.438 160 G N 1.848 110.602 108.800 -0.077 0.000 2.420 160 G HA2 0.647 4.607 3.960 0.000 0.000 0.331 160 G HA3 0.647 4.607 3.960 0.000 0.000 0.331 160 G C -0.950 173.964 174.900 0.023 0.000 1.168 160 G CA -0.603 44.480 45.100 -0.029 0.000 0.936 160 G HN 0.489 nan 8.290 nan 0.000 0.479 161 E N 0.956 121.186 120.200 0.051 0.000 2.171 161 E HA 0.446 4.796 4.350 0.000 0.000 0.271 161 E C -0.386 176.274 176.600 0.099 0.000 0.916 161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 161 E CB 2.375 32.104 29.700 0.048 0.000 1.128 161 E HN 0.312 nan 8.360 nan 0.000 0.403 162 L N 1.011 122.305 121.223 0.118 0.000 2.341 162 L HA 0.666 5.006 4.340 0.000 0.000 0.267 162 L C -0.063 176.867 176.870 0.099 0.000 1.009 162 L CA -0.886 54.031 54.840 0.128 0.000 0.819 162 L CB 2.063 44.230 42.059 0.180 0.000 1.323 162 L HN 0.315 nan 8.230 nan 0.000 0.425 163 T N 2.206 116.814 114.554 0.089 0.000 2.921 163 T HA 0.671 5.021 4.350 0.000 0.000 0.297 163 T C -0.829 173.910 174.700 0.066 0.000 1.013 163 T CA -0.425 61.718 62.100 0.071 0.000 0.990 163 T CB 2.230 71.161 68.868 0.106 0.000 1.023 163 T HN 0.495 nan 8.240 nan 0.000 0.447 164 M N 3.048 122.651 119.600 0.005 0.000 2.484 164 M HA 0.690 5.170 4.480 0.000 0.000 0.289 164 M C -2.388 173.845 176.300 -0.112 0.000 1.206 164 M CA -0.736 54.543 55.300 -0.035 0.000 0.892 164 M CB 1.749 34.301 32.600 -0.080 0.000 1.712 164 M HN 0.629 nan 8.290 nan 0.000 0.462 165 Y N 2.564 122.818 120.300 -0.076 0.000 2.477 165 Y HA 0.693 5.243 4.550 0.000 0.000 0.347 165 Y C -1.574 174.358 175.900 0.054 0.000 0.981 165 Y CA -0.349 57.816 58.100 0.109 0.000 1.033 165 Y CB 2.083 40.663 38.460 0.199 0.000 1.245 165 Y HN 0.619 nan 8.280 nan 0.000 0.455 166 Y N 1.332 121.918 120.300 0.477 0.000 2.477 166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 166 Y C -0.944 175.180 175.900 0.373 0.000 0.981 166 Y CA -1.505 56.779 58.100 0.308 0.000 1.033 166 Y CB 1.960 40.478 38.460 0.098 0.000 1.245 166 Y HN 0.644 nan 8.280 nan 0.000 0.455 167 W N 5.182 126.581 121.300 0.164 0.000 2.329 167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 167 W C -1.834 174.711 176.519 0.044 0.000 1.054 167 W CA -1.002 56.426 57.345 0.138 0.000 1.245 167 W CB 1.401 30.906 29.460 0.075 0.000 1.255 167 W HN 0.302 nan 8.180 nan 0.000 0.436 168 V N 9.452 129.069 119.914 -0.494 0.000 2.334 168 V HA 0.181 4.301 4.120 0.000 0.000 0.267 168 V C -1.592 174.009 176.094 -0.822 0.000 1.040 168 V CA -1.579 60.441 62.300 -0.467 0.000 0.866 168 V CB 0.905 32.575 31.823 -0.255 0.000 1.019 168 V HN 0.365 nan 8.190 nan 0.000 0.468 169 P HA 0.371 nan 4.420 nan 0.000 0.282 169 P C 0.069 177.244 177.300 -0.207 0.000 1.249 169 P CA -0.274 62.638 63.100 -0.313 0.000 0.806 169 P CB 2.441 34.260 31.700 0.197 0.000 0.984 170 L N 1.474 122.630 121.223 -0.111 0.000 2.675 170 L HA 0.317 4.657 4.340 0.000 0.000 0.178 170 L C 1.386 178.393 176.870 0.228 0.000 1.135 170 L CA 0.119 54.917 54.840 -0.069 0.000 0.855 170 L CB -0.834 41.065 42.059 -0.267 0.000 1.235 170 L HN 0.325 nan 8.230 nan 0.000 0.499 171 A N -0.933 122.000 122.820 0.188 0.000 2.407 171 A HA -0.010 4.310 4.320 0.000 0.000 0.248 171 A C 0.543 178.319 177.584 0.319 0.000 1.082 171 A CA -0.002 52.172 52.037 0.228 0.000 0.785 171 A CB -0.012 19.079 19.000 0.153 0.000 1.020 171 A HN 0.360 nan 8.150 nan 0.000 0.489 172 Y N 2.217 122.539 120.300 0.036 0.000 2.181 172 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 172 Y C 1.227 177.113 175.900 -0.024 0.000 1.146 172 Y CA 1.734 59.683 58.100 -0.252 0.000 1.164 172 Y CB 0.015 38.332 38.460 -0.239 0.000 0.982 172 Y HN 0.874 nan 8.280 nan 0.000 0.515 173 S N -2.467 113.230 115.700 -0.004 0.000 2.727 173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 173 S C 0.307 174.909 174.600 0.004 0.000 1.186 173 S CA -0.647 57.505 58.200 -0.081 0.000 0.836 173 S CB 1.097 64.223 63.200 -0.123 0.000 1.186 173 S HN 0.077 nan 8.310 nan 0.000 0.499 174 E N 1.108 121.282 120.200 -0.045 0.000 2.274 174 E HA -0.005 4.345 4.350 0.000 0.000 0.194 174 E C 1.680 178.273 176.600 -0.012 0.000 0.996 174 E CA 1.822 58.200 56.400 -0.037 0.000 0.840 174 E CB -0.322 29.327 29.700 -0.085 0.000 0.772 174 E HN 0.849 nan 8.360 nan 0.000 0.491 175 T N -2.478 112.077 114.554 0.002 0.000 2.985 175 T HA 0.058 4.408 4.350 0.000 0.000 0.254 175 T C 0.422 175.142 174.700 0.034 0.000 1.021 175 T CA -0.313 61.794 62.100 0.013 0.000 0.957 175 T CB 0.434 69.307 68.868 0.008 0.000 1.047 175 T HN -0.209 nan 8.240 nan 0.000 0.511 176 D N 1.223 121.665 120.400 0.071 0.000 2.461 176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 176 D C 0.676 177.024 176.300 0.080 0.000 1.094 176 D CA -0.679 53.373 54.000 0.087 0.000 0.868 176 D CB 0.946 41.861 40.800 0.192 0.000 1.062 176 D HN 0.213 nan 8.370 nan 0.000 0.530 177 L N 2.436 123.677 121.223 0.030 0.000 2.627 177 L HA 0.070 4.410 4.340 0.000 0.000 0.233 177 L C 0.780 177.652 176.870 0.004 0.000 1.144 177 L CA 0.215 55.072 54.840 0.029 0.000 0.892 177 L CB -0.408 41.658 42.059 0.012 0.000 1.039 177 L HN 0.257 nan 8.230 nan 0.000 0.442 178 T N 0.789 115.309 114.554 -0.057 0.000 2.871 178 T HA 0.225 4.575 4.350 0.000 0.000 0.296 178 T C 1.248 175.929 174.700 -0.031 0.000 0.998 178 T CA 1.085 63.070 62.100 -0.193 0.000 1.162 178 T CB 0.866 69.392 68.868 -0.570 0.000 0.947 178 T HN 0.639 nan 8.240 nan 0.000 0.536 179 G N 2.127 110.940 108.800 0.021 0.000 2.234 179 G HA2 -0.098 3.862 3.960 0.000 0.000 0.235 179 G HA3 -0.098 3.862 3.960 0.000 0.000 0.235 179 G C 0.390 175.402 174.900 0.187 0.000 0.997 179 G CA -0.019 45.201 45.100 0.200 0.000 0.623 179 G HN 1.161 nan 8.290 nan 0.000 0.514 180 A N -0.408 122.477 122.820 0.109 0.000 2.429 180 A HA 0.612 4.932 4.320 0.000 0.000 0.242 180 A C 0.394 178.020 177.584 0.070 0.000 1.088 180 A CA 0.917 52.993 52.037 0.065 0.000 0.784 180 A CB 0.784 19.810 19.000 0.044 0.000 1.038 180 A HN 1.231 nan 8.150 nan 0.000 0.501 181 V N 1.895 121.828 119.914 0.032 0.000 2.487 181 V HA 0.301 4.421 4.120 0.000 0.000 0.298 181 V C -0.555 175.567 176.094 0.046 0.000 1.028 181 V CA -0.514 61.822 62.300 0.060 0.000 0.860 181 V CB 1.426 33.282 31.823 0.055 0.000 0.991 181 V HN 0.781 nan 8.190 nan 0.000 0.427 182 L N 5.449 126.705 121.223 0.054 0.000 2.295 182 L HA 0.663 5.003 4.340 0.000 0.000 0.288 182 L C 0.576 177.473 176.870 0.045 0.000 1.079 182 L CA 0.177 55.038 54.840 0.034 0.000 0.830 182 L CB 0.682 42.763 42.059 0.036 0.000 1.200 182 L HN 0.743 nan 8.230 nan 0.000 0.438 183 A N 4.827 127.663 122.820 0.028 0.000 2.937 183 A HA 0.417 4.737 4.320 0.000 0.000 0.338 183 A C 0.342 177.933 177.584 0.012 0.000 1.273 183 A CA -0.435 51.619 52.037 0.029 0.000 0.937 183 A CB -0.580 18.438 19.000 0.030 0.000 1.133 183 A HN 0.805 nan 8.150 nan 0.000 0.491 184 N N 0.489 119.208 118.700 0.032 0.000 2.193 184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 184 N C -0.342 175.194 175.510 0.043 0.000 1.215 184 N CA 0.136 53.212 53.050 0.042 0.000 0.901 184 N CB -0.008 38.526 38.487 0.079 0.000 1.060 184 N HN 0.152 nan 8.380 nan 0.000 0.508 185 V N 3.206 123.143 119.914 0.038 0.000 2.400 185 V HA 0.185 4.305 4.120 0.000 0.000 0.263 185 V C -2.142 173.965 176.094 0.022 0.000 1.026 185 V CA -0.815 61.504 62.300 0.032 0.000 1.077 185 V CB -0.326 31.516 31.823 0.031 0.000 1.054 185 V HN 0.073 nan 8.190 nan 0.000 0.477 186 P HA 0.405 nan 4.420 nan 0.000 0.271 186 P C 0.588 177.894 177.300 0.009 0.000 1.220 186 P CA 1.189 64.297 63.100 0.013 0.000 0.768 186 P CB 0.715 32.423 31.700 0.014 0.000 0.848 187 Q N -0.221 119.581 119.800 0.004 0.000 2.376 187 Q HA -0.194 4.146 4.340 0.000 0.000 0.187 187 Q C 0.557 176.554 176.000 -0.004 0.000 0.603 187 Q CA 1.493 57.295 55.803 -0.001 0.000 1.346 187 Q CB -2.875 25.863 28.738 -0.000 0.000 1.243 187 Q HN 0.780 nan 8.270 nan 0.000 0.930 188 S N 0.971 116.670 115.700 -0.000 0.000 2.516 188 S HA 0.600 5.070 4.470 0.000 0.000 0.268 188 S C 0.079 174.676 174.600 -0.005 0.000 1.251 188 S CA 0.058 58.256 58.200 -0.004 0.000 1.153 188 S CB 0.147 63.351 63.200 0.006 0.000 1.009 188 S HN 0.958 nan 8.310 nan 0.000 0.479 189 K N 1.517 121.906 120.400 -0.018 0.000 2.154 189 K HA 0.514 4.834 4.320 0.000 0.000 0.264 189 K C -0.172 176.404 176.600 -0.039 0.000 1.008 189 K CA -0.603 55.672 56.287 -0.020 0.000 0.937 189 K CB 0.708 33.192 32.500 -0.027 0.000 1.002 189 K HN 0.591 nan 8.250 nan 0.000 0.469 190 Q N 0.767 120.550 119.800 -0.028 0.000 2.237 190 Q HA 0.309 4.649 4.340 0.000 0.000 0.219 190 Q C -0.644 175.278 176.000 -0.131 0.000 0.999 190 Q CA -0.831 54.917 55.803 -0.092 0.000 0.959 190 Q CB 1.101 29.867 28.738 0.047 0.000 1.173 190 Q HN 0.569 nan 8.270 nan 0.000 0.527 191 R N 0.572 120.921 120.500 -0.252 0.000 2.522 191 R HA 0.420 4.760 4.340 0.000 0.000 0.283 191 R C -2.195 173.976 176.300 -0.216 0.000 1.074 191 R CA -0.646 55.352 56.100 -0.172 0.000 0.925 191 R CB 1.002 31.235 30.300 -0.112 0.000 1.205 191 R HN 0.504 nan 8.270 nan 0.000 0.436 192 L N 4.181 125.290 121.223 -0.190 0.000 2.318 192 L HA 0.486 4.826 4.340 0.000 0.000 0.277 192 L C -0.998 175.761 176.870 -0.186 0.000 1.008 192 L CA -0.196 54.507 54.840 -0.229 0.000 0.846 192 L CB 1.222 43.001 42.059 -0.467 0.000 1.220 192 L HN 0.591 nan 8.230 nan 0.000 0.423 193 K N 5.435 125.750 120.400 -0.141 0.000 2.183 193 K HA 0.620 4.940 4.320 0.000 0.000 0.274 193 K C -1.520 174.945 176.600 -0.225 0.000 1.009 193 K CA -0.499 55.709 56.287 -0.132 0.000 0.888 193 K CB 0.741 33.207 32.500 -0.056 0.000 1.078 193 K HN 0.690 nan 8.250 nan 0.000 0.459 194 L N 4.275 125.341 121.223 -0.262 0.000 2.349 194 L HA 0.371 4.711 4.340 0.000 0.000 0.278 194 L C -0.581 176.053 176.870 -0.394 0.000 0.996 194 L CA -0.602 53.951 54.840 -0.479 0.000 0.825 194 L CB 1.916 43.533 42.059 -0.737 0.000 1.243 194 L HN 0.618 nan 8.230 nan 0.000 0.412 195 E N 3.687 123.645 120.200 -0.403 0.000 2.073 195 E HA 0.370 4.720 4.350 0.000 0.000 0.269 195 E C -1.026 175.417 176.600 -0.261 0.000 0.917 195 E CA -0.445 55.830 56.400 -0.208 0.000 0.757 195 E CB 1.282 30.901 29.700 -0.135 0.000 1.111 195 E HN 0.264 nan 8.360 nan 0.000 0.410 196 F N 1.302 121.256 119.950 0.006 0.000 2.375 196 F HA 0.361 4.888 4.527 0.000 0.000 0.313 196 F C 1.177 177.002 175.800 0.042 0.000 1.176 196 F CA -0.637 57.390 58.000 0.044 0.000 1.142 196 F CB 0.575 39.682 39.000 0.178 0.000 1.275 196 F HN 0.380 nan 8.300 nan 0.000 0.544 197 A N 1.536 124.511 122.820 0.258 0.000 2.386 197 A HA 0.446 4.766 4.320 0.000 0.000 0.246 197 A C -0.311 177.339 177.584 0.109 0.000 1.089 197 A CA -0.147 51.993 52.037 0.173 0.000 0.790 197 A CB -0.079 19.059 19.000 0.231 0.000 1.042 197 A HN 0.894 nan 8.150 nan 0.000 0.497 198 N N -1.073 117.734 118.700 0.180 0.000 3.316 198 N HA 0.217 4.957 4.740 0.000 0.000 0.300 198 N C -0.204 175.535 175.510 0.381 0.000 1.567 198 N CA -0.731 52.451 53.050 0.220 0.000 0.821 198 N CB 0.260 38.855 38.487 0.181 0.000 1.748 198 N HN 0.295 nan 8.380 nan 0.000 0.603 199 N N -0.535 118.413 118.700 0.414 0.000 2.520 199 N HA -0.029 4.711 4.740 0.000 0.000 0.185 199 N C -0.061 175.631 175.510 0.304 0.000 1.068 199 N CA 0.666 53.986 53.050 0.449 0.000 0.911 199 N CB -0.524 38.216 38.487 0.421 0.000 0.961 199 N HN 0.564 nan 8.380 nan 0.000 0.446 200 N N -0.861 117.959 118.700 0.200 0.000 2.356 200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 200 N C 1.461 177.032 175.510 0.102 0.000 1.075 200 N CA 0.733 53.872 53.050 0.148 0.000 0.889 200 N CB 0.417 38.977 38.487 0.121 0.000 0.999 200 N HN 0.249 nan 8.380 nan 0.000 0.464 201 T N -3.112 111.486 114.554 0.072 0.000 3.000 201 T HA 0.316 4.666 4.350 0.000 0.000 0.248 201 T C 1.831 176.500 174.700 -0.051 0.000 1.034 201 T CA 0.111 62.236 62.100 0.041 0.000 1.060 201 T CB 0.098 69.010 68.868 0.073 0.000 0.983 201 T HN 0.035 nan 8.240 nan 0.000 0.482 202 A N 0.773 123.452 122.820 -0.233 0.000 2.119 202 A HA 0.431 4.751 4.320 0.000 0.000 0.216 202 A C 0.312 177.473 177.584 -0.705 0.000 1.152 202 A CA 0.112 51.804 52.037 -0.575 0.000 0.708 202 A CB -0.607 17.831 19.000 -0.935 0.000 0.805 202 A HN 0.602 nan 8.150 nan 0.000 0.460 203 F N -0.504 119.505 119.950 0.099 0.000 2.460 203 F HA 0.629 5.156 4.527 0.000 0.000 0.341 203 F C 0.268 176.102 175.800 0.056 0.000 1.130 203 F CA -0.793 57.249 58.000 0.069 0.000 0.962 203 F CB 1.657 40.677 39.000 0.034 0.000 1.171 203 F HN 0.066 nan 8.300 nan 0.000 0.436 204 A N 2.372 125.310 122.820 0.196 0.000 2.304 204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 204 A C -0.099 177.543 177.584 0.096 0.000 1.195 204 A CA -0.558 51.548 52.037 0.114 0.000 0.826 204 A CB 0.656 19.692 19.000 0.059 0.000 1.184 204 A HN 0.896 nan 8.150 nan 0.000 0.496 205 A N 1.767 124.631 122.820 0.073 0.000 2.346 205 A HA 0.527 4.847 4.320 0.000 0.000 0.252 205 A C 0.431 178.032 177.584 0.028 0.000 1.089 205 A CA -0.302 51.761 52.037 0.045 0.000 0.797 205 A CB -0.027 18.997 19.000 0.040 0.000 1.047 205 A HN 1.176 nan 8.150 nan 0.000 0.494 206 V N 1.055 120.976 119.914 0.011 0.000 2.694 206 V HA 0.370 4.490 4.120 0.000 0.000 0.306 206 V C 1.714 177.813 176.094 0.007 0.000 1.054 206 V CA 1.817 64.120 62.300 0.005 0.000 1.161 206 V CB 0.047 31.866 31.823 -0.007 0.000 0.916 206 V HN 1.965 nan 8.190 nan 0.000 0.490 207 G N 3.213 112.017 108.800 0.006 0.000 2.253 207 G HA2 -0.157 3.803 3.960 0.000 0.000 0.251 207 G HA3 -0.157 3.803 3.960 0.000 0.000 0.251 207 G C 0.448 175.352 174.900 0.007 0.000 0.998 207 G CA 0.329 45.430 45.100 0.002 0.000 0.621 207 G HN 1.516 nan 8.290 nan 0.000 0.524 208 A N -0.143 122.687 122.820 0.017 0.000 2.287 208 A HA 0.641 4.961 4.320 0.000 0.000 0.273 208 A C 0.527 178.127 177.584 0.027 0.000 1.091 208 A CA 0.186 52.236 52.037 0.023 0.000 0.817 208 A CB 0.349 19.370 19.000 0.035 0.000 1.069 208 A HN 0.551 nan 8.150 nan 0.000 0.492 209 N N 1.062 119.782 118.700 0.033 0.000 2.452 209 N HA 0.142 4.882 4.740 0.000 0.000 0.266 209 N C -1.688 173.844 175.510 0.037 0.000 1.175 209 N CA -1.451 51.632 53.050 0.056 0.000 0.945 209 N CB 1.008 39.529 38.487 0.058 0.000 1.063 209 N HN 0.342 nan 8.380 nan 0.000 0.472 210 P HA -0.026 nan 4.420 nan 0.000 0.255 210 P C 1.578 178.709 177.300 -0.281 0.000 1.248 210 P CA -0.100 62.932 63.100 -0.112 0.000 0.807 210 P CB 0.491 32.104 31.700 -0.145 0.000 1.150 211 L N 1.661 122.725 121.223 -0.265 0.000 2.011 211 L HA -0.211 4.129 4.340 0.000 0.000 0.225 211 L C 1.818 178.494 176.870 -0.323 0.000 1.084 211 L CA 2.233 56.796 54.840 -0.461 0.000 0.791 211 L CB -0.913 41.095 42.059 -0.085 0.000 0.898 211 L HN -0.088 nan 8.230 nan 0.000 0.440 212 E N -0.139 120.026 120.200 -0.060 0.000 2.474 212 E HA 0.275 4.625 4.350 0.000 0.000 0.195 212 E C 0.734 177.362 176.600 0.047 0.000 1.039 212 E CA 0.578 57.028 56.400 0.084 0.000 0.881 212 E CB -0.095 29.685 29.700 0.134 0.000 0.970 212 E HN 0.578 nan 8.360 nan 0.000 0.486 213 A N 0.874 123.673 122.820 -0.034 0.000 2.271 213 A HA 0.486 4.806 4.320 0.000 0.000 0.288 213 A C 1.119 178.672 177.584 -0.052 0.000 1.094 213 A CA -0.432 51.582 52.037 -0.039 0.000 0.828 213 A CB 0.506 19.489 19.000 -0.027 0.000 1.091 213 A HN 0.044 nan 8.150 nan 0.000 0.493 214 I N -1.524 119.010 120.570 -0.060 0.000 2.810 214 I HA 0.114 4.284 4.170 0.000 0.000 0.262 214 I C -0.347 175.589 176.117 -0.301 0.000 1.131 214 I CA 0.671 61.900 61.300 -0.118 0.000 1.453 214 I CB -0.013 37.978 38.000 -0.014 0.000 1.161 214 I HN 0.586 nan 8.210 nan 0.000 0.444 215 Y N 0.400 120.745 120.300 0.075 0.000 2.499 215 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 215 Y C -0.250 175.716 175.900 0.109 0.000 0.987 215 Y CA -0.720 57.449 58.100 0.116 0.000 1.044 215 Y CB 1.788 40.366 38.460 0.196 0.000 1.245 215 Y HN -0.058 nan 8.280 nan 0.000 0.461 216 Q N 1.517 121.441 119.800 0.207 0.000 2.359 216 Q HA 0.762 5.102 4.340 0.000 0.000 0.274 216 Q C -1.006 175.049 176.000 0.092 0.000 1.074 216 Q CA -0.631 55.245 55.803 0.122 0.000 0.810 216 Q CB 2.616 31.382 28.738 0.047 0.000 1.342 216 Q HN 0.963 nan 8.270 nan 0.000 0.427 217 G N 0.434 109.264 108.800 0.050 0.000 2.320 217 G HA2 0.372 4.332 3.960 0.000 0.000 0.297 217 G HA3 0.372 4.332 3.960 0.000 0.000 0.297 217 G C -0.374 174.495 174.900 -0.052 0.000 1.344 217 G CA -0.133 44.968 45.100 0.001 0.000 0.851 217 G HN 0.696 nan 8.290 nan 0.000 0.567 218 A N -0.883 121.876 122.820 -0.101 0.000 2.172 218 A HA 0.367 4.687 4.320 0.000 0.000 0.216 218 A C 2.157 179.521 177.584 -0.367 0.000 1.154 218 A CA 2.537 54.468 52.037 -0.177 0.000 0.701 218 A CB -0.373 18.527 19.000 -0.167 0.000 0.789 218 A HN 1.935 nan 8.150 nan 0.000 0.465 219 G N -1.713 106.876 108.800 -0.351 0.000 3.126 219 G HA2 0.338 4.298 3.960 0.000 0.000 0.224 219 G HA3 0.338 4.298 3.960 0.000 0.000 0.224 219 G C 1.304 176.103 174.900 -0.169 0.000 1.142 219 G CA 0.835 45.668 45.100 -0.445 0.000 0.759 219 G HN 0.581 nan 8.290 nan 0.000 0.550 220 A N 1.509 124.266 122.820 -0.105 0.000 1.927 220 A HA 0.064 4.384 4.320 0.000 0.000 0.220 220 A C 2.752 180.319 177.584 -0.029 0.000 1.185 220 A CA 2.329 54.344 52.037 -0.037 0.000 0.639 220 A CB -0.732 18.314 19.000 0.076 0.000 0.820 220 A HN 0.826 nan 8.150 nan 0.000 0.451 221 A N -0.741 122.093 122.820 0.024 0.000 2.024 221 A HA -0.145 4.175 4.320 0.000 0.000 0.220 221 A C 1.357 178.950 177.584 0.015 0.000 1.164 221 A CA 1.897 53.965 52.037 0.051 0.000 0.643 221 A CB -0.395 18.649 19.000 0.074 0.000 0.806 221 A HN 0.451 nan 8.150 nan 0.000 0.451 222 D N -1.471 118.929 120.400 -0.001 0.000 2.363 222 D HA 0.188 4.828 4.640 0.000 0.000 0.214 222 D C -0.158 176.024 176.300 -0.196 0.000 1.093 222 D CA -0.129 53.841 54.000 -0.050 0.000 0.837 222 D CB -0.208 40.599 40.800 0.011 0.000 0.948 222 D HN 0.311 nan 8.370 nan 0.000 0.507 223 C N 1.767 120.826 119.300 -0.400 0.000 2.539 223 C HA 0.557 5.017 4.460 0.000 0.000 0.392 223 C C 0.572 175.095 174.990 -0.778 0.000 1.269 223 C CA -0.544 57.988 59.018 -0.811 0.000 2.250 223 C CB 0.144 26.944 27.740 -1.567 0.000 2.584 223 C HN 0.384 nan 8.230 nan 0.000 0.589 224 E N 0.985 120.838 120.200 -0.578 0.000 2.390 224 E HA 0.485 4.835 4.350 0.000 0.000 0.280 224 E C -1.703 174.882 176.600 -0.025 0.000 0.992 224 E CA -0.663 55.664 56.400 -0.123 0.000 0.790 224 E CB 0.684 30.378 29.700 -0.011 0.000 1.248 224 E HN 0.425 nan 8.360 nan 0.000 0.447 225 F N 1.722 121.806 119.950 0.223 0.000 2.412 225 F HA 0.176 4.703 4.527 0.000 0.000 0.348 225 F C 1.615 177.442 175.800 0.044 0.000 1.102 225 F CA -0.181 57.907 58.000 0.146 0.000 1.196 225 F CB 1.196 40.266 39.000 0.117 0.000 1.144 225 F HN 0.541 nan 8.300 nan 0.000 0.541 226 E N 1.710 122.028 120.200 0.195 0.000 2.122 226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 226 E C 0.008 176.644 176.600 0.059 0.000 0.977 226 E CA 0.756 57.210 56.400 0.090 0.000 0.820 226 E CB 0.085 29.810 29.700 0.042 0.000 0.770 226 E HN 0.824 nan 8.360 nan 0.000 0.462 227 E N -0.968 119.259 120.200 0.046 0.000 2.403 227 E HA 0.510 4.860 4.350 0.000 0.000 0.280 227 E C -1.080 175.360 176.600 -0.266 0.000 1.101 227 E CA -0.538 55.776 56.400 -0.143 0.000 0.856 227 E CB 0.877 30.494 29.700 -0.137 0.000 1.303 227 E HN -0.130 nan 8.360 nan 0.000 0.441 228 I N 0.893 121.052 120.570 -0.685 0.000 2.686 228 I HA 0.498 4.668 4.170 0.000 0.000 0.295 228 I C -0.993 174.652 176.117 -0.787 0.000 1.114 228 I CA -0.845 59.980 61.300 -0.792 0.000 1.038 228 I CB 2.388 39.633 38.000 -1.259 0.000 1.238 228 I HN 0.531 nan 8.210 nan 0.000 0.420 229 S N 3.820 119.272 115.700 -0.413 0.000 2.536 229 S HA 0.722 5.192 4.470 0.000 0.000 0.287 229 S C -1.479 173.038 174.600 -0.138 0.000 1.101 229 S CA -0.601 57.425 58.200 -0.290 0.000 0.950 229 S CB 1.968 65.048 63.200 -0.200 0.000 1.056 229 S HN 0.524 nan 8.310 nan 0.000 0.481 230 Y N -1.064 119.140 120.300 -0.160 0.000 2.553 230 Y HA 0.865 5.415 4.550 0.000 0.000 0.347 230 Y C -0.909 174.958 175.900 -0.055 0.000 1.019 230 Y CA -0.874 57.188 58.100 -0.063 0.000 1.032 230 Y CB 1.181 39.658 38.460 0.030 0.000 1.284 230 Y HN 0.426 nan 8.280 nan 0.000 0.466 231 T N 2.930 117.596 114.554 0.188 0.000 2.928 231 T HA 0.501 4.851 4.350 0.000 0.000 0.296 231 T C -1.452 173.342 174.700 0.157 0.000 1.000 231 T CA -0.649 61.479 62.100 0.047 0.000 0.989 231 T CB 1.420 70.255 68.868 -0.054 0.000 1.005 231 T HN 0.623 nan 8.240 nan 0.000 0.442 232 V N 4.278 124.265 119.914 0.121 0.000 2.370 232 V HA 0.451 4.571 4.120 0.000 0.000 0.279 232 V C -1.055 175.080 176.094 0.068 0.000 1.029 232 V CA -0.724 61.683 62.300 0.177 0.000 0.870 232 V CB 0.587 32.517 31.823 0.179 0.000 0.984 232 V HN 0.809 nan 8.190 nan 0.000 0.451 233 Y N 3.158 123.638 120.300 0.300 0.000 2.341 233 Y HA 0.494 5.044 4.550 0.000 0.000 0.337 233 Y C 0.329 176.408 175.900 0.299 0.000 1.014 233 Y CA -0.302 57.965 58.100 0.278 0.000 1.111 233 Y CB 1.688 40.307 38.460 0.266 0.000 1.194 233 Y HN 0.565 nan 8.280 nan 0.000 0.462 234 Q N 2.247 122.285 119.800 0.397 0.000 2.290 234 Q HA 0.443 4.783 4.340 0.000 0.000 0.259 234 Q C -0.924 175.204 176.000 0.214 0.000 0.941 234 Q CA -0.575 55.342 55.803 0.191 0.000 0.912 234 Q CB 1.359 30.238 28.738 0.236 0.000 1.244 234 Q HN 0.655 nan 8.270 nan 0.000 0.441 235 S N 4.213 119.947 115.700 0.056 0.000 2.437 235 S HA 0.646 5.116 4.470 0.000 0.000 0.305 235 S C -1.377 173.300 174.600 0.128 0.000 1.109 235 S CA -0.348 57.930 58.200 0.130 0.000 1.099 235 S CB 0.267 63.656 63.200 0.315 0.000 1.004 235 S HN 0.573 nan 8.310 nan 0.000 0.475 236 Y N 1.966 122.256 120.300 -0.015 0.000 2.705 236 Y HA 0.704 5.254 4.550 0.000 0.000 0.332 236 Y C -1.878 174.014 175.900 -0.014 0.000 1.221 236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 236 Y CB 0.862 39.296 38.460 -0.043 0.000 1.298 236 Y HN 0.413 nan 8.280 nan 0.000 0.459 237 L N 2.424 123.743 121.223 0.160 0.000 2.313 237 L HA 0.468 4.808 4.340 0.000 0.000 0.283 237 L C -0.914 176.048 176.870 0.153 0.000 1.013 237 L CA -0.541 54.330 54.840 0.051 0.000 0.816 237 L CB 1.390 43.461 42.059 0.020 0.000 1.236 237 L HN 0.677 nan 8.230 nan 0.000 0.419 238 D N 1.627 122.079 120.400 0.087 0.000 2.494 238 D HA 0.236 4.876 4.640 0.000 0.000 0.259 238 D C -0.264 176.066 176.300 0.050 0.000 1.109 238 D CA 0.041 54.122 54.000 0.135 0.000 1.040 238 D CB 1.096 41.998 40.800 0.170 0.000 1.175 238 D HN 0.311 nan 8.370 nan 0.000 0.584 239 Q N -0.053 119.781 119.800 0.057 0.000 2.452 239 Q HA -0.179 4.161 4.340 0.000 0.000 0.318 239 Q C -0.542 175.467 176.000 0.014 0.000 1.386 239 Q CA 0.398 56.228 55.803 0.045 0.000 0.872 239 Q CB -1.939 26.822 28.738 0.038 0.000 1.151 239 Q HN 0.454 nan 8.270 nan 0.000 0.417 240 L N 1.996 123.190 121.223 -0.049 0.000 2.490 240 L HA 0.123 4.463 4.340 0.000 0.000 0.274 240 L C -1.050 175.808 176.870 -0.020 0.000 1.201 240 L CA -1.167 53.582 54.840 -0.152 0.000 0.869 240 L CB -0.188 41.566 42.059 -0.508 0.000 1.123 240 L HN 0.027 nan 8.230 nan 0.000 0.484 241 P HA 0.132 nan 4.420 nan 0.000 0.271 241 P C -0.832 176.585 177.300 0.194 0.000 1.216 241 P CA -0.171 62.980 63.100 0.086 0.000 0.771 241 P CB 1.337 33.063 31.700 0.044 0.000 0.864 242 V N 2.488 122.515 119.914 0.189 0.000 2.667 242 V HA 0.768 4.888 4.120 0.000 0.000 0.308 242 V C 0.904 177.052 176.094 0.091 0.000 1.048 242 V CA -0.228 62.181 62.300 0.182 0.000 0.928 242 V CB 1.682 33.573 31.823 0.112 0.000 1.004 242 V HN 0.890 nan 8.190 nan 0.000 0.444 243 G N 1.229 110.071 108.800 0.070 0.000 3.251 243 G HA2 0.552 4.512 3.960 0.000 0.000 0.248 243 G HA3 0.552 4.512 3.960 0.000 0.000 0.248 243 G C 0.572 175.485 174.900 0.021 0.000 1.320 243 G CA 0.458 45.583 45.100 0.042 0.000 0.982 243 G HN 0.730 nan 8.290 nan 0.000 0.575 244 Q N -1.866 117.944 119.800 0.016 0.000 2.084 244 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 244 Q C 2.127 178.128 176.000 0.003 0.000 0.978 244 Q CA 2.412 58.219 55.803 0.007 0.000 0.844 244 Q CB -1.604 27.138 28.738 0.008 0.000 0.898 244 Q HN 1.294 nan 8.270 nan 0.000 0.426 245 N N -0.397 118.309 118.700 0.010 0.000 2.313 245 N HA 0.479 5.219 4.740 0.000 0.000 0.207 245 N C 1.291 176.803 175.510 0.004 0.000 1.141 245 N CA 0.972 54.026 53.050 0.007 0.000 0.830 245 N CB -0.191 38.305 38.487 0.016 0.000 1.008 245 N HN 1.446 nan 8.380 nan 0.000 0.481 246 G N -0.563 108.233 108.800 -0.006 0.000 2.484 246 G HA2 -0.188 3.772 3.960 0.000 0.000 0.225 246 G HA3 -0.188 3.772 3.960 0.000 0.000 0.225 246 G C -0.334 174.599 174.900 0.056 0.000 1.250 246 G CA -0.407 44.668 45.100 -0.041 0.000 0.926 246 G HN 0.573 nan 8.290 nan 0.000 0.581 247 Y N 0.615 120.923 120.300 0.013 0.000 2.729 247 Y HA 0.239 4.789 4.550 0.000 0.000 0.331 247 Y C 1.520 177.428 175.900 0.013 0.000 1.208 247 Y CA -0.171 57.938 58.100 0.015 0.000 1.521 247 Y CB 0.131 38.602 38.460 0.018 0.000 1.233 247 Y HN 0.314 nan 8.280 nan 0.000 0.539 248 I N 6.694 127.378 120.570 0.189 0.000 2.379 248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 248 I C -0.551 175.596 176.117 0.050 0.000 1.063 248 I CA 0.204 61.558 61.300 0.090 0.000 1.351 248 I CB 0.199 38.237 38.000 0.063 0.000 1.410 248 I HN 0.379 nan 8.210 nan 0.000 0.505 249 L N 8.557 129.805 121.223 0.042 0.000 2.455 249 L HA 0.461 4.801 4.340 0.000 0.000 0.264 249 L C -2.519 174.357 176.870 0.011 0.000 0.968 249 L CA -1.823 53.026 54.840 0.015 0.000 0.827 249 L CB 2.527 44.600 42.059 0.023 0.000 1.317 249 L HN 0.354 nan 8.230 nan 0.000 0.407 250 P HA 0.162 nan 4.420 nan 0.000 0.277 250 P C 0.637 177.932 177.300 -0.008 0.000 1.354 250 P CA -0.205 62.889 63.100 -0.009 0.000 0.891 250 P CB 0.703 32.392 31.700 -0.020 0.000 1.058 251 L N 2.890 124.112 121.223 -0.002 0.000 2.131 251 L HA -0.144 4.196 4.340 0.000 0.000 0.210 251 L C 2.380 179.244 176.870 -0.010 0.000 1.092 251 L CA 1.261 56.103 54.840 0.002 0.000 0.759 251 L CB -0.566 41.498 42.059 0.008 0.000 0.903 251 L HN 0.282 nan 8.230 nan 0.000 0.435 252 I N -0.350 120.204 120.570 -0.028 0.000 2.286 252 I HA -0.218 3.952 4.170 0.000 0.000 0.245 252 I C 2.059 178.133 176.117 -0.072 0.000 1.104 252 I CA 0.971 62.241 61.300 -0.049 0.000 1.397 252 I CB -0.372 37.590 38.000 -0.064 0.000 1.072 252 I HN 0.194 nan 8.210 nan 0.000 0.417 253 D N 1.284 121.640 120.400 -0.074 0.000 2.092 253 D HA -0.157 4.483 4.640 0.000 0.000 0.193 253 D C 2.179 178.455 176.300 -0.039 0.000 0.994 253 D CA 1.420 55.368 54.000 -0.085 0.000 0.828 253 D CB -0.330 40.435 40.800 -0.058 0.000 0.963 253 D HN 0.265 nan 8.370 nan 0.000 0.450 254 L N 0.318 121.536 121.223 -0.008 0.000 2.551 254 L HA 0.000 4.340 4.340 0.000 0.000 0.228 254 L C 1.576 178.471 176.870 0.041 0.000 1.153 254 L CA 0.670 55.527 54.840 0.027 0.000 0.851 254 L CB -0.196 41.880 42.059 0.028 0.000 0.959 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.092 112.617 115.700 0.015 0.000 2.593 255 S HA 0.167 4.637 4.470 0.000 0.000 0.236 255 S C 0.508 175.109 174.600 0.001 0.000 0.991 255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 255 S CB 0.162 63.370 63.200 0.013 0.000 0.865 255 S HN 0.086 nan 8.310 nan 0.000 0.488 256 T N 2.825 117.368 114.554 -0.019 0.000 2.855 256 T HA 0.570 4.920 4.350 0.000 0.000 0.281 256 T C -0.569 174.127 174.700 -0.006 0.000 1.007 256 T CA -0.600 61.471 62.100 -0.049 0.000 1.009 256 T CB 1.344 70.109 68.868 -0.171 0.000 0.983 256 T HN 0.259 nan 8.240 nan 0.000 0.455 257 L N 3.251 124.469 121.223 -0.009 0.000 2.289 257 L HA 0.452 4.792 4.340 0.000 0.000 0.285 257 L C -0.926 176.026 176.870 0.137 0.000 1.049 257 L CA -1.044 53.767 54.840 -0.049 0.000 0.804 257 L CB 0.627 42.556 42.059 -0.217 0.000 1.195 257 L HN 0.625 nan 8.230 nan 0.000 0.428 258 Y N 4.524 124.869 120.300 0.076 0.000 2.402 258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 258 Y C -0.849 174.996 175.900 -0.091 0.000 0.960 258 Y CA -1.237 56.965 58.100 0.169 0.000 1.228 258 Y CB 0.581 39.270 38.460 0.383 0.000 1.120 258 Y HN 0.523 nan 8.280 nan 0.000 0.491 259 N N 5.894 124.164 118.700 -0.717 0.000 2.265 259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 259 N C -1.528 173.470 175.510 -0.854 0.000 1.148 259 N CA -0.648 51.899 53.050 -0.838 0.000 0.772 259 N CB 2.378 40.347 38.487 -0.862 0.000 1.434 259 N HN 0.556 nan 8.380 nan 0.000 0.481 260 L N 0.586 121.512 121.223 -0.496 0.000 2.346 260 L HA 0.590 4.930 4.340 0.000 0.000 0.276 260 L C -0.003 176.860 176.870 -0.011 0.000 1.006 260 L CA -0.548 54.177 54.840 -0.191 0.000 0.817 260 L CB 1.698 43.611 42.059 -0.242 0.000 1.272 260 L HN 0.387 nan 8.230 nan 0.000 0.421 261 E N 2.454 122.789 120.200 0.225 0.000 2.408 261 E HA 0.381 4.731 4.350 0.000 0.000 0.275 261 E C -1.479 175.219 176.600 0.164 0.000 0.935 261 E CA -0.850 55.678 56.400 0.214 0.000 0.775 261 E CB 3.146 33.045 29.700 0.332 0.000 1.277 261 E HN 0.670 nan 8.360 nan 0.000 0.455 262 N N -0.049 118.681 118.700 0.050 0.000 2.405 262 N HA 0.534 5.274 4.740 0.000 0.000 0.285 262 N C -1.141 174.405 175.510 0.061 0.000 1.262 262 N CA -0.578 52.429 53.050 -0.072 0.000 0.773 262 N CB 2.012 40.341 38.487 -0.265 0.000 1.490 262 N HN 0.492 nan 8.380 nan 0.000 0.486 263 S N -1.379 114.365 115.700 0.073 0.000 2.656 263 S HA 0.887 5.357 4.470 0.000 0.000 0.273 263 S C -1.553 173.121 174.600 0.124 0.000 1.168 263 S CA -0.882 57.390 58.200 0.120 0.000 0.817 263 S CB 1.258 64.560 63.200 0.171 0.000 1.146 263 S HN 1.091 nan 8.310 nan 0.000 0.475 264 A N 1.002 123.899 122.820 0.128 0.000 2.414 264 A HA 0.825 5.145 4.320 0.000 0.000 0.306 264 A C -1.338 176.329 177.584 0.138 0.000 1.054 264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 264 A CB 1.572 20.653 19.000 0.135 0.000 1.267 264 A HN 0.776 nan 8.150 nan 0.000 0.418 265 Q N 0.621 120.523 119.800 0.170 0.000 2.359 265 Q HA 0.788 5.128 4.340 0.000 0.000 0.274 265 Q C -0.670 175.474 176.000 0.240 0.000 1.074 265 Q CA -0.590 55.357 55.803 0.240 0.000 0.810 265 Q CB 2.031 30.969 28.738 0.333 0.000 1.342 265 Q HN 1.196 nan 8.270 nan 0.000 0.427 266 A N -0.337 122.623 122.820 0.234 0.000 2.486 266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 266 A C 0.348 178.029 177.584 0.161 0.000 1.176 266 A CA -0.285 51.796 52.037 0.074 0.000 0.757 266 A CB 1.428 20.454 19.000 0.043 0.000 1.337 266 A HN 1.409 nan 8.150 nan 0.000 0.423 267 G N -1.072 107.727 108.800 -0.001 0.000 2.151 267 G HA2 0.011 3.971 3.960 0.000 0.000 0.156 267 G HA3 0.011 3.971 3.960 0.000 0.000 0.156 267 G C -0.425 174.486 174.900 0.018 0.000 1.017 267 G CA -0.032 45.128 45.100 0.100 0.000 0.686 267 G HN 0.753 nan 8.290 nan 0.000 0.503 268 L N 1.482 122.513 121.223 -0.319 0.000 2.395 268 L HA 0.778 5.118 4.340 0.000 0.000 0.269 268 L C 0.976 177.770 176.870 -0.126 0.000 1.133 268 L CA 0.512 55.135 54.840 -0.361 0.000 0.812 268 L CB 1.669 43.370 42.059 -0.596 0.000 1.125 268 L HN 0.459 nan 8.230 nan 0.000 0.452 269 T N -0.103 114.406 114.554 -0.075 0.000 2.952 269 T HA 0.544 4.894 4.350 0.000 0.000 0.305 269 T C -2.857 171.814 174.700 -0.049 0.000 1.064 269 T CA -2.232 59.844 62.100 -0.041 0.000 1.008 269 T CB 1.912 70.773 68.868 -0.011 0.000 1.078 269 T HN 0.164 nan 8.240 nan 0.000 0.459 270 P HA 0.120 nan 4.420 nan 0.000 0.261 270 P C 0.291 177.563 177.300 -0.047 0.000 1.173 270 P CA 0.562 63.637 63.100 -0.042 0.000 0.760 270 P CB 0.074 31.759 31.700 -0.025 0.000 0.783 271 N N -0.989 117.669 118.700 -0.070 0.000 2.778 271 N HA -0.144 4.596 4.740 0.000 0.000 0.249 271 N C -0.577 174.896 175.510 -0.062 0.000 1.069 271 N CA 0.753 53.762 53.050 -0.068 0.000 0.831 271 N CB -1.640 36.829 38.487 -0.029 0.000 1.142 271 N HN 0.194 nan 8.380 nan 0.000 0.573 272 V N 1.147 121.022 119.914 -0.065 0.000 2.459 272 V HA 0.226 4.346 4.120 0.000 0.000 0.295 272 V C 0.125 176.190 176.094 -0.050 0.000 1.029 272 V CA -0.813 61.466 62.300 -0.035 0.000 0.874 272 V CB 2.083 33.903 31.823 -0.005 0.000 0.985 272 V HN -0.048 nan 8.190 nan 0.000 0.438 273 D N 3.395 123.775 120.400 -0.033 0.000 2.434 273 D HA 0.110 4.750 4.640 0.000 0.000 0.252 273 D C -0.542 175.769 176.300 0.018 0.000 1.185 273 D CA 0.495 54.472 54.000 -0.038 0.000 0.886 273 D CB 0.398 41.198 40.800 -0.000 0.000 1.148 273 D HN 0.347 nan 8.370 nan 0.000 0.483 274 F N 3.630 123.487 119.950 -0.156 0.000 2.385 274 F HA 0.328 4.855 4.527 0.000 0.000 0.360 274 F C -0.713 175.029 175.800 -0.096 0.000 1.122 274 F CA -0.782 57.142 58.000 -0.127 0.000 1.090 274 F CB 0.783 39.679 39.000 -0.173 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.935 126.555 119.914 -0.489 0.000 2.417 275 V HA 0.413 4.533 4.120 0.000 0.000 0.291 275 V C -0.597 175.239 176.094 -0.429 0.000 1.024 275 V CA -0.907 61.192 62.300 -0.336 0.000 0.861 275 V CB 1.429 33.138 31.823 -0.191 0.000 0.985 275 V HN 0.495 nan 8.190 nan 0.000 0.436 276 V N 5.096 124.861 119.914 -0.250 0.000 2.328 276 V HA 0.335 4.455 4.120 0.000 0.000 0.278 276 V C 0.107 176.074 176.094 -0.213 0.000 1.021 276 V CA -0.707 61.460 62.300 -0.222 0.000 0.838 276 V CB 1.276 33.034 31.823 -0.108 0.000 0.999 276 V HN 0.815 nan 8.190 nan 0.000 0.447 277 Q N 3.013 122.697 119.800 -0.193 0.000 2.352 277 Q HA 0.277 4.617 4.340 0.000 0.000 0.260 277 Q C -0.822 175.023 176.000 -0.259 0.000 0.976 277 Q CA 0.116 55.825 55.803 -0.156 0.000 0.881 277 Q CB 1.022 29.698 28.738 -0.103 0.000 1.235 277 Q HN 0.633 nan 8.270 nan 0.000 0.419 278 Y N 0.068 120.253 120.300 -0.193 0.000 2.304 278 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 278 Y C 0.735 176.526 175.900 -0.182 0.000 1.123 278 Y CA -0.393 57.480 58.100 -0.378 0.000 1.218 278 Y CB 1.036 39.205 38.460 -0.484 0.000 1.207 278 Y HN 0.644 nan 8.280 nan 0.000 0.495 279 A N 3.021 125.857 122.820 0.025 0.000 2.313 279 A HA 0.310 4.630 4.320 0.000 0.000 0.261 279 A C -0.149 177.412 177.584 -0.038 0.000 1.090 279 A CA -0.799 51.192 52.037 -0.076 0.000 0.807 279 A CB -0.011 18.822 19.000 -0.278 0.000 1.055 279 A HN 0.875 nan 8.150 nan 0.000 0.492 280 N N -0.676 117.933 118.700 -0.152 0.000 2.408 280 N HA 0.533 5.273 4.740 0.000 0.000 0.260 280 N C 0.546 175.937 175.510 -0.199 0.000 1.242 280 N CA -0.139 52.818 53.050 -0.155 0.000 0.959 280 N CB 0.502 38.892 38.487 -0.162 0.000 1.201 280 N HN 0.730 nan 8.380 nan 0.000 0.511 281 L N -4.086 117.058 121.223 -0.131 0.000 3.570 281 L HA -0.300 4.040 4.340 0.000 0.000 0.382 281 L C -0.305 176.776 176.870 0.351 0.000 0.698 281 L CA 1.325 56.212 54.840 0.078 0.000 2.990 281 L CB -1.365 40.699 42.059 0.009 0.000 0.731 281 L HN 0.628 nan 8.230 nan 0.000 0.725 282 Y N 1.294 121.582 120.300 -0.021 0.000 2.346 282 Y HA 0.268 4.818 4.550 0.000 0.000 0.330 282 Y C 1.031 176.911 175.900 -0.033 0.000 1.178 282 Y CA -0.636 57.322 58.100 -0.237 0.000 1.331 282 Y CB 0.508 38.384 38.460 -0.973 0.000 1.253 282 Y HN 0.059 nan 8.280 nan 0.000 0.529 283 R N 3.559 124.149 120.500 0.150 0.000 2.247 283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 283 R C -1.714 174.631 176.300 0.075 0.000 1.014 283 R CA -0.601 55.594 56.100 0.158 0.000 0.907 283 R CB 0.373 30.711 30.300 0.064 0.000 1.146 283 R HN 0.535 nan 8.270 nan 0.000 0.499 284 Y N 3.241 123.649 120.300 0.180 0.000 2.436 284 Y HA 0.047 4.597 4.550 0.000 0.000 0.343 284 Y C 1.384 177.345 175.900 0.102 0.000 1.008 284 Y CA -0.268 57.950 58.100 0.197 0.000 1.241 284 Y CB 0.644 39.238 38.460 0.224 0.000 1.153 284 Y HN 0.464 nan 8.280 nan 0.000 0.521 285 L N 1.899 123.242 121.223 0.199 0.000 2.162 285 L HA 0.038 4.378 4.340 0.000 0.000 0.205 285 L C 0.759 177.741 176.870 0.187 0.000 1.086 285 L CA 0.610 55.507 54.840 0.096 0.000 0.778 285 L CB -0.114 41.921 42.059 -0.040 0.000 0.928 285 L HN 0.624 nan 8.230 nan 0.000 0.446 286 S N -1.990 113.885 115.700 0.291 0.000 2.570 286 S HA 0.610 5.080 4.470 0.000 0.000 0.270 286 S C -0.622 174.176 174.600 0.330 0.000 1.149 286 S CA -0.678 57.666 58.200 0.239 0.000 0.837 286 S CB 2.364 65.750 63.200 0.312 0.000 1.124 286 S HN -0.071 nan 8.310 nan 0.000 0.465 287 T N 1.940 116.600 114.554 0.178 0.000 2.916 287 T HA 0.610 4.960 4.350 0.000 0.000 0.298 287 T C -0.954 173.726 174.700 -0.034 0.000 1.031 287 T CA -0.397 61.765 62.100 0.105 0.000 0.993 287 T CB 0.905 69.881 68.868 0.180 0.000 1.045 287 T HN 0.659 nan 8.240 nan 0.000 0.454 288 I N 2.241 122.728 120.570 -0.138 0.000 2.509 288 I HA 0.723 4.893 4.170 0.000 0.000 0.293 288 I C -0.346 175.626 176.117 -0.241 0.000 1.020 288 I CA -0.927 60.332 61.300 -0.068 0.000 1.088 288 I CB 1.746 39.807 38.000 0.102 0.000 1.267 288 I HN 0.734 nan 8.210 nan 0.000 0.430 289 A N 6.254 128.985 122.820 -0.149 0.000 2.335 289 A HA 0.755 5.075 4.320 0.000 0.000 0.304 289 A C -1.141 176.521 177.584 0.129 0.000 1.118 289 A CA -0.475 51.489 52.037 -0.121 0.000 0.757 289 A CB 1.353 20.191 19.000 -0.271 0.000 1.188 289 A HN 0.392 nan 8.150 nan 0.000 0.460 290 V N 3.335 123.341 119.914 0.154 0.000 2.357 290 V HA 0.315 4.435 4.120 0.000 0.000 0.284 290 V C -0.694 175.582 176.094 0.305 0.000 1.018 290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 290 V CB 1.192 33.097 31.823 0.136 0.000 0.991 290 V HN 0.782 nan 8.190 nan 0.000 0.437 291 F N 5.286 125.327 119.950 0.152 0.000 2.406 291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 291 F C 0.459 176.149 175.800 -0.183 0.000 1.161 291 F CA -1.791 56.215 58.000 0.011 0.000 1.185 291 F CB 0.167 39.195 39.000 0.046 0.000 1.421 291 F HN 0.600 nan 8.300 nan 0.000 0.576 292 D N 4.241 124.624 120.400 -0.030 0.000 2.435 292 D HA -0.029 4.611 4.640 0.000 0.000 0.230 292 D C -0.084 175.879 176.300 -0.562 0.000 1.215 292 D CA 0.086 53.758 54.000 -0.547 0.000 0.947 292 D CB -0.318 40.402 40.800 -0.134 0.000 1.048 292 D HN 0.273 nan 8.370 nan 0.000 0.512 293 N N 2.832 120.948 118.700 -0.973 0.000 3.050 293 N HA 0.191 4.931 4.740 0.000 0.000 0.289 293 N C 0.734 175.934 175.510 -0.517 0.000 1.209 293 N CA 0.413 52.939 53.050 -0.873 0.000 1.154 293 N CB -0.436 37.333 38.487 -1.197 0.000 1.444 293 N HN 0.609 nan 8.380 nan 0.000 0.529 294 G N 0.974 109.569 108.800 -0.342 0.000 2.323 294 G HA2 -0.214 3.746 3.960 0.000 0.000 0.292 294 G HA3 -0.214 3.746 3.960 0.000 0.000 0.292 294 G C 0.982 175.749 174.900 -0.221 0.000 1.040 294 G CA 0.566 45.535 45.100 -0.219 0.000 0.942 294 G HN 1.104 nan 8.290 nan 0.000 0.506 295 G N -2.333 106.290 108.800 -0.296 0.000 2.217 295 G HA2 -0.059 3.901 3.960 0.000 0.000 0.246 295 G HA3 -0.059 3.901 3.960 0.000 0.000 0.246 295 G C 0.476 175.244 174.900 -0.220 0.000 0.990 295 G CA 0.643 45.644 45.100 -0.165 0.000 0.627 295 G HN 1.742 nan 8.290 nan 0.000 0.522 296 S N 0.267 115.704 115.700 -0.437 0.000 2.508 296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 296 S C -0.810 173.380 174.600 -0.684 0.000 1.192 296 S CA -0.294 57.695 58.200 -0.351 0.000 1.070 296 S CB 0.881 63.908 63.200 -0.288 0.000 1.004 296 S HN 0.308 nan 8.310 nan 0.000 0.493 297 F N 2.904 122.748 119.950 -0.177 0.000 2.445 297 F HA 0.442 4.969 4.527 0.000 0.000 0.348 297 F C 0.455 176.193 175.800 -0.103 0.000 1.125 297 F CA -0.851 57.055 58.000 -0.158 0.000 0.983 297 F CB 1.204 40.113 39.000 -0.153 0.000 1.198 297 F HN 0.389 nan 8.300 nan 0.000 0.436 298 N N 1.427 120.125 118.700 -0.004 0.000 2.384 298 N HA 0.502 5.242 4.740 0.000 0.000 0.301 298 N C -0.492 175.084 175.510 0.110 0.000 1.133 298 N CA -0.706 52.362 53.050 0.030 0.000 0.853 298 N CB 2.237 40.706 38.487 -0.030 0.000 1.241 298 N HN 0.574 nan 8.380 nan 0.000 0.502 299 A N 0.610 123.492 122.820 0.103 0.000 3.063 299 A HA 0.462 4.782 4.320 0.000 0.000 0.263 299 A C 1.352 179.045 177.584 0.181 0.000 1.736 299 A CA 0.338 52.454 52.037 0.131 0.000 1.408 299 A CB -1.423 17.635 19.000 0.096 0.000 1.108 299 A HN 0.915 nan 8.150 nan 0.000 0.621 300 G N 1.069 110.040 108.800 0.284 0.000 2.302 300 G HA2 -0.422 3.538 3.960 0.000 0.000 0.263 300 G HA3 -0.422 3.538 3.960 0.000 0.000 0.263 300 G C 1.360 176.348 174.900 0.148 0.000 0.995 300 G CA 1.549 46.813 45.100 0.273 0.000 0.622 300 G HN 1.558 nan 8.290 nan 0.000 0.538 301 T N -0.626 113.995 114.554 0.112 0.000 2.977 301 T HA 0.043 4.393 4.350 0.000 0.000 0.271 301 T C 1.479 176.210 174.700 0.052 0.000 1.105 301 T CA 1.878 64.018 62.100 0.068 0.000 1.116 301 T CB -0.242 68.654 68.868 0.046 0.000 0.878 301 T HN 0.624 nan 8.240 nan 0.000 0.509 302 D N 0.324 120.767 120.400 0.072 0.000 2.368 302 D HA 0.255 4.895 4.640 0.000 0.000 0.218 302 D C 0.147 176.532 176.300 0.141 0.000 1.112 302 D CA -0.495 53.556 54.000 0.084 0.000 0.834 302 D CB -0.307 40.508 40.800 0.024 0.000 0.953 302 D HN 0.478 nan 8.370 nan 0.000 0.505 303 I N 0.466 121.073 120.570 0.061 0.000 2.545 303 I HA 0.217 4.387 4.170 0.000 0.000 0.292 303 I C 0.620 176.685 176.117 -0.086 0.000 1.040 303 I CA -0.863 60.400 61.300 -0.062 0.000 1.068 303 I CB 2.138 40.038 38.000 -0.166 0.000 1.251 303 I HN -0.269 nan 8.210 nan 0.000 0.424 304 N N 3.896 122.496 118.700 -0.166 0.000 2.197 304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 304 N C -0.569 174.946 175.510 0.008 0.000 1.030 304 N CA 1.404 54.401 53.050 -0.088 0.000 0.851 304 N CB 0.248 38.643 38.487 -0.152 0.000 1.003 304 N HN 0.629 nan 8.380 nan 0.000 0.430 305 Y N -1.978 118.244 120.300 -0.130 0.000 2.741 305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 305 Y C -1.794 173.934 175.900 -0.286 0.000 1.226 305 Y CA -1.442 56.566 58.100 -0.154 0.000 1.072 305 Y CB 0.475 38.886 38.460 -0.083 0.000 1.331 305 Y HN -0.276 nan 8.280 nan 0.000 0.453 306 L N 1.640 122.806 121.223 -0.094 0.000 2.333 306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 306 L C -0.099 176.655 176.870 -0.194 0.000 1.014 306 L CA -0.546 54.002 54.840 -0.485 0.000 0.820 306 L CB 2.213 43.490 42.059 -1.304 0.000 1.352 306 L HN 0.891 nan 8.230 nan 0.000 0.421 307 S N -0.166 115.321 115.700 -0.356 0.000 2.636 307 S HA 0.588 5.058 4.470 0.000 0.000 0.268 307 S C -2.078 172.392 174.600 -0.217 0.000 1.159 307 S CA -0.616 57.550 58.200 -0.058 0.000 0.815 307 S CB 1.609 64.816 63.200 0.011 0.000 1.130 307 S HN 0.579 nan 8.310 nan 0.000 0.471 308 Q N 1.072 120.870 119.800 -0.003 0.000 2.304 308 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 308 Q C -1.109 174.916 176.000 0.042 0.000 1.035 308 Q CA -0.684 55.151 55.803 0.052 0.000 0.781 308 Q CB 2.207 31.034 28.738 0.147 0.000 1.261 308 Q HN 0.665 nan 8.270 nan 0.000 0.444 309 R N -0.637 119.894 120.500 0.050 0.000 2.604 309 R HA 0.440 4.780 4.340 0.000 0.000 0.281 309 R C -0.341 175.980 176.300 0.035 0.000 1.020 309 R CA -0.707 55.410 56.100 0.028 0.000 0.899 309 R CB 0.982 31.287 30.300 0.009 0.000 1.205 309 R HN 0.503 nan 8.270 nan 0.000 0.450 310 T N 0.691 115.256 114.554 0.017 0.000 3.418 310 T HA 0.446 4.796 4.350 0.000 0.000 0.239 310 T C 0.982 175.685 174.700 0.005 0.000 0.905 310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 310 T CB -0.526 68.343 68.868 0.003 0.000 1.121 310 T HN 1.087 nan 8.240 nan 0.000 0.608 311 A N 1.499 124.322 122.820 0.006 0.000 5.821 311 A HA -0.066 4.254 4.320 0.000 0.000 0.282 311 A C 1.526 179.107 177.584 -0.006 0.000 2.032 311 A CA 1.755 53.790 52.037 -0.003 0.000 0.715 311 A CB -2.355 16.641 19.000 -0.007 0.000 1.178 311 A HN 2.329 nan 8.150 nan 0.000 0.370 312 N N -2.433 116.261 118.700 -0.009 0.000 2.677 312 N HA 0.424 5.164 4.740 0.000 0.000 0.249 312 N C 1.308 176.812 175.510 -0.009 0.000 1.073 312 N CA 2.172 55.217 53.050 -0.009 0.000 0.737 312 N CB -2.256 36.226 38.487 -0.009 0.000 0.999 312 N HN 2.686 nan 8.380 nan 0.000 0.543 313 F N -2.175 117.770 119.950 -0.009 0.000 2.694 313 F HA 0.139 4.666 4.527 0.000 0.000 0.215 313 F C 0.814 176.606 175.800 -0.013 0.000 1.032 313 F CA 1.542 59.536 58.000 -0.011 0.000 0.871 313 F CB -1.728 37.265 39.000 -0.011 0.000 0.776 313 F HN 1.959 nan 8.300 nan 0.000 0.850 314 S N 1.422 117.115 115.700 -0.012 0.000 2.721 314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 314 S C -0.927 173.666 174.600 -0.011 0.000 1.161 314 S CA -0.289 57.903 58.200 -0.013 0.000 1.113 314 S CB 0.646 63.840 63.200 -0.009 0.000 1.079 314 S HN 0.579 nan 8.310 nan 0.000 0.479 315 D N 2.795 123.182 120.400 -0.021 0.000 2.255 315 D HA 0.239 4.879 4.640 0.000 0.000 0.249 315 D C 1.204 177.497 176.300 -0.012 0.000 1.078 315 D CA -0.060 53.929 54.000 -0.018 0.000 0.896 315 D CB 1.890 42.664 40.800 -0.043 0.000 1.194 315 D HN 0.659 nan 8.370 nan 0.000 0.429 316 T N -1.066 113.489 114.554 0.002 0.000 3.022 316 T HA 0.060 4.410 4.350 0.000 0.000 0.250 316 T C 0.929 175.629 174.700 -0.000 0.000 1.060 316 T CA -0.278 61.821 62.100 -0.001 0.000 1.013 316 T CB 0.278 69.148 68.868 0.002 0.000 0.982 316 T HN 0.588 nan 8.240 nan 0.000 0.508 317 R N 0.421 120.932 120.500 0.020 0.000 2.714 317 R HA 0.312 4.652 4.340 0.000 0.000 0.214 317 R C -0.845 175.523 176.300 0.113 0.000 1.474 317 R CA -0.653 55.467 56.100 0.033 0.000 1.435 317 R CB -0.320 29.969 30.300 -0.018 0.000 1.517 317 R HN 0.084 nan 8.270 nan 0.000 0.748 318 K N 2.879 123.303 120.400 0.040 0.000 2.338 318 K HA 0.283 4.603 4.320 0.000 0.000 0.290 318 K C -0.961 175.661 176.600 0.037 0.000 1.069 318 K CA -0.105 56.182 56.287 0.001 0.000 0.941 318 K CB 0.468 32.862 32.500 -0.177 0.000 1.023 318 K HN 0.443 nan 8.250 nan 0.000 0.477 319 L N 3.282 124.617 121.223 0.187 0.000 2.371 319 L HA 0.341 4.681 4.340 0.000 0.000 0.262 319 L C -0.431 176.575 176.870 0.227 0.000 1.006 319 L CA -1.376 53.592 54.840 0.213 0.000 0.818 319 L CB 2.034 44.287 42.059 0.323 0.000 1.354 319 L HN 0.737 nan 8.230 nan 0.000 0.415 320 D N 0.350 120.856 120.400 0.176 0.000 2.368 320 D HA 0.148 4.788 4.640 0.000 0.000 0.240 320 D C -2.108 174.306 176.300 0.189 0.000 1.169 320 D CA -1.205 52.891 54.000 0.160 0.000 0.906 320 D CB 0.664 41.537 40.800 0.123 0.000 1.187 320 D HN 0.196 nan 8.370 nan 0.000 0.435 321 P HA -0.217 nan 4.420 nan 0.000 0.216 321 P C 1.131 178.605 177.300 0.290 0.000 1.150 321 P CA 1.530 64.735 63.100 0.174 0.000 0.843 321 P CB 0.090 31.860 31.700 0.117 0.000 0.787 322 K N -1.071 119.459 120.400 0.217 0.000 2.097 322 K HA -0.071 4.249 4.320 0.000 0.000 0.205 322 K C 1.735 178.460 176.600 0.209 0.000 1.050 322 K CA 1.527 57.935 56.287 0.202 0.000 0.938 322 K CB -0.399 32.186 32.500 0.141 0.000 0.718 322 K HN 0.032 nan 8.250 nan 0.000 0.442 323 T N 0.334 115.010 114.554 0.203 0.000 2.904 323 T HA -0.139 4.211 4.350 0.000 0.000 0.267 323 T C 1.115 175.948 174.700 0.221 0.000 1.059 323 T CA 0.775 62.978 62.100 0.172 0.000 1.137 323 T CB -0.201 68.749 68.868 0.136 0.000 0.879 323 T HN 0.437 nan 8.240 nan 0.000 0.467 324 W N 2.247 123.620 121.300 0.121 0.000 2.358 324 W HA -0.069 4.591 4.660 0.000 0.000 0.303 324 W C 2.446 179.088 176.519 0.206 0.000 1.208 324 W CA 1.252 58.692 57.345 0.157 0.000 1.274 324 W CB -0.612 28.949 29.460 0.168 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.895 124.017 122.820 0.502 0.000 1.972 325 A HA -0.066 4.254 4.320 0.000 0.000 0.219 325 A C 2.187 179.895 177.584 0.208 0.000 1.169 325 A CA 2.549 54.814 52.037 0.380 0.000 0.635 325 A CB -1.216 17.980 19.000 0.326 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.908 122.007 122.820 0.157 0.000 1.933 326 A HA -0.184 4.136 4.320 0.000 0.000 0.218 326 A C 2.090 179.707 177.584 0.056 0.000 1.175 326 A CA 1.668 53.760 52.037 0.092 0.000 0.628 326 A CB -0.432 18.614 19.000 0.076 0.000 0.814 326 A HN 0.499 nan 8.150 nan 0.000 0.444 327 Q N -0.490 119.322 119.800 0.019 0.000 2.124 327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 327 Q C 2.112 178.132 176.000 0.032 0.000 0.977 327 Q CA 1.987 57.771 55.803 -0.031 0.000 0.850 327 Q CB -1.227 27.407 28.738 -0.173 0.000 0.901 327 Q HN 0.636 nan 8.270 nan 0.000 0.429 328 T N 1.094 115.706 114.554 0.096 0.000 2.821 328 T HA -0.061 4.289 4.350 0.000 0.000 0.267 328 T C 1.805 176.569 174.700 0.106 0.000 1.046 328 T CA 0.755 62.983 62.100 0.212 0.000 1.139 328 T CB -0.040 69.048 68.868 0.366 0.000 0.871 328 T HN 0.261 nan 8.240 nan 0.000 0.454 329 R N 0.720 121.262 120.500 0.071 0.000 2.152 329 R HA 0.028 4.368 4.340 0.000 0.000 0.232 329 R C 2.441 178.747 176.300 0.010 0.000 1.117 329 R CA 0.759 56.871 56.100 0.020 0.000 0.981 329 R CB -0.069 30.248 30.300 0.028 0.000 0.870 329 R HN 0.221 nan 8.270 nan 0.000 0.451 330 R N 0.172 120.689 120.500 0.028 0.000 2.189 330 R HA 0.014 4.354 4.340 0.000 0.000 0.218 330 R C 1.848 178.164 176.300 0.028 0.000 1.074 330 R CA 0.739 56.852 56.100 0.022 0.000 0.991 330 R CB 0.024 30.337 30.300 0.023 0.000 0.883 330 R HN 0.169 nan 8.270 nan 0.000 0.457 331 R N 0.405 120.935 120.500 0.049 0.000 2.146 331 R HA 0.159 4.499 4.340 0.000 0.000 0.206 331 R C 2.024 178.314 176.300 -0.018 0.000 1.049 331 R CA 0.767 56.905 56.100 0.062 0.000 1.029 331 R CB 0.059 30.474 30.300 0.191 0.000 0.949 331 R HN 0.313 nan 8.270 nan 0.000 0.471 332 I N -3.973 116.547 120.570 -0.084 0.000 4.147 332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 332 I C 0.496 176.524 176.117 -0.149 0.000 1.424 332 I CA 0.099 61.296 61.300 -0.172 0.000 1.127 332 I CB 0.883 38.651 38.000 -0.386 0.000 1.128 332 I HN -0.043 nan 8.210 nan 0.000 0.417 333 A N 0.296 123.061 122.820 -0.092 0.000 2.861 333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 333 A C 0.636 178.173 177.584 -0.078 0.000 1.351 333 A CA 1.671 53.666 52.037 -0.070 0.000 0.904 333 A CB -2.298 16.664 19.000 -0.063 0.000 1.076 333 A HN 0.806 nan 8.150 nan 0.000 0.729 334 T N -1.851 112.638 114.554 -0.108 0.000 2.654 334 T HA 0.496 4.846 4.350 0.000 0.000 0.303 334 T C -2.120 172.503 174.700 -0.127 0.000 1.656 334 T CA 0.137 62.177 62.100 -0.100 0.000 0.971 334 T CB 0.941 69.740 68.868 -0.114 0.000 1.811 334 T HN 0.285 nan 8.240 nan 0.000 0.483 335 D N 0.570 120.913 120.400 -0.094 0.000 2.217 335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 335 D C -0.275 175.936 176.300 -0.147 0.000 1.008 335 D CA -0.119 53.845 54.000 -0.060 0.000 0.914 335 D CB 0.801 41.616 40.800 0.024 0.000 1.182 335 D HN 0.334 nan 8.370 nan 0.000 0.451 336 F N 0.591 120.476 119.950 -0.108 0.000 2.399 336 F HA 0.219 4.746 4.527 0.000 0.000 0.313 336 F C -1.340 174.356 175.800 -0.174 0.000 1.202 336 F CA -1.265 56.593 58.000 -0.236 0.000 1.192 336 F CB 0.079 38.834 39.000 -0.409 0.000 1.256 336 F HN 0.071 nan 8.300 nan 0.000 0.558 337 P HA -0.008 nan 4.420 nan 0.000 0.270 337 P C -1.172 176.160 177.300 0.054 0.000 1.227 337 P CA -0.268 62.895 63.100 0.106 0.000 0.788 337 P CB 0.329 32.193 31.700 0.274 0.000 0.926 338 K N 1.129 121.570 120.400 0.068 0.000 2.530 338 K HA 0.110 4.430 4.320 0.000 0.000 0.280 338 K C 1.289 177.952 176.600 0.104 0.000 1.004 338 K CA 1.284 57.613 56.287 0.069 0.000 1.071 338 K CB -0.768 31.792 32.500 0.101 0.000 0.876 338 K HN 0.864 nan 8.250 nan 0.000 0.487 339 G N 1.184 109.997 108.800 0.021 0.000 2.184 339 G HA2 -0.255 3.705 3.960 0.000 0.000 0.264 339 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 339 G C 0.015 174.864 174.900 -0.085 0.000 0.975 339 G CA 0.078 45.248 45.100 0.116 0.000 0.642 339 G HN 0.428 nan 8.290 nan 0.000 0.536 340 V N 0.995 120.695 119.914 -0.357 0.000 2.370 340 V HA 0.649 4.769 4.120 0.000 0.000 0.283 340 V C -0.292 175.439 176.094 -0.606 0.000 1.023 340 V CA -0.817 61.271 62.300 -0.352 0.000 0.857 340 V CB 0.830 32.419 31.823 -0.390 0.000 0.985 340 V HN 0.252 nan 8.190 nan 0.000 0.443 341 Y N 4.142 124.476 120.300 0.057 0.000 2.393 341 Y HA 0.623 5.173 4.550 0.000 0.000 0.341 341 Y C -0.506 175.570 175.900 0.293 0.000 0.988 341 Y CA -0.801 57.437 58.100 0.231 0.000 1.078 341 Y CB 1.822 40.343 38.460 0.101 0.000 1.203 341 Y HN 0.631 nan 8.280 nan 0.000 0.453 342 Y N 2.180 122.782 120.300 0.503 0.000 2.468 342 Y HA 0.672 5.222 4.550 0.000 0.000 0.342 342 Y C -1.191 175.005 175.900 0.494 0.000 1.021 342 Y CA -1.830 56.462 58.100 0.319 0.000 1.079 342 Y CB 1.714 40.288 38.460 0.190 0.000 1.226 342 Y HN 0.802 nan 8.280 nan 0.000 0.460 343 C N 6.627 125.665 119.300 -0.437 0.000 2.432 343 C HA 0.366 4.826 4.460 0.000 0.000 0.334 343 C C -1.319 173.290 174.990 -0.634 0.000 1.155 343 C CA -0.709 58.120 59.018 -0.314 0.000 1.335 343 C CB -0.019 27.915 27.740 0.322 0.000 1.964 343 C HN 0.885 nan 8.230 nan 0.000 0.444 344 D N 3.994 124.100 120.400 -0.490 0.000 2.280 344 D HA 0.295 4.935 4.640 0.000 0.000 0.243 344 D C 0.042 176.309 176.300 -0.053 0.000 1.129 344 D CA 0.276 54.156 54.000 -0.200 0.000 0.848 344 D CB 0.753 41.569 40.800 0.025 0.000 1.107 344 D HN 0.710 nan 8.370 nan 0.000 0.471 345 N N 3.514 122.221 118.700 0.012 0.000 2.451 345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 345 N C 1.093 176.626 175.510 0.039 0.000 1.410 345 N CA -0.171 52.896 53.050 0.028 0.000 0.884 345 N CB 0.724 39.238 38.487 0.044 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.479 121.011 120.500 0.053 0.000 2.081 346 R HA -0.044 4.296 4.340 0.000 0.000 0.235 346 R C 0.740 177.047 176.300 0.012 0.000 1.131 346 R CA 1.158 57.283 56.100 0.042 0.000 0.960 346 R CB 0.105 30.470 30.300 0.109 0.000 0.856 346 R HN 0.121 nan 8.270 nan 0.000 0.436 347 D N 0.419 120.833 120.400 0.023 0.000 2.194 347 D HA -0.041 4.599 4.640 0.000 0.000 0.204 347 D C 0.208 176.512 176.300 0.006 0.000 0.964 347 D CA 1.241 55.249 54.000 0.014 0.000 0.846 347 D CB 0.226 41.037 40.800 0.018 0.000 0.962 347 D HN 0.118 nan 8.370 nan 0.000 0.490 348 K N 0.906 121.312 120.400 0.009 0.000 2.753 348 K HA 0.293 4.613 4.320 0.000 0.000 0.185 348 K C -2.738 173.874 176.600 0.020 0.000 1.071 348 K CA -1.467 54.827 56.287 0.012 0.000 0.999 348 K CB 2.323 34.830 32.500 0.012 0.000 1.244 348 K HN -0.107 nan 8.250 nan 0.000 0.594 349 P HA -0.040 nan 4.420 nan 0.000 0.265 349 P C -0.117 177.233 177.300 0.084 0.000 1.187 349 P CA -0.184 62.946 63.100 0.049 0.000 0.766 349 P CB 0.452 32.169 31.700 0.029 0.000 0.820 350 I N 3.640 124.259 120.570 0.080 0.000 2.587 350 I HA 0.008 4.178 4.170 0.000 0.000 0.284 350 I C -0.039 176.222 176.117 0.240 0.000 1.134 350 I CA 0.255 61.562 61.300 0.012 0.000 1.410 350 I CB -1.201 36.570 38.000 -0.383 0.000 1.392 350 I HN 0.402 nan 8.210 nan 0.000 0.545 351 Y N 5.792 126.114 120.300 0.036 0.000 2.315 351 Y HA 0.162 4.712 4.550 0.000 0.000 0.324 351 Y C 1.284 177.209 175.900 0.041 0.000 1.062 351 Y CA -1.050 57.094 58.100 0.074 0.000 1.159 351 Y CB 1.584 40.080 38.460 0.060 0.000 1.145 351 Y HN 0.725 nan 8.280 nan 0.000 0.442 352 T N 0.751 115.223 114.554 -0.136 0.000 2.881 352 T HA -0.180 4.170 4.350 0.000 0.000 0.270 352 T C 2.035 176.582 174.700 -0.255 0.000 1.068 352 T CA 1.786 63.792 62.100 -0.158 0.000 1.131 352 T CB -0.705 68.096 68.868 -0.112 0.000 0.871 352 T HN 0.549 nan 8.240 nan 0.000 0.479 353 L N 0.655 121.546 121.223 -0.554 0.000 2.056 353 L HA 0.353 4.693 4.340 0.000 0.000 0.207 353 L C 3.037 179.813 176.870 -0.157 0.000 1.078 353 L CA 2.386 56.979 54.840 -0.412 0.000 0.749 353 L CB -2.199 39.482 42.059 -0.630 0.000 0.901 353 L HN 0.726 nan 8.230 nan 0.000 0.433 354 Q N -2.412 117.361 119.800 -0.044 0.000 2.360 354 Q HA 0.369 4.709 4.340 0.000 0.000 0.202 354 Q C 1.436 177.462 176.000 0.043 0.000 0.915 354 Q CA 1.534 57.386 55.803 0.082 0.000 0.943 354 Q CB -0.958 27.913 28.738 0.221 0.000 1.064 354 Q HN 1.856 nan 8.270 nan 0.000 0.511 355 Y N -3.212 117.091 120.300 0.004 0.000 2.795 355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 355 Y C 1.275 177.165 175.900 -0.016 0.000 1.035 355 Y CA 0.236 58.337 58.100 0.002 0.000 1.252 355 Y CB -0.063 38.405 38.460 0.013 0.000 1.399 355 Y HN 1.235 nan 8.280 nan 0.000 0.579 356 G N 0.898 109.675 108.800 -0.038 0.000 2.796 356 G HA2 -0.167 3.793 3.960 0.000 0.000 0.571 356 G HA3 -0.167 3.793 3.960 0.000 0.000 0.571 356 G C -0.508 174.371 174.900 -0.035 0.000 1.370 356 G CA -0.379 44.697 45.100 -0.040 0.000 0.856 356 G HN 0.941 nan 8.290 nan 0.000 0.538 357 N N -0.988 117.695 118.700 -0.028 0.000 2.454 357 N HA 0.333 5.073 4.740 0.000 0.000 0.254 357 N C -0.001 175.518 175.510 0.015 0.000 1.228 357 N CA 0.392 53.435 53.050 -0.011 0.000 0.900 357 N CB 0.805 39.282 38.487 -0.017 0.000 1.089 357 N HN 0.519 nan 8.380 nan 0.000 0.449 358 V N 0.147 120.097 119.914 0.060 0.000 2.962 358 V HA 0.754 4.874 4.120 0.000 0.000 0.313 358 V C 0.394 176.648 176.094 0.265 0.000 1.099 358 V CA -0.817 61.550 62.300 0.111 0.000 0.971 358 V CB 2.085 33.926 31.823 0.029 0.000 1.028 358 V HN 0.811 nan 8.190 nan 0.000 0.430 359 G N 0.690 109.644 108.800 0.256 0.000 2.660 359 G HA2 0.672 4.632 3.960 0.000 0.000 0.294 359 G HA3 0.672 4.632 3.960 0.000 0.000 0.294 359 G C -2.051 173.012 174.900 0.272 0.000 1.369 359 G CA -0.607 44.617 45.100 0.206 0.000 0.912 359 G HN 0.489 nan 8.290 nan 0.000 0.479 360 F N 1.695 121.646 119.950 0.001 0.000 2.408 360 F HA 0.651 5.178 4.527 0.000 0.000 0.344 360 F C -0.225 175.556 175.800 -0.031 0.000 1.112 360 F CA -0.500 57.533 58.000 0.054 0.000 1.096 360 F CB 1.752 40.730 39.000 -0.038 0.000 1.129 360 F HN 0.282 nan 8.300 nan 0.000 0.486 361 V N 6.492 126.133 119.914 -0.455 0.000 2.555 361 V HA 0.584 4.704 4.120 0.000 0.000 0.302 361 V C -0.818 175.064 176.094 -0.354 0.000 1.038 361 V CA -0.872 61.269 62.300 -0.264 0.000 0.887 361 V CB 1.583 33.322 31.823 -0.140 0.000 0.991 361 V HN 0.568 nan 8.190 nan 0.000 0.434 362 V N 3.865 123.667 119.914 -0.186 0.000 2.577 362 V HA 0.469 4.589 4.120 0.000 0.000 0.303 362 V C -0.370 175.517 176.094 -0.345 0.000 1.042 362 V CA -0.627 61.487 62.300 -0.310 0.000 0.872 362 V CB 2.023 33.669 31.823 -0.294 0.000 0.998 362 V HN 0.897 nan 8.190 nan 0.000 0.423 363 N N 6.797 125.151 118.700 -0.576 0.000 2.558 363 N HA 0.370 5.110 4.740 0.000 0.000 0.242 363 N C -2.759 172.459 175.510 -0.485 0.000 0.979 363 N CA -1.623 51.067 53.050 -0.600 0.000 0.931 363 N CB 2.535 40.349 38.487 -1.122 0.000 1.122 363 N HN 0.343 nan 8.380 nan 0.000 0.508 364 P HA 0.130 nan 4.420 nan 0.000 0.275 364 P C 0.174 177.401 177.300 -0.121 0.000 1.228 364 P CA -0.153 62.809 63.100 -0.230 0.000 0.786 364 P CB 2.071 33.630 31.700 -0.234 0.000 0.927 365 K N 1.415 121.789 120.400 -0.044 0.000 2.168 365 K HA 0.088 4.408 4.320 0.000 0.000 0.201 365 K C 0.035 176.634 176.600 -0.002 0.000 1.049 365 K CA 0.935 57.206 56.287 -0.026 0.000 0.974 365 K CB 0.286 32.781 32.500 -0.008 0.000 0.792 365 K HN 0.426 nan 8.250 nan 0.000 0.463 366 T N 0.810 115.383 114.554 0.032 0.000 2.886 366 T HA 0.435 4.785 4.350 0.000 0.000 0.292 366 T C -1.457 173.274 174.700 0.051 0.000 1.012 366 T CA -0.700 61.409 62.100 0.015 0.000 0.982 366 T CB 2.298 71.157 68.868 -0.015 0.000 1.018 366 T HN -0.175 nan 8.240 nan 0.000 0.451 367 V N 4.320 124.243 119.914 0.015 0.000 2.447 367 V HA 0.404 4.524 4.120 0.000 0.000 0.292 367 V C -0.267 175.802 176.094 -0.041 0.000 1.021 367 V CA -1.130 61.184 62.300 0.025 0.000 0.850 367 V CB 1.474 33.307 31.823 0.017 0.000 1.005 367 V HN 0.770 nan 8.190 nan 0.000 0.426 368 N N 2.580 121.224 118.700 -0.094 0.000 2.379 368 N HA 0.293 5.033 4.740 0.000 0.000 0.260 368 N C 0.037 175.498 175.510 -0.082 0.000 1.254 368 N CA -0.607 52.382 53.050 -0.103 0.000 0.958 368 N CB 0.532 38.926 38.487 -0.155 0.000 1.208 368 N HN 0.542 nan 8.380 nan 0.000 0.532 369 Q N 1.143 120.901 119.800 -0.070 0.000 2.364 369 Q HA 0.063 4.403 4.340 0.000 0.000 0.267 369 Q C -0.010 175.953 176.000 -0.062 0.000 0.999 369 Q CA 0.344 56.115 55.803 -0.053 0.000 0.886 369 Q CB 0.133 28.846 28.738 -0.042 0.000 1.243 369 Q HN 0.482 nan 8.270 nan 0.000 0.415 370 N N -1.296 117.376 118.700 -0.046 0.000 2.776 370 N HA -0.182 4.558 4.740 0.000 0.000 0.249 370 N C -0.710 174.764 175.510 -0.059 0.000 1.111 370 N CA 0.989 54.014 53.050 -0.042 0.000 0.711 370 N CB -1.288 37.176 38.487 -0.037 0.000 1.065 370 N HN 0.671 nan 8.380 nan 0.000 0.556 371 A N 0.813 123.597 122.820 -0.061 0.000 2.371 371 A HA 0.659 4.979 4.320 0.000 0.000 0.257 371 A C 0.887 178.456 177.584 -0.025 0.000 1.089 371 A CA 0.133 52.144 52.037 -0.043 0.000 0.794 371 A CB 0.652 19.666 19.000 0.023 0.000 1.029 371 A HN 0.471 nan 8.150 nan 0.000 0.488 372 R N 0.803 121.317 120.500 0.024 0.000 2.712 372 R HA 0.616 4.956 4.340 0.000 0.000 0.272 372 R C -2.117 174.222 176.300 0.064 0.000 1.032 372 R CA -0.926 55.170 56.100 -0.005 0.000 0.874 372 R CB 0.921 31.240 30.300 0.032 0.000 1.256 372 R HN 0.469 nan 8.270 nan 0.000 0.468 373 L N 2.603 123.845 121.223 0.032 0.000 2.296 373 L HA 0.487 4.827 4.340 0.000 0.000 0.286 373 L C -0.762 176.189 176.870 0.134 0.000 1.023 373 L CA -1.052 53.841 54.840 0.089 0.000 0.812 373 L CB 1.674 43.790 42.059 0.096 0.000 1.223 373 L HN 0.461 nan 8.230 nan 0.000 0.421 374 L N 4.859 126.178 121.223 0.159 0.000 2.265 374 L HA 0.458 4.798 4.340 0.000 0.000 0.289 374 L C -0.201 176.749 176.870 0.133 0.000 1.033 374 L CA -0.317 54.650 54.840 0.211 0.000 0.814 374 L CB 1.306 43.569 42.059 0.340 0.000 1.203 374 L HN 0.479 nan 8.230 nan 0.000 0.423 375 M N 2.566 122.166 119.600 -0.001 0.000 2.363 375 M HA 0.517 4.997 4.480 0.000 0.000 0.343 375 M C 0.270 176.286 176.300 -0.473 0.000 1.165 375 M CA -0.375 54.740 55.300 -0.307 0.000 1.046 375 M CB 1.580 33.920 32.600 -0.432 0.000 1.648 375 M HN 0.582 nan 8.290 nan 0.000 0.452 376 G N 2.889 111.261 108.800 -0.713 0.000 2.544 376 G HA2 0.696 4.656 3.960 0.000 0.000 0.313 376 G HA3 0.696 4.656 3.960 0.000 0.000 0.313 376 G C -1.886 172.606 174.900 -0.679 0.000 1.316 376 G CA -0.240 44.223 45.100 -1.063 0.000 0.944 376 G HN 0.594 nan 8.290 nan 0.000 0.489 377 Y N 0.159 120.487 120.300 0.046 0.000 2.485 377 Y HA 0.581 5.131 4.550 0.000 0.000 0.345 377 Y C 0.241 176.392 175.900 0.419 0.000 0.998 377 Y CA -0.943 57.381 58.100 0.373 0.000 1.059 377 Y CB 2.847 41.648 38.460 0.569 0.000 1.234 377 Y HN 0.503 nan 8.280 nan 0.000 0.461 378 E N 2.579 123.112 120.200 0.556 0.000 2.199 378 E HA 0.453 4.803 4.350 0.000 0.000 0.265 378 E C -1.859 174.907 176.600 0.277 0.000 0.882 378 E CA -0.691 55.877 56.400 0.280 0.000 0.759 378 E CB 1.314 31.201 29.700 0.312 0.000 1.148 378 E HN 0.570 nan 8.360 nan 0.000 0.412 379 Y N 1.662 121.972 120.300 0.017 0.000 2.638 379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 379 Y C -1.900 173.965 175.900 -0.057 0.000 1.155 379 Y CA -1.479 56.529 58.100 -0.153 0.000 1.046 379 Y CB 0.999 39.207 38.460 -0.420 0.000 1.303 379 Y HN 0.301 nan 8.280 nan 0.000 0.460 380 F N 0.853 120.912 119.950 0.182 0.000 2.480 380 F HA 0.709 5.236 4.527 0.000 0.000 0.329 380 F C 0.189 176.061 175.800 0.119 0.000 1.091 380 F CA -0.914 57.143 58.000 0.095 0.000 0.972 380 F CB 2.530 41.530 39.000 -0.001 0.000 1.150 380 F HN 0.737 nan 8.300 nan 0.000 0.467 381 T N 1.122 115.839 114.554 0.273 0.000 2.885 381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 381 T C -1.125 173.640 174.700 0.108 0.000 1.387 381 T CA -0.564 61.649 62.100 0.189 0.000 1.041 381 T CB 1.479 70.437 68.868 0.151 0.000 1.287 381 T HN 0.480 nan 8.240 nan 0.000 0.491 382 S N 2.324 118.087 115.700 0.105 0.000 2.548 382 S HA 0.249 4.719 4.470 0.000 0.000 0.277 382 S C 1.503 176.136 174.600 0.056 0.000 1.315 382 S CA -0.594 57.642 58.200 0.059 0.000 1.050 382 S CB 1.043 64.280 63.200 0.061 0.000 0.918 382 S HN 0.660 nan 8.310 nan 0.000 0.497 383 R N 1.844 122.362 120.500 0.029 0.000 2.083 383 R HA -0.109 4.231 4.340 0.000 0.000 0.237 383 R C 1.234 177.558 176.300 0.042 0.000 1.137 383 R CA 1.580 57.695 56.100 0.026 0.000 0.951 383 R CB -0.661 29.655 30.300 0.026 0.000 0.851 383 R HN 0.773 nan 8.270 nan 0.000 0.434 384 T N 0.700 115.279 114.554 0.041 0.000 3.151 384 T HA 0.526 4.876 4.350 0.000 0.000 0.332 384 T C -0.181 174.548 174.700 0.048 0.000 1.245 384 T CA 0.290 62.415 62.100 0.041 0.000 1.019 384 T CB 0.107 68.995 68.868 0.034 0.000 1.109 384 T HN 0.364 nan 8.240 nan 0.000 0.621 385 E N 0.000 120.234 120.200 0.056 0.000 2.725 385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 385 E CA 0.000 nan 56.400 nan 0.000 0.976 385 E CB 0.000 nan 29.700 nan 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440