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 2zrx_1_C DATA FIRST_RESID 3 DATA SEQUENCE DIVNRKVEHV EIAAFENVDG LSSSTFLNDV ILVHQGFPGI SFSEINTKTK DATA SEQUENCE FFRKEISVPV MVTGMTGGRN ELGRINKIIA EVAEKFGIPM GVGSQRVAIE DATA SEQUENCE KAEARESFAI VRKVAPTIPI IANLGMPQLV KGYGLKEFQD AIQMIEADAI DATA SEQUENCE AVHLNPAQEV FQPEGEPEYQ IYALEKLRDI SKELSVPIIV KESGNGISME DATA SEQUENCE TAKLLYSYGI KNFDTSGQGG TNWIAIEMIR DIRRGNWKAE SAKNFLDWGV DATA SEQUENCE PTAASIMEVR YSVPDSFLVG SGGIRSGLDA AKAIALGADI AGMALPVLKS DATA SEQUENCE AIEGKESLEQ FFRKIIFELK AAMMLTGSKD VDALKKTSIV ILGKLKEWAE DATA SEQUENCE YRGINLSIYE KVRK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.298 176.300 -0.003 0.000 2.045 3 D CA 0.000 54.002 54.000 0.004 0.000 0.868 3 D CB 0.000 40.802 40.800 0.003 0.000 0.688 4 I N -0.369 120.204 120.570 0.005 0.000 2.676 4 I HA -0.013 4.157 4.170 -0.000 0.000 0.259 4 I C 1.887 178.000 176.117 -0.005 0.000 1.194 4 I CA 1.271 62.571 61.300 0.001 0.000 1.473 4 I CB -0.049 37.962 38.000 0.020 0.000 1.096 4 I HN 0.033 nan 8.210 nan 0.000 0.443 5 V N 0.276 120.195 119.914 0.008 0.000 2.809 5 V HA -0.130 3.990 4.120 -0.000 0.000 0.256 5 V C 2.148 178.235 176.094 -0.011 0.000 1.080 5 V CA 2.110 64.416 62.300 0.010 0.000 1.102 5 V CB -1.316 30.522 31.823 0.025 0.000 0.705 5 V HN 0.591 nan 8.190 nan 0.000 0.475 6 N N 0.966 119.655 118.700 -0.018 0.000 2.142 6 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 6 N C 2.095 177.566 175.510 -0.064 0.000 1.023 6 N CA 1.766 54.801 53.050 -0.025 0.000 0.852 6 N CB -0.417 38.061 38.487 -0.014 0.000 0.998 6 N HN 0.562 nan 8.380 nan 0.000 0.424 7 R N 0.387 120.822 120.500 -0.107 0.000 2.091 7 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 7 R C 1.592 177.660 176.300 -0.387 0.000 1.136 7 R CA 1.449 57.393 56.100 -0.259 0.000 0.959 7 R CB -0.042 30.103 30.300 -0.258 0.000 0.856 7 R HN 0.010 nan 8.270 nan 0.000 0.437 8 K N -0.147 120.142 120.400 -0.185 0.000 2.032 8 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 8 K C 1.884 178.481 176.600 -0.004 0.000 1.048 8 K CA 1.534 57.784 56.287 -0.061 0.000 0.927 8 K CB -0.406 32.101 32.500 0.013 0.000 0.712 8 K HN 0.036 nan 8.250 nan 0.000 0.441 9 V N 0.948 120.856 119.914 -0.011 0.000 2.307 9 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 9 V C 2.051 178.169 176.094 0.040 0.000 1.045 9 V CA 1.724 64.036 62.300 0.021 0.000 1.024 9 V CB -0.368 31.465 31.823 0.017 0.000 0.651 9 V HN 0.371 nan 8.190 nan 0.000 0.449 10 E N -0.702 119.505 120.200 0.011 0.000 2.085 10 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 10 E C 2.106 178.786 176.600 0.133 0.000 0.994 10 E CA 1.658 58.086 56.400 0.046 0.000 0.801 10 E CB -0.220 29.488 29.700 0.014 0.000 0.743 10 E HN 0.751 nan 8.360 nan 0.000 0.453 11 H N -0.370 118.756 119.070 0.094 0.000 2.290 11 H HA -0.134 4.422 4.556 0.000 0.000 0.298 11 H C 2.344 177.699 175.328 0.045 0.000 1.087 11 H CA 1.312 57.443 56.048 0.139 0.000 1.291 11 H CB 0.095 30.037 29.762 0.299 0.000 1.369 11 H HN -0.003 nan 8.280 nan 0.000 0.492 12 V N 1.039 121.056 119.914 0.171 0.000 2.332 12 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 12 V C 2.384 178.438 176.094 -0.067 0.000 1.055 12 V CA 2.109 64.425 62.300 0.027 0.000 1.038 12 V CB -0.447 31.385 31.823 0.015 0.000 0.651 12 V HN 0.529 nan 8.190 nan 0.000 0.450 13 E N 0.057 120.273 120.200 0.026 0.000 2.106 13 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 13 E C 2.172 178.823 176.600 0.085 0.000 0.984 13 E CA 1.555 58.021 56.400 0.111 0.000 0.806 13 E CB -0.084 29.719 29.700 0.172 0.000 0.750 13 E HN 0.633 nan 8.360 nan 0.000 0.458 14 I N 1.159 121.744 120.570 0.025 0.000 2.193 14 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 14 I C 2.757 178.794 176.117 -0.133 0.000 1.084 14 I CA 0.934 62.219 61.300 -0.025 0.000 1.365 14 I CB -0.427 37.553 38.000 -0.033 0.000 1.064 14 I HN 0.108 nan 8.210 nan 0.000 0.410 15 A N 0.947 123.644 122.820 -0.207 0.000 1.892 15 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 15 A C 2.499 179.915 177.584 -0.281 0.000 1.188 15 A CA 2.444 54.309 52.037 -0.288 0.000 0.631 15 A CB -1.036 17.796 19.000 -0.280 0.000 0.822 15 A HN 0.460 nan 8.150 nan 0.000 0.447 16 A N -1.886 120.705 122.820 -0.381 0.000 1.897 16 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 16 A C 1.754 178.995 177.584 -0.571 0.000 1.181 16 A CA 1.397 53.062 52.037 -0.620 0.000 0.620 16 A CB -0.450 17.916 19.000 -1.056 0.000 0.821 16 A HN 0.562 nan 8.150 nan 0.000 0.443 17 F N -0.503 119.409 119.950 -0.064 0.000 2.706 17 F HA 0.277 4.804 4.527 -0.000 0.000 0.313 17 F C 0.755 176.521 175.800 -0.056 0.000 1.096 17 F CA -0.385 57.583 58.000 -0.054 0.000 1.219 17 F CB 0.536 39.511 39.000 -0.041 0.000 1.051 17 F HN 0.075 nan 8.300 nan 0.000 0.568 18 E N 0.423 120.654 120.200 0.051 0.000 2.281 18 E HA 0.166 4.516 4.350 -0.000 0.000 0.257 18 E C -0.835 175.738 176.600 -0.045 0.000 0.971 18 E CA -0.979 55.425 56.400 0.008 0.000 0.839 18 E CB 1.174 30.872 29.700 -0.004 0.000 1.238 18 E HN -0.187 nan 8.360 nan 0.000 0.412 19 N N 1.297 119.971 118.700 -0.043 0.000 2.807 19 N HA 0.040 4.780 4.740 -0.000 0.000 0.259 19 N C -0.078 175.381 175.510 -0.084 0.000 1.149 19 N CA 0.021 53.038 53.050 -0.055 0.000 1.042 19 N CB -0.021 38.444 38.487 -0.036 0.000 1.367 19 N HN 0.342 nan 8.380 nan 0.000 0.516 20 V N -1.292 118.550 119.914 -0.119 0.000 3.382 20 V HA 0.329 4.449 4.120 -0.000 0.000 0.296 20 V C 0.314 176.310 176.094 -0.163 0.000 1.529 20 V CA -0.467 61.737 62.300 -0.161 0.000 1.048 20 V CB -0.052 31.623 31.823 -0.246 0.000 0.878 20 V HN 0.222 nan 8.190 nan 0.000 0.442 21 D N 2.542 122.864 120.400 -0.130 0.000 2.359 21 D HA 0.437 5.077 4.640 -0.000 0.000 0.250 21 D C 1.482 177.740 176.300 -0.071 0.000 1.264 21 D CA 1.468 55.404 54.000 -0.106 0.000 0.911 21 D CB 0.324 41.070 40.800 -0.090 0.000 1.056 21 D HN 0.739 nan 8.370 nan 0.000 0.499 22 G N 3.571 112.332 108.800 -0.066 0.000 2.153 22 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.252 22 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.252 22 G C 0.429 175.308 174.900 -0.035 0.000 0.994 22 G CA 0.190 45.266 45.100 -0.040 0.000 0.698 22 G HN 0.576 nan 8.290 nan 0.000 0.521 23 L N 1.170 122.362 121.223 -0.050 0.000 2.654 23 L HA 0.419 4.759 4.340 -0.000 0.000 0.271 23 L C 1.391 178.245 176.870 -0.026 0.000 1.169 23 L CA 1.708 56.523 54.840 -0.043 0.000 0.947 23 L CB -0.118 41.905 42.059 -0.061 0.000 1.232 23 L HN 0.768 nan 8.230 nan 0.000 0.486 24 S N 1.529 117.221 115.700 -0.014 0.000 3.319 24 S HA -0.213 4.257 4.470 -0.000 0.000 0.319 24 S C 0.462 175.067 174.600 0.008 0.000 1.236 24 S CA 1.180 59.379 58.200 -0.002 0.000 0.964 24 S CB -1.912 61.286 63.200 -0.003 0.000 1.040 24 S HN 1.032 nan 8.310 nan 0.000 0.620 25 S N -0.761 114.940 115.700 0.002 0.000 2.715 25 S HA 0.876 5.346 4.470 -0.000 0.000 0.307 25 S C -0.466 174.140 174.600 0.010 0.000 1.119 25 S CA -0.114 58.087 58.200 0.001 0.000 0.937 25 S CB 2.458 65.651 63.200 -0.011 0.000 1.150 25 S HN 0.600 nan 8.310 nan 0.000 0.521 26 S N -0.386 115.315 115.700 0.002 0.000 2.543 26 S HA 0.475 4.945 4.470 -0.000 0.000 0.271 26 S C 0.557 175.156 174.600 -0.001 0.000 1.148 26 S CA -0.055 58.178 58.200 0.054 0.000 0.914 26 S CB 1.231 64.543 63.200 0.185 0.000 1.096 26 S HN 1.078 nan 8.310 nan 0.000 0.471 27 T N 1.377 115.950 114.554 0.031 0.000 3.055 27 T HA 0.198 4.548 4.350 -0.000 0.000 0.265 27 T C 1.111 175.851 174.700 0.067 0.000 1.111 27 T CA 0.827 62.916 62.100 -0.017 0.000 1.118 27 T CB -0.842 68.025 68.868 -0.001 0.000 0.909 27 T HN 0.897 nan 8.240 nan 0.000 0.501 28 F N -0.571 119.312 119.950 -0.111 0.000 2.871 28 F HA -0.263 4.264 4.527 0.000 0.000 0.326 28 F C 1.343 177.086 175.800 -0.095 0.000 0.675 28 F CA -0.068 57.861 58.000 -0.119 0.000 1.188 28 F CB -1.801 37.084 39.000 -0.193 0.000 1.567 28 F HN 0.186 nan 8.300 nan 0.000 0.325 29 L N -0.216 121.062 121.223 0.091 0.000 2.141 29 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 29 L C 2.117 178.993 176.870 0.011 0.000 1.094 29 L CA 1.366 56.227 54.840 0.034 0.000 0.763 29 L CB -0.519 41.552 42.059 0.020 0.000 0.908 29 L HN 0.224 nan 8.230 nan 0.000 0.437 30 N N 0.513 119.217 118.700 0.005 0.000 2.111 30 N HA -0.249 4.491 4.740 -0.000 0.000 0.197 30 N C 1.168 176.651 175.510 -0.045 0.000 1.011 30 N CA 1.733 54.769 53.050 -0.023 0.000 0.880 30 N CB -0.278 38.186 38.487 -0.039 0.000 1.031 30 N HN 0.325 nan 8.380 nan 0.000 0.444 31 D N -0.578 119.782 120.400 -0.066 0.000 2.349 31 D HA 0.058 4.698 4.640 -0.000 0.000 0.224 31 D C -0.256 176.018 176.300 -0.044 0.000 1.029 31 D CA 0.154 54.103 54.000 -0.085 0.000 0.879 31 D CB 0.384 41.089 40.800 -0.158 0.000 0.906 31 D HN -0.007 nan 8.370 nan 0.000 0.528 32 V N 1.801 121.703 119.914 -0.021 0.000 2.370 32 V HA 0.352 4.472 4.120 -0.000 0.000 0.283 32 V C 0.149 176.243 176.094 -0.000 0.000 1.023 32 V CA -0.620 61.678 62.300 -0.004 0.000 0.857 32 V CB 1.921 33.748 31.823 0.007 0.000 0.985 32 V HN -0.106 nan 8.190 nan 0.000 0.443 33 I N 5.689 126.262 120.570 0.005 0.000 2.436 33 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 33 I C -0.434 175.695 176.117 0.020 0.000 1.010 33 I CA -0.468 60.838 61.300 0.010 0.000 1.098 33 I CB 1.879 39.883 38.000 0.006 0.000 1.266 33 I HN 0.350 nan 8.210 nan 0.000 0.434 34 L N 6.489 127.726 121.223 0.023 0.000 2.319 34 L HA 0.334 4.674 4.340 -0.000 0.000 0.280 34 L C -0.142 176.756 176.870 0.046 0.000 1.099 34 L CA -0.759 54.099 54.840 0.031 0.000 0.828 34 L CB 1.078 43.153 42.059 0.026 0.000 1.150 34 L HN 0.293 nan 8.230 nan 0.000 0.442 35 V N 2.895 122.836 119.914 0.044 0.000 2.470 35 V HA -0.023 4.097 4.120 -0.000 0.000 0.276 35 V C 0.335 176.474 176.094 0.075 0.000 1.040 35 V CA -0.294 62.039 62.300 0.056 0.000 1.008 35 V CB 0.475 32.320 31.823 0.036 0.000 0.990 35 V HN 0.599 nan 8.190 nan 0.000 0.477 36 H N 5.640 124.715 119.070 0.008 0.000 2.848 36 H HA 0.214 4.770 4.556 -0.000 0.000 0.341 36 H C -0.125 175.214 175.328 0.019 0.000 1.060 36 H CA 0.201 56.255 56.048 0.009 0.000 1.444 36 H CB 0.614 30.380 29.762 0.008 0.000 1.446 36 H HN 0.538 nan 8.280 nan 0.000 0.583 37 Q N 4.212 123.650 119.800 -0.603 0.000 2.413 37 Q HA 0.219 4.559 4.340 -0.000 0.000 0.258 37 Q C 1.152 176.801 176.000 -0.584 0.000 1.037 37 Q CA 0.069 55.617 55.803 -0.425 0.000 0.764 37 Q CB 1.624 30.261 28.738 -0.170 0.000 1.217 37 Q HN 1.086 nan 8.270 nan 0.000 0.490 38 G N 1.703 110.231 108.800 -0.452 0.000 2.462 38 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 38 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 38 G C 0.186 175.093 174.900 0.012 0.000 1.121 38 G CA 0.384 45.390 45.100 -0.156 0.000 0.758 38 G HN 0.457 nan 8.290 nan 0.000 0.559 39 F N 1.534 121.423 119.950 -0.102 0.000 2.307 39 F HA 0.486 5.012 4.527 -0.000 0.000 0.369 39 F C -1.444 174.320 175.800 -0.061 0.000 1.076 39 F CA -2.494 55.473 58.000 -0.055 0.000 1.149 39 F CB 2.016 40.997 39.000 -0.032 0.000 1.410 39 F HN -0.105 nan 8.300 nan 0.000 0.481 40 P HA 0.014 nan 4.420 nan 0.000 0.215 40 P C 1.070 178.256 177.300 -0.191 0.000 1.153 40 P CA 2.110 65.080 63.100 -0.217 0.000 0.853 40 P CB 0.123 31.703 31.700 -0.201 0.000 0.788 41 G N -0.956 107.584 108.800 -0.434 0.000 2.157 41 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 41 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 41 G C 0.138 174.984 174.900 -0.090 0.000 0.979 41 G CA 0.254 45.277 45.100 -0.127 0.000 0.650 41 G HN 0.533 nan 8.290 nan 0.000 0.529 42 I N -3.137 117.346 120.570 -0.146 0.000 3.191 42 I HA 0.881 5.051 4.170 -0.000 0.000 0.313 42 I C -0.148 175.924 176.117 -0.075 0.000 1.193 42 I CA -1.198 60.054 61.300 -0.079 0.000 0.968 42 I CB 1.889 39.853 38.000 -0.060 0.000 1.262 42 I HN 0.083 nan 8.210 nan 0.000 0.456 43 S N 0.891 116.575 115.700 -0.027 0.000 2.608 43 S HA 0.442 4.912 4.470 -0.000 0.000 0.291 43 S C 0.391 175.030 174.600 0.066 0.000 1.146 43 S CA -0.526 57.687 58.200 0.022 0.000 1.043 43 S CB 0.868 64.087 63.200 0.031 0.000 1.037 43 S HN 0.638 nan 8.310 nan 0.000 0.520 44 F N 3.362 123.298 119.950 -0.024 0.000 2.161 44 F HA -0.114 4.413 4.527 0.000 0.000 0.300 44 F C 2.502 178.307 175.800 0.008 0.000 1.089 44 F CA 2.235 60.231 58.000 -0.006 0.000 1.282 44 F CB -0.337 38.674 39.000 0.018 0.000 1.010 44 F HN 0.704 nan 8.300 nan 0.000 0.485 45 S N -0.017 115.784 115.700 0.169 0.000 2.453 45 S HA -0.204 4.266 4.470 -0.000 0.000 0.231 45 S C 1.425 176.019 174.600 -0.009 0.000 1.005 45 S CA 0.957 59.213 58.200 0.093 0.000 0.949 45 S CB -0.811 62.459 63.200 0.116 0.000 0.774 45 S HN 0.740 nan 8.310 nan 0.000 0.510 46 E N 0.833 121.018 120.200 -0.024 0.000 2.479 46 E HA 0.278 4.628 4.350 -0.000 0.000 0.193 46 E C 0.014 176.566 176.600 -0.079 0.000 1.049 46 E CA -0.348 56.029 56.400 -0.039 0.000 0.870 46 E CB -0.417 29.271 29.700 -0.019 0.000 0.944 46 E HN 0.513 nan 8.360 nan 0.000 0.492 47 I N 2.553 123.034 120.570 -0.149 0.000 2.598 47 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 47 I C -0.014 176.019 176.117 -0.141 0.000 1.140 47 I CA -0.195 60.997 61.300 -0.180 0.000 1.420 47 I CB 0.153 37.957 38.000 -0.326 0.000 1.387 47 I HN 0.092 nan 8.210 nan 0.000 0.553 48 N N 4.363 123.006 118.700 -0.094 0.000 2.469 48 N HA 0.161 4.901 4.740 -0.000 0.000 0.253 48 N C 0.565 176.042 175.510 -0.056 0.000 0.970 48 N CA -0.563 52.449 53.050 -0.064 0.000 0.940 48 N CB 1.063 39.526 38.487 -0.041 0.000 1.128 48 N HN 0.619 nan 8.380 nan 0.000 0.503 49 T N -0.136 114.388 114.554 -0.050 0.000 3.144 49 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 49 T C 0.543 175.236 174.700 -0.012 0.000 1.089 49 T CA 0.032 62.111 62.100 -0.036 0.000 0.989 49 T CB -0.215 68.631 68.868 -0.037 0.000 0.992 49 T HN 0.298 nan 8.240 nan 0.000 0.540 50 K N 1.316 121.711 120.400 -0.009 0.000 2.355 50 K HA 0.455 4.775 4.320 -0.000 0.000 0.270 50 K C -0.137 176.472 176.600 0.014 0.000 1.003 50 K CA 0.067 56.357 56.287 0.004 0.000 0.957 50 K CB 0.811 33.312 32.500 0.001 0.000 0.939 50 K HN 0.196 nan 8.250 nan 0.000 0.482 51 T N 0.913 115.485 114.554 0.030 0.000 2.802 51 T HA 0.297 4.647 4.350 -0.000 0.000 0.311 51 T C -1.923 172.811 174.700 0.058 0.000 1.405 51 T CA -1.074 61.053 62.100 0.045 0.000 1.016 51 T CB 0.850 69.757 68.868 0.066 0.000 1.352 51 T HN 0.587 nan 8.240 nan 0.000 0.498 52 K N 1.347 121.771 120.400 0.041 0.000 2.174 52 K HA 0.684 5.004 4.320 -0.000 0.000 0.275 52 K C -1.199 175.401 176.600 -0.001 0.000 1.015 52 K CA -0.551 55.747 56.287 0.018 0.000 0.933 52 K CB 0.925 33.406 32.500 -0.032 0.000 1.025 52 K HN 0.388 nan 8.250 nan 0.000 0.463 53 F N 5.294 125.140 119.950 -0.173 0.000 2.676 53 F HA 0.314 4.841 4.527 -0.000 0.000 0.371 53 F C -0.539 175.092 175.800 -0.282 0.000 1.141 53 F CA -0.697 57.113 58.000 -0.318 0.000 1.133 53 F CB 0.027 38.969 39.000 -0.097 0.000 1.376 53 F HN 0.836 nan 8.300 nan 0.000 0.491 54 F N 1.318 120.956 119.950 -0.521 0.000 2.756 54 F HA -0.469 4.058 4.527 0.000 0.000 0.240 54 F C 1.915 177.635 175.800 -0.134 0.000 1.487 54 F CA 1.389 59.184 58.000 -0.342 0.000 1.859 54 F CB -0.746 38.093 39.000 -0.269 0.000 1.319 54 F HN 0.342 nan 8.300 nan 0.000 0.230 55 R N 0.818 121.434 120.500 0.194 0.000 2.240 55 R HA 0.075 4.415 4.340 -0.000 0.000 0.203 55 R C 0.131 176.486 176.300 0.090 0.000 1.011 55 R CA 0.761 56.920 56.100 0.099 0.000 1.007 55 R CB -0.055 30.289 30.300 0.073 0.000 0.911 55 R HN 0.335 nan 8.270 nan 0.000 0.468 56 K N 0.548 121.030 120.400 0.137 0.000 2.132 56 K HA 0.191 4.511 4.320 -0.000 0.000 0.241 56 K C -0.304 176.354 176.600 0.096 0.000 1.000 56 K CA -0.492 55.862 56.287 0.112 0.000 0.911 56 K CB 1.255 33.834 32.500 0.131 0.000 1.093 56 K HN -0.104 nan 8.250 nan 0.000 0.460 57 E N 1.854 122.093 120.200 0.065 0.000 2.195 57 E HA 0.344 4.694 4.350 -0.000 0.000 0.271 57 E C -1.006 175.619 176.600 0.041 0.000 0.923 57 E CA -0.667 55.764 56.400 0.052 0.000 0.790 57 E CB 1.142 30.859 29.700 0.029 0.000 1.155 57 E HN 0.480 nan 8.360 nan 0.000 0.402 58 I N 0.007 120.602 120.570 0.042 0.000 2.797 58 I HA 0.402 4.572 4.170 -0.000 0.000 0.307 58 I C 0.642 176.763 176.117 0.007 0.000 1.033 58 I CA -0.767 60.538 61.300 0.009 0.000 1.071 58 I CB 2.104 40.095 38.000 -0.014 0.000 1.255 58 I HN 0.300 nan 8.210 nan 0.000 0.445 59 S N 2.172 117.868 115.700 -0.007 0.000 2.387 59 S HA 0.087 4.557 4.470 -0.000 0.000 0.226 59 S C 0.619 175.221 174.600 0.004 0.000 1.026 59 S CA 0.532 58.733 58.200 0.001 0.000 0.972 59 S CB -0.111 63.094 63.200 0.009 0.000 0.814 59 S HN 0.502 nan 8.310 nan 0.000 0.477 60 V N 2.472 122.384 119.914 -0.004 0.000 2.925 60 V HA 0.346 4.466 4.120 -0.000 0.000 0.311 60 V C -2.537 173.563 176.094 0.009 0.000 1.104 60 V CA -1.943 60.355 62.300 -0.004 0.000 0.954 60 V CB 2.148 33.959 31.823 -0.021 0.000 1.022 60 V HN -0.024 nan 8.190 nan 0.000 0.427 61 P HA 0.212 nan 4.420 nan 0.000 0.228 61 P C -0.659 176.672 177.300 0.052 0.000 1.748 61 P CA 0.128 63.261 63.100 0.054 0.000 0.909 61 P CB 0.261 31.988 31.700 0.045 0.000 1.882 62 V N 2.375 122.308 119.914 0.033 0.000 2.760 62 V HA 0.538 4.658 4.120 -0.000 0.000 0.309 62 V C 0.202 176.304 176.094 0.013 0.000 1.077 62 V CA -0.765 61.555 62.300 0.034 0.000 0.910 62 V CB 2.480 34.316 31.823 0.022 0.000 1.008 62 V HN 0.246 nan 8.190 nan 0.000 0.424 63 M N 3.464 123.096 119.600 0.054 0.000 2.591 63 M HA 0.839 5.319 4.480 -0.000 0.000 0.306 63 M C -1.513 174.843 176.300 0.093 0.000 1.190 63 M CA -0.745 54.570 55.300 0.026 0.000 0.889 63 M CB 2.224 34.847 32.600 0.039 0.000 1.728 63 M HN 0.240 nan 8.290 nan 0.000 0.458 64 V N 2.762 122.733 119.914 0.094 0.000 2.432 64 V HA 0.312 4.432 4.120 -0.000 0.000 0.271 64 V C 0.652 176.811 176.094 0.108 0.000 1.046 64 V CA -0.245 62.141 62.300 0.142 0.000 0.945 64 V CB 0.731 32.659 31.823 0.174 0.000 0.992 64 V HN 1.030 nan 8.190 nan 0.000 0.471 65 T N 2.499 117.119 114.554 0.110 0.000 2.847 65 T HA 0.562 4.912 4.350 -0.000 0.000 0.279 65 T C 0.658 175.415 174.700 0.096 0.000 0.984 65 T CA -0.167 61.997 62.100 0.107 0.000 0.988 65 T CB 1.356 70.286 68.868 0.104 0.000 1.040 65 T HN 0.874 nan 8.240 nan 0.000 0.528 66 G N -0.050 108.806 108.800 0.094 0.000 2.432 66 G HA2 0.428 4.388 3.960 -0.000 0.000 0.239 66 G HA3 0.428 4.388 3.960 -0.000 0.000 0.239 66 G C 0.081 175.024 174.900 0.072 0.000 1.291 66 G CA -0.430 44.724 45.100 0.090 0.000 0.863 66 G HN 0.821 nan 8.290 nan 0.000 0.560 67 M N 0.050 119.699 119.600 0.082 0.000 2.146 67 M HA 0.213 4.693 4.480 -0.000 0.000 0.194 67 M C 0.862 177.216 176.300 0.090 0.000 1.652 67 M CA 0.316 55.664 55.300 0.080 0.000 0.986 67 M CB 1.101 33.740 32.600 0.065 0.000 1.496 67 M HN 0.594 nan 8.290 nan 0.000 0.576 68 T N -0.939 113.656 114.554 0.069 0.000 2.671 68 T HA 0.718 5.068 4.350 -0.000 0.000 0.300 68 T C -1.575 173.064 174.700 -0.103 0.000 1.238 68 T CA 0.249 62.372 62.100 0.037 0.000 1.020 68 T CB 2.112 70.990 68.868 0.017 0.000 1.503 68 T HN 0.620 nan 8.240 nan 0.000 0.497 69 G N -1.433 107.236 108.800 -0.218 0.000 2.347 69 G HA2 0.471 4.431 3.960 -0.000 0.000 0.321 69 G HA3 0.471 4.431 3.960 -0.000 0.000 0.321 69 G C 0.315 175.055 174.900 -0.266 0.000 1.412 69 G CA 0.558 45.258 45.100 -0.667 0.000 0.990 69 G HN 1.939 nan 8.290 nan 0.000 0.637 70 G N -1.003 107.660 108.800 -0.229 0.000 2.205 70 G HA2 0.174 4.134 3.960 -0.000 0.000 0.180 70 G HA3 0.174 4.134 3.960 -0.000 0.000 0.180 70 G C 0.212 175.120 174.900 0.012 0.000 1.004 70 G CA 0.985 46.121 45.100 0.059 0.000 0.670 70 G HN 1.122 nan 8.290 nan 0.000 0.496 71 R N -1.186 119.284 120.500 -0.049 0.000 2.752 71 R HA 0.315 4.655 4.340 -0.000 0.000 0.277 71 R C 0.644 176.916 176.300 -0.046 0.000 1.024 71 R CA -0.377 55.706 56.100 -0.027 0.000 0.866 71 R CB -0.148 30.145 30.300 -0.012 0.000 1.278 71 R HN 0.004 nan 8.270 nan 0.000 0.473 72 N N 1.489 120.174 118.700 -0.024 0.000 2.028 72 N HA -0.199 4.541 4.740 -0.000 0.000 0.194 72 N C 1.198 176.691 175.510 -0.028 0.000 1.050 72 N CA 1.950 54.986 53.050 -0.024 0.000 0.848 72 N CB -0.172 38.310 38.487 -0.009 0.000 1.038 72 N HN 0.612 nan 8.380 nan 0.000 0.423 73 E N 0.976 121.166 120.200 -0.017 0.000 2.265 73 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 73 E C 1.797 178.382 176.600 -0.026 0.000 0.996 73 E CA 0.703 57.096 56.400 -0.011 0.000 0.832 73 E CB -0.370 29.333 29.700 0.006 0.000 0.756 73 E HN 0.189 nan 8.360 nan 0.000 0.491 74 L N 1.268 122.465 121.223 -0.045 0.000 2.072 74 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 74 L C 2.636 179.436 176.870 -0.117 0.000 1.079 74 L CA 1.955 56.749 54.840 -0.075 0.000 0.752 74 L CB -1.176 40.830 42.059 -0.088 0.000 0.906 74 L HN 0.297 nan 8.230 nan 0.000 0.436 75 G N -0.043 108.681 108.800 -0.127 0.000 2.422 75 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 75 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 75 G C 1.672 176.527 174.900 -0.075 0.000 1.146 75 G CA 0.891 45.911 45.100 -0.134 0.000 0.769 75 G HN 0.484 nan 8.290 nan 0.000 0.547 76 R N 0.187 120.659 120.500 -0.047 0.000 2.189 76 R HA 0.238 4.578 4.340 -0.000 0.000 0.218 76 R C 2.141 178.429 176.300 -0.020 0.000 1.074 76 R CA 0.888 56.974 56.100 -0.024 0.000 0.991 76 R CB -0.584 29.709 30.300 -0.012 0.000 0.883 76 R HN 0.391 nan 8.270 nan 0.000 0.457 77 I N 1.313 121.864 120.570 -0.032 0.000 2.163 77 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 77 I C 1.442 177.543 176.117 -0.026 0.000 1.081 77 I CA 1.338 62.620 61.300 -0.030 0.000 1.353 77 I CB -0.442 37.533 38.000 -0.041 0.000 1.054 77 I HN 0.236 nan 8.210 nan 0.000 0.407 78 N N 0.914 119.585 118.700 -0.048 0.000 2.192 78 N HA -0.232 4.508 4.740 -0.000 0.000 0.188 78 N C 1.713 177.219 175.510 -0.006 0.000 1.013 78 N CA 1.172 54.200 53.050 -0.037 0.000 0.863 78 N CB -0.295 38.136 38.487 -0.093 0.000 0.990 78 N HN 0.321 nan 8.380 nan 0.000 0.430 79 K N 0.702 121.097 120.400 -0.009 0.000 2.001 79 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 79 K C 2.007 178.626 176.600 0.031 0.000 1.048 79 K CA 0.819 57.113 56.287 0.011 0.000 0.932 79 K CB -0.165 32.338 32.500 0.005 0.000 0.715 79 K HN 0.105 nan 8.250 nan 0.000 0.437 80 I N 1.168 121.755 120.570 0.027 0.000 2.163 80 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 80 I C 2.327 178.488 176.117 0.074 0.000 1.085 80 I CA 1.209 62.536 61.300 0.044 0.000 1.347 80 I CB -0.201 37.815 38.000 0.026 0.000 1.044 80 I HN 0.188 nan 8.210 nan 0.000 0.408 81 I N 0.652 121.261 120.570 0.064 0.000 2.099 81 I HA -0.333 3.837 4.170 -0.000 0.000 0.239 81 I C 2.835 179.031 176.117 0.132 0.000 1.066 81 I CA 1.568 62.932 61.300 0.107 0.000 1.324 81 I CB -0.603 37.444 38.000 0.077 0.000 1.037 81 I HN 0.202 nan 8.210 nan 0.000 0.401 82 A N 1.149 124.021 122.820 0.087 0.000 1.892 82 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 82 A C 2.274 179.908 177.584 0.084 0.000 1.188 82 A CA 2.236 54.319 52.037 0.076 0.000 0.631 82 A CB -0.883 18.150 19.000 0.055 0.000 0.822 82 A HN 0.683 nan 8.150 nan 0.000 0.447 83 E N -0.225 120.025 120.200 0.085 0.000 2.106 83 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 83 E C 1.742 178.417 176.600 0.125 0.000 0.984 83 E CA 1.520 57.970 56.400 0.083 0.000 0.806 83 E CB -0.499 29.240 29.700 0.066 0.000 0.750 83 E HN 0.326 nan 8.360 nan 0.000 0.458 84 V N 1.955 121.981 119.914 0.187 0.000 2.379 84 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 84 V C 2.707 178.996 176.094 0.325 0.000 1.044 84 V CA 1.697 64.189 62.300 0.320 0.000 1.036 84 V CB -0.738 31.326 31.823 0.401 0.000 0.664 84 V HN 0.463 nan 8.190 nan 0.000 0.453 85 A N 0.249 123.191 122.820 0.203 0.000 1.908 85 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 85 A C 2.186 179.796 177.584 0.043 0.000 1.181 85 A CA 2.316 54.382 52.037 0.047 0.000 0.627 85 A CB -0.551 18.468 19.000 0.031 0.000 0.818 85 A HN 0.595 nan 8.150 nan 0.000 0.445 86 E N 0.189 120.425 120.200 0.059 0.000 2.023 86 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 86 E C 2.024 178.635 176.600 0.019 0.000 1.003 86 E CA 2.030 58.448 56.400 0.030 0.000 0.809 86 E CB -0.287 29.432 29.700 0.031 0.000 0.755 86 E HN 0.564 nan 8.360 nan 0.000 0.449 87 K N -1.145 119.276 120.400 0.035 0.000 2.113 87 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 87 K C 1.427 177.914 176.600 -0.188 0.000 1.047 87 K CA 1.557 57.802 56.287 -0.071 0.000 0.928 87 K CB -0.246 32.212 32.500 -0.071 0.000 0.716 87 K HN 0.208 nan 8.250 nan 0.000 0.446 88 F N -0.209 119.697 119.950 -0.073 0.000 2.765 88 F HA 0.213 4.739 4.527 -0.000 0.000 0.302 88 F C 1.213 176.930 175.800 -0.137 0.000 1.111 88 F CA 0.504 58.432 58.000 -0.121 0.000 1.359 88 F CB 0.783 39.642 39.000 -0.235 0.000 1.097 88 F HN 0.213 nan 8.300 nan 0.000 0.577 89 G N 2.333 111.142 108.800 0.014 0.000 2.273 89 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.280 89 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.280 89 G C 0.203 175.067 174.900 -0.061 0.000 1.047 89 G CA 0.479 45.565 45.100 -0.024 0.000 0.869 89 G HN 0.506 nan 8.290 nan 0.000 0.502 90 I N -2.208 118.297 120.570 -0.107 0.000 2.441 90 I HA 0.724 4.894 4.170 -0.000 0.000 0.295 90 I C -2.259 173.741 176.117 -0.194 0.000 0.994 90 I CA -3.223 57.969 61.300 -0.181 0.000 1.144 90 I CB 2.333 40.160 38.000 -0.288 0.000 1.314 90 I HN -0.109 nan 8.210 nan 0.000 0.445 91 P HA 0.233 nan 4.420 nan 0.000 0.271 91 P C -1.026 176.162 177.300 -0.186 0.000 1.218 91 P CA -0.343 62.545 63.100 -0.352 0.000 0.780 91 P CB 1.229 32.387 31.700 -0.903 0.000 0.901 92 M N 1.847 121.389 119.600 -0.097 0.000 2.327 92 M HA 0.574 5.054 4.480 -0.000 0.000 0.298 92 M C -0.477 175.853 176.300 0.049 0.000 1.065 92 M CA -0.453 54.849 55.300 0.004 0.000 0.916 92 M CB 2.089 34.709 32.600 0.034 0.000 1.630 92 M HN 0.434 nan 8.290 nan 0.000 0.442 93 G N 2.966 111.817 108.800 0.085 0.000 2.451 93 G HA2 0.610 4.570 3.960 -0.000 0.000 0.303 93 G HA3 0.610 4.570 3.960 -0.000 0.000 0.303 93 G C -0.647 174.324 174.900 0.118 0.000 1.166 93 G CA -0.616 44.553 45.100 0.115 0.000 0.884 93 G HN 0.784 nan 8.290 nan 0.000 0.514 94 V N -0.594 119.407 119.914 0.144 0.000 2.975 94 V HA 0.927 5.047 4.120 -0.000 0.000 0.318 94 V C 1.010 177.233 176.094 0.214 0.000 1.077 94 V CA -0.366 62.055 62.300 0.201 0.000 1.000 94 V CB 1.034 33.057 31.823 0.334 0.000 1.066 94 V HN 1.012 nan 8.190 nan 0.000 0.452 95 G N 0.396 109.360 108.800 0.273 0.000 2.712 95 G HA2 0.312 4.272 3.960 -0.000 0.000 0.258 95 G HA3 0.312 4.272 3.960 -0.000 0.000 0.258 95 G C 0.256 175.327 174.900 0.285 0.000 1.241 95 G CA 0.245 45.493 45.100 0.247 0.000 0.923 95 G HN 1.267 nan 8.290 nan 0.000 0.548 96 S N -1.125 114.686 115.700 0.184 0.000 2.546 96 S HA -0.009 4.461 4.470 -0.000 0.000 0.290 96 S C 1.187 175.798 174.600 0.019 0.000 1.290 96 S CA 0.105 58.374 58.200 0.115 0.000 1.069 96 S CB 0.446 63.737 63.200 0.152 0.000 0.846 96 S HN 0.560 nan 8.310 nan 0.000 0.495 97 Q N 3.055 122.716 119.800 -0.232 0.000 2.360 97 Q HA 0.103 4.443 4.340 -0.000 0.000 0.202 97 Q C 2.037 177.898 176.000 -0.232 0.000 0.915 97 Q CA -0.149 55.322 55.803 -0.553 0.000 0.943 97 Q CB 0.133 28.482 28.738 -0.648 0.000 1.064 97 Q HN 0.740 nan 8.270 nan 0.000 0.511 98 R N 0.495 120.951 120.500 -0.074 0.000 2.115 98 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 98 R C 2.115 178.452 176.300 0.060 0.000 1.133 98 R CA 1.897 58.016 56.100 0.032 0.000 0.935 98 R CB -0.671 29.629 30.300 0.000 0.000 0.853 98 R HN 0.262 nan 8.270 nan 0.000 0.433 99 V N 0.598 120.556 119.914 0.074 0.000 2.546 99 V HA -0.229 3.891 4.120 -0.000 0.000 0.254 99 V C 2.013 178.171 176.094 0.106 0.000 1.076 99 V CA 2.292 64.657 62.300 0.108 0.000 1.087 99 V CB -0.388 31.528 31.823 0.155 0.000 0.674 99 V HN 0.580 nan 8.190 nan 0.000 0.470 100 A N -0.746 122.111 122.820 0.062 0.000 2.072 100 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 100 A C 2.017 179.598 177.584 -0.004 0.000 1.156 100 A CA 1.010 53.073 52.037 0.043 0.000 0.701 100 A CB -0.303 18.657 19.000 -0.066 0.000 0.816 100 A HN 0.478 nan 8.150 nan 0.000 0.458 101 I N 0.303 120.863 120.570 -0.016 0.000 2.286 101 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 101 I C 2.156 178.272 176.117 -0.002 0.000 1.104 101 I CA 1.325 62.613 61.300 -0.020 0.000 1.397 101 I CB -1.312 36.684 38.000 -0.005 0.000 1.072 101 I HN 0.450 nan 8.210 nan 0.000 0.417 102 E N 0.667 120.890 120.200 0.038 0.000 2.152 102 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 102 E C 0.233 176.852 176.600 0.031 0.000 0.983 102 E CA 0.794 57.217 56.400 0.039 0.000 0.818 102 E CB 0.204 29.941 29.700 0.062 0.000 0.758 102 E HN 0.385 nan 8.360 nan 0.000 0.467 103 K N -0.671 119.753 120.400 0.041 0.000 2.578 103 K HA 0.390 4.710 4.320 -0.000 0.000 0.250 103 K C -0.238 176.390 176.600 0.046 0.000 0.955 103 K CA -0.230 56.081 56.287 0.041 0.000 0.825 103 K CB 1.959 34.488 32.500 0.048 0.000 1.151 103 K HN -0.093 nan 8.250 nan 0.000 0.432 104 A N 2.679 125.519 122.820 0.034 0.000 2.070 104 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 104 A C 1.338 178.951 177.584 0.048 0.000 1.159 104 A CA 1.363 53.421 52.037 0.036 0.000 0.656 104 A CB -0.324 18.689 19.000 0.023 0.000 0.800 104 A HN 0.828 nan 8.150 nan 0.000 0.453 105 E N 0.458 120.686 120.200 0.046 0.000 2.153 105 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 105 E C 1.947 178.585 176.600 0.063 0.000 0.988 105 E CA 1.196 57.624 56.400 0.046 0.000 0.811 105 E CB -0.473 29.248 29.700 0.035 0.000 0.746 105 E HN 0.567 nan 8.360 nan 0.000 0.466 106 A N 1.035 123.910 122.820 0.091 0.000 2.119 106 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 106 A C 1.854 179.578 177.584 0.233 0.000 1.153 106 A CA 0.654 52.778 52.037 0.144 0.000 0.692 106 A CB -0.272 18.840 19.000 0.187 0.000 0.799 106 A HN 0.068 nan 8.150 nan 0.000 0.458 107 R N -0.473 120.135 120.500 0.180 0.000 2.127 107 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 107 R C 2.038 178.453 176.300 0.191 0.000 1.134 107 R CA 1.437 57.655 56.100 0.196 0.000 0.975 107 R CB -0.150 30.209 30.300 0.098 0.000 0.865 107 R HN 0.542 nan 8.270 nan 0.000 0.447 108 E N 0.927 121.196 120.200 0.115 0.000 2.072 108 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 108 E C 1.761 178.386 176.600 0.043 0.000 0.985 108 E CA 1.866 58.308 56.400 0.071 0.000 0.801 108 E CB -0.118 29.606 29.700 0.040 0.000 0.750 108 E HN 0.271 nan 8.360 nan 0.000 0.452 109 S N -1.076 114.617 115.700 -0.013 0.000 2.493 109 S HA -0.116 4.354 4.470 -0.000 0.000 0.243 109 S C 1.673 176.085 174.600 -0.313 0.000 0.991 109 S CA 0.933 59.029 58.200 -0.172 0.000 0.957 109 S CB -0.538 62.502 63.200 -0.266 0.000 0.756 109 S HN 0.263 nan 8.310 nan 0.000 0.521 110 F N 1.278 121.240 119.950 0.020 0.000 2.453 110 F HA 0.491 5.018 4.527 -0.000 0.000 0.284 110 F C 2.713 178.524 175.800 0.019 0.000 1.065 110 F CA 0.183 58.195 58.000 0.020 0.000 1.411 110 F CB -0.777 38.234 39.000 0.018 0.000 1.131 110 F HN 0.230 nan 8.300 nan 0.000 0.582 111 A N 0.259 123.201 122.820 0.204 0.000 2.024 111 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 111 A C 2.081 179.711 177.584 0.076 0.000 1.164 111 A CA 1.440 53.548 52.037 0.118 0.000 0.643 111 A CB -1.059 17.995 19.000 0.091 0.000 0.806 111 A HN 0.370 nan 8.150 nan 0.000 0.451 112 I N -0.283 120.321 120.570 0.056 0.000 2.264 112 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 112 I C 2.256 178.396 176.117 0.038 0.000 1.111 112 I CA 1.328 62.648 61.300 0.033 0.000 1.382 112 I CB -0.165 37.841 38.000 0.009 0.000 1.060 112 I HN 0.139 nan 8.210 nan 0.000 0.418 113 V N 0.696 120.639 119.914 0.049 0.000 2.252 113 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 113 V C 2.696 178.821 176.094 0.051 0.000 1.056 113 V CA 2.385 64.717 62.300 0.054 0.000 1.022 113 V CB -0.877 30.992 31.823 0.077 0.000 0.641 113 V HN 0.413 nan 8.190 nan 0.000 0.445 114 R N 0.156 120.690 120.500 0.056 0.000 2.148 114 R HA -0.044 4.296 4.340 -0.000 0.000 0.223 114 R C 2.153 178.475 176.300 0.036 0.000 1.088 114 R CA 1.255 57.382 56.100 0.045 0.000 0.985 114 R CB -0.432 29.895 30.300 0.046 0.000 0.880 114 R HN 0.470 nan 8.270 nan 0.000 0.451 115 K N -0.830 119.592 120.400 0.036 0.000 2.009 115 K HA -0.103 4.217 4.320 -0.000 0.000 0.210 115 K C 1.696 178.312 176.600 0.026 0.000 1.049 115 K CA 1.729 58.034 56.287 0.029 0.000 0.929 115 K CB -0.362 32.154 32.500 0.028 0.000 0.714 115 K HN 0.087 nan 8.250 nan 0.000 0.440 116 V N 0.033 119.964 119.914 0.029 0.000 3.506 116 V HA 0.120 4.240 4.120 -0.000 0.000 0.263 116 V C 0.093 176.205 176.094 0.030 0.000 1.203 116 V CA 0.521 62.838 62.300 0.029 0.000 1.133 116 V CB 0.501 32.343 31.823 0.031 0.000 0.802 116 V HN 0.257 nan 8.190 nan 0.000 0.459 117 A N 0.881 123.720 122.820 0.031 0.000 3.105 117 A HA 0.586 4.906 4.320 -0.000 0.000 0.336 117 A C -1.616 175.983 177.584 0.025 0.000 1.042 117 A CA -0.824 51.230 52.037 0.028 0.000 0.851 117 A CB 0.512 19.531 19.000 0.033 0.000 1.068 117 A HN 0.293 nan 8.150 nan 0.000 0.477 118 P HA -0.094 nan 4.420 nan 0.000 0.225 118 P C 1.238 178.548 177.300 0.018 0.000 1.156 118 P CA 1.854 64.966 63.100 0.020 0.000 0.787 118 P CB 0.191 31.901 31.700 0.016 0.000 0.802 119 T N -2.962 111.600 114.554 0.013 0.000 3.018 119 T HA 0.163 4.513 4.350 -0.000 0.000 0.246 119 T C 1.240 175.946 174.700 0.011 0.000 1.026 119 T CA -0.263 61.844 62.100 0.012 0.000 1.081 119 T CB -0.992 67.880 68.868 0.006 0.000 0.970 119 T HN 0.086 nan 8.240 nan 0.000 0.475 120 I N 0.623 121.194 120.570 0.001 0.000 2.882 120 I HA 0.459 4.629 4.170 -0.000 0.000 0.286 120 I C -2.863 173.247 176.117 -0.012 0.000 1.139 120 I CA -2.593 58.695 61.300 -0.020 0.000 1.379 120 I CB -0.141 37.834 38.000 -0.041 0.000 1.410 120 I HN -0.190 nan 8.210 nan 0.000 0.594 121 P HA 0.213 nan 4.420 nan 0.000 0.267 121 P C -0.806 176.486 177.300 -0.013 0.000 1.209 121 P CA 0.181 63.284 63.100 0.005 0.000 0.763 121 P CB 0.385 32.052 31.700 -0.055 0.000 0.816 122 I N 4.978 125.585 120.570 0.060 0.000 2.441 122 I HA 0.362 4.532 4.170 -0.000 0.000 0.295 122 I C 0.181 176.367 176.117 0.116 0.000 0.994 122 I CA -0.765 60.577 61.300 0.069 0.000 1.144 122 I CB 1.480 39.518 38.000 0.064 0.000 1.314 122 I HN 0.203 nan 8.210 nan 0.000 0.445 123 I N 4.797 125.443 120.570 0.127 0.000 2.410 123 I HA 0.481 4.651 4.170 -0.000 0.000 0.286 123 I C 0.667 176.845 176.117 0.102 0.000 1.009 123 I CA -0.234 61.159 61.300 0.156 0.000 1.111 123 I CB 1.627 39.772 38.000 0.242 0.000 1.262 123 I HN 0.636 nan 8.210 nan 0.000 0.443 124 A N 5.104 127.955 122.820 0.052 0.000 2.366 124 A HA 0.462 4.782 4.320 -0.000 0.000 0.250 124 A C 0.117 177.684 177.584 -0.028 0.000 1.099 124 A CA -0.095 51.935 52.037 -0.013 0.000 0.794 124 A CB 0.265 19.220 19.000 -0.076 0.000 1.056 124 A HN 0.774 nan 8.150 nan 0.000 0.499 125 N N -0.045 118.602 118.700 -0.088 0.000 2.503 125 N HA 0.491 5.231 4.740 -0.000 0.000 0.287 125 N C -1.971 173.442 175.510 -0.162 0.000 1.096 125 N CA -0.236 52.776 53.050 -0.064 0.000 0.936 125 N CB 1.045 39.562 38.487 0.051 0.000 1.570 125 N HN 0.574 nan 8.380 nan 0.000 0.504 126 L N 1.041 122.109 121.223 -0.258 0.000 2.393 126 L HA 0.641 4.981 4.340 -0.000 0.000 0.260 126 L C 0.766 177.300 176.870 -0.559 0.000 1.002 126 L CA -1.115 53.498 54.840 -0.380 0.000 0.818 126 L CB 2.172 43.888 42.059 -0.572 0.000 1.369 126 L HN 0.518 nan 8.230 nan 0.000 0.412 127 G N 0.398 108.782 108.800 -0.693 0.000 2.372 127 G HA2 0.353 4.313 3.960 -0.000 0.000 0.283 127 G HA3 0.353 4.313 3.960 -0.000 0.000 0.283 127 G C 0.514 175.061 174.900 -0.589 0.000 1.177 127 G CA -0.465 43.986 45.100 -1.083 0.000 0.842 127 G HN 0.663 nan 8.290 nan 0.000 0.503 128 M N 3.578 122.890 119.600 -0.480 0.000 2.143 128 M HA -0.052 4.428 4.480 -0.000 0.000 0.258 128 M C -0.393 175.634 176.300 -0.455 0.000 1.071 128 M CA 1.660 56.759 55.300 -0.335 0.000 1.088 128 M CB -0.781 31.700 32.600 -0.198 0.000 1.360 128 M HN 0.373 nan 8.290 nan 0.000 0.404 129 P HA -0.117 nan 4.420 nan 0.000 0.218 129 P C 1.182 178.295 177.300 -0.312 0.000 1.149 129 P CA 1.144 63.974 63.100 -0.450 0.000 0.817 129 P CB -0.132 31.389 31.700 -0.298 0.000 0.785 130 Q N -0.814 118.761 119.800 -0.375 0.000 2.226 130 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 130 Q C 2.040 177.899 176.000 -0.235 0.000 0.975 130 Q CA 1.026 56.539 55.803 -0.483 0.000 0.866 130 Q CB -1.153 26.911 28.738 -1.124 0.000 0.915 130 Q HN 0.284 nan 8.270 nan 0.000 0.440 131 L N -0.474 120.650 121.223 -0.165 0.000 2.201 131 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 131 L C 2.044 178.892 176.870 -0.037 0.000 1.105 131 L CA 0.971 55.773 54.840 -0.063 0.000 0.775 131 L CB -0.391 41.599 42.059 -0.115 0.000 0.913 131 L HN 0.233 nan 8.230 nan 0.000 0.440 132 V N -1.840 118.043 119.914 -0.053 0.000 2.951 132 V HA -0.076 4.044 4.120 -0.000 0.000 0.255 132 V C 1.428 177.569 176.094 0.079 0.000 1.088 132 V CA 0.903 63.239 62.300 0.060 0.000 1.109 132 V CB -0.295 31.532 31.823 0.007 0.000 0.724 132 V HN 0.311 nan 8.190 nan 0.000 0.471 133 K N 1.370 121.793 120.400 0.038 0.000 2.827 133 K HA 0.487 4.807 4.320 -0.000 0.000 0.222 133 K C 0.954 177.652 176.600 0.163 0.000 1.114 133 K CA 0.412 56.741 56.287 0.071 0.000 1.206 133 K CB 0.050 32.566 32.500 0.027 0.000 1.035 133 K HN 0.686 nan 8.250 nan 0.000 0.464 134 G N 0.971 109.876 108.800 0.175 0.000 2.225 134 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.264 134 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.264 134 G C -0.525 174.516 174.900 0.234 0.000 1.060 134 G CA -0.185 45.020 45.100 0.175 0.000 0.833 134 G HN 0.258 nan 8.290 nan 0.000 0.498 135 Y N -0.160 120.158 120.300 0.030 0.000 2.335 135 Y HA 0.640 5.190 4.550 0.000 0.000 0.323 135 Y C 1.105 177.017 175.900 0.020 0.000 1.224 135 Y CA 0.147 58.281 58.100 0.057 0.000 1.241 135 Y CB 1.851 40.381 38.460 0.118 0.000 1.235 135 Y HN 0.460 nan 8.280 nan 0.000 0.492 136 G N 0.533 109.411 108.800 0.130 0.000 2.706 136 G HA2 0.189 4.149 3.960 -0.000 0.000 0.307 136 G HA3 0.189 4.149 3.960 -0.000 0.000 0.307 136 G C 0.058 174.929 174.900 -0.049 0.000 1.307 136 G CA -0.733 44.346 45.100 -0.036 0.000 0.790 136 G HN 0.714 nan 8.290 nan 0.000 0.503 137 L N -0.642 120.508 121.223 -0.122 0.000 2.085 137 L HA -0.201 4.139 4.340 -0.000 0.000 0.218 137 L C 2.712 179.597 176.870 0.025 0.000 1.080 137 L CA 2.415 57.206 54.840 -0.082 0.000 0.776 137 L CB -0.117 41.897 42.059 -0.075 0.000 0.891 137 L HN 0.589 nan 8.230 nan 0.000 0.437 138 K N -0.138 120.269 120.400 0.011 0.000 2.116 138 K HA -0.141 4.179 4.320 -0.000 0.000 0.203 138 K C 1.816 178.432 176.600 0.026 0.000 1.052 138 K CA 1.034 57.326 56.287 0.009 0.000 0.952 138 K CB 0.066 32.551 32.500 -0.025 0.000 0.729 138 K HN 0.230 nan 8.250 nan 0.000 0.446 139 E N -0.462 119.757 120.200 0.032 0.000 2.110 139 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 139 E C 1.644 178.329 176.600 0.142 0.000 0.988 139 E CA 1.244 57.655 56.400 0.019 0.000 0.804 139 E CB -0.240 29.393 29.700 -0.111 0.000 0.745 139 E HN 0.256 nan 8.360 nan 0.000 0.458 140 F N 1.010 120.955 119.950 -0.009 0.000 2.075 140 F HA -0.249 4.278 4.527 0.000 0.000 0.297 140 F C 2.491 178.273 175.800 -0.030 0.000 1.113 140 F CA 1.315 59.307 58.000 -0.012 0.000 1.218 140 F CB -0.177 38.812 39.000 -0.020 0.000 0.984 140 F HN 0.002 nan 8.300 nan 0.000 0.472 141 Q N -0.081 119.813 119.800 0.157 0.000 2.181 141 Q HA -0.243 4.097 4.340 -0.000 0.000 0.205 141 Q C 1.555 177.565 176.000 0.017 0.000 0.980 141 Q CA 1.845 57.684 55.803 0.062 0.000 0.862 141 Q CB -0.269 28.492 28.738 0.038 0.000 0.905 141 Q HN 0.396 nan 8.270 nan 0.000 0.429 142 D N -0.033 120.370 120.400 0.005 0.000 2.088 142 D HA -0.168 4.472 4.640 -0.000 0.000 0.191 142 D C 1.775 178.043 176.300 -0.052 0.000 0.992 142 D CA 1.614 55.597 54.000 -0.028 0.000 0.831 142 D CB -0.206 40.567 40.800 -0.045 0.000 0.973 142 D HN 0.282 nan 8.370 nan 0.000 0.447 143 A N 0.230 122.998 122.820 -0.086 0.000 1.903 143 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 143 A C 2.316 179.844 177.584 -0.093 0.000 1.191 143 A CA 1.614 53.566 52.037 -0.141 0.000 0.638 143 A CB -1.031 17.840 19.000 -0.216 0.000 0.823 143 A HN 0.289 nan 8.150 nan 0.000 0.451 144 I N -0.026 120.509 120.570 -0.058 0.000 2.076 144 I HA -0.336 3.834 4.170 -0.000 0.000 0.237 144 I C 2.769 178.880 176.117 -0.011 0.000 1.059 144 I CA 2.014 63.298 61.300 -0.025 0.000 1.317 144 I CB -0.476 37.523 38.000 -0.002 0.000 1.037 144 I HN 0.600 nan 8.210 nan 0.000 0.398 145 Q N 0.863 120.659 119.800 -0.007 0.000 2.369 145 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 145 Q C 1.988 177.991 176.000 0.005 0.000 0.963 145 Q CA 1.424 57.228 55.803 0.001 0.000 0.894 145 Q CB -0.868 27.871 28.738 0.002 0.000 0.965 145 Q HN 0.589 nan 8.270 nan 0.000 0.475 146 M N 0.680 120.277 119.600 -0.005 0.000 2.279 146 M HA -0.003 4.476 4.480 -0.000 0.000 0.264 146 M C 1.041 177.362 176.300 0.035 0.000 1.062 146 M CA 1.581 56.885 55.300 0.007 0.000 1.099 146 M CB 0.130 32.718 32.600 -0.022 0.000 1.394 146 M HN 0.521 nan 8.290 nan 0.000 0.426 147 I N -3.635 116.955 120.570 0.033 0.000 4.160 147 I HA 0.324 4.494 4.170 -0.000 0.000 0.325 147 I C -0.700 175.443 176.117 0.043 0.000 1.455 147 I CA -0.344 60.990 61.300 0.056 0.000 1.142 147 I CB -0.055 37.995 38.000 0.083 0.000 1.262 147 I HN 0.132 nan 8.210 nan 0.000 0.483 148 E N 2.181 122.399 120.200 0.030 0.000 2.210 148 E HA -0.195 4.155 4.350 -0.000 0.000 0.201 148 E C 0.507 177.126 176.600 0.033 0.000 1.339 148 E CA 0.354 56.770 56.400 0.027 0.000 0.699 148 E CB -0.896 28.821 29.700 0.027 0.000 1.126 148 E HN 0.740 nan 8.360 nan 0.000 0.355 149 A N 0.918 123.757 122.820 0.030 0.000 2.445 149 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 149 A C 0.952 178.562 177.584 0.043 0.000 1.075 149 A CA 0.059 52.122 52.037 0.042 0.000 0.777 149 A CB 0.405 19.422 19.000 0.029 0.000 1.013 149 A HN 0.310 nan 8.150 nan 0.000 0.493 150 D N 0.213 120.660 120.400 0.078 0.000 2.354 150 D HA 0.366 5.006 4.640 -0.000 0.000 0.209 150 D C 0.457 176.767 176.300 0.017 0.000 1.015 150 D CA 1.443 55.492 54.000 0.082 0.000 0.867 150 D CB 0.442 41.348 40.800 0.175 0.000 0.933 150 D HN 0.728 nan 8.370 nan 0.000 0.520 151 A N 0.381 123.222 122.820 0.036 0.000 2.586 151 A HA 0.584 4.904 4.320 -0.000 0.000 0.291 151 A C -1.816 175.781 177.584 0.022 0.000 1.062 151 A CA -0.665 51.340 52.037 -0.052 0.000 0.666 151 A CB 1.239 20.206 19.000 -0.055 0.000 1.281 151 A HN 0.066 nan 8.150 nan 0.000 0.421 152 I N 0.745 121.313 120.570 -0.003 0.000 2.465 152 I HA 0.712 4.882 4.170 -0.000 0.000 0.291 152 I C 0.151 176.283 176.117 0.024 0.000 1.014 152 I CA -0.695 60.602 61.300 -0.005 0.000 1.093 152 I CB 1.648 39.611 38.000 -0.061 0.000 1.267 152 I HN 0.978 nan 8.210 nan 0.000 0.431 153 A N 7.404 130.242 122.820 0.029 0.000 2.260 153 A HA 0.545 4.865 4.320 -0.000 0.000 0.308 153 A C -0.734 176.844 177.584 -0.010 0.000 1.254 153 A CA -0.460 51.610 52.037 0.055 0.000 0.874 153 A CB 1.009 20.071 19.000 0.104 0.000 1.153 153 A HN 0.693 nan 8.150 nan 0.000 0.527 154 V N 5.788 125.703 119.914 0.001 0.000 2.394 154 V HA 0.495 4.615 4.120 -0.000 0.000 0.282 154 V C 0.007 176.101 176.094 -0.001 0.000 1.031 154 V CA -0.660 61.605 62.300 -0.059 0.000 0.881 154 V CB 0.838 32.650 31.823 -0.018 0.000 0.982 154 V HN 0.964 nan 8.190 nan 0.000 0.451 155 H N 6.139 125.202 119.070 -0.012 0.000 2.502 155 H HA 0.514 5.070 4.556 0.000 0.000 0.327 155 H C -1.162 174.203 175.328 0.062 0.000 1.099 155 H CA -1.054 54.997 56.048 0.005 0.000 1.323 155 H CB 1.441 31.174 29.762 -0.048 0.000 1.450 155 H HN 0.646 nan 8.280 nan 0.000 0.502 156 L N 3.961 125.335 121.223 0.251 0.000 2.265 156 L HA 0.140 4.480 4.340 -0.000 0.000 0.288 156 L C 0.130 177.125 176.870 0.208 0.000 1.058 156 L CA -0.630 54.370 54.840 0.267 0.000 0.809 156 L CB 0.681 42.843 42.059 0.171 0.000 1.179 156 L HN 0.744 nan 8.230 nan 0.000 0.429 157 N N 3.020 121.880 118.700 0.267 0.000 2.646 157 N HA 0.155 4.895 4.740 -0.000 0.000 0.296 157 N C -2.440 173.101 175.510 0.053 0.000 1.886 157 N CA -1.465 51.648 53.050 0.104 0.000 0.855 157 N CB 0.540 39.040 38.487 0.022 0.000 1.336 157 N HN 0.178 nan 8.380 nan 0.000 0.496 158 P HA -0.072 nan 4.420 nan 0.000 0.216 158 P C 1.462 178.685 177.300 -0.129 0.000 1.153 158 P CA 1.584 64.501 63.100 -0.305 0.000 0.844 158 P CB 0.223 31.523 31.700 -0.668 0.000 0.787 159 A N 0.680 123.466 122.820 -0.056 0.000 1.859 159 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 159 A C 2.551 180.195 177.584 0.101 0.000 1.209 159 A CA 2.531 54.586 52.037 0.030 0.000 0.639 159 A CB -1.880 17.221 19.000 0.168 0.000 0.835 159 A HN 0.221 nan 8.150 nan 0.000 0.450 160 Q N -1.153 118.715 119.800 0.114 0.000 2.045 160 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 160 Q C 2.033 178.085 176.000 0.086 0.000 0.991 160 Q CA 1.907 57.793 55.803 0.138 0.000 0.851 160 Q CB -0.224 28.545 28.738 0.052 0.000 0.911 160 Q HN 0.664 nan 8.270 nan 0.000 0.418 161 E N -0.134 120.092 120.200 0.043 0.000 2.130 161 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 161 E C 2.141 178.696 176.600 -0.075 0.000 0.998 161 E CA 1.124 57.539 56.400 0.025 0.000 0.806 161 E CB -0.386 29.369 29.700 0.091 0.000 0.738 161 E HN 0.254 nan 8.360 nan 0.000 0.459 162 V N 0.335 120.130 119.914 -0.199 0.000 2.332 162 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 162 V C 1.930 177.676 176.094 -0.580 0.000 1.055 162 V CA 1.760 63.774 62.300 -0.476 0.000 1.038 162 V CB -0.439 30.906 31.823 -0.797 0.000 0.651 162 V HN 0.141 nan 8.190 nan 0.000 0.450 163 F N -1.193 118.658 119.950 -0.165 0.000 2.656 163 F HA 0.234 4.761 4.527 0.000 0.000 0.291 163 F C 1.378 177.113 175.800 -0.108 0.000 1.122 163 F CA -0.278 57.618 58.000 -0.173 0.000 1.427 163 F CB -0.205 38.697 39.000 -0.164 0.000 1.125 163 F HN 0.072 nan 8.300 nan 0.000 0.583 164 Q N 3.312 123.166 119.800 0.090 0.000 2.304 164 Q HA -0.078 4.262 4.340 -0.000 0.000 0.315 164 Q C -1.526 174.481 176.000 0.012 0.000 1.075 164 Q CA -0.907 54.943 55.803 0.079 0.000 0.988 164 Q CB 0.943 29.732 28.738 0.086 0.000 1.146 164 Q HN -0.015 nan 8.270 nan 0.000 0.383 165 P HA -0.206 nan 4.420 nan 0.000 0.215 165 P C 0.296 177.591 177.300 -0.009 0.000 1.157 165 P CA 1.498 64.588 63.100 -0.017 0.000 0.863 165 P CB -0.001 31.699 31.700 0.000 0.000 0.787 166 E N 0.645 120.851 120.200 0.012 0.000 2.394 166 E HA 0.142 4.492 4.350 -0.000 0.000 0.191 166 E C 0.695 177.302 176.600 0.012 0.000 1.044 166 E CA -0.369 56.038 56.400 0.012 0.000 0.939 166 E CB -0.823 28.886 29.700 0.016 0.000 1.089 166 E HN -0.014 nan 8.360 nan 0.000 0.456 167 G N 0.976 109.779 108.800 0.005 0.000 2.491 167 G HA2 0.107 4.067 3.960 -0.000 0.000 0.242 167 G HA3 0.107 4.067 3.960 -0.000 0.000 0.242 167 G C -0.618 174.280 174.900 -0.004 0.000 1.266 167 G CA -0.473 44.631 45.100 0.007 0.000 0.844 167 G HN 0.219 nan 8.290 nan 0.000 0.571 168 E N 1.902 122.108 120.200 0.010 0.000 2.256 168 E HA 0.223 4.573 4.350 -0.000 0.000 0.243 168 E C -2.304 174.318 176.600 0.037 0.000 0.925 168 E CA -1.583 54.820 56.400 0.004 0.000 0.748 168 E CB 2.239 31.931 29.700 -0.014 0.000 1.206 168 E HN 0.254 nan 8.360 nan 0.000 0.428 169 P HA 0.143 nan 4.420 nan 0.000 0.214 169 P C -1.141 176.244 177.300 0.141 0.000 1.849 169 P CA -0.302 62.860 63.100 0.104 0.000 1.022 169 P CB 0.089 31.777 31.700 -0.020 0.000 1.912 170 E N 1.051 121.326 120.200 0.125 0.000 2.182 170 E HA 0.328 4.678 4.350 -0.000 0.000 0.258 170 E C -1.092 175.489 176.600 -0.032 0.000 0.879 170 E CA -0.528 55.909 56.400 0.063 0.000 0.754 170 E CB 1.171 30.861 29.700 -0.017 0.000 1.162 170 E HN 0.204 nan 8.360 nan 0.000 0.419 171 Y N 1.633 121.930 120.300 -0.005 0.000 2.517 171 Y HA 0.169 4.719 4.550 0.000 0.000 0.330 171 Y C -0.276 175.628 175.900 0.006 0.000 0.917 171 Y CA -0.746 57.351 58.100 -0.005 0.000 1.131 171 Y CB 0.712 39.169 38.460 -0.005 0.000 1.175 171 Y HN 0.452 nan 8.280 nan 0.000 0.620 172 Q N 0.533 120.388 119.800 0.091 0.000 2.395 172 Q HA 0.052 4.392 4.340 -0.000 0.000 0.271 172 Q C 1.557 177.604 176.000 0.078 0.000 1.026 172 Q CA 0.166 56.026 55.803 0.095 0.000 0.900 172 Q CB 0.984 29.786 28.738 0.106 0.000 1.266 172 Q HN 0.646 nan 8.270 nan 0.000 0.430 173 I N 1.740 122.356 120.570 0.078 0.000 2.361 173 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 173 I C 1.622 177.749 176.117 0.018 0.000 1.133 173 I CA 1.330 62.646 61.300 0.026 0.000 1.413 173 I CB -0.226 37.815 38.000 0.070 0.000 1.073 173 I HN 0.849 nan 8.210 nan 0.000 0.424 174 Y N 1.356 121.641 120.300 -0.024 0.000 2.133 174 Y HA -0.452 4.098 4.550 0.000 0.000 0.279 174 Y C 2.328 178.193 175.900 -0.059 0.000 1.209 174 Y CA 2.135 60.221 58.100 -0.023 0.000 1.152 174 Y CB -0.462 37.988 38.460 -0.018 0.000 0.961 174 Y HN 0.281 nan 8.280 nan 0.000 0.512 175 A N -0.456 122.227 122.820 -0.229 0.000 2.019 175 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 175 A C 1.969 179.345 177.584 -0.346 0.000 1.164 175 A CA 1.602 53.435 52.037 -0.340 0.000 0.644 175 A CB -0.781 18.102 19.000 -0.196 0.000 0.805 175 A HN 0.481 nan 8.150 nan 0.000 0.449 176 L N -0.286 120.725 121.223 -0.353 0.000 2.072 176 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 176 L C 2.260 178.961 176.870 -0.281 0.000 1.079 176 L CA 1.947 56.502 54.840 -0.475 0.000 0.752 176 L CB -1.144 40.303 42.059 -1.020 0.000 0.906 176 L HN 0.456 nan 8.230 nan 0.000 0.436 177 E N -0.595 119.517 120.200 -0.147 0.000 2.097 177 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 177 E C 2.210 178.721 176.600 -0.147 0.000 1.000 177 E CA 1.674 58.088 56.400 0.024 0.000 0.804 177 E CB -0.081 29.644 29.700 0.042 0.000 0.740 177 E HN 0.315 nan 8.360 nan 0.000 0.454 178 K N 0.449 120.630 120.400 -0.366 0.000 2.025 178 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 178 K C 2.141 178.558 176.600 -0.305 0.000 1.049 178 K CA 0.738 56.793 56.287 -0.387 0.000 0.933 178 K CB -0.111 32.047 32.500 -0.570 0.000 0.714 178 K HN 0.103 nan 8.250 nan 0.000 0.438 179 L N 1.047 122.100 121.223 -0.282 0.000 2.042 179 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 179 L C 2.658 179.423 176.870 -0.175 0.000 1.076 179 L CA 1.662 56.354 54.840 -0.248 0.000 0.749 179 L CB -0.394 41.570 42.059 -0.159 0.000 0.893 179 L HN 0.299 nan 8.230 nan 0.000 0.432 180 R N -0.197 120.250 120.500 -0.087 0.000 2.081 180 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 180 R C 1.811 178.066 176.300 -0.075 0.000 1.131 180 R CA 1.973 58.056 56.100 -0.028 0.000 0.960 180 R CB -0.196 30.157 30.300 0.088 0.000 0.856 180 R HN 0.361 nan 8.270 nan 0.000 0.436 181 D N 0.660 121.001 120.400 -0.099 0.000 2.097 181 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 181 D C 1.970 178.184 176.300 -0.143 0.000 0.989 181 D CA 1.452 55.387 54.000 -0.108 0.000 0.827 181 D CB -0.192 40.543 40.800 -0.108 0.000 0.966 181 D HN 0.348 nan 8.370 nan 0.000 0.456 182 I N 1.222 121.660 120.570 -0.221 0.000 2.361 182 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 182 I C 2.460 178.462 176.117 -0.192 0.000 1.133 182 I CA 1.115 62.244 61.300 -0.284 0.000 1.413 182 I CB -0.255 37.395 38.000 -0.583 0.000 1.073 182 I HN -0.006 nan 8.210 nan 0.000 0.424 183 S N 0.702 116.312 115.700 -0.150 0.000 2.423 183 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 183 S C 2.033 176.586 174.600 -0.079 0.000 1.014 183 S CA 0.673 58.817 58.200 -0.094 0.000 0.965 183 S CB -0.141 63.013 63.200 -0.077 0.000 0.785 183 S HN 0.210 nan 8.310 nan 0.000 0.495 184 K N 1.448 121.800 120.400 -0.081 0.000 2.044 184 K HA 0.011 4.331 4.320 -0.000 0.000 0.210 184 K C 2.030 178.595 176.600 -0.059 0.000 1.049 184 K CA 1.851 58.099 56.287 -0.065 0.000 0.927 184 K CB -0.755 31.707 32.500 -0.063 0.000 0.713 184 K HN 0.539 nan 8.250 nan 0.000 0.443 185 E N -0.540 119.621 120.200 -0.065 0.000 2.472 185 E HA 0.088 4.438 4.350 -0.000 0.000 0.196 185 E C -0.503 176.072 176.600 -0.042 0.000 1.033 185 E CA -0.093 56.275 56.400 -0.053 0.000 0.886 185 E CB 0.271 29.936 29.700 -0.058 0.000 0.944 185 E HN -0.074 nan 8.360 nan 0.000 0.492 186 L N 0.598 121.795 121.223 -0.044 0.000 2.350 186 L HA 0.157 4.497 4.340 -0.000 0.000 0.275 186 L C 1.217 178.067 176.870 -0.034 0.000 1.099 186 L CA 0.312 55.138 54.840 -0.023 0.000 0.808 186 L CB 1.458 43.513 42.059 -0.006 0.000 1.149 186 L HN 0.036 nan 8.230 nan 0.000 0.442 187 S N 1.561 117.245 115.700 -0.027 0.000 2.489 187 S HA 0.086 4.556 4.470 -0.000 0.000 0.228 187 S C 0.415 174.978 174.600 -0.061 0.000 0.995 187 S CA 0.324 58.502 58.200 -0.037 0.000 0.934 187 S CB -0.465 62.721 63.200 -0.024 0.000 0.771 187 S HN 0.426 nan 8.310 nan 0.000 0.522 188 V N -2.141 117.729 119.914 -0.074 0.000 3.046 188 V HA 0.763 4.883 4.120 -0.000 0.000 0.316 188 V C -3.207 172.771 176.094 -0.193 0.000 1.104 188 V CA -2.934 59.285 62.300 -0.135 0.000 1.006 188 V CB 1.044 32.804 31.823 -0.105 0.000 1.058 188 V HN -0.061 nan 8.190 nan 0.000 0.440 189 P HA 0.572 nan 4.420 nan 0.000 0.276 189 P C -0.849 176.296 177.300 -0.258 0.000 1.244 189 P CA -0.399 62.472 63.100 -0.383 0.000 0.801 189 P CB 0.644 31.895 31.700 -0.748 0.000 1.006 190 I N 1.434 121.924 120.570 -0.132 0.000 2.359 190 I HA 0.333 4.503 4.170 -0.000 0.000 0.294 190 I C 0.131 176.244 176.117 -0.008 0.000 0.987 190 I CA -0.556 60.724 61.300 -0.033 0.000 1.225 190 I CB 0.771 38.776 38.000 0.008 0.000 1.366 190 I HN 0.092 nan 8.210 nan 0.000 0.466 191 I N 6.431 127.033 120.570 0.054 0.000 2.377 191 I HA 0.344 4.514 4.170 -0.000 0.000 0.293 191 I C -0.495 175.641 176.117 0.032 0.000 0.987 191 I CA -0.894 60.449 61.300 0.073 0.000 1.185 191 I CB 1.736 39.852 38.000 0.194 0.000 1.341 191 I HN 0.148 nan 8.210 nan 0.000 0.455 192 V N 6.656 126.553 119.914 -0.029 0.000 2.394 192 V HA 0.380 4.500 4.120 -0.000 0.000 0.282 192 V C -0.002 176.173 176.094 0.134 0.000 1.031 192 V CA -0.585 61.746 62.300 0.052 0.000 0.881 192 V CB 1.210 33.067 31.823 0.058 0.000 0.982 192 V HN 0.784 nan 8.190 nan 0.000 0.451 193 K N 3.406 123.891 120.400 0.141 0.000 2.375 193 K HA 0.714 5.034 4.320 -0.000 0.000 0.249 193 K C -0.601 176.080 176.600 0.136 0.000 0.942 193 K CA -0.869 55.504 56.287 0.143 0.000 0.806 193 K CB 2.897 35.471 32.500 0.124 0.000 1.227 193 K HN 0.405 nan 8.250 nan 0.000 0.430 194 E N 0.557 120.823 120.200 0.110 0.000 3.099 194 E HA 0.253 4.603 4.350 -0.000 0.000 0.259 194 E C -0.506 176.113 176.600 0.032 0.000 1.274 194 E CA -0.249 56.201 56.400 0.083 0.000 1.111 194 E CB 1.330 31.076 29.700 0.077 0.000 1.327 194 E HN 0.751 nan 8.360 nan 0.000 0.652 195 S N -1.362 114.340 115.700 0.003 0.000 2.539 195 S HA 0.438 4.908 4.470 -0.000 0.000 0.185 195 S C 0.502 175.154 174.600 0.087 0.000 1.181 195 S CA 0.038 58.183 58.200 -0.092 0.000 1.216 195 S CB 0.268 63.258 63.200 -0.351 0.000 1.476 195 S HN 0.770 nan 8.310 nan 0.000 0.395 196 G N 2.044 110.937 108.800 0.155 0.000 2.176 196 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.232 196 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.232 196 G C 0.499 175.478 174.900 0.133 0.000 0.986 196 G CA 0.241 45.461 45.100 0.199 0.000 0.643 196 G HN 0.578 nan 8.290 nan 0.000 0.522 197 N N 0.699 119.468 118.700 0.115 0.000 2.159 197 N HA 0.390 5.130 4.740 -0.000 0.000 0.217 197 N C 0.999 176.537 175.510 0.046 0.000 1.223 197 N CA 0.897 54.015 53.050 0.114 0.000 0.896 197 N CB 1.571 40.192 38.487 0.223 0.000 1.064 197 N HN 1.545 nan 8.380 nan 0.000 0.518 198 G N 1.837 110.654 108.800 0.027 0.000 2.716 198 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 198 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 198 G C -0.761 174.148 174.900 0.016 0.000 1.337 198 G CA -0.763 44.332 45.100 -0.009 0.000 0.829 198 G HN 0.144 nan 8.290 nan 0.000 0.599 199 I N 1.899 122.474 120.570 0.009 0.000 2.321 199 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 199 I C 1.185 177.303 176.117 0.000 0.000 0.998 199 I CA -0.269 61.044 61.300 0.023 0.000 1.227 199 I CB 1.523 39.543 38.000 0.033 0.000 1.368 199 I HN 0.811 nan 8.210 nan 0.000 0.466 200 S N 6.266 121.983 115.700 0.029 0.000 2.632 200 S HA 0.265 4.735 4.470 -0.000 0.000 0.267 200 S C 1.178 175.793 174.600 0.026 0.000 1.276 200 S CA -0.829 57.402 58.200 0.051 0.000 0.998 200 S CB 1.287 64.529 63.200 0.070 0.000 0.953 200 S HN 0.813 nan 8.310 nan 0.000 0.547 201 M N -0.532 119.097 119.600 0.048 0.000 2.296 201 M HA -0.025 4.455 4.480 -0.000 0.000 0.265 201 M C 1.247 177.569 176.300 0.036 0.000 1.064 201 M CA 1.656 56.975 55.300 0.032 0.000 1.109 201 M CB -0.835 31.812 32.600 0.080 0.000 1.396 201 M HN 0.664 nan 8.290 nan 0.000 0.430 202 E N 1.313 121.545 120.200 0.054 0.000 2.051 202 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 202 E C 2.052 178.698 176.600 0.078 0.000 0.991 202 E CA 2.250 58.689 56.400 0.066 0.000 0.799 202 E CB -0.573 29.167 29.700 0.067 0.000 0.748 202 E HN 0.522 nan 8.360 nan 0.000 0.449 203 T N 0.382 114.979 114.554 0.072 0.000 2.777 203 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 203 T C 1.881 176.648 174.700 0.112 0.000 1.040 203 T CA 1.209 63.366 62.100 0.094 0.000 1.141 203 T CB -0.343 68.578 68.868 0.088 0.000 0.868 203 T HN 0.278 nan 8.240 nan 0.000 0.444 204 A N 1.774 124.605 122.820 0.018 0.000 1.858 204 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 204 A C 2.257 179.884 177.584 0.072 0.000 1.190 204 A CA 1.685 53.650 52.037 -0.119 0.000 0.617 204 A CB -0.477 18.273 19.000 -0.417 0.000 0.827 204 A HN 0.431 nan 8.150 nan 0.000 0.443 205 K N -1.001 119.443 120.400 0.072 0.000 2.103 205 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 205 K C 1.941 178.696 176.600 0.259 0.000 1.048 205 K CA 1.415 57.794 56.287 0.153 0.000 0.930 205 K CB -0.345 32.213 32.500 0.098 0.000 0.716 205 K HN 0.416 nan 8.250 nan 0.000 0.444 206 L N 1.266 122.625 121.223 0.227 0.000 2.005 206 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 206 L C 1.900 178.986 176.870 0.359 0.000 1.072 206 L CA 1.499 56.501 54.840 0.270 0.000 0.744 206 L CB -0.307 41.872 42.059 0.200 0.000 0.895 206 L HN 0.118 nan 8.230 nan 0.000 0.433 207 L N -1.648 119.776 121.223 0.336 0.000 2.079 207 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 207 L C 2.516 179.641 176.870 0.425 0.000 1.081 207 L CA 1.617 56.676 54.840 0.365 0.000 0.752 207 L CB -0.754 41.583 42.059 0.464 0.000 0.896 207 L HN 0.379 nan 8.230 nan 0.000 0.433 208 Y N 0.802 121.322 120.300 0.367 0.000 2.181 208 Y HA -0.289 4.261 4.550 0.000 0.000 0.288 208 Y C 2.927 178.944 175.900 0.195 0.000 1.146 208 Y CA 1.496 59.780 58.100 0.306 0.000 1.164 208 Y CB -0.285 38.338 38.460 0.272 0.000 0.982 208 Y HN 0.267 nan 8.280 nan 0.000 0.515 209 S N -1.347 114.492 115.700 0.232 0.000 2.469 209 S HA -0.221 4.249 4.470 -0.000 0.000 0.238 209 S C 1.078 175.616 174.600 -0.103 0.000 0.998 209 S CA 1.089 59.314 58.200 0.041 0.000 0.957 209 S CB -0.962 62.294 63.200 0.094 0.000 0.764 209 S HN 0.522 nan 8.310 nan 0.000 0.514 210 Y N 1.485 121.773 120.300 -0.020 0.000 2.571 210 Y HA 0.462 5.012 4.550 -0.000 0.000 0.275 210 Y C 1.740 177.586 175.900 -0.089 0.000 1.179 210 Y CA -0.406 57.668 58.100 -0.044 0.000 1.242 210 Y CB 0.228 38.680 38.460 -0.014 0.000 1.126 210 Y HN 0.391 nan 8.280 nan 0.000 0.524 211 G N 0.090 108.848 108.800 -0.070 0.000 2.157 211 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 211 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 211 G C -0.036 174.812 174.900 -0.085 0.000 0.979 211 G CA -0.254 44.764 45.100 -0.136 0.000 0.650 211 G HN 0.122 nan 8.290 nan 0.000 0.529 212 I N 0.667 121.229 120.570 -0.012 0.000 2.416 212 I HA 0.279 4.449 4.170 -0.000 0.000 0.288 212 I C 1.163 177.266 176.117 -0.022 0.000 1.051 212 I CA 0.352 61.615 61.300 -0.060 0.000 1.375 212 I CB 1.224 39.172 38.000 -0.086 0.000 1.407 212 I HN 0.129 nan 8.210 nan 0.000 0.516 213 K N 4.119 124.465 120.400 -0.090 0.000 2.412 213 K HA 0.210 4.530 4.320 -0.000 0.000 0.202 213 K C -0.259 176.364 176.600 0.038 0.000 1.102 213 K CA -0.003 56.362 56.287 0.131 0.000 1.027 213 K CB 0.719 33.325 32.500 0.175 0.000 0.931 213 K HN 0.539 nan 8.250 nan 0.000 0.557 214 N N 0.913 119.455 118.700 -0.264 0.000 2.399 214 N HA 0.330 5.070 4.740 -0.000 0.000 0.280 214 N C -1.196 174.093 175.510 -0.367 0.000 1.008 214 N CA -0.237 52.787 53.050 -0.043 0.000 0.894 214 N CB 1.188 39.866 38.487 0.317 0.000 1.273 214 N HN -0.136 nan 8.380 nan 0.000 0.486 215 F N -0.037 119.965 119.950 0.086 0.000 2.563 215 F HA 0.326 4.853 4.527 -0.000 0.000 0.316 215 F C 0.166 175.957 175.800 -0.014 0.000 1.076 215 F CA -0.940 57.091 58.000 0.051 0.000 0.921 215 F CB 1.976 41.004 39.000 0.047 0.000 1.209 215 F HN 0.207 nan 8.300 nan 0.000 0.462 216 D N 0.485 121.009 120.400 0.206 0.000 2.505 216 D HA 0.202 4.842 4.640 -0.000 0.000 0.250 216 D C 0.808 177.173 176.300 0.109 0.000 1.164 216 D CA -0.361 53.705 54.000 0.111 0.000 0.870 216 D CB 1.561 42.425 40.800 0.107 0.000 1.160 216 D HN 0.606 nan 8.370 nan 0.000 0.549 217 T N 0.691 115.283 114.554 0.064 0.000 2.684 217 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 217 T C 1.168 175.890 174.700 0.036 0.000 1.036 217 T CA 1.021 63.143 62.100 0.037 0.000 1.148 217 T CB -0.575 68.288 68.868 -0.008 0.000 0.863 217 T HN 0.515 nan 8.240 nan 0.000 0.436 218 S N 1.509 117.231 115.700 0.037 0.000 3.292 218 S HA -0.052 4.418 4.470 -0.000 0.000 0.360 218 S C 0.569 175.184 174.600 0.025 0.000 0.930 218 S CA 0.184 58.410 58.200 0.043 0.000 1.317 218 S CB -1.633 61.603 63.200 0.060 0.000 0.920 218 S HN 1.128 nan 8.310 nan 0.000 0.540 219 G N 1.745 110.537 108.800 -0.014 0.000 2.588 219 G HA2 0.505 4.465 3.960 -0.000 0.000 0.281 219 G HA3 0.505 4.465 3.960 -0.000 0.000 0.281 219 G C -0.022 174.851 174.900 -0.045 0.000 1.236 219 G CA -0.268 44.794 45.100 -0.062 0.000 0.969 219 G HN 0.940 nan 8.290 nan 0.000 0.504 220 Q N -1.760 117.984 119.800 -0.093 0.000 2.443 220 Q HA 0.498 4.838 4.340 -0.000 0.000 0.232 220 Q C 0.802 176.755 176.000 -0.078 0.000 1.026 220 Q CA 0.054 55.818 55.803 -0.064 0.000 0.924 220 Q CB 1.057 29.745 28.738 -0.084 0.000 1.256 220 Q HN 1.511 nan 8.270 nan 0.000 0.519 221 G N -0.011 108.763 108.800 -0.043 0.000 2.231 221 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.206 221 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.206 221 G C 0.253 175.141 174.900 -0.021 0.000 0.996 221 G CA -0.233 44.848 45.100 -0.032 0.000 0.645 221 G HN 1.041 nan 8.290 nan 0.000 0.498 222 G N -0.377 108.413 108.800 -0.017 0.000 3.019 222 G HA2 0.523 4.483 3.960 -0.000 0.000 0.152 222 G HA3 0.523 4.483 3.960 -0.000 0.000 0.152 222 G C 0.269 175.140 174.900 -0.047 0.000 1.320 222 G CA 0.542 45.632 45.100 -0.018 0.000 1.013 222 G HN 0.712 nan 8.290 nan 0.000 0.593 223 T N 1.778 116.295 114.554 -0.063 0.000 2.750 223 T HA 0.026 4.376 4.350 -0.000 0.000 0.277 223 T C 0.267 174.844 174.700 -0.205 0.000 0.996 223 T CA 0.307 62.294 62.100 -0.188 0.000 1.195 223 T CB -0.049 68.698 68.868 -0.201 0.000 0.963 223 T HN 0.390 nan 8.240 nan 0.000 0.516 224 N N 2.310 120.844 118.700 -0.276 0.000 2.500 224 N HA 0.118 4.858 4.740 -0.000 0.000 0.236 224 N C 0.180 175.527 175.510 -0.272 0.000 1.022 224 N CA -0.528 52.421 53.050 -0.168 0.000 0.935 224 N CB 0.389 38.807 38.487 -0.115 0.000 1.147 224 N HN 0.690 nan 8.380 nan 0.000 0.512 225 W N 3.151 124.423 121.300 -0.046 0.000 2.467 225 W HA 0.140 4.800 4.660 0.000 0.000 0.275 225 W C 1.850 178.340 176.519 -0.047 0.000 1.239 225 W CA 0.079 57.383 57.345 -0.068 0.000 1.266 225 W CB 0.046 29.460 29.460 -0.076 0.000 1.112 225 W HN 0.547 nan 8.180 nan 0.000 0.576 226 I N 0.041 120.699 120.570 0.147 0.000 2.226 226 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 226 I C 2.575 178.642 176.117 -0.083 0.000 1.100 226 I CA 1.402 62.709 61.300 0.012 0.000 1.374 226 I CB -0.873 37.088 38.000 -0.064 0.000 1.057 226 I HN -0.056 nan 8.210 nan 0.000 0.413 227 A N 0.991 123.753 122.820 -0.096 0.000 1.902 227 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 227 A C 2.316 179.826 177.584 -0.123 0.000 1.181 227 A CA 1.489 53.454 52.037 -0.121 0.000 0.623 227 A CB -0.805 18.116 19.000 -0.131 0.000 0.818 227 A HN 0.369 nan 8.150 nan 0.000 0.443 228 I N -0.310 120.154 120.570 -0.177 0.000 2.179 228 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 228 I C 2.412 178.525 176.117 -0.006 0.000 1.088 228 I CA 1.368 62.563 61.300 -0.176 0.000 1.357 228 I CB -0.311 37.419 38.000 -0.450 0.000 1.051 228 I HN 0.299 nan 8.210 nan 0.000 0.409 229 E N 0.233 120.474 120.200 0.068 0.000 2.150 229 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 229 E C 2.048 178.674 176.600 0.042 0.000 0.985 229 E CA 1.021 57.489 56.400 0.115 0.000 0.814 229 E CB -0.376 29.432 29.700 0.179 0.000 0.752 229 E HN 0.520 nan 8.360 nan 0.000 0.466 230 M N 0.438 120.024 119.600 -0.023 0.000 2.080 230 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 230 M C 2.124 178.409 176.300 -0.026 0.000 1.068 230 M CA 1.495 56.762 55.300 -0.054 0.000 1.109 230 M CB -0.098 32.440 32.600 -0.103 0.000 1.342 230 M HN 0.028 nan 8.290 nan 0.000 0.405 231 I N -0.216 120.340 120.570 -0.023 0.000 2.226 231 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 231 I C 2.431 178.554 176.117 0.011 0.000 1.100 231 I CA 1.266 62.559 61.300 -0.011 0.000 1.374 231 I CB -0.438 37.548 38.000 -0.023 0.000 1.057 231 I HN 0.349 nan 8.210 nan 0.000 0.413 232 R N 0.559 121.077 120.500 0.032 0.000 2.096 232 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 232 R C 1.869 178.185 176.300 0.027 0.000 1.127 232 R CA 1.455 57.582 56.100 0.045 0.000 0.968 232 R CB -0.348 30.002 30.300 0.084 0.000 0.861 232 R HN 0.363 nan 8.270 nan 0.000 0.440 233 D N 0.863 121.272 120.400 0.015 0.000 2.097 233 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 233 D C 1.944 178.246 176.300 0.003 0.000 0.989 233 D CA 1.069 55.066 54.000 -0.006 0.000 0.827 233 D CB -0.227 40.554 40.800 -0.032 0.000 0.966 233 D HN 0.160 nan 8.370 nan 0.000 0.456 234 I N 0.577 121.150 120.570 0.005 0.000 2.151 234 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 234 I C 2.474 178.602 176.117 0.019 0.000 1.080 234 I CA 1.239 62.547 61.300 0.013 0.000 1.339 234 I CB -0.100 37.904 38.000 0.007 0.000 1.039 234 I HN -0.085 nan 8.210 nan 0.000 0.409 235 R N 0.047 120.557 120.500 0.018 0.000 2.148 235 R HA -0.072 4.268 4.340 -0.000 0.000 0.227 235 R C 1.935 178.249 176.300 0.023 0.000 1.103 235 R CA 0.964 57.076 56.100 0.020 0.000 0.983 235 R CB -0.068 30.245 30.300 0.021 0.000 0.874 235 R HN 0.207 nan 8.270 nan 0.000 0.451 236 R N -0.772 119.743 120.500 0.025 0.000 2.388 236 R HA 0.124 4.464 4.340 -0.000 0.000 0.247 236 R C 0.481 176.805 176.300 0.041 0.000 0.931 236 R CA 0.464 56.582 56.100 0.030 0.000 1.082 236 R CB 0.722 31.037 30.300 0.026 0.000 1.135 236 R HN 0.303 nan 8.270 nan 0.000 0.525 237 G N 1.620 110.446 108.800 0.043 0.000 2.337 237 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.290 237 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.290 237 G C -0.144 174.809 174.900 0.089 0.000 1.003 237 G CA 0.455 45.592 45.100 0.061 0.000 0.825 237 G HN 0.388 nan 8.290 nan 0.000 0.509 238 N N 0.664 119.399 118.700 0.058 0.000 2.483 238 N HA 0.069 4.809 4.740 -0.000 0.000 0.264 238 N C 1.763 177.287 175.510 0.022 0.000 1.197 238 N CA -0.233 52.837 53.050 0.034 0.000 0.927 238 N CB 0.096 38.545 38.487 -0.062 0.000 1.065 238 N HN 0.454 nan 8.380 nan 0.000 0.461 239 W N 4.401 125.724 121.300 0.037 0.000 2.465 239 W HA -0.032 4.628 4.660 0.000 0.000 0.268 239 W C 0.765 177.318 176.519 0.058 0.000 1.242 239 W CA 0.096 57.465 57.345 0.040 0.000 1.248 239 W CB -0.537 28.943 29.460 0.033 0.000 1.118 239 W HN 0.495 nan 8.180 nan 0.000 0.587 240 K N 1.150 121.133 120.400 -0.696 0.000 2.281 240 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 240 K C 2.518 179.040 176.600 -0.130 0.000 1.046 240 K CA 1.615 57.580 56.287 -0.536 0.000 0.938 240 K CB -0.411 31.750 32.500 -0.565 0.000 0.737 240 K HN 0.136 nan 8.250 nan 0.000 0.458 241 A N 1.797 124.569 122.820 -0.081 0.000 1.915 241 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 241 A C 1.905 179.484 177.584 -0.009 0.000 1.198 241 A CA 2.065 54.084 52.037 -0.030 0.000 0.647 241 A CB -0.494 18.504 19.000 -0.002 0.000 0.825 241 A HN 0.379 nan 8.150 nan 0.000 0.456 242 E N -0.590 119.637 120.200 0.044 0.000 2.107 242 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 242 E C 2.342 178.993 176.600 0.085 0.000 0.982 242 E CA 1.045 57.484 56.400 0.066 0.000 0.809 242 E CB -0.147 29.615 29.700 0.104 0.000 0.756 242 E HN 0.564 nan 8.360 nan 0.000 0.459 243 S N 0.833 116.608 115.700 0.126 0.000 2.359 243 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 243 S C 2.148 176.841 174.600 0.154 0.000 1.035 243 S CA 1.065 59.395 58.200 0.215 0.000 1.018 243 S CB -0.347 63.004 63.200 0.252 0.000 0.876 243 S HN 0.417 nan 8.310 nan 0.000 0.448 244 A N 1.689 124.433 122.820 -0.126 0.000 1.873 244 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 244 A C 1.996 179.404 177.584 -0.294 0.000 1.193 244 A CA 2.186 53.817 52.037 -0.677 0.000 0.629 244 A CB -0.755 17.929 19.000 -0.527 0.000 0.826 244 A HN 0.493 nan 8.150 nan 0.000 0.447 245 K N -0.349 119.982 120.400 -0.116 0.000 2.144 245 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 245 K C 1.593 178.186 176.600 -0.012 0.000 1.047 245 K CA 2.082 58.340 56.287 -0.050 0.000 0.927 245 K CB -0.336 32.154 32.500 -0.016 0.000 0.716 245 K HN 0.678 nan 8.250 nan 0.000 0.454 246 N N -1.179 117.547 118.700 0.044 0.000 2.512 246 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 246 N C 0.330 175.765 175.510 -0.124 0.000 1.073 246 N CA 0.515 53.563 53.050 -0.005 0.000 0.911 246 N CB 0.148 38.653 38.487 0.031 0.000 0.964 246 N HN 0.086 nan 8.380 nan 0.000 0.447 247 F N -0.095 119.792 119.950 -0.105 0.000 2.654 247 F HA 0.317 4.844 4.527 0.000 0.000 0.303 247 F C 1.137 176.931 175.800 -0.010 0.000 1.099 247 F CA -0.232 57.743 58.000 -0.041 0.000 1.270 247 F CB 0.176 39.051 39.000 -0.208 0.000 1.024 247 F HN -0.024 nan 8.300 nan 0.000 0.548 248 L N 0.475 121.737 121.223 0.066 0.000 2.265 248 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 248 L C 1.351 178.265 176.870 0.073 0.000 1.117 248 L CA 1.284 56.143 54.840 0.033 0.000 0.782 248 L CB -0.245 41.807 42.059 -0.012 0.000 0.914 248 L HN 0.209 nan 8.230 nan 0.000 0.441 249 D N -2.558 117.901 120.400 0.099 0.000 2.501 249 D HA -0.089 4.551 4.640 -0.000 0.000 0.226 249 D C 0.283 176.665 176.300 0.136 0.000 1.198 249 D CA -0.477 53.574 54.000 0.084 0.000 0.830 249 D CB -0.287 40.538 40.800 0.043 0.000 1.014 249 D HN 0.115 nan 8.370 nan 0.000 0.496 250 W N 1.858 123.186 121.300 0.046 0.000 2.181 250 W HA 0.390 5.050 4.660 0.000 0.000 0.335 250 W C 0.356 176.923 176.519 0.079 0.000 1.310 250 W CA 2.018 59.425 57.345 0.104 0.000 1.226 250 W CB 0.903 30.533 29.460 0.283 0.000 1.155 250 W HN 0.268 nan 8.180 nan 0.000 0.565 251 G N 2.292 110.854 108.800 -0.398 0.000 2.355 251 G HA2 0.004 3.964 3.960 -0.000 0.000 0.619 251 G HA3 0.004 3.964 3.960 -0.000 0.000 0.619 251 G C -2.113 172.635 174.900 -0.254 0.000 1.337 251 G CA -1.028 43.936 45.100 -0.227 0.000 0.993 251 G HN 0.541 nan 8.290 nan 0.000 0.599 252 V N 2.130 121.921 119.914 -0.205 0.000 2.432 252 V HA 0.467 4.587 4.120 -0.000 0.000 0.275 252 V C -1.722 174.090 176.094 -0.470 0.000 1.043 252 V CA -1.149 60.949 62.300 -0.337 0.000 0.925 252 V CB 1.523 33.221 31.823 -0.207 0.000 0.985 252 V HN 0.600 nan 8.190 nan 0.000 0.466 253 P HA 0.110 nan 4.420 nan 0.000 0.268 253 P C 1.131 178.130 177.300 -0.501 0.000 1.205 253 P CA 0.176 62.837 63.100 -0.732 0.000 0.771 253 P CB 0.495 31.338 31.700 -1.429 0.000 0.858 254 T N 2.313 116.697 114.554 -0.284 0.000 2.620 254 T HA -0.299 4.051 4.350 -0.000 0.000 0.267 254 T C 1.767 176.358 174.700 -0.181 0.000 1.044 254 T CA 2.422 64.417 62.100 -0.175 0.000 1.161 254 T CB -0.811 68.001 68.868 -0.092 0.000 0.862 254 T HN 0.496 nan 8.240 nan 0.000 0.438 255 A N 1.390 124.111 122.820 -0.165 0.000 1.908 255 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 255 A C 2.677 180.139 177.584 -0.203 0.000 1.181 255 A CA 2.140 54.107 52.037 -0.117 0.000 0.627 255 A CB -1.210 17.772 19.000 -0.031 0.000 0.818 255 A HN 0.558 nan 8.150 nan 0.000 0.445 256 A N -1.047 121.535 122.820 -0.397 0.000 1.902 256 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 256 A C 2.489 179.847 177.584 -0.376 0.000 1.181 256 A CA 2.208 53.884 52.037 -0.602 0.000 0.623 256 A CB -1.005 17.142 19.000 -1.422 0.000 0.818 256 A HN 0.535 nan 8.150 nan 0.000 0.443 257 S N -0.433 115.076 115.700 -0.318 0.000 2.356 257 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 257 S C 1.904 176.447 174.600 -0.095 0.000 1.032 257 S CA 1.421 59.520 58.200 -0.167 0.000 1.005 257 S CB -0.561 62.554 63.200 -0.141 0.000 0.867 257 S HN 0.483 nan 8.310 nan 0.000 0.449 258 I N 1.409 121.929 120.570 -0.084 0.000 2.113 258 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 258 I C 2.597 178.731 176.117 0.029 0.000 1.064 258 I CA 1.853 63.139 61.300 -0.024 0.000 1.320 258 I CB -0.440 37.554 38.000 -0.010 0.000 1.028 258 I HN 0.390 nan 8.210 nan 0.000 0.406 259 M N -0.209 119.387 119.600 -0.007 0.000 2.065 259 M HA -0.249 4.231 4.480 -0.000 0.000 0.259 259 M C 2.271 178.612 176.300 0.067 0.000 1.069 259 M CA 1.865 57.163 55.300 -0.003 0.000 1.110 259 M CB -0.669 31.754 32.600 -0.296 0.000 1.328 259 M HN 0.224 nan 8.290 nan 0.000 0.405 260 E N -0.073 120.131 120.200 0.007 0.000 2.058 260 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 260 E C 2.112 178.747 176.600 0.059 0.000 0.997 260 E CA 1.513 57.948 56.400 0.059 0.000 0.801 260 E CB -0.171 29.567 29.700 0.063 0.000 0.746 260 E HN 0.341 nan 8.360 nan 0.000 0.450 261 V N 1.060 120.963 119.914 -0.018 0.000 2.270 261 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 261 V C 2.445 178.506 176.094 -0.056 0.000 1.043 261 V CA 1.982 64.206 62.300 -0.127 0.000 1.014 261 V CB -0.505 31.194 31.823 -0.208 0.000 0.645 261 V HN 0.139 nan 8.190 nan 0.000 0.447 262 R N -0.618 119.910 120.500 0.047 0.000 2.103 262 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 262 R C 2.236 178.613 176.300 0.128 0.000 1.142 262 R CA 2.176 58.327 56.100 0.084 0.000 0.960 262 R CB -0.724 29.662 30.300 0.143 0.000 0.858 262 R HN 0.620 nan 8.270 nan 0.000 0.439 263 Y N 0.320 120.684 120.300 0.107 0.000 2.184 263 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 263 Y C 2.383 178.286 175.900 0.005 0.000 1.129 263 Y CA 1.843 60.013 58.100 0.116 0.000 1.144 263 Y CB -0.218 38.354 38.460 0.187 0.000 0.995 263 Y HN 0.280 nan 8.280 nan 0.000 0.513 264 S N -1.248 114.496 115.700 0.074 0.000 2.461 264 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 264 S C 0.337 174.814 174.600 -0.205 0.000 1.005 264 S CA 0.707 58.868 58.200 -0.064 0.000 0.942 264 S CB -0.321 62.874 63.200 -0.009 0.000 0.776 264 S HN 0.022 nan 8.310 nan 0.000 0.514 265 V N 2.266 122.045 119.914 -0.225 0.000 2.564 265 V HA 0.332 4.452 4.120 -0.000 0.000 0.259 265 V C -2.228 173.753 176.094 -0.189 0.000 0.936 265 V CA -1.470 60.628 62.300 -0.335 0.000 0.867 265 V CB 1.154 32.755 31.823 -0.371 0.000 1.076 265 V HN 0.054 nan 8.190 nan 0.000 0.476 266 P HA -0.165 nan 4.420 nan 0.000 0.214 266 P C 1.194 178.471 177.300 -0.038 0.000 1.163 266 P CA 1.622 64.665 63.100 -0.096 0.000 0.883 266 P CB 0.147 31.780 31.700 -0.112 0.000 0.788 267 D N -0.327 120.059 120.400 -0.023 0.000 2.358 267 D HA -0.047 4.593 4.640 -0.000 0.000 0.241 267 D C 0.058 176.434 176.300 0.127 0.000 1.094 267 D CA 0.163 54.193 54.000 0.051 0.000 0.907 267 D CB -0.839 40.003 40.800 0.071 0.000 0.893 267 D HN 0.187 nan 8.370 nan 0.000 0.528 268 S N -0.183 115.599 115.700 0.136 0.000 2.585 268 S HA 0.252 4.722 4.470 -0.000 0.000 0.273 268 S C -0.173 174.588 174.600 0.268 0.000 1.339 268 S CA -1.002 57.362 58.200 0.273 0.000 1.028 268 S CB 0.629 64.037 63.200 0.346 0.000 0.906 268 S HN 0.186 nan 8.310 nan 0.000 0.528 269 F N 2.464 122.494 119.950 0.133 0.000 2.411 269 F HA 0.608 5.135 4.527 -0.000 0.000 0.355 269 F C -0.631 175.220 175.800 0.085 0.000 1.117 269 F CA -1.325 56.691 58.000 0.027 0.000 1.139 269 F CB 0.523 39.466 39.000 -0.094 0.000 1.120 269 F HN 0.594 nan 8.300 nan 0.000 0.493 270 L N 8.000 128.882 121.223 -0.569 0.000 2.372 270 L HA 0.491 4.831 4.340 -0.000 0.000 0.274 270 L C -1.410 175.175 176.870 -0.474 0.000 0.988 270 L CA -0.852 53.784 54.840 -0.341 0.000 0.833 270 L CB 1.697 43.697 42.059 -0.097 0.000 1.236 270 L HN 0.381 nan 8.230 nan 0.000 0.410 271 V N 3.618 123.314 119.914 -0.364 0.000 2.461 271 V HA 0.402 4.522 4.120 -0.000 0.000 0.275 271 V C 0.856 176.910 176.094 -0.067 0.000 1.047 271 V CA -0.349 61.837 62.300 -0.190 0.000 0.955 271 V CB 1.255 33.033 31.823 -0.076 0.000 0.988 271 V HN 0.884 nan 8.190 nan 0.000 0.471 272 G N 3.470 112.244 108.800 -0.042 0.000 2.428 272 G HA2 0.577 4.537 3.960 -0.000 0.000 0.320 272 G HA3 0.577 4.537 3.960 -0.000 0.000 0.320 272 G C -0.112 174.792 174.900 0.007 0.000 1.098 272 G CA -0.035 45.056 45.100 -0.015 0.000 0.984 272 G HN 0.907 nan 8.290 nan 0.000 0.444 273 S N 0.901 116.610 115.700 0.016 0.000 2.627 273 S HA 0.899 5.369 4.470 -0.000 0.000 0.283 273 S C -0.149 174.466 174.600 0.026 0.000 1.127 273 S CA -0.386 57.834 58.200 0.034 0.000 0.863 273 S CB 2.190 65.423 63.200 0.055 0.000 1.121 273 S HN 2.182 nan 8.310 nan 0.000 0.479 274 G N -0.425 108.397 108.800 0.036 0.000 2.730 274 G HA2 0.469 4.429 3.960 -0.000 0.000 0.644 274 G HA3 0.469 4.429 3.960 -0.000 0.000 0.644 274 G C 0.777 175.685 174.900 0.013 0.000 1.168 274 G CA 0.099 45.216 45.100 0.028 0.000 1.240 274 G HN 2.438 nan 8.290 nan 0.000 0.551 275 G N 0.296 109.108 108.800 0.021 0.000 2.176 275 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.252 275 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.252 275 G C 0.437 175.352 174.900 0.024 0.000 1.024 275 G CA 0.241 45.349 45.100 0.013 0.000 0.755 275 G HN 1.508 nan 8.290 nan 0.000 0.507 276 I N 0.588 121.181 120.570 0.039 0.000 2.421 276 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 276 I C 1.279 177.441 176.117 0.076 0.000 1.089 276 I CA 0.164 61.495 61.300 0.051 0.000 1.354 276 I CB 0.833 38.869 38.000 0.059 0.000 1.413 276 I HN 0.100 nan 8.210 nan 0.000 0.513 277 R N 3.240 123.780 120.500 0.067 0.000 2.394 277 R HA 0.168 4.508 4.340 -0.000 0.000 0.220 277 R C 0.508 176.863 176.300 0.091 0.000 0.887 277 R CA 0.198 56.354 56.100 0.094 0.000 1.034 277 R CB 0.423 30.760 30.300 0.061 0.000 1.179 277 R HN 0.703 nan 8.270 nan 0.000 0.561 278 S N -2.276 113.448 115.700 0.041 0.000 2.667 278 S HA 0.519 4.989 4.470 -0.000 0.000 0.292 278 S C 1.036 175.625 174.600 -0.018 0.000 1.126 278 S CA -0.284 57.916 58.200 -0.001 0.000 0.881 278 S CB 1.862 65.063 63.200 0.002 0.000 1.132 278 S HN 0.041 nan 8.310 nan 0.000 0.492 279 G N 0.056 108.828 108.800 -0.047 0.000 2.470 279 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.220 279 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.220 279 G C 1.084 175.965 174.900 -0.031 0.000 1.121 279 G CA 0.826 45.901 45.100 -0.042 0.000 0.766 279 G HN 0.638 nan 8.290 nan 0.000 0.553 280 L N 0.932 122.138 121.223 -0.028 0.000 2.056 280 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 280 L C 2.011 178.877 176.870 -0.007 0.000 1.078 280 L CA 1.937 56.765 54.840 -0.021 0.000 0.749 280 L CB -0.554 41.494 42.059 -0.018 0.000 0.901 280 L HN 0.051 nan 8.230 nan 0.000 0.433 281 D N 0.093 120.493 120.400 0.001 0.000 2.117 281 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 281 D C 2.212 178.518 176.300 0.010 0.000 0.987 281 D CA 1.590 55.596 54.000 0.009 0.000 0.829 281 D CB -0.265 40.546 40.800 0.018 0.000 0.961 281 D HN 0.485 nan 8.370 nan 0.000 0.460 282 A N 1.194 124.020 122.820 0.010 0.000 1.883 282 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 282 A C 2.349 179.936 177.584 0.005 0.000 1.186 282 A CA 2.520 54.564 52.037 0.012 0.000 0.624 282 A CB -0.836 18.172 19.000 0.012 0.000 0.822 282 A HN 0.247 nan 8.150 nan 0.000 0.444 283 A N -0.261 122.556 122.820 -0.004 0.000 1.883 283 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 283 A C 2.135 179.720 177.584 0.002 0.000 1.186 283 A CA 1.869 53.902 52.037 -0.006 0.000 0.624 283 A CB -0.465 18.526 19.000 -0.016 0.000 0.822 283 A HN 0.549 nan 8.150 nan 0.000 0.444 284 K N -0.433 119.969 120.400 0.005 0.000 2.057 284 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 284 K C 2.350 178.959 176.600 0.015 0.000 1.049 284 K CA 1.110 57.404 56.287 0.011 0.000 0.931 284 K CB -0.345 32.161 32.500 0.010 0.000 0.714 284 K HN 0.447 nan 8.250 nan 0.000 0.440 285 A N 1.560 124.387 122.820 0.011 0.000 1.902 285 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 285 A C 2.147 179.739 177.584 0.013 0.000 1.181 285 A CA 1.315 53.358 52.037 0.011 0.000 0.623 285 A CB -0.561 18.443 19.000 0.007 0.000 0.818 285 A HN 0.158 nan 8.150 nan 0.000 0.443 286 I N -0.268 120.308 120.570 0.009 0.000 2.142 286 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 286 I C 3.022 179.147 176.117 0.012 0.000 1.078 286 I CA 1.076 62.380 61.300 0.007 0.000 1.343 286 I CB -0.454 37.549 38.000 0.006 0.000 1.046 286 I HN 0.343 nan 8.210 nan 0.000 0.405 287 A N 0.747 123.576 122.820 0.014 0.000 1.903 287 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 287 A C 2.395 180.002 177.584 0.039 0.000 1.191 287 A CA 1.808 53.856 52.037 0.020 0.000 0.638 287 A CB -1.110 17.903 19.000 0.020 0.000 0.823 287 A HN 0.457 nan 8.150 nan 0.000 0.451 288 L N -2.456 118.800 121.223 0.056 0.000 2.131 288 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 288 L C 1.866 178.822 176.870 0.144 0.000 1.092 288 L CA 1.557 56.463 54.840 0.110 0.000 0.759 288 L CB -0.077 42.031 42.059 0.081 0.000 0.903 288 L HN 0.650 nan 8.230 nan 0.000 0.435 289 G N -2.499 106.344 108.800 0.071 0.000 3.859 289 G HA2 0.008 3.968 3.960 -0.000 0.000 0.220 289 G HA3 0.008 3.968 3.960 -0.000 0.000 0.220 289 G C 0.200 175.108 174.900 0.014 0.000 0.892 289 G CA 0.023 45.152 45.100 0.048 0.000 0.858 289 G HN 0.408 nan 8.290 nan 0.000 0.625 290 A N 0.605 123.428 122.820 0.004 0.000 2.386 290 A HA 0.563 4.883 4.320 -0.000 0.000 0.248 290 A C 0.971 178.531 177.584 -0.040 0.000 1.082 290 A CA 0.642 52.658 52.037 -0.034 0.000 0.789 290 A CB 0.425 19.404 19.000 -0.034 0.000 1.025 290 A HN 0.095 nan 8.150 nan 0.000 0.490 291 D N -0.173 120.171 120.400 -0.094 0.000 2.201 291 D HA 0.097 4.737 4.640 -0.000 0.000 0.209 291 D C 0.527 176.826 176.300 -0.002 0.000 0.961 291 D CA 1.700 55.679 54.000 -0.036 0.000 0.861 291 D CB 0.086 40.867 40.800 -0.031 0.000 0.997 291 D HN 0.646 nan 8.370 nan 0.000 0.486 292 I N -2.734 117.796 120.570 -0.068 0.000 2.969 292 I HA 0.621 4.791 4.170 -0.000 0.000 0.307 292 I C -1.364 174.753 176.117 0.001 0.000 1.149 292 I CA -1.345 59.968 61.300 0.022 0.000 1.008 292 I CB 2.359 40.448 38.000 0.148 0.000 1.232 292 I HN -0.218 nan 8.210 nan 0.000 0.435 293 A N 2.697 125.537 122.820 0.034 0.000 2.306 293 A HA 0.885 5.205 4.320 -0.000 0.000 0.314 293 A C 0.071 177.693 177.584 0.063 0.000 1.164 293 A CA -0.114 51.945 52.037 0.036 0.000 0.822 293 A CB 0.514 19.536 19.000 0.036 0.000 1.130 293 A HN 1.248 nan 8.150 nan 0.000 0.496 294 G N 0.907 109.745 108.800 0.065 0.000 2.416 294 G HA2 0.606 4.566 3.960 -0.000 0.000 0.329 294 G HA3 0.606 4.566 3.960 -0.000 0.000 0.329 294 G C -0.727 174.232 174.900 0.098 0.000 1.173 294 G CA -0.593 44.560 45.100 0.089 0.000 0.929 294 G HN 0.636 nan 8.290 nan 0.000 0.475 295 M N 1.061 120.734 119.600 0.122 0.000 2.446 295 M HA 0.565 5.045 4.480 -0.000 0.000 0.294 295 M C 0.386 176.748 176.300 0.104 0.000 1.158 295 M CA -0.800 54.575 55.300 0.126 0.000 0.899 295 M CB 2.617 35.334 32.600 0.194 0.000 1.687 295 M HN 0.644 nan 8.290 nan 0.000 0.455 296 A N 1.386 124.247 122.820 0.068 0.000 1.878 296 A HA 0.286 4.606 4.320 -0.000 0.000 0.188 296 A C 1.143 178.712 177.584 -0.026 0.000 2.104 296 A CA 0.019 52.083 52.037 0.044 0.000 1.140 296 A CB -0.667 18.381 19.000 0.080 0.000 1.057 296 A HN 0.731 nan 8.150 nan 0.000 0.646 297 L N 1.400 122.603 121.223 -0.033 0.000 2.010 297 L HA -0.120 4.220 4.340 -0.000 0.000 0.219 297 L C -0.730 176.026 176.870 -0.190 0.000 1.077 297 L CA 3.232 58.011 54.840 -0.103 0.000 0.773 297 L CB -1.078 40.919 42.059 -0.103 0.000 0.892 297 L HN 0.319 nan 8.230 nan 0.000 0.436 298 P HA -0.105 nan 4.420 nan 0.000 0.220 298 P C 1.937 178.790 177.300 -0.746 0.000 1.148 298 P CA 1.314 64.171 63.100 -0.407 0.000 0.803 298 P CB -0.020 31.516 31.700 -0.273 0.000 0.782 299 V N 0.717 120.291 119.914 -0.567 0.000 2.307 299 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 299 V C 2.729 178.607 176.094 -0.361 0.000 1.045 299 V CA 1.245 63.219 62.300 -0.544 0.000 1.024 299 V CB -1.226 30.471 31.823 -0.210 0.000 0.651 299 V HN 0.049 nan 8.190 nan 0.000 0.449 300 L N -0.033 121.043 121.223 -0.244 0.000 1.990 300 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 300 L C 2.707 179.433 176.870 -0.241 0.000 1.072 300 L CA 2.212 56.934 54.840 -0.197 0.000 0.755 300 L CB -0.406 41.553 42.059 -0.167 0.000 0.889 300 L HN 0.333 nan 8.230 nan 0.000 0.432 301 K N -0.861 119.367 120.400 -0.285 0.000 2.063 301 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 301 K C 2.136 178.597 176.600 -0.233 0.000 1.048 301 K CA 1.760 57.890 56.287 -0.263 0.000 0.928 301 K CB -0.099 32.253 32.500 -0.247 0.000 0.713 301 K HN 0.272 nan 8.250 nan 0.000 0.442 302 S N 0.496 116.002 115.700 -0.324 0.000 2.345 302 S HA -0.098 4.372 4.470 -0.000 0.000 0.219 302 S C 2.099 176.594 174.600 -0.174 0.000 1.031 302 S CA 1.083 59.121 58.200 -0.270 0.000 0.984 302 S CB -0.205 62.739 63.200 -0.426 0.000 0.874 302 S HN 0.440 nan 8.310 nan 0.000 0.451 303 A N 1.417 124.128 122.820 -0.182 0.000 1.986 303 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 303 A C 2.008 179.553 177.584 -0.065 0.000 1.171 303 A CA 1.300 53.278 52.037 -0.098 0.000 0.640 303 A CB -0.794 18.154 19.000 -0.086 0.000 0.811 303 A HN 0.520 nan 8.150 nan 0.000 0.451 304 I N -0.753 119.768 120.570 -0.081 0.000 2.394 304 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 304 I C 2.225 178.344 176.117 0.003 0.000 1.136 304 I CA 1.434 62.715 61.300 -0.032 0.000 1.425 304 I CB -0.326 37.646 38.000 -0.047 0.000 1.079 304 I HN 0.429 nan 8.210 nan 0.000 0.425 305 E N 0.566 120.755 120.200 -0.018 0.000 2.427 305 E HA 0.145 4.495 4.350 -0.000 0.000 0.196 305 E C 0.708 177.308 176.600 0.000 0.000 1.028 305 E CA 0.390 56.790 56.400 -0.001 0.000 0.864 305 E CB 0.210 29.902 29.700 -0.013 0.000 0.813 305 E HN 0.552 nan 8.360 nan 0.000 0.514 306 G N 0.776 109.573 108.800 -0.006 0.000 2.406 306 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.680 306 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.680 306 G C -0.053 174.855 174.900 0.014 0.000 1.338 306 G CA -0.240 44.865 45.100 0.007 0.000 0.941 306 G HN 0.019 nan 8.290 nan 0.000 0.633 307 K N 0.175 120.594 120.400 0.032 0.000 2.000 307 K HA -0.214 4.106 4.320 -0.000 0.000 0.218 307 K C 2.598 179.243 176.600 0.075 0.000 1.053 307 K CA 2.612 58.933 56.287 0.058 0.000 0.946 307 K CB -0.146 32.392 32.500 0.064 0.000 0.723 307 K HN 0.624 nan 8.250 nan 0.000 0.446 308 E N 0.590 120.831 120.200 0.068 0.000 2.110 308 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 308 E C 1.949 178.591 176.600 0.071 0.000 0.988 308 E CA 1.646 58.095 56.400 0.082 0.000 0.804 308 E CB -0.795 28.944 29.700 0.065 0.000 0.745 308 E HN 0.296 nan 8.360 nan 0.000 0.458 309 S N 0.657 116.381 115.700 0.040 0.000 2.374 309 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 309 S C 1.968 176.578 174.600 0.016 0.000 1.037 309 S CA 1.393 59.606 58.200 0.022 0.000 1.024 309 S CB -0.341 62.857 63.200 -0.003 0.000 0.861 309 S HN 0.314 nan 8.310 nan 0.000 0.456 310 L N 1.426 122.645 121.223 -0.007 0.000 2.156 310 L HA 0.157 4.497 4.340 -0.000 0.000 0.208 310 L C 2.236 179.113 176.870 0.011 0.000 1.095 310 L CA 1.809 56.609 54.840 -0.066 0.000 0.770 310 L CB -0.713 41.295 42.059 -0.085 0.000 0.914 310 L HN 0.346 nan 8.230 nan 0.000 0.439 311 E N -0.925 119.364 120.200 0.149 0.000 2.072 311 E HA -0.280 4.070 4.350 -0.000 0.000 0.191 311 E C 2.068 178.792 176.600 0.206 0.000 0.985 311 E CA 1.111 57.691 56.400 0.300 0.000 0.801 311 E CB -0.076 29.845 29.700 0.369 0.000 0.750 311 E HN 0.452 nan 8.360 nan 0.000 0.452 312 Q N 0.510 120.392 119.800 0.136 0.000 2.084 312 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 312 Q C 1.754 177.784 176.000 0.050 0.000 0.978 312 Q CA 1.384 57.244 55.803 0.096 0.000 0.844 312 Q CB -0.419 28.362 28.738 0.073 0.000 0.898 312 Q HN 0.339 nan 8.270 nan 0.000 0.426 313 F N -0.602 119.268 119.950 -0.134 0.000 2.095 313 F HA -0.185 4.342 4.527 0.000 0.000 0.298 313 F C 1.593 177.257 175.800 -0.228 0.000 1.104 313 F CA 1.612 59.478 58.000 -0.222 0.000 1.232 313 F CB -0.368 38.407 39.000 -0.375 0.000 0.987 313 F HN 0.150 nan 8.300 nan 0.000 0.475 314 F N 0.151 119.936 119.950 -0.275 0.000 2.216 314 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 314 F C 2.644 178.179 175.800 -0.441 0.000 1.085 314 F CA 0.972 58.627 58.000 -0.575 0.000 1.326 314 F CB -0.401 37.962 39.000 -1.061 0.000 1.027 314 F HN -0.157 nan 8.300 nan 0.000 0.497 315 R N 0.612 121.084 120.500 -0.047 0.000 2.070 315 R HA -0.199 4.141 4.340 -0.000 0.000 0.233 315 R C 2.331 178.671 176.300 0.068 0.000 1.137 315 R CA 1.635 57.802 56.100 0.112 0.000 0.945 315 R CB -0.326 30.077 30.300 0.171 0.000 0.845 315 R HN 0.156 nan 8.270 nan 0.000 0.430 316 K N 0.571 120.954 120.400 -0.028 0.000 2.044 316 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 316 K C 1.966 178.540 176.600 -0.044 0.000 1.049 316 K CA 1.532 57.808 56.287 -0.018 0.000 0.927 316 K CB -0.047 32.392 32.500 -0.101 0.000 0.713 316 K HN 0.080 nan 8.250 nan 0.000 0.443 317 I N 1.412 121.829 120.570 -0.256 0.000 2.179 317 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 317 I C 2.432 178.517 176.117 -0.053 0.000 1.088 317 I CA 1.307 62.471 61.300 -0.226 0.000 1.357 317 I CB -0.829 36.953 38.000 -0.362 0.000 1.051 317 I HN 0.257 nan 8.210 nan 0.000 0.409 318 I N 0.116 120.690 120.570 0.007 0.000 2.179 318 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 318 I C 2.594 178.786 176.117 0.125 0.000 1.088 318 I CA 1.389 62.730 61.300 0.067 0.000 1.357 318 I CB -0.466 37.604 38.000 0.116 0.000 1.051 318 I HN 0.071 nan 8.210 nan 0.000 0.409 319 F N 1.990 121.974 119.950 0.057 0.000 2.095 319 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 319 F C 2.383 178.252 175.800 0.115 0.000 1.104 319 F CA 1.934 60.011 58.000 0.129 0.000 1.232 319 F CB -0.444 38.616 39.000 0.101 0.000 0.987 319 F HN 0.048 nan 8.300 nan 0.000 0.475 320 E N 0.100 120.247 120.200 -0.088 0.000 2.049 320 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 320 E C 2.116 178.617 176.600 -0.166 0.000 1.007 320 E CA 1.662 57.952 56.400 -0.184 0.000 0.809 320 E CB -0.572 29.096 29.700 -0.053 0.000 0.749 320 E HN 0.433 nan 8.360 nan 0.000 0.450 321 L N 1.602 122.769 121.223 -0.093 0.000 2.012 321 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 321 L C 1.840 178.648 176.870 -0.103 0.000 1.073 321 L CA 1.948 56.743 54.840 -0.075 0.000 0.748 321 L CB -0.189 41.843 42.059 -0.045 0.000 0.891 321 L HN -0.070 nan 8.230 nan 0.000 0.431 322 K N -0.665 119.659 120.400 -0.126 0.000 2.097 322 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 322 K C 2.086 178.610 176.600 -0.126 0.000 1.049 322 K CA 1.155 57.321 56.287 -0.202 0.000 0.933 322 K CB -0.361 31.950 32.500 -0.315 0.000 0.717 322 K HN 0.519 nan 8.250 nan 0.000 0.442 323 A N 1.609 124.358 122.820 -0.118 0.000 1.877 323 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 323 A C 2.395 179.948 177.584 -0.052 0.000 1.186 323 A CA 1.895 53.878 52.037 -0.090 0.000 0.620 323 A CB -0.759 18.009 19.000 -0.387 0.000 0.822 323 A HN 0.326 nan 8.150 nan 0.000 0.443 324 A N -0.762 122.012 122.820 -0.077 0.000 1.933 324 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 324 A C 2.269 179.838 177.584 -0.026 0.000 1.175 324 A CA 1.902 53.917 52.037 -0.037 0.000 0.628 324 A CB -0.528 18.449 19.000 -0.039 0.000 0.814 324 A HN 0.546 nan 8.150 nan 0.000 0.444 325 M N -2.068 117.501 119.600 -0.052 0.000 2.067 325 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 325 M C 2.405 178.677 176.300 -0.046 0.000 1.069 325 M CA 2.191 57.456 55.300 -0.058 0.000 1.117 325 M CB -0.387 32.157 32.600 -0.094 0.000 1.334 325 M HN 0.533 nan 8.290 nan 0.000 0.407 326 M N 0.952 120.529 119.600 -0.038 0.000 2.088 326 M HA -0.221 4.259 4.480 -0.000 0.000 0.256 326 M C 1.611 177.920 176.300 0.015 0.000 1.071 326 M CA 1.974 57.284 55.300 0.016 0.000 1.097 326 M CB -0.554 32.151 32.600 0.174 0.000 1.315 326 M HN 0.228 nan 8.290 nan 0.000 0.406 327 L N -0.517 120.731 121.223 0.042 0.000 2.610 327 L HA 0.028 4.368 4.340 -0.000 0.000 0.232 327 L C 1.198 178.089 176.870 0.035 0.000 1.149 327 L CA 0.983 55.872 54.840 0.082 0.000 0.872 327 L CB -1.089 41.072 42.059 0.170 0.000 0.992 327 L HN 0.562 nan 8.230 nan 0.000 0.447 328 T N -5.012 109.541 114.554 -0.001 0.000 3.040 328 T HA 0.254 4.604 4.350 -0.000 0.000 0.266 328 T C 1.244 175.924 174.700 -0.033 0.000 1.005 328 T CA 0.261 62.350 62.100 -0.017 0.000 0.906 328 T CB 0.740 69.606 68.868 -0.003 0.000 1.082 328 T HN 0.280 nan 8.240 nan 0.000 0.531 329 G N 1.489 110.262 108.800 -0.044 0.000 2.314 329 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.292 329 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.292 329 G C -0.079 174.801 174.900 -0.034 0.000 1.059 329 G CA 0.090 45.162 45.100 -0.046 0.000 0.982 329 G HN 0.637 nan 8.290 nan 0.000 0.505 330 S N -0.084 115.593 115.700 -0.039 0.000 2.474 330 S HA 0.374 4.844 4.470 -0.000 0.000 0.320 330 S C 1.480 176.049 174.600 -0.052 0.000 1.067 330 S CA -0.176 58.001 58.200 -0.037 0.000 1.127 330 S CB 1.287 64.467 63.200 -0.034 0.000 0.971 330 S HN 0.725 nan 8.310 nan 0.000 0.472 331 K N 1.609 121.983 120.400 -0.044 0.000 2.155 331 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 331 K C -0.033 176.533 176.600 -0.057 0.000 1.052 331 K CA 1.092 57.347 56.287 -0.053 0.000 0.948 331 K CB -0.228 32.250 32.500 -0.037 0.000 0.728 331 K HN 0.599 nan 8.250 nan 0.000 0.448 332 D N -1.581 118.793 120.400 -0.043 0.000 2.626 332 D HA 0.089 4.729 4.640 -0.000 0.000 0.278 332 D C 0.716 177.000 176.300 -0.027 0.000 1.211 332 D CA -0.848 53.130 54.000 -0.037 0.000 0.903 332 D CB 1.084 41.869 40.800 -0.025 0.000 1.408 332 D HN -0.249 nan 8.370 nan 0.000 0.454 333 V N 0.351 120.254 119.914 -0.018 0.000 2.380 333 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 333 V C 1.442 177.534 176.094 -0.003 0.000 1.063 333 V CA 2.269 64.565 62.300 -0.007 0.000 1.055 333 V CB -0.611 31.216 31.823 0.007 0.000 0.657 333 V HN 0.591 nan 8.190 nan 0.000 0.455 334 D N 0.201 120.599 120.400 -0.003 0.000 2.117 334 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 334 D C 2.241 178.536 176.300 -0.007 0.000 0.987 334 D CA 1.645 55.644 54.000 -0.003 0.000 0.829 334 D CB -0.229 40.570 40.800 -0.002 0.000 0.961 334 D HN 0.461 nan 8.370 nan 0.000 0.460 335 A N 0.684 123.497 122.820 -0.011 0.000 1.933 335 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 335 A C 2.166 179.743 177.584 -0.012 0.000 1.175 335 A CA 0.895 52.925 52.037 -0.012 0.000 0.628 335 A CB -0.622 18.369 19.000 -0.016 0.000 0.814 335 A HN 0.243 nan 8.150 nan 0.000 0.444 336 L N -0.071 121.144 121.223 -0.014 0.000 2.017 336 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 336 L C 2.144 179.010 176.870 -0.006 0.000 1.073 336 L CA 2.205 57.038 54.840 -0.012 0.000 0.745 336 L CB -0.516 41.533 42.059 -0.015 0.000 0.894 336 L HN 0.315 nan 8.230 nan 0.000 0.432 337 K N -0.083 120.313 120.400 -0.005 0.000 2.286 337 K HA -0.187 4.133 4.320 -0.000 0.000 0.203 337 K C 1.140 177.732 176.600 -0.014 0.000 1.045 337 K CA 1.743 58.026 56.287 -0.007 0.000 0.935 337 K CB -0.078 32.419 32.500 -0.006 0.000 0.737 337 K HN 0.534 nan 8.250 nan 0.000 0.460 338 K N -0.614 119.778 120.400 -0.012 0.000 2.478 338 K HA 0.133 4.453 4.320 -0.000 0.000 0.205 338 K C 0.309 176.906 176.600 -0.006 0.000 1.033 338 K CA -0.228 56.051 56.287 -0.014 0.000 1.091 338 K CB 0.835 33.325 32.500 -0.017 0.000 0.844 338 K HN -0.232 nan 8.250 nan 0.000 0.507 339 T N 1.075 115.628 114.554 -0.002 0.000 2.748 339 T HA 0.088 4.438 4.350 -0.000 0.000 0.304 339 T C -0.151 174.555 174.700 0.010 0.000 1.041 339 T CA -0.103 61.998 62.100 0.002 0.000 1.033 339 T CB 0.693 69.561 68.868 0.001 0.000 0.995 339 T HN 0.251 nan 8.240 nan 0.000 0.536 340 S N 2.290 117.997 115.700 0.012 0.000 2.499 340 S HA 0.488 4.958 4.470 -0.000 0.000 0.275 340 S C 0.144 174.760 174.600 0.026 0.000 1.257 340 S CA -0.693 57.518 58.200 0.019 0.000 1.050 340 S CB -0.232 62.977 63.200 0.017 0.000 0.937 340 S HN 0.608 nan 8.310 nan 0.000 0.490 341 I N -0.269 120.322 120.570 0.034 0.000 3.108 341 I HA 0.856 5.026 4.170 -0.000 0.000 0.312 341 I C -1.145 174.993 176.117 0.035 0.000 1.095 341 I CA -1.226 60.096 61.300 0.037 0.000 1.000 341 I CB 1.851 39.880 38.000 0.048 0.000 1.229 341 I HN 0.244 nan 8.210 nan 0.000 0.454 342 V N 3.875 123.806 119.914 0.028 0.000 2.588 342 V HA 0.506 4.626 4.120 -0.000 0.000 0.304 342 V C -0.277 175.824 176.094 0.012 0.000 1.042 342 V CA -0.404 61.907 62.300 0.019 0.000 0.877 342 V CB 1.906 33.736 31.823 0.013 0.000 0.996 342 V HN 0.518 nan 8.190 nan 0.000 0.425 343 I N 5.718 126.292 120.570 0.006 0.000 2.389 343 I HA 0.494 4.664 4.170 -0.000 0.000 0.288 343 I C -0.438 175.665 176.117 -0.024 0.000 0.999 343 I CA -0.214 61.080 61.300 -0.011 0.000 1.129 343 I CB 1.445 39.437 38.000 -0.015 0.000 1.288 343 I HN 0.356 nan 8.210 nan 0.000 0.444 344 L N 4.060 125.257 121.223 -0.043 0.000 2.267 344 L HA 0.722 5.062 4.340 -0.000 0.000 0.264 344 L C 1.305 178.125 176.870 -0.083 0.000 1.021 344 L CA -0.474 54.334 54.840 -0.053 0.000 0.861 344 L CB 1.375 43.401 42.059 -0.055 0.000 1.443 344 L HN 0.803 nan 8.230 nan 0.000 0.475 345 G N 0.419 109.167 108.800 -0.086 0.000 2.661 345 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.327 345 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.327 345 G C 0.745 175.557 174.900 -0.146 0.000 1.320 345 G CA 0.926 45.953 45.100 -0.121 0.000 0.997 345 G HN 0.718 nan 8.290 nan 0.000 0.543 346 K N -0.421 119.817 120.400 -0.271 0.000 2.148 346 K HA 0.082 4.402 4.320 -0.000 0.000 0.204 346 K C 2.615 179.093 176.600 -0.204 0.000 1.050 346 K CA 1.226 57.329 56.287 -0.307 0.000 0.942 346 K CB -0.220 31.908 32.500 -0.620 0.000 0.724 346 K HN 0.269 nan 8.250 nan 0.000 0.446 347 L N 2.157 123.196 121.223 -0.306 0.000 2.046 347 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 347 L C 2.190 179.103 176.870 0.072 0.000 1.077 347 L CA 1.823 56.667 54.840 0.007 0.000 0.747 347 L CB -0.367 41.678 42.059 -0.024 0.000 0.896 347 L HN 0.024 nan 8.230 nan 0.000 0.432 348 K N -0.520 119.879 120.400 -0.002 0.000 2.026 348 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 348 K C 1.959 178.592 176.600 0.056 0.000 1.048 348 K CA 1.805 58.099 56.287 0.010 0.000 0.929 348 K CB -0.133 32.357 32.500 -0.017 0.000 0.713 348 K HN 0.481 nan 8.250 nan 0.000 0.439 349 E N -0.173 120.064 120.200 0.062 0.000 2.085 349 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 349 E C 1.752 178.444 176.600 0.152 0.000 0.994 349 E CA 1.073 57.521 56.400 0.080 0.000 0.801 349 E CB -0.254 29.473 29.700 0.044 0.000 0.743 349 E HN 0.507 nan 8.360 nan 0.000 0.453 350 W N 1.628 122.947 121.300 0.032 0.000 2.332 350 W HA -0.221 4.439 4.660 -0.000 0.000 0.321 350 W C 2.321 178.850 176.519 0.017 0.000 1.219 350 W CA 2.093 59.475 57.345 0.061 0.000 1.277 350 W CB -0.574 28.968 29.460 0.136 0.000 1.161 350 W HN 0.044 nan 8.180 nan 0.000 0.476 351 A N 0.530 123.563 122.820 0.355 0.000 1.908 351 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 351 A C 1.897 179.475 177.584 -0.009 0.000 1.181 351 A CA 2.144 54.254 52.037 0.122 0.000 0.627 351 A CB -1.006 17.965 19.000 -0.048 0.000 0.818 351 A HN 0.509 nan 8.150 nan 0.000 0.445 352 E N -1.792 118.415 120.200 0.012 0.000 2.031 352 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 352 E C 1.912 178.487 176.600 -0.042 0.000 0.994 352 E CA 1.511 57.899 56.400 -0.021 0.000 0.800 352 E CB -0.333 29.372 29.700 0.008 0.000 0.752 352 E HN 0.752 nan 8.360 nan 0.000 0.447 353 Y N 1.065 121.296 120.300 -0.114 0.000 2.207 353 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 353 Y C 1.761 177.551 175.900 -0.183 0.000 1.156 353 Y CA 1.319 59.325 58.100 -0.156 0.000 1.182 353 Y CB 0.331 38.665 38.460 -0.210 0.000 0.979 353 Y HN -0.155 nan 8.280 nan 0.000 0.521 354 R N 0.139 120.581 120.500 -0.096 0.000 2.319 354 R HA 0.132 4.472 4.340 -0.000 0.000 0.204 354 R C 1.317 177.538 176.300 -0.132 0.000 0.954 354 R CA 0.693 56.718 56.100 -0.124 0.000 1.066 354 R CB -0.760 29.476 30.300 -0.107 0.000 0.991 354 R HN 0.534 nan 8.270 nan 0.000 0.486 355 G N 1.643 110.347 108.800 -0.160 0.000 2.179 355 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 355 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 355 G C 0.255 175.052 174.900 -0.171 0.000 1.010 355 G CA -0.041 44.982 45.100 -0.129 0.000 0.736 355 G HN 0.352 nan 8.290 nan 0.000 0.513 356 I N 1.452 121.839 120.570 -0.307 0.000 2.389 356 I HA 0.048 4.218 4.170 -0.000 0.000 0.295 356 I C 0.954 176.870 176.117 -0.334 0.000 1.117 356 I CA -0.288 60.621 61.300 -0.651 0.000 1.317 356 I CB 0.364 37.953 38.000 -0.685 0.000 1.431 356 I HN 0.221 nan 8.210 nan 0.000 0.521 357 N N 6.916 125.520 118.700 -0.160 0.000 2.438 357 N HA 0.042 4.782 4.740 -0.000 0.000 0.267 357 N C 1.048 176.601 175.510 0.072 0.000 1.222 357 N CA -0.192 52.872 53.050 0.023 0.000 0.930 357 N CB 0.934 39.500 38.487 0.132 0.000 1.083 357 N HN 0.617 nan 8.380 nan 0.000 0.476 358 L N 2.580 123.826 121.223 0.038 0.000 2.079 358 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 358 L C 2.449 179.404 176.870 0.142 0.000 1.081 358 L CA 0.830 55.722 54.840 0.086 0.000 0.752 358 L CB -0.483 41.600 42.059 0.040 0.000 0.896 358 L HN 0.543 nan 8.230 nan 0.000 0.433 359 S N 0.567 116.329 115.700 0.103 0.000 2.363 359 S HA -0.222 4.248 4.470 -0.000 0.000 0.218 359 S C 1.923 176.595 174.600 0.120 0.000 1.035 359 S CA 1.964 60.220 58.200 0.093 0.000 1.043 359 S CB -0.358 62.881 63.200 0.066 0.000 0.986 359 S HN 0.520 nan 8.310 nan 0.000 0.423 360 I N -0.164 120.496 120.570 0.149 0.000 2.700 360 I HA -0.125 4.045 4.170 -0.000 0.000 0.261 360 I C 1.903 178.155 176.117 0.225 0.000 1.219 360 I CA 1.396 62.792 61.300 0.160 0.000 1.463 360 I CB -0.371 37.721 38.000 0.153 0.000 1.092 360 I HN 0.376 nan 8.210 nan 0.000 0.452 361 Y N 1.735 122.143 120.300 0.180 0.000 2.184 361 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 361 Y C 2.480 178.438 175.900 0.097 0.000 1.129 361 Y CA 1.716 59.926 58.100 0.183 0.000 1.144 361 Y CB -0.050 38.473 38.460 0.106 0.000 0.995 361 Y HN 0.163 nan 8.280 nan 0.000 0.513 362 E N 0.561 120.806 120.200 0.076 0.000 2.171 362 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 362 E C 1.934 178.484 176.600 -0.084 0.000 0.997 362 E CA 1.316 57.706 56.400 -0.016 0.000 0.810 362 E CB -0.085 29.648 29.700 0.054 0.000 0.738 362 E HN 0.526 nan 8.360 nan 0.000 0.467 363 K N 0.377 120.748 120.400 -0.049 0.000 2.031 363 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 363 K C 2.377 178.918 176.600 -0.099 0.000 1.049 363 K CA 0.581 56.837 56.287 -0.052 0.000 0.939 363 K CB -0.763 31.726 32.500 -0.017 0.000 0.717 363 K HN 0.036 nan 8.250 nan 0.000 0.438 364 V N 2.820 122.653 119.914 -0.135 0.000 2.392 364 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 364 V C 2.401 178.364 176.094 -0.217 0.000 1.059 364 V CA 2.102 64.304 62.300 -0.165 0.000 1.051 364 V CB -0.749 30.986 31.823 -0.147 0.000 0.658 364 V HN 0.416 nan 8.190 nan 0.000 0.455 365 R N 0.947 121.236 120.500 -0.352 0.000 2.339 365 R HA 0.016 4.356 4.340 -0.000 0.000 0.199 365 R C 0.680 176.896 176.300 -0.139 0.000 1.018 365 R CA 0.631 56.561 56.100 -0.284 0.000 1.036 365 R CB -0.184 29.882 30.300 -0.390 0.000 0.899 365 R HN 0.444 nan 8.270 nan 0.000 0.473 366 K N 0.000 120.334 120.400 -0.109 0.000 2.780 366 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 366 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 366 K CB 0.000 32.471 32.500 -0.049 0.000 1.064 366 K HN 0.000 nan 8.250 nan 0.000 0.543