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 1ahz_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISSKDQ IVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.600 176.600 0.001 0.000 1.382 6 E CA 0.000 56.431 56.400 0.052 0.000 0.976 6 E CB 0.000 29.795 29.700 0.158 0.000 0.812 7 F N 0.121 120.156 119.950 0.142 0.000 2.164 7 F HA 0.333 4.860 4.527 -0.000 0.000 0.287 7 F C 1.538 177.388 175.800 0.084 0.000 1.086 7 F CA 1.659 59.736 58.000 0.127 0.000 1.249 7 F CB 0.564 39.604 39.000 0.068 0.000 1.059 7 F HN 0.488 nan 8.300 nan 0.000 0.490 8 R N 0.776 121.382 120.500 0.177 0.000 2.502 8 R HA 0.427 4.767 4.340 -0.000 0.000 0.298 8 R C -3.311 172.919 176.300 -0.116 0.000 1.018 8 R CA -2.048 54.036 56.100 -0.027 0.000 0.899 8 R CB 1.344 31.657 30.300 0.022 0.000 1.181 8 R HN -0.161 nan 8.270 nan 0.000 0.444 9 P HA 0.114 nan 4.420 nan 0.000 0.276 9 P C 0.363 177.571 177.300 -0.152 0.000 1.244 9 P CA -0.679 62.262 63.100 -0.264 0.000 0.801 9 P CB 0.899 32.277 31.700 -0.537 0.000 1.006 10 L N 0.413 121.589 121.223 -0.078 0.000 2.131 10 L HA -0.021 4.318 4.340 -0.000 0.000 0.210 10 L C 0.594 177.423 176.870 -0.069 0.000 1.092 10 L CA 1.751 56.556 54.840 -0.058 0.000 0.759 10 L CB -0.148 41.890 42.059 -0.035 0.000 0.903 10 L HN 0.575 nan 8.230 nan 0.000 0.435 11 T N -3.426 111.086 114.554 -0.069 0.000 2.816 11 T HA 0.586 4.935 4.350 -0.000 0.000 0.299 11 T C -0.781 173.880 174.700 -0.065 0.000 1.230 11 T CA -0.825 61.239 62.100 -0.061 0.000 1.007 11 T CB 2.075 70.921 68.868 -0.036 0.000 1.289 11 T HN -0.002 nan 8.240 nan 0.000 0.508 12 L N 0.045 121.239 121.223 -0.048 0.000 2.409 12 L HA 0.611 4.950 4.340 -0.000 0.000 0.255 12 L C -2.683 174.163 176.870 -0.040 0.000 1.027 12 L CA -2.784 52.028 54.840 -0.046 0.000 0.834 12 L CB 2.622 44.636 42.059 -0.075 0.000 1.426 12 L HN 0.493 nan 8.230 nan 0.000 0.411 13 P HA 0.069 nan 4.420 nan 0.000 0.267 13 P C -2.489 174.764 177.300 -0.080 0.000 1.200 13 P CA -0.625 62.355 63.100 -0.200 0.000 0.772 13 P CB -0.309 31.006 31.700 -0.641 0.000 0.855 14 P HA 0.005 nan 4.420 nan 0.000 0.271 14 P C -0.390 176.894 177.300 -0.026 0.000 1.218 14 P CA 0.063 63.214 63.100 0.084 0.000 0.780 14 P CB 0.303 32.146 31.700 0.238 0.000 0.901 15 K N -0.820 119.572 120.400 -0.013 0.000 3.096 15 K HA -0.182 4.138 4.320 -0.000 0.000 0.266 15 K C -0.404 176.182 176.600 -0.023 0.000 1.043 15 K CA 0.646 56.917 56.287 -0.027 0.000 0.758 15 K CB -2.119 30.352 32.500 -0.048 0.000 1.260 15 K HN 0.528 nan 8.250 nan 0.000 0.481 16 L N -0.605 120.608 121.223 -0.017 0.000 2.493 16 L HA 0.402 4.742 4.340 -0.000 0.000 0.265 16 L C -0.090 176.805 176.870 0.041 0.000 0.954 16 L CA -0.311 54.536 54.840 0.012 0.000 0.844 16 L CB 2.071 44.107 42.059 -0.038 0.000 1.302 16 L HN 0.222 nan 8.230 nan 0.000 0.405 17 S N 3.355 119.102 115.700 0.078 0.000 2.592 17 S HA 0.290 4.759 4.470 -0.000 0.000 0.271 17 S C 0.978 175.652 174.600 0.123 0.000 1.326 17 S CA -0.440 57.811 58.200 0.085 0.000 1.024 17 S CB 1.079 64.335 63.200 0.092 0.000 0.921 17 S HN 0.793 nan 8.310 nan 0.000 0.527 18 L N 2.624 123.907 121.223 0.100 0.000 2.131 18 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 18 L C 2.349 179.326 176.870 0.177 0.000 1.092 18 L CA 1.823 56.739 54.840 0.126 0.000 0.759 18 L CB -1.299 40.804 42.059 0.072 0.000 0.903 18 L HN 0.856 nan 8.230 nan 0.000 0.435 19 S N -0.346 115.436 115.700 0.137 0.000 2.399 19 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 19 S C 1.537 176.221 174.600 0.139 0.000 1.022 19 S CA 1.359 59.637 58.200 0.130 0.000 0.983 19 S CB -0.399 62.867 63.200 0.110 0.000 0.803 19 S HN 0.565 nan 8.310 nan 0.000 0.480 20 D N 0.509 121.007 120.400 0.163 0.000 2.137 20 D HA 0.013 4.653 4.640 -0.000 0.000 0.202 20 D C 1.598 177.913 176.300 0.025 0.000 0.970 20 D CA 0.533 54.620 54.000 0.144 0.000 0.837 20 D CB -0.330 40.615 40.800 0.242 0.000 0.981 20 D HN 0.397 nan 8.370 nan 0.000 0.475 21 F N 2.402 122.370 119.950 0.029 0.000 2.161 21 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 21 F C 1.868 177.677 175.800 0.015 0.000 1.089 21 F CA 1.272 59.331 58.000 0.098 0.000 1.282 21 F CB -0.135 38.957 39.000 0.153 0.000 1.010 21 F HN -0.143 nan 8.300 nan 0.000 0.485 22 N N 0.489 119.287 118.700 0.163 0.000 2.142 22 N HA -0.218 4.521 4.740 -0.000 0.000 0.186 22 N C 1.950 177.353 175.510 -0.178 0.000 1.023 22 N CA 1.581 54.615 53.050 -0.027 0.000 0.852 22 N CB -0.521 37.971 38.487 0.010 0.000 0.998 22 N HN 0.553 nan 8.380 nan 0.000 0.424 23 E N 0.160 120.284 120.200 -0.126 0.000 2.106 23 E HA -0.162 4.187 4.350 -0.000 0.000 0.192 23 E C 1.856 178.295 176.600 -0.268 0.000 0.984 23 E CA 0.564 56.893 56.400 -0.118 0.000 0.806 23 E CB -0.108 29.627 29.700 0.057 0.000 0.750 23 E HN 0.225 nan 8.360 nan 0.000 0.458 24 F N 1.510 121.021 119.950 -0.732 0.000 2.051 24 F HA -0.220 4.307 4.527 -0.000 0.000 0.296 24 F C 2.023 177.463 175.800 -0.599 0.000 1.122 24 F CA 1.402 58.880 58.000 -0.870 0.000 1.201 24 F CB -0.265 38.029 39.000 -1.178 0.000 0.978 24 F HN 0.023 nan 8.300 nan 0.000 0.472 25 I N 0.772 120.892 120.570 -0.749 0.000 2.264 25 I HA -0.311 3.858 4.170 -0.000 0.000 0.248 25 I C 2.424 178.237 176.117 -0.508 0.000 1.111 25 I CA 1.604 62.456 61.300 -0.747 0.000 1.382 25 I CB -1.526 36.043 38.000 -0.718 0.000 1.060 25 I HN 0.452 nan 8.210 nan 0.000 0.418 26 Q N 0.981 120.545 119.800 -0.395 0.000 2.002 26 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 26 Q C 1.766 177.611 176.000 -0.258 0.000 0.988 26 Q CA 2.129 57.769 55.803 -0.273 0.000 0.843 26 Q CB 0.030 28.647 28.738 -0.203 0.000 0.908 26 Q HN 0.428 nan 8.270 nan 0.000 0.420 27 D N 0.387 120.621 120.400 -0.278 0.000 2.149 27 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 27 D C 1.938 178.065 176.300 -0.288 0.000 0.990 27 D CA 0.959 54.819 54.000 -0.233 0.000 0.839 27 D CB -0.093 40.598 40.800 -0.182 0.000 0.948 27 D HN 0.347 nan 8.370 nan 0.000 0.460 28 I N 1.058 121.360 120.570 -0.446 0.000 2.252 28 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 28 I C 2.569 178.529 176.117 -0.262 0.000 1.102 28 I CA 0.630 61.688 61.300 -0.404 0.000 1.385 28 I CB -0.972 36.695 38.000 -0.555 0.000 1.064 28 I HN 0.032 nan 8.210 nan 0.000 0.414 29 I N 0.861 121.283 120.570 -0.247 0.000 2.335 29 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 29 I C 2.569 178.611 176.117 -0.126 0.000 1.129 29 I CA 0.989 62.190 61.300 -0.165 0.000 1.402 29 I CB -0.399 37.512 38.000 -0.149 0.000 1.069 29 I HN 0.218 nan 8.210 nan 0.000 0.424 30 R N 0.798 121.219 120.500 -0.132 0.000 2.115 30 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 30 R C 2.039 178.287 176.300 -0.087 0.000 1.111 30 R CA 1.243 57.286 56.100 -0.096 0.000 0.976 30 R CB -0.786 29.460 30.300 -0.091 0.000 0.870 30 R HN 0.421 nan 8.270 nan 0.000 0.445 31 I N 0.586 121.092 120.570 -0.107 0.000 2.260 31 I HA -0.145 4.025 4.170 -0.000 0.000 0.237 31 I C 2.235 178.304 176.117 -0.080 0.000 1.075 31 I CA 1.063 62.308 61.300 -0.091 0.000 1.376 31 I CB -0.393 37.543 38.000 -0.108 0.000 1.107 31 I HN -0.071 nan 8.210 nan 0.000 0.420 32 V N -0.627 119.231 119.914 -0.094 0.000 3.406 32 V HA 0.409 4.528 4.120 -0.000 0.000 0.263 32 V C 0.930 176.986 176.094 -0.063 0.000 1.172 32 V CA 0.199 62.454 62.300 -0.076 0.000 1.140 32 V CB -1.250 30.524 31.823 -0.082 0.000 0.784 32 V HN 0.577 nan 8.190 nan 0.000 0.467 33 G N 1.090 109.849 108.800 -0.069 0.000 2.778 33 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 33 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 33 G C 0.566 175.435 174.900 -0.051 0.000 1.309 33 G CA 0.506 45.573 45.100 -0.054 0.000 0.904 33 G HN 1.549 nan 8.290 nan 0.000 0.593 34 S N 0.678 116.353 115.700 -0.043 0.000 2.400 34 S HA -0.286 4.184 4.470 -0.000 0.000 0.234 34 S C 1.837 176.425 174.600 -0.019 0.000 1.049 34 S CA 2.524 60.705 58.200 -0.032 0.000 1.039 34 S CB -0.341 62.848 63.200 -0.018 0.000 0.856 34 S HN 0.946 nan 8.310 nan 0.000 0.465 35 E N 2.366 122.557 120.200 -0.016 0.000 2.130 35 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 35 E C 1.999 178.594 176.600 -0.008 0.000 0.998 35 E CA 1.512 57.908 56.400 -0.007 0.000 0.806 35 E CB -0.459 29.237 29.700 -0.007 0.000 0.738 35 E HN 0.627 nan 8.360 nan 0.000 0.459 36 N N 0.137 118.824 118.700 -0.022 0.000 2.250 36 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 36 N C 0.380 175.872 175.510 -0.030 0.000 1.017 36 N CA 0.409 53.442 53.050 -0.028 0.000 0.866 36 N CB 0.023 38.487 38.487 -0.040 0.000 0.985 36 N HN 0.022 nan 8.380 nan 0.000 0.429 37 V N 0.866 120.756 119.914 -0.040 0.000 3.083 37 V HA 0.260 4.379 4.120 -0.000 0.000 0.306 37 V C 0.318 176.413 176.094 0.002 0.000 1.077 37 V CA -0.503 61.773 62.300 -0.041 0.000 1.073 37 V CB 1.450 33.226 31.823 -0.079 0.000 1.081 37 V HN 0.197 nan 8.190 nan 0.000 0.474 38 E N 1.052 121.269 120.200 0.028 0.000 2.531 38 E HA 0.386 4.735 4.350 -0.000 0.000 0.323 38 E C -2.040 174.624 176.600 0.106 0.000 0.908 38 E CA -0.370 56.070 56.400 0.065 0.000 0.792 38 E CB 1.912 31.656 29.700 0.073 0.000 1.360 38 E HN 0.404 nan 8.360 nan 0.000 0.394 39 V N 5.499 125.489 119.914 0.126 0.000 2.567 39 V HA 0.360 4.480 4.120 -0.000 0.000 0.289 39 V C 0.522 176.699 176.094 0.139 0.000 1.049 39 V CA -0.454 61.955 62.300 0.182 0.000 0.969 39 V CB 1.465 33.434 31.823 0.243 0.000 0.995 39 V HN 0.656 nan 8.190 nan 0.000 0.471 40 I N 3.857 124.508 120.570 0.135 0.000 2.256 40 I HA 0.160 4.330 4.170 -0.000 0.000 0.294 40 I C 1.048 177.194 176.117 0.048 0.000 1.127 40 I CA 0.262 61.616 61.300 0.090 0.000 1.247 40 I CB 0.790 38.847 38.000 0.096 0.000 1.460 40 I HN 0.671 nan 8.210 nan 0.000 0.511 41 S N 2.518 118.247 115.700 0.049 0.000 2.439 41 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 41 S C 0.706 175.313 174.600 0.013 0.000 1.029 41 S CA 0.188 58.406 58.200 0.031 0.000 0.946 41 S CB 0.185 63.416 63.200 0.053 0.000 0.797 41 S HN 0.763 nan 8.310 nan 0.000 0.504 42 S N -0.229 115.480 115.700 0.015 0.000 2.607 42 S HA 0.494 4.963 4.470 -0.000 0.000 0.273 42 S C 0.038 174.635 174.600 -0.004 0.000 1.148 42 S CA -0.978 57.223 58.200 0.002 0.000 0.833 42 S CB 1.478 64.680 63.200 0.005 0.000 1.130 42 S HN 0.010 nan 8.310 nan 0.000 0.470 43 K N 0.417 120.807 120.400 -0.016 0.000 2.127 43 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 43 K C 0.662 177.253 176.600 -0.016 0.000 1.047 43 K CA 2.022 58.292 56.287 -0.027 0.000 0.927 43 K CB -0.442 32.041 32.500 -0.028 0.000 0.716 43 K HN 0.573 nan 8.250 nan 0.000 0.450 44 D N 0.848 121.248 120.400 -0.001 0.000 2.351 44 D HA -0.134 4.506 4.640 -0.000 0.000 0.216 44 D C 1.616 177.928 176.300 0.021 0.000 0.968 44 D CA 1.007 55.013 54.000 0.010 0.000 0.899 44 D CB -0.007 40.801 40.800 0.012 0.000 0.907 44 D HN 0.385 nan 8.370 nan 0.000 0.514 45 Q N -0.226 119.587 119.800 0.021 0.000 2.331 45 Q HA 0.130 4.470 4.340 -0.000 0.000 0.203 45 Q C 1.555 177.583 176.000 0.048 0.000 0.944 45 Q CA 0.218 56.046 55.803 0.042 0.000 0.892 45 Q CB 0.407 29.174 28.738 0.049 0.000 0.983 45 Q HN 0.345 nan 8.270 nan 0.000 0.482 46 I N 2.638 123.202 120.570 -0.010 0.000 3.535 46 I HA -0.041 4.129 4.170 -0.000 0.000 0.307 46 I C 0.570 176.681 176.117 -0.010 0.000 1.200 46 I CA -0.280 60.956 61.300 -0.108 0.000 1.193 46 I CB -0.753 37.099 38.000 -0.246 0.000 1.003 46 I HN -0.013 nan 8.210 nan 0.000 0.505 47 V N -1.337 118.650 119.914 0.122 0.000 2.599 47 V HA 0.067 4.187 4.120 -0.000 0.000 0.300 47 V C 0.112 176.388 176.094 0.303 0.000 1.034 47 V CA -0.297 62.105 62.300 0.169 0.000 1.115 47 V CB 0.409 32.296 31.823 0.106 0.000 0.934 47 V HN 0.097 nan 8.190 nan 0.000 0.485 48 D N 5.166 125.731 120.400 0.275 0.000 2.352 48 D HA 0.415 5.055 4.640 -0.000 0.000 0.245 48 D C 0.827 177.202 176.300 0.126 0.000 1.224 48 D CA 0.804 54.959 54.000 0.257 0.000 0.879 48 D CB 1.360 42.327 40.800 0.278 0.000 1.057 48 D HN 0.892 nan 8.370 nan 0.000 0.491 49 G N 1.491 110.330 108.800 0.066 0.000 2.522 49 G HA2 0.222 4.182 3.960 -0.000 0.000 0.223 49 G HA3 0.222 4.182 3.960 -0.000 0.000 0.223 49 G C 0.076 174.996 174.900 0.034 0.000 1.565 49 G CA -0.043 45.072 45.100 0.024 0.000 1.053 49 G HN 0.448 nan 8.290 nan 0.000 0.547 50 S N -3.512 112.197 115.700 0.015 0.000 2.595 50 S HA 0.349 4.819 4.470 -0.000 0.000 0.281 50 S C 0.448 175.079 174.600 0.053 0.000 1.117 50 S CA -0.483 57.742 58.200 0.041 0.000 0.873 50 S CB 1.285 64.495 63.200 0.017 0.000 1.108 50 S HN 0.519 nan 8.310 nan 0.000 0.477 51 Y N 2.842 123.129 120.300 -0.021 0.000 2.207 51 Y HA -0.113 4.437 4.550 -0.000 0.000 0.287 51 Y C 1.988 177.866 175.900 -0.036 0.000 1.156 51 Y CA 2.079 60.174 58.100 -0.009 0.000 1.182 51 Y CB -0.064 38.398 38.460 0.003 0.000 0.979 51 Y HN 0.615 nan 8.280 nan 0.000 0.521 52 M N 0.265 119.905 119.600 0.067 0.000 2.279 52 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 52 M C -0.160 176.085 176.300 -0.092 0.000 1.062 52 M CA 1.628 56.898 55.300 -0.050 0.000 1.099 52 M CB -0.598 31.960 32.600 -0.070 0.000 1.394 52 M HN 0.150 nan 8.290 nan 0.000 0.426 53 K N 0.375 120.725 120.400 -0.084 0.000 2.790 53 K HA 0.294 4.614 4.320 -0.000 0.000 0.253 53 K C -2.603 173.924 176.600 -0.121 0.000 1.082 53 K CA -1.235 54.996 56.287 -0.093 0.000 1.067 53 K CB 1.830 34.296 32.500 -0.057 0.000 1.284 53 K HN -0.065 nan 8.250 nan 0.000 0.529 54 P HA 0.007 nan 4.420 nan 0.000 0.275 54 P C -0.281 176.800 177.300 -0.364 0.000 1.228 54 P CA -0.164 62.788 63.100 -0.246 0.000 0.786 54 P CB 1.191 32.725 31.700 -0.276 0.000 0.927 55 T N 1.133 115.526 114.554 -0.267 0.000 2.780 55 T HA 0.202 4.551 4.350 -0.000 0.000 0.294 55 T C 0.651 175.208 174.700 -0.237 0.000 0.949 55 T CA -0.074 61.897 62.100 -0.215 0.000 1.074 55 T CB -0.328 68.484 68.868 -0.094 0.000 0.910 55 T HN 0.342 nan 8.240 nan 0.000 0.501 56 H N 1.939 121.035 119.070 0.043 0.000 2.539 56 H HA 0.144 4.700 4.556 -0.000 0.000 0.269 56 H C 2.159 177.550 175.328 0.105 0.000 0.980 56 H CA 0.656 56.741 56.048 0.062 0.000 1.152 56 H CB 0.558 30.360 29.762 0.067 0.000 1.407 56 H HN 0.694 nan 8.280 nan 0.000 0.564 57 T N -1.611 113.084 114.554 0.235 0.000 3.054 57 T HA -0.016 4.334 4.350 -0.000 0.000 0.259 57 T C 0.702 175.624 174.700 0.370 0.000 1.092 57 T CA 0.467 62.748 62.100 0.301 0.000 1.121 57 T CB 0.198 69.276 68.868 0.349 0.000 0.912 57 T HN 0.550 nan 8.240 nan 0.000 0.489 58 H N -1.309 117.843 119.070 0.136 0.000 2.865 58 H HA 0.401 4.957 4.556 -0.000 0.000 0.265 58 H C -2.084 173.351 175.328 0.178 0.000 1.477 58 H CA -0.801 55.342 56.048 0.159 0.000 1.157 58 H CB 0.285 30.148 29.762 0.168 0.000 1.858 58 H HN 0.071 nan 8.280 nan 0.000 0.594 59 D N 1.793 122.310 120.400 0.194 0.000 2.343 59 D HA 0.222 4.862 4.640 -0.000 0.000 0.255 59 D C -1.596 174.841 176.300 0.229 0.000 1.187 59 D CA -2.112 52.004 54.000 0.193 0.000 0.875 59 D CB 1.330 42.378 40.800 0.413 0.000 1.136 59 D HN 0.123 nan 8.370 nan 0.000 0.469 60 P HA -0.079 nan 4.420 nan 0.000 0.217 60 P C 0.301 177.804 177.300 0.338 0.000 1.154 60 P CA 0.992 64.217 63.100 0.209 0.000 0.841 60 P CB 0.164 31.956 31.700 0.153 0.000 0.788 61 H N -1.652 117.442 119.070 0.040 0.000 2.567 61 H HA 0.071 4.627 4.556 -0.000 0.000 0.294 61 H C 0.084 175.478 175.328 0.109 0.000 1.050 61 H CA -0.829 55.206 56.048 -0.022 0.000 1.168 61 H CB -2.124 27.684 29.762 0.076 0.000 1.422 61 H HN 0.383 nan 8.280 nan 0.000 0.562 62 H N -1.042 118.295 119.070 0.444 0.000 3.237 62 H HA -0.018 4.538 4.556 -0.000 0.000 0.263 62 H C 1.395 176.952 175.328 0.381 0.000 0.854 62 H CA 0.316 56.612 56.048 0.414 0.000 1.416 62 H CB 0.084 30.056 29.762 0.351 0.000 1.432 62 H HN 0.159 nan 8.280 nan 0.000 0.529 63 V N 1.054 121.166 119.914 0.331 0.000 2.649 63 V HA -0.007 4.112 4.120 -0.000 0.000 0.248 63 V C 1.228 177.407 176.094 0.141 0.000 1.054 63 V CA 0.603 62.960 62.300 0.095 0.000 1.073 63 V CB -0.319 31.435 31.823 -0.116 0.000 0.699 63 V HN 0.672 nan 8.190 nan 0.000 0.463 64 M N 0.737 120.429 119.600 0.153 0.000 2.012 64 M HA 0.308 4.787 4.480 -0.000 0.000 0.248 64 M C -0.081 176.308 176.300 0.149 0.000 1.238 64 M CA -0.563 54.771 55.300 0.058 0.000 0.980 64 M CB 0.043 32.511 32.600 -0.221 0.000 1.346 64 M HN 0.141 nan 8.290 nan 0.000 0.511 65 D N 1.485 121.950 120.400 0.107 0.000 2.472 65 D HA -0.076 4.564 4.640 -0.000 0.000 0.237 65 D C 0.654 176.958 176.300 0.007 0.000 1.141 65 D CA 0.321 54.363 54.000 0.071 0.000 0.875 65 D CB 0.565 41.416 40.800 0.085 0.000 1.192 65 D HN 0.535 nan 8.370 nan 0.000 0.450 66 Q N 1.416 121.080 119.800 -0.227 0.000 2.045 66 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 66 Q C 0.700 176.634 176.000 -0.109 0.000 0.991 66 Q CA 1.676 57.236 55.803 -0.404 0.000 0.851 66 Q CB 0.131 28.544 28.738 -0.542 0.000 0.911 66 Q HN 0.550 nan 8.270 nan 0.000 0.418 67 D N -0.729 119.604 120.400 -0.110 0.000 2.323 67 D HA -0.119 4.521 4.640 -0.000 0.000 0.239 67 D C 1.130 177.411 176.300 -0.031 0.000 1.129 67 D CA -0.018 53.933 54.000 -0.082 0.000 0.865 67 D CB -0.414 40.320 40.800 -0.110 0.000 0.913 67 D HN 0.344 nan 8.370 nan 0.000 0.517 68 Y N 1.239 121.463 120.300 -0.127 0.000 2.060 68 Y HA 0.024 4.574 4.550 -0.000 0.000 0.276 68 Y C 0.207 175.953 175.900 -0.255 0.000 1.127 68 Y CA 1.004 58.947 58.100 -0.263 0.000 1.104 68 Y CB -0.222 37.975 38.460 -0.439 0.000 0.983 68 Y HN -0.179 nan 8.280 nan 0.000 0.483 69 F N 2.520 122.731 119.950 0.436 0.000 2.391 69 F HA 0.456 4.983 4.527 -0.000 0.000 0.359 69 F C -0.401 175.494 175.800 0.158 0.000 1.122 69 F CA -0.800 57.354 58.000 0.258 0.000 1.120 69 F CB 0.693 39.789 39.000 0.159 0.000 1.142 69 F HN 0.024 nan 8.300 nan 0.000 0.483 70 L N 0.684 122.058 121.223 0.251 0.000 2.591 70 L HA 0.931 5.271 4.340 -0.000 0.000 0.257 70 L C -0.855 176.104 176.870 0.148 0.000 0.935 70 L CA -1.329 53.628 54.840 0.196 0.000 0.873 70 L CB 1.396 43.543 42.059 0.147 0.000 1.397 70 L HN 0.524 nan 8.230 nan 0.000 0.414 71 A N 1.581 124.497 122.820 0.160 0.000 2.448 71 A HA 0.468 4.787 4.320 -0.000 0.000 0.239 71 A C 1.176 178.873 177.584 0.188 0.000 1.080 71 A CA 0.294 52.439 52.037 0.179 0.000 0.779 71 A CB 0.514 19.631 19.000 0.194 0.000 1.026 71 A HN 1.207 nan 8.150 nan 0.000 0.499 72 S N 0.360 116.220 115.700 0.267 0.000 2.458 72 S HA 0.501 4.971 4.470 -0.000 0.000 0.223 72 S C 0.647 175.462 174.600 0.359 0.000 1.019 72 S CA 0.758 59.139 58.200 0.303 0.000 0.937 72 S CB -0.327 63.209 63.200 0.560 0.000 0.788 72 S HN 2.222 nan 8.310 nan 0.000 0.511 73 A N -0.022 122.993 122.820 0.325 0.000 2.483 73 A HA 0.715 5.035 4.320 -0.000 0.000 0.294 73 A C -1.835 175.855 177.584 0.177 0.000 1.077 73 A CA -0.925 51.261 52.037 0.249 0.000 0.633 73 A CB 0.229 19.388 19.000 0.266 0.000 1.318 73 A HN 0.309 nan 8.150 nan 0.000 0.455 74 I N -0.167 120.475 120.570 0.119 0.000 2.730 74 I HA 0.671 4.841 4.170 -0.000 0.000 0.298 74 I C -1.213 174.921 176.117 0.029 0.000 1.089 74 I CA -1.120 60.232 61.300 0.087 0.000 1.041 74 I CB 2.321 40.377 38.000 0.093 0.000 1.235 74 I HN 0.400 nan 8.210 nan 0.000 0.423 75 V N 3.432 123.348 119.914 0.003 0.000 2.711 75 V HA 0.532 4.652 4.120 -0.000 0.000 0.304 75 V C -0.404 175.664 176.094 -0.044 0.000 1.097 75 V CA -0.629 61.650 62.300 -0.035 0.000 0.906 75 V CB 1.928 33.714 31.823 -0.063 0.000 1.015 75 V HN 0.816 nan 8.190 nan 0.000 0.427 76 A N 6.683 129.474 122.820 -0.050 0.000 2.280 76 A HA 0.845 5.165 4.320 -0.000 0.000 0.320 76 A C -2.698 174.854 177.584 -0.052 0.000 1.366 76 A CA -1.577 50.428 52.037 -0.054 0.000 0.938 76 A CB 0.427 19.399 19.000 -0.047 0.000 1.157 76 A HN 0.562 nan 8.150 nan 0.000 0.536 77 P HA 0.209 nan 4.420 nan 0.000 0.271 77 P C 0.569 177.844 177.300 -0.043 0.000 1.218 77 P CA -0.259 62.810 63.100 -0.050 0.000 0.780 77 P CB 0.744 32.416 31.700 -0.047 0.000 0.901 78 R N 1.714 122.191 120.500 -0.039 0.000 2.119 78 R HA 0.048 4.388 4.340 -0.000 0.000 0.222 78 R C 0.826 177.109 176.300 -0.027 0.000 1.088 78 R CA 1.000 57.081 56.100 -0.031 0.000 0.984 78 R CB -0.324 29.958 30.300 -0.029 0.000 0.884 78 R HN 0.650 nan 8.270 nan 0.000 0.447 79 N N -2.638 116.044 118.700 -0.029 0.000 3.356 79 N HA -0.044 4.695 4.740 -0.000 0.000 0.246 79 N C 0.586 176.078 175.510 -0.029 0.000 1.480 79 N CA -0.479 52.556 53.050 -0.025 0.000 0.877 79 N CB 0.769 39.244 38.487 -0.020 0.000 1.431 79 N HN -0.270 nan 8.380 nan 0.000 0.500 80 V N 0.805 120.703 119.914 -0.027 0.000 2.277 80 V HA -0.331 3.788 4.120 -0.000 0.000 0.253 80 V C 2.728 178.801 176.094 -0.034 0.000 1.067 80 V CA 3.428 65.709 62.300 -0.032 0.000 1.047 80 V CB -1.455 30.349 31.823 -0.031 0.000 0.649 80 V HN 0.868 nan 8.190 nan 0.000 0.447 81 A N -0.340 122.461 122.820 -0.031 0.000 1.948 81 A HA -0.303 4.016 4.320 -0.000 0.000 0.220 81 A C 1.952 179.515 177.584 -0.034 0.000 1.177 81 A CA 2.278 54.297 52.037 -0.031 0.000 0.636 81 A CB -0.656 18.327 19.000 -0.029 0.000 0.815 81 A HN 0.607 nan 8.150 nan 0.000 0.449 82 D N -0.515 119.862 120.400 -0.037 0.000 2.178 82 D HA -0.056 4.584 4.640 -0.000 0.000 0.202 82 D C 2.070 178.345 176.300 -0.042 0.000 0.974 82 D CA 1.218 55.192 54.000 -0.044 0.000 0.841 82 D CB -0.378 40.392 40.800 -0.049 0.000 0.953 82 D HN 0.258 nan 8.370 nan 0.000 0.478 83 V N 1.046 120.937 119.914 -0.038 0.000 2.261 83 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 83 V C 2.516 178.595 176.094 -0.025 0.000 1.047 83 V CA 1.597 63.877 62.300 -0.033 0.000 1.015 83 V CB -0.618 31.182 31.823 -0.038 0.000 0.642 83 V HN 0.179 nan 8.190 nan 0.000 0.446 84 Q N 0.016 119.800 119.800 -0.027 0.000 2.112 84 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 84 Q C 2.488 178.481 176.000 -0.012 0.000 0.987 84 Q CA 2.204 57.994 55.803 -0.021 0.000 0.858 84 Q CB -0.308 28.414 28.738 -0.026 0.000 0.905 84 Q HN 0.640 nan 8.270 nan 0.000 0.420 85 S N 0.583 116.272 115.700 -0.019 0.000 2.368 85 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 85 S C 1.949 176.543 174.600 -0.010 0.000 1.029 85 S CA 0.868 59.057 58.200 -0.018 0.000 0.988 85 S CB -0.177 63.002 63.200 -0.035 0.000 0.838 85 S HN 0.289 nan 8.310 nan 0.000 0.462 86 I N 1.155 121.712 120.570 -0.021 0.000 2.286 86 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 86 I C 2.219 178.376 176.117 0.066 0.000 1.115 86 I CA 0.796 62.088 61.300 -0.012 0.000 1.392 86 I CB -0.452 37.527 38.000 -0.035 0.000 1.065 86 I HN 0.139 nan 8.210 nan 0.000 0.418 87 V N 1.120 121.061 119.914 0.046 0.000 2.287 87 V HA -0.264 3.855 4.120 -0.000 0.000 0.248 87 V C 2.578 178.721 176.094 0.083 0.000 1.053 87 V CA 2.366 64.704 62.300 0.063 0.000 1.027 87 V CB -1.264 30.576 31.823 0.028 0.000 0.646 87 V HN 0.584 nan 8.190 nan 0.000 0.447 88 G N -0.612 108.224 108.800 0.061 0.000 2.418 88 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 88 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 88 G C 1.561 176.529 174.900 0.113 0.000 1.158 88 G CA 0.965 46.102 45.100 0.062 0.000 0.771 88 G HN 0.474 nan 8.290 nan 0.000 0.545 89 L N 0.693 122.012 121.223 0.159 0.000 2.046 89 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 89 L C 3.440 180.600 176.870 0.483 0.000 1.077 89 L CA 0.969 55.995 54.840 0.311 0.000 0.747 89 L CB -0.555 41.666 42.059 0.271 0.000 0.896 89 L HN 0.299 nan 8.230 nan 0.000 0.432 90 A N 0.727 123.807 122.820 0.432 0.000 1.927 90 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 90 A C 1.996 179.718 177.584 0.230 0.000 1.185 90 A CA 2.559 54.802 52.037 0.343 0.000 0.639 90 A CB -0.951 18.197 19.000 0.247 0.000 0.820 90 A HN 0.562 nan 8.150 nan 0.000 0.451 91 N N -0.870 117.925 118.700 0.159 0.000 2.188 91 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 91 N C 1.832 177.367 175.510 0.041 0.000 1.018 91 N CA 1.388 54.490 53.050 0.087 0.000 0.858 91 N CB -0.170 38.349 38.487 0.053 0.000 0.989 91 N HN 0.619 nan 8.380 nan 0.000 0.426 92 K N 0.400 120.809 120.400 0.014 0.000 2.063 92 K HA -0.110 4.209 4.320 -0.000 0.000 0.208 92 K C 0.754 177.150 176.600 -0.340 0.000 1.048 92 K CA 1.315 57.485 56.287 -0.195 0.000 0.928 92 K CB -0.044 32.273 32.500 -0.305 0.000 0.713 92 K HN 0.149 nan 8.250 nan 0.000 0.442 93 F N 0.339 120.339 119.950 0.083 0.000 2.754 93 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 93 F C 0.861 176.669 175.800 0.014 0.000 1.122 93 F CA 0.128 58.158 58.000 0.049 0.000 1.400 93 F CB 0.484 39.504 39.000 0.033 0.000 1.117 93 F HN -0.118 nan 8.300 nan 0.000 0.587 94 S N -0.112 115.682 115.700 0.157 0.000 3.586 94 S HA -0.262 4.208 4.470 -0.000 0.000 0.309 94 S C 0.067 174.719 174.600 0.087 0.000 1.195 94 S CA -0.032 58.228 58.200 0.100 0.000 0.895 94 S CB -2.258 60.973 63.200 0.051 0.000 0.983 94 S HN 0.307 nan 8.310 nan 0.000 0.563 95 F N 3.758 123.672 119.950 -0.060 0.000 2.456 95 F HA 0.413 4.940 4.527 -0.000 0.000 0.358 95 F C -1.889 173.878 175.800 -0.055 0.000 1.095 95 F CA -1.845 56.048 58.000 -0.178 0.000 1.216 95 F CB 0.719 39.313 39.000 -0.676 0.000 1.125 95 F HN -0.071 nan 8.300 nan 0.000 0.549 96 P HA 0.214 nan 4.420 nan 0.000 0.286 96 P C -0.892 176.605 177.300 0.328 0.000 1.269 96 P CA -0.053 63.165 63.100 0.197 0.000 0.787 96 P CB 1.174 32.926 31.700 0.087 0.000 0.920 97 L N 2.927 124.296 121.223 0.243 0.000 2.375 97 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 97 L C 0.078 177.106 176.870 0.262 0.000 1.058 97 L CA -0.530 54.449 54.840 0.231 0.000 0.803 97 L CB 1.751 43.893 42.059 0.139 0.000 1.212 97 L HN 0.488 nan 8.230 nan 0.000 0.451 98 W N 4.287 125.604 121.300 0.029 0.000 2.822 98 W HA 0.324 4.984 4.660 -0.000 0.000 0.317 98 W C -2.963 173.548 176.519 -0.013 0.000 1.033 98 W CA -1.433 55.904 57.345 -0.013 0.000 1.252 98 W CB 1.957 31.417 29.460 -0.000 0.000 1.186 98 W HN 0.212 nan 8.180 nan 0.000 0.383 99 P HA 0.466 nan 4.420 nan 0.000 0.276 99 P C -0.497 176.664 177.300 -0.232 0.000 1.244 99 P CA 0.145 63.128 63.100 -0.194 0.000 0.801 99 P CB 1.682 33.253 31.700 -0.214 0.000 1.006 100 I N -3.168 117.336 120.570 -0.110 0.000 2.882 100 I HA 0.424 4.594 4.170 -0.000 0.000 0.298 100 I C -0.238 175.839 176.117 -0.066 0.000 1.462 100 I CA -0.614 60.645 61.300 -0.070 0.000 1.000 100 I CB 1.845 39.865 38.000 0.033 0.000 1.340 100 I HN 0.013 nan 8.210 nan 0.000 0.462 101 S N 3.073 118.745 115.700 -0.047 0.000 2.527 101 S HA 0.323 4.793 4.470 -0.000 0.000 0.225 101 S C 1.283 175.874 174.600 -0.016 0.000 1.046 101 S CA 0.457 58.631 58.200 -0.044 0.000 0.929 101 S CB 0.207 63.382 63.200 -0.042 0.000 0.851 101 S HN 0.671 nan 8.310 nan 0.000 0.565 102 I N 0.428 121.014 120.570 0.027 0.000 3.039 102 I HA 0.253 4.422 4.170 -0.000 0.000 0.270 102 I C 2.033 178.249 176.117 0.164 0.000 1.150 102 I CA 1.344 62.689 61.300 0.075 0.000 1.448 102 I CB -1.243 36.795 38.000 0.063 0.000 1.197 102 I HN 0.519 nan 8.210 nan 0.000 0.450 103 G N 1.033 109.923 108.800 0.149 0.000 2.194 103 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.236 103 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.236 103 G C 1.301 176.248 174.900 0.078 0.000 0.987 103 G CA 0.342 45.563 45.100 0.201 0.000 0.635 103 G HN 0.279 nan 8.290 nan 0.000 0.520 104 R N 0.411 120.939 120.500 0.046 0.000 2.328 104 R HA 0.064 4.404 4.340 -0.000 0.000 0.207 104 R C 1.605 177.978 176.300 0.121 0.000 1.056 104 R CA 0.680 56.788 56.100 0.014 0.000 1.016 104 R CB -0.361 29.866 30.300 -0.122 0.000 0.872 104 R HN 0.527 nan 8.270 nan 0.000 0.471 105 N N 1.896 120.676 118.700 0.135 0.000 2.585 105 N HA -0.066 4.674 4.740 -0.000 0.000 0.213 105 N C -0.542 175.085 175.510 0.195 0.000 1.385 105 N CA -0.293 52.876 53.050 0.199 0.000 0.871 105 N CB 0.168 38.752 38.487 0.162 0.000 1.154 105 N HN 0.171 nan 8.380 nan 0.000 0.474 106 S N -1.176 114.579 115.700 0.092 0.000 2.559 106 S HA 0.182 4.652 4.470 -0.000 0.000 0.282 106 S C 1.376 175.846 174.600 -0.216 0.000 1.336 106 S CA 0.144 58.262 58.200 -0.138 0.000 1.037 106 S CB 1.185 64.138 63.200 -0.412 0.000 0.853 106 S HN 0.420 nan 8.310 nan 0.000 0.523 107 G N 0.738 109.334 108.800 -0.341 0.000 2.159 107 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 107 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 107 G C -0.014 174.717 174.900 -0.281 0.000 0.977 107 G CA 0.584 45.370 45.100 -0.523 0.000 0.652 107 G HN 0.924 nan 8.290 nan 0.000 0.531 108 Y N -0.997 119.397 120.300 0.156 0.000 2.888 108 Y HA 0.439 4.989 4.550 -0.000 0.000 0.260 108 Y C 1.693 177.452 175.900 -0.237 0.000 1.113 108 Y CA -0.091 58.072 58.100 0.104 0.000 1.237 108 Y CB 0.795 39.313 38.460 0.097 0.000 1.307 108 Y HN 1.089 nan 8.280 nan 0.000 0.580 109 G N -0.394 108.287 108.800 -0.197 0.000 2.176 109 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.232 109 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.232 109 G C 1.034 175.886 174.900 -0.080 0.000 0.986 109 G CA 0.281 45.153 45.100 -0.381 0.000 0.643 109 G HN 1.174 nan 8.290 nan 0.000 0.522 110 G N 0.079 108.875 108.800 -0.007 0.000 2.574 110 G HA2 0.133 4.092 3.960 -0.000 0.000 0.282 110 G HA3 0.133 4.092 3.960 -0.000 0.000 0.282 110 G C 1.392 176.334 174.900 0.070 0.000 1.257 110 G CA 2.222 47.331 45.100 0.015 0.000 0.956 110 G HN 1.937 nan 8.290 nan 0.000 0.560 111 A N 0.183 123.052 122.820 0.081 0.000 2.209 111 A HA 0.595 4.915 4.320 -0.000 0.000 0.212 111 A C 1.825 179.481 177.584 0.120 0.000 1.158 111 A CA 1.850 53.989 52.037 0.170 0.000 0.742 111 A CB -0.821 18.329 19.000 0.249 0.000 0.790 111 A HN 2.452 nan 8.150 nan 0.000 0.472 112 A N 1.362 124.188 122.820 0.011 0.000 2.511 112 A HA 0.481 4.800 4.320 -0.000 0.000 0.242 112 A C -2.212 175.036 177.584 -0.560 0.000 1.069 112 A CA -0.861 51.115 52.037 -0.103 0.000 0.763 112 A CB -0.114 18.905 19.000 0.033 0.000 1.001 112 A HN 0.316 nan 8.150 nan 0.000 0.498 113 P HA 0.305 nan 4.420 nan 0.000 0.284 113 P C 0.381 177.049 177.300 -1.053 0.000 1.258 113 P CA -0.582 61.556 63.100 -1.604 0.000 0.824 113 P CB 1.257 32.510 31.700 -0.745 0.000 1.038 114 R N 2.459 122.187 120.500 -1.286 0.000 2.070 114 R HA -0.042 4.298 4.340 -0.000 0.000 0.233 114 R C 0.424 176.742 176.300 0.029 0.000 1.137 114 R CA 1.376 57.138 56.100 -0.564 0.000 0.945 114 R CB -1.270 28.777 30.300 -0.422 0.000 0.845 114 R HN 0.372 nan 8.270 nan 0.000 0.430 115 V N 1.435 121.324 119.914 -0.041 0.000 2.364 115 V HA 0.379 4.498 4.120 -0.000 0.000 0.272 115 V C -0.597 175.571 176.094 0.124 0.000 1.036 115 V CA -0.572 61.797 62.300 0.115 0.000 0.880 115 V CB 1.265 33.020 31.823 -0.114 0.000 0.991 115 V HN 0.365 nan 8.190 nan 0.000 0.460 116 S N 4.913 120.758 115.700 0.242 0.000 2.568 116 S HA 0.495 4.965 4.470 -0.000 0.000 0.282 116 S C 1.261 175.929 174.600 0.114 0.000 1.338 116 S CA 0.612 58.911 58.200 0.166 0.000 1.045 116 S CB 0.967 64.246 63.200 0.131 0.000 0.873 116 S HN 2.174 nan 8.310 nan 0.000 0.516 117 G N 2.001 110.868 108.800 0.111 0.000 2.157 117 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.239 117 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.239 117 G C 0.178 175.196 174.900 0.196 0.000 0.982 117 G CA 0.089 45.260 45.100 0.119 0.000 0.650 117 G HN 0.695 nan 8.290 nan 0.000 0.527 118 S N -0.832 114.987 115.700 0.200 0.000 2.603 118 S HA 0.549 5.019 4.470 -0.000 0.000 0.268 118 S C 0.667 175.539 174.600 0.453 0.000 1.317 118 S CA -0.282 58.108 58.200 0.317 0.000 1.012 118 S CB 2.111 65.442 63.200 0.219 0.000 0.926 118 S HN 0.620 nan 8.310 nan 0.000 0.539 119 V N 2.405 122.638 119.914 0.531 0.000 2.509 119 V HA 0.262 4.382 4.120 -0.000 0.000 0.284 119 V C -0.139 176.113 176.094 0.264 0.000 1.047 119 V CA -0.504 61.993 62.300 0.328 0.000 0.952 119 V CB 1.498 33.414 31.823 0.155 0.000 0.988 119 V HN 0.634 nan 8.190 nan 0.000 0.469 120 V N 6.547 126.589 119.914 0.213 0.000 2.383 120 V HA 0.313 4.432 4.120 -0.000 0.000 0.275 120 V C -0.125 176.039 176.094 0.116 0.000 1.036 120 V CA -0.573 61.853 62.300 0.210 0.000 0.889 120 V CB 1.317 33.264 31.823 0.205 0.000 0.985 120 V HN 0.557 nan 8.190 nan 0.000 0.459 121 L N 4.717 125.994 121.223 0.090 0.000 2.315 121 L HA 0.317 4.656 4.340 -0.000 0.000 0.283 121 L C 0.535 177.382 176.870 -0.038 0.000 1.089 121 L CA 0.352 55.199 54.840 0.012 0.000 0.833 121 L CB 0.448 42.503 42.059 -0.008 0.000 1.170 121 L HN 0.549 nan 8.230 nan 0.000 0.442 122 D N 4.171 124.523 120.400 -0.080 0.000 2.453 122 D HA 0.064 4.704 4.640 -0.000 0.000 0.223 122 D C 0.936 177.171 176.300 -0.108 0.000 1.183 122 D CA -0.180 53.725 54.000 -0.158 0.000 0.933 122 D CB 0.745 41.409 40.800 -0.227 0.000 1.038 122 D HN 0.348 nan 8.370 nan 0.000 0.513 123 M N 2.024 121.569 119.600 -0.092 0.000 2.254 123 M HA 0.022 4.501 4.480 -0.000 0.000 0.265 123 M C 2.046 178.307 176.300 -0.066 0.000 1.066 123 M CA 0.629 55.886 55.300 -0.072 0.000 1.123 123 M CB -1.029 31.528 32.600 -0.071 0.000 1.388 123 M HN 0.415 nan 8.290 nan 0.000 0.425 124 G N 0.545 109.301 108.800 -0.073 0.000 2.418 124 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 124 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 124 G C 1.704 176.582 174.900 -0.038 0.000 1.158 124 G CA 1.132 46.201 45.100 -0.051 0.000 0.771 124 G HN 0.456 nan 8.290 nan 0.000 0.545 125 K N 0.409 120.780 120.400 -0.048 0.000 1.988 125 K HA -0.211 4.108 4.320 -0.000 0.000 0.221 125 K C 2.246 178.836 176.600 -0.018 0.000 1.053 125 K CA 1.909 58.181 56.287 -0.025 0.000 0.959 125 K CB -0.217 32.263 32.500 -0.032 0.000 0.728 125 K HN 0.229 nan 8.250 nan 0.000 0.447 126 N N -0.018 118.667 118.700 -0.026 0.000 2.333 126 N HA -0.019 4.721 4.740 -0.000 0.000 0.178 126 N C 0.271 175.770 175.510 -0.019 0.000 1.018 126 N CA 0.828 53.867 53.050 -0.020 0.000 0.882 126 N CB 0.128 38.602 38.487 -0.022 0.000 0.984 126 N HN 0.294 nan 8.380 nan 0.000 0.434 127 M N 0.829 120.414 119.600 -0.026 0.000 2.365 127 M HA 0.193 4.673 4.480 -0.000 0.000 0.350 127 M C 0.554 176.837 176.300 -0.028 0.000 1.274 127 M CA 0.032 55.318 55.300 -0.025 0.000 1.252 127 M CB 0.494 33.076 32.600 -0.030 0.000 1.297 127 M HN 0.054 nan 8.290 nan 0.000 0.438 128 N N 1.128 119.815 118.700 -0.021 0.000 2.227 128 N HA 0.124 4.864 4.740 -0.000 0.000 0.196 128 N C -0.101 175.391 175.510 -0.030 0.000 1.142 128 N CA -0.244 52.794 53.050 -0.021 0.000 0.887 128 N CB 0.825 39.309 38.487 -0.005 0.000 1.022 128 N HN 0.533 nan 8.380 nan 0.000 0.500 129 R N 1.197 121.679 120.500 -0.031 0.000 2.585 129 R HA 0.080 4.420 4.340 -0.000 0.000 0.275 129 R C -0.401 175.840 176.300 -0.098 0.000 1.018 129 R CA 0.054 56.127 56.100 -0.045 0.000 1.072 129 R CB 1.056 31.342 30.300 -0.024 0.000 0.953 129 R HN -0.096 nan 8.270 nan 0.000 0.419 130 V N 6.206 126.028 119.914 -0.154 0.000 2.339 130 V HA 0.024 4.143 4.120 -0.000 0.000 0.261 130 V C 1.488 177.435 176.094 -0.244 0.000 1.058 130 V CA 0.013 62.134 62.300 -0.298 0.000 0.897 130 V CB 0.719 32.163 31.823 -0.631 0.000 1.052 130 V HN 0.751 nan 8.190 nan 0.000 0.480 131 L N 3.012 124.134 121.223 -0.168 0.000 2.275 131 L HA 0.162 4.502 4.340 -0.000 0.000 0.215 131 L C 1.016 177.831 176.870 -0.091 0.000 1.119 131 L CA 1.161 55.947 54.840 -0.091 0.000 0.790 131 L CB 0.052 42.083 42.059 -0.047 0.000 0.919 131 L HN 0.751 nan 8.230 nan 0.000 0.443 132 E N -1.121 118.979 120.200 -0.167 0.000 2.393 132 E HA 0.341 4.691 4.350 -0.000 0.000 0.282 132 E C -1.894 174.592 176.600 -0.190 0.000 1.096 132 E CA -0.460 55.863 56.400 -0.128 0.000 0.866 132 E CB 1.980 31.640 29.700 -0.067 0.000 1.232 132 E HN -0.263 nan 8.360 nan 0.000 0.431 133 V N 3.208 123.033 119.914 -0.148 0.000 2.612 133 V HA 0.466 4.586 4.120 -0.000 0.000 0.301 133 V C -0.909 175.059 176.094 -0.209 0.000 1.059 133 V CA -0.923 61.277 62.300 -0.166 0.000 0.886 133 V CB 1.822 33.647 31.823 0.002 0.000 1.007 133 V HN 0.601 nan 8.190 nan 0.000 0.426 134 N N 3.587 122.038 118.700 -0.416 0.000 2.399 134 N HA 0.390 5.130 4.740 -0.000 0.000 0.284 134 N C 0.393 175.721 175.510 -0.303 0.000 1.025 134 N CA -0.404 52.404 53.050 -0.404 0.000 0.885 134 N CB 2.372 40.442 38.487 -0.696 0.000 1.339 134 N HN 0.257 nan 8.380 nan 0.000 0.487 135 V N 3.521 123.344 119.914 -0.151 0.000 2.379 135 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 135 V C 1.859 177.913 176.094 -0.067 0.000 1.044 135 V CA 1.616 63.865 62.300 -0.086 0.000 1.036 135 V CB -0.408 31.385 31.823 -0.050 0.000 0.664 135 V HN 0.674 nan 8.190 nan 0.000 0.453 136 E N 0.820 120.985 120.200 -0.057 0.000 2.107 136 E HA -0.075 4.274 4.350 -0.000 0.000 0.191 136 E C 2.289 178.888 176.600 -0.002 0.000 0.982 136 E CA 1.159 57.544 56.400 -0.024 0.000 0.809 136 E CB -0.351 29.345 29.700 -0.007 0.000 0.756 136 E HN 0.637 nan 8.360 nan 0.000 0.459 137 G N 0.627 109.435 108.800 0.014 0.000 2.623 137 G HA2 0.132 4.092 3.960 -0.000 0.000 0.214 137 G HA3 0.132 4.092 3.960 -0.000 0.000 0.214 137 G C 0.826 175.823 174.900 0.161 0.000 1.138 137 G CA 0.224 45.430 45.100 0.177 0.000 0.794 137 G HN 0.294 nan 8.290 nan 0.000 0.535 138 A N -1.598 121.220 122.820 -0.003 0.000 2.739 138 A HA 0.002 4.321 4.320 -0.000 0.000 0.296 138 A C 0.150 177.828 177.584 0.156 0.000 1.488 138 A CA 1.416 53.460 52.037 0.012 0.000 0.746 138 A CB -2.600 16.398 19.000 -0.004 0.000 1.047 138 A HN 1.871 nan 8.150 nan 0.000 0.477 139 Y N -3.629 116.719 120.300 0.080 0.000 2.744 139 Y HA 0.747 5.297 4.550 -0.000 0.000 0.330 139 Y C -0.001 175.897 175.900 -0.004 0.000 1.263 139 Y CA -1.316 56.859 58.100 0.125 0.000 1.065 139 Y CB 0.173 38.794 38.460 0.270 0.000 1.306 139 Y HN 1.285 nan 8.280 nan 0.000 0.459 140 C N -0.329 119.077 119.300 0.176 0.000 3.323 140 C HA 0.954 5.414 4.460 -0.000 0.000 0.324 140 C C -1.365 173.582 174.990 -0.071 0.000 1.428 140 C CA -1.022 57.967 59.018 -0.049 0.000 1.368 140 C CB 1.394 29.058 27.740 -0.127 0.000 1.731 140 C HN 0.913 nan 8.230 nan 0.000 0.455 141 V N 0.588 120.374 119.914 -0.213 0.000 2.876 141 V HA 0.906 5.026 4.120 -0.000 0.000 0.312 141 V C -0.564 175.381 176.094 -0.250 0.000 1.085 141 V CA -0.345 61.753 62.300 -0.337 0.000 0.945 141 V CB 1.769 33.326 31.823 -0.444 0.000 1.017 141 V HN 0.982 nan 8.190 nan 0.000 0.428 142 V N 2.268 122.048 119.914 -0.223 0.000 3.087 142 V HA 0.465 4.584 4.120 -0.000 0.000 0.306 142 V C -0.545 175.479 176.094 -0.118 0.000 1.187 142 V CA -0.807 61.390 62.300 -0.171 0.000 0.999 142 V CB 2.463 34.172 31.823 -0.189 0.000 1.049 142 V HN 0.952 nan 8.190 nan 0.000 0.431 143 E N 2.859 123.002 120.200 -0.095 0.000 2.292 143 E HA 0.325 4.675 4.350 -0.000 0.000 0.258 143 E C -1.888 174.666 176.600 -0.076 0.000 1.115 143 E CA -1.644 54.717 56.400 -0.065 0.000 0.929 143 E CB 1.079 30.752 29.700 -0.045 0.000 1.161 143 E HN 0.379 nan 8.360 nan 0.000 0.453 144 P HA -0.156 nan 4.420 nan 0.000 0.217 144 P C 1.184 178.448 177.300 -0.059 0.000 1.148 144 P CA 1.360 64.421 63.100 -0.065 0.000 0.828 144 P CB 0.016 31.680 31.700 -0.059 0.000 0.783 145 G N -0.447 108.323 108.800 -0.051 0.000 2.432 145 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 145 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 145 G C 0.416 175.294 174.900 -0.036 0.000 1.135 145 G CA 0.159 45.238 45.100 -0.036 0.000 0.767 145 G HN 0.182 nan 8.290 nan 0.000 0.550 146 V N 2.585 122.459 119.914 -0.067 0.000 2.450 146 V HA 0.257 4.376 4.120 -0.000 0.000 0.281 146 V C 1.088 177.124 176.094 -0.096 0.000 1.019 146 V CA 0.251 62.504 62.300 -0.079 0.000 1.062 146 V CB -0.073 31.671 31.823 -0.131 0.000 0.979 146 V HN 0.439 nan 8.190 nan 0.000 0.477 147 T N 1.955 116.499 114.554 -0.015 0.000 2.881 147 T HA 0.361 4.711 4.350 -0.000 0.000 0.278 147 T C 0.889 175.605 174.700 0.026 0.000 0.982 147 T CA -0.278 61.847 62.100 0.042 0.000 0.989 147 T CB 0.702 69.679 68.868 0.181 0.000 1.058 147 T HN 0.371 nan 8.240 nan 0.000 0.529 148 Y N -0.116 120.247 120.300 0.104 0.000 2.114 148 Y HA -0.082 4.468 4.550 -0.000 0.000 0.284 148 Y C 2.906 178.870 175.900 0.107 0.000 1.143 148 Y CA 2.145 60.285 58.100 0.068 0.000 1.135 148 Y CB -1.079 37.401 38.460 0.032 0.000 0.980 148 Y HN 0.825 nan 8.280 nan 0.000 0.499 149 H N -0.124 119.099 119.070 0.255 0.000 2.353 149 H HA -0.189 4.367 4.556 -0.000 0.000 0.298 149 H C 1.775 177.233 175.328 0.217 0.000 1.103 149 H CA 2.078 58.261 56.048 0.226 0.000 1.293 149 H CB -0.304 29.613 29.762 0.258 0.000 1.372 149 H HN 0.287 nan 8.280 nan 0.000 0.501 150 D N -0.119 120.447 120.400 0.276 0.000 2.092 150 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 150 D C 2.275 178.663 176.300 0.146 0.000 0.994 150 D CA 0.930 55.038 54.000 0.179 0.000 0.828 150 D CB -0.658 40.204 40.800 0.105 0.000 0.963 150 D HN 0.208 nan 8.370 nan 0.000 0.450 151 L N 0.691 121.967 121.223 0.088 0.000 2.042 151 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 151 L C 2.238 179.177 176.870 0.115 0.000 1.076 151 L CA 1.865 56.733 54.840 0.048 0.000 0.749 151 L CB -0.879 41.160 42.059 -0.033 0.000 0.893 151 L HN 0.236 nan 8.230 nan 0.000 0.432 152 H N -0.592 118.499 119.070 0.035 0.000 2.319 152 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 152 H C 1.832 177.180 175.328 0.033 0.000 1.092 152 H CA 2.017 58.063 56.048 -0.003 0.000 1.302 152 H CB 0.129 29.833 29.762 -0.096 0.000 1.373 152 H HN 0.403 nan 8.280 nan 0.000 0.497 153 N N 0.466 119.193 118.700 0.045 0.000 2.043 153 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 153 N C 1.925 177.427 175.510 -0.014 0.000 1.037 153 N CA 1.372 54.414 53.050 -0.013 0.000 0.851 153 N CB -1.165 37.394 38.487 0.121 0.000 1.027 153 N HN 0.436 nan 8.380 nan 0.000 0.422 154 Y N 1.319 121.584 120.300 -0.057 0.000 2.256 154 Y HA -0.099 4.451 4.550 -0.000 0.000 0.288 154 Y C 2.005 177.855 175.900 -0.085 0.000 1.155 154 Y CA 1.261 59.327 58.100 -0.057 0.000 1.203 154 Y CB -0.281 38.156 38.460 -0.039 0.000 0.980 154 Y HN 0.037 nan 8.280 nan 0.000 0.530 155 L N -0.340 120.954 121.223 0.118 0.000 2.072 155 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 155 L C 2.522 179.320 176.870 -0.120 0.000 1.079 155 L CA 1.734 56.589 54.840 0.025 0.000 0.752 155 L CB -0.484 41.567 42.059 -0.013 0.000 0.906 155 L HN 0.211 nan 8.230 nan 0.000 0.436 156 E N 0.116 120.189 120.200 -0.212 0.000 2.106 156 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 156 E C 2.205 178.710 176.600 -0.159 0.000 0.984 156 E CA 1.000 57.268 56.400 -0.220 0.000 0.806 156 E CB 0.072 29.567 29.700 -0.342 0.000 0.750 156 E HN 0.453 nan 8.360 nan 0.000 0.458 157 A N 1.155 123.874 122.820 -0.169 0.000 1.873 157 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 157 A C 1.693 179.165 177.584 -0.188 0.000 1.186 157 A CA 1.699 53.639 52.037 -0.161 0.000 0.616 157 A CB -0.639 18.252 19.000 -0.182 0.000 0.823 157 A HN 0.283 nan 8.150 nan 0.000 0.442 158 N N 0.201 118.741 118.700 -0.266 0.000 2.515 158 N HA -0.027 4.713 4.740 -0.000 0.000 0.191 158 N C -0.097 175.331 175.510 -0.137 0.000 1.182 158 N CA 0.435 53.340 53.050 -0.242 0.000 0.879 158 N CB 0.008 38.272 38.487 -0.373 0.000 0.984 158 N HN 0.431 nan 8.380 nan 0.000 0.453 159 N N -0.639 117.993 118.700 -0.113 0.000 2.815 159 N HA -0.203 4.537 4.740 -0.000 0.000 0.247 159 N C 0.363 175.845 175.510 -0.047 0.000 1.030 159 N CA 0.633 53.641 53.050 -0.071 0.000 0.881 159 N CB -1.310 37.144 38.487 -0.055 0.000 1.134 159 N HN 0.369 nan 8.380 nan 0.000 0.582 160 L N -0.038 121.155 121.223 -0.050 0.000 2.465 160 L HA 0.027 4.367 4.340 -0.000 0.000 0.224 160 L C 2.437 179.315 176.870 0.014 0.000 1.145 160 L CA 0.429 55.262 54.840 -0.012 0.000 0.834 160 L CB -0.200 41.860 42.059 0.001 0.000 0.944 160 L HN 0.100 nan 8.230 nan 0.000 0.451 161 R N 0.869 121.358 120.500 -0.018 0.000 2.200 161 R HA -0.185 4.154 4.340 -0.000 0.000 0.234 161 R C 1.123 177.475 176.300 0.086 0.000 1.127 161 R CA 1.478 57.572 56.100 -0.010 0.000 0.989 161 R CB -0.361 29.872 30.300 -0.111 0.000 0.869 161 R HN 0.384 nan 8.270 nan 0.000 0.459 162 D N -0.258 120.192 120.400 0.082 0.000 2.234 162 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 162 D C 1.622 178.019 176.300 0.161 0.000 0.962 162 D CA 0.732 54.816 54.000 0.139 0.000 0.855 162 D CB 0.164 41.015 40.800 0.084 0.000 0.951 162 D HN 0.079 nan 8.370 nan 0.000 0.500 163 K N -0.254 120.212 120.400 0.110 0.000 2.186 163 K HA 0.185 4.504 4.320 -0.000 0.000 0.202 163 K C 0.540 177.189 176.600 0.082 0.000 1.052 163 K CA 0.443 56.772 56.287 0.070 0.000 0.965 163 K CB 0.882 33.401 32.500 0.032 0.000 0.746 163 K HN 0.179 nan 8.250 nan 0.000 0.457 164 L N -0.016 121.305 121.223 0.163 0.000 2.526 164 L HA 0.320 4.659 4.340 -0.000 0.000 0.263 164 L C -1.435 175.656 176.870 0.367 0.000 0.943 164 L CA -0.942 54.003 54.840 0.176 0.000 0.859 164 L CB 1.618 43.721 42.059 0.073 0.000 1.313 164 L HN -0.118 nan 8.230 nan 0.000 0.406 165 W N 3.034 124.288 121.300 -0.077 0.000 2.438 165 W HA 0.640 5.299 4.660 -0.000 0.000 0.324 165 W C -0.241 176.239 176.519 -0.065 0.000 1.119 165 W CA -0.774 56.536 57.345 -0.059 0.000 1.221 165 W CB 0.973 30.387 29.460 -0.078 0.000 1.253 165 W HN 0.196 nan 8.180 nan 0.000 0.555 166 L N 3.009 124.326 121.223 0.157 0.000 2.357 166 L HA 0.278 4.618 4.340 -0.000 0.000 0.273 166 L C 0.452 177.406 176.870 0.140 0.000 1.080 166 L CA -0.650 54.265 54.840 0.124 0.000 0.803 166 L CB 0.917 43.053 42.059 0.128 0.000 1.174 166 L HN 0.327 nan 8.230 nan 0.000 0.443 167 D N 1.836 122.333 120.400 0.162 0.000 2.193 167 D HA 0.504 5.144 4.640 -0.000 0.000 0.249 167 D C -1.072 175.320 176.300 0.154 0.000 1.034 167 D CA -0.197 53.922 54.000 0.198 0.000 0.902 167 D CB 2.144 43.122 40.800 0.297 0.000 1.182 167 D HN 0.276 nan 8.370 nan 0.000 0.436 168 V N 0.117 120.093 119.914 0.103 0.000 3.012 168 V HA 0.617 4.737 4.120 -0.000 0.000 0.307 168 V C -2.887 173.196 176.094 -0.018 0.000 1.166 168 V CA -1.761 60.476 62.300 -0.105 0.000 0.974 168 V CB 1.743 33.479 31.823 -0.144 0.000 1.040 168 V HN 0.432 nan 8.190 nan 0.000 0.428 169 P HA 0.358 nan 4.420 nan 0.000 0.307 169 P C 0.024 177.396 177.300 0.121 0.000 1.306 169 P CA 0.054 63.176 63.100 0.036 0.000 0.742 169 P CB 0.808 32.490 31.700 -0.031 0.000 1.349 170 D N -0.643 119.876 120.400 0.200 0.000 2.096 170 D HA -0.010 4.630 4.640 -0.000 0.000 0.214 170 D C 0.754 177.019 176.300 -0.058 0.000 0.974 170 D CA 1.013 55.054 54.000 0.069 0.000 0.890 170 D CB -0.736 40.125 40.800 0.102 0.000 1.016 170 D HN 0.218 nan 8.370 nan 0.000 0.447 171 L N 1.502 122.703 121.223 -0.037 0.000 2.513 171 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 171 L C 1.693 178.530 176.870 -0.056 0.000 1.187 171 L CA -0.251 54.507 54.840 -0.138 0.000 0.895 171 L CB 0.609 42.565 42.059 -0.171 0.000 1.147 171 L HN 0.108 nan 8.230 nan 0.000 0.483 172 G N 2.225 110.862 108.800 -0.272 0.000 2.848 172 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.208 172 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.208 172 G C 1.277 176.417 174.900 0.400 0.000 1.152 172 G CA 0.442 45.534 45.100 -0.014 0.000 0.789 172 G HN 0.904 nan 8.290 nan 0.000 0.531 173 G N 0.693 109.860 108.800 0.612 0.000 2.448 173 G HA2 0.245 4.205 3.960 -0.000 0.000 0.218 173 G HA3 0.245 4.205 3.960 -0.000 0.000 0.218 173 G C 1.122 176.236 174.900 0.356 0.000 1.135 173 G CA 0.484 45.919 45.100 0.558 0.000 0.784 173 G HN 0.608 nan 8.290 nan 0.000 0.543 174 G N -0.004 109.042 108.800 0.410 0.000 2.760 174 G HA2 0.284 4.244 3.960 -0.000 0.000 0.236 174 G HA3 0.284 4.244 3.960 -0.000 0.000 0.236 174 G C 0.288 175.380 174.900 0.321 0.000 1.243 174 G CA 0.492 45.808 45.100 0.360 0.000 0.850 174 G HN 0.367 nan 8.290 nan 0.000 0.595 175 S N -0.573 115.230 115.700 0.172 0.000 2.523 175 S HA 0.168 4.638 4.470 -0.000 0.000 0.275 175 S C 1.550 176.078 174.600 -0.120 0.000 1.281 175 S CA -0.639 57.567 58.200 0.011 0.000 1.050 175 S CB 1.188 64.389 63.200 0.002 0.000 0.937 175 S HN 0.431 nan 8.310 nan 0.000 0.492 176 V N 5.874 125.518 119.914 -0.450 0.000 2.332 176 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 176 V C 2.187 178.129 176.094 -0.254 0.000 1.055 176 V CA 2.220 64.094 62.300 -0.710 0.000 1.038 176 V CB -1.020 30.351 31.823 -0.753 0.000 0.651 176 V HN 0.923 nan 8.190 nan 0.000 0.450 177 L N 0.604 121.730 121.223 -0.162 0.000 2.209 177 L HA 0.327 4.667 4.340 -0.000 0.000 0.207 177 L C 2.310 179.171 176.870 -0.015 0.000 1.094 177 L CA 2.076 56.871 54.840 -0.074 0.000 0.790 177 L CB -1.920 40.090 42.059 -0.082 0.000 0.932 177 L HN 0.097 nan 8.230 nan 0.000 0.447 178 G N 0.349 109.139 108.800 -0.017 0.000 2.440 178 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 178 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 178 G C 1.609 176.540 174.900 0.052 0.000 1.154 178 G CA 0.883 45.985 45.100 0.004 0.000 0.767 178 G HN 0.532 nan 8.290 nan 0.000 0.552 179 N N 1.499 120.272 118.700 0.123 0.000 2.188 179 N HA -0.040 4.700 4.740 -0.000 0.000 0.184 179 N C 2.469 178.105 175.510 0.210 0.000 1.018 179 N CA 1.362 54.533 53.050 0.202 0.000 0.858 179 N CB -0.314 38.385 38.487 0.353 0.000 0.989 179 N HN 0.231 nan 8.380 nan 0.000 0.426 180 A N 0.857 123.792 122.820 0.191 0.000 1.969 180 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 180 A C 2.420 180.177 177.584 0.287 0.000 1.169 180 A CA 1.801 53.999 52.037 0.268 0.000 0.635 180 A CB -0.825 18.298 19.000 0.205 0.000 0.810 180 A HN 0.291 nan 8.150 nan 0.000 0.445 181 V N -2.826 117.163 119.914 0.124 0.000 2.667 181 V HA -0.073 4.046 4.120 -0.000 0.000 0.252 181 V C 1.659 177.642 176.094 -0.184 0.000 1.065 181 V CA 1.985 64.261 62.300 -0.040 0.000 1.083 181 V CB -0.612 31.168 31.823 -0.071 0.000 0.692 181 V HN 0.423 nan 8.190 nan 0.000 0.468 182 E N 0.718 120.868 120.200 -0.084 0.000 2.358 182 E HA 0.057 4.407 4.350 -0.000 0.000 0.195 182 E C 0.710 177.266 176.600 -0.074 0.000 1.010 182 E CA 0.341 56.660 56.400 -0.135 0.000 0.856 182 E CB -0.092 29.536 29.700 -0.119 0.000 0.795 182 E HN 0.740 nan 8.360 nan 0.000 0.504 183 R N -0.602 119.929 120.500 0.052 0.000 3.407 183 R HA -0.115 4.224 4.340 -0.000 0.000 0.277 183 R C 0.521 176.968 176.300 0.245 0.000 1.119 183 R CA 0.354 56.557 56.100 0.171 0.000 0.750 183 R CB -2.303 28.064 30.300 0.112 0.000 1.258 183 R HN 0.159 nan 8.270 nan 0.000 0.432 184 G N 0.061 108.994 108.800 0.222 0.000 2.569 184 G HA2 0.448 4.407 3.960 -0.000 0.000 0.249 184 G HA3 0.448 4.407 3.960 -0.000 0.000 0.249 184 G C 0.297 175.137 174.900 -0.100 0.000 1.216 184 G CA -0.504 44.706 45.100 0.184 0.000 0.845 184 G HN 0.041 nan 8.290 nan 0.000 0.568 185 V N 0.428 120.198 119.914 -0.240 0.000 2.686 185 V HA 0.721 4.841 4.120 -0.000 0.000 0.295 185 V C 1.028 176.654 176.094 -0.779 0.000 1.057 185 V CA 0.358 62.309 62.300 -0.581 0.000 1.012 185 V CB 1.252 32.752 31.823 -0.538 0.000 1.006 185 V HN 1.046 nan 8.190 nan 0.000 0.477 186 G N 1.258 109.470 108.800 -0.980 0.000 2.680 186 G HA2 0.523 4.483 3.960 -0.000 0.000 0.290 186 G HA3 0.523 4.483 3.960 -0.000 0.000 0.290 186 G C -0.706 173.682 174.900 -0.852 0.000 1.355 186 G CA -0.355 44.323 45.100 -0.704 0.000 0.903 186 G HN 0.555 nan 8.290 nan 0.000 0.474 187 Y N -0.070 120.254 120.300 0.041 0.000 2.476 187 Y HA 0.125 4.674 4.550 -0.000 0.000 0.283 187 Y C 2.438 178.413 175.900 0.125 0.000 1.109 187 Y CA 0.548 58.680 58.100 0.053 0.000 1.246 187 Y CB -0.328 38.142 38.460 0.016 0.000 1.068 187 Y HN 0.589 nan 8.280 nan 0.000 0.552 188 T N -1.793 112.903 114.554 0.237 0.000 2.801 188 T HA 0.112 4.461 4.350 -0.000 0.000 0.324 188 T C -1.693 173.065 174.700 0.097 0.000 1.088 188 T CA -1.395 60.843 62.100 0.230 0.000 0.975 188 T CB 0.290 69.299 68.868 0.234 0.000 1.316 188 T HN -0.235 nan 8.240 nan 0.000 0.533 189 P HA 0.051 nan 4.420 nan 0.000 0.223 189 P C 0.298 177.658 177.300 0.100 0.000 1.151 189 P CA 0.862 63.949 63.100 -0.021 0.000 0.787 189 P CB -0.168 31.465 31.700 -0.111 0.000 0.788 190 Y N -0.977 119.319 120.300 -0.007 0.000 2.547 190 Y HA 0.262 4.812 4.550 -0.000 0.000 0.325 190 Y C 2.171 178.117 175.900 0.077 0.000 1.165 190 Y CA -0.301 57.839 58.100 0.067 0.000 1.300 190 Y CB -1.239 37.295 38.460 0.122 0.000 1.126 190 Y HN -0.061 nan 8.280 nan 0.000 0.513 191 G N -0.566 108.289 108.800 0.091 0.000 2.462 191 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 191 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 191 G C 0.590 175.322 174.900 -0.279 0.000 1.121 191 G CA 0.487 45.524 45.100 -0.104 0.000 0.758 191 G HN 0.253 nan 8.290 nan 0.000 0.559 192 D N -0.113 120.210 120.400 -0.128 0.000 2.359 192 D HA 0.141 4.781 4.640 -0.000 0.000 0.250 192 D C 1.138 177.452 176.300 0.023 0.000 1.264 192 D CA -0.282 53.654 54.000 -0.108 0.000 0.911 192 D CB 0.137 40.920 40.800 -0.028 0.000 1.056 192 D HN 0.484 nan 8.370 nan 0.000 0.499 193 H N 2.630 121.753 119.070 0.088 0.000 2.321 193 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 193 H C 1.792 177.219 175.328 0.166 0.000 1.087 193 H CA 0.916 57.044 56.048 0.135 0.000 1.319 193 H CB 0.095 29.954 29.762 0.161 0.000 1.379 193 H HN 0.586 nan 8.280 nan 0.000 0.501 194 W N 1.560 122.945 121.300 0.143 0.000 2.350 194 W HA -0.249 4.411 4.660 -0.000 0.000 0.289 194 W C 1.980 178.611 176.519 0.187 0.000 1.215 194 W CA 1.103 58.527 57.345 0.131 0.000 1.236 194 W CB -0.113 29.397 29.460 0.084 0.000 1.130 194 W HN 0.235 nan 8.180 nan 0.000 0.541 195 M N 1.111 120.751 119.600 0.066 0.000 2.108 195 M HA -0.227 4.252 4.480 -0.000 0.000 0.261 195 M C 1.748 177.881 176.300 -0.279 0.000 1.066 195 M CA 1.803 57.047 55.300 -0.093 0.000 1.107 195 M CB -0.848 31.760 32.600 0.013 0.000 1.356 195 M HN -0.191 nan 8.290 nan 0.000 0.406 196 M N 0.213 119.712 119.600 -0.168 0.000 2.722 196 M HA 0.044 4.524 4.480 -0.000 0.000 0.238 196 M C 0.309 176.138 176.300 -0.786 0.000 1.098 196 M CA 0.374 55.521 55.300 -0.255 0.000 1.062 196 M CB -2.557 30.136 32.600 0.155 0.000 1.573 196 M HN 0.432 nan 8.290 nan 0.000 0.531 197 H N -1.647 116.895 119.070 -0.879 0.000 2.499 197 H HA 0.630 5.186 4.556 -0.000 0.000 0.352 197 H C -0.514 174.150 175.328 -1.106 0.000 1.237 197 H CA -0.841 54.657 56.048 -0.917 0.000 1.343 197 H CB 1.138 30.436 29.762 -0.774 0.000 1.578 197 H HN 0.010 nan 8.280 nan 0.000 0.577 198 S N 1.372 116.607 115.700 -0.775 0.000 2.584 198 S HA 0.487 4.956 4.470 -0.000 0.000 0.282 198 S C -0.690 173.825 174.600 -0.142 0.000 1.138 198 S CA 0.014 57.873 58.200 -0.567 0.000 0.987 198 S CB -0.246 62.644 63.200 -0.516 0.000 1.137 198 S HN 1.831 nan 8.310 nan 0.000 0.457 199 G N 4.585 113.379 108.800 -0.009 0.000 3.137 199 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.686 199 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.686 199 G C -0.827 174.180 174.900 0.178 0.000 0.988 199 G CA -0.000 45.175 45.100 0.125 0.000 0.789 199 G HN 0.937 nan 8.290 nan 0.000 0.544 200 M N 0.833 120.607 119.600 0.289 0.000 2.664 200 M HA 0.739 5.219 4.480 -0.000 0.000 0.279 200 M C -0.271 176.201 176.300 0.286 0.000 1.275 200 M CA -0.893 54.538 55.300 0.219 0.000 0.829 200 M CB 2.812 35.437 32.600 0.041 0.000 1.727 200 M HN 0.740 nan 8.290 nan 0.000 0.459 201 E N 1.162 121.455 120.200 0.155 0.000 2.314 201 E HA 0.742 5.092 4.350 -0.000 0.000 0.272 201 E C -1.948 174.592 176.600 -0.101 0.000 0.884 201 E CA -0.827 55.594 56.400 0.034 0.000 0.753 201 E CB 2.728 32.496 29.700 0.114 0.000 1.213 201 E HN 0.599 nan 8.360 nan 0.000 0.432 202 V N 0.122 119.922 119.914 -0.190 0.000 3.147 202 V HA 0.564 4.684 4.120 -0.000 0.000 0.299 202 V C -1.258 174.721 176.094 -0.191 0.000 1.302 202 V CA -0.968 61.184 62.300 -0.247 0.000 1.015 202 V CB 1.532 33.046 31.823 -0.515 0.000 1.086 202 V HN 0.436 nan 8.190 nan 0.000 0.437 203 V N 4.348 124.175 119.914 -0.144 0.000 2.432 203 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 203 V C 0.512 176.561 176.094 -0.075 0.000 1.043 203 V CA -0.355 61.888 62.300 -0.094 0.000 0.925 203 V CB 0.951 32.734 31.823 -0.067 0.000 0.985 203 V HN 0.800 nan 8.190 nan 0.000 0.466 204 L N 3.478 124.672 121.223 -0.049 0.000 2.475 204 L HA 0.333 4.673 4.340 -0.000 0.000 0.253 204 L C 1.916 178.783 176.870 -0.005 0.000 1.198 204 L CA 0.044 54.878 54.840 -0.009 0.000 0.814 204 L CB 0.277 42.339 42.059 0.004 0.000 1.134 204 L HN 0.726 nan 8.230 nan 0.000 0.478 205 A N 0.996 123.820 122.820 0.007 0.000 2.019 205 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 205 A C 1.608 179.199 177.584 0.010 0.000 1.164 205 A CA 1.883 53.924 52.037 0.008 0.000 0.644 205 A CB -1.136 17.868 19.000 0.008 0.000 0.805 205 A HN 0.973 nan 8.150 nan 0.000 0.449 206 N N -1.923 116.781 118.700 0.006 0.000 2.461 206 N HA 0.310 5.050 4.740 -0.000 0.000 0.188 206 N C 1.015 176.525 175.510 -0.000 0.000 1.134 206 N CA 0.815 53.867 53.050 0.005 0.000 0.878 206 N CB 0.031 38.519 38.487 0.002 0.000 0.972 206 N HN 0.517 nan 8.380 nan 0.000 0.456 207 G N -0.194 108.603 108.800 -0.005 0.000 2.184 207 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.264 207 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.264 207 G C -0.316 174.570 174.900 -0.023 0.000 0.975 207 G CA 0.177 45.269 45.100 -0.013 0.000 0.642 207 G HN 0.537 nan 8.290 nan 0.000 0.536 208 E N 0.009 120.196 120.200 -0.023 0.000 2.354 208 E HA 0.522 4.871 4.350 -0.000 0.000 0.269 208 E C 0.779 177.351 176.600 -0.046 0.000 1.036 208 E CA -0.483 55.899 56.400 -0.030 0.000 0.876 208 E CB 0.981 30.667 29.700 -0.022 0.000 1.009 208 E HN 0.319 nan 8.360 nan 0.000 0.416 209 L N 2.811 124.000 121.223 -0.057 0.000 2.418 209 L HA 0.386 4.726 4.340 -0.000 0.000 0.265 209 L C -0.484 176.335 176.870 -0.086 0.000 1.143 209 L CA -0.555 54.238 54.840 -0.080 0.000 0.809 209 L CB 0.526 42.530 42.059 -0.091 0.000 1.124 209 L HN 0.381 nan 8.230 nan 0.000 0.456 210 L N 2.464 123.620 121.223 -0.112 0.000 2.580 210 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 210 L C -0.775 176.018 176.870 -0.130 0.000 0.955 210 L CA -0.218 54.559 54.840 -0.105 0.000 0.886 210 L CB 1.631 43.635 42.059 -0.091 0.000 1.263 210 L HN 0.433 nan 8.230 nan 0.000 0.406 211 R N 1.326 121.743 120.500 -0.138 0.000 2.532 211 R HA 0.864 5.204 4.340 -0.000 0.000 0.272 211 R C -0.126 176.162 176.300 -0.020 0.000 1.032 211 R CA 0.038 56.053 56.100 -0.142 0.000 1.089 211 R CB 1.530 31.597 30.300 -0.388 0.000 1.098 211 R HN 0.755 nan 8.270 nan 0.000 0.526 212 T N -2.030 112.569 114.554 0.076 0.000 2.926 212 T HA 0.733 5.083 4.350 -0.000 0.000 0.289 212 T C 0.702 175.491 174.700 0.149 0.000 1.054 212 T CA -0.210 61.958 62.100 0.113 0.000 1.015 212 T CB 1.690 70.634 68.868 0.128 0.000 1.167 212 T HN 0.750 nan 8.240 nan 0.000 0.526 213 G N 1.302 110.200 108.800 0.164 0.000 2.582 213 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.288 213 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.288 213 G C 0.918 175.903 174.900 0.141 0.000 1.247 213 G CA 0.327 45.522 45.100 0.159 0.000 0.972 213 G HN 0.809 nan 8.290 nan 0.000 0.557 214 M N 2.084 121.757 119.600 0.123 0.000 2.629 214 M HA -0.008 4.471 4.480 -0.000 0.000 0.257 214 M C 2.724 179.087 176.300 0.104 0.000 1.071 214 M CA 1.751 57.129 55.300 0.130 0.000 1.077 214 M CB -1.820 30.867 32.600 0.146 0.000 1.423 214 M HN 0.827 nan 8.290 nan 0.000 0.508 215 G N 0.399 109.280 108.800 0.134 0.000 2.475 215 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 215 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 215 G C 1.621 176.500 174.900 -0.035 0.000 1.125 215 G CA 1.134 46.317 45.100 0.139 0.000 0.755 215 G HN 0.553 nan 8.290 nan 0.000 0.565 216 A N -0.424 122.402 122.820 0.011 0.000 2.015 216 A HA 0.249 4.568 4.320 -0.000 0.000 0.219 216 A C 1.272 178.851 177.584 -0.008 0.000 1.163 216 A CA 0.399 52.433 52.037 -0.006 0.000 0.646 216 A CB -0.182 18.844 19.000 0.044 0.000 0.806 216 A HN 0.408 nan 8.150 nan 0.000 0.448 217 L N 1.449 122.682 121.223 0.017 0.000 2.315 217 L HA 0.377 4.717 4.340 -0.000 0.000 0.283 217 L C -2.622 174.242 176.870 -0.010 0.000 1.089 217 L CA -2.309 52.536 54.840 0.009 0.000 0.833 217 L CB 0.555 42.633 42.059 0.033 0.000 1.170 217 L HN -0.061 nan 8.230 nan 0.000 0.442 218 P HA 0.051 nan 4.420 nan 0.000 0.271 218 P C -1.028 176.264 177.300 -0.015 0.000 1.216 218 P CA -0.263 62.814 63.100 -0.038 0.000 0.771 218 P CB 0.453 32.129 31.700 -0.041 0.000 0.864 219 D N 4.175 124.568 120.400 -0.011 0.000 2.383 219 D HA 0.088 4.728 4.640 -0.000 0.000 0.252 219 D C -1.907 174.396 176.300 0.005 0.000 1.166 219 D CA -1.285 52.724 54.000 0.016 0.000 0.879 219 D CB 0.244 41.067 40.800 0.038 0.000 1.164 219 D HN 0.147 nan 8.370 nan 0.000 0.462 220 P HA 0.017 nan 4.420 nan 0.000 0.267 220 P C -0.741 176.562 177.300 0.005 0.000 1.201 220 P CA 0.048 63.151 63.100 0.005 0.000 0.775 220 P CB 0.223 31.928 31.700 0.009 0.000 0.854 221 K N 2.998 123.398 120.400 0.000 0.000 2.316 221 K HA 0.283 4.602 4.320 -0.000 0.000 0.289 221 K C 0.038 176.641 176.600 0.004 0.000 1.070 221 K CA -0.590 55.697 56.287 0.000 0.000 0.928 221 K CB 0.604 33.101 32.500 -0.005 0.000 1.039 221 K HN 0.396 nan 8.250 nan 0.000 0.480 222 R N 2.165 122.670 120.500 0.008 0.000 2.643 222 R HA 0.330 4.669 4.340 -0.000 0.000 0.272 222 R C -2.287 174.018 176.300 0.008 0.000 0.995 222 R CA -2.145 53.960 56.100 0.010 0.000 1.032 222 R CB 0.334 30.643 30.300 0.015 0.000 1.126 222 R HN 0.203 nan 8.270 nan 0.000 0.505 223 P HA -0.206 nan 4.420 nan 0.000 0.218 223 P C 0.609 177.913 177.300 0.007 0.000 1.149 223 P CA 1.187 64.290 63.100 0.005 0.000 0.817 223 P CB 0.119 31.823 31.700 0.005 0.000 0.785 224 E N -0.410 119.796 120.200 0.010 0.000 2.150 224 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 224 E C 1.456 178.064 176.600 0.012 0.000 0.985 224 E CA 1.878 58.285 56.400 0.012 0.000 0.814 224 E CB -1.765 27.944 29.700 0.016 0.000 0.752 224 E HN 0.343 nan 8.360 nan 0.000 0.466 225 T N -1.531 113.030 114.554 0.012 0.000 3.107 225 T HA 0.167 4.516 4.350 -0.000 0.000 0.249 225 T C 0.988 175.689 174.700 0.002 0.000 1.096 225 T CA -0.406 61.700 62.100 0.010 0.000 1.012 225 T CB -0.101 68.774 68.868 0.012 0.000 0.977 225 T HN -0.129 nan 8.240 nan 0.000 0.527 226 M N 1.322 120.923 119.600 0.001 0.000 2.240 226 M HA 0.341 4.821 4.480 -0.000 0.000 0.317 226 M C 2.038 178.335 176.300 -0.005 0.000 1.087 226 M CA 1.102 56.401 55.300 -0.003 0.000 1.176 226 M CB -0.809 31.790 32.600 -0.002 0.000 1.439 226 M HN 0.506 nan 8.290 nan 0.000 0.452 227 G N 0.985 109.780 108.800 -0.008 0.000 2.382 227 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.259 227 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.259 227 G C 0.125 175.018 174.900 -0.012 0.000 1.009 227 G CA 0.278 45.373 45.100 -0.010 0.000 0.625 227 G HN 0.542 nan 8.290 nan 0.000 0.541 228 L N 1.334 122.550 121.223 -0.011 0.000 2.573 228 L HA 0.238 4.578 4.340 -0.000 0.000 0.290 228 L C 1.269 178.125 176.870 -0.022 0.000 1.247 228 L CA 0.909 55.742 54.840 -0.013 0.000 0.876 228 L CB 0.213 42.266 42.059 -0.010 0.000 1.123 228 L HN 0.273 nan 8.230 nan 0.000 0.505 229 K N 4.584 124.970 120.400 -0.023 0.000 2.219 229 K HA 0.095 4.415 4.320 -0.000 0.000 0.258 229 K C -1.510 175.064 176.600 -0.044 0.000 1.008 229 K CA -1.232 55.037 56.287 -0.030 0.000 0.928 229 K CB 0.178 32.662 32.500 -0.027 0.000 0.983 229 K HN 0.316 nan 8.250 nan 0.000 0.484 230 P HA -0.269 nan 4.420 nan 0.000 0.214 230 P C 0.994 178.235 177.300 -0.098 0.000 1.163 230 P CA 1.418 64.467 63.100 -0.084 0.000 0.889 230 P CB 0.105 31.754 31.700 -0.085 0.000 0.790 231 E N -0.127 120.029 120.200 -0.074 0.000 2.219 231 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 231 E C 0.881 177.460 176.600 -0.035 0.000 0.998 231 E CA 1.597 57.960 56.400 -0.061 0.000 0.818 231 E CB -1.314 28.361 29.700 -0.041 0.000 0.741 231 E HN 0.311 nan 8.360 nan 0.000 0.477 232 D N 0.893 121.276 120.400 -0.027 0.000 2.354 232 D HA 0.026 4.666 4.640 -0.000 0.000 0.209 232 D C 0.289 176.588 176.300 -0.002 0.000 1.015 232 D CA 0.136 54.136 54.000 -0.000 0.000 0.867 232 D CB 0.130 40.930 40.800 0.001 0.000 0.933 232 D HN 0.350 nan 8.370 nan 0.000 0.520 233 Q N 1.890 121.662 119.800 -0.045 0.000 2.373 233 Q HA 0.218 4.558 4.340 -0.000 0.000 0.255 233 Q C -2.132 173.839 176.000 -0.048 0.000 0.980 233 Q CA -1.319 54.453 55.803 -0.052 0.000 0.882 233 Q CB 0.286 28.968 28.738 -0.093 0.000 1.249 233 Q HN 0.063 nan 8.270 nan 0.000 0.438 234 P HA 0.056 nan 4.420 nan 0.000 0.274 234 P C -1.222 176.122 177.300 0.073 0.000 1.231 234 P CA -0.292 62.882 63.100 0.122 0.000 0.790 234 P CB 0.499 32.276 31.700 0.129 0.000 0.951 235 W N 0.713 122.049 121.300 0.060 0.000 2.215 235 W HA 0.324 4.983 4.660 -0.000 0.000 0.342 235 W C 1.099 177.624 176.519 0.009 0.000 1.237 235 W CA 0.022 57.379 57.345 0.020 0.000 1.283 235 W CB 0.041 29.518 29.460 0.028 0.000 1.131 235 W HN 0.327 nan 8.180 nan 0.000 0.606 236 S N 1.151 116.967 115.700 0.192 0.000 2.600 236 S HA 0.123 4.593 4.470 -0.000 0.000 0.265 236 S C 1.177 175.855 174.600 0.132 0.000 1.325 236 S CA -0.333 57.940 58.200 0.121 0.000 1.002 236 S CB 0.992 64.234 63.200 0.071 0.000 0.921 236 S HN 0.634 nan 8.310 nan 0.000 0.554 237 K N 0.531 120.996 120.400 0.108 0.000 2.074 237 K HA -0.142 4.177 4.320 -0.000 0.000 0.209 237 K C 1.405 178.061 176.600 0.094 0.000 1.048 237 K CA 1.500 57.854 56.287 0.112 0.000 0.926 237 K CB -0.563 31.991 32.500 0.090 0.000 0.713 237 K HN 0.570 nan 8.250 nan 0.000 0.444 238 I N 1.500 122.114 120.570 0.073 0.000 3.059 238 I HA 0.013 4.183 4.170 -0.000 0.000 0.270 238 I C 2.589 178.726 176.117 0.033 0.000 1.238 238 I CA 0.659 62.002 61.300 0.071 0.000 1.478 238 I CB -1.259 36.796 38.000 0.091 0.000 1.097 238 I HN 0.248 nan 8.210 nan 0.000 0.455 239 A N 1.371 124.172 122.820 -0.032 0.000 1.909 239 A HA -0.278 4.042 4.320 -0.000 0.000 0.221 239 A C 1.989 179.344 177.584 -0.382 0.000 1.223 239 A CA 2.361 54.292 52.037 -0.178 0.000 0.658 239 A CB -1.328 17.590 19.000 -0.137 0.000 0.831 239 A HN 0.584 nan 8.150 nan 0.000 0.462 240 H N -1.203 117.738 119.070 -0.215 0.000 2.539 240 H HA 0.350 4.905 4.556 -0.000 0.000 0.267 240 H C 1.484 176.717 175.328 -0.158 0.000 0.982 240 H CA 0.489 56.259 56.048 -0.464 0.000 1.146 240 H CB 0.050 29.149 29.762 -1.105 0.000 1.382 240 H HN 0.408 nan 8.280 nan 0.000 0.577 241 L N -0.736 120.520 121.223 0.056 0.000 2.463 241 L HA 0.139 4.479 4.340 -0.000 0.000 0.219 241 L C -0.333 176.705 176.870 0.281 0.000 1.088 241 L CA 0.060 54.999 54.840 0.164 0.000 0.849 241 L CB 0.579 42.696 42.059 0.097 0.000 1.012 241 L HN 0.163 nan 8.230 nan 0.000 0.468 242 F N 0.858 120.850 119.950 0.069 0.000 2.689 242 F HA 0.402 4.929 4.527 -0.000 0.000 0.332 242 F C -2.343 173.437 175.800 -0.033 0.000 1.209 242 F CA -2.267 55.744 58.000 0.019 0.000 1.028 242 F CB 1.515 40.522 39.000 0.013 0.000 1.291 242 F HN -0.262 nan 8.300 nan 0.000 0.500 243 P HA -0.130 nan 4.420 nan 0.000 0.217 243 P C 1.194 178.139 177.300 -0.592 0.000 1.151 243 P CA 1.448 64.197 63.100 -0.586 0.000 0.828 243 P CB 0.015 31.263 31.700 -0.753 0.000 0.788 244 Y N 0.294 119.952 120.300 -1.069 0.000 2.274 244 Y HA 0.054 4.604 4.550 -0.000 0.000 0.290 244 Y C 2.253 178.002 175.900 -0.250 0.000 1.145 244 Y CA 0.794 58.432 58.100 -0.771 0.000 1.203 244 Y CB -1.553 36.413 38.460 -0.825 0.000 0.984 244 Y HN 0.088 nan 8.280 nan 0.000 0.533 245 G N 0.454 109.251 108.800 -0.004 0.000 2.583 245 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.292 245 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.292 245 G C -0.515 174.624 174.900 0.398 0.000 1.203 245 G CA 0.445 45.706 45.100 0.269 0.000 0.987 245 G HN 0.434 nan 8.290 nan 0.000 0.554 246 F N 0.455 120.501 119.950 0.160 0.000 2.631 246 F HA 0.606 5.132 4.527 -0.000 0.000 0.308 246 F C 0.746 176.612 175.800 0.110 0.000 1.097 246 F CA 1.454 59.533 58.000 0.131 0.000 0.952 246 F CB 1.361 40.427 39.000 0.111 0.000 1.307 246 F HN 2.418 nan 8.300 nan 0.000 0.450 247 G N 3.629 112.049 108.800 -0.633 0.000 2.593 247 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.237 247 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.237 247 G C -2.729 172.111 174.900 -0.100 0.000 1.312 247 G CA -0.618 44.256 45.100 -0.377 0.000 0.896 247 G HN 0.679 nan 8.290 nan 0.000 0.574 248 P HA 0.351 nan 4.420 nan 0.000 0.266 248 P C -0.737 176.662 177.300 0.166 0.000 1.195 248 P CA 0.073 63.211 63.100 0.063 0.000 0.768 248 P CB 0.280 32.013 31.700 0.055 0.000 0.838 249 Y N 4.153 124.482 120.300 0.049 0.000 2.751 249 Y HA 0.245 4.795 4.550 -0.000 0.000 0.333 249 Y C 1.278 177.252 175.900 0.125 0.000 1.122 249 Y CA -0.623 57.540 58.100 0.106 0.000 1.367 249 Y CB -0.464 38.079 38.460 0.139 0.000 1.242 249 Y HN 0.332 nan 8.280 nan 0.000 0.505 250 I N -0.614 119.939 120.570 -0.027 0.000 2.830 250 I HA -0.099 4.071 4.170 -0.000 0.000 0.263 250 I C 1.012 177.076 176.117 -0.090 0.000 1.230 250 I CA 0.962 62.225 61.300 -0.060 0.000 1.480 250 I CB 0.013 38.041 38.000 0.047 0.000 1.095 250 I HN 0.278 nan 8.210 nan 0.000 0.455 251 D N 2.790 123.106 120.400 -0.139 0.000 2.170 251 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 251 D C 2.329 178.740 176.300 0.185 0.000 1.004 251 D CA 1.967 56.041 54.000 0.122 0.000 0.860 251 D CB -0.744 40.068 40.800 0.020 0.000 0.931 251 D HN 0.567 nan 8.370 nan 0.000 0.448 252 G N 0.422 109.225 108.800 0.004 0.000 2.450 252 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 252 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 252 G C 1.560 176.296 174.900 -0.273 0.000 1.130 252 G CA 0.315 45.368 45.100 -0.078 0.000 0.760 252 G HN 0.301 nan 8.290 nan 0.000 0.557 253 L N -0.573 120.409 121.223 -0.402 0.000 2.353 253 L HA -0.001 4.339 4.340 -0.000 0.000 0.220 253 L C 1.989 178.390 176.870 -0.782 0.000 1.133 253 L CA 0.524 54.972 54.840 -0.654 0.000 0.798 253 L CB -0.315 41.179 42.059 -0.941 0.000 0.922 253 L HN 0.194 nan 8.230 nan 0.000 0.445 254 F N -1.228 118.613 119.950 -0.182 0.000 2.776 254 F HA 0.095 4.621 4.527 -0.000 0.000 0.300 254 F C 1.325 176.918 175.800 -0.344 0.000 1.116 254 F CA -0.192 57.684 58.000 -0.207 0.000 1.375 254 F CB -0.245 38.689 39.000 -0.112 0.000 1.109 254 F HN -0.172 nan 8.300 nan 0.000 0.585 255 S N 0.781 116.215 115.700 -0.443 0.000 2.525 255 S HA 0.201 4.670 4.470 -0.000 0.000 0.278 255 S C 0.346 174.698 174.600 -0.414 0.000 1.234 255 S CA -0.638 57.186 58.200 -0.627 0.000 1.058 255 S CB 0.856 63.401 63.200 -1.092 0.000 0.983 255 S HN 0.285 nan 8.310 nan 0.000 0.495 256 Q N 0.454 120.048 119.800 -0.344 0.000 2.434 256 Q HA -0.212 4.128 4.340 -0.000 0.000 0.299 256 Q C -0.239 175.606 176.000 -0.259 0.000 1.286 256 Q CA 0.802 56.434 55.803 -0.285 0.000 0.872 256 Q CB -1.886 26.690 28.738 -0.270 0.000 1.193 256 Q HN 0.820 nan 8.270 nan 0.000 0.466 257 S N -1.449 114.095 115.700 -0.260 0.000 2.570 257 S HA 0.516 4.985 4.470 -0.000 0.000 0.270 257 S C 0.178 174.635 174.600 -0.238 0.000 1.149 257 S CA -0.557 57.494 58.200 -0.249 0.000 0.837 257 S CB 1.075 64.122 63.200 -0.256 0.000 1.124 257 S HN 0.257 nan 8.310 nan 0.000 0.465 258 N N 0.768 119.324 118.700 -0.240 0.000 2.449 258 N HA 0.039 4.778 4.740 -0.000 0.000 0.191 258 N C 1.074 176.500 175.510 -0.140 0.000 1.161 258 N CA 0.025 52.943 53.050 -0.220 0.000 0.863 258 N CB -0.503 37.836 38.487 -0.246 0.000 0.980 258 N HN 0.516 nan 8.380 nan 0.000 0.458 259 M N -0.284 119.246 119.600 -0.117 0.000 2.267 259 M HA 0.124 4.604 4.480 -0.000 0.000 0.263 259 M C 0.969 177.346 176.300 0.130 0.000 1.063 259 M CA 0.766 56.037 55.300 -0.048 0.000 1.090 259 M CB -1.133 31.332 32.600 -0.225 0.000 1.392 259 M HN 0.381 nan 8.290 nan 0.000 0.422 260 G N -0.639 108.248 108.800 0.144 0.000 2.451 260 G HA2 0.495 4.455 3.960 -0.000 0.000 0.292 260 G HA3 0.495 4.455 3.960 -0.000 0.000 0.292 260 G C -1.528 173.348 174.900 -0.040 0.000 1.427 260 G CA -0.927 44.214 45.100 0.069 0.000 0.792 260 G HN 0.113 nan 8.290 nan 0.000 0.498 261 I N 0.819 121.332 120.570 -0.095 0.000 2.331 261 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 261 I C 0.081 176.110 176.117 -0.147 0.000 0.998 261 I CA -0.902 60.327 61.300 -0.118 0.000 1.267 261 I CB 1.710 39.653 38.000 -0.096 0.000 1.386 261 I HN 0.114 nan 8.210 nan 0.000 0.476 262 V N 5.160 124.991 119.914 -0.138 0.000 2.509 262 V HA 0.170 4.289 4.120 -0.000 0.000 0.284 262 V C 1.075 177.114 176.094 -0.091 0.000 1.047 262 V CA -0.135 62.084 62.300 -0.134 0.000 0.952 262 V CB 1.345 33.103 31.823 -0.108 0.000 0.988 262 V HN 0.947 nan 8.190 nan 0.000 0.469 263 T N 0.690 115.204 114.554 -0.067 0.000 2.990 263 T HA 0.352 4.701 4.350 -0.000 0.000 0.249 263 T C 0.396 175.096 174.700 -0.001 0.000 1.039 263 T CA 0.037 62.116 62.100 -0.034 0.000 1.036 263 T CB 0.297 69.149 68.868 -0.027 0.000 0.994 263 T HN 0.590 nan 8.240 nan 0.000 0.489 264 K N -0.088 120.330 120.400 0.029 0.000 2.578 264 K HA 0.744 5.064 4.320 -0.000 0.000 0.287 264 K C -1.935 174.675 176.600 0.017 0.000 1.010 264 K CA -0.935 55.379 56.287 0.045 0.000 0.889 264 K CB 2.549 35.166 32.500 0.194 0.000 1.514 264 K HN 0.169 nan 8.250 nan 0.000 0.424 265 I N -0.157 120.362 120.570 -0.085 0.000 2.771 265 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 265 I C -1.269 174.669 176.117 -0.298 0.000 1.527 265 I CA -0.453 60.764 61.300 -0.138 0.000 1.024 265 I CB 2.072 40.007 38.000 -0.108 0.000 1.388 265 I HN 0.758 nan 8.210 nan 0.000 0.447 266 G N 7.234 115.825 108.800 -0.349 0.000 2.372 266 G HA2 0.625 4.585 3.960 -0.000 0.000 0.283 266 G HA3 0.625 4.585 3.960 -0.000 0.000 0.283 266 G C -0.933 173.746 174.900 -0.368 0.000 1.177 266 G CA -0.307 44.496 45.100 -0.495 0.000 0.842 266 G HN 0.358 nan 8.290 nan 0.000 0.503 267 I N 1.811 122.214 120.570 -0.279 0.000 2.569 267 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 267 I C -0.673 175.459 176.117 0.026 0.000 1.088 267 I CA -1.034 60.140 61.300 -0.211 0.000 1.047 267 I CB 1.937 39.869 38.000 -0.114 0.000 1.237 267 I HN 0.485 nan 8.210 nan 0.000 0.421 268 W N 6.140 127.485 121.300 0.074 0.000 2.049 268 W HA 0.489 5.148 4.660 -0.000 0.000 0.356 268 W C -0.257 176.338 176.519 0.126 0.000 1.323 268 W CA -0.490 56.949 57.345 0.157 0.000 1.336 268 W CB 0.186 29.774 29.460 0.214 0.000 1.176 268 W HN 0.190 nan 8.180 nan 0.000 0.623 269 L N 2.340 123.745 121.223 0.304 0.000 2.470 269 L HA 0.315 4.655 4.340 -0.000 0.000 0.268 269 L C -0.088 176.628 176.870 -0.256 0.000 0.964 269 L CA -0.920 53.919 54.840 -0.001 0.000 0.839 269 L CB 2.017 44.098 42.059 0.036 0.000 1.276 269 L HN 0.289 nan 8.230 nan 0.000 0.403 270 M N 5.616 124.799 119.600 -0.695 0.000 2.219 270 M HA 0.317 4.796 4.480 -0.000 0.000 0.353 270 M C -2.279 173.824 176.300 -0.327 0.000 1.304 270 M CA -0.964 53.871 55.300 -0.775 0.000 1.115 270 M CB 0.953 32.959 32.600 -0.991 0.000 1.664 270 M HN 0.168 nan 8.290 nan 0.000 0.459 271 P HA 0.018 nan 4.420 nan 0.000 0.271 271 P C -1.037 176.039 177.300 -0.373 0.000 1.218 271 P CA -0.135 62.848 63.100 -0.195 0.000 0.780 271 P CB 0.296 31.918 31.700 -0.131 0.000 0.901 272 N N 4.346 122.819 118.700 -0.379 0.000 2.411 272 N HA -0.041 4.699 4.740 -0.000 0.000 0.265 272 N C -1.113 174.096 175.510 -0.501 0.000 1.266 272 N CA -0.960 51.667 53.050 -0.705 0.000 0.889 272 N CB 0.174 38.571 38.487 -0.149 0.000 1.069 272 N HN 0.250 nan 8.380 nan 0.000 0.476 273 P HA -0.096 nan 4.420 nan 0.000 0.226 273 P C 0.363 177.579 177.300 -0.140 0.000 1.153 273 P CA 1.231 64.140 63.100 -0.318 0.000 0.777 273 P CB 0.002 31.538 31.700 -0.274 0.000 0.794 274 R N -1.608 118.824 120.500 -0.113 0.000 3.776 274 R HA 0.033 4.372 4.340 -0.000 0.000 0.312 274 R C 0.512 176.847 176.300 0.058 0.000 1.181 274 R CA 1.112 57.216 56.100 0.005 0.000 0.836 274 R CB -2.883 nan 30.300 nan 0.000 1.324 274 R HN 0.794 nan 8.270 nan 0.000 0.501 275 G N -2.251 106.608 108.800 0.098 0.000 2.473 275 G HA2 0.642 4.601 3.960 -0.000 0.000 0.298 275 G HA3 0.642 4.601 3.960 -0.000 0.000 0.298 275 G C -1.375 173.677 174.900 0.253 0.000 1.575 275 G CA 0.235 45.424 45.100 0.149 0.000 0.846 275 G HN 1.821 nan 8.290 nan 0.000 0.585 276 Y N 0.541 120.880 120.300 0.065 0.000 2.583 276 Y HA 0.685 5.235 4.550 -0.000 0.000 0.330 276 Y C -1.656 174.253 175.900 0.014 0.000 1.185 276 Y CA -0.892 57.219 58.100 0.018 0.000 1.107 276 Y CB 2.432 40.976 38.460 0.140 0.000 1.344 276 Y HN 0.939 nan 8.280 nan 0.000 0.463 277 Q N 3.246 122.643 119.800 -0.671 0.000 2.443 277 Q HA 0.496 4.835 4.340 -0.000 0.000 0.241 277 Q C -1.619 174.032 176.000 -0.580 0.000 0.880 277 Q CA -0.233 55.237 55.803 -0.555 0.000 0.974 277 Q CB 1.454 30.097 28.738 -0.158 0.000 1.482 277 Q HN 0.806 nan 8.270 nan 0.000 0.448 278 S N 2.410 117.733 115.700 -0.628 0.000 2.655 278 S HA 0.894 5.364 4.470 -0.000 0.000 0.265 278 S C -0.359 174.098 174.600 -0.240 0.000 1.240 278 S CA 0.083 58.068 58.200 -0.358 0.000 0.986 278 S CB 0.722 63.775 63.200 -0.245 0.000 0.985 278 S HN 0.941 nan 8.310 nan 0.000 0.562 279 Y N -1.878 118.245 120.300 -0.296 0.000 2.750 279 Y HA 0.811 5.361 4.550 -0.000 0.000 0.335 279 Y C -1.682 174.074 175.900 -0.240 0.000 1.252 279 Y CA -1.620 56.206 58.100 -0.457 0.000 1.064 279 Y CB 0.680 38.772 38.460 -0.613 0.000 1.321 279 Y HN 0.795 nan 8.280 nan 0.000 0.451 280 L N 1.778 122.970 121.223 -0.051 0.000 2.469 280 L HA 0.835 5.174 4.340 -0.000 0.000 0.256 280 L C -2.002 174.786 176.870 -0.136 0.000 1.006 280 L CA -1.361 53.341 54.840 -0.230 0.000 0.832 280 L CB 2.425 44.268 42.059 -0.360 0.000 1.421 280 L HN 0.773 nan 8.230 nan 0.000 0.410 281 I N 2.310 122.721 120.570 -0.265 0.000 2.571 281 I HA 0.285 4.455 4.170 -0.000 0.000 0.286 281 I C -0.662 175.234 176.117 -0.369 0.000 1.134 281 I CA -0.505 60.544 61.300 -0.419 0.000 1.052 281 I CB 2.353 40.079 38.000 -0.456 0.000 1.237 281 I HN 0.735 nan 8.210 nan 0.000 0.435 282 T N 4.965 119.242 114.554 -0.462 0.000 2.780 282 T HA 0.634 4.984 4.350 -0.000 0.000 0.294 282 T C -0.326 174.269 174.700 -0.173 0.000 0.949 282 T CA -0.622 61.315 62.100 -0.271 0.000 1.074 282 T CB 0.976 69.696 68.868 -0.247 0.000 0.910 282 T HN 0.325 nan 8.240 nan 0.000 0.501 283 L N 5.921 127.121 121.223 -0.039 0.000 2.275 283 L HA 0.331 4.671 4.340 -0.000 0.000 0.288 283 L C -1.150 175.735 176.870 0.025 0.000 1.046 283 L CA -2.524 52.324 54.840 0.013 0.000 0.805 283 L CB 1.730 43.849 42.059 0.099 0.000 1.193 283 L HN 0.454 nan 8.230 nan 0.000 0.426 284 P HA -0.139 nan 4.420 nan 0.000 0.213 284 P C 0.305 177.625 177.300 0.034 0.000 1.170 284 P CA 1.112 64.218 63.100 0.010 0.000 0.893 284 P CB 0.407 32.109 31.700 0.003 0.000 0.784 285 K N -0.453 119.980 120.400 0.056 0.000 2.090 285 K HA 0.044 4.363 4.320 -0.000 0.000 0.250 285 K C 1.079 177.784 176.600 0.176 0.000 1.004 285 K CA -0.257 56.078 56.287 0.080 0.000 0.919 285 K CB 0.629 33.165 32.500 0.060 0.000 1.045 285 K HN -0.280 nan 8.250 nan 0.000 0.471 286 D N 1.656 122.164 120.400 0.180 0.000 2.084 286 D HA -0.062 4.577 4.640 -0.000 0.000 0.196 286 D C 1.607 178.132 176.300 0.376 0.000 0.985 286 D CA 1.771 55.971 54.000 0.333 0.000 0.826 286 D CB -0.437 40.515 40.800 0.252 0.000 0.978 286 D HN 0.765 nan 8.370 nan 0.000 0.456 287 G N -0.167 108.749 108.800 0.194 0.000 2.498 287 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 287 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 287 G C 1.202 176.102 174.900 -0.001 0.000 1.119 287 G CA 0.658 45.815 45.100 0.095 0.000 0.766 287 G HN 0.215 nan 8.290 nan 0.000 0.552 288 D N 0.010 120.420 120.400 0.017 0.000 2.351 288 D HA -0.085 4.554 4.640 -0.000 0.000 0.216 288 D C 2.268 178.441 176.300 -0.211 0.000 0.968 288 D CA 0.142 54.106 54.000 -0.061 0.000 0.899 288 D CB -0.041 40.756 40.800 -0.006 0.000 0.907 288 D HN 0.285 nan 8.370 nan 0.000 0.514 289 L N 1.435 122.424 121.223 -0.390 0.000 2.013 289 L HA -0.218 4.121 4.340 -0.000 0.000 0.212 289 L C 2.092 178.661 176.870 -0.502 0.000 1.073 289 L CA 1.901 56.274 54.840 -0.778 0.000 0.753 289 L CB -0.516 40.816 42.059 -1.211 0.000 0.890 289 L HN -0.124 nan 8.230 nan 0.000 0.432 290 K N -0.871 119.331 120.400 -0.330 0.000 1.987 290 K HA -0.262 4.058 4.320 -0.000 0.000 0.216 290 K C 2.077 178.541 176.600 -0.227 0.000 1.051 290 K CA 2.307 58.451 56.287 -0.239 0.000 0.942 290 K CB -0.329 32.088 32.500 -0.137 0.000 0.722 290 K HN 0.544 nan 8.250 nan 0.000 0.444 291 Q N -0.274 119.409 119.800 -0.196 0.000 2.170 291 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 291 Q C 2.130 177.960 176.000 -0.284 0.000 0.976 291 Q CA 1.202 56.883 55.803 -0.204 0.000 0.858 291 Q CB -0.152 28.483 28.738 -0.172 0.000 0.907 291 Q HN 0.471 nan 8.270 nan 0.000 0.433 292 A N 0.624 123.257 122.820 -0.310 0.000 1.865 292 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 292 A C 2.364 179.706 177.584 -0.403 0.000 1.191 292 A CA 1.659 53.461 52.037 -0.392 0.000 0.623 292 A CB -0.874 17.957 19.000 -0.280 0.000 0.826 292 A HN 0.218 nan 8.150 nan 0.000 0.444 293 V N 0.763 120.468 119.914 -0.347 0.000 2.287 293 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 293 V C 2.204 178.154 176.094 -0.241 0.000 1.053 293 V CA 2.334 64.457 62.300 -0.296 0.000 1.027 293 V CB -0.889 30.734 31.823 -0.334 0.000 0.646 293 V HN 0.520 nan 8.190 nan 0.000 0.447 294 D N 0.006 120.265 120.400 -0.234 0.000 2.117 294 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 294 D C 2.090 178.258 176.300 -0.220 0.000 0.987 294 D CA 1.397 55.283 54.000 -0.190 0.000 0.829 294 D CB -0.166 40.537 40.800 -0.163 0.000 0.961 294 D HN 0.409 nan 8.370 nan 0.000 0.460 295 I N 0.790 121.169 120.570 -0.318 0.000 2.361 295 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 295 I C 2.299 178.200 176.117 -0.361 0.000 1.133 295 I CA 0.663 61.729 61.300 -0.391 0.000 1.413 295 I CB -0.090 37.503 38.000 -0.680 0.000 1.073 295 I HN -0.027 nan 8.210 nan 0.000 0.424 296 I N 0.128 120.494 120.570 -0.340 0.000 2.406 296 I HA -0.226 3.944 4.170 -0.000 0.000 0.249 296 I C 2.715 178.786 176.117 -0.077 0.000 1.122 296 I CA 0.703 61.891 61.300 -0.186 0.000 1.431 296 I CB -0.480 37.453 38.000 -0.111 0.000 1.087 296 I HN 0.186 nan 8.210 nan 0.000 0.424 297 R N 1.788 122.236 120.500 -0.088 0.000 2.162 297 R HA -0.223 4.117 4.340 -0.000 0.000 0.245 297 R C -0.503 175.780 176.300 -0.029 0.000 1.129 297 R CA 2.688 58.760 56.100 -0.047 0.000 0.940 297 R CB -1.511 28.751 30.300 -0.062 0.000 0.875 297 R HN 0.241 nan 8.270 nan 0.000 0.437 298 P HA -0.105 nan 4.420 nan 0.000 0.220 298 P C 1.434 178.726 177.300 -0.013 0.000 1.152 298 P CA 1.228 64.308 63.100 -0.033 0.000 0.812 298 P CB -0.121 31.547 31.700 -0.053 0.000 0.792 299 L N -1.330 119.885 121.223 -0.013 0.000 2.201 299 L HA -0.073 4.266 4.340 -0.000 0.000 0.212 299 L C 2.971 179.883 176.870 0.070 0.000 1.105 299 L CA 0.970 55.828 54.840 0.029 0.000 0.775 299 L CB -0.546 41.538 42.059 0.043 0.000 0.913 299 L HN -0.102 nan 8.230 nan 0.000 0.440 300 R N 0.412 120.952 120.500 0.066 0.000 2.055 300 R HA -0.020 4.319 4.340 -0.000 0.000 0.228 300 R C 2.266 178.600 176.300 0.056 0.000 1.143 300 R CA 1.218 57.367 56.100 0.082 0.000 0.945 300 R CB -0.720 29.628 30.300 0.081 0.000 0.841 300 R HN 0.307 nan 8.270 nan 0.000 0.429 301 L N -0.430 120.813 121.223 0.034 0.000 2.042 301 L HA -0.121 4.218 4.340 -0.000 0.000 0.210 301 L C 2.278 179.162 176.870 0.023 0.000 1.076 301 L CA 1.569 56.424 54.840 0.024 0.000 0.749 301 L CB -0.764 41.302 42.059 0.012 0.000 0.893 301 L HN 0.340 nan 8.230 nan 0.000 0.432 302 G N -1.665 107.148 108.800 0.023 0.000 2.679 302 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.212 302 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.212 302 G C 1.146 176.067 174.900 0.034 0.000 1.137 302 G CA 0.136 45.249 45.100 0.021 0.000 0.787 302 G HN 0.426 nan 8.290 nan 0.000 0.534 303 M N -1.735 117.894 119.600 0.049 0.000 2.939 303 M HA -0.269 4.211 4.480 -0.000 0.000 0.202 303 M C 1.785 178.138 176.300 0.089 0.000 0.592 303 M CA 0.378 55.717 55.300 0.064 0.000 0.749 303 M CB -1.599 31.029 32.600 0.046 0.000 2.692 303 M HN 0.348 nan 8.290 nan 0.000 0.382 304 A N 0.414 123.289 122.820 0.092 0.000 1.873 304 A HA 0.096 4.415 4.320 -0.000 0.000 0.215 304 A C 1.036 178.728 177.584 0.179 0.000 1.186 304 A CA 0.959 53.062 52.037 0.110 0.000 0.616 304 A CB -0.020 19.029 19.000 0.083 0.000 0.823 304 A HN 0.506 nan 8.150 nan 0.000 0.442 305 L N 1.131 122.480 121.223 0.209 0.000 2.283 305 L HA 0.094 4.433 4.340 -0.000 0.000 0.287 305 L C 1.171 178.188 176.870 0.245 0.000 1.073 305 L CA -0.410 54.609 54.840 0.299 0.000 0.822 305 L CB 0.994 43.253 42.059 0.334 0.000 1.186 305 L HN 0.547 nan 8.230 nan 0.000 0.436 306 Q N 2.196 122.169 119.800 0.287 0.000 2.033 306 Q HA -0.065 4.275 4.340 -0.000 0.000 0.196 306 Q C 0.629 176.694 176.000 0.109 0.000 0.970 306 Q CA 0.856 56.775 55.803 0.194 0.000 0.828 306 Q CB -0.034 28.854 28.738 0.251 0.000 0.895 306 Q HN 0.747 nan 8.270 nan 0.000 0.440 307 N N 0.449 119.271 118.700 0.203 0.000 2.495 307 N HA 0.098 4.838 4.740 -0.000 0.000 0.294 307 N C -0.344 175.265 175.510 0.164 0.000 1.276 307 N CA -0.472 52.669 53.050 0.151 0.000 0.973 307 N CB 0.564 39.260 38.487 0.348 0.000 1.143 307 N HN -0.140 nan 8.380 nan 0.000 0.589 308 V N 1.729 121.727 119.914 0.140 0.000 2.352 308 V HA 0.234 4.353 4.120 -0.000 0.000 0.253 308 V C -1.917 174.276 176.094 0.166 0.000 1.083 308 V CA -1.010 61.359 62.300 0.116 0.000 0.993 308 V CB -0.243 31.594 31.823 0.024 0.000 1.111 308 V HN 0.665 nan 8.190 nan 0.000 0.490 309 P HA 0.468 nan 4.420 nan 0.000 0.276 309 P C -0.307 176.963 177.300 -0.051 0.000 1.261 309 P CA -0.194 62.862 63.100 -0.074 0.000 0.800 309 P CB 0.875 32.495 31.700 -0.134 0.000 1.066 310 T N -2.651 111.783 114.554 -0.200 0.000 3.041 310 T HA 0.599 4.948 4.350 -0.000 0.000 0.321 310 T C -0.510 174.209 174.700 0.032 0.000 1.184 310 T CA -0.725 61.367 62.100 -0.013 0.000 1.050 310 T CB 0.265 69.120 68.868 -0.023 0.000 1.159 310 T HN 0.161 nan 8.240 nan 0.000 0.469 311 I N 3.106 123.808 120.570 0.220 0.000 2.312 311 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 311 I C 0.604 176.959 176.117 0.397 0.000 1.031 311 I CA -0.778 60.727 61.300 0.342 0.000 1.293 311 I CB 0.777 38.955 38.000 0.298 0.000 1.403 311 I HN 0.435 nan 8.210 nan 0.000 0.484 312 R N 4.591 125.320 120.500 0.382 0.000 2.460 312 R HA 0.372 4.712 4.340 -0.000 0.000 0.303 312 R C 0.009 176.471 176.300 0.270 0.000 0.968 312 R CA -0.885 55.392 56.100 0.295 0.000 0.889 312 R CB 1.478 31.876 30.300 0.163 0.000 1.123 312 R HN 0.550 nan 8.270 nan 0.000 0.455 313 H N 2.915 122.009 119.070 0.041 0.000 2.757 313 H HA 0.037 4.592 4.556 -0.000 0.000 0.370 313 H C 1.128 176.306 175.328 -0.249 0.000 1.172 313 H CA 0.489 56.349 56.048 -0.314 0.000 1.426 313 H CB 0.938 30.543 29.762 -0.262 0.000 1.438 313 H HN 0.588 nan 8.280 nan 0.000 0.612 314 I N 2.675 122.866 120.570 -0.631 0.000 2.179 314 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 314 I C 2.669 178.735 176.117 -0.085 0.000 1.088 314 I CA 0.867 61.998 61.300 -0.282 0.000 1.357 314 I CB -0.230 37.565 38.000 -0.341 0.000 1.051 314 I HN 0.528 nan 8.210 nan 0.000 0.409 315 L N 0.224 121.492 121.223 0.076 0.000 2.127 315 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 315 L C 2.620 179.318 176.870 -0.288 0.000 1.089 315 L CA 0.947 55.659 54.840 -0.214 0.000 0.757 315 L CB -0.516 41.283 42.059 -0.433 0.000 0.899 315 L HN 0.319 nan 8.230 nan 0.000 0.434 316 L N -0.088 121.005 121.223 -0.217 0.000 2.046 316 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 316 L C 1.984 178.769 176.870 -0.143 0.000 1.077 316 L CA 1.925 56.589 54.840 -0.293 0.000 0.747 316 L CB -0.615 41.251 42.059 -0.322 0.000 0.896 316 L HN 0.202 nan 8.230 nan 0.000 0.432 317 D N -0.398 119.970 120.400 -0.054 0.000 2.183 317 D HA -0.051 4.588 4.640 -0.000 0.000 0.203 317 D C 2.165 178.516 176.300 0.084 0.000 0.969 317 D CA 1.267 55.285 54.000 0.030 0.000 0.842 317 D CB -0.064 40.794 40.800 0.098 0.000 0.957 317 D HN 0.495 nan 8.370 nan 0.000 0.484 318 A N 1.139 123.991 122.820 0.054 0.000 1.897 318 A HA 0.066 4.385 4.320 -0.000 0.000 0.215 318 A C 2.319 180.085 177.584 0.304 0.000 1.181 318 A CA 1.701 53.832 52.037 0.156 0.000 0.620 318 A CB -0.675 18.301 19.000 -0.040 0.000 0.821 318 A HN 0.196 nan 8.150 nan 0.000 0.443 319 A N -0.452 122.500 122.820 0.220 0.000 1.986 319 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 319 A C 2.187 180.008 177.584 0.394 0.000 1.171 319 A CA 1.986 54.280 52.037 0.429 0.000 0.640 319 A CB -0.846 18.292 19.000 0.231 0.000 0.811 319 A HN 0.400 nan 8.150 nan 0.000 0.451 320 V N -0.272 119.817 119.914 0.293 0.000 2.453 320 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 320 V C 2.441 178.656 176.094 0.202 0.000 1.048 320 V CA 1.664 64.108 62.300 0.241 0.000 1.049 320 V CB -0.494 31.442 31.823 0.188 0.000 0.672 320 V HN 0.577 nan 8.190 nan 0.000 0.457 321 L N -0.605 120.757 121.223 0.232 0.000 2.240 321 L HA 0.275 4.615 4.340 -0.000 0.000 0.211 321 L C 1.028 178.034 176.870 0.228 0.000 1.106 321 L CA 1.116 56.086 54.840 0.216 0.000 0.793 321 L CB -0.310 41.890 42.059 0.235 0.000 0.927 321 L HN 0.522 nan 8.230 nan 0.000 0.446 322 G N -1.435 107.586 108.800 0.369 0.000 2.547 322 G HA2 0.130 4.089 3.960 -0.000 0.000 0.291 322 G HA3 0.130 4.089 3.960 -0.000 0.000 0.291 322 G C -1.975 173.197 174.900 0.453 0.000 1.471 322 G CA -0.628 44.652 45.100 0.299 0.000 0.798 322 G HN -0.202 nan 8.290 nan 0.000 0.504 323 D N -0.012 120.474 120.400 0.144 0.000 2.423 323 D HA 0.062 4.702 4.640 -0.000 0.000 0.238 323 D C 1.427 177.545 176.300 -0.304 0.000 1.142 323 D CA -0.262 53.713 54.000 -0.042 0.000 0.884 323 D CB 1.532 42.275 40.800 -0.096 0.000 1.199 323 D HN 0.453 nan 8.370 nan 0.000 0.438 324 K N 2.738 122.523 120.400 -1.025 0.000 2.103 324 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 324 K C 1.900 178.225 176.600 -0.458 0.000 1.048 324 K CA 0.969 56.384 56.287 -1.454 0.000 0.930 324 K CB 0.158 31.611 32.500 -1.745 0.000 0.716 324 K HN 0.363 nan 8.250 nan 0.000 0.444 325 R N 0.382 120.685 120.500 -0.329 0.000 2.083 325 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 325 R C 2.150 178.373 176.300 -0.128 0.000 1.137 325 R CA 1.743 57.739 56.100 -0.174 0.000 0.951 325 R CB -0.441 29.773 30.300 -0.143 0.000 0.851 325 R HN 0.269 nan 8.270 nan 0.000 0.434 326 S N -0.513 115.085 115.700 -0.169 0.000 2.795 326 S HA -0.085 4.385 4.470 -0.000 0.000 0.236 326 S C 0.559 174.941 174.600 -0.364 0.000 0.973 326 S CA 0.685 58.724 58.200 -0.268 0.000 0.982 326 S CB -0.203 62.786 63.200 -0.352 0.000 0.786 326 S HN 0.398 nan 8.310 nan 0.000 0.538 327 Y N -0.261 119.986 120.300 -0.088 0.000 2.450 327 Y HA 0.362 4.912 4.550 -0.000 0.000 0.279 327 Y C 0.411 176.299 175.900 -0.021 0.000 1.106 327 Y CA -0.503 57.580 58.100 -0.028 0.000 1.143 327 Y CB 0.817 39.284 38.460 0.013 0.000 1.328 327 Y HN 0.248 nan 8.280 nan 0.000 0.553 328 S N -0.474 115.287 115.700 0.102 0.000 2.584 328 S HA 0.147 4.617 4.470 -0.000 0.000 0.280 328 S C 0.420 175.023 174.600 0.005 0.000 1.162 328 S CA -0.304 57.930 58.200 0.056 0.000 0.951 328 S CB 1.330 64.579 63.200 0.080 0.000 1.108 328 S HN 0.215 nan 8.310 nan 0.000 0.464 329 S N 1.479 117.181 115.700 0.003 0.000 2.474 329 S HA -0.048 4.422 4.470 -0.000 0.000 0.235 329 S C 0.889 175.486 174.600 -0.004 0.000 0.997 329 S CA 0.238 58.432 58.200 -0.010 0.000 0.949 329 S CB -0.192 63.005 63.200 -0.005 0.000 0.766 329 S HN 0.686 nan 8.310 nan 0.000 0.517 330 R N 1.946 122.453 120.500 0.012 0.000 2.638 330 R HA 0.006 4.346 4.340 -0.000 0.000 0.268 330 R C 0.735 177.046 176.300 0.018 0.000 1.006 330 R CA 1.264 57.377 56.100 0.023 0.000 1.088 330 R CB 0.255 30.580 30.300 0.042 0.000 0.950 330 R HN 0.453 nan 8.270 nan 0.000 0.419 331 T N -0.257 114.311 114.554 0.023 0.000 3.105 331 T HA 0.220 4.570 4.350 -0.000 0.000 0.253 331 T C 0.020 174.748 174.700 0.047 0.000 1.047 331 T CA -0.246 61.869 62.100 0.026 0.000 0.944 331 T CB 0.148 69.026 68.868 0.017 0.000 1.016 331 T HN 0.615 nan 8.240 nan 0.000 0.544 332 E N 1.157 121.392 120.200 0.058 0.000 2.393 332 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 332 E C -3.028 173.630 176.600 0.096 0.000 0.941 332 E CA -3.065 53.376 56.400 0.069 0.000 0.801 332 E CB 1.294 31.024 29.700 0.050 0.000 1.313 332 E HN -0.026 nan 8.360 nan 0.000 0.435 333 P HA -0.047 nan 4.420 nan 0.000 0.262 333 P C -0.652 176.711 177.300 0.105 0.000 1.182 333 P CA 0.554 63.722 63.100 0.113 0.000 0.761 333 P CB 0.243 31.996 31.700 0.088 0.000 0.795 334 L N 2.264 123.565 121.223 0.131 0.000 2.453 334 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 334 L C 1.075 177.998 176.870 0.088 0.000 1.182 334 L CA 0.078 54.986 54.840 0.115 0.000 0.858 334 L CB -0.011 42.136 42.059 0.146 0.000 1.120 334 L HN 0.398 nan 8.230 nan 0.000 0.474 335 S N 1.193 116.936 115.700 0.071 0.000 2.589 335 S HA -0.019 4.451 4.470 -0.000 0.000 0.265 335 S C 0.805 175.439 174.600 0.056 0.000 1.342 335 S CA -0.745 57.489 58.200 0.058 0.000 1.005 335 S CB 0.841 64.070 63.200 0.048 0.000 0.909 335 S HN 0.595 nan 8.310 nan 0.000 0.555 336 D N 1.607 122.037 120.400 0.050 0.000 2.149 336 D HA -0.117 4.522 4.640 -0.000 0.000 0.198 336 D C 1.720 178.043 176.300 0.038 0.000 0.990 336 D CA 1.345 55.373 54.000 0.047 0.000 0.839 336 D CB -0.183 40.645 40.800 0.046 0.000 0.948 336 D HN 0.522 nan 8.370 nan 0.000 0.460 337 E N 1.078 121.301 120.200 0.039 0.000 2.038 337 E HA -0.166 4.183 4.350 -0.000 0.000 0.195 337 E C 2.044 178.668 176.600 0.039 0.000 1.000 337 E CA 0.977 57.399 56.400 0.036 0.000 0.803 337 E CB -0.313 29.408 29.700 0.036 0.000 0.750 337 E HN 0.419 nan 8.360 nan 0.000 0.448 338 E N 0.235 120.463 120.200 0.048 0.000 2.160 338 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 338 E C 2.055 178.684 176.600 0.049 0.000 0.991 338 E CA 0.774 57.208 56.400 0.057 0.000 0.810 338 E CB -0.154 29.588 29.700 0.070 0.000 0.742 338 E HN 0.225 nan 8.360 nan 0.000 0.466 339 L N 0.973 122.219 121.223 0.037 0.000 2.093 339 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 339 L C 1.884 178.748 176.870 -0.010 0.000 1.085 339 L CA 0.806 55.651 54.840 0.009 0.000 0.755 339 L CB -0.309 41.753 42.059 0.005 0.000 0.904 339 L HN 0.072 nan 8.230 nan 0.000 0.435 340 D N 0.144 120.546 120.400 0.004 0.000 2.144 340 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 340 D C 2.056 178.367 176.300 0.019 0.000 0.978 340 D CA 1.063 55.066 54.000 0.004 0.000 0.833 340 D CB -0.010 40.799 40.800 0.015 0.000 0.961 340 D HN 0.240 nan 8.370 nan 0.000 0.470 341 K N 0.801 121.221 120.400 0.033 0.000 1.991 341 K HA -0.121 4.199 4.320 -0.000 0.000 0.212 341 K C 2.236 178.874 176.600 0.063 0.000 1.049 341 K CA 1.018 57.335 56.287 0.049 0.000 0.932 341 K CB -0.217 32.318 32.500 0.059 0.000 0.717 341 K HN 0.062 nan 8.250 nan 0.000 0.441 342 I N 1.111 121.721 120.570 0.068 0.000 2.264 342 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 342 I C 2.503 178.662 176.117 0.071 0.000 1.111 342 I CA 1.167 62.523 61.300 0.093 0.000 1.382 342 I CB -0.440 37.584 38.000 0.040 0.000 1.060 342 I HN 0.310 nan 8.210 nan 0.000 0.418 343 A N 0.718 123.555 122.820 0.029 0.000 1.930 343 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 343 A C 2.410 180.022 177.584 0.047 0.000 1.175 343 A CA 1.690 53.741 52.037 0.023 0.000 0.627 343 A CB -0.451 18.541 19.000 -0.015 0.000 0.815 343 A HN 0.354 nan 8.150 nan 0.000 0.443 344 K N -0.308 120.119 120.400 0.046 0.000 2.057 344 K HA -0.200 4.119 4.320 -0.000 0.000 0.207 344 K C 2.229 178.864 176.600 0.059 0.000 1.049 344 K CA 1.642 57.959 56.287 0.050 0.000 0.931 344 K CB -0.215 32.311 32.500 0.043 0.000 0.714 344 K HN 0.651 nan 8.250 nan 0.000 0.440 345 Q N 0.190 120.035 119.800 0.074 0.000 2.096 345 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 345 Q C 1.965 178.016 176.000 0.085 0.000 0.982 345 Q CA 1.407 57.260 55.803 0.084 0.000 0.850 345 Q CB -0.049 28.761 28.738 0.121 0.000 0.901 345 Q HN 0.347 nan 8.270 nan 0.000 0.422 346 L N 0.271 121.554 121.223 0.099 0.000 2.591 346 L HA 0.055 4.395 4.340 -0.000 0.000 0.228 346 L C -0.050 176.870 176.870 0.083 0.000 1.133 346 L CA -0.149 54.750 54.840 0.100 0.000 0.880 346 L CB 0.021 42.156 42.059 0.126 0.000 1.033 346 L HN 0.246 nan 8.230 nan 0.000 0.450 347 N N -0.580 118.165 118.700 0.076 0.000 2.878 347 N HA -0.167 4.572 4.740 -0.000 0.000 0.247 347 N C -0.221 175.387 175.510 0.164 0.000 1.021 347 N CA 0.958 54.063 53.050 0.092 0.000 0.873 347 N CB -1.455 37.053 38.487 0.033 0.000 1.128 347 N HN 0.250 nan 8.380 nan 0.000 0.571 348 L N -0.261 121.030 121.223 0.113 0.000 2.365 348 L HA 0.703 5.043 4.340 -0.000 0.000 0.267 348 L C 1.579 178.465 176.870 0.027 0.000 1.033 348 L CA -0.622 54.267 54.840 0.081 0.000 0.802 348 L CB 0.985 43.081 42.059 0.062 0.000 1.267 348 L HN 0.079 nan 8.230 nan 0.000 0.457 349 G N -0.543 108.249 108.800 -0.014 0.000 2.547 349 G HA2 0.249 4.209 3.960 -0.000 0.000 0.291 349 G HA3 0.249 4.209 3.960 -0.000 0.000 0.291 349 G C 0.390 175.242 174.900 -0.080 0.000 1.211 349 G CA -0.474 44.608 45.100 -0.029 0.000 0.950 349 G HN 0.703 nan 8.290 nan 0.000 0.504 350 R N -1.322 119.119 120.500 -0.099 0.000 2.316 350 R HA 0.058 4.398 4.340 -0.000 0.000 0.202 350 R C -0.624 175.329 176.300 -0.578 0.000 1.029 350 R CA 0.309 56.234 56.100 -0.291 0.000 1.018 350 R CB 0.088 30.267 30.300 -0.201 0.000 0.888 350 R HN 0.520 nan 8.270 nan 0.000 0.471 351 W N -0.935 120.282 121.300 -0.137 0.000 3.256 351 W HA 0.357 5.017 4.660 -0.000 0.000 0.324 351 W C -1.299 175.187 176.519 -0.055 0.000 1.196 351 W CA -0.876 56.407 57.345 -0.102 0.000 1.206 351 W CB 1.638 31.043 29.460 -0.092 0.000 1.385 351 W HN -0.135 nan 8.180 nan 0.000 0.522 352 N N 2.247 121.098 118.700 0.251 0.000 2.500 352 N HA 0.322 5.062 4.740 -0.000 0.000 0.291 352 N C -1.827 173.761 175.510 0.129 0.000 1.092 352 N CA -0.737 52.361 53.050 0.080 0.000 0.890 352 N CB 1.820 40.301 38.487 -0.010 0.000 1.466 352 N HN 0.300 nan 8.380 nan 0.000 0.507 353 F N 3.848 123.735 119.950 -0.106 0.000 2.368 353 F HA 0.397 4.924 4.527 -0.000 0.000 0.362 353 F C -0.965 174.705 175.800 -0.217 0.000 1.137 353 F CA -0.403 57.564 58.000 -0.054 0.000 1.161 353 F CB -0.002 38.990 39.000 -0.013 0.000 1.265 353 F HN 0.401 nan 8.300 nan 0.000 0.530 354 Y N 3.657 123.633 120.300 -0.540 0.000 2.376 354 Y HA 0.746 5.296 4.550 -0.000 0.000 0.325 354 Y C 0.784 176.104 175.900 -0.967 0.000 1.199 354 Y CA -0.219 57.519 58.100 -0.604 0.000 1.206 354 Y CB 1.621 39.851 38.460 -0.382 0.000 1.229 354 Y HN 0.711 nan 8.280 nan 0.000 0.480 355 G N -0.550 107.732 108.800 -0.863 0.000 2.427 355 G HA2 0.698 4.658 3.960 -0.000 0.000 0.306 355 G HA3 0.698 4.658 3.960 -0.000 0.000 0.306 355 G C -2.007 172.547 174.900 -0.576 0.000 1.280 355 G CA -0.190 44.511 45.100 -0.666 0.000 0.837 355 G HN 0.913 nan 8.290 nan 0.000 0.482 356 A N -1.342 121.518 122.820 0.067 0.000 2.581 356 A HA 0.848 5.167 4.320 -0.000 0.000 0.290 356 A C -1.833 176.002 177.584 0.418 0.000 1.119 356 A CA -0.566 51.607 52.037 0.226 0.000 0.670 356 A CB 1.071 20.107 19.000 0.060 0.000 1.280 356 A HN 1.146 nan 8.150 nan 0.000 0.425 357 L N 0.334 121.645 121.223 0.147 0.000 2.386 357 L HA 0.679 5.019 4.340 -0.000 0.000 0.271 357 L C -1.724 175.166 176.870 0.034 0.000 0.993 357 L CA -0.529 54.444 54.840 0.222 0.000 0.819 357 L CB 1.959 44.133 42.059 0.192 0.000 1.294 357 L HN 0.743 nan 8.230 nan 0.000 0.414 358 Y N 0.895 121.332 120.300 0.230 0.000 2.421 358 Y HA 0.825 5.375 4.550 -0.000 0.000 0.339 358 Y C 0.529 176.488 175.900 0.099 0.000 0.996 358 Y CA -0.763 57.443 58.100 0.177 0.000 1.046 358 Y CB 2.408 40.939 38.460 0.118 0.000 1.226 358 Y HN 0.733 nan 8.280 nan 0.000 0.445 359 G N 2.392 111.313 108.800 0.201 0.000 2.359 359 G HA2 0.176 4.135 3.960 -0.000 0.000 0.303 359 G HA3 0.176 4.135 3.960 -0.000 0.000 0.303 359 G C -3.461 171.493 174.900 0.089 0.000 1.293 359 G CA -1.287 43.883 45.100 0.118 0.000 0.964 359 G HN 0.280 nan 8.290 nan 0.000 0.531 360 P HA 0.271 nan 4.420 nan 0.000 0.274 360 P C 0.897 178.233 177.300 0.059 0.000 1.246 360 P CA -0.154 62.978 63.100 0.053 0.000 0.795 360 P CB 0.980 32.703 31.700 0.039 0.000 1.006 361 E N 2.252 122.482 120.200 0.049 0.000 2.070 361 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 361 E C -0.865 175.766 176.600 0.051 0.000 1.004 361 E CA 2.071 58.499 56.400 0.046 0.000 0.805 361 E CB -1.342 28.376 29.700 0.030 0.000 0.744 361 E HN 0.366 nan 8.360 nan 0.000 0.451 362 P HA -0.166 nan 4.420 nan 0.000 0.216 362 P C 1.307 178.640 177.300 0.055 0.000 1.150 362 P CA 1.109 64.235 63.100 0.043 0.000 0.837 362 P CB -0.018 31.702 31.700 0.033 0.000 0.786 363 I N -0.690 119.917 120.570 0.061 0.000 2.193 363 I HA -0.142 4.027 4.170 -0.000 0.000 0.240 363 I C 2.401 178.577 176.117 0.098 0.000 1.084 363 I CA 1.429 62.773 61.300 0.074 0.000 1.365 363 I CB -1.359 36.687 38.000 0.076 0.000 1.064 363 I HN -0.047 nan 8.210 nan 0.000 0.410 364 R N 0.292 120.856 120.500 0.107 0.000 2.112 364 R HA -0.236 4.104 4.340 -0.000 0.000 0.242 364 R C 2.475 178.868 176.300 0.156 0.000 1.137 364 R CA 1.939 58.118 56.100 0.131 0.000 0.944 364 R CB -0.429 29.933 30.300 0.104 0.000 0.857 364 R HN 0.297 nan 8.270 nan 0.000 0.435 365 R N 0.488 121.061 120.500 0.123 0.000 2.080 365 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 365 R C 2.139 178.527 176.300 0.146 0.000 1.137 365 R CA 1.889 58.076 56.100 0.144 0.000 0.943 365 R CB -0.259 30.094 30.300 0.087 0.000 0.846 365 R HN 0.093 nan 8.270 nan 0.000 0.431 366 V N 1.718 121.689 119.914 0.095 0.000 2.287 366 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 366 V C 2.441 178.570 176.094 0.058 0.000 1.053 366 V CA 1.873 64.211 62.300 0.062 0.000 1.027 366 V CB -0.531 31.320 31.823 0.045 0.000 0.646 366 V HN 0.344 nan 8.190 nan 0.000 0.447 367 L N -1.031 120.249 121.223 0.095 0.000 2.017 367 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 367 L C 2.473 179.383 176.870 0.067 0.000 1.073 367 L CA 2.142 57.035 54.840 0.088 0.000 0.745 367 L CB -0.746 41.397 42.059 0.140 0.000 0.894 367 L HN 0.550 nan 8.230 nan 0.000 0.432 368 W N 1.858 123.124 121.300 -0.057 0.000 2.325 368 W HA -0.231 4.429 4.660 -0.000 0.000 0.299 368 W C 2.237 178.671 176.519 -0.142 0.000 1.215 368 W CA 1.605 58.874 57.345 -0.126 0.000 1.244 368 W CB 0.051 29.468 29.460 -0.072 0.000 1.140 368 W HN 0.245 nan 8.180 nan 0.000 0.523 369 E N -0.115 119.954 120.200 -0.217 0.000 2.017 369 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 369 E C 2.010 178.400 176.600 -0.349 0.000 0.997 369 E CA 2.390 58.601 56.400 -0.316 0.000 0.804 369 E CB -1.049 28.581 29.700 -0.117 0.000 0.757 369 E HN 0.229 nan 8.360 nan 0.000 0.448 370 T N 2.151 116.579 114.554 -0.209 0.000 2.699 370 T HA -0.138 4.211 4.350 -0.000 0.000 0.268 370 T C 2.164 176.739 174.700 -0.209 0.000 1.036 370 T CA 1.210 63.212 62.100 -0.163 0.000 1.147 370 T CB -0.278 68.540 68.868 -0.083 0.000 0.862 370 T HN 0.116 nan 8.240 nan 0.000 0.446 371 I N 0.656 121.057 120.570 -0.282 0.000 2.252 371 I HA -0.148 4.021 4.170 -0.000 0.000 0.245 371 I C 2.670 178.539 176.117 -0.414 0.000 1.102 371 I CA 1.268 62.406 61.300 -0.271 0.000 1.385 371 I CB -0.323 37.472 38.000 -0.341 0.000 1.064 371 I HN 0.195 nan 8.210 nan 0.000 0.414 372 K N 0.997 120.843 120.400 -0.924 0.000 2.025 372 K HA -0.197 4.122 4.320 -0.000 0.000 0.207 372 K C 1.700 178.028 176.600 -0.453 0.000 1.049 372 K CA 1.779 57.423 56.287 -1.071 0.000 0.933 372 K CB -0.009 31.523 32.500 -1.614 0.000 0.714 372 K HN 0.174 nan 8.250 nan 0.000 0.438 373 D N 0.651 120.828 120.400 -0.371 0.000 2.123 373 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 373 D C 1.768 178.006 176.300 -0.104 0.000 0.992 373 D CA 1.406 55.291 54.000 -0.192 0.000 0.833 373 D CB -0.272 40.428 40.800 -0.168 0.000 0.954 373 D HN 0.376 nan 8.370 nan 0.000 0.455 374 A N 0.370 123.129 122.820 -0.102 0.000 1.858 374 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 374 A C 2.007 179.548 177.584 -0.071 0.000 1.190 374 A CA 0.985 52.970 52.037 -0.087 0.000 0.617 374 A CB -1.049 17.889 19.000 -0.104 0.000 0.827 374 A HN 0.158 nan 8.150 nan 0.000 0.443 375 F N 1.102 120.991 119.950 -0.101 0.000 2.451 375 F HA -0.077 4.449 4.527 -0.000 0.000 0.299 375 F C 2.584 178.390 175.800 0.010 0.000 1.101 375 F CA 1.151 59.119 58.000 -0.054 0.000 1.436 375 F CB -0.238 38.761 39.000 -0.002 0.000 1.074 375 F HN 0.127 nan 8.300 nan 0.000 0.553 376 S N 0.085 115.906 115.700 0.203 0.000 2.400 376 S HA -0.233 4.237 4.470 -0.000 0.000 0.232 376 S C 2.430 177.058 174.600 0.046 0.000 1.025 376 S CA 0.935 59.220 58.200 0.143 0.000 0.993 376 S CB -0.628 62.626 63.200 0.091 0.000 0.808 376 S HN 0.412 nan 8.310 nan 0.000 0.478 377 A N 1.090 123.906 122.820 -0.007 0.000 2.032 377 A HA -0.031 4.288 4.320 -0.000 0.000 0.221 377 A C 0.980 178.542 177.584 -0.038 0.000 1.165 377 A CA 0.857 52.872 52.037 -0.038 0.000 0.645 377 A CB -0.673 18.282 19.000 -0.074 0.000 0.807 377 A HN 0.496 nan 8.150 nan 0.000 0.453 378 I N 1.200 121.750 120.570 -0.035 0.000 2.436 378 I HA 0.122 4.292 4.170 -0.000 0.000 0.289 378 I C -2.326 173.781 176.117 -0.017 0.000 1.083 378 I CA -1.962 59.316 61.300 -0.037 0.000 1.372 378 I CB 1.096 39.073 38.000 -0.038 0.000 1.408 378 I HN 0.030 nan 8.210 nan 0.000 0.516 379 P HA 0.097 nan 4.420 nan 0.000 0.271 379 P C 0.731 178.024 177.300 -0.012 0.000 1.220 379 P CA 0.385 63.480 63.100 -0.007 0.000 0.768 379 P CB 0.831 32.527 31.700 -0.006 0.000 0.848 380 G N 1.600 110.395 108.800 -0.008 0.000 2.184 380 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.264 380 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.264 380 G C 0.337 175.200 174.900 -0.062 0.000 0.975 380 G CA 0.077 45.167 45.100 -0.016 0.000 0.642 380 G HN 0.653 nan 8.290 nan 0.000 0.536 381 V N 0.217 120.070 119.914 -0.102 0.000 3.178 381 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 381 V C 0.084 175.970 176.094 -0.346 0.000 1.107 381 V CA 0.313 62.457 62.300 -0.260 0.000 1.195 381 V CB 1.212 32.855 31.823 -0.299 0.000 0.993 381 V HN 0.267 nan 8.190 nan 0.000 0.493 382 K N 5.492 125.546 120.400 -0.578 0.000 2.619 382 K HA 0.322 4.642 4.320 -0.000 0.000 0.251 382 K C -1.530 174.590 176.600 -0.799 0.000 0.987 382 K CA -0.104 55.905 56.287 -0.463 0.000 0.844 382 K CB 1.623 34.007 32.500 -0.194 0.000 1.237 382 K HN 0.549 nan 8.250 nan 0.000 0.447 383 F N 3.798 123.653 119.950 -0.158 0.000 2.375 383 F HA 0.296 4.823 4.527 -0.000 0.000 0.362 383 F C 0.133 175.965 175.800 0.053 0.000 1.129 383 F CA -0.564 57.381 58.000 -0.092 0.000 1.154 383 F CB 0.214 39.338 39.000 0.207 0.000 1.205 383 F HN 0.263 nan 8.300 nan 0.000 0.513 384 Y N 2.173 122.569 120.300 0.160 0.000 2.457 384 Y HA 0.590 5.140 4.550 -0.000 0.000 0.333 384 Y C -0.350 175.543 175.900 -0.011 0.000 1.119 384 Y CA -2.398 55.785 58.100 0.138 0.000 1.143 384 Y CB 0.578 39.083 38.460 0.075 0.000 1.230 384 Y HN 0.300 nan 8.280 nan 0.000 0.469 385 F N 3.016 123.067 119.950 0.168 0.000 2.450 385 F HA 0.397 4.924 4.527 -0.000 0.000 0.328 385 F C -1.168 174.658 175.800 0.044 0.000 1.068 385 F CA -2.255 55.758 58.000 0.022 0.000 1.007 385 F CB 0.991 39.948 39.000 -0.071 0.000 1.251 385 F HN 0.285 nan 8.300 nan 0.000 0.492 386 P HA -0.212 nan 4.420 nan 0.000 0.216 386 P C 0.920 178.276 177.300 0.094 0.000 1.153 386 P CA 1.903 65.062 63.100 0.099 0.000 0.858 386 P CB 0.264 31.996 31.700 0.053 0.000 0.789 387 E N 0.660 120.918 120.200 0.097 0.000 2.058 387 E HA -0.166 4.183 4.350 -0.000 0.000 0.194 387 E C 1.241 177.870 176.600 0.048 0.000 0.997 387 E CA 1.133 57.565 56.400 0.053 0.000 0.801 387 E CB -1.166 28.550 29.700 0.027 0.000 0.746 387 E HN 0.361 nan 8.360 nan 0.000 0.450 388 D N 1.192 121.643 120.400 0.085 0.000 2.387 388 D HA -0.040 4.600 4.640 -0.000 0.000 0.257 388 D C 0.503 176.782 176.300 -0.036 0.000 1.198 388 D CA 0.602 54.627 54.000 0.043 0.000 0.945 388 D CB -0.427 40.454 40.800 0.135 0.000 0.907 388 D HN 0.219 nan 8.370 nan 0.000 0.518 389 T N -3.877 110.673 114.554 -0.006 0.000 2.864 389 T HA 0.488 4.838 4.350 -0.000 0.000 0.299 389 T C -3.068 171.627 174.700 -0.008 0.000 1.166 389 T CA -1.990 60.091 62.100 -0.032 0.000 1.007 389 T CB 2.657 71.539 68.868 0.024 0.000 1.219 389 T HN -0.334 nan 8.240 nan 0.000 0.506 390 P HA 0.148 nan 4.420 nan 0.000 0.266 390 P C 0.249 177.562 177.300 0.022 0.000 1.195 390 P CA 0.029 63.132 63.100 0.006 0.000 0.768 390 P CB 0.348 32.055 31.700 0.012 0.000 0.838 391 E N 1.531 121.743 120.200 0.019 0.000 2.381 391 E HA -0.132 4.217 4.350 -0.000 0.000 0.198 391 E C 0.570 177.187 176.600 0.029 0.000 1.204 391 E CA 0.520 56.934 56.400 0.023 0.000 0.998 391 E CB -1.219 28.491 29.700 0.017 0.000 1.080 391 E HN 0.415 nan 8.360 nan 0.000 0.481 392 N N -1.026 117.696 118.700 0.037 0.000 2.149 392 N HA -0.059 4.681 4.740 -0.000 0.000 0.229 392 N C -0.204 175.340 175.510 0.057 0.000 1.284 392 N CA 0.375 53.451 53.050 0.043 0.000 0.864 392 N CB -0.474 38.038 38.487 0.043 0.000 1.169 392 N HN 0.081 nan 8.380 nan 0.000 0.478 393 S N 0.529 116.268 115.700 0.065 0.000 2.593 393 S HA -0.010 4.460 4.470 -0.000 0.000 0.303 393 S C 1.559 176.214 174.600 0.092 0.000 1.267 393 S CA -0.091 58.164 58.200 0.091 0.000 1.047 393 S CB 0.589 63.846 63.200 0.096 0.000 0.777 393 S HN 0.053 nan 8.310 nan 0.000 0.498 394 V N 2.854 122.837 119.914 0.114 0.000 2.490 394 V HA -0.141 3.978 4.120 -0.000 0.000 0.250 394 V C 2.261 178.384 176.094 0.049 0.000 1.061 394 V CA 1.754 64.083 62.300 0.049 0.000 1.064 394 V CB -1.079 30.758 31.823 0.023 0.000 0.670 394 V HN 0.857 nan 8.190 nan 0.000 0.461 395 L N 0.634 121.995 121.223 0.231 0.000 2.046 395 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 395 L C 2.509 179.438 176.870 0.099 0.000 1.077 395 L CA 1.842 56.834 54.840 0.253 0.000 0.747 395 L CB -0.695 41.531 42.059 0.278 0.000 0.896 395 L HN 0.193 nan 8.230 nan 0.000 0.432 396 R N -1.296 119.250 120.500 0.078 0.000 2.241 396 R HA -0.080 4.260 4.340 -0.000 0.000 0.224 396 R C 1.929 178.245 176.300 0.026 0.000 1.101 396 R CA 1.150 57.279 56.100 0.048 0.000 0.995 396 R CB -0.312 30.015 30.300 0.045 0.000 0.870 396 R HN 0.348 nan 8.270 nan 0.000 0.463 397 V N 0.471 120.389 119.914 0.007 0.000 2.426 397 V HA -0.100 4.020 4.120 -0.000 0.000 0.242 397 V C 2.078 178.140 176.094 -0.052 0.000 1.036 397 V CA 1.180 63.465 62.300 -0.024 0.000 1.044 397 V CB -0.318 31.484 31.823 -0.035 0.000 0.688 397 V HN 0.240 nan 8.190 nan 0.000 0.462 398 R N 0.589 121.033 120.500 -0.093 0.000 2.193 398 R HA -0.184 4.155 4.340 -0.000 0.000 0.229 398 R C 1.888 178.181 176.300 -0.013 0.000 1.110 398 R CA 1.527 57.553 56.100 -0.124 0.000 0.988 398 R CB -0.525 29.612 30.300 -0.272 0.000 0.871 398 R HN 0.534 nan 8.270 nan 0.000 0.458 399 D N 1.391 121.811 120.400 0.033 0.000 2.182 399 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 399 D C 1.424 177.829 176.300 0.174 0.000 0.986 399 D CA 1.410 55.484 54.000 0.124 0.000 0.847 399 D CB 0.202 41.047 40.800 0.075 0.000 0.942 399 D HN 0.179 nan 8.370 nan 0.000 0.467 400 K N -0.933 119.495 120.400 0.047 0.000 2.098 400 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 400 K C 2.206 178.769 176.600 -0.061 0.000 1.051 400 K CA 1.097 57.370 56.287 -0.024 0.000 0.957 400 K CB -0.105 32.357 32.500 -0.064 0.000 0.738 400 K HN 0.035 nan 8.250 nan 0.000 0.447 401 T N 1.857 116.385 114.554 -0.043 0.000 2.684 401 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 401 T C 1.549 176.281 174.700 0.052 0.000 1.036 401 T CA 1.351 63.434 62.100 -0.028 0.000 1.148 401 T CB -0.111 68.719 68.868 -0.064 0.000 0.863 401 T HN 0.164 nan 8.240 nan 0.000 0.436 402 M N 1.686 121.344 119.600 0.097 0.000 2.747 402 M HA 0.017 4.497 4.480 -0.000 0.000 0.221 402 M C 1.248 177.595 176.300 0.077 0.000 1.107 402 M CA 0.719 56.139 55.300 0.200 0.000 1.031 402 M CB -0.166 32.597 32.600 0.271 0.000 1.727 402 M HN 0.407 nan 8.290 nan 0.000 0.517 403 Q N -2.085 117.659 119.800 -0.093 0.000 2.023 403 Q HA 0.354 4.693 4.340 -0.000 0.000 0.211 403 Q C 0.647 176.441 176.000 -0.342 0.000 0.787 403 Q CA 0.257 55.847 55.803 -0.356 0.000 1.035 403 Q CB 0.602 28.797 28.738 -0.905 0.000 1.221 403 Q HN 0.322 nan 8.270 nan 0.000 0.443 404 G N 1.391 110.125 108.800 -0.109 0.000 2.179 404 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 404 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 404 G C 0.073 174.852 174.900 -0.202 0.000 0.977 404 G CA 0.261 45.302 45.100 -0.098 0.000 0.641 404 G HN 0.452 nan 8.290 nan 0.000 0.533 405 I N 3.258 123.668 120.570 -0.266 0.000 2.352 405 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 405 I C -1.481 174.427 176.117 -0.348 0.000 1.036 405 I CA -2.100 58.973 61.300 -0.379 0.000 1.336 405 I CB 1.122 38.947 38.000 -0.291 0.000 1.407 405 I HN -0.061 nan 8.210 nan 0.000 0.497 406 P HA 0.230 nan 4.420 nan 0.000 0.274 406 P C -0.406 176.728 177.300 -0.277 0.000 1.237 406 P CA -0.048 62.792 63.100 -0.433 0.000 0.793 406 P CB 1.253 32.499 31.700 -0.755 0.000 0.977 407 T N -1.987 112.384 114.554 -0.304 0.000 2.648 407 T HA 0.508 4.858 4.350 -0.000 0.000 0.304 407 T C -0.851 173.508 174.700 -0.568 0.000 1.312 407 T CA -0.300 61.669 62.100 -0.219 0.000 1.023 407 T CB 0.846 69.645 68.868 -0.115 0.000 1.612 407 T HN 0.295 nan 8.240 nan 0.000 0.487 408 Y N -1.098 119.201 120.300 -0.002 0.000 2.957 408 Y HA 0.257 4.807 4.550 -0.000 0.000 0.274 408 Y C 0.943 176.782 175.900 -0.102 0.000 1.065 408 Y CA -0.638 57.410 58.100 -0.087 0.000 1.273 408 Y CB 0.162 38.571 38.460 -0.085 0.000 1.358 408 Y HN 0.537 nan 8.280 nan 0.000 0.585 409 D N 1.166 121.595 120.400 0.049 0.000 2.182 409 D HA -0.165 4.474 4.640 -0.000 0.000 0.201 409 D C 1.545 177.844 176.300 -0.001 0.000 0.986 409 D CA 1.570 55.586 54.000 0.027 0.000 0.847 409 D CB 0.067 40.881 40.800 0.024 0.000 0.942 409 D HN 0.490 nan 8.370 nan 0.000 0.467 410 E N 0.289 120.477 120.200 -0.021 0.000 2.209 410 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 410 E C 2.133 178.603 176.600 -0.217 0.000 0.993 410 E CA 0.342 56.743 56.400 0.002 0.000 0.819 410 E CB -0.182 29.593 29.700 0.124 0.000 0.745 410 E HN 0.374 nan 8.360 nan 0.000 0.477 411 L N 0.946 121.982 121.223 -0.312 0.000 2.187 411 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 411 L C 2.197 178.801 176.870 -0.443 0.000 1.100 411 L CA 1.104 55.634 54.840 -0.517 0.000 0.765 411 L CB -0.443 41.382 42.059 -0.390 0.000 0.904 411 L HN 0.070 nan 8.230 nan 0.000 0.437 412 K N 0.236 120.518 120.400 -0.196 0.000 2.173 412 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 412 K C 1.964 178.577 176.600 0.022 0.000 1.046 412 K CA 2.023 58.275 56.287 -0.059 0.000 0.929 412 K CB -0.339 32.182 32.500 0.035 0.000 0.720 412 K HN 0.636 nan 8.250 nan 0.000 0.453 413 W N 0.720 122.022 121.300 0.003 0.000 2.425 413 W HA -0.080 4.579 4.660 -0.000 0.000 0.277 413 W C 1.164 177.689 176.519 0.010 0.000 1.231 413 W CA 0.429 57.791 57.345 0.029 0.000 1.248 413 W CB -0.604 28.852 29.460 -0.006 0.000 1.117 413 W HN -0.052 nan 8.180 nan 0.000 0.568 414 I N 1.869 122.170 120.570 -0.447 0.000 2.423 414 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 414 I C 1.324 177.378 176.117 -0.105 0.000 1.151 414 I CA 1.497 62.535 61.300 -0.438 0.000 1.421 414 I CB -0.601 36.995 38.000 -0.673 0.000 1.079 414 I HN -0.157 nan 8.210 nan 0.000 0.431 415 D N 0.100 120.484 120.400 -0.027 0.000 2.352 415 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 415 D C 1.538 177.928 176.300 0.149 0.000 1.055 415 D CA 0.181 54.202 54.000 0.034 0.000 0.891 415 D CB -0.198 40.596 40.800 -0.010 0.000 0.897 415 D HN 0.512 nan 8.370 nan 0.000 0.529 416 W N 0.869 122.200 121.300 0.051 0.000 2.315 416 W HA -0.205 4.455 4.660 -0.000 0.000 0.323 416 W C 0.059 176.604 176.519 0.042 0.000 1.233 416 W CA 0.717 58.108 57.345 0.077 0.000 1.267 416 W CB -0.051 29.468 29.460 0.098 0.000 1.160 416 W HN -0.061 nan 8.180 nan 0.000 0.474 417 L N 0.089 121.398 121.223 0.143 0.000 2.567 417 L HA 0.190 4.530 4.340 -0.000 0.000 0.238 417 L C -0.838 176.009 176.870 -0.038 0.000 1.168 417 L CA -1.586 53.257 54.840 0.005 0.000 0.817 417 L CB -0.910 41.195 42.059 0.076 0.000 1.409 417 L HN -0.301 nan 8.230 nan 0.000 0.502 418 P HA -0.067 nan 4.420 nan 0.000 0.202 418 P C -0.433 176.826 177.300 -0.069 0.000 1.189 418 P CA 1.101 64.169 63.100 -0.053 0.000 0.921 418 P CB 0.042 31.720 31.700 -0.038 0.000 0.756 419 N N 0.745 119.399 118.700 -0.077 0.000 2.482 419 N HA 0.200 4.940 4.740 -0.000 0.000 0.242 419 N C 0.523 175.901 175.510 -0.220 0.000 1.100 419 N CA 0.181 53.159 53.050 -0.120 0.000 0.946 419 N CB 0.003 38.438 38.487 -0.086 0.000 1.227 419 N HN 0.081 nan 8.380 nan 0.000 0.508 420 G N 0.834 109.494 108.800 -0.233 0.000 2.398 420 G HA2 0.465 4.424 3.960 -0.000 0.000 0.246 420 G HA3 0.465 4.424 3.960 -0.000 0.000 0.246 420 G C -0.481 174.066 174.900 -0.588 0.000 1.289 420 G CA -0.298 44.606 45.100 -0.326 0.000 0.869 420 G HN 0.586 nan 8.290 nan 0.000 0.543 421 A N 2.957 125.325 122.820 -0.754 0.000 2.491 421 A HA 0.586 4.906 4.320 -0.000 0.000 0.293 421 A C -0.479 176.751 177.584 -0.591 0.000 1.047 421 A CA -0.843 50.531 52.037 -1.105 0.000 0.735 421 A CB 0.958 19.072 19.000 -1.478 0.000 1.281 421 A HN 1.215 nan 8.150 nan 0.000 0.398 422 H N 1.334 120.233 119.070 -0.285 0.000 2.488 422 H HA 0.845 5.401 4.556 -0.000 0.000 0.347 422 H C -1.487 173.845 175.328 0.006 0.000 1.174 422 H CA -1.709 54.303 56.048 -0.060 0.000 1.307 422 H CB 1.589 31.249 29.762 -0.170 0.000 1.517 422 H HN 0.891 nan 8.280 nan 0.000 0.554 423 L N 2.835 123.949 121.223 -0.180 0.000 2.661 423 L HA 0.316 4.656 4.340 -0.000 0.000 0.263 423 L C -2.093 174.606 176.870 -0.284 0.000 0.956 423 L CA -0.376 54.361 54.840 -0.171 0.000 0.918 423 L CB 0.946 43.055 42.059 0.084 0.000 1.280 423 L HN 0.466 nan 8.230 nan 0.000 0.416 424 F N 5.211 125.071 119.950 -0.149 0.000 2.411 424 F HA 0.474 5.000 4.527 -0.000 0.000 0.350 424 F C -0.130 175.670 175.800 0.001 0.000 1.114 424 F CA -0.299 57.634 58.000 -0.112 0.000 1.135 424 F CB 1.144 39.970 39.000 -0.291 0.000 1.120 424 F HN 0.369 nan 8.300 nan 0.000 0.495 425 F N 2.387 122.398 119.950 0.101 0.000 2.421 425 F HA 0.631 5.158 4.527 -0.000 0.000 0.337 425 F C -0.314 175.534 175.800 0.080 0.000 1.105 425 F CA -0.698 57.311 58.000 0.015 0.000 1.049 425 F CB 1.209 40.157 39.000 -0.086 0.000 1.139 425 F HN 0.307 nan 8.300 nan 0.000 0.479 426 S N 7.281 122.659 115.700 -0.536 0.000 2.381 426 S HA 0.339 4.809 4.470 -0.000 0.000 0.193 426 S C -2.938 171.456 174.600 -0.342 0.000 1.287 426 S CA -0.897 57.154 58.200 -0.247 0.000 1.199 426 S CB 1.044 64.335 63.200 0.150 0.000 1.214 426 S HN 0.386 nan 8.310 nan 0.000 0.444 427 P HA 0.495 nan 4.420 nan 0.000 0.285 427 P C -0.625 176.603 177.300 -0.120 0.000 1.269 427 P CA -0.777 62.161 63.100 -0.270 0.000 0.844 427 P CB 0.735 32.295 31.700 -0.234 0.000 1.094 428 I N 0.615 121.158 120.570 -0.046 0.000 2.499 428 I HA 0.616 4.786 4.170 -0.000 0.000 0.296 428 I C 0.542 176.688 176.117 0.049 0.000 0.992 428 I CA -0.701 60.580 61.300 -0.033 0.000 1.297 428 I CB 0.715 38.694 38.000 -0.035 0.000 1.410 428 I HN 0.447 nan 8.210 nan 0.000 0.507 429 A N 5.793 128.664 122.820 0.084 0.000 2.549 429 A HA 0.533 4.852 4.320 -0.000 0.000 0.297 429 A C -0.415 177.260 177.584 0.152 0.000 1.061 429 A CA -0.835 51.279 52.037 0.127 0.000 0.690 429 A CB 1.402 20.441 19.000 0.064 0.000 1.287 429 A HN 0.656 nan 8.150 nan 0.000 0.402 430 K N 0.283 120.794 120.400 0.185 0.000 2.336 430 K HA 0.247 4.567 4.320 -0.000 0.000 0.262 430 K C -0.048 176.589 176.600 0.062 0.000 0.992 430 K CA -0.172 56.187 56.287 0.120 0.000 0.927 430 K CB 0.623 33.197 32.500 0.123 0.000 0.956 430 K HN 0.356 nan 8.250 nan 0.000 0.495 431 V N 2.150 122.085 119.914 0.034 0.000 2.248 431 V HA -0.008 4.112 4.120 -0.000 0.000 0.309 431 V C 0.163 176.233 176.094 -0.040 0.000 1.722 431 V CA 0.231 62.526 62.300 -0.009 0.000 1.693 431 V CB -0.682 31.144 31.823 0.005 0.000 1.470 431 V HN 0.624 nan 8.190 nan 0.000 0.518 432 S N 0.898 116.572 115.700 -0.045 0.000 2.538 432 S HA 0.613 5.082 4.470 -0.000 0.000 0.288 432 S C 1.282 175.825 174.600 -0.094 0.000 1.108 432 S CA 0.080 58.248 58.200 -0.054 0.000 0.971 432 S CB 1.947 65.146 63.200 -0.002 0.000 1.041 432 S HN 0.511 nan 8.310 nan 0.000 0.483 433 G N 2.616 111.344 108.800 -0.120 0.000 2.422 433 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 433 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 433 G C 1.109 175.959 174.900 -0.084 0.000 1.146 433 G CA 1.205 46.215 45.100 -0.150 0.000 0.769 433 G HN 0.724 nan 8.290 nan 0.000 0.547 434 E N 0.710 120.890 120.200 -0.033 0.000 2.072 434 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 434 E C 2.028 178.677 176.600 0.081 0.000 0.985 434 E CA 1.354 57.764 56.400 0.017 0.000 0.801 434 E CB -0.362 29.352 29.700 0.023 0.000 0.750 434 E HN 0.311 nan 8.360 nan 0.000 0.452 435 D N -0.654 119.810 120.400 0.107 0.000 2.117 435 D HA -0.029 4.611 4.640 -0.000 0.000 0.198 435 D C 1.736 178.162 176.300 0.211 0.000 0.982 435 D CA 1.605 55.754 54.000 0.247 0.000 0.828 435 D CB -0.298 40.656 40.800 0.256 0.000 0.967 435 D HN 0.242 nan 8.370 nan 0.000 0.464 436 A N -0.318 122.525 122.820 0.039 0.000 2.015 436 A HA -0.099 4.220 4.320 -0.000 0.000 0.219 436 A C 2.095 179.684 177.584 0.008 0.000 1.163 436 A CA 1.411 53.407 52.037 -0.068 0.000 0.646 436 A CB -0.521 18.235 19.000 -0.407 0.000 0.806 436 A HN 0.299 nan 8.150 nan 0.000 0.448 437 M N -0.841 118.774 119.600 0.025 0.000 2.193 437 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 437 M C 2.107 178.525 176.300 0.198 0.000 1.071 437 M CA 1.588 56.953 55.300 0.108 0.000 1.140 437 M CB -0.459 32.175 32.600 0.056 0.000 1.369 437 M HN 0.412 nan 8.290 nan 0.000 0.423 438 M N -0.884 118.842 119.600 0.209 0.000 2.080 438 M HA -0.279 4.201 4.480 -0.000 0.000 0.260 438 M C 2.328 178.797 176.300 0.282 0.000 1.068 438 M CA 2.062 57.529 55.300 0.278 0.000 1.109 438 M CB -0.785 32.047 32.600 0.387 0.000 1.342 438 M HN 0.410 nan 8.290 nan 0.000 0.405 439 Q N -0.153 119.729 119.800 0.137 0.000 2.096 439 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 439 Q C 2.060 178.116 176.000 0.094 0.000 0.982 439 Q CA 1.903 57.548 55.803 -0.263 0.000 0.850 439 Q CB -0.315 27.898 28.738 -0.876 0.000 0.901 439 Q HN 0.577 nan 8.270 nan 0.000 0.422 440 Y N 0.288 120.678 120.300 0.149 0.000 2.165 440 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 440 Y C 1.971 177.862 175.900 -0.014 0.000 1.155 440 Y CA 1.626 59.830 58.100 0.172 0.000 1.164 440 Y CB -0.699 37.916 38.460 0.258 0.000 0.978 440 Y HN 0.203 nan 8.280 nan 0.000 0.513 441 A N -0.517 122.214 122.820 -0.148 0.000 1.969 441 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 441 A C 2.444 179.946 177.584 -0.137 0.000 1.169 441 A CA 1.640 53.524 52.037 -0.254 0.000 0.635 441 A CB -1.408 17.546 19.000 -0.076 0.000 0.810 441 A HN 0.442 nan 8.150 nan 0.000 0.445 442 V N 0.585 120.492 119.914 -0.012 0.000 2.323 442 V HA -0.186 3.933 4.120 -0.000 0.000 0.244 442 V C 2.840 178.918 176.094 -0.028 0.000 1.041 442 V CA 3.105 65.421 62.300 0.027 0.000 1.025 442 V CB -0.909 31.006 31.823 0.153 0.000 0.656 442 V HN 0.791 nan 8.190 nan 0.000 0.451 443 T N -1.817 112.720 114.554 -0.029 0.000 2.788 443 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 443 T C 1.936 176.652 174.700 0.026 0.000 1.044 443 T CA 1.996 64.092 62.100 -0.008 0.000 1.139 443 T CB -0.489 68.460 68.868 0.135 0.000 0.867 443 T HN 0.555 nan 8.240 nan 0.000 0.454 444 K N 1.106 121.408 120.400 -0.164 0.000 2.002 444 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 444 K C 2.604 179.164 176.600 -0.068 0.000 1.048 444 K CA 1.205 57.374 56.287 -0.197 0.000 0.930 444 K CB -0.181 31.932 32.500 -0.645 0.000 0.714 444 K HN 0.092 nan 8.250 nan 0.000 0.438 445 K N 1.001 121.349 120.400 -0.088 0.000 2.074 445 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 445 K C 1.997 178.613 176.600 0.026 0.000 1.048 445 K CA 1.445 57.717 56.287 -0.026 0.000 0.926 445 K CB -0.101 32.387 32.500 -0.021 0.000 0.713 445 K HN 0.132 nan 8.250 nan 0.000 0.444 446 R N 0.105 120.617 120.500 0.020 0.000 2.115 446 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 446 R C 2.553 178.908 176.300 0.090 0.000 1.111 446 R CA 0.991 57.127 56.100 0.060 0.000 0.976 446 R CB -1.194 29.080 30.300 -0.043 0.000 0.870 446 R HN 0.300 nan 8.270 nan 0.000 0.445 447 C N 1.004 120.341 119.300 0.062 0.000 2.446 447 C HA -0.051 4.408 4.460 -0.000 0.000 0.277 447 C C 2.686 177.724 174.990 0.080 0.000 1.275 447 C CA 0.439 59.503 59.018 0.078 0.000 1.727 447 C CB -0.524 27.292 27.740 0.127 0.000 2.010 447 C HN 0.461 nan 8.230 nan 0.000 0.486 448 Q N 1.086 120.927 119.800 0.068 0.000 2.050 448 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 448 Q C 1.889 177.922 176.000 0.055 0.000 0.980 448 Q CA 1.463 57.299 55.803 0.055 0.000 0.840 448 Q CB -0.684 28.075 28.738 0.035 0.000 0.898 448 Q HN 0.716 nan 8.270 nan 0.000 0.424 449 E N 0.706 120.949 120.200 0.073 0.000 2.130 449 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 449 E C 1.525 178.140 176.600 0.025 0.000 0.998 449 E CA 1.177 57.616 56.400 0.064 0.000 0.806 449 E CB -0.091 29.701 29.700 0.153 0.000 0.738 449 E HN 0.345 nan 8.360 nan 0.000 0.459 450 A N -0.071 122.799 122.820 0.082 0.000 2.251 450 A HA 0.292 4.612 4.320 -0.000 0.000 0.209 450 A C 1.640 179.247 177.584 0.038 0.000 1.187 450 A CA 0.709 52.781 52.037 0.058 0.000 0.823 450 A CB -0.140 18.941 19.000 0.134 0.000 0.846 450 A HN 0.321 nan 8.150 nan 0.000 0.486 451 G N -1.104 107.720 108.800 0.041 0.000 2.153 451 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.252 451 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.252 451 G C 0.017 174.962 174.900 0.075 0.000 0.994 451 G CA 0.597 45.726 45.100 0.048 0.000 0.698 451 G HN 0.480 nan 8.290 nan 0.000 0.521 452 L N 0.268 121.539 121.223 0.080 0.000 2.334 452 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 452 L C -0.124 176.797 176.870 0.085 0.000 1.020 452 L CA -1.233 53.664 54.840 0.094 0.000 0.812 452 L CB 1.088 43.194 42.059 0.078 0.000 1.264 452 L HN -0.032 nan 8.230 nan 0.000 0.439 453 D N 1.397 121.849 120.400 0.087 0.000 2.351 453 D HA 0.130 4.770 4.640 -0.000 0.000 0.251 453 D C -0.440 175.826 176.300 -0.056 0.000 1.137 453 D CA -0.007 54.016 54.000 0.038 0.000 0.879 453 D CB 1.487 42.289 40.800 0.003 0.000 1.181 453 D HN 0.167 nan 8.370 nan 0.000 0.448 454 F N 2.805 122.656 119.950 -0.165 0.000 2.471 454 F HA 0.320 4.847 4.527 -0.000 0.000 0.353 454 F C -0.207 175.321 175.800 -0.453 0.000 1.113 454 F CA 0.107 57.973 58.000 -0.223 0.000 1.262 454 F CB 0.359 39.269 39.000 -0.151 0.000 1.146 454 F HN 0.207 nan 8.300 nan 0.000 0.578 455 I N 4.573 124.410 120.570 -1.222 0.000 2.722 455 I HA 0.623 4.792 4.170 -0.000 0.000 0.292 455 I C -0.250 175.261 176.117 -1.010 0.000 1.267 455 I CA -0.643 60.073 61.300 -0.974 0.000 1.036 455 I CB 1.945 39.517 38.000 -0.714 0.000 1.281 455 I HN 0.830 nan 8.210 nan 0.000 0.423 456 G N 2.878 111.351 108.800 -0.545 0.000 2.441 456 G HA2 0.702 4.662 3.960 -0.000 0.000 0.294 456 G HA3 0.702 4.662 3.960 -0.000 0.000 0.294 456 G C -1.682 173.199 174.900 -0.031 0.000 1.393 456 G CA -0.410 44.540 45.100 -0.249 0.000 0.796 456 G HN 0.454 nan 8.290 nan 0.000 0.494 457 T N 0.047 114.566 114.554 -0.059 0.000 3.097 457 T HA 0.526 4.876 4.350 -0.000 0.000 0.332 457 T C -1.354 173.278 174.700 -0.113 0.000 1.269 457 T CA -0.401 61.707 62.100 0.013 0.000 1.076 457 T CB 1.326 70.187 68.868 -0.011 0.000 1.209 457 T HN 0.404 nan 8.240 nan 0.000 0.474 458 F N 2.329 122.290 119.950 0.017 0.000 2.379 458 F HA 0.570 5.097 4.527 -0.000 0.000 0.332 458 F C 1.290 177.113 175.800 0.037 0.000 1.096 458 F CA -0.520 57.464 58.000 -0.028 0.000 1.105 458 F CB 1.386 40.322 39.000 -0.107 0.000 1.189 458 F HN 0.516 nan 8.300 nan 0.000 0.515 459 T N -0.296 114.382 114.554 0.206 0.000 2.847 459 T HA 0.551 4.900 4.350 -0.000 0.000 0.291 459 T C -0.872 173.896 174.700 0.112 0.000 0.998 459 T CA -0.853 61.329 62.100 0.137 0.000 0.967 459 T CB 0.695 69.595 68.868 0.054 0.000 0.954 459 T HN 0.279 nan 8.240 nan 0.000 0.441 460 V N 4.201 124.190 119.914 0.125 0.000 2.387 460 V HA 0.536 4.655 4.120 -0.000 0.000 0.260 460 V C 1.330 177.463 176.094 0.066 0.000 1.054 460 V CA -0.120 62.250 62.300 0.117 0.000 0.967 460 V CB 0.145 32.070 31.823 0.170 0.000 1.036 460 V HN 1.123 nan 8.190 nan 0.000 0.481 461 G N 3.800 112.630 108.800 0.050 0.000 2.543 461 G HA2 0.381 4.341 3.960 -0.000 0.000 0.290 461 G HA3 0.381 4.341 3.960 -0.000 0.000 0.290 461 G C 0.901 175.831 174.900 0.049 0.000 1.310 461 G CA -0.682 44.431 45.100 0.021 0.000 1.025 461 G HN 0.413 nan 8.290 nan 0.000 0.502 462 M N -0.427 119.196 119.600 0.039 0.000 2.084 462 M HA -0.047 4.433 4.480 -0.000 0.000 0.259 462 M C 2.309 178.636 176.300 0.045 0.000 1.072 462 M CA 1.654 56.980 55.300 0.042 0.000 1.107 462 M CB -0.719 31.900 32.600 0.032 0.000 1.299 462 M HN 0.482 nan 8.290 nan 0.000 0.413 463 R N 0.279 120.807 120.500 0.047 0.000 2.432 463 R HA 0.098 4.437 4.340 -0.000 0.000 0.260 463 R C -0.392 175.943 176.300 0.059 0.000 0.935 463 R CA 0.010 56.137 56.100 0.045 0.000 1.080 463 R CB 0.416 30.738 30.300 0.037 0.000 1.155 463 R HN 0.434 nan 8.270 nan 0.000 0.531 464 E N -0.128 120.118 120.200 0.076 0.000 2.454 464 E HA 0.455 4.804 4.350 -0.000 0.000 0.279 464 E C -1.032 175.648 176.600 0.134 0.000 1.029 464 E CA -0.855 55.605 56.400 0.100 0.000 0.831 464 E CB 0.988 30.752 29.700 0.106 0.000 1.405 464 E HN -0.131 nan 8.360 nan 0.000 0.463 465 M N 0.636 120.336 119.600 0.166 0.000 2.386 465 M HA 0.410 4.889 4.480 -0.000 0.000 0.293 465 M C -1.464 174.989 176.300 0.255 0.000 1.120 465 M CA -0.814 54.622 55.300 0.227 0.000 0.909 465 M CB 2.318 35.064 32.600 0.242 0.000 1.661 465 M HN 0.550 nan 8.290 nan 0.000 0.452 466 H N 1.581 120.667 119.070 0.028 0.000 2.705 466 H HA 0.244 4.800 4.556 -0.000 0.000 0.291 466 H C -0.633 174.708 175.328 0.020 0.000 1.085 466 H CA 0.028 56.051 56.048 -0.043 0.000 1.357 466 H CB 0.173 29.820 29.762 -0.191 0.000 1.419 466 H HN 0.330 nan 8.280 nan 0.000 0.462 467 H N 4.887 123.933 119.070 -0.040 0.000 2.652 467 H HA 0.227 4.783 4.556 -0.000 0.000 0.298 467 H C -0.447 174.774 175.328 -0.178 0.000 1.076 467 H CA -0.696 55.180 56.048 -0.287 0.000 1.360 467 H CB 0.026 29.613 29.762 -0.291 0.000 1.421 467 H HN 0.628 nan 8.280 nan 0.000 0.464 468 I N 7.060 127.735 120.570 0.176 0.000 2.361 468 I HA 0.075 4.244 4.170 -0.000 0.000 0.282 468 I C -0.038 176.148 176.117 0.115 0.000 1.075 468 I CA -0.737 60.638 61.300 0.126 0.000 1.205 468 I CB 0.988 39.019 38.000 0.051 0.000 1.406 468 I HN 0.202 nan 8.210 nan 0.000 0.481 469 V N 5.209 125.170 119.914 0.078 0.000 2.508 469 V HA 0.003 4.123 4.120 -0.000 0.000 0.281 469 V C 0.284 176.394 176.094 0.027 0.000 1.041 469 V CA -0.215 62.047 62.300 -0.063 0.000 1.016 469 V CB 0.845 32.665 31.823 -0.005 0.000 0.984 469 V HN 0.759 nan 8.190 nan 0.000 0.478 470 C N 7.320 126.533 119.300 -0.145 0.000 2.168 470 C HA 0.438 4.898 4.460 -0.000 0.000 0.333 470 C C 0.364 175.300 174.990 -0.091 0.000 1.106 470 C CA -0.838 58.149 59.018 -0.051 0.000 1.574 470 C CB -1.200 26.345 27.740 -0.325 0.000 2.055 470 C HN 0.624 nan 8.230 nan 0.000 0.473 471 I N 4.904 125.467 120.570 -0.011 0.000 2.329 471 I HA 0.133 4.303 4.170 -0.000 0.000 0.295 471 I C 0.625 176.867 176.117 0.210 0.000 1.109 471 I CA 0.525 61.851 61.300 0.044 0.000 1.297 471 I CB -0.003 38.018 38.000 0.034 0.000 1.433 471 I HN 0.530 nan 8.210 nan 0.000 0.509 472 V N 5.470 125.497 119.914 0.189 0.000 2.567 472 V HA 0.836 4.955 4.120 -0.000 0.000 0.289 472 V C -0.443 175.829 176.094 0.295 0.000 1.049 472 V CA -0.554 61.876 62.300 0.217 0.000 0.969 472 V CB 1.171 33.122 31.823 0.212 0.000 0.995 472 V HN 0.554 nan 8.190 nan 0.000 0.471 473 F N 0.828 120.802 119.950 0.040 0.000 2.703 473 F HA 0.509 5.036 4.527 -0.000 0.000 0.308 473 F C -0.879 174.923 175.800 0.004 0.000 1.126 473 F CA -1.262 56.759 58.000 0.035 0.000 0.959 473 F CB 1.523 40.536 39.000 0.021 0.000 1.297 473 F HN 0.588 nan 8.300 nan 0.000 0.441 474 N N 2.785 121.529 118.700 0.074 0.000 2.405 474 N HA 0.039 4.779 4.740 -0.000 0.000 0.260 474 N C 0.534 176.063 175.510 0.031 0.000 1.152 474 N CA -0.049 52.981 53.050 -0.033 0.000 0.948 474 N CB 1.186 39.697 38.487 0.040 0.000 1.111 474 N HN 0.942 nan 8.380 nan 0.000 0.485 475 K N 2.497 122.790 120.400 -0.180 0.000 2.664 475 K HA -0.071 4.249 4.320 -0.000 0.000 0.193 475 K C 0.412 177.103 176.600 0.151 0.000 1.028 475 K CA 1.025 57.288 56.287 -0.039 0.000 1.005 475 K CB 0.167 32.486 32.500 -0.302 0.000 0.815 475 K HN 0.455 nan 8.250 nan 0.000 0.496 476 K N 0.156 120.630 120.400 0.124 0.000 2.464 476 K HA 0.034 4.354 4.320 -0.000 0.000 0.206 476 K C -0.346 176.323 176.600 0.115 0.000 1.186 476 K CA -0.231 56.131 56.287 0.125 0.000 0.990 476 K CB 0.542 33.088 32.500 0.077 0.000 1.003 476 K HN 0.088 nan 8.250 nan 0.000 0.562 477 D N 1.850 122.323 120.400 0.122 0.000 2.338 477 D HA -0.013 4.627 4.640 -0.000 0.000 0.255 477 D C 0.777 177.145 176.300 0.113 0.000 1.237 477 D CA -0.155 53.905 54.000 0.100 0.000 0.883 477 D CB 1.300 42.160 40.800 0.100 0.000 1.087 477 D HN -0.098 nan 8.370 nan 0.000 0.485 478 L N 5.933 127.209 121.223 0.087 0.000 2.141 478 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 478 L C 1.849 178.756 176.870 0.062 0.000 1.094 478 L CA 1.225 56.114 54.840 0.082 0.000 0.763 478 L CB -0.245 41.850 42.059 0.061 0.000 0.908 478 L HN 0.505 nan 8.230 nan 0.000 0.437 479 I N -0.485 120.114 120.570 0.047 0.000 2.226 479 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 479 I C 2.501 178.635 176.117 0.028 0.000 1.100 479 I CA 1.315 62.631 61.300 0.027 0.000 1.374 479 I CB -1.237 36.773 38.000 0.016 0.000 1.057 479 I HN 0.514 nan 8.210 nan 0.000 0.413 480 Q N 1.070 120.901 119.800 0.052 0.000 2.061 480 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 480 Q C 2.229 178.239 176.000 0.016 0.000 0.984 480 Q CA 1.726 57.564 55.803 0.058 0.000 0.846 480 Q CB 0.119 28.928 28.738 0.118 0.000 0.902 480 Q HN 0.449 nan 8.270 nan 0.000 0.421 481 K N -0.030 120.387 120.400 0.028 0.000 2.020 481 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 481 K C 2.173 178.748 176.600 -0.040 0.000 1.050 481 K CA 1.665 57.916 56.287 -0.060 0.000 0.929 481 K CB -0.195 32.331 32.500 0.042 0.000 0.714 481 K HN 0.200 nan 8.250 nan 0.000 0.443 482 R N 1.196 121.706 120.500 0.017 0.000 2.105 482 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 482 R C 2.246 178.591 176.300 0.076 0.000 1.135 482 R CA 1.426 57.553 56.100 0.046 0.000 0.967 482 R CB -0.236 30.087 30.300 0.038 0.000 0.861 482 R HN 0.218 nan 8.270 nan 0.000 0.442 483 K N 0.351 120.773 120.400 0.037 0.000 2.057 483 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 483 K C 2.123 178.801 176.600 0.129 0.000 1.049 483 K CA 1.340 57.666 56.287 0.066 0.000 0.931 483 K CB -0.162 32.340 32.500 0.003 0.000 0.714 483 K HN -0.002 nan 8.250 nan 0.000 0.440 484 V N 2.061 121.972 119.914 -0.004 0.000 2.343 484 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 484 V C 2.299 178.365 176.094 -0.047 0.000 1.051 484 V CA 1.727 63.966 62.300 -0.102 0.000 1.036 484 V CB -0.507 31.080 31.823 -0.393 0.000 0.654 484 V HN 0.367 nan 8.190 nan 0.000 0.451 485 Q N -1.606 118.209 119.800 0.026 0.000 2.050 485 Q HA -0.289 4.051 4.340 -0.000 0.000 0.202 485 Q C 2.083 178.168 176.000 0.141 0.000 0.980 485 Q CA 2.278 58.161 55.803 0.134 0.000 0.840 485 Q CB -0.336 28.497 28.738 0.159 0.000 0.898 485 Q HN 0.799 nan 8.270 nan 0.000 0.424 486 W N 1.614 122.908 121.300 -0.010 0.000 2.335 486 W HA -0.259 4.400 4.660 -0.000 0.000 0.311 486 W C 1.928 178.414 176.519 -0.055 0.000 1.213 486 W CA 1.361 58.698 57.345 -0.013 0.000 1.274 486 W CB -0.382 29.067 29.460 -0.018 0.000 1.148 486 W HN 0.170 nan 8.180 nan 0.000 0.498 487 L N 0.778 122.092 121.223 0.152 0.000 1.990 487 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 487 L C 2.326 178.999 176.870 -0.329 0.000 1.072 487 L CA 2.397 57.190 54.840 -0.079 0.000 0.755 487 L CB -1.311 40.745 42.059 -0.005 0.000 0.889 487 L HN 0.025 nan 8.230 nan 0.000 0.432 488 M N -0.595 118.822 119.600 -0.305 0.000 2.065 488 M HA -0.225 4.254 4.480 -0.000 0.000 0.259 488 M C 2.475 178.563 176.300 -0.353 0.000 1.069 488 M CA 1.780 56.823 55.300 -0.430 0.000 1.110 488 M CB -1.162 30.999 32.600 -0.733 0.000 1.328 488 M HN 0.305 nan 8.290 nan 0.000 0.405 489 R N -0.843 119.512 120.500 -0.241 0.000 2.117 489 R HA -0.134 4.206 4.340 -0.000 0.000 0.243 489 R C 2.182 178.313 176.300 -0.280 0.000 1.143 489 R CA 1.945 57.950 56.100 -0.159 0.000 0.968 489 R CB -0.616 29.664 30.300 -0.034 0.000 0.863 489 R HN 0.433 nan 8.270 nan 0.000 0.444 490 T N 1.348 115.589 114.554 -0.523 0.000 2.732 490 T HA -0.054 4.296 4.350 -0.000 0.000 0.261 490 T C 1.902 176.386 174.700 -0.360 0.000 1.040 490 T CA 0.926 62.690 62.100 -0.561 0.000 1.145 490 T CB -0.186 68.058 68.868 -1.039 0.000 0.866 490 T HN 0.109 nan 8.240 nan 0.000 0.427 491 L N 0.533 121.498 121.223 -0.430 0.000 2.043 491 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 491 L C 2.517 179.298 176.870 -0.149 0.000 1.075 491 L CA 1.330 55.901 54.840 -0.449 0.000 0.752 491 L CB -0.725 40.681 42.059 -1.088 0.000 0.891 491 L HN 0.283 nan 8.230 nan 0.000 0.432 492 I N -0.193 120.356 120.570 -0.036 0.000 2.163 492 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 492 I C 2.150 178.326 176.117 0.100 0.000 1.085 492 I CA 1.418 62.829 61.300 0.185 0.000 1.347 492 I CB -0.496 37.590 38.000 0.143 0.000 1.044 492 I HN 0.302 nan 8.210 nan 0.000 0.408 493 D N 0.822 121.229 120.400 0.010 0.000 2.117 493 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 493 D C 1.792 178.101 176.300 0.016 0.000 0.987 493 D CA 1.209 55.211 54.000 0.003 0.000 0.829 493 D CB -0.407 40.373 40.800 -0.034 0.000 0.961 493 D HN 0.322 nan 8.370 nan 0.000 0.460 494 D N 0.087 120.492 120.400 0.009 0.000 2.084 494 D HA -0.101 4.538 4.640 -0.000 0.000 0.194 494 D C 2.239 178.620 176.300 0.135 0.000 0.990 494 D CA 0.698 54.725 54.000 0.046 0.000 0.826 494 D CB -0.656 40.160 40.800 0.027 0.000 0.971 494 D HN 0.218 nan 8.370 nan 0.000 0.453 495 C N 1.304 120.756 119.300 0.253 0.000 2.419 495 C HA 0.018 4.477 4.460 -0.000 0.000 0.281 495 C C 2.848 177.974 174.990 0.228 0.000 1.336 495 C CA 0.433 59.732 59.018 0.468 0.000 1.770 495 C CB -1.083 27.013 27.740 0.594 0.000 1.929 495 C HN 0.340 nan 8.230 nan 0.000 0.509 496 A N 0.937 123.826 122.820 0.115 0.000 1.855 496 A HA 0.128 4.448 4.320 -0.000 0.000 0.215 496 A C 2.305 179.860 177.584 -0.048 0.000 1.191 496 A CA 1.732 53.775 52.037 0.010 0.000 0.613 496 A CB -1.036 17.961 19.000 -0.005 0.000 0.829 496 A HN 0.590 nan 8.150 nan 0.000 0.442 497 A N -0.587 122.212 122.820 -0.034 0.000 2.292 497 A HA -0.059 4.260 4.320 -0.000 0.000 0.209 497 A C 0.933 178.436 177.584 -0.135 0.000 1.209 497 A CA 1.195 53.194 52.037 -0.064 0.000 0.746 497 A CB -0.826 18.153 19.000 -0.035 0.000 0.764 497 A HN 0.719 nan 8.150 nan 0.000 0.492 498 N N -1.919 116.638 118.700 -0.238 0.000 2.390 498 N HA 0.315 5.055 4.740 -0.000 0.000 0.259 498 N C 0.710 175.769 175.510 -0.750 0.000 1.395 498 N CA 0.177 52.928 53.050 -0.499 0.000 0.852 498 N CB 0.876 38.908 38.487 -0.758 0.000 1.371 498 N HN 0.424 nan 8.380 nan 0.000 0.491 499 G N 0.653 109.199 108.800 -0.423 0.000 2.184 499 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 499 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 499 G C -0.394 174.357 174.900 -0.249 0.000 0.975 499 G CA -0.145 44.748 45.100 -0.345 0.000 0.642 499 G HN 0.320 nan 8.290 nan 0.000 0.536 500 W N 1.092 122.392 121.300 -0.000 0.000 2.361 500 W HA 0.670 5.330 4.660 -0.000 0.000 0.309 500 W C 0.759 177.254 176.519 -0.039 0.000 1.122 500 W CA -0.754 56.594 57.345 0.005 0.000 1.208 500 W CB 0.960 30.453 29.460 0.056 0.000 1.246 500 W HN 0.351 nan 8.180 nan 0.000 0.490 501 G N 1.959 110.872 108.800 0.189 0.000 2.531 501 G HA2 0.574 4.534 3.960 -0.000 0.000 0.313 501 G HA3 0.574 4.534 3.960 -0.000 0.000 0.313 501 G C -1.291 173.662 174.900 0.088 0.000 1.238 501 G CA -0.487 44.654 45.100 0.068 0.000 0.994 501 G HN 0.289 nan 8.290 nan 0.000 0.493 502 E N -1.429 118.850 120.200 0.132 0.000 2.256 502 E HA 0.283 4.633 4.350 -0.000 0.000 0.268 502 E C -0.393 176.287 176.600 0.135 0.000 0.877 502 E CA -0.748 55.673 56.400 0.034 0.000 0.757 502 E CB 1.761 31.412 29.700 -0.081 0.000 1.183 502 E HN 0.541 nan 8.360 nan 0.000 0.418 503 Y N 2.160 122.407 120.300 -0.089 0.000 2.546 503 Y HA 0.386 4.936 4.550 -0.000 0.000 0.287 503 Y C -0.088 175.765 175.900 -0.079 0.000 1.158 503 Y CA 0.138 58.181 58.100 -0.095 0.000 1.307 503 Y CB 0.533 38.886 38.460 -0.179 0.000 1.036 503 Y HN 0.267 nan 8.280 nan 0.000 0.532 504 R N -0.487 119.705 120.500 -0.514 0.000 2.753 504 R HA 0.488 4.828 4.340 -0.000 0.000 0.272 504 R C -1.336 174.901 176.300 -0.105 0.000 1.034 504 R CA 0.031 55.794 56.100 -0.561 0.000 0.869 504 R CB 1.499 31.096 30.300 -1.172 0.000 1.264 504 R HN 0.263 nan 8.270 nan 0.000 0.481 505 T N -2.803 111.776 114.554 0.041 0.000 2.718 505 T HA 0.267 4.617 4.350 -0.000 0.000 0.306 505 T C -1.101 173.892 174.700 0.488 0.000 1.485 505 T CA -0.962 61.372 62.100 0.390 0.000 0.997 505 T CB 1.319 70.375 68.868 0.313 0.000 1.504 505 T HN 0.582 nan 8.240 nan 0.000 0.497 506 H N 0.256 119.606 119.070 0.465 0.000 2.607 506 H HA 0.373 4.929 4.556 -0.000 0.000 0.367 506 H C 1.238 176.715 175.328 0.248 0.000 1.181 506 H CA -0.363 55.913 56.048 0.380 0.000 1.402 506 H CB 0.905 30.926 29.762 0.432 0.000 1.474 506 H HN 0.637 nan 8.280 nan 0.000 0.596 507 L N 2.773 123.924 121.223 -0.119 0.000 2.021 507 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 507 L C 2.535 179.397 176.870 -0.013 0.000 1.074 507 L CA 1.744 56.463 54.840 -0.201 0.000 0.760 507 L CB -0.688 40.882 42.059 -0.816 0.000 0.889 507 L HN 0.696 nan 8.230 nan 0.000 0.433 508 A N -1.371 121.555 122.820 0.177 0.000 2.259 508 A HA -0.077 4.243 4.320 -0.000 0.000 0.212 508 A C 1.087 178.139 177.584 -0.888 0.000 1.178 508 A CA 1.078 52.864 52.037 -0.419 0.000 0.734 508 A CB -0.563 17.993 19.000 -0.741 0.000 0.774 508 A HN 0.501 nan 8.150 nan 0.000 0.481 509 F N -2.887 117.197 119.950 0.224 0.000 2.936 509 F HA 0.273 4.800 4.527 -0.000 0.000 0.334 509 F C 1.525 177.432 175.800 0.178 0.000 1.170 509 F CA -0.324 57.787 58.000 0.184 0.000 1.104 509 F CB -0.416 38.686 39.000 0.171 0.000 1.216 509 F HN 0.034 nan 8.300 nan 0.000 0.518 510 M N -0.060 119.704 119.600 0.273 0.000 2.159 510 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 510 M C 1.461 177.896 176.300 0.224 0.000 1.063 510 M CA 1.587 57.009 55.300 0.203 0.000 1.110 510 M CB -0.342 32.320 32.600 0.102 0.000 1.374 510 M HN 0.027 nan 8.290 nan 0.000 0.411 511 D N 0.402 120.954 120.400 0.253 0.000 2.097 511 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 511 D C 1.961 178.422 176.300 0.268 0.000 0.989 511 D CA 1.385 55.563 54.000 0.296 0.000 0.827 511 D CB -0.414 40.595 40.800 0.349 0.000 0.966 511 D HN 0.478 nan 8.370 nan 0.000 0.456 512 Q N 0.342 120.299 119.800 0.261 0.000 2.050 512 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 512 Q C 2.426 178.565 176.000 0.232 0.000 0.980 512 Q CA 1.064 57.010 55.803 0.238 0.000 0.840 512 Q CB -0.120 28.775 28.738 0.261 0.000 0.898 512 Q HN 0.266 nan 8.270 nan 0.000 0.424 513 I N 0.314 121.042 120.570 0.263 0.000 2.208 513 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 513 I C 2.496 178.814 176.117 0.335 0.000 1.097 513 I CA 1.053 62.513 61.300 0.265 0.000 1.363 513 I CB -0.228 37.931 38.000 0.265 0.000 1.051 513 I HN 0.427 nan 8.210 nan 0.000 0.413 514 M N 0.768 120.555 119.600 0.313 0.000 2.213 514 M HA -0.198 4.281 4.480 -0.000 0.000 0.263 514 M C 1.985 178.490 176.300 0.342 0.000 1.062 514 M CA 1.782 57.293 55.300 0.351 0.000 1.105 514 M CB -0.504 32.257 32.600 0.269 0.000 1.385 514 M HN 0.043 nan 8.290 nan 0.000 0.417 515 E N -0.405 119.949 120.200 0.256 0.000 2.265 515 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 515 E C 1.941 178.624 176.600 0.138 0.000 0.996 515 E CA 1.658 58.176 56.400 0.197 0.000 0.832 515 E CB -0.484 29.313 29.700 0.162 0.000 0.756 515 E HN 0.800 nan 8.360 nan 0.000 0.491 516 T N -2.184 112.423 114.554 0.089 0.000 2.904 516 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 516 T C 1.538 176.147 174.700 -0.150 0.000 1.059 516 T CA 0.590 62.644 62.100 -0.077 0.000 1.137 516 T CB -0.541 68.209 68.868 -0.197 0.000 0.879 516 T HN 0.096 nan 8.240 nan 0.000 0.467 517 Y N 3.484 123.830 120.300 0.077 0.000 2.506 517 Y HA 0.174 4.724 4.550 -0.000 0.000 0.335 517 Y C 1.605 177.576 175.900 0.118 0.000 1.218 517 Y CA -0.406 57.721 58.100 0.045 0.000 1.260 517 Y CB -0.992 37.438 38.460 -0.049 0.000 1.085 517 Y HN 0.424 nan 8.280 nan 0.000 0.495 518 N N -0.826 117.993 118.700 0.199 0.000 2.535 518 N HA -0.186 4.554 4.740 -0.000 0.000 0.203 518 N C -0.017 175.607 175.510 0.190 0.000 1.301 518 N CA -0.253 52.911 53.050 0.190 0.000 0.859 518 N CB -0.703 37.858 38.487 0.123 0.000 1.055 518 N HN 0.427 nan 8.380 nan 0.000 0.457 519 W N 2.205 123.544 121.300 0.065 0.000 2.293 519 W HA 0.040 4.700 4.660 -0.000 0.000 0.342 519 W C 0.847 177.402 176.519 0.060 0.000 1.274 519 W CA 0.954 58.326 57.345 0.045 0.000 1.290 519 W CB -0.099 29.379 29.460 0.030 0.000 1.176 519 W HN 0.512 nan 8.180 nan 0.000 0.570 520 N N 4.593 122.704 118.700 -0.982 0.000 2.740 520 N HA -0.326 4.414 4.740 -0.000 0.000 0.248 520 N C -0.333 174.970 175.510 -0.345 0.000 1.062 520 N CA 0.789 53.279 53.050 -0.933 0.000 0.704 520 N CB -1.291 36.366 38.487 -1.383 0.000 0.968 520 N HN 0.800 nan 8.380 nan 0.000 0.547 521 N N -0.814 117.766 118.700 -0.200 0.000 2.816 521 N HA -0.152 4.588 4.740 -0.000 0.000 0.247 521 N C -0.175 175.338 175.510 0.005 0.000 1.100 521 N CA 1.324 54.326 53.050 -0.080 0.000 0.687 521 N CB -1.673 36.759 38.487 -0.092 0.000 1.003 521 N HN 0.555 nan 8.380 nan 0.000 0.554 522 S N -2.578 113.162 115.700 0.067 0.000 3.476 522 S HA -0.268 4.202 4.470 -0.000 0.000 0.309 522 S C 1.383 176.092 174.600 0.182 0.000 1.222 522 S CA 1.261 59.551 58.200 0.150 0.000 0.922 522 S CB -1.385 61.889 63.200 0.123 0.000 1.023 522 S HN 0.761 nan 8.310 nan 0.000 0.591 523 S N -0.038 115.760 115.700 0.163 0.000 2.392 523 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 523 S C 1.308 176.074 174.600 0.277 0.000 1.041 523 S CA 2.022 60.332 58.200 0.184 0.000 1.026 523 S CB -0.337 62.964 63.200 0.169 0.000 0.845 523 S HN 0.667 nan 8.310 nan 0.000 0.465 524 F N 1.427 121.490 119.950 0.188 0.000 2.146 524 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 524 F C 1.828 177.741 175.800 0.188 0.000 1.096 524 F CA 1.487 59.602 58.000 0.191 0.000 1.275 524 F CB -0.514 38.592 39.000 0.177 0.000 1.008 524 F HN 0.323 nan 8.300 nan 0.000 0.480 525 L N 0.858 122.234 121.223 0.255 0.000 2.093 525 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 525 L C 2.383 179.286 176.870 0.055 0.000 1.085 525 L CA 1.550 56.462 54.840 0.120 0.000 0.755 525 L CB -0.762 41.424 42.059 0.211 0.000 0.904 525 L HN -0.032 nan 8.230 nan 0.000 0.435 526 R N -0.876 119.684 120.500 0.099 0.000 2.081 526 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 526 R C 2.248 178.589 176.300 0.069 0.000 1.131 526 R CA 1.721 57.869 56.100 0.079 0.000 0.960 526 R CB -1.382 28.974 30.300 0.093 0.000 0.856 526 R HN 0.443 nan 8.270 nan 0.000 0.436 527 F N 2.730 122.637 119.950 -0.071 0.000 2.171 527 F HA -0.111 4.415 4.527 -0.000 0.000 0.300 527 F C 1.847 177.553 175.800 -0.156 0.000 1.090 527 F CA 1.072 59.011 58.000 -0.101 0.000 1.293 527 F CB -0.234 38.699 39.000 -0.112 0.000 1.013 527 F HN -0.031 nan 8.300 nan 0.000 0.486 528 N N 0.782 119.313 118.700 -0.283 0.000 2.080 528 N HA -0.178 4.562 4.740 -0.000 0.000 0.189 528 N C 1.742 177.081 175.510 -0.286 0.000 1.036 528 N CA 1.797 54.613 53.050 -0.389 0.000 0.846 528 N CB -0.515 37.755 38.487 -0.361 0.000 1.015 528 N HN 0.478 nan 8.380 nan 0.000 0.423 529 E N 0.695 120.808 120.200 -0.144 0.000 2.171 529 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 529 E C 2.045 178.585 176.600 -0.100 0.000 0.997 529 E CA 0.805 57.166 56.400 -0.065 0.000 0.810 529 E CB -0.002 29.726 29.700 0.047 0.000 0.738 529 E HN 0.131 nan 8.360 nan 0.000 0.467 530 V N 1.516 121.339 119.914 -0.153 0.000 2.295 530 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 530 V C 2.311 178.277 176.094 -0.213 0.000 1.049 530 V CA 1.487 63.696 62.300 -0.152 0.000 1.024 530 V CB -0.477 31.243 31.823 -0.172 0.000 0.648 530 V HN 0.270 nan 8.190 nan 0.000 0.447 531 L N -0.107 120.899 121.223 -0.360 0.000 2.046 531 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 531 L C 2.604 179.344 176.870 -0.217 0.000 1.077 531 L CA 1.740 56.379 54.840 -0.336 0.000 0.747 531 L CB -0.708 41.063 42.059 -0.480 0.000 0.896 531 L HN 0.319 nan 8.230 nan 0.000 0.432 532 K N 1.059 121.338 120.400 -0.202 0.000 1.987 532 K HA -0.194 4.125 4.320 -0.000 0.000 0.216 532 K C 1.835 178.383 176.600 -0.086 0.000 1.051 532 K CA 1.860 58.063 56.287 -0.140 0.000 0.942 532 K CB -0.364 32.064 32.500 -0.120 0.000 0.722 532 K HN 0.191 nan 8.250 nan 0.000 0.444 533 N N 0.318 118.983 118.700 -0.059 0.000 2.223 533 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 533 N C 1.629 177.120 175.510 -0.032 0.000 1.016 533 N CA 1.289 54.325 53.050 -0.024 0.000 0.863 533 N CB -0.318 38.173 38.487 0.005 0.000 0.983 533 N HN 0.395 nan 8.380 nan 0.000 0.429 534 A N 0.697 123.483 122.820 -0.057 0.000 1.933 534 A HA -0.065 4.254 4.320 -0.000 0.000 0.218 534 A C 2.454 180.014 177.584 -0.039 0.000 1.175 534 A CA 1.203 53.211 52.037 -0.049 0.000 0.628 534 A CB -0.527 18.430 19.000 -0.072 0.000 0.814 534 A HN 0.122 nan 8.150 nan 0.000 0.444 535 V N -0.205 119.678 119.914 -0.052 0.000 2.788 535 V HA 0.001 4.121 4.120 -0.000 0.000 0.251 535 V C 0.415 176.497 176.094 -0.019 0.000 1.068 535 V CA 1.618 63.897 62.300 -0.035 0.000 1.090 535 V CB -0.238 31.554 31.823 -0.052 0.000 0.710 535 V HN 0.647 nan 8.190 nan 0.000 0.467 536 D N -1.485 118.903 120.400 -0.021 0.000 2.330 536 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 536 D C -2.180 174.123 176.300 0.004 0.000 1.306 536 D CA -1.673 52.323 54.000 -0.006 0.000 0.956 536 D CB 1.991 42.781 40.800 -0.017 0.000 1.261 536 D HN -0.030 nan 8.370 nan 0.000 0.544 537 P HA -0.040 nan 4.420 nan 0.000 0.216 537 P C 0.764 178.086 177.300 0.036 0.000 1.153 537 P CA 0.818 63.929 63.100 0.019 0.000 0.848 537 P CB 0.336 32.044 31.700 0.014 0.000 0.787 538 N N -1.274 117.450 118.700 0.040 0.000 2.461 538 N HA 0.047 4.786 4.740 -0.000 0.000 0.188 538 N C 1.128 176.693 175.510 0.091 0.000 1.134 538 N CA 1.051 54.137 53.050 0.059 0.000 0.878 538 N CB -0.621 37.897 38.487 0.052 0.000 0.972 538 N HN 0.087 nan 8.380 nan 0.000 0.456 539 G N 1.436 110.280 108.800 0.073 0.000 2.321 539 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.287 539 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.287 539 G C 0.931 175.866 174.900 0.058 0.000 1.018 539 G CA 0.076 45.218 45.100 0.069 0.000 0.855 539 G HN 0.275 nan 8.290 nan 0.000 0.507 540 I N -0.133 120.472 120.570 0.057 0.000 2.394 540 I HA 0.026 4.196 4.170 -0.000 0.000 0.251 540 I C 1.861 178.006 176.117 0.047 0.000 1.136 540 I CA 0.916 62.259 61.300 0.073 0.000 1.425 540 I CB -0.484 37.562 38.000 0.076 0.000 1.079 540 I HN 0.322 nan 8.210 nan 0.000 0.425 541 I N 1.383 121.952 120.570 -0.002 0.000 2.312 541 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 541 I C 1.106 177.167 176.117 -0.093 0.000 1.031 541 I CA -0.457 60.820 61.300 -0.039 0.000 1.293 541 I CB 0.886 38.850 38.000 -0.061 0.000 1.403 541 I HN 0.149 nan 8.210 nan 0.000 0.484 542 A N 6.964 129.750 122.820 -0.055 0.000 2.500 542 A HA -0.155 4.165 4.320 -0.000 0.000 0.296 542 A C -2.040 175.474 177.584 -0.118 0.000 1.469 542 A CA -0.260 51.760 52.037 -0.029 0.000 0.793 542 A CB -1.902 16.826 19.000 -0.453 0.000 1.042 542 A HN 0.551 nan 8.150 nan 0.000 0.409 543 P HA 0.292 nan 4.420 nan 0.000 0.266 543 P C 1.227 178.056 177.300 -0.784 0.000 1.195 543 P CA 1.523 64.305 63.100 -0.529 0.000 0.768 543 P CB 0.687 31.932 31.700 -0.759 0.000 0.838 544 G N 1.413 109.427 108.800 -1.310 0.000 2.241 544 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 544 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 544 G C 0.286 174.749 174.900 -0.729 0.000 0.998 544 G CA 0.284 44.277 45.100 -1.845 0.000 0.621 544 G HN 0.748 nan 8.290 nan 0.000 0.519 545 K N 1.559 121.744 120.400 -0.358 0.000 2.472 545 K HA 0.455 4.775 4.320 -0.000 0.000 0.280 545 K C 1.242 177.705 176.600 -0.227 0.000 1.028 545 K CA 1.183 57.367 56.287 -0.172 0.000 1.045 545 K CB -0.029 32.311 32.500 -0.268 0.000 0.902 545 K HN 0.863 nan 8.250 nan 0.000 0.478 546 S N 2.775 118.393 115.700 -0.137 0.000 3.382 546 S HA -0.184 4.286 4.470 -0.000 0.000 0.293 546 S C 0.921 175.480 174.600 -0.069 0.000 1.262 546 S CA 1.132 59.276 58.200 -0.093 0.000 0.969 546 S CB -2.059 61.071 63.200 -0.117 0.000 1.136 546 S HN 1.353 nan 8.310 nan 0.000 0.635 547 G N -1.184 107.528 108.800 -0.146 0.000 2.179 547 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.260 547 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.260 547 G C 0.076 174.852 174.900 -0.205 0.000 0.977 547 G CA 0.031 45.081 45.100 -0.082 0.000 0.641 547 G HN 1.328 nan 8.290 nan 0.000 0.533 548 V N 0.712 120.440 119.914 -0.311 0.000 2.427 548 V HA 0.488 4.608 4.120 -0.000 0.000 0.268 548 V C 0.308 176.157 176.094 -0.408 0.000 1.046 548 V CA -0.163 62.001 62.300 -0.227 0.000 0.970 548 V CB 0.153 31.862 31.823 -0.190 0.000 1.001 548 V HN 0.290 nan 8.190 nan 0.000 0.476 549 W N 6.393 127.665 121.300 -0.045 0.000 2.520 549 W HA 0.530 5.190 4.660 -0.000 0.000 0.323 549 W C -2.261 174.211 176.519 -0.078 0.000 1.062 549 W CA -2.257 54.994 57.345 -0.158 0.000 1.215 549 W CB 0.949 30.207 29.460 -0.336 0.000 1.340 549 W HN 0.344 nan 8.180 nan 0.000 0.516 550 P HA 0.041 nan 4.420 nan 0.000 0.276 550 P C 0.885 178.333 177.300 0.247 0.000 1.244 550 P CA -0.104 63.088 63.100 0.153 0.000 0.801 550 P CB 1.059 32.838 31.700 0.132 0.000 1.006 551 S N 0.375 116.189 115.700 0.190 0.000 2.462 551 S HA -0.271 4.199 4.470 -0.000 0.000 0.243 551 S C 1.413 176.116 174.600 0.172 0.000 1.003 551 S CA 1.363 59.672 58.200 0.183 0.000 0.970 551 S CB -0.862 62.411 63.200 0.121 0.000 0.762 551 S HN 0.359 nan 8.310 nan 0.000 0.510 552 Q N 0.293 120.208 119.800 0.192 0.000 2.123 552 Q HA 0.172 4.512 4.340 -0.000 0.000 0.199 552 Q C -0.245 175.739 176.000 -0.026 0.000 0.966 552 Q CA 0.812 56.658 55.803 0.072 0.000 0.845 552 Q CB -0.457 28.295 28.738 0.024 0.000 0.907 552 Q HN 0.731 nan 8.270 nan 0.000 0.439 553 Y N 1.231 121.549 120.300 0.030 0.000 2.436 553 Y HA 0.220 4.770 4.550 -0.000 0.000 0.343 553 Y C 0.395 176.333 175.900 0.063 0.000 1.008 553 Y CA -1.118 56.990 58.100 0.013 0.000 1.241 553 Y CB 0.511 38.801 38.460 -0.284 0.000 1.153 553 Y HN -0.085 nan 8.280 nan 0.000 0.521 554 S N 1.457 117.310 115.700 0.255 0.000 2.531 554 S HA 0.056 4.525 4.470 -0.000 0.000 0.279 554 S C 0.504 175.130 174.600 0.043 0.000 1.305 554 S CA -0.627 57.657 58.200 0.139 0.000 1.058 554 S CB 0.460 63.701 63.200 0.068 0.000 0.899 554 S HN 0.749 nan 8.310 nan 0.000 0.493 555 H N 2.257 121.320 119.070 -0.011 0.000 2.457 555 H HA -0.029 4.526 4.556 -0.000 0.000 0.297 555 H C 1.756 177.026 175.328 -0.097 0.000 1.092 555 H CA 1.504 57.496 56.048 -0.093 0.000 1.309 555 H CB -0.335 29.424 29.762 -0.005 0.000 1.382 555 H HN 0.472 nan 8.280 nan 0.000 0.535 556 V N -0.213 119.720 119.914 0.033 0.000 2.307 556 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 556 V C 2.192 178.203 176.094 -0.138 0.000 1.045 556 V CA 2.304 64.584 62.300 -0.033 0.000 1.024 556 V CB -0.551 31.252 31.823 -0.034 0.000 0.651 556 V HN 0.505 nan 8.190 nan 0.000 0.449 557 T N -1.335 113.077 114.554 -0.236 0.000 2.812 557 T HA -0.164 4.186 4.350 -0.000 0.000 0.264 557 T C 1.523 175.818 174.700 -0.673 0.000 1.042 557 T CA 1.636 63.441 62.100 -0.491 0.000 1.140 557 T CB -0.299 68.183 68.868 -0.644 0.000 0.870 557 T HN 0.601 nan 8.240 nan 0.000 0.445 558 W N 1.713 122.805 121.300 -0.347 0.000 2.481 558 W HA 0.252 4.911 4.660 -0.000 0.000 0.293 558 W C 1.196 177.455 176.519 -0.433 0.000 1.201 558 W CA -0.423 56.575 57.345 -0.577 0.000 1.328 558 W CB -0.188 28.531 29.460 -1.235 0.000 1.112 558 W HN -0.012 nan 8.180 nan 0.000 0.546 559 K N 1.087 121.381 120.400 -0.177 0.000 2.323 559 K HA 0.214 4.533 4.320 -0.000 0.000 0.259 559 K C -0.088 176.599 176.600 0.144 0.000 0.993 559 K CA 0.439 56.774 56.287 0.080 0.000 0.866 559 K CB 0.290 32.868 32.500 0.131 0.000 0.997 559 K HN 0.031 nan 8.250 nan 0.000 0.524 560 L N 0.000 121.340 121.223 0.195 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 560 L CA 0.000 54.930 54.840 0.149 0.000 0.813 560 L CB 0.000 42.173 42.059 0.189 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502