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 1e8g_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPTHVMD 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 GIWLMPNPGG 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 0.000 176.691 176.600 0.152 0.000 1.382 6 E CA 0.000 56.330 56.400 -0.116 0.000 0.976 6 E CB 0.000 29.774 29.700 0.124 0.000 0.812 7 F N 0.417 120.464 119.950 0.161 0.000 2.262 7 F HA 0.302 4.829 4.527 -0.001 0.000 0.292 7 F C 1.365 177.256 175.800 0.152 0.000 1.081 7 F CA 0.487 58.592 58.000 0.174 0.000 1.355 7 F CB 0.286 39.340 39.000 0.091 0.000 1.069 7 F HN 0.411 nan 8.300 nan 0.000 0.506 8 R N 1.502 122.157 120.500 0.258 0.000 2.467 8 R HA 0.358 4.697 4.340 -0.001 0.000 0.299 8 R C -2.918 173.370 176.300 -0.020 0.000 1.120 8 R CA -1.919 54.217 56.100 0.060 0.000 0.940 8 R CB 0.843 31.159 30.300 0.027 0.000 1.161 8 R HN -0.078 nan 8.270 nan 0.000 0.506 9 P HA 0.123 nan 4.420 nan 0.000 0.281 9 P C 0.514 177.732 177.300 -0.137 0.000 1.249 9 P CA -0.545 62.448 63.100 -0.179 0.000 0.810 9 P CB 1.210 32.639 31.700 -0.452 0.000 1.008 10 L N 0.325 121.504 121.223 -0.073 0.000 2.042 10 L HA -0.062 4.277 4.340 -0.001 0.000 0.210 10 L C 0.955 177.777 176.870 -0.080 0.000 1.076 10 L CA 1.702 56.504 54.840 -0.064 0.000 0.749 10 L CB -0.647 41.388 42.059 -0.040 0.000 0.893 10 L HN 0.448 nan 8.230 nan 0.000 0.432 11 T N 0.023 114.528 114.554 -0.081 0.000 2.886 11 T HA 0.554 4.903 4.350 -0.001 0.000 0.292 11 T C -0.511 174.125 174.700 -0.107 0.000 1.012 11 T CA -0.503 61.553 62.100 -0.073 0.000 0.982 11 T CB 2.445 71.300 68.868 -0.021 0.000 1.018 11 T HN -0.116 nan 8.240 nan 0.000 0.451 12 L N 4.414 125.564 121.223 -0.121 0.000 2.334 12 L HA 0.525 4.865 4.340 -0.001 0.000 0.275 12 L C -1.889 174.924 176.870 -0.094 0.000 1.036 12 L CA -2.404 52.344 54.840 -0.153 0.000 0.807 12 L CB 1.367 43.327 42.059 -0.164 0.000 1.231 12 L HN 0.371 nan 8.230 nan 0.000 0.438 13 P HA 0.146 nan 4.420 nan 0.000 0.270 13 P C -2.620 174.619 177.300 -0.101 0.000 1.223 13 P CA -1.371 61.623 63.100 -0.178 0.000 0.785 13 P CB -0.517 30.835 31.700 -0.580 0.000 0.923 14 P HA -0.017 nan 4.420 nan 0.000 0.262 14 P C 0.153 177.422 177.300 -0.051 0.000 1.182 14 P CA 0.586 63.718 63.100 0.053 0.000 0.761 14 P CB -0.120 31.655 31.700 0.125 0.000 0.795 15 K N -1.052 119.327 120.400 -0.034 0.000 3.426 15 K HA -0.230 4.090 4.320 -0.001 0.000 0.315 15 K C 0.197 176.771 176.600 -0.043 0.000 1.293 15 K CA 0.661 56.923 56.287 -0.041 0.000 0.955 15 K CB -1.840 30.631 32.500 -0.048 0.000 1.238 15 K HN 0.294 nan 8.250 nan 0.000 0.441 16 L N 1.178 122.356 121.223 -0.075 0.000 2.307 16 L HA 0.327 4.667 4.340 -0.001 0.000 0.282 16 L C 0.475 177.343 176.870 -0.005 0.000 1.051 16 L CA -0.048 54.760 54.840 -0.053 0.000 0.804 16 L CB 1.320 43.271 42.059 -0.180 0.000 1.197 16 L HN 0.196 nan 8.230 nan 0.000 0.431 17 S N 3.863 119.594 115.700 0.053 0.000 2.617 17 S HA 0.156 4.625 4.470 -0.001 0.000 0.269 17 S C 0.957 175.625 174.600 0.113 0.000 1.292 17 S CA -0.545 57.695 58.200 0.067 0.000 1.010 17 S CB 1.050 64.299 63.200 0.081 0.000 0.944 17 S HN 0.769 nan 8.310 nan 0.000 0.536 18 L N 2.166 123.447 121.223 0.096 0.000 2.083 18 L HA -0.009 4.330 4.340 -0.001 0.000 0.209 18 L C 2.665 179.661 176.870 0.209 0.000 1.083 18 L CA 2.194 57.116 54.840 0.136 0.000 0.752 18 L CB -1.275 40.830 42.059 0.077 0.000 0.899 18 L HN 0.946 nan 8.230 nan 0.000 0.433 19 S N -1.059 114.738 115.700 0.161 0.000 2.383 19 S HA -0.163 4.306 4.470 -0.001 0.000 0.227 19 S C 1.648 176.366 174.600 0.196 0.000 1.026 19 S CA 1.332 59.631 58.200 0.164 0.000 0.981 19 S CB -0.319 62.958 63.200 0.129 0.000 0.818 19 S HN 0.560 nan 8.310 nan 0.000 0.472 20 D N 0.294 120.827 120.400 0.221 0.000 2.144 20 D HA -0.046 4.593 4.640 -0.001 0.000 0.200 20 D C 1.539 177.942 176.300 0.171 0.000 0.978 20 D CA 0.702 54.867 54.000 0.274 0.000 0.833 20 D CB -0.494 40.523 40.800 0.362 0.000 0.961 20 D HN 0.459 nan 8.370 nan 0.000 0.470 21 F N 2.234 122.240 119.950 0.094 0.000 2.065 21 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 21 F C 2.002 177.890 175.800 0.146 0.000 1.112 21 F CA 1.473 59.562 58.000 0.148 0.000 1.212 21 F CB -0.232 38.852 39.000 0.140 0.000 0.975 21 F HN -0.108 nan 8.300 nan 0.000 0.476 22 N N 0.274 119.112 118.700 0.230 0.000 2.120 22 N HA -0.230 4.510 4.740 -0.001 0.000 0.188 22 N C 1.990 177.485 175.510 -0.025 0.000 1.024 22 N CA 1.575 54.684 53.050 0.097 0.000 0.852 22 N CB -0.517 38.074 38.487 0.174 0.000 1.003 22 N HN 0.538 nan 8.380 nan 0.000 0.424 23 E N 0.323 120.533 120.200 0.015 0.000 2.031 23 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 23 E C 1.932 178.432 176.600 -0.168 0.000 0.994 23 E CA 0.847 57.245 56.400 -0.003 0.000 0.800 23 E CB -0.178 29.616 29.700 0.156 0.000 0.752 23 E HN 0.241 nan 8.360 nan 0.000 0.447 24 F N 1.102 120.688 119.950 -0.607 0.000 2.043 24 F HA -0.272 4.255 4.527 -0.001 0.000 0.297 24 F C 2.105 177.591 175.800 -0.523 0.000 1.121 24 F CA 1.425 58.944 58.000 -0.801 0.000 1.199 24 F CB -0.311 38.109 39.000 -0.965 0.000 0.968 24 F HN 0.069 nan 8.300 nan 0.000 0.478 25 I N 0.798 121.133 120.570 -0.392 0.000 2.264 25 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 25 I C 2.384 178.301 176.117 -0.333 0.000 1.111 25 I CA 1.245 62.283 61.300 -0.437 0.000 1.382 25 I CB -1.272 36.445 38.000 -0.471 0.000 1.060 25 I HN 0.301 nan 8.210 nan 0.000 0.418 26 Q N 0.191 119.842 119.800 -0.249 0.000 2.084 26 Q HA -0.193 4.147 4.340 -0.001 0.000 0.202 26 Q C 1.936 177.820 176.000 -0.193 0.000 0.978 26 Q CA 1.476 57.169 55.803 -0.183 0.000 0.844 26 Q CB -0.494 28.170 28.738 -0.124 0.000 0.898 26 Q HN 0.500 nan 8.270 nan 0.000 0.426 27 D N 0.204 120.467 120.400 -0.230 0.000 2.104 27 D HA -0.119 4.521 4.640 -0.001 0.000 0.194 27 D C 2.053 178.189 176.300 -0.273 0.000 0.994 27 D CA 0.838 54.708 54.000 -0.216 0.000 0.830 27 D CB -0.178 40.498 40.800 -0.207 0.000 0.959 27 D HN 0.266 nan 8.370 nan 0.000 0.452 28 I N 0.662 120.983 120.570 -0.415 0.000 2.179 28 I HA -0.220 3.950 4.170 -0.001 0.000 0.242 28 I C 2.463 178.433 176.117 -0.244 0.000 1.088 28 I CA 0.719 61.788 61.300 -0.384 0.000 1.357 28 I CB -0.260 37.428 38.000 -0.520 0.000 1.051 28 I HN -0.040 nan 8.210 nan 0.000 0.409 29 I N 0.584 121.022 120.570 -0.221 0.000 2.264 29 I HA -0.309 3.860 4.170 -0.001 0.000 0.248 29 I C 2.796 178.839 176.117 -0.124 0.000 1.111 29 I CA 1.373 62.581 61.300 -0.153 0.000 1.382 29 I CB -0.392 37.523 38.000 -0.142 0.000 1.060 29 I HN 0.179 nan 8.210 nan 0.000 0.418 30 R N 0.581 121.005 120.500 -0.127 0.000 2.080 30 R HA -0.177 4.163 4.340 -0.001 0.000 0.236 30 R C 2.317 178.562 176.300 -0.091 0.000 1.137 30 R CA 1.700 57.742 56.100 -0.097 0.000 0.943 30 R CB -0.432 29.815 30.300 -0.087 0.000 0.846 30 R HN 0.348 nan 8.270 nan 0.000 0.431 31 I N 0.155 120.659 120.570 -0.110 0.000 2.133 31 I HA -0.216 3.954 4.170 -0.001 0.000 0.238 31 I C 2.278 178.344 176.117 -0.085 0.000 1.074 31 I CA 1.342 62.584 61.300 -0.096 0.000 1.342 31 I CB -0.212 37.719 38.000 -0.115 0.000 1.053 31 I HN 0.113 nan 8.210 nan 0.000 0.404 32 V N -1.623 118.233 119.914 -0.097 0.000 3.650 32 V HA 0.534 4.653 4.120 -0.001 0.000 0.271 32 V C 0.788 176.843 176.094 -0.065 0.000 1.281 32 V CA 0.191 62.445 62.300 -0.077 0.000 1.120 32 V CB -0.742 31.031 31.823 -0.084 0.000 0.856 32 V HN 0.549 nan 8.190 nan 0.000 0.443 33 G N 0.964 109.722 108.800 -0.070 0.000 2.692 33 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.686 33 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.686 33 G C 0.431 175.297 174.900 -0.056 0.000 1.243 33 G CA 0.332 45.398 45.100 -0.056 0.000 0.782 33 G HN 1.423 nan 8.290 nan 0.000 0.625 34 S N -0.425 115.245 115.700 -0.049 0.000 2.419 34 S HA -0.078 4.392 4.470 -0.001 0.000 0.233 34 S C 1.671 176.256 174.600 -0.025 0.000 1.016 34 S CA 1.880 60.053 58.200 -0.044 0.000 0.974 34 S CB -0.066 63.110 63.200 -0.041 0.000 0.786 34 S HN 0.696 nan 8.310 nan 0.000 0.492 35 E N 1.949 122.137 120.200 -0.019 0.000 2.274 35 E HA 0.055 4.404 4.350 -0.001 0.000 0.194 35 E C 0.774 177.371 176.600 -0.005 0.000 0.996 35 E CA 0.490 56.886 56.400 -0.007 0.000 0.840 35 E CB -0.445 29.252 29.700 -0.006 0.000 0.772 35 E HN 0.590 nan 8.360 nan 0.000 0.491 36 N N 0.388 119.076 118.700 -0.019 0.000 2.235 36 N HA 0.072 4.812 4.740 -0.001 0.000 0.209 36 N C -0.690 174.805 175.510 -0.025 0.000 1.122 36 N CA 0.087 53.125 53.050 -0.019 0.000 0.845 36 N CB 1.522 39.989 38.487 -0.033 0.000 1.004 36 N HN -0.105 nan 8.380 nan 0.000 0.499 37 V N 0.760 120.661 119.914 -0.023 0.000 2.531 37 V HA 0.318 4.438 4.120 -0.001 0.000 0.301 37 V C -0.305 175.798 176.094 0.014 0.000 1.034 37 V CA -0.788 61.496 62.300 -0.027 0.000 0.865 37 V CB 2.830 34.611 31.823 -0.069 0.000 0.995 37 V HN 0.013 nan 8.190 nan 0.000 0.424 38 E N 3.778 124.009 120.200 0.051 0.000 2.241 38 E HA 0.538 4.888 4.350 -0.001 0.000 0.263 38 E C -1.656 175.022 176.600 0.130 0.000 0.882 38 E CA -0.478 55.972 56.400 0.085 0.000 0.769 38 E CB 2.296 32.052 29.700 0.093 0.000 1.185 38 E HN 0.455 nan 8.360 nan 0.000 0.415 39 V N 5.658 125.664 119.914 0.152 0.000 2.461 39 V HA 0.181 4.301 4.120 -0.001 0.000 0.275 39 V C 0.249 176.450 176.094 0.179 0.000 1.047 39 V CA -0.578 61.858 62.300 0.226 0.000 0.955 39 V CB 1.104 33.101 31.823 0.291 0.000 0.988 39 V HN 0.627 nan 8.190 nan 0.000 0.471 40 I N 4.881 125.553 120.570 0.170 0.000 2.256 40 I HA 0.281 4.451 4.170 -0.001 0.000 0.294 40 I C 0.766 176.927 176.117 0.073 0.000 1.127 40 I CA 0.607 61.975 61.300 0.113 0.000 1.247 40 I CB -0.306 37.761 38.000 0.111 0.000 1.460 40 I HN 0.544 nan 8.210 nan 0.000 0.511 48 D N 2.631 123.188 120.400 0.262 0.000 2.264 48 D HA 0.180 4.820 4.640 -0.001 0.000 0.208 48 D C 1.469 177.813 176.300 0.074 0.000 0.966 48 D CA 1.814 55.937 54.000 0.204 0.000 0.864 48 D CB 0.193 41.072 40.800 0.131 0.000 0.933 48 D HN 1.177 nan 8.370 nan 0.000 0.499 49 G N 0.504 109.342 108.800 0.063 0.000 2.547 49 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.271 49 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.271 49 G C 0.141 175.044 174.900 0.005 0.000 1.209 49 G CA 0.732 45.842 45.100 0.016 0.000 0.959 49 G HN 0.751 nan 8.290 nan 0.000 0.563 50 S N -2.991 112.703 115.700 -0.009 0.000 2.790 50 S HA 0.609 5.079 4.470 -0.001 0.000 0.292 50 S C 0.321 174.945 174.600 0.040 0.000 1.197 50 S CA 0.477 58.687 58.200 0.017 0.000 0.851 50 S CB 1.315 64.521 63.200 0.010 0.000 1.217 50 S HN 1.729 nan 8.310 nan 0.000 0.526 51 Y N 0.742 121.017 120.300 -0.041 0.000 2.286 51 Y HA 0.153 4.703 4.550 -0.001 0.000 0.293 51 Y C 2.345 178.223 175.900 -0.037 0.000 1.124 51 Y CA 1.737 59.824 58.100 -0.022 0.000 1.178 51 Y CB -0.354 38.095 38.460 -0.018 0.000 1.010 51 Y HN 0.599 nan 8.280 nan 0.000 0.536 52 M N 0.615 120.231 119.600 0.026 0.000 2.117 52 M HA -0.154 4.326 4.480 -0.001 0.000 0.262 52 M C 0.224 176.460 176.300 -0.107 0.000 1.065 52 M CA 1.739 56.998 55.300 -0.068 0.000 1.114 52 M CB -0.124 32.447 32.600 -0.048 0.000 1.361 52 M HN 0.063 nan 8.290 nan 0.000 0.408 53 K N 0.804 121.151 120.400 -0.089 0.000 2.606 53 K HA 0.392 4.712 4.320 -0.001 0.000 0.196 53 K C -2.838 173.676 176.600 -0.144 0.000 1.048 53 K CA -1.768 54.455 56.287 -0.108 0.000 1.017 53 K CB 0.301 32.749 32.500 -0.087 0.000 1.413 53 K HN -0.032 nan 8.250 nan 0.000 0.568 54 P HA -0.098 nan 4.420 nan 0.000 0.265 54 P C -0.011 177.094 177.300 -0.325 0.000 1.193 54 P CA 0.243 63.227 63.100 -0.192 0.000 0.765 54 P CB 0.809 32.425 31.700 -0.140 0.000 0.823 55 T N 1.867 116.306 114.554 -0.193 0.000 2.869 55 T HA 0.140 4.489 4.350 -0.001 0.000 0.295 55 T C 0.689 175.332 174.700 -0.096 0.000 0.987 55 T CA -0.045 61.962 62.100 -0.155 0.000 1.109 55 T CB -0.181 68.669 68.868 -0.030 0.000 0.932 55 T HN 0.392 nan 8.240 nan 0.000 0.518 56 H N 1.671 120.786 119.070 0.076 0.000 2.652 56 H HA 0.175 4.731 4.556 -0.001 0.000 0.274 56 H C 1.995 177.397 175.328 0.123 0.000 1.021 56 H CA 0.400 56.500 56.048 0.087 0.000 1.187 56 H CB 0.725 30.538 29.762 0.085 0.000 1.505 56 H HN 0.724 nan 8.280 nan 0.000 0.530 57 T N -1.643 113.078 114.554 0.278 0.000 3.037 57 T HA -0.002 4.348 4.350 -0.001 0.000 0.252 57 T C 0.681 175.587 174.700 0.344 0.000 1.073 57 T CA 0.154 62.431 62.100 0.296 0.000 1.091 57 T CB 0.324 69.368 68.868 0.294 0.000 0.935 57 T HN 0.469 nan 8.240 nan 0.000 0.488 58 H N -1.101 118.050 119.070 0.134 0.000 2.902 58 H HA 0.475 5.031 4.556 -0.001 0.000 0.297 58 H C -2.091 173.339 175.328 0.170 0.000 1.406 58 H CA -0.824 55.318 56.048 0.156 0.000 1.134 58 H CB 0.595 30.455 29.762 0.164 0.000 1.833 58 H HN 0.035 nan 8.280 nan 0.000 0.527 59 D N 2.092 122.559 120.400 0.111 0.000 2.336 59 D HA 0.173 4.813 4.640 -0.001 0.000 0.249 59 D C -1.505 174.806 176.300 0.019 0.000 1.213 59 D CA -2.156 51.896 54.000 0.086 0.000 0.870 59 D CB 1.323 42.330 40.800 0.344 0.000 1.076 59 D HN 0.220 nan 8.370 nan 0.000 0.483 60 P HA -0.063 nan 4.420 nan 0.000 0.215 60 P C 0.464 177.635 177.300 -0.215 0.000 1.157 60 P CA 0.917 63.925 63.100 -0.154 0.000 0.856 60 P CB -0.277 31.334 31.700 -0.148 0.000 0.786 61 T N -1.120 113.354 114.554 -0.134 0.000 4.098 61 T HA 0.187 4.536 4.350 -0.001 0.000 0.291 61 T C 0.087 174.841 174.700 0.089 0.000 1.440 61 T CA -0.775 61.237 62.100 -0.146 0.000 1.164 61 T CB -1.809 66.947 68.868 -0.187 0.000 1.313 61 T HN 0.240 nan 8.240 nan 0.000 0.951 62 H N 0.385 119.610 119.070 0.260 0.000 2.848 62 H HA 0.434 4.990 4.556 -0.001 0.000 0.341 62 H C 1.142 176.676 175.328 0.343 0.000 1.060 62 H CA -0.637 55.593 56.048 0.304 0.000 1.444 62 H CB 0.617 30.541 29.762 0.270 0.000 1.446 62 H HN 0.270 nan 8.280 nan 0.000 0.583 63 V N -0.925 119.206 119.914 0.360 0.000 3.371 63 V HA 0.225 4.345 4.120 -0.001 0.000 0.246 63 V C 0.514 176.676 176.094 0.113 0.000 1.303 63 V CA -0.099 62.281 62.300 0.134 0.000 1.156 63 V CB 0.211 32.021 31.823 -0.021 0.000 0.929 63 V HN 0.464 nan 8.190 nan 0.000 0.459 64 M N 1.813 121.514 119.600 0.167 0.000 2.494 64 M HA 0.547 5.027 4.480 -0.001 0.000 0.300 64 M C -0.194 176.197 176.300 0.152 0.000 1.189 64 M CA -0.495 54.855 55.300 0.083 0.000 0.982 64 M CB 0.823 33.370 32.600 -0.088 0.000 1.534 64 M HN 0.336 nan 8.290 nan 0.000 0.488 65 D N 0.633 121.148 120.400 0.191 0.000 2.384 65 D HA 0.121 4.761 4.640 -0.001 0.000 0.244 65 D C -0.671 175.696 176.300 0.111 0.000 1.251 65 D CA -0.003 54.081 54.000 0.140 0.000 0.961 65 D CB 0.680 41.541 40.800 0.103 0.000 1.116 65 D HN 0.457 nan 8.370 nan 0.000 0.484 66 Q N 0.665 120.459 119.800 -0.011 0.000 2.337 66 Q HA 0.302 4.642 4.340 -0.001 0.000 0.270 66 Q C -0.599 175.312 176.000 -0.148 0.000 1.002 66 Q CA 0.030 55.795 55.803 -0.063 0.000 0.888 66 Q CB 0.562 29.263 28.738 -0.061 0.000 1.222 66 Q HN 0.351 nan 8.270 nan 0.000 0.400 67 D N -1.129 119.188 120.400 -0.139 0.000 2.729 67 D HA -0.152 4.488 4.640 -0.001 0.000 0.188 67 D C -1.156 174.978 176.300 -0.277 0.000 0.917 67 D CA 0.693 54.571 54.000 -0.203 0.000 0.989 67 D CB -1.511 39.194 40.800 -0.158 0.000 1.034 67 D HN 0.513 nan 8.370 nan 0.000 0.463 68 Y N 0.132 120.283 120.300 -0.247 0.000 2.323 68 Y HA 0.448 4.997 4.550 -0.001 0.000 0.331 68 Y C 0.703 176.359 175.900 -0.407 0.000 1.092 68 Y CA -1.039 56.722 58.100 -0.566 0.000 1.150 68 Y CB 0.458 38.256 38.460 -1.103 0.000 1.200 68 Y HN -0.146 nan 8.280 nan 0.000 0.472 69 F N 1.149 121.236 119.950 0.228 0.000 2.969 69 F HA -0.215 4.312 4.527 -0.001 0.000 0.273 69 F C -0.846 175.004 175.800 0.084 0.000 0.986 69 F CA -0.412 57.638 58.000 0.084 0.000 0.926 69 F CB -1.847 37.180 39.000 0.044 0.000 0.887 69 F HN 0.229 nan 8.300 nan 0.000 0.816 70 L N 0.770 122.110 121.223 0.195 0.000 2.343 70 L HA 0.908 5.247 4.340 -0.001 0.000 0.278 70 L C 0.247 177.202 176.870 0.142 0.000 0.996 70 L CA -1.098 53.839 54.840 0.161 0.000 0.831 70 L CB 1.367 43.485 42.059 0.099 0.000 1.232 70 L HN 0.271 nan 8.230 nan 0.000 0.413 71 A N 3.006 125.919 122.820 0.156 0.000 2.386 71 A HA 0.453 4.773 4.320 -0.001 0.000 0.248 71 A C 1.122 178.814 177.584 0.181 0.000 1.082 71 A CA 0.403 52.545 52.037 0.175 0.000 0.789 71 A CB 0.218 19.330 19.000 0.186 0.000 1.025 71 A HN 1.043 nan 8.150 nan 0.000 0.490 72 S N 0.772 116.616 115.700 0.241 0.000 2.425 72 S HA 0.462 4.932 4.470 -0.001 0.000 0.225 72 S C 0.651 175.454 174.600 0.338 0.000 1.024 72 S CA 0.739 59.088 58.200 0.248 0.000 0.951 72 S CB -0.233 63.191 63.200 0.373 0.000 0.796 72 S HN 2.115 nan 8.310 nan 0.000 0.498 73 A N 0.014 123.036 122.820 0.336 0.000 2.605 73 A HA 0.700 5.019 4.320 -0.001 0.000 0.294 73 A C -1.827 175.870 177.584 0.189 0.000 1.062 73 A CA -0.809 51.393 52.037 0.275 0.000 0.682 73 A CB 0.739 19.924 19.000 0.308 0.000 1.278 73 A HN 0.207 nan 8.150 nan 0.000 0.410 74 I N 1.024 121.681 120.570 0.145 0.000 2.362 74 I HA 0.551 4.721 4.170 -0.001 0.000 0.289 74 I C -0.417 175.734 176.117 0.056 0.000 0.994 74 I CA -0.373 60.994 61.300 0.112 0.000 1.158 74 I CB 1.761 39.843 38.000 0.136 0.000 1.315 74 I HN 0.343 nan 8.210 nan 0.000 0.451 75 V N 5.178 125.104 119.914 0.020 0.000 2.604 75 V HA 0.827 4.947 4.120 -0.001 0.000 0.305 75 V C -0.159 175.915 176.094 -0.035 0.000 1.043 75 V CA -0.785 61.501 62.300 -0.024 0.000 0.888 75 V CB 1.831 33.615 31.823 -0.065 0.000 0.995 75 V HN 0.781 nan 8.190 nan 0.000 0.429 76 A N 6.518 129.315 122.820 -0.039 0.000 2.360 76 A HA 0.815 5.134 4.320 -0.001 0.000 0.309 76 A C -2.700 174.856 177.584 -0.048 0.000 1.311 76 A CA -1.686 50.326 52.037 -0.042 0.000 0.805 76 A CB 0.702 19.687 19.000 -0.025 0.000 1.144 76 A HN 0.572 nan 8.150 nan 0.000 0.486 77 P HA 0.100 nan 4.420 nan 0.000 0.266 77 P C 0.356 177.630 177.300 -0.044 0.000 1.195 77 P CA 0.065 63.132 63.100 -0.055 0.000 0.768 77 P CB 0.705 32.372 31.700 -0.055 0.000 0.838 78 R N 1.709 122.184 120.500 -0.042 0.000 2.210 78 R HA 0.104 4.444 4.340 -0.001 0.000 0.203 78 R C 1.066 177.349 176.300 -0.030 0.000 1.010 78 R CA 0.638 56.719 56.100 -0.032 0.000 1.008 78 R CB -0.192 30.090 30.300 -0.031 0.000 0.923 78 R HN 0.692 nan 8.270 nan 0.000 0.469 79 N N -2.680 116.000 118.700 -0.034 0.000 3.308 79 N HA 0.034 4.773 4.740 -0.001 0.000 0.276 79 N C 0.291 175.779 175.510 -0.036 0.000 1.533 79 N CA -0.664 52.368 53.050 -0.031 0.000 0.878 79 N CB 1.148 39.620 38.487 -0.026 0.000 1.566 79 N HN -0.334 nan 8.380 nan 0.000 0.546 80 V N 0.210 120.103 119.914 -0.035 0.000 2.490 80 V HA -0.190 3.929 4.120 -0.001 0.000 0.250 80 V C 2.698 178.766 176.094 -0.043 0.000 1.061 80 V CA 2.520 64.796 62.300 -0.041 0.000 1.064 80 V CB -1.318 30.481 31.823 -0.041 0.000 0.670 80 V HN 0.816 nan 8.190 nan 0.000 0.461 81 A N 0.287 123.082 122.820 -0.040 0.000 1.908 81 A HA -0.272 4.047 4.320 -0.001 0.000 0.218 81 A C 1.967 179.524 177.584 -0.045 0.000 1.181 81 A CA 2.196 54.209 52.037 -0.040 0.000 0.627 81 A CB -0.615 18.363 19.000 -0.037 0.000 0.818 81 A HN 0.546 nan 8.150 nan 0.000 0.445 82 D N -0.321 120.050 120.400 -0.049 0.000 2.144 82 D HA -0.078 4.562 4.640 -0.001 0.000 0.200 82 D C 2.055 178.318 176.300 -0.060 0.000 0.978 82 D CA 1.306 55.271 54.000 -0.059 0.000 0.833 82 D CB -0.548 40.214 40.800 -0.064 0.000 0.961 82 D HN 0.235 nan 8.370 nan 0.000 0.470 83 V N 1.093 120.976 119.914 -0.053 0.000 2.287 83 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 83 V C 2.470 178.540 176.094 -0.041 0.000 1.053 83 V CA 1.715 63.985 62.300 -0.050 0.000 1.027 83 V CB -0.643 31.150 31.823 -0.050 0.000 0.646 83 V HN 0.223 nan 8.190 nan 0.000 0.447 84 Q N -0.048 119.728 119.800 -0.040 0.000 2.096 84 Q HA -0.186 4.153 4.340 -0.001 0.000 0.204 84 Q C 2.517 178.503 176.000 -0.025 0.000 0.982 84 Q CA 2.018 57.803 55.803 -0.031 0.000 0.850 84 Q CB -0.329 28.390 28.738 -0.033 0.000 0.901 84 Q HN 0.635 nan 8.270 nan 0.000 0.422 85 S N 0.932 116.610 115.700 -0.037 0.000 2.359 85 S HA -0.140 4.330 4.470 -0.001 0.000 0.224 85 S C 1.975 176.547 174.600 -0.047 0.000 1.035 85 S CA 1.104 59.279 58.200 -0.042 0.000 1.018 85 S CB -0.240 62.923 63.200 -0.060 0.000 0.876 85 S HN 0.278 nan 8.310 nan 0.000 0.448 86 I N 1.077 121.608 120.570 -0.065 0.000 2.315 86 I HA -0.116 4.054 4.170 -0.001 0.000 0.248 86 I C 2.127 178.252 176.117 0.013 0.000 1.117 86 I CA 0.729 61.983 61.300 -0.077 0.000 1.404 86 I CB -0.378 37.565 38.000 -0.095 0.000 1.071 86 I HN 0.129 nan 8.210 nan 0.000 0.419 87 V N 1.010 120.937 119.914 0.022 0.000 2.407 87 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 87 V C 2.584 178.727 176.094 0.082 0.000 1.055 87 V CA 2.109 64.442 62.300 0.056 0.000 1.049 87 V CB -1.351 30.487 31.823 0.026 0.000 0.662 87 V HN 0.574 nan 8.190 nan 0.000 0.455 88 G N -0.199 108.636 108.800 0.057 0.000 2.446 88 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 88 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 88 G C 1.598 176.579 174.900 0.134 0.000 1.168 88 G CA 1.023 46.164 45.100 0.069 0.000 0.771 88 G HN 0.464 nan 8.290 nan 0.000 0.551 89 L N 0.640 121.958 121.223 0.157 0.000 2.083 89 L HA -0.027 4.313 4.340 -0.001 0.000 0.209 89 L C 3.389 180.601 176.870 0.569 0.000 1.083 89 L CA 0.966 55.999 54.840 0.322 0.000 0.752 89 L CB -0.298 41.800 42.059 0.064 0.000 0.899 89 L HN 0.315 nan 8.230 nan 0.000 0.433 90 A N -0.203 122.888 122.820 0.451 0.000 1.930 90 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 90 A C 2.085 179.859 177.584 0.317 0.000 1.175 90 A CA 1.584 53.887 52.037 0.442 0.000 0.627 90 A CB -0.480 18.706 19.000 0.310 0.000 0.815 90 A HN 0.417 nan 8.150 nan 0.000 0.443 91 N N -0.204 118.629 118.700 0.222 0.000 2.142 91 N HA -0.144 4.595 4.740 -0.001 0.000 0.186 91 N C 1.752 177.339 175.510 0.130 0.000 1.023 91 N CA 1.547 54.685 53.050 0.147 0.000 0.852 91 N CB -0.262 38.282 38.487 0.095 0.000 0.998 91 N HN 0.632 nan 8.380 nan 0.000 0.424 92 K N -0.072 120.413 120.400 0.141 0.000 2.026 92 K HA -0.065 4.255 4.320 -0.001 0.000 0.208 92 K C 1.053 177.596 176.600 -0.096 0.000 1.048 92 K CA 1.277 57.560 56.287 -0.007 0.000 0.929 92 K CB -0.061 32.406 32.500 -0.056 0.000 0.713 92 K HN 0.048 nan 8.250 nan 0.000 0.439 93 F N 0.395 120.446 119.950 0.167 0.000 2.727 93 F HA 0.225 4.751 4.527 -0.001 0.000 0.302 93 F C 0.449 176.300 175.800 0.085 0.000 1.097 93 F CA -0.074 58.011 58.000 0.142 0.000 1.330 93 F CB 0.577 39.702 39.000 0.209 0.000 1.084 93 F HN -0.170 nan 8.300 nan 0.000 0.578 94 S N 0.530 116.370 115.700 0.234 0.000 3.783 94 S HA -0.241 4.228 4.470 -0.001 0.000 0.360 94 S C -0.338 174.339 174.600 0.129 0.000 1.006 94 S CA 0.025 58.314 58.200 0.148 0.000 1.115 94 S CB -1.909 61.333 63.200 0.071 0.000 0.893 94 S HN 0.277 nan 8.310 nan 0.000 0.475 95 F N 3.086 123.056 119.950 0.034 0.000 2.444 95 F HA 0.543 5.070 4.527 -0.001 0.000 0.342 95 F C -2.288 173.528 175.800 0.027 0.000 1.121 95 F CA -2.212 55.741 58.000 -0.078 0.000 0.997 95 F CB 1.339 40.055 39.000 -0.474 0.000 1.130 95 F HN -0.078 nan 8.300 nan 0.000 0.454 96 P HA 0.292 nan 4.420 nan 0.000 0.285 96 P C -1.076 176.451 177.300 0.378 0.000 1.259 96 P CA -0.119 63.184 63.100 0.338 0.000 0.794 96 P CB 1.364 33.212 31.700 0.247 0.000 0.940 97 L N 2.786 124.161 121.223 0.253 0.000 2.334 97 L HA 0.534 4.874 4.340 -0.001 0.000 0.275 97 L C 0.028 177.047 176.870 0.249 0.000 1.036 97 L CA -0.539 54.429 54.840 0.213 0.000 0.807 97 L CB 1.939 44.071 42.059 0.122 0.000 1.231 97 L HN 0.456 nan 8.230 nan 0.000 0.438 98 W N 5.659 126.977 121.300 0.029 0.000 2.517 98 W HA 0.338 4.997 4.660 -0.001 0.000 0.301 98 W C -2.696 173.811 176.519 -0.019 0.000 1.002 98 W CA -1.724 55.618 57.345 -0.004 0.000 1.415 98 W CB 1.987 31.455 29.460 0.013 0.000 1.275 98 W HN 0.211 nan 8.180 nan 0.000 0.413 99 P HA 0.225 nan 4.420 nan 0.000 0.281 99 P C -0.437 176.697 177.300 -0.275 0.000 1.252 99 P CA 0.330 63.296 63.100 -0.223 0.000 0.778 99 P CB 1.576 33.140 31.700 -0.227 0.000 0.895 100 I N -0.836 119.663 120.570 -0.119 0.000 2.892 100 I HA 0.534 4.703 4.170 -0.001 0.000 0.306 100 I C 0.402 176.473 176.117 -0.077 0.000 1.078 100 I CA -0.798 60.458 61.300 -0.072 0.000 1.032 100 I CB 2.088 40.104 38.000 0.026 0.000 1.229 100 I HN -0.004 nan 8.210 nan 0.000 0.435 101 S N 2.439 118.109 115.700 -0.050 0.000 2.527 101 S HA 0.345 4.815 4.470 -0.001 0.000 0.225 101 S C 1.248 175.832 174.600 -0.028 0.000 1.046 101 S CA 0.417 58.589 58.200 -0.047 0.000 0.929 101 S CB 0.199 63.374 63.200 -0.041 0.000 0.851 101 S HN 0.670 nan 8.310 nan 0.000 0.565 102 I N -0.088 120.489 120.570 0.012 0.000 4.124 102 I HA 0.268 4.438 4.170 -0.001 0.000 0.311 102 I C 1.576 177.763 176.117 0.116 0.000 1.259 102 I CA 0.998 62.329 61.300 0.050 0.000 1.315 102 I CB -0.579 37.449 38.000 0.046 0.000 1.223 102 I HN 0.503 nan 8.210 nan 0.000 0.441 103 G N 2.090 110.956 108.800 0.110 0.000 2.132 103 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.228 103 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.228 103 G C 0.690 175.680 174.900 0.150 0.000 1.000 103 G CA -0.079 45.124 45.100 0.172 0.000 0.693 103 G HN 0.349 nan 8.290 nan 0.000 0.515 104 R N -0.005 120.569 120.500 0.122 0.000 3.179 104 R HA 0.192 4.531 4.340 -0.001 0.000 0.317 104 R C 0.728 177.169 176.300 0.236 0.000 1.331 104 R CA -0.428 55.745 56.100 0.121 0.000 1.184 104 R CB -0.093 30.215 30.300 0.013 0.000 1.408 104 R HN 0.129 nan 8.270 nan 0.000 0.598 105 N N 0.579 119.419 118.700 0.233 0.000 2.843 105 N HA 0.027 4.766 4.740 -0.001 0.000 0.284 105 N C -0.844 174.838 175.510 0.287 0.000 1.274 105 N CA 0.098 53.332 53.050 0.306 0.000 1.045 105 N CB 0.240 38.892 38.487 0.275 0.000 1.370 105 N HN 0.021 nan 8.380 nan 0.000 0.525 106 S N -0.702 115.155 115.700 0.262 0.000 2.525 106 S HA 0.375 4.844 4.470 -0.001 0.000 0.285 106 S C 1.437 176.015 174.600 -0.036 0.000 1.283 106 S CA 0.369 58.644 58.200 0.125 0.000 1.072 106 S CB 0.784 64.165 63.200 0.303 0.000 0.867 106 S HN 0.610 nan 8.310 nan 0.000 0.492 107 G N 2.054 110.588 108.800 -0.443 0.000 2.232 107 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.226 107 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.226 107 G C 0.168 174.961 174.900 -0.178 0.000 0.996 107 G CA -0.085 44.625 45.100 -0.649 0.000 0.626 107 G HN 0.680 nan 8.290 nan 0.000 0.509 108 Y N 0.128 120.565 120.300 0.229 0.000 2.588 108 Y HA 0.486 5.035 4.550 -0.001 0.000 0.247 108 Y C 1.861 177.684 175.900 -0.128 0.000 1.157 108 Y CA -0.052 58.159 58.100 0.185 0.000 1.215 108 Y CB 1.108 39.675 38.460 0.178 0.000 1.245 108 Y HN 1.057 nan 8.280 nan 0.000 0.534 109 G N -1.144 107.637 108.800 -0.032 0.000 2.205 109 G HA2 0.083 4.042 3.960 -0.001 0.000 0.180 109 G HA3 0.083 4.042 3.960 -0.001 0.000 0.180 109 G C 0.939 175.801 174.900 -0.064 0.000 1.004 109 G CA 0.059 44.980 45.100 -0.299 0.000 0.670 109 G HN 0.902 nan 8.290 nan 0.000 0.496 110 G N 0.273 109.101 108.800 0.045 0.000 2.574 110 G HA2 0.129 4.089 3.960 -0.001 0.000 0.286 110 G HA3 0.129 4.089 3.960 -0.001 0.000 0.286 110 G C 1.314 176.281 174.900 0.112 0.000 1.212 110 G CA 2.295 47.439 45.100 0.073 0.000 0.979 110 G HN 1.920 nan 8.290 nan 0.000 0.557 111 A N 0.265 123.157 122.820 0.120 0.000 2.275 111 A HA 0.731 5.051 4.320 -0.001 0.000 0.212 111 A C 1.659 179.311 177.584 0.114 0.000 1.201 111 A CA 1.580 53.733 52.037 0.194 0.000 0.843 111 A CB -0.596 18.564 19.000 0.267 0.000 0.873 111 A HN 2.441 nan 8.150 nan 0.000 0.492 112 A N 1.739 124.544 122.820 -0.024 0.000 2.531 112 A HA 0.473 4.792 4.320 -0.001 0.000 0.236 112 A C -2.196 175.006 177.584 -0.636 0.000 1.062 112 A CA -0.781 51.163 52.037 -0.154 0.000 0.760 112 A CB -0.232 18.738 19.000 -0.049 0.000 0.995 112 A HN 0.313 nan 8.150 nan 0.000 0.501 113 P HA 0.222 nan 4.420 nan 0.000 0.277 113 P C 0.309 177.034 177.300 -0.958 0.000 1.240 113 P CA -0.401 61.895 63.100 -1.340 0.000 0.798 113 P CB 0.974 32.409 31.700 -0.443 0.000 0.979 114 R N 1.967 121.733 120.500 -1.223 0.000 2.115 114 R HA 0.037 4.377 4.340 -0.001 0.000 0.226 114 R C 0.122 176.492 176.300 0.117 0.000 1.100 114 R CA 1.357 57.218 56.100 -0.399 0.000 0.980 114 R CB -0.816 29.296 30.300 -0.313 0.000 0.875 114 R HN 0.314 nan 8.270 nan 0.000 0.445 115 V N 1.623 121.554 119.914 0.028 0.000 2.347 115 V HA 0.278 4.398 4.120 -0.001 0.000 0.280 115 V C -0.300 175.915 176.094 0.202 0.000 1.021 115 V CA -0.622 61.784 62.300 0.176 0.000 0.847 115 V CB 1.409 33.211 31.823 -0.037 0.000 0.990 115 V HN 0.237 nan 8.190 nan 0.000 0.444 116 S N 3.598 119.476 115.700 0.297 0.000 2.558 116 S HA 0.391 4.860 4.470 -0.001 0.000 0.288 116 S C 1.282 175.990 174.600 0.181 0.000 1.318 116 S CA 0.852 59.175 58.200 0.204 0.000 1.056 116 S CB 0.712 64.002 63.200 0.151 0.000 0.853 116 S HN 1.494 nan 8.310 nan 0.000 0.505 117 G N 2.412 111.302 108.800 0.150 0.000 2.175 117 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.244 117 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.244 117 G C 0.260 175.316 174.900 0.260 0.000 0.982 117 G CA 0.099 45.285 45.100 0.142 0.000 0.641 117 G HN 0.705 nan 8.290 nan 0.000 0.527 118 S N -0.678 115.181 115.700 0.265 0.000 2.600 118 S HA 0.496 4.966 4.470 -0.001 0.000 0.265 118 S C 0.671 175.520 174.600 0.415 0.000 1.325 118 S CA -0.130 58.294 58.200 0.372 0.000 1.002 118 S CB 1.895 65.260 63.200 0.275 0.000 0.921 118 S HN 0.659 nan 8.310 nan 0.000 0.554 119 V N 2.728 122.881 119.914 0.399 0.000 2.432 119 V HA 0.208 4.327 4.120 -0.001 0.000 0.275 119 V C -0.039 176.186 176.094 0.220 0.000 1.043 119 V CA -0.492 61.940 62.300 0.220 0.000 0.925 119 V CB 1.273 33.105 31.823 0.015 0.000 0.985 119 V HN 0.620 nan 8.190 nan 0.000 0.466 120 V N 6.742 126.775 119.914 0.199 0.000 2.461 120 V HA 0.227 4.346 4.120 -0.001 0.000 0.275 120 V C 0.012 176.170 176.094 0.107 0.000 1.047 120 V CA -0.319 62.105 62.300 0.206 0.000 0.955 120 V CB 1.347 33.284 31.823 0.190 0.000 0.988 120 V HN 0.606 nan 8.190 nan 0.000 0.471 121 L N 5.181 126.453 121.223 0.082 0.000 2.272 121 L HA 0.431 4.770 4.340 -0.001 0.000 0.284 121 L C 0.134 176.975 176.870 -0.049 0.000 1.045 121 L CA -0.027 54.814 54.840 0.003 0.000 0.842 121 L CB 0.917 42.972 42.059 -0.007 0.000 1.224 121 L HN 0.630 nan 8.230 nan 0.000 0.430 122 D N 4.887 125.235 120.400 -0.087 0.000 2.435 122 D HA 0.033 4.672 4.640 -0.001 0.000 0.230 122 D C 1.052 177.291 176.300 -0.103 0.000 1.215 122 D CA -0.109 53.795 54.000 -0.160 0.000 0.947 122 D CB 0.652 41.316 40.800 -0.227 0.000 1.048 122 D HN 0.436 nan 8.370 nan 0.000 0.512 123 M N 1.946 121.492 119.600 -0.090 0.000 2.254 123 M HA 0.037 4.517 4.480 -0.001 0.000 0.265 123 M C 1.995 178.261 176.300 -0.057 0.000 1.066 123 M CA 0.674 55.932 55.300 -0.069 0.000 1.123 123 M CB -0.845 31.712 32.600 -0.071 0.000 1.388 123 M HN 0.412 nan 8.290 nan 0.000 0.425 124 G N 0.289 109.055 108.800 -0.058 0.000 2.448 124 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 124 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 124 G C 1.728 176.616 174.900 -0.019 0.000 1.135 124 G CA 0.629 45.708 45.100 -0.036 0.000 0.784 124 G HN 0.458 nan 8.290 nan 0.000 0.543 125 K N 0.577 120.966 120.400 -0.018 0.000 1.991 125 K HA -0.128 4.192 4.320 -0.001 0.000 0.212 125 K C 1.968 178.567 176.600 -0.002 0.000 1.049 125 K CA 1.673 57.962 56.287 0.004 0.000 0.932 125 K CB -0.108 32.399 32.500 0.012 0.000 0.717 125 K HN 0.220 nan 8.250 nan 0.000 0.441 126 N N -0.311 118.382 118.700 -0.013 0.000 2.415 126 N HA 0.042 4.782 4.740 -0.001 0.000 0.174 126 N C 0.091 175.592 175.510 -0.015 0.000 1.048 126 N CA 0.480 53.523 53.050 -0.012 0.000 0.895 126 N CB 0.406 38.883 38.487 -0.017 0.000 1.036 126 N HN 0.209 nan 8.380 nan 0.000 0.449 127 M N 0.925 120.512 119.600 -0.022 0.000 2.589 127 M HA 0.218 4.697 4.480 -0.001 0.000 0.340 127 M C 0.405 176.689 176.300 -0.026 0.000 1.308 127 M CA 0.032 55.318 55.300 -0.024 0.000 1.332 127 M CB 0.268 32.850 32.600 -0.029 0.000 1.219 127 M HN 0.016 nan 8.290 nan 0.000 0.467 128 N N 0.494 119.182 118.700 -0.020 0.000 2.210 128 N HA 0.154 4.894 4.740 -0.001 0.000 0.203 128 N C -0.162 175.332 175.510 -0.027 0.000 1.175 128 N CA -0.199 52.839 53.050 -0.019 0.000 0.894 128 N CB 0.900 39.384 38.487 -0.004 0.000 1.041 128 N HN 0.474 nan 8.380 nan 0.000 0.506 129 R N 1.120 121.602 120.500 -0.030 0.000 2.438 129 R HA 0.227 4.567 4.340 -0.001 0.000 0.287 129 R C -0.365 175.877 176.300 -0.097 0.000 1.077 129 R CA -0.300 55.775 56.100 -0.042 0.000 1.034 129 R CB 1.610 31.897 30.300 -0.021 0.000 0.993 129 R HN -0.130 nan 8.270 nan 0.000 0.459 130 V N 5.921 125.737 119.914 -0.164 0.000 2.397 130 V HA -0.014 4.106 4.120 -0.001 0.000 0.262 130 V C 1.400 177.340 176.094 -0.257 0.000 1.047 130 V CA 0.308 62.410 62.300 -0.330 0.000 1.003 130 V CB 0.291 31.666 31.823 -0.748 0.000 1.037 130 V HN 0.734 nan 8.190 nan 0.000 0.480 131 L N 3.112 124.234 121.223 -0.167 0.000 2.179 131 L HA 0.240 4.580 4.340 -0.001 0.000 0.208 131 L C 1.054 177.883 176.870 -0.069 0.000 1.096 131 L CA 1.059 55.855 54.840 -0.073 0.000 0.779 131 L CB 0.136 42.189 42.059 -0.009 0.000 0.922 131 L HN 0.715 nan 8.230 nan 0.000 0.443 132 E N -0.755 119.368 120.200 -0.129 0.000 2.400 132 E HA 0.327 4.677 4.350 -0.001 0.000 0.285 132 E C -1.814 174.698 176.600 -0.146 0.000 1.005 132 E CA -0.413 55.935 56.400 -0.086 0.000 0.816 132 E CB 2.404 32.101 29.700 -0.005 0.000 1.220 132 E HN -0.271 nan 8.360 nan 0.000 0.426 133 V N 4.410 124.253 119.914 -0.118 0.000 2.380 133 V HA 0.337 4.456 4.120 -0.001 0.000 0.286 133 V C -0.333 175.634 176.094 -0.211 0.000 1.015 133 V CA -0.848 61.371 62.300 -0.135 0.000 0.834 133 V CB 1.404 33.236 31.823 0.014 0.000 1.009 133 V HN 0.564 nan 8.190 nan 0.000 0.428 134 N N 3.667 122.083 118.700 -0.473 0.000 2.425 134 N HA 0.290 5.030 4.740 -0.001 0.000 0.268 134 N C 0.709 176.014 175.510 -0.342 0.000 0.991 134 N CA -0.232 52.514 53.050 -0.507 0.000 0.931 134 N CB 2.308 40.175 38.487 -1.033 0.000 1.130 134 N HN 0.332 nan 8.380 nan 0.000 0.493 135 V N 4.390 124.195 119.914 -0.182 0.000 2.255 135 V HA -0.226 3.894 4.120 -0.001 0.000 0.243 135 V C 2.277 178.312 176.094 -0.099 0.000 1.038 135 V CA 2.001 64.231 62.300 -0.116 0.000 1.008 135 V CB -0.637 31.142 31.823 -0.073 0.000 0.645 135 V HN 0.799 nan 8.190 nan 0.000 0.449 136 E N 1.367 121.520 120.200 -0.078 0.000 2.153 136 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 136 E C 1.973 178.556 176.600 -0.029 0.000 0.988 136 E CA 1.556 57.928 56.400 -0.047 0.000 0.811 136 E CB -0.519 29.165 29.700 -0.027 0.000 0.746 136 E HN 0.523 nan 8.360 nan 0.000 0.466 137 G N 0.406 109.194 108.800 -0.020 0.000 3.088 137 G HA2 0.304 4.263 3.960 -0.001 0.000 0.217 137 G HA3 0.304 4.263 3.960 -0.001 0.000 0.217 137 G C 0.609 175.573 174.900 0.107 0.000 1.159 137 G CA -0.120 45.041 45.100 0.102 0.000 0.760 137 G HN 0.581 nan 8.290 nan 0.000 0.550 138 A N -0.771 122.032 122.820 -0.028 0.000 2.203 138 A HA 0.013 4.332 4.320 -0.001 0.000 0.279 138 A C 0.067 177.742 177.584 0.151 0.000 1.396 138 A CA 1.382 53.415 52.037 -0.007 0.000 0.747 138 A CB -2.380 16.612 19.000 -0.013 0.000 1.151 138 A HN 1.845 nan 8.150 nan 0.000 0.345 139 Y N -2.404 117.938 120.300 0.069 0.000 2.655 139 Y HA 0.739 5.288 4.550 -0.001 0.000 0.336 139 Y C -0.099 175.792 175.900 -0.014 0.000 1.154 139 Y CA -1.642 56.518 58.100 0.100 0.000 1.055 139 Y CB 0.191 38.764 38.460 0.187 0.000 1.295 139 Y HN 1.277 nan 8.280 nan 0.000 0.465 140 C N 0.282 119.698 119.300 0.194 0.000 2.994 140 C HA 0.966 5.425 4.460 -0.001 0.000 0.304 140 C C -1.268 173.682 174.990 -0.067 0.000 1.273 140 C CA -1.070 57.950 59.018 0.005 0.000 1.537 140 C CB 1.202 28.895 27.740 -0.078 0.000 2.001 140 C HN 0.868 nan 8.230 nan 0.000 0.471 141 V N 1.705 121.512 119.914 -0.179 0.000 2.531 141 V HA 0.810 4.930 4.120 -0.001 0.000 0.301 141 V C -0.407 175.559 176.094 -0.212 0.000 1.034 141 V CA -0.317 61.797 62.300 -0.310 0.000 0.865 141 V CB 1.385 32.935 31.823 -0.455 0.000 0.995 141 V HN 0.960 nan 8.190 nan 0.000 0.424 142 V N 3.648 123.450 119.914 -0.187 0.000 3.007 142 V HA 0.530 4.649 4.120 -0.001 0.000 0.311 142 V C -0.333 175.702 176.094 -0.098 0.000 1.120 142 V CA -0.513 61.699 62.300 -0.147 0.000 0.980 142 V CB 2.694 34.416 31.823 -0.169 0.000 1.033 142 V HN 0.988 nan 8.190 nan 0.000 0.429 143 E N 4.217 124.369 120.200 -0.079 0.000 2.280 143 E HA 0.315 4.665 4.350 -0.001 0.000 0.261 143 E C -1.873 174.686 176.600 -0.068 0.000 1.088 143 E CA -1.578 54.790 56.400 -0.053 0.000 0.915 143 E CB 1.215 30.893 29.700 -0.036 0.000 1.141 143 E HN 0.422 nan 8.360 nan 0.000 0.433 144 P HA -0.147 nan 4.420 nan 0.000 0.216 144 P C 1.033 178.297 177.300 -0.060 0.000 1.150 144 P CA 1.274 64.336 63.100 -0.063 0.000 0.843 144 P CB 0.073 31.738 31.700 -0.059 0.000 0.787 145 G N -0.937 107.834 108.800 -0.048 0.000 2.848 145 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.208 145 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.208 145 G C 0.250 175.128 174.900 -0.036 0.000 1.152 145 G CA -0.054 45.026 45.100 -0.033 0.000 0.789 145 G HN 0.166 nan 8.290 nan 0.000 0.531 146 V N 2.826 122.701 119.914 -0.066 0.000 2.397 146 V HA 0.205 4.324 4.120 -0.001 0.000 0.262 146 V C 1.116 177.149 176.094 -0.102 0.000 1.047 146 V CA -0.135 62.120 62.300 -0.076 0.000 1.003 146 V CB -0.223 31.529 31.823 -0.118 0.000 1.037 146 V HN 0.398 nan 8.190 nan 0.000 0.480 147 T N 1.904 116.442 114.554 -0.026 0.000 2.816 147 T HA 0.257 4.606 4.350 -0.001 0.000 0.282 147 T C 0.952 175.647 174.700 -0.008 0.000 0.993 147 T CA -0.165 61.936 62.100 0.002 0.000 0.994 147 T CB 0.582 69.539 68.868 0.149 0.000 1.025 147 T HN 0.393 nan 8.240 nan 0.000 0.529 148 Y N -0.479 119.883 120.300 0.104 0.000 2.181 148 Y HA -0.078 4.471 4.550 -0.001 0.000 0.288 148 Y C 2.846 178.793 175.900 0.079 0.000 1.146 148 Y CA 2.007 60.143 58.100 0.060 0.000 1.164 148 Y CB -0.924 37.550 38.460 0.024 0.000 0.982 148 Y HN 0.882 nan 8.280 nan 0.000 0.515 149 H N -0.119 119.117 119.070 0.276 0.000 2.352 149 H HA -0.173 4.382 4.556 -0.001 0.000 0.299 149 H C 1.716 177.178 175.328 0.223 0.000 1.097 149 H CA 1.887 58.086 56.048 0.252 0.000 1.311 149 H CB 0.003 29.945 29.762 0.300 0.000 1.377 149 H HN 0.259 nan 8.280 nan 0.000 0.504 150 D N -0.017 120.560 120.400 0.296 0.000 2.117 150 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 150 D C 2.199 178.604 176.300 0.174 0.000 0.987 150 D CA 0.639 54.761 54.000 0.203 0.000 0.829 150 D CB -0.388 40.481 40.800 0.116 0.000 0.961 150 D HN 0.260 nan 8.370 nan 0.000 0.460 151 L N 0.784 122.082 121.223 0.124 0.000 2.046 151 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 151 L C 2.227 179.192 176.870 0.158 0.000 1.077 151 L CA 1.716 56.612 54.840 0.094 0.000 0.747 151 L CB -0.771 41.300 42.059 0.021 0.000 0.896 151 L HN 0.182 nan 8.230 nan 0.000 0.432 152 H N -0.630 118.477 119.070 0.062 0.000 2.319 152 H HA -0.180 4.375 4.556 -0.001 0.000 0.299 152 H C 1.787 177.150 175.328 0.059 0.000 1.092 152 H CA 1.949 58.006 56.048 0.015 0.000 1.302 152 H CB 0.230 29.925 29.762 -0.111 0.000 1.373 152 H HN 0.387 nan 8.280 nan 0.000 0.497 153 N N 0.280 119.014 118.700 0.056 0.000 2.120 153 N HA -0.179 4.561 4.740 -0.001 0.000 0.188 153 N C 1.895 177.411 175.510 0.011 0.000 1.024 153 N CA 1.168 54.235 53.050 0.028 0.000 0.852 153 N CB -0.922 37.664 38.487 0.166 0.000 1.003 153 N HN 0.456 nan 8.380 nan 0.000 0.424 154 Y N 1.597 121.879 120.300 -0.030 0.000 2.145 154 Y HA -0.086 4.464 4.550 -0.001 0.000 0.286 154 Y C 2.179 178.040 175.900 -0.065 0.000 1.145 154 Y CA 1.362 59.441 58.100 -0.035 0.000 1.148 154 Y CB -0.339 38.110 38.460 -0.018 0.000 0.981 154 Y HN -0.011 nan 8.280 nan 0.000 0.507 155 L N -0.218 121.061 121.223 0.094 0.000 2.046 155 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 155 L C 2.486 179.281 176.870 -0.125 0.000 1.077 155 L CA 1.518 56.358 54.840 -0.001 0.000 0.747 155 L CB -0.612 41.451 42.059 0.008 0.000 0.896 155 L HN 0.266 nan 8.230 nan 0.000 0.432 156 E N 0.393 120.465 120.200 -0.212 0.000 2.051 156 E HA -0.214 4.136 4.350 -0.001 0.000 0.192 156 E C 2.304 178.813 176.600 -0.152 0.000 0.991 156 E CA 1.399 57.675 56.400 -0.206 0.000 0.799 156 E CB -0.221 29.312 29.700 -0.279 0.000 0.748 156 E HN 0.467 nan 8.360 nan 0.000 0.449 157 A N 1.681 124.401 122.820 -0.166 0.000 1.940 157 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 157 A C 1.521 178.991 177.584 -0.190 0.000 1.176 157 A CA 1.789 53.727 52.037 -0.165 0.000 0.631 157 A CB -0.536 18.354 19.000 -0.182 0.000 0.814 157 A HN 0.202 nan 8.150 nan 0.000 0.446 158 N N 0.215 118.769 118.700 -0.244 0.000 2.251 158 N HA 0.101 4.840 4.740 -0.001 0.000 0.217 158 N C -0.660 174.778 175.510 -0.120 0.000 1.124 158 N CA -0.085 52.843 53.050 -0.203 0.000 0.843 158 N CB 0.155 38.471 38.487 -0.284 0.000 1.024 158 N HN 0.297 nan 8.380 nan 0.000 0.501 159 N N 0.768 119.409 118.700 -0.099 0.000 2.642 159 N HA -0.185 4.555 4.740 -0.001 0.000 0.269 159 N C -0.185 175.301 175.510 -0.040 0.000 1.073 159 N CA 0.527 53.541 53.050 -0.060 0.000 0.748 159 N CB -0.877 37.583 38.487 -0.045 0.000 0.894 159 N HN 0.441 nan 8.380 nan 0.000 0.548 160 L N -0.413 120.792 121.223 -0.031 0.000 2.781 160 L HA 0.156 4.495 4.340 -0.001 0.000 0.245 160 L C 2.237 179.133 176.870 0.044 0.000 1.118 160 L CA -0.273 54.569 54.840 0.002 0.000 0.918 160 L CB 0.103 42.170 42.059 0.014 0.000 1.246 160 L HN 0.253 nan 8.230 nan 0.000 0.526 161 R N 0.853 121.379 120.500 0.044 0.000 2.159 161 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 161 R C 0.891 177.312 176.300 0.200 0.000 1.131 161 R CA 1.596 57.765 56.100 0.115 0.000 0.982 161 R CB -0.037 30.281 30.300 0.030 0.000 0.868 161 R HN 0.310 nan 8.270 nan 0.000 0.453 162 D N 0.333 120.800 120.400 0.112 0.000 2.269 162 D HA -0.060 4.579 4.640 -0.001 0.000 0.208 162 D C 1.233 177.566 176.300 0.055 0.000 0.963 162 D CA 1.048 55.109 54.000 0.102 0.000 0.864 162 D CB 0.255 41.084 40.800 0.049 0.000 0.936 162 D HN 0.381 nan 8.370 nan 0.000 0.505 163 K N -0.775 119.646 120.400 0.036 0.000 2.329 163 K HA 0.254 4.573 4.320 -0.001 0.000 0.198 163 K C 0.489 177.060 176.600 -0.050 0.000 1.085 163 K CA 0.265 56.537 56.287 -0.024 0.000 0.961 163 K CB 1.268 33.752 32.500 -0.026 0.000 0.971 163 K HN -0.044 nan 8.250 nan 0.000 0.502 164 L N 0.781 122.023 121.223 0.032 0.000 2.408 164 L HA 0.422 4.761 4.340 -0.001 0.000 0.268 164 L C -1.328 175.687 176.870 0.242 0.000 0.986 164 L CA -1.004 53.855 54.840 0.031 0.000 0.820 164 L CB 1.599 43.665 42.059 0.011 0.000 1.303 164 L HN -0.039 nan 8.230 nan 0.000 0.411 165 W N 2.551 123.781 121.300 -0.117 0.000 2.647 165 W HA 0.674 5.333 4.660 -0.001 0.000 0.353 165 W C -0.171 176.288 176.519 -0.099 0.000 1.080 165 W CA -0.900 56.383 57.345 -0.103 0.000 1.208 165 W CB 1.067 30.446 29.460 -0.136 0.000 1.396 165 W HN 0.204 nan 8.180 nan 0.000 0.573 166 L N 1.444 122.757 121.223 0.149 0.000 2.472 166 L HA 0.451 4.791 4.340 -0.001 0.000 0.256 166 L C -0.022 176.898 176.870 0.085 0.000 1.111 166 L CA -0.643 54.255 54.840 0.097 0.000 0.800 166 L CB 0.796 42.917 42.059 0.103 0.000 1.286 166 L HN 0.242 nan 8.230 nan 0.000 0.479 167 D N 0.808 121.269 120.400 0.100 0.000 2.575 167 D HA 0.416 5.056 4.640 -0.001 0.000 0.250 167 D C -1.336 175.005 176.300 0.068 0.000 1.279 167 D CA -0.170 53.907 54.000 0.129 0.000 0.925 167 D CB 2.008 42.955 40.800 0.245 0.000 1.261 167 D HN 0.276 nan 8.370 nan 0.000 0.567 168 V N 1.805 121.694 119.914 -0.042 0.000 2.715 168 V HA 0.760 4.880 4.120 -0.001 0.000 0.310 168 V C -2.619 173.369 176.094 -0.176 0.000 1.054 168 V CA -1.906 60.194 62.300 -0.333 0.000 0.928 168 V CB 1.680 33.301 31.823 -0.336 0.000 1.007 168 V HN 0.331 nan 8.190 nan 0.000 0.437 169 P HA 0.290 nan 4.420 nan 0.000 0.289 169 P C 0.058 177.395 177.300 0.061 0.000 1.299 169 P CA -0.032 63.066 63.100 -0.003 0.000 0.766 169 P CB 0.784 32.488 31.700 0.006 0.000 1.226 170 D N -1.191 119.310 120.400 0.169 0.000 2.190 170 D HA -0.059 4.581 4.640 -0.001 0.000 0.200 170 D C 0.563 176.822 176.300 -0.068 0.000 0.992 170 D CA 1.412 55.429 54.000 0.029 0.000 0.854 170 D CB -0.203 40.631 40.800 0.056 0.000 0.936 170 D HN 0.262 nan 8.370 nan 0.000 0.462 171 L N -0.987 120.217 121.223 -0.031 0.000 2.346 171 L HA 0.471 4.811 4.340 -0.001 0.000 0.274 171 L C 1.531 178.392 176.870 -0.016 0.000 1.007 171 L CA -0.717 54.083 54.840 -0.067 0.000 0.818 171 L CB 2.244 44.328 42.059 0.042 0.000 1.284 171 L HN -0.208 nan 8.230 nan 0.000 0.424 172 G N 0.926 109.609 108.800 -0.194 0.000 2.920 172 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.208 172 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.208 172 G C 1.128 176.329 174.900 0.502 0.000 1.159 172 G CA 0.559 45.682 45.100 0.039 0.000 0.784 172 G HN 0.862 nan 8.290 nan 0.000 0.535 173 G N 0.239 109.482 108.800 0.738 0.000 2.880 173 G HA2 0.363 4.323 3.960 -0.001 0.000 0.209 173 G HA3 0.363 4.323 3.960 -0.001 0.000 0.209 173 G C 0.919 176.030 174.900 0.352 0.000 1.157 173 G CA 0.428 45.868 45.100 0.567 0.000 0.779 173 G HN 0.555 nan 8.290 nan 0.000 0.539 174 G N -0.048 109.035 108.800 0.471 0.000 2.651 174 G HA2 0.361 4.321 3.960 -0.001 0.000 0.260 174 G HA3 0.361 4.321 3.960 -0.001 0.000 0.260 174 G C 0.072 175.099 174.900 0.212 0.000 1.216 174 G CA 0.155 45.480 45.100 0.376 0.000 0.913 174 G HN 0.253 nan 8.290 nan 0.000 0.535 175 S N -0.893 114.854 115.700 0.079 0.000 2.489 175 S HA 0.176 4.646 4.470 -0.001 0.000 0.277 175 S C 1.494 175.909 174.600 -0.310 0.000 1.230 175 S CA -0.746 57.391 58.200 -0.105 0.000 1.053 175 S CB 1.223 64.401 63.200 -0.037 0.000 0.955 175 S HN 0.372 nan 8.310 nan 0.000 0.488 176 V N 5.841 125.383 119.914 -0.620 0.000 2.332 176 V HA -0.135 3.985 4.120 -0.001 0.000 0.248 176 V C 2.314 178.248 176.094 -0.266 0.000 1.055 176 V CA 2.012 63.873 62.300 -0.732 0.000 1.038 176 V CB -0.899 30.578 31.823 -0.576 0.000 0.651 176 V HN 0.884 nan 8.190 nan 0.000 0.450 177 L N 1.695 122.814 121.223 -0.175 0.000 2.044 177 L HA 0.138 4.477 4.340 -0.001 0.000 0.205 177 L C 2.322 179.180 176.870 -0.021 0.000 1.075 177 L CA 2.573 57.365 54.840 -0.081 0.000 0.747 177 L CB -1.860 40.149 42.059 -0.082 0.000 0.903 177 L HN 0.217 nan 8.230 nan 0.000 0.435 178 G N 0.264 109.051 108.800 -0.022 0.000 2.422 178 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.218 178 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.218 178 G C 1.581 176.526 174.900 0.074 0.000 1.146 178 G CA 0.773 45.880 45.100 0.013 0.000 0.769 178 G HN 0.577 nan 8.290 nan 0.000 0.547 179 N N 1.326 120.106 118.700 0.134 0.000 2.216 179 N HA -0.035 4.704 4.740 -0.001 0.000 0.183 179 N C 2.487 178.151 175.510 0.255 0.000 1.017 179 N CA 1.258 54.455 53.050 0.245 0.000 0.861 179 N CB -0.199 38.539 38.487 0.419 0.000 0.986 179 N HN 0.232 nan 8.380 nan 0.000 0.428 180 A N 1.068 124.017 122.820 0.215 0.000 1.898 180 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 180 A C 2.413 180.192 177.584 0.325 0.000 1.181 180 A CA 1.891 54.099 52.037 0.286 0.000 0.620 180 A CB -0.978 18.138 19.000 0.193 0.000 0.819 180 A HN 0.279 nan 8.150 nan 0.000 0.442 181 V N -2.787 117.240 119.914 0.187 0.000 2.759 181 V HA -0.069 4.050 4.120 -0.001 0.000 0.256 181 V C 1.521 177.561 176.094 -0.091 0.000 1.080 181 V CA 2.028 64.357 62.300 0.049 0.000 1.101 181 V CB -0.641 31.183 31.823 0.002 0.000 0.698 181 V HN 0.442 nan 8.190 nan 0.000 0.477 182 E N 0.724 120.912 120.200 -0.020 0.000 2.502 182 E HA 0.105 4.455 4.350 -0.001 0.000 0.194 182 E C 0.401 176.978 176.600 -0.039 0.000 1.062 182 E CA 0.010 56.362 56.400 -0.080 0.000 0.867 182 E CB -0.041 29.633 29.700 -0.044 0.000 0.888 182 E HN 0.716 nan 8.360 nan 0.000 0.510 183 R N -0.381 120.156 120.500 0.062 0.000 3.336 183 R HA -0.150 4.190 4.340 -0.001 0.000 0.260 183 R C 0.659 177.126 176.300 0.279 0.000 1.032 183 R CA 0.383 56.593 56.100 0.183 0.000 0.693 183 R CB -2.451 27.908 30.300 0.099 0.000 1.134 183 R HN 0.136 nan 8.270 nan 0.000 0.433 184 G N -0.080 108.873 108.800 0.254 0.000 2.653 184 G HA2 0.466 4.426 3.960 -0.001 0.000 0.265 184 G HA3 0.466 4.426 3.960 -0.001 0.000 0.265 184 G C -0.077 174.763 174.900 -0.101 0.000 1.237 184 G CA -0.404 44.818 45.100 0.203 0.000 0.946 184 G HN 0.060 nan 8.290 nan 0.000 0.522 185 V N -0.499 119.243 119.914 -0.286 0.000 2.735 185 V HA 0.811 4.931 4.120 -0.001 0.000 0.310 185 V C 0.684 176.248 176.094 -0.884 0.000 1.061 185 V CA -0.016 61.885 62.300 -0.665 0.000 0.913 185 V CB 1.670 33.150 31.823 -0.571 0.000 1.005 185 V HN 1.144 nan 8.190 nan 0.000 0.428 186 G N 1.291 109.415 108.800 -1.126 0.000 2.714 186 G HA2 0.599 4.559 3.960 -0.001 0.000 0.292 186 G HA3 0.599 4.559 3.960 -0.001 0.000 0.292 186 G C -1.224 173.055 174.900 -1.036 0.000 1.308 186 G CA -0.295 44.257 45.100 -0.914 0.000 0.964 186 G HN 0.566 nan 8.290 nan 0.000 0.484 187 Y N -0.243 120.052 120.300 -0.009 0.000 2.612 187 Y HA 0.274 4.824 4.550 -0.001 0.000 0.250 187 Y C 1.691 177.650 175.900 0.098 0.000 1.175 187 Y CA -0.181 57.928 58.100 0.015 0.000 1.205 187 Y CB 0.340 38.789 38.460 -0.017 0.000 1.201 187 Y HN 0.629 nan 8.280 nan 0.000 0.532 188 T N -3.435 111.219 114.554 0.166 0.000 2.892 188 T HA 0.299 4.649 4.350 -0.001 0.000 0.280 188 T C -1.928 172.818 174.700 0.076 0.000 1.004 188 T CA -2.160 60.030 62.100 0.149 0.000 0.950 188 T CB 1.351 70.279 68.868 0.100 0.000 1.309 188 T HN -0.291 nan 8.240 nan 0.000 0.592 189 P HA 0.055 nan 4.420 nan 0.000 0.226 189 P C 0.049 177.460 177.300 0.185 0.000 1.153 189 P CA 0.729 63.865 63.100 0.059 0.000 0.777 189 P CB -0.177 31.518 31.700 -0.008 0.000 0.794 190 Y N -0.924 119.373 120.300 -0.004 0.000 2.645 190 Y HA 0.359 4.908 4.550 -0.001 0.000 0.307 190 Y C 2.108 178.066 175.900 0.097 0.000 1.151 190 Y CA -0.572 57.570 58.100 0.069 0.000 1.291 190 Y CB -0.927 37.593 38.460 0.100 0.000 1.135 190 Y HN -0.065 nan 8.280 nan 0.000 0.523 191 G N -0.825 108.037 108.800 0.103 0.000 2.484 191 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 191 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 191 G C 0.546 175.310 174.900 -0.228 0.000 1.130 191 G CA 0.278 45.319 45.100 -0.099 0.000 0.784 191 G HN 0.208 nan 8.290 nan 0.000 0.543 192 D N -0.025 120.333 120.400 -0.071 0.000 2.470 192 D HA 0.131 4.771 4.640 -0.001 0.000 0.226 192 D C 1.174 177.539 176.300 0.110 0.000 1.196 192 D CA -0.292 53.687 54.000 -0.035 0.000 0.979 192 D CB -0.266 40.543 40.800 0.016 0.000 1.059 192 D HN 0.465 nan 8.370 nan 0.000 0.515 193 H N 1.957 121.074 119.070 0.077 0.000 2.319 193 H HA -0.171 4.385 4.556 -0.001 0.000 0.297 193 H C 1.781 177.188 175.328 0.132 0.000 1.097 193 H CA 0.952 57.069 56.048 0.114 0.000 1.285 193 H CB 0.163 30.014 29.762 0.149 0.000 1.368 193 H HN 0.575 nan 8.280 nan 0.000 0.495 194 W N 1.372 122.770 121.300 0.163 0.000 2.338 194 W HA -0.208 4.451 4.660 -0.001 0.000 0.304 194 W C 1.382 177.997 176.519 0.159 0.000 1.212 194 W CA 1.033 58.446 57.345 0.114 0.000 1.264 194 W CB -0.018 29.483 29.460 0.070 0.000 1.142 194 W HN 0.218 nan 8.180 nan 0.000 0.512 195 M N 0.216 119.842 119.600 0.043 0.000 2.630 195 M HA -0.133 4.346 4.480 -0.001 0.000 0.254 195 M C 1.300 177.431 176.300 -0.282 0.000 1.092 195 M CA 1.003 56.238 55.300 -0.108 0.000 1.087 195 M CB -0.740 31.883 32.600 0.038 0.000 1.453 195 M HN -0.001 nan 8.290 nan 0.000 0.509 196 M N -0.941 118.510 119.600 -0.249 0.000 2.428 196 M HA 0.076 4.556 4.480 -0.001 0.000 0.239 196 M C 0.562 176.345 176.300 -0.861 0.000 1.121 196 M CA 0.184 55.277 55.300 -0.345 0.000 1.019 196 M CB -1.527 31.096 32.600 0.038 0.000 1.485 196 M HN 0.295 nan 8.290 nan 0.000 0.484 197 H N -1.210 117.326 119.070 -0.891 0.000 2.547 197 H HA 0.522 5.077 4.556 -0.001 0.000 0.362 197 H C -0.553 174.125 175.328 -1.083 0.000 1.181 197 H CA -0.417 55.090 56.048 -0.901 0.000 1.376 197 H CB 1.013 30.279 29.762 -0.827 0.000 1.488 197 H HN 0.003 nan 8.280 nan 0.000 0.583 198 S N 2.312 117.472 115.700 -0.901 0.000 2.599 198 S HA 0.481 4.951 4.470 -0.001 0.000 0.269 198 S C -0.736 173.724 174.600 -0.233 0.000 1.135 198 S CA -0.002 57.789 58.200 -0.682 0.000 1.027 198 S CB -0.247 62.588 63.200 -0.608 0.000 1.129 198 S HN 1.790 nan 8.310 nan 0.000 0.458 199 G N 5.036 113.786 108.800 -0.083 0.000 3.292 199 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.636 199 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.636 199 G C -0.620 174.327 174.900 0.079 0.000 1.069 199 G CA -0.037 45.065 45.100 0.003 0.000 0.890 199 G HN 1.341 nan 8.290 nan 0.000 0.427 200 M N 0.567 120.324 119.600 0.262 0.000 2.591 200 M HA 0.862 5.341 4.480 -0.001 0.000 0.306 200 M C -0.481 176.022 176.300 0.338 0.000 1.190 200 M CA -1.135 54.310 55.300 0.242 0.000 0.889 200 M CB 2.633 35.287 32.600 0.089 0.000 1.728 200 M HN 0.402 nan 8.290 nan 0.000 0.458 201 E N 1.722 122.088 120.200 0.276 0.000 2.171 201 E HA 0.680 5.030 4.350 -0.001 0.000 0.271 201 E C -1.916 174.635 176.600 -0.082 0.000 0.916 201 E CA -0.812 55.641 56.400 0.088 0.000 0.774 201 E CB 2.220 31.981 29.700 0.102 0.000 1.128 201 E HN 0.659 nan 8.360 nan 0.000 0.403 202 V N 4.109 123.910 119.914 -0.189 0.000 2.841 202 V HA 0.279 4.399 4.120 -0.001 0.000 0.310 202 V C -0.623 175.352 176.094 -0.199 0.000 1.090 202 V CA -0.920 61.205 62.300 -0.292 0.000 0.930 202 V CB 2.155 33.587 31.823 -0.652 0.000 1.014 202 V HN 0.530 nan 8.190 nan 0.000 0.425 203 V N 5.785 125.605 119.914 -0.157 0.000 2.348 203 V HA 0.364 4.484 4.120 -0.001 0.000 0.270 203 V C 0.276 176.319 176.094 -0.086 0.000 1.037 203 V CA -0.268 61.971 62.300 -0.102 0.000 0.872 203 V CB 0.975 32.753 31.823 -0.075 0.000 1.002 203 V HN 0.603 nan 8.190 nan 0.000 0.464 204 L N 3.627 124.817 121.223 -0.055 0.000 2.476 204 L HA 0.295 4.635 4.340 -0.001 0.000 0.255 204 L C 1.915 178.787 176.870 0.002 0.000 1.218 204 L CA 0.073 54.909 54.840 -0.006 0.000 0.819 204 L CB 0.270 42.341 42.059 0.021 0.000 1.119 204 L HN 0.689 nan 8.230 nan 0.000 0.485 205 A N 1.237 124.069 122.820 0.020 0.000 2.019 205 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 205 A C 1.670 179.270 177.584 0.025 0.000 1.164 205 A CA 1.706 53.756 52.037 0.022 0.000 0.644 205 A CB -0.811 18.203 19.000 0.024 0.000 0.805 205 A HN 0.939 nan 8.150 nan 0.000 0.449 206 N N -1.174 117.538 118.700 0.020 0.000 2.461 206 N HA 0.219 4.959 4.740 -0.001 0.000 0.188 206 N C 1.032 176.549 175.510 0.012 0.000 1.134 206 N CA 1.218 54.279 53.050 0.018 0.000 0.878 206 N CB -0.417 38.079 38.487 0.015 0.000 0.972 206 N HN 0.760 nan 8.380 nan 0.000 0.456 207 G N -0.732 108.071 108.800 0.005 0.000 2.176 207 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.253 207 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.253 207 G C -0.498 174.392 174.900 -0.017 0.000 0.979 207 G CA 0.163 45.260 45.100 -0.005 0.000 0.641 207 G HN 0.525 nan 8.290 nan 0.000 0.530 208 E N -0.268 119.922 120.200 -0.016 0.000 2.313 208 E HA 0.617 4.966 4.350 -0.001 0.000 0.272 208 E C 0.387 176.962 176.600 -0.042 0.000 1.038 208 E CA -0.690 55.695 56.400 -0.024 0.000 0.863 208 E CB 1.426 31.117 29.700 -0.014 0.000 1.060 208 E HN 0.257 nan 8.360 nan 0.000 0.402 209 L N 3.151 124.342 121.223 -0.054 0.000 2.326 209 L HA 0.427 4.766 4.340 -0.001 0.000 0.278 209 L C -0.473 176.350 176.870 -0.078 0.000 1.092 209 L CA -0.334 54.459 54.840 -0.079 0.000 0.810 209 L CB 0.619 42.623 42.059 -0.092 0.000 1.153 209 L HN 0.363 nan 8.230 nan 0.000 0.439 210 L N 3.717 124.883 121.223 -0.096 0.000 2.422 210 L HA 0.605 4.944 4.340 -0.001 0.000 0.264 210 L C -1.252 175.562 176.870 -0.093 0.000 0.984 210 L CA -0.680 54.115 54.840 -0.074 0.000 0.819 210 L CB 1.680 43.717 42.059 -0.036 0.000 1.330 210 L HN 0.521 nan 8.230 nan 0.000 0.410 211 R N 2.253 122.715 120.500 -0.064 0.000 2.534 211 R HA 0.477 4.817 4.340 -0.001 0.000 0.301 211 R C -0.551 175.809 176.300 0.100 0.000 0.961 211 R CA -0.633 55.454 56.100 -0.022 0.000 0.871 211 R CB 1.628 31.813 30.300 -0.191 0.000 1.170 211 R HN 0.780 nan 8.270 nan 0.000 0.446 212 T N -1.479 113.189 114.554 0.190 0.000 2.874 212 T HA 0.578 4.928 4.350 -0.001 0.000 0.281 212 T C 1.030 175.863 174.700 0.223 0.000 0.994 212 T CA 0.300 62.533 62.100 0.222 0.000 1.015 212 T CB 1.523 70.555 68.868 0.272 0.000 1.028 212 T HN 0.767 nan 8.240 nan 0.000 0.523 213 G N 1.559 110.494 108.800 0.225 0.000 2.583 213 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.292 213 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.292 213 G C 0.913 175.912 174.900 0.165 0.000 1.203 213 G CA 0.357 45.566 45.100 0.181 0.000 0.987 213 G HN 0.750 nan 8.290 nan 0.000 0.554 214 M N 2.144 121.826 119.600 0.137 0.000 2.630 214 M HA 0.046 4.526 4.480 -0.001 0.000 0.254 214 M C 2.688 179.066 176.300 0.130 0.000 1.092 214 M CA 1.666 57.050 55.300 0.140 0.000 1.087 214 M CB -1.407 31.279 32.600 0.142 0.000 1.453 214 M HN 0.747 nan 8.290 nan 0.000 0.509 215 G N -0.155 108.754 108.800 0.182 0.000 2.509 215 G HA2 0.015 3.974 3.960 -0.001 0.000 0.218 215 G HA3 0.015 3.974 3.960 -0.001 0.000 0.218 215 G C 1.512 176.464 174.900 0.087 0.000 1.124 215 G CA 0.847 46.110 45.100 0.272 0.000 0.776 215 G HN 0.538 nan 8.290 nan 0.000 0.547 216 A N -0.382 122.495 122.820 0.095 0.000 2.169 216 A HA 0.356 4.676 4.320 -0.001 0.000 0.212 216 A C 1.049 178.658 177.584 0.042 0.000 1.153 216 A CA 0.065 52.136 52.037 0.057 0.000 0.756 216 A CB 0.005 19.061 19.000 0.093 0.000 0.813 216 A HN 0.314 nan 8.150 nan 0.000 0.471 217 L N 2.408 123.666 121.223 0.057 0.000 2.295 217 L HA 0.337 4.676 4.340 -0.001 0.000 0.288 217 L C -2.576 174.308 176.870 0.023 0.000 1.079 217 L CA -2.101 52.763 54.840 0.040 0.000 0.830 217 L CB 0.775 42.869 42.059 0.058 0.000 1.200 217 L HN 0.025 nan 8.230 nan 0.000 0.438 218 P HA 0.054 nan 4.420 nan 0.000 0.271 218 P C -0.727 176.575 177.300 0.003 0.000 1.216 218 P CA -0.325 62.765 63.100 -0.017 0.000 0.776 218 P CB 0.751 32.434 31.700 -0.027 0.000 0.881 219 D N 3.465 123.869 120.400 0.007 0.000 2.417 219 D HA 0.128 4.768 4.640 -0.001 0.000 0.250 219 D C -1.867 174.440 176.300 0.012 0.000 1.166 219 D CA -1.203 52.814 54.000 0.027 0.000 0.881 219 D CB -0.435 40.393 40.800 0.045 0.000 1.164 219 D HN 0.173 nan 8.370 nan 0.000 0.467 220 P HA -0.001 nan 4.420 nan 0.000 0.265 220 P C -0.485 176.818 177.300 0.006 0.000 1.187 220 P CA 0.066 63.170 63.100 0.008 0.000 0.766 220 P CB 0.383 32.089 31.700 0.010 0.000 0.820 221 K N 2.801 123.202 120.400 0.001 0.000 2.485 221 K HA 0.114 4.434 4.320 -0.001 0.000 0.277 221 K C 0.728 177.331 176.600 0.004 0.000 0.990 221 K CA 0.467 56.754 56.287 0.000 0.000 0.994 221 K CB 0.264 32.762 32.500 -0.003 0.000 0.906 221 K HN 0.574 nan 8.250 nan 0.000 0.488 222 R N 2.004 122.507 120.500 0.005 0.000 2.680 222 R HA 0.261 4.601 4.340 -0.001 0.000 0.269 222 R C -2.671 173.633 176.300 0.006 0.000 1.026 222 R CA -1.619 54.485 56.100 0.008 0.000 0.889 222 R CB 1.041 31.349 30.300 0.013 0.000 1.241 222 R HN 0.181 nan 8.270 nan 0.000 0.463 223 P HA -0.173 nan 4.420 nan 0.000 0.215 223 P C 0.296 177.599 177.300 0.006 0.000 1.157 223 P CA 1.374 64.477 63.100 0.005 0.000 0.874 223 P CB 0.196 31.899 31.700 0.005 0.000 0.790 224 E N -0.982 119.224 120.200 0.009 0.000 2.204 224 E HA -0.120 4.229 4.350 -0.001 0.000 0.195 224 E C 1.689 178.296 176.600 0.011 0.000 0.990 224 E CA 1.801 58.208 56.400 0.011 0.000 0.821 224 E CB -1.241 28.468 29.700 0.016 0.000 0.750 224 E HN 0.424 nan 8.360 nan 0.000 0.477 225 T N -2.403 112.157 114.554 0.010 0.000 3.069 225 T HA 0.201 4.551 4.350 -0.001 0.000 0.252 225 T C 0.608 175.308 174.700 -0.001 0.000 1.053 225 T CA -0.410 61.694 62.100 0.007 0.000 0.964 225 T CB 0.043 68.918 68.868 0.012 0.000 1.005 225 T HN -0.167 nan 8.240 nan 0.000 0.532 226 M N 1.949 121.548 119.600 -0.001 0.000 2.249 226 M HA 0.342 4.821 4.480 -0.001 0.000 0.340 226 M C 1.824 178.119 176.300 -0.008 0.000 1.166 226 M CA 0.959 56.255 55.300 -0.005 0.000 1.115 226 M CB -0.758 31.839 32.600 -0.004 0.000 1.606 226 M HN 0.596 nan 8.290 nan 0.000 0.448 227 G N 2.601 111.394 108.800 -0.012 0.000 2.189 227 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.267 227 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.267 227 G C 0.104 174.995 174.900 -0.016 0.000 0.975 227 G CA 0.037 45.129 45.100 -0.013 0.000 0.644 227 G HN 0.601 nan 8.290 nan 0.000 0.537 228 L N 0.653 121.865 121.223 -0.018 0.000 2.439 228 L HA 0.305 4.645 4.340 -0.001 0.000 0.269 228 L C 1.262 178.114 176.870 -0.031 0.000 1.179 228 L CA -0.449 54.378 54.840 -0.021 0.000 0.828 228 L CB 0.486 42.533 42.059 -0.019 0.000 1.106 228 L HN 0.046 nan 8.230 nan 0.000 0.467 229 K N 3.019 123.400 120.400 -0.032 0.000 2.380 229 K HA 0.047 4.367 4.320 -0.001 0.000 0.267 229 K C -1.571 174.995 176.600 -0.058 0.000 0.990 229 K CA -1.309 54.954 56.287 -0.040 0.000 0.946 229 K CB 0.371 32.849 32.500 -0.036 0.000 0.937 229 K HN 0.288 nan 8.250 nan 0.000 0.491 230 P HA -0.288 nan 4.420 nan 0.000 0.215 230 P C 1.034 178.257 177.300 -0.129 0.000 1.163 230 P CA 1.634 64.673 63.100 -0.101 0.000 0.894 230 P CB 0.012 31.655 31.700 -0.095 0.000 0.791 231 E N -0.403 119.735 120.200 -0.103 0.000 2.130 231 E HA -0.226 4.124 4.350 -0.001 0.000 0.196 231 E C 0.814 177.372 176.600 -0.070 0.000 0.998 231 E CA 1.448 57.794 56.400 -0.090 0.000 0.806 231 E CB -1.043 28.623 29.700 -0.057 0.000 0.738 231 E HN 0.329 nan 8.360 nan 0.000 0.459 232 D N 0.833 121.200 120.400 -0.055 0.000 2.349 232 D HA 0.049 4.689 4.640 -0.001 0.000 0.214 232 D C 0.219 176.501 176.300 -0.031 0.000 1.063 232 D CA 0.170 54.155 54.000 -0.024 0.000 0.847 232 D CB 0.167 40.959 40.800 -0.014 0.000 0.933 232 D HN 0.274 nan 8.370 nan 0.000 0.513 233 Q N 1.782 121.534 119.800 -0.081 0.000 2.394 233 Q HA 0.210 4.549 4.340 -0.001 0.000 0.248 233 Q C -2.022 173.930 176.000 -0.080 0.000 0.992 233 Q CA -1.246 54.508 55.803 -0.082 0.000 0.888 233 Q CB 0.662 29.329 28.738 -0.118 0.000 1.257 233 Q HN 0.079 nan 8.270 nan 0.000 0.462 234 P HA 0.119 nan 4.420 nan 0.000 0.277 234 P C -1.274 176.081 177.300 0.092 0.000 1.271 234 P CA -0.312 62.872 63.100 0.141 0.000 0.795 234 P CB 0.568 32.355 31.700 0.145 0.000 1.101 235 W N -0.426 120.906 121.300 0.053 0.000 2.578 235 W HA 0.413 5.073 4.660 -0.001 0.000 0.353 235 W C 0.729 177.243 176.519 -0.009 0.000 1.088 235 W CA -0.164 57.183 57.345 0.004 0.000 1.235 235 W CB 0.288 29.729 29.460 -0.031 0.000 1.362 235 W HN 0.297 nan 8.180 nan 0.000 0.592 236 S N 0.719 116.533 115.700 0.191 0.000 2.624 236 S HA 0.141 4.610 4.470 -0.001 0.000 0.263 236 S C 1.212 175.872 174.600 0.100 0.000 1.287 236 S CA -0.361 57.907 58.200 0.114 0.000 0.990 236 S CB 0.938 64.181 63.200 0.072 0.000 0.950 236 S HN 0.636 nan 8.310 nan 0.000 0.561 237 K N 0.304 120.754 120.400 0.082 0.000 2.089 237 K HA -0.158 4.162 4.320 -0.001 0.000 0.210 237 K C 1.222 177.855 176.600 0.055 0.000 1.048 237 K CA 1.620 57.955 56.287 0.080 0.000 0.926 237 K CB -0.631 31.907 32.500 0.064 0.000 0.714 237 K HN 0.610 nan 8.250 nan 0.000 0.448 238 I N 1.146 121.738 120.570 0.037 0.000 3.793 238 I HA 0.097 4.267 4.170 -0.001 0.000 0.315 238 I C 2.365 178.469 176.117 -0.021 0.000 1.275 238 I CA 0.390 61.709 61.300 0.032 0.000 1.214 238 I CB -0.984 37.053 38.000 0.061 0.000 1.018 238 I HN 0.211 nan 8.210 nan 0.000 0.439 239 A N 1.330 124.080 122.820 -0.117 0.000 1.903 239 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 239 A C 1.658 178.909 177.584 -0.555 0.000 1.191 239 A CA 1.909 53.761 52.037 -0.308 0.000 0.638 239 A CB -1.091 17.643 19.000 -0.444 0.000 0.823 239 A HN 0.602 nan 8.150 nan 0.000 0.451 240 H N -1.659 117.193 119.070 -0.364 0.000 2.487 240 H HA 0.495 5.050 4.556 -0.001 0.000 0.290 240 H C 0.908 176.105 175.328 -0.219 0.000 1.081 240 H CA -0.115 55.591 56.048 -0.570 0.000 1.116 240 H CB 0.256 29.226 29.762 -1.318 0.000 1.560 240 H HN 0.365 nan 8.280 nan 0.000 0.548 241 L N -0.901 120.360 121.223 0.063 0.000 2.717 241 L HA 0.228 4.567 4.340 -0.001 0.000 0.239 241 L C -0.506 176.532 176.870 0.280 0.000 1.086 241 L CA 0.034 54.986 54.840 0.188 0.000 0.897 241 L CB 0.892 43.003 42.059 0.087 0.000 1.214 241 L HN 0.143 nan 8.230 nan 0.000 0.508 242 F N 2.225 122.203 119.950 0.046 0.000 2.671 242 F HA 0.460 4.986 4.527 -0.001 0.000 0.332 242 F C -2.235 173.504 175.800 -0.101 0.000 1.189 242 F CA -2.339 55.641 58.000 -0.033 0.000 0.988 242 F CB 1.797 40.765 39.000 -0.054 0.000 1.258 242 F HN -0.267 nan 8.300 nan 0.000 0.471 243 P HA -0.141 nan 4.420 nan 0.000 0.220 243 P C 1.078 178.035 177.300 -0.572 0.000 1.152 243 P CA 1.362 64.104 63.100 -0.596 0.000 0.812 243 P CB 0.178 31.442 31.700 -0.728 0.000 0.792 244 Y N 0.562 120.219 120.300 -1.073 0.000 2.242 244 Y HA 0.095 4.645 4.550 -0.001 0.000 0.291 244 Y C 2.299 177.994 175.900 -0.342 0.000 1.137 244 Y CA 0.497 58.044 58.100 -0.920 0.000 1.181 244 Y CB -1.498 36.352 38.460 -1.017 0.000 0.989 244 Y HN 0.093 nan 8.280 nan 0.000 0.527 245 G N 0.405 109.191 108.800 -0.023 0.000 2.556 245 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.283 245 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.283 245 G C -0.531 174.588 174.900 0.366 0.000 1.177 245 G CA 0.362 45.612 45.100 0.250 0.000 0.978 245 G HN 0.391 nan 8.290 nan 0.000 0.554 246 F N 0.952 120.989 119.950 0.144 0.000 2.588 246 F HA 0.627 5.153 4.527 -0.001 0.000 0.310 246 F C 0.723 176.580 175.800 0.095 0.000 1.082 246 F CA 1.433 59.505 58.000 0.120 0.000 0.929 246 F CB 1.503 40.566 39.000 0.105 0.000 1.254 246 F HN 2.419 nan 8.300 nan 0.000 0.455 247 G N 3.749 112.013 108.800 -0.892 0.000 2.642 247 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.231 247 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.231 247 G C -2.787 172.001 174.900 -0.188 0.000 1.338 247 G CA -0.713 44.057 45.100 -0.550 0.000 0.883 247 G HN 0.682 nan 8.290 nan 0.000 0.570 248 P HA 0.278 nan 4.420 nan 0.000 0.264 248 P C -0.677 176.696 177.300 0.121 0.000 1.183 248 P CA 0.132 63.240 63.100 0.014 0.000 0.763 248 P CB 0.201 31.914 31.700 0.021 0.000 0.807 249 Y N 4.674 124.964 120.300 -0.016 0.000 2.751 249 Y HA 0.242 4.792 4.550 -0.001 0.000 0.333 249 Y C 1.190 177.141 175.900 0.084 0.000 1.122 249 Y CA -1.170 56.957 58.100 0.044 0.000 1.367 249 Y CB -0.540 37.932 38.460 0.019 0.000 1.242 249 Y HN 0.344 nan 8.280 nan 0.000 0.505 250 I N -0.683 119.918 120.570 0.051 0.000 3.578 250 I HA 0.043 4.213 4.170 -0.001 0.000 0.295 250 I C 0.842 176.904 176.117 -0.092 0.000 1.280 250 I CA 0.526 61.797 61.300 -0.050 0.000 1.347 250 I CB 0.106 38.124 38.000 0.030 0.000 1.051 250 I HN 0.209 nan 8.210 nan 0.000 0.460 251 D N 2.883 123.241 120.400 -0.071 0.000 2.149 251 D HA -0.177 4.462 4.640 -0.001 0.000 0.194 251 D C 2.362 178.786 176.300 0.208 0.000 1.001 251 D CA 2.010 56.122 54.000 0.187 0.000 0.849 251 D CB -0.499 40.433 40.800 0.221 0.000 0.939 251 D HN 0.540 nan 8.370 nan 0.000 0.449 252 G N 0.283 109.091 108.800 0.013 0.000 2.479 252 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.220 252 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.220 252 G C 1.443 176.158 174.900 -0.308 0.000 1.115 252 G CA 0.242 45.272 45.100 -0.116 0.000 0.757 252 G HN 0.283 nan 8.290 nan 0.000 0.560 253 L N -0.708 120.283 121.223 -0.387 0.000 2.456 253 L HA 0.105 4.445 4.340 -0.001 0.000 0.224 253 L C 1.331 177.807 176.870 -0.657 0.000 1.148 253 L CA 0.331 54.843 54.840 -0.547 0.000 0.825 253 L CB -0.189 41.432 42.059 -0.729 0.000 0.937 253 L HN 0.138 nan 8.230 nan 0.000 0.450 254 F N -0.594 119.250 119.950 -0.176 0.000 2.639 254 F HA 0.127 4.653 4.527 -0.001 0.000 0.300 254 F C 1.058 176.666 175.800 -0.319 0.000 1.109 254 F CA -0.626 57.264 58.000 -0.184 0.000 1.335 254 F CB -0.171 38.784 39.000 -0.075 0.000 1.014 254 F HN -0.074 nan 8.300 nan 0.000 0.537 255 S N -0.553 114.893 115.700 -0.423 0.000 2.473 255 S HA 0.387 4.857 4.470 -0.001 0.000 0.307 255 S C -0.014 174.328 174.600 -0.430 0.000 1.094 255 S CA -0.637 57.195 58.200 -0.614 0.000 1.070 255 S CB 1.653 64.076 63.200 -1.294 0.000 1.019 255 S HN 0.333 nan 8.310 nan 0.000 0.480 256 Q N 0.165 119.763 119.800 -0.337 0.000 2.468 256 Q HA -0.187 4.153 4.340 -0.001 0.000 0.289 256 Q C -0.056 175.791 176.000 -0.255 0.000 1.299 256 Q CA 1.065 56.700 55.803 -0.280 0.000 0.838 256 Q CB -2.386 26.186 28.738 -0.276 0.000 1.195 256 Q HN 1.089 nan 8.270 nan 0.000 0.456 257 S N -0.759 114.792 115.700 -0.249 0.000 2.720 257 S HA 0.654 5.123 4.470 -0.001 0.000 0.287 257 S C -0.019 174.441 174.600 -0.233 0.000 1.168 257 S CA -0.426 57.635 58.200 -0.233 0.000 0.832 257 S CB 1.274 64.335 63.200 -0.231 0.000 1.166 257 S HN 0.283 nan 8.310 nan 0.000 0.493 258 N N -0.257 118.312 118.700 -0.218 0.000 2.389 258 N HA 0.227 4.966 4.740 -0.001 0.000 0.260 258 N C 0.331 175.768 175.510 -0.123 0.000 1.191 258 N CA -0.452 52.475 53.050 -0.205 0.000 0.885 258 N CB 0.007 38.357 38.487 -0.229 0.000 1.162 258 N HN 0.466 nan 8.380 nan 0.000 0.512 259 M N -0.535 119.021 119.600 -0.072 0.000 2.556 259 M HA 0.343 4.822 4.480 -0.001 0.000 0.245 259 M C 0.591 177.005 176.300 0.189 0.000 1.128 259 M CA 0.170 55.472 55.300 0.004 0.000 1.069 259 M CB -0.220 32.290 32.600 -0.151 0.000 1.469 259 M HN 0.373 nan 8.290 nan 0.000 0.494 260 G N 0.246 109.134 108.800 0.148 0.000 2.451 260 G HA2 0.503 4.463 3.960 -0.001 0.000 0.292 260 G HA3 0.503 4.463 3.960 -0.001 0.000 0.292 260 G C -1.648 173.214 174.900 -0.064 0.000 1.427 260 G CA -0.843 44.293 45.100 0.060 0.000 0.792 260 G HN 0.107 nan 8.290 nan 0.000 0.498 261 I N 1.240 121.740 120.570 -0.117 0.000 2.354 261 I HA 0.318 4.487 4.170 -0.001 0.000 0.286 261 I C 0.017 176.044 176.117 -0.149 0.000 1.007 261 I CA -0.920 60.304 61.300 -0.126 0.000 1.167 261 I CB 1.727 39.667 38.000 -0.100 0.000 1.320 261 I HN 0.139 nan 8.210 nan 0.000 0.458 262 V N 5.624 125.453 119.914 -0.141 0.000 2.488 262 V HA 0.093 4.213 4.120 -0.001 0.000 0.277 262 V C 1.242 177.285 176.094 -0.086 0.000 1.046 262 V CA 0.149 62.372 62.300 -0.127 0.000 0.986 262 V CB 1.028 32.795 31.823 -0.094 0.000 0.989 262 V HN 0.932 nan 8.190 nan 0.000 0.475 263 T N 1.237 115.753 114.554 -0.064 0.000 2.969 263 T HA 0.331 4.681 4.350 -0.001 0.000 0.250 263 T C 0.421 175.123 174.700 0.003 0.000 1.021 263 T CA -0.034 62.044 62.100 -0.035 0.000 1.003 263 T CB 0.345 69.192 68.868 -0.035 0.000 1.040 263 T HN 0.542 nan 8.240 nan 0.000 0.492 264 K N 0.065 120.491 120.400 0.042 0.000 2.551 264 K HA 0.752 5.071 4.320 -0.001 0.000 0.269 264 K C -1.964 174.667 176.600 0.053 0.000 0.949 264 K CA -0.781 55.556 56.287 0.082 0.000 0.849 264 K CB 3.020 35.677 32.500 0.262 0.000 1.411 264 K HN 0.183 nan 8.250 nan 0.000 0.432 265 I N 0.163 120.701 120.570 -0.053 0.000 2.775 265 I HA 0.416 4.585 4.170 -0.001 0.000 0.295 265 I C -1.046 174.908 176.117 -0.272 0.000 1.287 265 I CA -0.423 60.806 61.300 -0.118 0.000 1.029 265 I CB 2.065 40.011 38.000 -0.089 0.000 1.282 265 I HN 0.737 nan 8.210 nan 0.000 0.426 266 G N 7.472 116.052 108.800 -0.366 0.000 2.348 266 G HA2 0.628 4.588 3.960 -0.001 0.000 0.312 266 G HA3 0.628 4.588 3.960 -0.001 0.000 0.312 266 G C -0.968 173.732 174.900 -0.333 0.000 1.126 266 G CA -0.332 44.464 45.100 -0.507 0.000 0.865 266 G HN 0.342 nan 8.290 nan 0.000 0.474 267 I N 1.971 122.411 120.570 -0.216 0.000 2.466 267 I HA 0.295 4.465 4.170 -0.001 0.000 0.289 267 I C -0.723 175.445 176.117 0.084 0.000 1.026 267 I CA -1.349 59.864 61.300 -0.144 0.000 1.078 267 I CB 1.662 39.616 38.000 -0.078 0.000 1.249 267 I HN 0.451 nan 8.210 nan 0.000 0.429 268 W N 6.585 127.930 121.300 0.075 0.000 2.210 268 W HA 0.361 5.020 4.660 -0.001 0.000 0.330 268 W C -0.153 176.519 176.519 0.255 0.000 1.334 268 W CA -0.454 57.003 57.345 0.186 0.000 1.227 268 W CB 0.180 29.749 29.460 0.182 0.000 1.178 268 W HN 0.235 nan 8.180 nan 0.000 0.560 269 L N 4.256 125.697 121.223 0.362 0.000 2.365 269 L HA 0.443 4.783 4.340 -0.001 0.000 0.273 269 L C 0.185 176.899 176.870 -0.260 0.000 1.000 269 L CA -1.066 53.795 54.840 0.035 0.000 0.819 269 L CB 1.942 44.018 42.059 0.028 0.000 1.284 269 L HN 0.247 nan 8.230 nan 0.000 0.418 270 M N 4.593 123.730 119.600 -0.772 0.000 2.188 270 M HA 0.287 4.767 4.480 -0.001 0.000 0.354 270 M C -2.292 173.762 176.300 -0.410 0.000 1.342 270 M CA -1.342 53.450 55.300 -0.846 0.000 1.117 270 M CB 1.149 33.114 32.600 -1.058 0.000 1.670 270 M HN 0.186 nan 8.290 nan 0.000 0.466 271 P HA -0.012 nan 4.420 nan 0.000 0.268 271 P C -0.851 176.156 177.300 -0.488 0.000 1.205 271 P CA -0.163 62.763 63.100 -0.290 0.000 0.771 271 P CB 0.274 31.854 31.700 -0.199 0.000 0.858 272 N N 4.685 123.031 118.700 -0.591 0.000 2.223 272 N HA -0.098 4.642 4.740 -0.001 0.000 0.271 272 N C -1.048 174.076 175.510 -0.644 0.000 1.315 272 N CA -0.500 51.976 53.050 -0.957 0.000 0.835 272 N CB 0.215 38.417 38.487 -0.475 0.000 1.066 272 N HN 0.311 nan 8.380 nan 0.000 0.486 273 P HA 0.064 nan 4.420 nan 0.000 0.237 273 P C 0.385 177.581 177.300 -0.173 0.000 1.178 273 P CA 0.701 63.602 63.100 -0.333 0.000 0.766 273 P CB 0.071 31.641 31.700 -0.216 0.000 0.876 274 G N -0.623 108.072 108.800 -0.174 0.000 2.248 274 G HA2 0.101 4.061 3.960 -0.001 0.000 0.263 274 G HA3 0.101 4.061 3.960 -0.001 0.000 0.263 274 G C 0.285 175.188 174.900 0.005 0.000 1.082 274 G CA -0.263 44.801 45.100 -0.060 0.000 0.863 274 G HN 0.788 nan 8.290 nan 0.000 0.495 275 G N -1.476 107.356 108.800 0.054 0.000 2.277 275 G HA2 0.629 4.588 3.960 -0.001 0.000 0.272 275 G HA3 0.629 4.588 3.960 -0.001 0.000 0.272 275 G C -1.254 173.774 174.900 0.214 0.000 1.692 275 G CA 0.081 45.243 45.100 0.103 0.000 0.926 275 G HN 1.826 nan 8.290 nan 0.000 0.720 276 Y N 1.033 121.346 120.300 0.023 0.000 2.558 276 Y HA 0.775 5.325 4.550 -0.001 0.000 0.333 276 Y C -1.154 174.646 175.900 -0.168 0.000 1.125 276 Y CA -1.129 56.953 58.100 -0.030 0.000 1.039 276 Y CB 2.758 41.343 38.460 0.208 0.000 1.331 276 Y HN 0.868 nan 8.280 nan 0.000 0.456 277 Q N 3.506 122.735 119.800 -0.952 0.000 2.444 277 Q HA 0.464 4.803 4.340 -0.001 0.000 0.239 277 Q C -1.673 173.733 176.000 -0.989 0.000 0.853 277 Q CA -0.442 54.780 55.803 -0.968 0.000 0.856 277 Q CB 1.445 29.698 28.738 -0.809 0.000 1.413 277 Q HN 0.734 nan 8.270 nan 0.000 0.437 278 S N 2.512 117.640 115.700 -0.954 0.000 2.652 278 S HA 0.890 5.360 4.470 -0.001 0.000 0.270 278 S C -0.493 173.958 174.600 -0.249 0.000 1.243 278 S CA -0.204 57.651 58.200 -0.575 0.000 0.999 278 S CB 0.802 63.783 63.200 -0.365 0.000 0.973 278 S HN 0.790 nan 8.310 nan 0.000 0.544 279 Y N -1.086 119.134 120.300 -0.133 0.000 2.656 279 Y HA 0.783 5.333 4.550 -0.001 0.000 0.334 279 Y C -1.768 174.157 175.900 0.042 0.000 1.179 279 Y CA -1.734 56.390 58.100 0.040 0.000 1.050 279 Y CB 0.757 39.217 38.460 -0.001 0.000 1.308 279 Y HN 0.767 nan 8.280 nan 0.000 0.456 280 L N 2.823 124.245 121.223 0.331 0.000 2.410 280 L HA 0.794 5.133 4.340 -0.001 0.000 0.270 280 L C -1.863 175.160 176.870 0.254 0.000 0.983 280 L CA -1.059 53.805 54.840 0.040 0.000 0.822 280 L CB 1.808 43.755 42.059 -0.186 0.000 1.285 280 L HN 0.715 nan 8.230 nan 0.000 0.409 281 I N 3.984 124.629 120.570 0.125 0.000 2.410 281 I HA 0.357 4.527 4.170 -0.001 0.000 0.286 281 I C -0.199 175.888 176.117 -0.049 0.000 1.009 281 I CA -0.594 60.699 61.300 -0.011 0.000 1.111 281 I CB 2.047 39.944 38.000 -0.170 0.000 1.262 281 I HN 0.718 nan 8.210 nan 0.000 0.443 282 T N 5.006 119.530 114.554 -0.049 0.000 2.806 282 T HA 0.639 4.989 4.350 -0.001 0.000 0.290 282 T C -0.384 174.303 174.700 -0.022 0.000 0.966 282 T CA -0.643 61.454 62.100 -0.005 0.000 1.060 282 T CB 1.100 70.003 68.868 0.059 0.000 0.927 282 T HN 0.361 nan 8.240 nan 0.000 0.485 283 L N 4.988 126.239 121.223 0.048 0.000 2.295 283 L HA 0.338 4.678 4.340 -0.001 0.000 0.281 283 L C -1.780 175.138 176.870 0.080 0.000 1.018 283 L CA -2.496 52.394 54.840 0.083 0.000 0.841 283 L CB 1.778 43.942 42.059 0.175 0.000 1.218 283 L HN 0.410 nan 8.230 nan 0.000 0.424 284 P HA -0.107 nan 4.420 nan 0.000 0.215 284 P C 0.036 177.366 177.300 0.049 0.000 1.157 284 P CA 1.297 64.415 63.100 0.030 0.000 0.863 284 P CB 0.229 31.938 31.700 0.014 0.000 0.787 285 K N -0.433 120.015 120.400 0.080 0.000 2.095 285 K HA 0.100 4.420 4.320 -0.001 0.000 0.252 285 K C 0.736 177.455 176.600 0.199 0.000 0.977 285 K CA -0.436 55.911 56.287 0.100 0.000 0.900 285 K CB 0.577 33.125 32.500 0.080 0.000 1.060 285 K HN -0.191 nan 8.250 nan 0.000 0.449 286 D N 1.293 121.811 120.400 0.197 0.000 2.123 286 D HA -0.110 4.530 4.640 -0.001 0.000 0.196 286 D C 1.513 178.056 176.300 0.405 0.000 0.992 286 D CA 1.703 55.916 54.000 0.355 0.000 0.833 286 D CB -0.101 40.873 40.800 0.290 0.000 0.954 286 D HN 0.780 nan 8.370 nan 0.000 0.455 287 G N -0.579 108.354 108.800 0.220 0.000 2.679 287 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.212 287 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.212 287 G C 1.104 176.030 174.900 0.042 0.000 1.137 287 G CA 0.343 45.519 45.100 0.126 0.000 0.787 287 G HN 0.200 nan 8.290 nan 0.000 0.534 288 D N 0.113 120.553 120.400 0.066 0.000 2.371 288 D HA -0.056 4.584 4.640 -0.001 0.000 0.221 288 D C 2.272 178.493 176.300 -0.132 0.000 0.986 288 D CA 0.035 54.034 54.000 -0.003 0.000 0.899 288 D CB 0.183 41.015 40.800 0.054 0.000 0.902 288 D HN 0.292 nan 8.370 nan 0.000 0.530 289 L N 1.491 122.524 121.223 -0.316 0.000 2.042 289 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 289 L C 2.143 178.760 176.870 -0.422 0.000 1.076 289 L CA 1.863 56.321 54.840 -0.636 0.000 0.749 289 L CB -0.466 40.902 42.059 -1.151 0.000 0.893 289 L HN -0.176 nan 8.230 nan 0.000 0.432 290 K N -0.403 119.830 120.400 -0.278 0.000 1.991 290 K HA -0.282 4.038 4.320 -0.001 0.000 0.212 290 K C 2.282 178.763 176.600 -0.197 0.000 1.049 290 K CA 2.346 58.509 56.287 -0.208 0.000 0.932 290 K CB -0.643 31.785 32.500 -0.120 0.000 0.717 290 K HN 0.539 nan 8.250 nan 0.000 0.441 291 Q N -0.604 119.097 119.800 -0.166 0.000 2.084 291 Q HA -0.116 4.224 4.340 -0.001 0.000 0.202 291 Q C 1.991 177.844 176.000 -0.245 0.000 0.978 291 Q CA 1.618 57.316 55.803 -0.175 0.000 0.844 291 Q CB -0.315 28.341 28.738 -0.137 0.000 0.898 291 Q HN 0.489 nan 8.270 nan 0.000 0.426 292 A N -0.143 122.528 122.820 -0.247 0.000 1.883 292 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 292 A C 2.204 179.586 177.584 -0.337 0.000 1.186 292 A CA 1.796 53.652 52.037 -0.301 0.000 0.624 292 A CB -0.934 17.991 19.000 -0.124 0.000 0.822 292 A HN 0.313 nan 8.150 nan 0.000 0.444 293 V N 0.628 120.361 119.914 -0.301 0.000 2.343 293 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 293 V C 2.123 178.080 176.094 -0.229 0.000 1.051 293 V CA 2.275 64.409 62.300 -0.277 0.000 1.036 293 V CB -0.871 30.747 31.823 -0.342 0.000 0.654 293 V HN 0.494 nan 8.190 nan 0.000 0.451 294 D N -0.133 120.134 120.400 -0.221 0.000 2.178 294 D HA -0.102 4.537 4.640 -0.001 0.000 0.201 294 D C 2.020 178.191 176.300 -0.216 0.000 0.980 294 D CA 1.209 55.099 54.000 -0.183 0.000 0.842 294 D CB -0.096 40.610 40.800 -0.157 0.000 0.948 294 D HN 0.420 nan 8.370 nan 0.000 0.472 295 I N 0.347 120.725 120.570 -0.320 0.000 2.286 295 I HA -0.172 3.998 4.170 -0.001 0.000 0.245 295 I C 2.321 178.231 176.117 -0.345 0.000 1.104 295 I CA 0.459 61.511 61.300 -0.412 0.000 1.397 295 I CB 0.008 37.572 38.000 -0.728 0.000 1.072 295 I HN -0.077 nan 8.210 nan 0.000 0.417 296 I N 0.405 120.780 120.570 -0.325 0.000 2.194 296 I HA -0.358 3.812 4.170 -0.001 0.000 0.246 296 I C 2.755 178.840 176.117 -0.053 0.000 1.093 296 I CA 1.296 62.512 61.300 -0.140 0.000 1.355 296 I CB -0.432 37.513 38.000 -0.093 0.000 1.046 296 I HN 0.210 nan 8.210 nan 0.000 0.413 297 R N 1.085 121.541 120.500 -0.074 0.000 2.122 297 R HA -0.212 4.128 4.340 -0.001 0.000 0.236 297 R C -0.439 175.852 176.300 -0.015 0.000 1.129 297 R CA 2.687 58.765 56.100 -0.037 0.000 0.925 297 R CB -1.480 28.788 30.300 -0.053 0.000 0.850 297 R HN 0.247 nan 8.270 nan 0.000 0.431 298 P HA -0.134 nan 4.420 nan 0.000 0.218 298 P C 1.411 178.717 177.300 0.011 0.000 1.149 298 P CA 1.352 64.443 63.100 -0.015 0.000 0.817 298 P CB -0.137 31.541 31.700 -0.036 0.000 0.785 299 L N -0.967 120.266 121.223 0.016 0.000 2.093 299 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 299 L C 2.957 179.894 176.870 0.113 0.000 1.085 299 L CA 1.189 56.070 54.840 0.068 0.000 0.755 299 L CB -0.676 41.440 42.059 0.095 0.000 0.904 299 L HN -0.076 nan 8.230 nan 0.000 0.435 300 R N 0.260 120.827 120.500 0.110 0.000 2.075 300 R HA -0.111 4.228 4.340 -0.001 0.000 0.232 300 R C 2.035 178.391 176.300 0.095 0.000 1.126 300 R CA 1.365 57.542 56.100 0.128 0.000 0.963 300 R CB -0.418 29.954 30.300 0.120 0.000 0.858 300 R HN 0.089 nan 8.270 nan 0.000 0.435 301 L N -0.515 120.747 121.223 0.065 0.000 2.217 301 L HA 0.136 4.476 4.340 -0.001 0.000 0.211 301 L C 1.769 178.671 176.870 0.054 0.000 1.107 301 L CA 2.028 56.900 54.840 0.053 0.000 0.783 301 L CB -1.078 41.001 42.059 0.034 0.000 0.919 301 L HN 0.431 nan 8.230 nan 0.000 0.442 302 G N -2.719 106.117 108.800 0.058 0.000 3.233 302 G HA2 0.229 4.189 3.960 -0.001 0.000 0.234 302 G HA3 0.229 4.189 3.960 -0.001 0.000 0.234 302 G C 0.915 175.859 174.900 0.073 0.000 1.137 302 G CA 0.150 45.283 45.100 0.055 0.000 0.763 302 G HN 0.320 nan 8.290 nan 0.000 0.549 303 M N -1.495 118.162 119.600 0.096 0.000 3.008 303 M HA -0.222 4.257 4.480 -0.001 0.000 0.213 303 M C 1.576 177.963 176.300 0.145 0.000 0.575 303 M CA 0.641 56.011 55.300 0.116 0.000 0.809 303 M CB -1.643 31.013 32.600 0.093 0.000 2.887 303 M HN 0.263 nan 8.290 nan 0.000 0.325 304 A N 0.058 122.971 122.820 0.155 0.000 2.072 304 A HA 0.406 4.726 4.320 -0.001 0.000 0.216 304 A C 0.914 178.663 177.584 0.276 0.000 1.156 304 A CA 0.654 52.807 52.037 0.193 0.000 0.701 304 A CB 0.250 19.354 19.000 0.173 0.000 0.816 304 A HN 0.473 nan 8.150 nan 0.000 0.458 305 L N 0.473 121.858 121.223 0.270 0.000 2.337 305 L HA 0.267 4.607 4.340 -0.001 0.000 0.269 305 L C 0.510 177.534 176.870 0.258 0.000 1.018 305 L CA -0.348 54.686 54.840 0.323 0.000 0.876 305 L CB 1.406 43.680 42.059 0.359 0.000 1.236 305 L HN 0.369 nan 8.230 nan 0.000 0.436 306 Q N 0.726 120.694 119.800 0.280 0.000 2.204 306 Q HA 0.002 4.341 4.340 -0.001 0.000 0.198 306 Q C 0.866 176.980 176.000 0.190 0.000 0.946 306 Q CA 0.484 56.422 55.803 0.224 0.000 0.859 306 Q CB 0.152 29.045 28.738 0.258 0.000 0.946 306 Q HN 0.726 nan 8.270 nan 0.000 0.474 307 N N 0.476 119.332 118.700 0.261 0.000 2.547 307 N HA 0.105 4.844 4.740 -0.001 0.000 0.301 307 N C -0.414 175.202 175.510 0.177 0.000 1.328 307 N CA -0.512 52.668 53.050 0.216 0.000 0.932 307 N CB 0.248 38.966 38.487 0.386 0.000 1.104 307 N HN -0.107 nan 8.380 nan 0.000 0.548 308 V N 1.720 121.735 119.914 0.168 0.000 2.257 308 V HA 0.347 4.466 4.120 -0.001 0.000 0.269 308 V C -2.124 174.088 176.094 0.197 0.000 1.040 308 V CA -1.301 61.088 62.300 0.148 0.000 0.813 308 V CB 0.403 32.251 31.823 0.041 0.000 1.065 308 V HN 0.635 nan 8.190 nan 0.000 0.457 309 P HA 0.310 nan 4.420 nan 0.000 0.274 309 P C -0.241 177.070 177.300 0.018 0.000 1.237 309 P CA 0.117 63.192 63.100 -0.042 0.000 0.793 309 P CB 1.099 32.739 31.700 -0.100 0.000 0.977 310 T N -1.477 113.019 114.554 -0.096 0.000 2.893 310 T HA 0.703 5.053 4.350 -0.001 0.000 0.291 310 T C -0.084 174.721 174.700 0.174 0.000 1.028 310 T CA -0.829 61.312 62.100 0.069 0.000 0.995 310 T CB 0.910 69.766 68.868 -0.019 0.000 1.051 310 T HN 0.225 nan 8.240 nan 0.000 0.470 311 I N 2.083 122.859 120.570 0.343 0.000 2.405 311 I HA 0.412 4.582 4.170 -0.001 0.000 0.280 311 I C 0.268 176.703 176.117 0.529 0.000 1.027 311 I CA -0.845 60.738 61.300 0.471 0.000 1.161 311 I CB 0.995 39.237 38.000 0.404 0.000 1.300 311 I HN 0.403 nan 8.210 nan 0.000 0.463 312 R N 3.664 124.441 120.500 0.461 0.000 2.428 312 R HA 0.361 4.701 4.340 -0.001 0.000 0.294 312 R C -0.013 176.460 176.300 0.289 0.000 1.000 312 R CA -0.772 55.529 56.100 0.335 0.000 0.960 312 R CB 1.332 31.739 30.300 0.179 0.000 1.076 312 R HN 0.515 nan 8.270 nan 0.000 0.475 313 H N 2.750 121.808 119.070 -0.019 0.000 2.629 313 H HA -0.004 4.551 4.556 -0.001 0.000 0.357 313 H C 1.167 176.288 175.328 -0.344 0.000 1.121 313 H CA -0.110 55.642 56.048 -0.493 0.000 1.406 313 H CB 1.148 30.654 29.762 -0.427 0.000 1.456 313 H HN 0.574 nan 8.280 nan 0.000 0.579 314 I N 4.586 124.691 120.570 -0.775 0.000 2.185 314 I HA -0.320 3.849 4.170 -0.001 0.000 0.246 314 I C 2.060 177.983 176.117 -0.323 0.000 1.088 314 I CA 1.472 62.490 61.300 -0.470 0.000 1.347 314 I CB -0.340 37.361 38.000 -0.498 0.000 1.041 314 I HN 0.702 nan 8.210 nan 0.000 0.415 315 L N -0.785 120.287 121.223 -0.251 0.000 2.201 315 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 315 L C 2.387 179.009 176.870 -0.414 0.000 1.105 315 L CA 0.743 55.367 54.840 -0.360 0.000 0.775 315 L CB -0.649 41.167 42.059 -0.405 0.000 0.913 315 L HN 0.374 nan 8.230 nan 0.000 0.440 316 L N 0.048 121.092 121.223 -0.299 0.000 2.017 316 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 316 L C 1.980 178.737 176.870 -0.188 0.000 1.073 316 L CA 1.927 56.561 54.840 -0.342 0.000 0.745 316 L CB -0.571 41.283 42.059 -0.341 0.000 0.894 316 L HN 0.156 nan 8.230 nan 0.000 0.432 317 D N -0.335 119.985 120.400 -0.133 0.000 2.144 317 D HA -0.083 4.557 4.640 -0.001 0.000 0.200 317 D C 2.201 178.486 176.300 -0.025 0.000 0.978 317 D CA 1.379 55.345 54.000 -0.057 0.000 0.833 317 D CB -0.144 40.646 40.800 -0.017 0.000 0.961 317 D HN 0.475 nan 8.370 nan 0.000 0.470 318 A N 0.904 123.663 122.820 -0.102 0.000 1.902 318 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 318 A C 2.277 179.961 177.584 0.166 0.000 1.181 318 A CA 2.026 54.017 52.037 -0.077 0.000 0.623 318 A CB -0.628 18.102 19.000 -0.450 0.000 0.818 318 A HN 0.226 nan 8.150 nan 0.000 0.443 319 A N -0.596 122.240 122.820 0.026 0.000 1.969 319 A HA 0.062 4.381 4.320 -0.001 0.000 0.218 319 A C 2.186 179.946 177.584 0.294 0.000 1.169 319 A CA 1.553 53.754 52.037 0.273 0.000 0.635 319 A CB -0.814 18.207 19.000 0.035 0.000 0.810 319 A HN 0.349 nan 8.150 nan 0.000 0.445 320 V N 0.231 120.260 119.914 0.191 0.000 2.287 320 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 320 V C 2.520 178.704 176.094 0.149 0.000 1.053 320 V CA 2.079 64.475 62.300 0.160 0.000 1.027 320 V CB -0.705 31.176 31.823 0.096 0.000 0.646 320 V HN 0.591 nan 8.190 nan 0.000 0.447 321 L N -0.812 120.519 121.223 0.179 0.000 2.217 321 L HA 0.231 4.571 4.340 -0.001 0.000 0.211 321 L C 1.037 178.019 176.870 0.186 0.000 1.107 321 L CA 1.092 56.036 54.840 0.174 0.000 0.783 321 L CB -0.430 41.748 42.059 0.198 0.000 0.919 321 L HN 0.533 nan 8.230 nan 0.000 0.442 322 G N -1.010 107.974 108.800 0.305 0.000 2.523 322 G HA2 0.301 4.260 3.960 -0.001 0.000 0.291 322 G HA3 0.301 4.260 3.960 -0.001 0.000 0.291 322 G C -1.955 173.156 174.900 0.351 0.000 1.450 322 G CA -0.559 44.662 45.100 0.201 0.000 0.790 322 G HN -0.000 nan 8.290 nan 0.000 0.496 323 D N -0.290 120.191 120.400 0.135 0.000 2.398 323 D HA 0.182 4.822 4.640 -0.001 0.000 0.247 323 D C 1.276 177.440 176.300 -0.226 0.000 1.227 323 D CA -0.618 53.410 54.000 0.046 0.000 0.980 323 D CB 1.255 42.018 40.800 -0.062 0.000 1.106 323 D HN 0.436 nan 8.370 nan 0.000 0.493 324 K N -0.308 119.545 120.400 -0.911 0.000 2.097 324 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 324 K C 1.996 178.345 176.600 -0.418 0.000 1.049 324 K CA 0.846 56.401 56.287 -1.220 0.000 0.933 324 K CB 0.018 31.604 32.500 -1.523 0.000 0.717 324 K HN 0.325 nan 8.250 nan 0.000 0.442 325 R N 0.179 120.495 120.500 -0.307 0.000 2.193 325 R HA -0.076 4.264 4.340 -0.001 0.000 0.229 325 R C 2.232 178.446 176.300 -0.143 0.000 1.110 325 R CA 1.493 57.489 56.100 -0.174 0.000 0.988 325 R CB -0.106 30.109 30.300 -0.141 0.000 0.871 325 R HN 0.282 nan 8.270 nan 0.000 0.458 326 S N -1.092 114.496 115.700 -0.186 0.000 2.562 326 S HA -0.027 4.442 4.470 -0.001 0.000 0.221 326 S C 1.148 175.531 174.600 -0.362 0.000 0.975 326 S CA 0.348 58.385 58.200 -0.271 0.000 0.918 326 S CB 0.040 63.038 63.200 -0.337 0.000 0.772 326 S HN 0.324 nan 8.310 nan 0.000 0.531 327 Y N 0.564 120.841 120.300 -0.039 0.000 2.535 327 Y HA 0.541 5.091 4.550 -0.001 0.000 0.264 327 Y C 1.077 176.981 175.900 0.007 0.000 1.087 327 Y CA -0.276 57.834 58.100 0.018 0.000 1.285 327 Y CB 0.667 39.190 38.460 0.104 0.000 1.200 327 Y HN 0.296 nan 8.280 nan 0.000 0.514 328 S N -1.669 114.093 115.700 0.104 0.000 2.565 328 S HA 0.326 4.795 4.470 -0.001 0.000 0.274 328 S C -0.112 174.485 174.600 -0.004 0.000 1.144 328 S CA -0.555 57.681 58.200 0.059 0.000 0.849 328 S CB 1.398 64.652 63.200 0.091 0.000 1.103 328 S HN -0.132 nan 8.310 nan 0.000 0.455 329 S N 0.917 116.615 115.700 -0.003 0.000 2.593 329 S HA 0.289 4.758 4.470 -0.001 0.000 0.236 329 S C 0.489 175.082 174.600 -0.012 0.000 0.991 329 S CA -0.288 57.899 58.200 -0.022 0.000 0.963 329 S CB -0.059 63.130 63.200 -0.020 0.000 0.865 329 S HN 0.548 nan 8.310 nan 0.000 0.488 330 R N 0.330 120.832 120.500 0.004 0.000 2.594 330 R HA 0.201 4.541 4.340 -0.001 0.000 0.272 330 R C 0.802 177.108 176.300 0.009 0.000 1.074 330 R CA 0.402 56.511 56.100 0.015 0.000 1.105 330 R CB 0.528 30.849 30.300 0.035 0.000 1.008 330 R HN 0.048 nan 8.270 nan 0.000 0.472 331 T N 1.789 116.352 114.554 0.016 0.000 3.035 331 T HA 0.045 4.394 4.350 -0.001 0.000 0.259 331 T C 0.055 174.782 174.700 0.044 0.000 1.078 331 T CA 0.487 62.598 62.100 0.019 0.000 1.132 331 T CB 0.138 69.017 68.868 0.017 0.000 0.900 331 T HN 0.459 nan 8.240 nan 0.000 0.480 332 E N 1.705 121.935 120.200 0.050 0.000 2.369 332 E HA 0.231 4.581 4.350 -0.001 0.000 0.255 332 E C -2.538 174.118 176.600 0.093 0.000 1.172 332 E CA -2.339 54.100 56.400 0.066 0.000 0.932 332 E CB 0.148 29.881 29.700 0.054 0.000 1.040 332 E HN 0.073 nan 8.360 nan 0.000 0.454 333 P HA 0.024 nan 4.420 nan 0.000 0.265 333 P C -0.229 177.149 177.300 0.130 0.000 1.193 333 P CA 0.264 63.447 63.100 0.138 0.000 0.765 333 P CB 0.275 32.050 31.700 0.125 0.000 0.823 334 L N 1.921 123.242 121.223 0.163 0.000 2.514 334 L HA 0.045 4.385 4.340 -0.001 0.000 0.280 334 L C 1.266 178.203 176.870 0.113 0.000 1.223 334 L CA 0.070 54.994 54.840 0.141 0.000 0.864 334 L CB -0.185 41.977 42.059 0.172 0.000 1.118 334 L HN 0.480 nan 8.230 nan 0.000 0.494 335 S N 0.440 116.193 115.700 0.088 0.000 2.608 335 S HA 0.034 4.504 4.470 -0.001 0.000 0.261 335 S C 0.597 175.239 174.600 0.070 0.000 1.314 335 S CA -0.672 57.572 58.200 0.073 0.000 0.992 335 S CB 1.239 64.473 63.200 0.058 0.000 0.935 335 S HN 0.676 nan 8.310 nan 0.000 0.564 336 D N 0.745 121.183 120.400 0.063 0.000 2.123 336 D HA -0.103 4.536 4.640 -0.001 0.000 0.196 336 D C 1.717 178.041 176.300 0.040 0.000 0.992 336 D CA 1.648 55.683 54.000 0.057 0.000 0.833 336 D CB -0.162 40.672 40.800 0.057 0.000 0.954 336 D HN 0.708 nan 8.370 nan 0.000 0.455 337 E N 0.448 120.671 120.200 0.040 0.000 2.085 337 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 337 E C 1.963 178.583 176.600 0.034 0.000 0.994 337 E CA 1.022 57.442 56.400 0.033 0.000 0.801 337 E CB -0.180 29.540 29.700 0.034 0.000 0.743 337 E HN 0.461 nan 8.360 nan 0.000 0.453 338 E N 0.113 120.339 120.200 0.044 0.000 2.204 338 E HA -0.091 4.259 4.350 -0.001 0.000 0.194 338 E C 1.982 178.601 176.600 0.031 0.000 0.989 338 E CA 0.490 56.920 56.400 0.050 0.000 0.824 338 E CB -0.057 29.686 29.700 0.072 0.000 0.756 338 E HN 0.243 nan 8.360 nan 0.000 0.477 339 L N 1.128 122.360 121.223 0.016 0.000 2.027 339 L HA -0.175 4.165 4.340 -0.001 0.000 0.206 339 L C 1.934 178.768 176.870 -0.059 0.000 1.074 339 L CA 0.887 55.705 54.840 -0.036 0.000 0.745 339 L CB -0.371 41.665 42.059 -0.039 0.000 0.898 339 L HN 0.061 nan 8.230 nan 0.000 0.433 340 D N 0.762 121.144 120.400 -0.030 0.000 2.123 340 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 340 D C 2.094 178.386 176.300 -0.012 0.000 0.992 340 D CA 1.396 55.381 54.000 -0.025 0.000 0.833 340 D CB -0.125 40.674 40.800 -0.003 0.000 0.954 340 D HN 0.388 nan 8.370 nan 0.000 0.455 341 K N 0.602 121.006 120.400 0.007 0.000 2.057 341 K HA -0.052 4.268 4.320 -0.001 0.000 0.207 341 K C 2.332 178.949 176.600 0.029 0.000 1.049 341 K CA 0.805 57.107 56.287 0.025 0.000 0.931 341 K CB -0.193 32.332 32.500 0.042 0.000 0.714 341 K HN 0.164 nan 8.250 nan 0.000 0.440 342 I N 1.564 122.140 120.570 0.010 0.000 2.226 342 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 342 I C 2.643 178.741 176.117 -0.031 0.000 1.100 342 I CA 1.088 62.382 61.300 -0.010 0.000 1.374 342 I CB -0.505 37.412 38.000 -0.138 0.000 1.057 342 I HN 0.238 nan 8.210 nan 0.000 0.413 343 A N 2.062 124.846 122.820 -0.061 0.000 1.865 343 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 343 A C 2.372 179.941 177.584 -0.025 0.000 1.191 343 A CA 2.353 54.351 52.037 -0.065 0.000 0.623 343 A CB -0.727 18.223 19.000 -0.084 0.000 0.826 343 A HN 0.535 nan 8.150 nan 0.000 0.444 344 K N -0.251 120.144 120.400 -0.008 0.000 2.044 344 K HA -0.287 4.033 4.320 -0.001 0.000 0.210 344 K C 1.922 178.534 176.600 0.020 0.000 1.049 344 K CA 1.916 58.208 56.287 0.009 0.000 0.927 344 K CB -0.593 31.916 32.500 0.015 0.000 0.713 344 K HN 0.612 nan 8.250 nan 0.000 0.443 345 Q N 0.677 120.499 119.800 0.038 0.000 2.135 345 Q HA -0.070 4.270 4.340 -0.001 0.000 0.204 345 Q C 2.131 178.162 176.000 0.051 0.000 0.981 345 Q CA 1.549 57.387 55.803 0.058 0.000 0.856 345 Q CB -0.186 28.617 28.738 0.108 0.000 0.902 345 Q HN 0.421 nan 8.270 nan 0.000 0.425 346 L N -0.129 121.117 121.223 0.038 0.000 2.567 346 L HA 0.110 4.450 4.340 -0.001 0.000 0.225 346 L C 0.208 177.061 176.870 -0.028 0.000 1.119 346 L CA -0.261 54.590 54.840 0.019 0.000 0.871 346 L CB -0.000 42.072 42.059 0.022 0.000 1.036 346 L HN 0.250 nan 8.230 nan 0.000 0.459 347 N N 1.084 119.770 118.700 -0.024 0.000 2.758 347 N HA -0.146 4.593 4.740 -0.001 0.000 0.248 347 N C -0.563 174.898 175.510 -0.082 0.000 1.076 347 N CA 0.731 53.757 53.050 -0.041 0.000 0.696 347 N CB -1.016 37.434 38.487 -0.063 0.000 0.979 347 N HN 0.275 nan 8.380 nan 0.000 0.550 348 L N -1.300 119.888 121.223 -0.058 0.000 2.235 348 L HA 0.808 5.148 4.340 -0.001 0.000 0.260 348 L C 1.442 178.287 176.870 -0.042 0.000 1.025 348 L CA -0.640 54.162 54.840 -0.064 0.000 0.836 348 L CB 1.506 43.525 42.059 -0.067 0.000 1.395 348 L HN 0.053 nan 8.230 nan 0.000 0.443 349 G N -0.859 107.918 108.800 -0.038 0.000 2.671 349 G HA2 0.317 4.277 3.960 -0.001 0.000 0.275 349 G HA3 0.317 4.277 3.960 -0.001 0.000 0.275 349 G C 0.329 175.166 174.900 -0.106 0.000 1.368 349 G CA -0.415 44.665 45.100 -0.033 0.000 1.044 349 G HN 0.430 nan 8.290 nan 0.000 0.543 350 R N -1.408 119.018 120.500 -0.123 0.000 2.153 350 R HA 0.045 4.384 4.340 -0.001 0.000 0.218 350 R C -0.438 175.488 176.300 -0.624 0.000 1.072 350 R CA 0.433 56.324 56.100 -0.348 0.000 0.990 350 R CB -0.017 30.135 30.300 -0.248 0.000 0.889 350 R HN 0.492 nan 8.270 nan 0.000 0.452 351 W N 0.277 121.533 121.300 -0.073 0.000 2.883 351 W HA 0.343 5.003 4.660 -0.001 0.000 0.335 351 W C -0.798 175.736 176.519 0.025 0.000 1.083 351 W CA -0.757 56.582 57.345 -0.011 0.000 1.233 351 W CB 1.279 30.743 29.460 0.007 0.000 1.412 351 W HN -0.178 nan 8.180 nan 0.000 0.490 352 N N 2.394 121.283 118.700 0.314 0.000 2.410 352 N HA 0.376 5.116 4.740 -0.001 0.000 0.287 352 N C -1.747 173.905 175.510 0.237 0.000 1.044 352 N CA -0.668 52.486 53.050 0.175 0.000 0.881 352 N CB 1.607 40.160 38.487 0.110 0.000 1.405 352 N HN 0.281 nan 8.380 nan 0.000 0.490 353 F N 3.375 123.307 119.950 -0.031 0.000 2.405 353 F HA 0.445 4.971 4.527 -0.001 0.000 0.355 353 F C -1.178 174.543 175.800 -0.131 0.000 1.121 353 F CA -0.517 57.496 58.000 0.022 0.000 1.112 353 F CB 0.291 39.301 39.000 0.017 0.000 1.126 353 F HN 0.405 nan 8.300 nan 0.000 0.481 354 Y N 4.462 124.457 120.300 -0.510 0.000 2.335 354 Y HA 0.674 5.223 4.550 -0.001 0.000 0.338 354 Y C 0.511 175.927 175.900 -0.807 0.000 0.977 354 Y CA -0.565 57.234 58.100 -0.501 0.000 1.114 354 Y CB 1.691 39.962 38.460 -0.316 0.000 1.182 354 Y HN 0.761 nan 8.280 nan 0.000 0.463 355 G N 0.590 108.861 108.800 -0.881 0.000 2.827 355 G HA2 0.853 4.813 3.960 -0.001 0.000 0.296 355 G HA3 0.853 4.813 3.960 -0.001 0.000 0.296 355 G C -1.856 172.457 174.900 -0.978 0.000 1.362 355 G CA -0.631 43.944 45.100 -0.876 0.000 0.809 355 G HN 0.788 nan 8.290 nan 0.000 0.522 356 A N -1.082 121.446 122.820 -0.486 0.000 2.606 356 A HA 0.785 5.104 4.320 -0.001 0.000 0.293 356 A C -1.552 175.933 177.584 -0.166 0.000 1.082 356 A CA -0.533 51.265 52.037 -0.398 0.000 0.685 356 A CB 1.199 19.983 19.000 -0.360 0.000 1.284 356 A HN 0.846 nan 8.150 nan 0.000 0.408 357 L N 0.698 121.731 121.223 -0.316 0.000 2.346 357 L HA 0.716 5.056 4.340 -0.001 0.000 0.274 357 L C -1.299 175.355 176.870 -0.360 0.000 1.007 357 L CA -0.609 54.152 54.840 -0.131 0.000 0.818 357 L CB 1.632 43.677 42.059 -0.023 0.000 1.284 357 L HN 0.743 nan 8.230 nan 0.000 0.424 358 Y N 0.361 120.757 120.300 0.160 0.000 2.499 358 Y HA 0.815 5.364 4.550 -0.001 0.000 0.347 358 Y C 0.654 176.603 175.900 0.081 0.000 0.987 358 Y CA -0.517 57.681 58.100 0.163 0.000 1.044 358 Y CB 2.403 40.956 38.460 0.156 0.000 1.245 358 Y HN 0.768 nan 8.280 nan 0.000 0.461 359 G N 1.695 110.604 108.800 0.181 0.000 2.525 359 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.685 359 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.685 359 G C -3.345 171.589 174.900 0.057 0.000 1.290 359 G CA -1.591 43.564 45.100 0.092 0.000 0.915 359 G HN 0.388 nan 8.290 nan 0.000 0.548 360 P HA 0.160 nan 4.420 nan 0.000 0.266 360 P C 0.995 178.312 177.300 0.027 0.000 1.195 360 P CA 0.051 63.166 63.100 0.025 0.000 0.768 360 P CB 0.851 32.563 31.700 0.019 0.000 0.838 361 E N 5.257 125.467 120.200 0.017 0.000 2.086 361 E HA -0.219 4.130 4.350 -0.001 0.000 0.205 361 E C -0.858 175.758 176.600 0.027 0.000 1.027 361 E CA 2.506 58.914 56.400 0.013 0.000 0.830 361 E CB -1.817 27.887 29.700 0.007 0.000 0.751 361 E HN 0.354 nan 8.360 nan 0.000 0.456 362 P HA -0.148 nan 4.420 nan 0.000 0.216 362 P C 1.771 179.095 177.300 0.041 0.000 1.150 362 P CA 1.387 64.506 63.100 0.031 0.000 0.843 362 P CB -0.232 31.483 31.700 0.024 0.000 0.787 363 I N -0.974 119.623 120.570 0.045 0.000 2.333 363 I HA -0.121 4.049 4.170 -0.001 0.000 0.246 363 I C 2.763 178.927 176.117 0.078 0.000 1.106 363 I CA 0.974 62.309 61.300 0.059 0.000 1.411 363 I CB -0.392 37.644 38.000 0.060 0.000 1.082 363 I HN -0.191 nan 8.210 nan 0.000 0.420 364 R N 0.479 121.023 120.500 0.074 0.000 2.091 364 R HA -0.199 4.140 4.340 -0.001 0.000 0.238 364 R C 2.439 178.816 176.300 0.129 0.000 1.136 364 R CA 1.370 57.522 56.100 0.087 0.000 0.959 364 R CB -0.491 29.822 30.300 0.022 0.000 0.856 364 R HN 0.331 nan 8.270 nan 0.000 0.437 365 R N 1.076 121.638 120.500 0.104 0.000 2.083 365 R HA -0.147 4.193 4.340 -0.001 0.000 0.237 365 R C 2.026 178.402 176.300 0.126 0.000 1.137 365 R CA 1.834 58.014 56.100 0.134 0.000 0.951 365 R CB -0.305 30.045 30.300 0.084 0.000 0.851 365 R HN 0.089 nan 8.270 nan 0.000 0.434 366 V N 1.695 121.660 119.914 0.085 0.000 2.343 366 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 366 V C 2.471 178.604 176.094 0.066 0.000 1.051 366 V CA 1.747 64.082 62.300 0.058 0.000 1.036 366 V CB -0.416 31.435 31.823 0.046 0.000 0.654 366 V HN 0.333 nan 8.190 nan 0.000 0.451 367 L N -1.233 120.057 121.223 0.111 0.000 2.093 367 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 367 L C 2.407 179.370 176.870 0.155 0.000 1.085 367 L CA 1.816 56.735 54.840 0.132 0.000 0.755 367 L CB -0.568 41.594 42.059 0.171 0.000 0.904 367 L HN 0.540 nan 8.230 nan 0.000 0.435 368 W N 1.932 123.215 121.300 -0.028 0.000 2.358 368 W HA -0.199 4.461 4.660 -0.001 0.000 0.303 368 W C 2.067 178.508 176.519 -0.130 0.000 1.208 368 W CA 1.592 58.880 57.345 -0.096 0.000 1.274 368 W CB 0.088 29.504 29.460 -0.073 0.000 1.138 368 W HN 0.243 nan 8.180 nan 0.000 0.515 369 E N -0.300 119.779 120.200 -0.202 0.000 2.110 369 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 369 E C 2.044 178.473 176.600 -0.285 0.000 0.988 369 E CA 2.057 58.273 56.400 -0.308 0.000 0.804 369 E CB -0.541 29.076 29.700 -0.140 0.000 0.745 369 E HN 0.131 nan 8.360 nan 0.000 0.458 370 T N 1.353 115.812 114.554 -0.159 0.000 2.674 370 T HA -0.141 4.208 4.350 -0.001 0.000 0.265 370 T C 1.999 176.621 174.700 -0.130 0.000 1.039 370 T CA 1.050 63.087 62.100 -0.105 0.000 1.150 370 T CB -0.226 68.625 68.868 -0.027 0.000 0.864 370 T HN 0.081 nan 8.240 nan 0.000 0.427 371 I N 0.563 121.045 120.570 -0.147 0.000 2.127 371 I HA -0.202 3.968 4.170 -0.001 0.000 0.241 371 I C 2.571 178.541 176.117 -0.244 0.000 1.075 371 I CA 1.460 62.702 61.300 -0.096 0.000 1.334 371 I CB -0.258 37.715 38.000 -0.045 0.000 1.040 371 I HN 0.146 nan 8.210 nan 0.000 0.405 372 K N 0.333 120.272 120.400 -0.768 0.000 2.032 372 K HA -0.268 4.051 4.320 -0.001 0.000 0.209 372 K C 1.885 178.304 176.600 -0.301 0.000 1.048 372 K CA 2.127 57.886 56.287 -0.880 0.000 0.927 372 K CB -0.271 31.463 32.500 -1.277 0.000 0.712 372 K HN 0.213 nan 8.250 nan 0.000 0.441 373 D N 0.003 120.240 120.400 -0.273 0.000 2.104 373 D HA -0.151 4.489 4.640 -0.001 0.000 0.194 373 D C 1.667 177.921 176.300 -0.078 0.000 0.994 373 D CA 1.569 55.482 54.000 -0.145 0.000 0.830 373 D CB -0.061 40.652 40.800 -0.145 0.000 0.959 373 D HN 0.243 nan 8.370 nan 0.000 0.452 374 A N -0.884 121.889 122.820 -0.077 0.000 1.898 374 A HA -0.067 4.253 4.320 -0.001 0.000 0.216 374 A C 2.107 179.615 177.584 -0.127 0.000 1.181 374 A CA 0.827 52.794 52.037 -0.117 0.000 0.620 374 A CB -0.997 17.906 19.000 -0.162 0.000 0.819 374 A HN 0.311 nan 8.150 nan 0.000 0.442 375 F N 0.540 120.456 119.950 -0.058 0.000 2.502 375 F HA -0.034 4.493 4.527 -0.001 0.000 0.298 375 F C 2.426 178.228 175.800 0.004 0.000 1.111 375 F CA 1.177 59.164 58.000 -0.023 0.000 1.445 375 F CB 0.030 39.059 39.000 0.049 0.000 1.081 375 F HN 0.109 nan 8.300 nan 0.000 0.558 376 S N -0.214 115.604 115.700 0.196 0.000 2.507 376 S HA -0.095 4.375 4.470 -0.001 0.000 0.235 376 S C 2.220 176.835 174.600 0.025 0.000 0.988 376 S CA 0.697 58.968 58.200 0.118 0.000 0.944 376 S CB -0.381 62.869 63.200 0.084 0.000 0.762 376 S HN 0.366 nan 8.310 nan 0.000 0.526 377 A N 0.834 123.643 122.820 -0.017 0.000 2.121 377 A HA 0.172 4.491 4.320 -0.001 0.000 0.218 377 A C 0.799 178.356 177.584 -0.044 0.000 1.154 377 A CA 0.490 52.499 52.037 -0.048 0.000 0.679 377 A CB -0.316 18.633 19.000 -0.086 0.000 0.795 377 A HN 0.473 nan 8.150 nan 0.000 0.458 378 I N 1.726 122.278 120.570 -0.031 0.000 2.315 378 I HA 0.234 4.404 4.170 -0.001 0.000 0.291 378 I C -2.364 173.742 176.117 -0.018 0.000 1.006 378 I CA -2.381 58.904 61.300 -0.025 0.000 1.265 378 I CB 1.454 39.449 38.000 -0.009 0.000 1.387 378 I HN 0.006 nan 8.210 nan 0.000 0.475 379 P HA 0.077 nan 4.420 nan 0.000 0.268 379 P C 0.804 178.089 177.300 -0.025 0.000 1.205 379 P CA 0.332 63.420 63.100 -0.019 0.000 0.771 379 P CB 0.687 32.379 31.700 -0.013 0.000 0.858 380 G N 1.094 109.874 108.800 -0.034 0.000 2.155 380 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.257 380 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.257 380 G C 0.159 175.009 174.900 -0.082 0.000 0.983 380 G CA 0.080 45.154 45.100 -0.043 0.000 0.676 380 G HN 0.697 nan 8.290 nan 0.000 0.528 381 V N -0.121 119.718 119.914 -0.126 0.000 2.740 381 V HA 0.596 4.715 4.120 -0.001 0.000 0.303 381 V C 0.453 176.299 176.094 -0.413 0.000 1.054 381 V CA 0.439 62.582 62.300 -0.262 0.000 1.106 381 V CB 1.052 32.700 31.823 -0.293 0.000 0.957 381 V HN 0.346 nan 8.190 nan 0.000 0.486 382 K N 5.377 125.473 120.400 -0.507 0.000 2.422 382 K HA 0.574 4.894 4.320 -0.001 0.000 0.251 382 K C -1.756 174.416 176.600 -0.714 0.000 0.933 382 K CA -0.350 55.623 56.287 -0.523 0.000 0.798 382 K CB 2.217 34.571 32.500 -0.243 0.000 1.238 382 K HN 0.562 nan 8.250 nan 0.000 0.428 383 F N 2.057 121.765 119.950 -0.404 0.000 2.467 383 F HA 0.453 4.979 4.527 -0.001 0.000 0.336 383 F C -0.657 174.808 175.800 -0.557 0.000 1.123 383 F CA -0.661 57.171 58.000 -0.280 0.000 0.964 383 F CB 1.023 39.950 39.000 -0.121 0.000 1.136 383 F HN 0.339 nan 8.300 nan 0.000 0.447 384 Y N 2.289 122.669 120.300 0.133 0.000 2.477 384 Y HA 0.622 5.172 4.550 -0.001 0.000 0.347 384 Y C -0.819 175.161 175.900 0.133 0.000 0.981 384 Y CA -1.292 56.831 58.100 0.038 0.000 1.033 384 Y CB 1.587 40.073 38.460 0.043 0.000 1.245 384 Y HN 0.309 nan 8.280 nan 0.000 0.455 385 F N 2.335 122.386 119.950 0.168 0.000 2.440 385 F HA 0.439 4.965 4.527 -0.001 0.000 0.328 385 F C -1.475 174.365 175.800 0.066 0.000 1.070 385 F CA -3.243 54.782 58.000 0.042 0.000 1.011 385 F CB 0.886 39.856 39.000 -0.050 0.000 1.226 385 F HN 0.257 nan 8.300 nan 0.000 0.491 386 P HA -0.207 nan 4.420 nan 0.000 0.216 386 P C 0.987 178.353 177.300 0.110 0.000 1.154 386 P CA 1.844 65.013 63.100 0.115 0.000 0.865 386 P CB 0.245 31.974 31.700 0.048 0.000 0.789 387 E N -0.540 119.732 120.200 0.120 0.000 2.209 387 E HA -0.155 4.194 4.350 -0.001 0.000 0.196 387 E C 1.194 177.862 176.600 0.113 0.000 0.993 387 E CA 1.116 57.578 56.400 0.103 0.000 0.819 387 E CB -0.951 28.811 29.700 0.104 0.000 0.745 387 E HN 0.402 nan 8.360 nan 0.000 0.477 388 D N 0.136 120.631 120.400 0.159 0.000 2.328 388 D HA 0.002 4.641 4.640 -0.001 0.000 0.226 388 D C 0.373 176.765 176.300 0.154 0.000 1.066 388 D CA 0.523 54.631 54.000 0.179 0.000 0.861 388 D CB 0.024 40.986 40.800 0.269 0.000 0.912 388 D HN 0.234 nan 8.370 nan 0.000 0.521 389 T N -2.184 112.418 114.554 0.081 0.000 2.942 389 T HA 0.586 4.936 4.350 -0.001 0.000 0.289 389 T C -2.795 171.911 174.700 0.009 0.000 1.044 389 T CA -2.051 60.046 62.100 -0.006 0.000 1.023 389 T CB 2.255 71.097 68.868 -0.043 0.000 1.123 389 T HN -0.329 nan 8.240 nan 0.000 0.512 390 P HA 0.228 nan 4.420 nan 0.000 0.272 390 P C 0.864 178.170 177.300 0.010 0.000 1.254 390 P CA -0.399 62.704 63.100 0.005 0.000 0.795 390 P CB 0.467 32.167 31.700 -0.001 0.000 1.022 391 E N 0.602 120.809 120.200 0.013 0.000 2.150 391 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 391 E C 1.031 177.638 176.600 0.011 0.000 0.985 391 E CA 1.069 57.477 56.400 0.013 0.000 0.814 391 E CB -0.141 29.567 29.700 0.013 0.000 0.752 391 E HN 0.442 nan 8.360 nan 0.000 0.466 392 N N 0.424 119.130 118.700 0.011 0.000 2.322 392 N HA -0.073 4.667 4.740 -0.001 0.000 0.194 392 N C 0.072 175.590 175.510 0.013 0.000 1.126 392 N CA 0.141 53.198 53.050 0.013 0.000 0.845 392 N CB -0.086 38.411 38.487 0.017 0.000 0.976 392 N HN -0.102 nan 8.380 nan 0.000 0.475 393 S N -0.737 114.970 115.700 0.011 0.000 2.573 393 S HA 0.106 4.576 4.470 -0.001 0.000 0.277 393 S C 1.421 176.029 174.600 0.014 0.000 1.346 393 S CA -0.572 57.636 58.200 0.013 0.000 1.034 393 S CB 1.131 64.335 63.200 0.007 0.000 0.879 393 S HN -0.061 nan 8.310 nan 0.000 0.528 394 V N 2.513 122.440 119.914 0.023 0.000 2.427 394 V HA -0.106 4.014 4.120 -0.001 0.000 0.248 394 V C 2.357 178.443 176.094 -0.013 0.000 1.051 394 V CA 1.596 63.873 62.300 -0.037 0.000 1.048 394 V CB -1.106 30.666 31.823 -0.085 0.000 0.666 394 V HN 0.859 nan 8.190 nan 0.000 0.456 395 L N 0.536 121.864 121.223 0.175 0.000 2.043 395 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 395 L C 2.537 179.449 176.870 0.071 0.000 1.075 395 L CA 1.978 56.952 54.840 0.222 0.000 0.752 395 L CB -0.696 41.487 42.059 0.207 0.000 0.891 395 L HN 0.209 nan 8.230 nan 0.000 0.432 396 R N -1.518 119.004 120.500 0.036 0.000 2.092 396 R HA -0.092 4.247 4.340 -0.001 0.000 0.231 396 R C 2.084 178.371 176.300 -0.022 0.000 1.119 396 R CA 1.382 57.489 56.100 0.010 0.000 0.970 396 R CB -0.398 29.908 30.300 0.011 0.000 0.864 396 R HN 0.330 nan 8.270 nan 0.000 0.440 397 V N 0.825 120.712 119.914 -0.045 0.000 2.270 397 V HA -0.206 3.914 4.120 -0.001 0.000 0.245 397 V C 2.193 178.220 176.094 -0.112 0.000 1.043 397 V CA 1.635 63.885 62.300 -0.083 0.000 1.014 397 V CB -0.461 31.302 31.823 -0.099 0.000 0.645 397 V HN 0.281 nan 8.190 nan 0.000 0.447 398 R N 0.159 120.576 120.500 -0.139 0.000 2.189 398 R HA -0.179 4.161 4.340 -0.001 0.000 0.223 398 R C 2.021 178.285 176.300 -0.061 0.000 1.092 398 R CA 1.570 57.572 56.100 -0.163 0.000 0.989 398 R CB -0.469 29.657 30.300 -0.290 0.000 0.876 398 R HN 0.646 nan 8.270 nan 0.000 0.457 399 D N 1.126 121.517 120.400 -0.015 0.000 2.144 399 D HA -0.159 4.481 4.640 -0.001 0.000 0.199 399 D C 1.450 177.787 176.300 0.061 0.000 0.984 399 D CA 1.449 55.480 54.000 0.053 0.000 0.834 399 D CB 0.235 41.053 40.800 0.030 0.000 0.955 399 D HN 0.117 nan 8.370 nan 0.000 0.465 400 K N -0.760 119.612 120.400 -0.046 0.000 2.076 400 K HA -0.014 4.305 4.320 -0.001 0.000 0.204 400 K C 2.221 178.724 176.600 -0.162 0.000 1.051 400 K CA 1.383 57.590 56.287 -0.132 0.000 0.949 400 K CB -0.155 32.254 32.500 -0.151 0.000 0.726 400 K HN 0.075 nan 8.250 nan 0.000 0.443 401 T N 1.716 116.196 114.554 -0.124 0.000 2.720 401 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 401 T C 1.704 176.396 174.700 -0.012 0.000 1.037 401 T CA 1.400 63.442 62.100 -0.096 0.000 1.144 401 T CB -0.117 68.683 68.868 -0.113 0.000 0.864 401 T HN 0.172 nan 8.240 nan 0.000 0.444 402 M N 1.410 121.041 119.600 0.052 0.000 2.659 402 M HA 0.009 4.488 4.480 -0.001 0.000 0.243 402 M C 1.830 178.215 176.300 0.141 0.000 1.111 402 M CA 0.789 56.209 55.300 0.201 0.000 1.070 402 M CB -0.036 32.727 32.600 0.272 0.000 1.525 402 M HN 0.412 nan 8.290 nan 0.000 0.517 403 Q N -1.423 118.239 119.800 -0.230 0.000 2.159 403 Q HA 0.333 4.673 4.340 -0.001 0.000 0.217 403 Q C 0.732 176.380 176.000 -0.587 0.000 0.818 403 Q CA 0.411 55.796 55.803 -0.696 0.000 1.008 403 Q CB 0.751 28.620 28.738 -1.448 0.000 1.148 403 Q HN 0.345 nan 8.270 nan 0.000 0.491 404 G N 1.526 110.170 108.800 -0.261 0.000 2.132 404 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.234 404 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.234 404 G C -0.107 174.635 174.900 -0.263 0.000 0.989 404 G CA 0.070 45.057 45.100 -0.189 0.000 0.676 404 G HN 0.411 nan 8.290 nan 0.000 0.522 405 I N 2.536 122.901 120.570 -0.342 0.000 2.331 405 I HA 0.328 4.497 4.170 -0.001 0.000 0.292 405 I C -1.741 174.119 176.117 -0.429 0.000 0.998 405 I CA -2.495 58.533 61.300 -0.454 0.000 1.267 405 I CB 1.682 39.437 38.000 -0.408 0.000 1.386 405 I HN -0.099 nan 8.210 nan 0.000 0.476 406 P HA 0.184 nan 4.420 nan 0.000 0.275 406 P C -0.590 176.439 177.300 -0.452 0.000 1.227 406 P CA -0.079 62.727 63.100 -0.491 0.000 0.781 406 P CB 1.085 32.452 31.700 -0.557 0.000 0.906 407 T N -0.512 113.746 114.554 -0.492 0.000 2.838 407 T HA 0.534 4.884 4.350 -0.001 0.000 0.292 407 T C -0.428 173.792 174.700 -0.799 0.000 1.113 407 T CA -0.373 61.453 62.100 -0.456 0.000 1.008 407 T CB 1.181 69.910 68.868 -0.232 0.000 1.259 407 T HN 0.247 nan 8.240 nan 0.000 0.520 408 Y N -1.108 119.177 120.300 -0.025 0.000 2.610 408 Y HA 0.279 4.829 4.550 -0.001 0.000 0.254 408 Y C 1.230 177.054 175.900 -0.128 0.000 1.110 408 Y CA -0.700 57.349 58.100 -0.085 0.000 1.238 408 Y CB 0.002 38.432 38.460 -0.050 0.000 1.322 408 Y HN 0.617 nan 8.280 nan 0.000 0.547 409 D N 0.979 121.365 120.400 -0.023 0.000 2.123 409 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 409 D C 1.522 177.780 176.300 -0.069 0.000 0.992 409 D CA 1.633 55.613 54.000 -0.034 0.000 0.833 409 D CB 0.046 40.823 40.800 -0.039 0.000 0.954 409 D HN 0.366 nan 8.370 nan 0.000 0.455 410 E N 0.190 120.334 120.200 -0.094 0.000 2.472 410 E HA -0.090 4.260 4.350 -0.001 0.000 0.200 410 E C 1.946 178.366 176.600 -0.299 0.000 1.046 410 E CA 0.140 56.494 56.400 -0.077 0.000 0.871 410 E CB -0.030 29.667 29.700 -0.004 0.000 0.806 410 E HN 0.435 nan 8.360 nan 0.000 0.533 411 L N 0.887 121.897 121.223 -0.355 0.000 2.191 411 L HA -0.162 4.178 4.340 -0.001 0.000 0.212 411 L C 2.341 178.915 176.870 -0.493 0.000 1.103 411 L CA 0.833 55.353 54.840 -0.533 0.000 0.769 411 L CB -0.174 41.626 42.059 -0.432 0.000 0.908 411 L HN -0.013 nan 8.230 nan 0.000 0.438 412 K N 0.192 120.435 120.400 -0.260 0.000 2.281 412 K HA -0.197 4.123 4.320 -0.001 0.000 0.203 412 K C 1.829 178.407 176.600 -0.036 0.000 1.046 412 K CA 1.340 57.556 56.287 -0.119 0.000 0.938 412 K CB -0.316 32.173 32.500 -0.017 0.000 0.737 412 K HN 0.638 nan 8.250 nan 0.000 0.458 413 W N 0.460 121.733 121.300 -0.044 0.000 2.465 413 W HA -0.069 4.590 4.660 -0.001 0.000 0.268 413 W C 1.338 177.838 176.519 -0.031 0.000 1.242 413 W CA 0.183 57.514 57.345 -0.024 0.000 1.248 413 W CB -0.895 28.506 29.460 -0.098 0.000 1.118 413 W HN -0.116 nan 8.180 nan 0.000 0.587 414 I N 1.924 122.254 120.570 -0.400 0.000 2.264 414 I HA -0.279 3.890 4.170 -0.001 0.000 0.248 414 I C 1.398 177.484 176.117 -0.052 0.000 1.111 414 I CA 1.619 62.684 61.300 -0.392 0.000 1.382 414 I CB -0.703 36.840 38.000 -0.762 0.000 1.060 414 I HN -0.168 nan 8.210 nan 0.000 0.418 415 D N 0.355 120.744 120.400 -0.019 0.000 2.332 415 D HA -0.139 4.501 4.640 -0.001 0.000 0.244 415 D C 1.485 177.876 176.300 0.152 0.000 1.136 415 D CA 0.139 54.160 54.000 0.036 0.000 0.884 415 D CB -0.273 40.528 40.800 0.001 0.000 0.906 415 D HN 0.549 nan 8.370 nan 0.000 0.520 416 W N 1.000 122.331 121.300 0.051 0.000 2.321 416 W HA -0.136 4.524 4.660 -0.001 0.000 0.306 416 W C -0.068 176.487 176.519 0.059 0.000 1.217 416 W CA 0.794 58.190 57.345 0.085 0.000 1.257 416 W CB 0.226 29.756 29.460 0.115 0.000 1.145 416 W HN -0.032 nan 8.180 nan 0.000 0.509 417 L N -0.026 121.240 121.223 0.072 0.000 2.334 417 L HA 0.209 4.549 4.340 -0.001 0.000 0.270 417 L C -0.963 175.886 176.870 -0.035 0.000 1.018 417 L CA -2.238 52.575 54.840 -0.045 0.000 0.811 417 L CB 0.636 42.718 42.059 0.038 0.000 1.271 417 L HN -0.372 nan 8.230 nan 0.000 0.443 418 P HA -0.217 nan 4.420 nan 0.000 0.214 418 P C 0.163 177.446 177.300 -0.027 0.000 1.164 418 P CA 1.578 64.656 63.100 -0.036 0.000 0.942 418 P CB 0.103 31.789 31.700 -0.024 0.000 0.791 419 N N -0.507 118.181 118.700 -0.021 0.000 2.839 419 N HA 0.163 4.903 4.740 -0.001 0.000 0.314 419 N C 0.332 175.788 175.510 -0.090 0.000 1.449 419 N CA 0.014 53.043 53.050 -0.035 0.000 1.050 419 N CB -0.050 38.435 38.487 -0.003 0.000 1.364 419 N HN 0.064 nan 8.380 nan 0.000 0.512 420 G N 0.438 109.186 108.800 -0.087 0.000 2.224 420 G HA2 0.314 4.274 3.960 -0.001 0.000 0.239 420 G HA3 0.314 4.274 3.960 -0.001 0.000 0.239 420 G C -0.198 174.558 174.900 -0.241 0.000 1.240 420 G CA -0.076 44.943 45.100 -0.135 0.000 0.896 420 G HN 0.346 nan 8.290 nan 0.000 0.496 421 A N 3.490 126.007 122.820 -0.505 0.000 2.435 421 A HA 0.830 5.150 4.320 -0.001 0.000 0.304 421 A C -0.407 176.824 177.584 -0.589 0.000 1.064 421 A CA -0.873 50.817 52.037 -0.578 0.000 0.727 421 A CB 1.484 20.011 19.000 -0.788 0.000 1.284 421 A HN 1.089 nan 8.150 nan 0.000 0.415 422 H N 0.347 119.193 119.070 -0.374 0.000 2.731 422 H HA 0.853 5.408 4.556 -0.001 0.000 0.368 422 H C -1.818 173.478 175.328 -0.054 0.000 1.168 422 H CA -1.570 54.379 56.048 -0.164 0.000 1.181 422 H CB 1.509 31.174 29.762 -0.162 0.000 1.743 422 H HN 0.753 nan 8.280 nan 0.000 0.547 423 L N 1.375 122.598 121.223 0.001 0.000 2.464 423 L HA 0.482 4.822 4.340 -0.001 0.000 0.266 423 L C -2.020 174.778 176.870 -0.119 0.000 0.965 423 L CA -0.589 54.201 54.840 -0.083 0.000 0.833 423 L CB 1.692 43.787 42.059 0.061 0.000 1.296 423 L HN 0.438 nan 8.230 nan 0.000 0.405 424 F N 4.941 124.884 119.950 -0.013 0.000 2.408 424 F HA 0.456 4.983 4.527 -0.001 0.000 0.344 424 F C -0.389 175.473 175.800 0.103 0.000 1.112 424 F CA -0.346 57.649 58.000 -0.008 0.000 1.096 424 F CB 1.393 40.281 39.000 -0.187 0.000 1.129 424 F HN 0.375 nan 8.300 nan 0.000 0.486 425 F N 2.790 122.819 119.950 0.131 0.000 2.388 425 F HA 0.525 5.052 4.527 -0.001 0.000 0.358 425 F C -0.276 175.549 175.800 0.042 0.000 1.122 425 F CA -0.735 57.279 58.000 0.023 0.000 1.056 425 F CB 0.930 39.873 39.000 -0.095 0.000 1.155 425 F HN 0.294 nan 8.300 nan 0.000 0.461 426 S N 8.156 123.585 115.700 -0.453 0.000 2.060 426 S HA 0.313 4.783 4.470 -0.001 0.000 0.156 426 S C -2.754 171.661 174.600 -0.309 0.000 1.690 426 S CA -1.057 56.982 58.200 -0.268 0.000 1.238 426 S CB 0.298 63.607 63.200 0.181 0.000 1.150 426 S HN 0.452 nan 8.310 nan 0.000 0.437 427 P HA 0.363 nan 4.420 nan 0.000 0.274 427 P C -0.627 176.579 177.300 -0.157 0.000 1.256 427 P CA -0.533 62.384 63.100 -0.304 0.000 0.795 427 P CB 0.726 32.222 31.700 -0.339 0.000 1.038 428 I N -0.037 120.483 120.570 -0.084 0.000 2.525 428 I HA 0.602 4.772 4.170 -0.001 0.000 0.301 428 I C 0.520 176.626 176.117 -0.018 0.000 0.992 428 I CA -1.008 60.256 61.300 -0.060 0.000 1.162 428 I CB 1.045 39.014 38.000 -0.052 0.000 1.332 428 I HN 0.436 nan 8.210 nan 0.000 0.458 429 A N 5.609 128.442 122.820 0.020 0.000 2.479 429 A HA 0.665 4.985 4.320 -0.001 0.000 0.296 429 A C -0.312 177.338 177.584 0.110 0.000 1.121 429 A CA -0.777 51.276 52.037 0.026 0.000 0.743 429 A CB 1.444 20.435 19.000 -0.014 0.000 1.323 429 A HN 0.670 nan 8.150 nan 0.000 0.415 430 K N -0.196 120.294 120.400 0.150 0.000 2.180 430 K HA 0.379 4.699 4.320 -0.001 0.000 0.251 430 K C -0.436 176.182 176.600 0.030 0.000 1.014 430 K CA -0.272 56.074 56.287 0.099 0.000 0.913 430 K CB 0.821 33.390 32.500 0.115 0.000 1.008 430 K HN 0.328 nan 8.250 nan 0.000 0.490 431 V N 2.490 122.411 119.914 0.012 0.000 2.008 431 V HA 0.044 4.163 4.120 -0.001 0.000 0.262 431 V C -0.164 175.896 176.094 -0.057 0.000 1.580 431 V CA -0.110 62.171 62.300 -0.032 0.000 1.515 431 V CB -0.904 30.916 31.823 -0.006 0.000 1.474 431 V HN 0.719 nan 8.190 nan 0.000 0.504 432 S N 1.180 116.835 115.700 -0.075 0.000 2.548 432 S HA 0.620 5.089 4.470 -0.001 0.000 0.276 432 S C 1.073 175.601 174.600 -0.119 0.000 1.129 432 S CA 0.054 58.208 58.200 -0.076 0.000 0.931 432 S CB 1.990 65.174 63.200 -0.026 0.000 1.068 432 S HN 0.494 nan 8.310 nan 0.000 0.480 433 G N 2.080 110.798 108.800 -0.138 0.000 2.446 433 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 433 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 433 G C 1.034 175.867 174.900 -0.110 0.000 1.168 433 G CA 1.208 46.207 45.100 -0.169 0.000 0.771 433 G HN 0.919 nan 8.290 nan 0.000 0.551 434 E N 0.251 120.419 120.200 -0.052 0.000 2.049 434 E HA -0.221 4.129 4.350 -0.001 0.000 0.198 434 E C 2.036 178.669 176.600 0.055 0.000 1.007 434 E CA 1.633 58.034 56.400 0.001 0.000 0.809 434 E CB -0.266 29.442 29.700 0.012 0.000 0.749 434 E HN 0.393 nan 8.360 nan 0.000 0.450 435 D N -0.626 119.817 120.400 0.073 0.000 2.117 435 D HA -0.073 4.566 4.640 -0.001 0.000 0.198 435 D C 1.811 178.186 176.300 0.125 0.000 0.982 435 D CA 1.514 55.634 54.000 0.200 0.000 0.828 435 D CB -0.145 40.792 40.800 0.229 0.000 0.967 435 D HN 0.316 nan 8.370 nan 0.000 0.464 436 A N 0.095 122.878 122.820 -0.062 0.000 1.898 436 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 436 A C 2.152 179.687 177.584 -0.081 0.000 1.181 436 A CA 1.205 53.114 52.037 -0.213 0.000 0.620 436 A CB -0.448 18.189 19.000 -0.605 0.000 0.819 436 A HN 0.200 nan 8.150 nan 0.000 0.442 437 M N -1.355 118.217 119.600 -0.048 0.000 2.117 437 M HA -0.091 4.389 4.480 -0.001 0.000 0.262 437 M C 2.370 178.766 176.300 0.159 0.000 1.065 437 M CA 1.838 57.184 55.300 0.076 0.000 1.114 437 M CB -1.022 31.600 32.600 0.037 0.000 1.361 437 M HN 0.637 nan 8.290 nan 0.000 0.408 438 M N -0.252 119.453 119.600 0.174 0.000 2.159 438 M HA -0.263 4.217 4.480 -0.001 0.000 0.263 438 M C 2.202 178.686 176.300 0.307 0.000 1.063 438 M CA 1.725 57.185 55.300 0.268 0.000 1.110 438 M CB -0.165 32.648 32.600 0.354 0.000 1.374 438 M HN 0.279 nan 8.290 nan 0.000 0.411 439 Q N -1.035 118.828 119.800 0.104 0.000 2.083 439 Q HA -0.221 4.118 4.340 -0.001 0.000 0.198 439 Q C 1.955 178.038 176.000 0.138 0.000 0.969 439 Q CA 1.584 57.243 55.803 -0.239 0.000 0.838 439 Q CB -0.296 27.986 28.738 -0.759 0.000 0.900 439 Q HN 0.688 nan 8.270 nan 0.000 0.436 440 Y N 0.531 120.890 120.300 0.098 0.000 2.145 440 Y HA -0.196 4.354 4.550 -0.001 0.000 0.286 440 Y C 1.949 177.856 175.900 0.011 0.000 1.145 440 Y CA 1.515 59.678 58.100 0.103 0.000 1.148 440 Y CB -0.761 37.743 38.460 0.073 0.000 0.981 440 Y HN 0.180 nan 8.280 nan 0.000 0.507 441 A N -0.352 122.406 122.820 -0.103 0.000 1.877 441 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 441 A C 2.454 179.988 177.584 -0.083 0.000 1.186 441 A CA 2.157 54.078 52.037 -0.193 0.000 0.620 441 A CB -1.405 17.575 19.000 -0.034 0.000 0.822 441 A HN 0.339 nan 8.150 nan 0.000 0.443 442 V N -0.304 119.642 119.914 0.053 0.000 2.255 442 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 442 V C 2.803 178.926 176.094 0.048 0.000 1.051 442 V CA 2.652 65.008 62.300 0.094 0.000 1.018 442 V CB -1.186 30.775 31.823 0.229 0.000 0.641 442 V HN 0.629 nan 8.190 nan 0.000 0.445 443 T N -0.829 113.771 114.554 0.077 0.000 2.746 443 T HA -0.229 4.121 4.350 -0.001 0.000 0.267 443 T C 1.955 176.707 174.700 0.087 0.000 1.039 443 T CA 1.815 63.978 62.100 0.105 0.000 1.142 443 T CB -0.189 68.847 68.868 0.280 0.000 0.866 443 T HN 0.438 nan 8.240 nan 0.000 0.444 444 K N 1.196 121.545 120.400 -0.085 0.000 2.057 444 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 444 K C 2.358 178.937 176.600 -0.035 0.000 1.049 444 K CA 1.329 57.534 56.287 -0.138 0.000 0.931 444 K CB -0.089 32.070 32.500 -0.568 0.000 0.714 444 K HN 0.200 nan 8.250 nan 0.000 0.440 445 K N 0.312 120.680 120.400 -0.053 0.000 2.009 445 K HA -0.184 4.135 4.320 -0.001 0.000 0.210 445 K C 2.085 178.720 176.600 0.058 0.000 1.049 445 K CA 1.410 57.699 56.287 0.003 0.000 0.929 445 K CB 0.005 32.508 32.500 0.005 0.000 0.714 445 K HN 0.041 nan 8.250 nan 0.000 0.440 446 R N 0.464 120.996 120.500 0.052 0.000 2.092 446 R HA -0.079 4.260 4.340 -0.001 0.000 0.231 446 R C 2.486 178.865 176.300 0.133 0.000 1.119 446 R CA 1.164 57.317 56.100 0.089 0.000 0.970 446 R CB -1.271 28.994 30.300 -0.059 0.000 0.864 446 R HN 0.376 nan 8.270 nan 0.000 0.440 447 C N 0.732 120.091 119.300 0.099 0.000 2.413 447 C HA -0.117 4.343 4.460 -0.001 0.000 0.276 447 C C 2.773 177.841 174.990 0.130 0.000 1.248 447 C CA 0.774 59.864 59.018 0.120 0.000 1.742 447 C CB -0.688 27.145 27.740 0.155 0.000 2.017 447 C HN 0.458 nan 8.230 nan 0.000 0.481 448 Q N 0.815 120.683 119.800 0.112 0.000 2.079 448 Q HA -0.138 4.201 4.340 -0.001 0.000 0.200 448 Q C 1.990 178.046 176.000 0.093 0.000 0.974 448 Q CA 1.608 57.468 55.803 0.094 0.000 0.840 448 Q CB -0.272 28.508 28.738 0.069 0.000 0.898 448 Q HN 0.651 nan 8.270 nan 0.000 0.430 449 E N -0.812 119.460 120.200 0.120 0.000 2.160 449 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 449 E C 1.423 178.065 176.600 0.070 0.000 0.991 449 E CA 0.921 57.384 56.400 0.105 0.000 0.810 449 E CB -0.117 29.702 29.700 0.199 0.000 0.742 449 E HN 0.399 nan 8.360 nan 0.000 0.466 450 A N 0.185 123.103 122.820 0.162 0.000 2.208 450 A HA 0.262 4.581 4.320 -0.001 0.000 0.209 450 A C 1.667 179.298 177.584 0.079 0.000 1.161 450 A CA 0.735 52.850 52.037 0.131 0.000 0.782 450 A CB -0.150 18.997 19.000 0.245 0.000 0.816 450 A HN 0.313 nan 8.150 nan 0.000 0.477 451 G N -1.278 107.568 108.800 0.077 0.000 2.137 451 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.237 451 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.237 451 G C -0.125 174.839 174.900 0.107 0.000 1.002 451 G CA 0.349 45.494 45.100 0.075 0.000 0.702 451 G HN 0.452 nan 8.290 nan 0.000 0.515 452 L N 0.123 121.419 121.223 0.122 0.000 2.354 452 L HA 0.497 4.836 4.340 -0.001 0.000 0.269 452 L C -0.224 176.733 176.870 0.146 0.000 1.005 452 L CA -1.259 53.668 54.840 0.144 0.000 0.819 452 L CB 1.423 43.564 42.059 0.136 0.000 1.311 452 L HN -0.035 nan 8.230 nan 0.000 0.423 453 D N 1.351 121.855 120.400 0.173 0.000 2.424 453 D HA 0.081 4.721 4.640 -0.001 0.000 0.244 453 D C -0.507 175.826 176.300 0.056 0.000 1.134 453 D CA 0.184 54.273 54.000 0.148 0.000 0.881 453 D CB 1.303 42.222 40.800 0.199 0.000 1.191 453 D HN 0.166 nan 8.370 nan 0.000 0.445 454 F N 2.910 122.818 119.950 -0.070 0.000 2.467 454 F HA 0.299 4.826 4.527 -0.001 0.000 0.362 454 F C -0.268 175.318 175.800 -0.355 0.000 1.090 454 F CA -0.107 57.795 58.000 -0.163 0.000 1.202 454 F CB 0.225 39.142 39.000 -0.139 0.000 1.113 454 F HN 0.165 nan 8.300 nan 0.000 0.541 455 I N 5.828 125.725 120.570 -1.122 0.000 2.534 455 I HA 0.687 4.857 4.170 -0.001 0.000 0.288 455 I C -0.063 175.380 176.117 -1.123 0.000 1.077 455 I CA -0.579 60.150 61.300 -0.951 0.000 1.051 455 I CB 1.747 39.311 38.000 -0.727 0.000 1.234 455 I HN 0.798 nan 8.210 nan 0.000 0.425 456 G N 3.173 111.525 108.800 -0.747 0.000 2.506 456 G HA2 0.711 4.670 3.960 -0.001 0.000 0.292 456 G HA3 0.711 4.670 3.960 -0.001 0.000 0.292 456 G C -1.489 173.393 174.900 -0.030 0.000 1.425 456 G CA -0.484 44.374 45.100 -0.404 0.000 0.788 456 G HN 0.449 nan 8.290 nan 0.000 0.490 457 T N -0.705 113.851 114.554 0.004 0.000 2.903 457 T HA 0.680 5.030 4.350 -0.001 0.000 0.299 457 T C -1.405 173.307 174.700 0.020 0.000 1.093 457 T CA -0.533 61.627 62.100 0.100 0.000 1.002 457 T CB 1.910 70.800 68.868 0.036 0.000 1.127 457 T HN 0.359 nan 8.240 nan 0.000 0.488 458 F N 1.940 121.992 119.950 0.170 0.000 2.444 458 F HA 0.537 5.064 4.527 -0.001 0.000 0.342 458 F C 1.023 176.889 175.800 0.109 0.000 1.121 458 F CA -0.707 57.349 58.000 0.093 0.000 0.997 458 F CB 1.880 40.863 39.000 -0.029 0.000 1.130 458 F HN 0.662 nan 8.300 nan 0.000 0.454 459 T N 0.570 115.277 114.554 0.256 0.000 2.771 459 T HA 0.598 4.948 4.350 -0.001 0.000 0.281 459 T C -0.644 174.151 174.700 0.159 0.000 0.982 459 T CA -0.790 61.421 62.100 0.186 0.000 0.978 459 T CB 0.981 69.924 68.868 0.124 0.000 0.930 459 T HN 0.272 nan 8.240 nan 0.000 0.447 460 V N 4.479 124.494 119.914 0.169 0.000 2.372 460 V HA 0.549 4.668 4.120 -0.001 0.000 0.261 460 V C 1.326 177.482 176.094 0.103 0.000 1.055 460 V CA -0.415 61.980 62.300 0.159 0.000 0.930 460 V CB 0.137 32.094 31.823 0.225 0.000 1.031 460 V HN 1.152 nan 8.190 nan 0.000 0.479 461 G N 2.825 111.673 108.800 0.080 0.000 2.563 461 G HA2 0.367 4.327 3.960 -0.001 0.000 0.283 461 G HA3 0.367 4.327 3.960 -0.001 0.000 0.283 461 G C 0.662 175.607 174.900 0.075 0.000 1.309 461 G CA -0.547 44.584 45.100 0.051 0.000 1.022 461 G HN 0.623 nan 8.290 nan 0.000 0.501 462 M N -1.115 118.524 119.600 0.065 0.000 2.099 462 M HA 0.095 4.575 4.480 -0.001 0.000 0.262 462 M C 2.124 178.462 176.300 0.062 0.000 1.067 462 M CA 1.548 56.889 55.300 0.067 0.000 1.124 462 M CB 0.118 32.753 32.600 0.058 0.000 1.353 462 M HN 0.437 nan 8.290 nan 0.000 0.410 463 R N -0.250 120.286 120.500 0.060 0.000 2.565 463 R HA 0.172 4.512 4.340 -0.001 0.000 0.347 463 R C -0.933 175.403 176.300 0.060 0.000 1.010 463 R CA -0.047 56.084 56.100 0.052 0.000 1.126 463 R CB 0.607 30.934 30.300 0.045 0.000 1.331 463 R HN 0.381 nan 8.270 nan 0.000 0.552 464 E N -0.215 120.031 120.200 0.076 0.000 2.445 464 E HA 0.432 4.782 4.350 -0.001 0.000 0.279 464 E C -0.993 175.679 176.600 0.120 0.000 1.018 464 E CA -0.828 55.626 56.400 0.091 0.000 0.816 464 E CB 1.176 30.932 29.700 0.094 0.000 1.356 464 E HN -0.147 nan 8.360 nan 0.000 0.462 465 M N 1.171 120.855 119.600 0.141 0.000 2.395 465 M HA 0.409 4.889 4.480 -0.001 0.000 0.307 465 M C -1.345 175.106 176.300 0.251 0.000 1.091 465 M CA -0.907 54.518 55.300 0.207 0.000 0.919 465 M CB 1.977 34.705 32.600 0.213 0.000 1.662 465 M HN 0.572 nan 8.290 nan 0.000 0.440 466 H N 1.122 120.207 119.070 0.025 0.000 2.562 466 H HA 0.272 4.827 4.556 -0.001 0.000 0.314 466 H C -0.675 174.673 175.328 0.034 0.000 1.079 466 H CA 0.050 56.061 56.048 -0.062 0.000 1.349 466 H CB 0.267 29.885 29.762 -0.240 0.000 1.432 466 H HN 0.356 nan 8.280 nan 0.000 0.479 467 H N 4.686 123.715 119.070 -0.068 0.000 2.661 467 H HA 0.209 4.765 4.556 -0.001 0.000 0.290 467 H C -0.804 174.391 175.328 -0.222 0.000 1.082 467 H CA -1.135 54.733 56.048 -0.299 0.000 1.234 467 H CB -0.126 29.393 29.762 -0.404 0.000 1.387 467 H HN 0.432 nan 8.280 nan 0.000 0.476 468 I N 7.416 127.957 120.570 -0.047 0.000 2.281 468 I HA 0.086 4.256 4.170 -0.001 0.000 0.293 468 I C -0.026 175.980 176.117 -0.186 0.000 1.085 468 I CA -0.580 60.651 61.300 -0.115 0.000 1.257 468 I CB 0.366 38.299 38.000 -0.112 0.000 1.430 468 I HN 0.274 nan 8.210 nan 0.000 0.489 469 V N 6.013 125.788 119.914 -0.232 0.000 2.408 469 V HA 0.143 4.262 4.120 -0.001 0.000 0.267 469 V C 0.271 176.308 176.094 -0.095 0.000 1.047 469 V CA -0.400 61.737 62.300 -0.271 0.000 0.937 469 V CB 1.048 32.771 31.823 -0.167 0.000 0.999 469 V HN 0.747 nan 8.190 nan 0.000 0.472 470 C N 7.014 126.153 119.300 -0.269 0.000 2.200 470 C HA 0.487 4.947 4.460 -0.001 0.000 0.328 470 C C 0.534 175.420 174.990 -0.172 0.000 1.148 470 C CA -0.967 57.930 59.018 -0.202 0.000 1.624 470 C CB -1.369 25.949 27.740 -0.704 0.000 2.167 470 C HN 0.667 nan 8.230 nan 0.000 0.484 471 I N 4.232 124.794 120.570 -0.014 0.000 2.322 471 I HA 0.296 4.465 4.170 -0.001 0.000 0.292 471 I C 0.356 176.605 176.117 0.221 0.000 1.060 471 I CA 0.266 61.604 61.300 0.063 0.000 1.309 471 I CB 0.438 38.475 38.000 0.063 0.000 1.415 471 I HN 0.522 nan 8.210 nan 0.000 0.492 472 V N 7.829 127.877 119.914 0.224 0.000 2.581 472 V HA 0.771 4.891 4.120 -0.001 0.000 0.303 472 V C -0.871 175.426 176.094 0.338 0.000 1.041 472 V CA -0.326 62.128 62.300 0.257 0.000 0.907 472 V CB 1.661 33.634 31.823 0.250 0.000 0.994 472 V HN 0.609 nan 8.190 nan 0.000 0.442 473 F N 2.338 122.367 119.950 0.131 0.000 2.662 473 F HA 0.608 5.134 4.527 -0.001 0.000 0.312 473 F C -0.831 175.024 175.800 0.092 0.000 1.113 473 F CA -1.315 56.749 58.000 0.107 0.000 0.951 473 F CB 1.299 40.350 39.000 0.085 0.000 1.344 473 F HN 0.553 nan 8.300 nan 0.000 0.462 474 N N 1.882 120.712 118.700 0.217 0.000 2.401 474 N HA 0.104 4.844 4.740 -0.001 0.000 0.255 474 N C 0.574 176.212 175.510 0.212 0.000 1.110 474 N CA -0.215 52.901 53.050 0.111 0.000 0.949 474 N CB 1.218 39.775 38.487 0.116 0.000 1.110 474 N HN 0.878 nan 8.380 nan 0.000 0.490 475 K N 2.622 123.065 120.400 0.071 0.000 2.442 475 K HA -0.083 4.237 4.320 -0.001 0.000 0.198 475 K C 0.562 177.334 176.600 0.287 0.000 1.044 475 K CA 1.224 57.631 56.287 0.200 0.000 0.948 475 K CB 0.183 32.649 32.500 -0.056 0.000 0.762 475 K HN 0.391 nan 8.250 nan 0.000 0.472 476 K N 0.451 120.970 120.400 0.199 0.000 2.358 476 K HA 0.030 4.350 4.320 -0.001 0.000 0.200 476 K C -0.246 176.440 176.600 0.142 0.000 1.030 476 K CA -0.054 56.337 56.287 0.173 0.000 1.097 476 K CB 0.463 33.036 32.500 0.122 0.000 0.862 476 K HN 0.092 nan 8.250 nan 0.000 0.534 477 D N 1.762 122.257 120.400 0.158 0.000 2.468 477 D HA 0.082 4.721 4.640 -0.001 0.000 0.218 477 D C 1.062 177.436 176.300 0.122 0.000 1.155 477 D CA -0.067 54.009 54.000 0.126 0.000 0.924 477 D CB 0.354 41.230 40.800 0.127 0.000 1.029 477 D HN -0.001 nan 8.370 nan 0.000 0.515 478 L N 3.070 124.349 121.223 0.093 0.000 2.010 478 L HA -0.278 4.061 4.340 -0.001 0.000 0.219 478 L C 2.329 179.232 176.870 0.054 0.000 1.077 478 L CA 1.318 56.201 54.840 0.072 0.000 0.773 478 L CB -0.293 41.795 42.059 0.049 0.000 0.892 478 L HN 0.513 nan 8.230 nan 0.000 0.436 479 I N -1.209 119.388 120.570 0.045 0.000 2.315 479 I HA -0.299 3.871 4.170 -0.001 0.000 0.248 479 I C 2.664 178.800 176.117 0.031 0.000 1.117 479 I CA 1.203 62.520 61.300 0.028 0.000 1.404 479 I CB -0.215 37.796 38.000 0.018 0.000 1.071 479 I HN 0.392 nan 8.210 nan 0.000 0.419 480 Q N 1.145 120.979 119.800 0.056 0.000 2.123 480 Q HA -0.211 4.129 4.340 -0.001 0.000 0.199 480 Q C 2.151 178.160 176.000 0.015 0.000 0.966 480 Q CA 1.338 57.180 55.803 0.065 0.000 0.845 480 Q CB 0.158 28.970 28.738 0.123 0.000 0.907 480 Q HN 0.326 nan 8.270 nan 0.000 0.439 481 K N -0.021 120.389 120.400 0.016 0.000 2.063 481 K HA -0.164 4.156 4.320 -0.001 0.000 0.208 481 K C 2.178 178.737 176.600 -0.069 0.000 1.048 481 K CA 1.553 57.789 56.287 -0.085 0.000 0.928 481 K CB 0.005 32.527 32.500 0.037 0.000 0.713 481 K HN 0.119 nan 8.250 nan 0.000 0.442 482 R N 0.462 120.964 120.500 0.002 0.000 2.092 482 R HA -0.077 4.263 4.340 -0.001 0.000 0.231 482 R C 2.105 178.447 176.300 0.070 0.000 1.119 482 R CA 1.394 57.514 56.100 0.034 0.000 0.970 482 R CB -0.018 30.301 30.300 0.032 0.000 0.864 482 R HN 0.095 nan 8.270 nan 0.000 0.440 483 K N 0.002 120.431 120.400 0.048 0.000 2.097 483 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 483 K C 1.976 178.663 176.600 0.145 0.000 1.049 483 K CA 1.107 57.455 56.287 0.102 0.000 0.933 483 K CB 0.006 32.536 32.500 0.049 0.000 0.717 483 K HN -0.000 nan 8.250 nan 0.000 0.442 484 V N 1.584 121.494 119.914 -0.007 0.000 2.343 484 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 484 V C 2.227 178.285 176.094 -0.060 0.000 1.051 484 V CA 1.692 63.924 62.300 -0.114 0.000 1.036 484 V CB -0.413 31.143 31.823 -0.445 0.000 0.654 484 V HN 0.359 nan 8.190 nan 0.000 0.451 485 Q N -1.640 118.166 119.800 0.011 0.000 2.084 485 Q HA -0.284 4.056 4.340 -0.001 0.000 0.202 485 Q C 2.055 178.133 176.000 0.130 0.000 0.978 485 Q CA 2.320 58.196 55.803 0.122 0.000 0.844 485 Q CB -0.271 28.546 28.738 0.132 0.000 0.898 485 Q HN 0.824 nan 8.270 nan 0.000 0.426 486 W N 1.108 122.398 121.300 -0.016 0.000 2.355 486 W HA -0.238 4.422 4.660 -0.001 0.000 0.309 486 W C 1.826 178.310 176.519 -0.059 0.000 1.206 486 W CA 1.186 58.520 57.345 -0.019 0.000 1.284 486 W CB -0.410 29.038 29.460 -0.020 0.000 1.145 486 W HN 0.162 nan 8.180 nan 0.000 0.502 487 L N 1.007 122.199 121.223 -0.051 0.000 1.989 487 L HA -0.212 4.128 4.340 -0.001 0.000 0.211 487 L C 2.476 179.048 176.870 -0.498 0.000 1.071 487 L CA 2.828 57.474 54.840 -0.322 0.000 0.749 487 L CB -1.374 40.663 42.059 -0.036 0.000 0.890 487 L HN 0.212 nan 8.230 nan 0.000 0.431 488 M N -0.425 118.932 119.600 -0.406 0.000 2.067 488 M HA -0.186 4.293 4.480 -0.001 0.000 0.260 488 M C 2.378 178.398 176.300 -0.465 0.000 1.069 488 M CA 1.836 56.805 55.300 -0.551 0.000 1.117 488 M CB -0.415 31.704 32.600 -0.801 0.000 1.334 488 M HN 0.171 nan 8.290 nan 0.000 0.407 489 R N -1.244 119.087 120.500 -0.281 0.000 2.096 489 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 489 R C 2.023 178.158 176.300 -0.275 0.000 1.127 489 R CA 1.873 57.885 56.100 -0.146 0.000 0.968 489 R CB -1.002 29.293 30.300 -0.008 0.000 0.861 489 R HN 0.459 nan 8.270 nan 0.000 0.440 490 T N 1.729 115.969 114.554 -0.523 0.000 2.777 490 T HA -0.038 4.311 4.350 -0.001 0.000 0.266 490 T C 1.968 176.423 174.700 -0.409 0.000 1.040 490 T CA 0.860 62.632 62.100 -0.547 0.000 1.141 490 T CB -0.110 68.140 68.868 -1.030 0.000 0.868 490 T HN 0.115 nan 8.240 nan 0.000 0.444 491 L N 0.395 121.300 121.223 -0.530 0.000 2.046 491 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 491 L C 2.447 179.147 176.870 -0.283 0.000 1.077 491 L CA 1.211 55.707 54.840 -0.573 0.000 0.747 491 L CB -0.620 40.667 42.059 -1.286 0.000 0.896 491 L HN 0.264 nan 8.230 nan 0.000 0.432 492 I N -0.169 120.294 120.570 -0.178 0.000 2.151 492 I HA -0.341 3.829 4.170 -0.001 0.000 0.243 492 I C 2.161 178.332 176.117 0.090 0.000 1.080 492 I CA 1.421 62.802 61.300 0.134 0.000 1.339 492 I CB -0.447 37.632 38.000 0.132 0.000 1.039 492 I HN 0.308 nan 8.210 nan 0.000 0.409 493 D N 0.767 121.168 120.400 0.000 0.000 2.084 493 D HA -0.165 4.475 4.640 -0.001 0.000 0.196 493 D C 1.818 178.129 176.300 0.018 0.000 0.985 493 D CA 1.275 55.279 54.000 0.005 0.000 0.826 493 D CB -0.482 40.301 40.800 -0.028 0.000 0.978 493 D HN 0.279 nan 8.370 nan 0.000 0.456 494 D N 0.105 120.505 120.400 -0.000 0.000 2.123 494 D HA -0.124 4.516 4.640 -0.001 0.000 0.196 494 D C 2.231 178.614 176.300 0.139 0.000 0.992 494 D CA 0.639 54.664 54.000 0.043 0.000 0.833 494 D CB -0.571 40.247 40.800 0.029 0.000 0.954 494 D HN 0.217 nan 8.370 nan 0.000 0.455 495 C N 0.906 120.349 119.300 0.239 0.000 2.440 495 C HA 0.013 4.473 4.460 -0.001 0.000 0.278 495 C C 2.891 178.036 174.990 0.260 0.000 1.295 495 C CA 0.634 59.928 59.018 0.460 0.000 1.738 495 C CB -0.983 27.126 27.740 0.614 0.000 1.987 495 C HN 0.370 nan 8.230 nan 0.000 0.492 496 A N 0.467 123.365 122.820 0.129 0.000 1.930 496 A HA 0.104 4.424 4.320 -0.001 0.000 0.217 496 A C 2.289 179.845 177.584 -0.048 0.000 1.175 496 A CA 1.806 53.852 52.037 0.014 0.000 0.627 496 A CB -0.774 18.223 19.000 -0.004 0.000 0.815 496 A HN 0.574 nan 8.150 nan 0.000 0.443 497 A N -0.570 122.231 122.820 -0.031 0.000 2.216 497 A HA -0.054 4.266 4.320 -0.001 0.000 0.214 497 A C 1.412 178.911 177.584 -0.142 0.000 1.160 497 A CA 1.069 53.068 52.037 -0.064 0.000 0.725 497 A CB -0.385 18.597 19.000 -0.029 0.000 0.784 497 A HN 0.551 nan 8.150 nan 0.000 0.472 498 N N -0.763 117.789 118.700 -0.247 0.000 2.234 498 N HA 0.195 4.935 4.740 -0.001 0.000 0.227 498 N C 0.796 175.798 175.510 -0.847 0.000 1.151 498 N CA 0.683 53.399 53.050 -0.557 0.000 0.865 498 N CB 0.695 38.722 38.487 -0.767 0.000 1.066 498 N HN 0.517 nan 8.380 nan 0.000 0.515 499 G N 0.784 109.299 108.800 -0.476 0.000 2.160 499 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.251 499 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.251 499 G C -0.586 174.120 174.900 -0.323 0.000 1.008 499 G CA -0.191 44.673 45.100 -0.393 0.000 0.724 499 G HN 0.263 nan 8.290 nan 0.000 0.514 500 W N -0.265 121.026 121.300 -0.014 0.000 2.702 500 W HA 0.701 5.360 4.660 -0.001 0.000 0.331 500 W C 0.455 176.942 176.519 -0.052 0.000 1.049 500 W CA -0.970 56.369 57.345 -0.010 0.000 1.230 500 W CB 1.896 31.384 29.460 0.047 0.000 1.408 500 W HN 0.476 nan 8.180 nan 0.000 0.492 501 G N 1.480 110.371 108.800 0.151 0.000 2.511 501 G HA2 0.564 4.524 3.960 -0.001 0.000 0.318 501 G HA3 0.564 4.524 3.960 -0.001 0.000 0.318 501 G C -1.238 173.737 174.900 0.126 0.000 1.210 501 G CA -0.539 44.575 45.100 0.022 0.000 0.969 501 G HN 0.222 nan 8.290 nan 0.000 0.484 502 E N -0.923 119.365 120.200 0.147 0.000 2.283 502 E HA 0.314 4.664 4.350 -0.001 0.000 0.271 502 E C 0.145 176.829 176.600 0.141 0.000 1.031 502 E CA -0.524 55.911 56.400 0.059 0.000 0.868 502 E CB 1.284 30.977 29.700 -0.012 0.000 1.094 502 E HN 0.555 nan 8.360 nan 0.000 0.401 503 Y N 1.543 121.786 120.300 -0.095 0.000 2.497 503 Y HA 0.364 4.914 4.550 -0.001 0.000 0.265 503 Y C 0.272 176.091 175.900 -0.135 0.000 1.111 503 Y CA -0.030 57.989 58.100 -0.134 0.000 1.288 503 Y CB 0.646 38.951 38.460 -0.259 0.000 1.082 503 Y HN 0.309 nan 8.280 nan 0.000 0.536 504 R N 0.423 120.507 120.500 -0.692 0.000 2.604 504 R HA 0.497 4.836 4.340 -0.001 0.000 0.261 504 R C -1.681 174.371 176.300 -0.413 0.000 1.080 504 R CA 0.115 55.714 56.100 -0.835 0.000 0.917 504 R CB 1.438 30.759 30.300 -1.632 0.000 1.252 504 R HN 0.276 nan 8.270 nan 0.000 0.456 505 T N -0.641 113.750 114.554 -0.273 0.000 2.754 505 T HA 0.309 4.658 4.350 -0.001 0.000 0.296 505 T C -1.027 173.860 174.700 0.312 0.000 1.205 505 T CA -0.906 61.293 62.100 0.166 0.000 1.009 505 T CB 0.939 69.979 68.868 0.287 0.000 1.368 505 T HN 0.592 nan 8.240 nan 0.000 0.509 506 H N 0.327 119.664 119.070 0.446 0.000 2.615 506 H HA 0.326 4.881 4.556 -0.001 0.000 0.363 506 H C 1.183 176.590 175.328 0.132 0.000 1.148 506 H CA -0.440 55.818 56.048 0.350 0.000 1.401 506 H CB 0.772 30.800 29.762 0.444 0.000 1.461 506 H HN 0.611 nan 8.280 nan 0.000 0.588 507 L N 3.233 124.184 121.223 -0.454 0.000 2.064 507 L HA -0.301 4.039 4.340 -0.001 0.000 0.216 507 L C 2.622 179.340 176.870 -0.254 0.000 1.077 507 L CA 1.877 56.412 54.840 -0.508 0.000 0.766 507 L CB -0.737 40.585 42.059 -1.228 0.000 0.890 507 L HN 0.677 nan 8.230 nan 0.000 0.435 508 A N -1.246 121.547 122.820 -0.045 0.000 2.168 508 A HA -0.050 4.270 4.320 -0.001 0.000 0.215 508 A C 1.541 178.711 177.584 -0.690 0.000 1.152 508 A CA 1.062 52.933 52.037 -0.277 0.000 0.716 508 A CB -0.456 18.219 19.000 -0.543 0.000 0.794 508 A HN 0.447 nan 8.150 nan 0.000 0.465 509 F N -2.079 117.993 119.950 0.204 0.000 2.706 509 F HA 0.313 4.840 4.527 -0.001 0.000 0.313 509 F C 1.818 177.707 175.800 0.148 0.000 1.096 509 F CA -0.201 57.898 58.000 0.163 0.000 1.219 509 F CB -0.310 38.792 39.000 0.169 0.000 1.051 509 F HN 0.022 nan 8.300 nan 0.000 0.568 510 M N 0.188 119.907 119.600 0.199 0.000 2.108 510 M HA -0.216 4.264 4.480 -0.001 0.000 0.261 510 M C 1.600 177.994 176.300 0.158 0.000 1.066 510 M CA 1.709 57.093 55.300 0.141 0.000 1.107 510 M CB -0.374 32.255 32.600 0.049 0.000 1.356 510 M HN 0.058 nan 8.290 nan 0.000 0.406 511 D N 0.007 120.518 120.400 0.184 0.000 2.084 511 D HA -0.198 4.442 4.640 -0.001 0.000 0.194 511 D C 1.925 178.339 176.300 0.189 0.000 0.990 511 D CA 1.312 55.436 54.000 0.207 0.000 0.826 511 D CB -0.507 40.440 40.800 0.245 0.000 0.971 511 D HN 0.477 nan 8.370 nan 0.000 0.453 512 Q N 0.285 120.202 119.800 0.195 0.000 2.096 512 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 512 Q C 2.407 178.533 176.000 0.210 0.000 0.982 512 Q CA 1.024 56.944 55.803 0.195 0.000 0.850 512 Q CB -0.080 28.792 28.738 0.223 0.000 0.901 512 Q HN 0.296 nan 8.270 nan 0.000 0.422 513 I N 0.029 120.746 120.570 0.246 0.000 2.315 513 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 513 I C 2.405 178.722 176.117 0.333 0.000 1.117 513 I CA 0.657 62.121 61.300 0.272 0.000 1.404 513 I CB -0.119 38.044 38.000 0.273 0.000 1.071 513 I HN 0.360 nan 8.210 nan 0.000 0.419 514 M N 1.133 120.893 119.600 0.266 0.000 2.159 514 M HA -0.224 4.255 4.480 -0.001 0.000 0.263 514 M C 2.016 178.497 176.300 0.302 0.000 1.063 514 M CA 1.824 57.297 55.300 0.288 0.000 1.110 514 M CB -0.437 32.278 32.600 0.191 0.000 1.374 514 M HN 0.064 nan 8.290 nan 0.000 0.411 515 E N -0.895 119.438 120.200 0.221 0.000 2.265 515 E HA -0.138 4.211 4.350 -0.001 0.000 0.196 515 E C 1.679 178.370 176.600 0.152 0.000 0.996 515 E CA 1.812 58.316 56.400 0.175 0.000 0.832 515 E CB -0.590 29.191 29.700 0.134 0.000 0.756 515 E HN 0.536 nan 8.360 nan 0.000 0.491 516 T N -0.490 114.146 114.554 0.137 0.000 2.833 516 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 516 T C 0.013 174.670 174.700 -0.072 0.000 1.054 516 T CA 0.980 63.084 62.100 0.006 0.000 1.135 516 T CB -0.315 68.531 68.868 -0.037 0.000 0.869 516 T HN 0.232 nan 8.240 nan 0.000 0.466 517 Y N 2.751 123.105 120.300 0.090 0.000 2.960 517 Y HA 0.220 4.769 4.550 -0.001 0.000 0.393 517 Y C 1.061 177.051 175.900 0.149 0.000 1.118 517 Y CA -0.934 57.209 58.100 0.072 0.000 1.850 517 Y CB -0.617 37.836 38.460 -0.012 0.000 1.827 517 Y HN 0.247 nan 8.280 nan 0.000 0.463 518 N N -1.567 117.266 118.700 0.221 0.000 2.273 518 N HA -0.064 4.676 4.740 -0.001 0.000 0.231 518 N C -0.172 175.457 175.510 0.197 0.000 1.134 518 N CA -0.558 52.615 53.050 0.206 0.000 0.856 518 N CB -0.322 38.246 38.487 0.135 0.000 1.068 518 N HN 0.384 nan 8.380 nan 0.000 0.510 519 W N 2.609 123.950 121.300 0.069 0.000 2.377 519 W HA 0.034 4.694 4.660 -0.001 0.000 0.341 519 W C 0.861 177.419 176.519 0.065 0.000 1.240 519 W CA 1.155 58.529 57.345 0.049 0.000 1.311 519 W CB -0.085 29.397 29.460 0.036 0.000 1.175 519 W HN 0.485 nan 8.180 nan 0.000 0.571 520 N N 4.802 122.900 118.700 -1.002 0.000 2.714 520 N HA -0.335 4.405 4.740 -0.001 0.000 0.253 520 N C -0.309 175.022 175.510 -0.297 0.000 1.024 520 N CA 0.718 53.265 53.050 -0.837 0.000 0.726 520 N CB -1.206 36.601 38.487 -1.132 0.000 0.908 520 N HN 0.785 nan 8.380 nan 0.000 0.542 521 N N -0.324 118.266 118.700 -0.182 0.000 2.725 521 N HA -0.181 4.558 4.740 -0.001 0.000 0.251 521 N C -0.382 175.141 175.510 0.021 0.000 1.031 521 N CA 1.484 54.499 53.050 -0.059 0.000 0.720 521 N CB -1.485 36.962 38.487 -0.067 0.000 0.930 521 N HN 0.605 nan 8.380 nan 0.000 0.543 522 S N -2.420 113.326 115.700 0.076 0.000 3.698 522 S HA -0.231 4.239 4.470 -0.001 0.000 0.338 522 S C 1.316 176.023 174.600 0.180 0.000 1.089 522 S CA 0.943 59.237 58.200 0.157 0.000 0.991 522 S CB -1.278 62.010 63.200 0.146 0.000 0.909 522 S HN 0.708 nan 8.310 nan 0.000 0.485 523 S N -0.216 115.589 115.700 0.175 0.000 2.370 523 S HA -0.136 4.334 4.470 -0.001 0.000 0.226 523 S C 1.348 176.108 174.600 0.266 0.000 1.033 523 S CA 1.869 60.183 58.200 0.191 0.000 1.011 523 S CB -0.265 63.042 63.200 0.179 0.000 0.852 523 S HN 0.663 nan 8.310 nan 0.000 0.457 524 F N 1.673 121.733 119.950 0.185 0.000 2.095 524 F HA -0.072 4.455 4.527 -0.001 0.000 0.298 524 F C 1.870 177.774 175.800 0.173 0.000 1.104 524 F CA 1.651 59.757 58.000 0.177 0.000 1.232 524 F CB -0.558 38.539 39.000 0.162 0.000 0.987 524 F HN 0.298 nan 8.300 nan 0.000 0.475 525 L N 0.708 122.046 121.223 0.193 0.000 2.056 525 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 525 L C 2.438 179.335 176.870 0.045 0.000 1.078 525 L CA 1.473 56.352 54.840 0.065 0.000 0.749 525 L CB -0.800 41.358 42.059 0.165 0.000 0.901 525 L HN -0.053 nan 8.230 nan 0.000 0.433 526 R N -0.646 119.917 120.500 0.106 0.000 2.080 526 R HA -0.227 4.112 4.340 -0.001 0.000 0.236 526 R C 2.258 178.602 176.300 0.072 0.000 1.137 526 R CA 2.050 58.210 56.100 0.099 0.000 0.943 526 R CB -1.617 28.753 30.300 0.116 0.000 0.846 526 R HN 0.441 nan 8.270 nan 0.000 0.431 527 F N 2.625 122.539 119.950 -0.059 0.000 2.091 527 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 527 F C 2.057 177.760 175.800 -0.162 0.000 1.103 527 F CA 1.511 59.453 58.000 -0.097 0.000 1.228 527 F CB -0.389 38.553 39.000 -0.096 0.000 0.984 527 F HN 0.028 nan 8.300 nan 0.000 0.477 528 N N 0.559 119.117 118.700 -0.237 0.000 2.104 528 N HA -0.195 4.544 4.740 -0.001 0.000 0.190 528 N C 1.786 177.142 175.510 -0.256 0.000 1.024 528 N CA 1.778 54.622 53.050 -0.343 0.000 0.853 528 N CB -0.384 37.876 38.487 -0.379 0.000 1.008 528 N HN 0.524 nan 8.380 nan 0.000 0.424 529 E N 0.337 120.455 120.200 -0.137 0.000 2.110 529 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 529 E C 2.054 178.593 176.600 -0.102 0.000 0.988 529 E CA 0.678 57.040 56.400 -0.064 0.000 0.804 529 E CB 0.090 29.814 29.700 0.040 0.000 0.745 529 E HN 0.077 nan 8.360 nan 0.000 0.458 530 V N 1.433 121.255 119.914 -0.152 0.000 2.343 530 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 530 V C 2.248 178.200 176.094 -0.236 0.000 1.051 530 V CA 1.526 63.724 62.300 -0.170 0.000 1.036 530 V CB -0.432 31.279 31.823 -0.187 0.000 0.654 530 V HN 0.283 nan 8.190 nan 0.000 0.451 531 L N -0.129 120.870 121.223 -0.373 0.000 2.046 531 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 531 L C 2.595 179.340 176.870 -0.209 0.000 1.077 531 L CA 1.745 56.381 54.840 -0.339 0.000 0.747 531 L CB -0.712 41.080 42.059 -0.445 0.000 0.896 531 L HN 0.297 nan 8.230 nan 0.000 0.432 532 K N 0.746 121.036 120.400 -0.183 0.000 2.057 532 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 532 K C 1.829 178.388 176.600 -0.068 0.000 1.049 532 K CA 1.465 57.681 56.287 -0.118 0.000 0.931 532 K CB -0.239 32.197 32.500 -0.106 0.000 0.714 532 K HN 0.176 nan 8.250 nan 0.000 0.440 533 N N 0.437 119.105 118.700 -0.054 0.000 2.244 533 N HA -0.089 4.650 4.740 -0.001 0.000 0.183 533 N C 1.556 177.049 175.510 -0.029 0.000 1.016 533 N CA 1.325 54.362 53.050 -0.021 0.000 0.866 533 N CB -0.310 38.171 38.487 -0.011 0.000 0.980 533 N HN 0.354 nan 8.380 nan 0.000 0.430 534 A N 0.693 123.480 122.820 -0.055 0.000 1.898 534 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 534 A C 2.329 179.892 177.584 -0.034 0.000 1.181 534 A CA 1.744 53.753 52.037 -0.047 0.000 0.620 534 A CB -0.569 18.391 19.000 -0.068 0.000 0.819 534 A HN 0.212 nan 8.150 nan 0.000 0.442 535 V N -3.268 116.621 119.914 -0.042 0.000 3.052 535 V HA 0.158 4.278 4.120 -0.001 0.000 0.254 535 V C 0.492 176.584 176.094 -0.003 0.000 1.100 535 V CA 1.508 63.797 62.300 -0.019 0.000 1.112 535 V CB -0.049 31.762 31.823 -0.021 0.000 0.738 535 V HN 0.352 nan 8.190 nan 0.000 0.469 536 D N 0.916 121.312 120.400 -0.006 0.000 2.513 536 D HA 0.362 5.001 4.640 -0.001 0.000 0.295 536 D C -1.710 174.605 176.300 0.025 0.000 1.202 536 D CA -2.020 51.987 54.000 0.012 0.000 0.849 536 D CB 1.408 42.211 40.800 0.006 0.000 1.116 536 D HN 0.210 nan 8.370 nan 0.000 0.502 537 P HA -0.078 nan 4.420 nan 0.000 0.219 537 P C 0.643 177.969 177.300 0.043 0.000 1.146 537 P CA 0.782 63.899 63.100 0.028 0.000 0.808 537 P CB 0.445 32.156 31.700 0.019 0.000 0.779 538 N N -0.955 117.778 118.700 0.055 0.000 2.280 538 N HA 0.081 4.821 4.740 -0.001 0.000 0.192 538 N C 1.127 176.702 175.510 0.110 0.000 1.109 538 N CA 0.793 53.887 53.050 0.073 0.000 0.855 538 N CB -0.272 38.261 38.487 0.075 0.000 0.974 538 N HN 0.117 nan 8.380 nan 0.000 0.482 539 G N 2.229 111.095 108.800 0.109 0.000 2.356 539 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.296 539 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.296 539 G C 0.863 175.854 174.900 0.152 0.000 1.022 539 G CA 0.774 45.958 45.100 0.141 0.000 0.961 539 G HN 0.569 nan 8.290 nan 0.000 0.510 540 I N -2.968 117.673 120.570 0.118 0.000 3.603 540 I HA 0.378 4.548 4.170 -0.001 0.000 0.297 540 I C 0.578 176.748 176.117 0.088 0.000 1.269 540 I CA -0.261 61.120 61.300 0.136 0.000 1.361 540 I CB 0.127 38.216 38.000 0.149 0.000 1.063 540 I HN 0.017 nan 8.210 nan 0.000 0.448 541 I N 3.357 123.945 120.570 0.030 0.000 2.291 541 I HA 0.298 4.467 4.170 -0.001 0.000 0.292 541 I C 1.116 177.190 176.117 -0.071 0.000 1.064 541 I CA -0.669 60.620 61.300 -0.018 0.000 1.269 541 I CB -0.044 37.930 38.000 -0.043 0.000 1.418 541 I HN 0.343 nan 8.210 nan 0.000 0.485 542 A N 8.103 130.900 122.820 -0.038 0.000 2.364 542 A HA -0.137 4.182 4.320 -0.001 0.000 0.288 542 A C -2.012 175.501 177.584 -0.118 0.000 1.433 542 A CA -0.372 51.656 52.037 -0.016 0.000 0.757 542 A CB -1.794 16.979 19.000 -0.378 0.000 1.098 542 A HN 0.554 nan 8.150 nan 0.000 0.380 543 P HA 0.287 nan 4.420 nan 0.000 0.262 543 P C 1.234 178.013 177.300 -0.868 0.000 1.182 543 P CA 1.697 64.465 63.100 -0.554 0.000 0.761 543 P CB 0.554 31.699 31.700 -0.925 0.000 0.795 544 G N 1.713 109.727 108.800 -1.309 0.000 2.195 544 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.246 544 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.246 544 G C 0.274 174.700 174.900 -0.790 0.000 0.984 544 G CA 0.198 44.124 45.100 -1.957 0.000 0.633 544 G HN 0.742 nan 8.290 nan 0.000 0.525 545 K N 1.495 121.654 120.400 -0.402 0.000 2.472 545 K HA 0.452 4.772 4.320 -0.001 0.000 0.280 545 K C 1.199 177.655 176.600 -0.239 0.000 1.028 545 K CA 1.135 57.311 56.287 -0.186 0.000 1.045 545 K CB -0.017 32.341 32.500 -0.238 0.000 0.902 545 K HN 0.874 nan 8.250 nan 0.000 0.478 546 S N 2.807 118.412 115.700 -0.159 0.000 3.476 546 S HA -0.168 4.301 4.470 -0.001 0.000 0.309 546 S C 0.865 175.404 174.600 -0.102 0.000 1.222 546 S CA 1.197 59.323 58.200 -0.123 0.000 0.922 546 S CB -2.045 61.071 63.200 -0.141 0.000 1.023 546 S HN 1.419 nan 8.310 nan 0.000 0.591 547 G N -1.304 107.405 108.800 -0.152 0.000 2.184 547 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.264 547 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.264 547 G C 0.037 174.835 174.900 -0.170 0.000 0.975 547 G CA 0.085 45.140 45.100 -0.074 0.000 0.642 547 G HN 1.324 nan 8.290 nan 0.000 0.536 548 V N 0.705 120.428 119.914 -0.318 0.000 2.320 548 V HA 0.541 4.661 4.120 -0.001 0.000 0.265 548 V C 0.028 175.933 176.094 -0.316 0.000 1.048 548 V CA -0.527 61.645 62.300 -0.212 0.000 0.865 548 V CB 0.029 31.741 31.823 -0.187 0.000 1.043 548 V HN 0.301 nan 8.190 nan 0.000 0.474 549 W N 6.683 128.000 121.300 0.030 0.000 2.520 549 W HA 0.556 5.216 4.660 -0.001 0.000 0.323 549 W C -2.062 174.506 176.519 0.081 0.000 1.062 549 W CA -2.305 55.066 57.345 0.044 0.000 1.215 549 W CB 1.088 30.666 29.460 0.196 0.000 1.340 549 W HN 0.318 nan 8.180 nan 0.000 0.516 550 P HA 0.034 nan 4.420 nan 0.000 0.274 550 P C 0.815 178.275 177.300 0.268 0.000 1.246 550 P CA -0.112 63.117 63.100 0.215 0.000 0.795 550 P CB 0.989 32.800 31.700 0.186 0.000 1.006 551 S N 0.253 116.047 115.700 0.157 0.000 2.469 551 S HA -0.200 4.270 4.470 -0.001 0.000 0.238 551 S C 1.424 176.082 174.600 0.097 0.000 0.998 551 S CA 0.673 58.932 58.200 0.099 0.000 0.957 551 S CB -0.891 62.335 63.200 0.044 0.000 0.764 551 S HN 0.564 nan 8.310 nan 0.000 0.514 552 Q N -0.055 119.823 119.800 0.130 0.000 2.435 552 Q HA 0.042 4.381 4.340 -0.001 0.000 0.207 552 Q C -0.543 175.430 176.000 -0.045 0.000 0.956 552 Q CA 0.489 56.306 55.803 0.024 0.000 0.917 552 Q CB -0.732 27.986 28.738 -0.034 0.000 0.997 552 Q HN 0.708 nan 8.270 nan 0.000 0.497 553 Y N 1.932 122.280 120.300 0.080 0.000 2.504 553 Y HA 0.260 4.810 4.550 -0.001 0.000 0.339 553 Y C 0.329 176.300 175.900 0.119 0.000 0.974 553 Y CA -0.961 57.181 58.100 0.069 0.000 1.232 553 Y CB 1.327 39.764 38.460 -0.038 0.000 1.108 553 Y HN -0.040 nan 8.280 nan 0.000 0.509 554 S N 2.774 118.628 115.700 0.257 0.000 2.546 554 S HA -0.072 4.398 4.470 -0.001 0.000 0.290 554 S C 1.157 175.841 174.600 0.140 0.000 1.290 554 S CA -0.328 57.947 58.200 0.125 0.000 1.069 554 S CB 0.353 63.593 63.200 0.067 0.000 0.846 554 S HN 0.681 nan 8.310 nan 0.000 0.495 555 H N 3.967 123.013 119.070 -0.039 0.000 2.387 555 H HA -0.041 4.515 4.556 -0.001 0.000 0.299 555 H C 2.052 177.318 175.328 -0.103 0.000 1.090 555 H CA 1.568 57.543 56.048 -0.121 0.000 1.332 555 H CB -0.709 29.035 29.762 -0.030 0.000 1.386 555 H HN 0.468 nan 8.280 nan 0.000 0.516 556 V N 0.284 120.235 119.914 0.061 0.000 2.295 556 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 556 V C 2.363 178.405 176.094 -0.086 0.000 1.049 556 V CA 2.331 64.627 62.300 -0.006 0.000 1.024 556 V CB -0.753 31.061 31.823 -0.015 0.000 0.648 556 V HN 0.474 nan 8.190 nan 0.000 0.447 557 T N -1.535 112.929 114.554 -0.150 0.000 2.737 557 T HA -0.201 4.149 4.350 -0.001 0.000 0.265 557 T C 1.501 175.894 174.700 -0.512 0.000 1.038 557 T CA 1.965 63.844 62.100 -0.368 0.000 1.144 557 T CB -0.318 68.256 68.868 -0.492 0.000 0.866 557 T HN 0.608 nan 8.240 nan 0.000 0.434 558 W N 1.394 122.543 121.300 -0.252 0.000 2.576 558 W HA 0.282 4.942 4.660 -0.000 0.000 0.275 558 W C 0.940 177.288 176.519 -0.285 0.000 1.241 558 W CA -0.489 56.625 57.345 -0.385 0.000 1.328 558 W CB 0.097 28.930 29.460 -1.045 0.000 1.092 558 W HN -0.064 nan 8.180 nan 0.000 0.586 559 K N 1.459 121.801 120.400 -0.097 0.000 2.414 559 K HA 0.212 4.532 4.320 -0.001 0.000 0.272 559 K C -0.120 176.553 176.600 0.121 0.000 0.993 559 K CA 0.131 56.467 56.287 0.081 0.000 0.964 559 K CB 0.559 33.079 32.500 0.032 0.000 0.925 559 K HN -0.076 nan 8.250 nan 0.000 0.487 560 L N 0.000 121.325 121.223 0.171 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.894 54.840 0.090 0.000 0.813 560 L CB 0.000 42.079 42.059 0.034 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502