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 1ozh_1_B DATA FIRST_RESID 7 DATA SEQUENCE VRQWAHGADL VVSQLEAQGV RQVFGIPGAK IDKVFDSLLD SSIRIIPVRH DATA SEQUENCE EANAAFMAAA VGRITGKAGV ALVTSGPGCS NLITGMATAN SEGDPVVALG DATA SEQUENCE GAVKRADXXX XXXXSMDTVA MFSPVTKYAI EVTAPDALAE VVSNAFRAAE DATA SEQUENCE QGRPGSAFVS LPQDVVDGPV SGKVLPASGA PQMXAAPDDA IDQVAKLIAQ DATA SEQUENCE AKNPIFLLGL MASQPENSKA LRRLLETSHI PVTSTYQAAG AVNQDNFSRF DATA SEQUENCE AGRVGLFNNQ AGDRLLQLAD LVICIGYSPV EYEPAMWNSG NATLVHIDVL DATA SEQUENCE PAYEERNYTP DVELVGDIAG TLNKLAQNID HRLVLSPQAA EILRDRQHQR DATA SEQUENCE ELLDRRGAQL NQFALHPLRI VRAMQDIVNS DVTLTVDMGS FHIWIARYLY DATA SEQUENCE TFRARQVMIS NGQQTMGVAL PWAIGAWLVN PERKVVSVSG DGGFLQSSME DATA SEQUENCE LETAVRLKAN VLHLIWVDNG YNMVAIQEEK KYQRLSGVEF GPMDFKAYAE DATA SEQUENCE SFGAKGFAVE SAEALEPTLR AAMDVDGPAV VAIPVDYRDN PLLMGQLHLS DATA SEQUENCE QIL 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.111 176.094 0.028 0.000 1.182 7 V CA 0.000 62.331 62.300 0.051 0.000 1.235 7 V CB 0.000 31.837 31.823 0.022 0.000 1.184 8 R N 1.962 122.479 120.500 0.028 0.000 3.197 8 R HA 0.564 4.961 4.340 0.094 0.000 0.261 8 R C -1.986 174.217 176.300 -0.161 0.000 1.015 8 R CA -0.652 55.367 56.100 -0.134 0.000 0.949 8 R CB 1.542 31.684 30.300 -0.263 0.000 1.256 8 R HN 1.185 nan 8.270 nan 0.000 0.514 9 Q N 2.707 122.327 119.800 -0.299 0.000 2.314 9 Q HA 0.396 4.792 4.340 0.094 0.000 0.259 9 Q C -1.828 173.964 176.000 -0.347 0.000 0.951 9 Q CA -0.116 55.577 55.803 -0.183 0.000 0.909 9 Q CB 0.787 29.454 28.738 -0.119 0.000 1.236 9 Q HN 0.374 nan 8.270 nan 0.000 0.444 10 W N 2.987 124.266 121.300 -0.036 0.000 2.520 10 W HA 0.627 5.345 4.660 0.096 0.000 0.323 10 W C 0.803 177.267 176.519 -0.091 0.000 1.062 10 W CA -0.561 56.756 57.345 -0.046 0.000 1.215 10 W CB 1.480 30.928 29.460 -0.020 0.000 1.340 10 W HN 0.833 nan 8.180 nan 0.000 0.516 11 A N 1.733 124.580 122.820 0.046 0.000 1.898 11 A HA -0.075 4.301 4.320 0.094 0.000 0.216 11 A C 0.408 177.771 177.584 -0.368 0.000 1.181 11 A CA 1.264 53.160 52.037 -0.235 0.000 0.620 11 A CB -0.534 18.234 19.000 -0.386 0.000 0.819 11 A HN 0.618 nan 8.150 nan 0.000 0.442 12 H N -2.558 116.610 119.070 0.164 0.000 2.600 12 H HA 0.385 4.998 4.556 0.095 0.000 0.357 12 H C 1.236 176.609 175.328 0.075 0.000 1.106 12 H CA -0.251 55.859 56.048 0.102 0.000 1.193 12 H CB 1.390 31.198 29.762 0.076 0.000 1.594 12 H HN 0.160 nan 8.280 nan 0.000 0.526 13 G N 1.505 110.388 108.800 0.138 0.000 2.479 13 G HA2 -0.228 3.788 3.960 0.094 0.000 0.220 13 G HA3 -0.228 3.788 3.960 0.094 0.000 0.220 13 G C 1.542 176.414 174.900 -0.046 0.000 1.115 13 G CA 0.859 45.962 45.100 0.006 0.000 0.757 13 G HN 0.656 nan 8.290 nan 0.000 0.560 14 A N 1.269 124.109 122.820 0.033 0.000 1.933 14 A HA -0.080 4.297 4.320 0.094 0.000 0.218 14 A C 2.080 179.641 177.584 -0.039 0.000 1.175 14 A CA 1.989 54.022 52.037 -0.007 0.000 0.628 14 A CB -0.321 18.685 19.000 0.011 0.000 0.814 14 A HN 0.308 nan 8.150 nan 0.000 0.444 15 D N -0.407 120.012 120.400 0.033 0.000 2.144 15 D HA -0.119 4.577 4.640 0.094 0.000 0.200 15 D C 1.837 177.931 176.300 -0.343 0.000 0.978 15 D CA 1.255 55.271 54.000 0.026 0.000 0.833 15 D CB -0.349 40.645 40.800 0.324 0.000 0.961 15 D HN 0.384 nan 8.370 nan 0.000 0.470 16 L N 0.987 121.815 121.223 -0.658 0.000 2.056 16 L HA -0.111 4.285 4.340 0.094 0.000 0.207 16 L C 2.211 178.743 176.870 -0.564 0.000 1.078 16 L CA 1.235 55.388 54.840 -1.145 0.000 0.749 16 L CB -0.550 40.842 42.059 -1.112 0.000 0.901 16 L HN -0.169 nan 8.230 nan 0.000 0.433 17 V N -0.985 118.731 119.914 -0.331 0.000 2.287 17 V HA -0.294 3.882 4.120 0.094 0.000 0.248 17 V C 2.556 178.540 176.094 -0.183 0.000 1.053 17 V CA 1.778 63.955 62.300 -0.205 0.000 1.027 17 V CB -0.668 31.077 31.823 -0.130 0.000 0.646 17 V HN 0.347 nan 8.190 nan 0.000 0.447 18 V N -0.114 119.701 119.914 -0.166 0.000 2.343 18 V HA -0.251 3.926 4.120 0.094 0.000 0.247 18 V C 2.560 178.573 176.094 -0.134 0.000 1.051 18 V CA 2.315 64.542 62.300 -0.122 0.000 1.036 18 V CB -0.705 31.073 31.823 -0.075 0.000 0.654 18 V HN 0.559 nan 8.190 nan 0.000 0.451 19 S N -0.611 114.976 115.700 -0.189 0.000 2.368 19 S HA -0.290 4.237 4.470 0.094 0.000 0.225 19 S C 2.013 176.516 174.600 -0.162 0.000 1.030 19 S CA 1.781 59.892 58.200 -0.148 0.000 0.999 19 S CB -0.348 62.722 63.200 -0.217 0.000 0.844 19 S HN 0.604 nan 8.310 nan 0.000 0.459 20 Q N 1.279 120.948 119.800 -0.218 0.000 2.124 20 Q HA 0.028 4.424 4.340 0.094 0.000 0.202 20 Q C 1.898 177.739 176.000 -0.264 0.000 0.977 20 Q CA 1.331 57.005 55.803 -0.215 0.000 0.850 20 Q CB -0.503 28.114 28.738 -0.202 0.000 0.901 20 Q HN 0.521 nan 8.270 nan 0.000 0.429 21 L N -0.053 121.037 121.223 -0.222 0.000 2.017 21 L HA -0.185 4.211 4.340 0.094 0.000 0.208 21 L C 2.280 179.018 176.870 -0.221 0.000 1.073 21 L CA 1.681 56.379 54.840 -0.237 0.000 0.745 21 L CB -0.493 41.502 42.059 -0.107 0.000 0.894 21 L HN 0.325 nan 8.230 nan 0.000 0.432 22 E N 0.196 120.307 120.200 -0.149 0.000 2.110 22 E HA -0.204 4.202 4.350 0.094 0.000 0.193 22 E C 2.236 178.759 176.600 -0.128 0.000 0.988 22 E CA 1.073 57.407 56.400 -0.111 0.000 0.804 22 E CB -0.165 29.495 29.700 -0.067 0.000 0.745 22 E HN 0.492 nan 8.360 nan 0.000 0.458 23 A N 1.114 123.844 122.820 -0.151 0.000 2.070 23 A HA -0.176 4.201 4.320 0.094 0.000 0.220 23 A C 1.959 179.424 177.584 -0.198 0.000 1.159 23 A CA 1.040 52.989 52.037 -0.146 0.000 0.656 23 A CB -0.083 18.834 19.000 -0.139 0.000 0.800 23 A HN 0.098 nan 8.150 nan 0.000 0.453 24 Q N -1.547 118.067 119.800 -0.310 0.000 2.424 24 Q HA 0.151 4.547 4.340 0.094 0.000 0.204 24 Q C 1.101 176.974 176.000 -0.213 0.000 0.933 24 Q CA 0.785 56.352 55.803 -0.393 0.000 0.929 24 Q CB 0.112 28.287 28.738 -0.940 0.000 1.037 24 Q HN 0.996 nan 8.270 nan 0.000 0.511 25 G N 0.918 109.628 108.800 -0.151 0.000 2.171 25 G HA2 -0.224 3.792 3.960 0.094 0.000 0.238 25 G HA3 -0.224 3.792 3.960 0.094 0.000 0.238 25 G C 0.017 174.889 174.900 -0.048 0.000 1.039 25 G CA 0.128 45.181 45.100 -0.079 0.000 0.759 25 G HN 0.178 nan 8.290 nan 0.000 0.501 26 V N 1.137 121.014 119.914 -0.061 0.000 2.521 26 V HA 0.249 4.425 4.120 0.094 0.000 0.286 26 V C 1.776 177.853 176.094 -0.028 0.000 1.034 26 V CA -0.116 62.179 62.300 -0.008 0.000 1.045 26 V CB 1.236 33.061 31.823 0.004 0.000 0.974 26 V HN 0.387 nan 8.190 nan 0.000 0.480 27 R N 2.625 123.113 120.500 -0.020 0.000 2.090 27 R HA 0.119 4.516 4.340 0.094 0.000 0.219 27 R C 0.672 176.922 176.300 -0.082 0.000 1.100 27 R CA 0.690 56.764 56.100 -0.043 0.000 0.991 27 R CB 0.120 30.402 30.300 -0.031 0.000 0.893 27 R HN 0.896 nan 8.270 nan 0.000 0.443 28 Q N -0.496 119.230 119.800 -0.124 0.000 2.626 28 Q HA 0.442 4.839 4.340 0.094 0.000 0.300 28 Q C -1.178 174.640 176.000 -0.303 0.000 0.988 28 Q CA -0.905 54.754 55.803 -0.241 0.000 0.761 28 Q CB 1.871 30.392 28.738 -0.362 0.000 1.494 28 Q HN -0.150 nan 8.270 nan 0.000 0.439 29 V N 1.182 120.865 119.914 -0.385 0.000 2.709 29 V HA 0.570 4.746 4.120 0.094 0.000 0.308 29 V C -1.255 174.618 176.094 -0.368 0.000 1.062 29 V CA -0.569 61.553 62.300 -0.297 0.000 0.901 29 V CB 1.650 33.341 31.823 -0.221 0.000 1.003 29 V HN 0.669 nan 8.190 nan 0.000 0.425 30 F N 2.482 122.454 119.950 0.036 0.000 2.443 30 F HA 0.936 5.521 4.527 0.098 0.000 0.335 30 F C 0.831 176.687 175.800 0.093 0.000 1.104 30 F CA 0.026 58.074 58.000 0.080 0.000 1.013 30 F CB 2.130 41.188 39.000 0.096 0.000 1.136 30 F HN 0.751 nan 8.300 nan 0.000 0.470 31 G N 1.947 110.945 108.800 0.330 0.000 2.323 31 G HA2 0.490 4.506 3.960 0.094 0.000 0.291 31 G HA3 0.490 4.506 3.960 0.094 0.000 0.291 31 G C -2.119 172.981 174.900 0.334 0.000 1.278 31 G CA -0.875 44.416 45.100 0.320 0.000 0.860 31 G HN 0.524 nan 8.290 nan 0.000 0.504 32 I N 2.148 122.905 120.570 0.311 0.000 2.548 32 I HA 0.356 4.582 4.170 0.094 0.000 0.287 32 I C -2.285 173.775 176.117 -0.095 0.000 1.103 32 I CA -1.934 59.421 61.300 0.093 0.000 1.049 32 I CB 3.037 41.052 38.000 0.025 0.000 1.232 32 I HN 0.301 nan 8.210 nan 0.000 0.429 33 P HA 0.311 nan 4.420 nan 0.000 0.272 33 P C -0.373 176.700 177.300 -0.378 0.000 1.230 33 P CA 0.098 62.599 63.100 -0.999 0.000 0.788 33 P CB 1.504 32.424 31.700 -1.299 0.000 0.949 34 G N -0.961 107.684 108.800 -0.258 0.000 2.677 34 G HA2 0.449 4.465 3.960 0.094 0.000 0.291 34 G HA3 0.449 4.465 3.960 0.094 0.000 0.291 34 G C 0.552 175.405 174.900 -0.077 0.000 1.435 34 G CA -0.081 44.948 45.100 -0.118 0.000 0.826 34 G HN 0.383 nan 8.290 nan 0.000 0.491 35 A N 0.264 123.055 122.820 -0.049 0.000 1.892 35 A HA -0.067 4.310 4.320 0.094 0.000 0.218 35 A C 2.251 179.832 177.584 -0.006 0.000 1.188 35 A CA 2.388 54.408 52.037 -0.028 0.000 0.631 35 A CB -0.398 18.590 19.000 -0.020 0.000 0.822 35 A HN 0.496 nan 8.150 nan 0.000 0.447 36 K N -1.177 119.227 120.400 0.008 0.000 2.147 36 K HA 0.012 4.388 4.320 0.094 0.000 0.205 36 K C 1.352 177.977 176.600 0.041 0.000 1.049 36 K CA 1.172 57.473 56.287 0.024 0.000 0.936 36 K CB -0.230 32.288 32.500 0.031 0.000 0.722 36 K HN 0.501 nan 8.250 nan 0.000 0.446 37 I N 0.706 121.315 120.570 0.065 0.000 4.082 37 I HA -0.021 4.205 4.170 0.094 0.000 0.337 37 I C 0.143 176.378 176.117 0.197 0.000 1.352 37 I CA -0.070 61.308 61.300 0.130 0.000 1.097 37 I CB 0.173 38.293 38.000 0.200 0.000 1.048 37 I HN 0.120 nan 8.210 nan 0.000 0.393 38 D N 0.168 120.622 120.400 0.090 0.000 2.309 38 D HA -0.263 4.433 4.640 0.094 0.000 0.212 38 D C 1.898 178.262 176.300 0.108 0.000 0.968 38 D CA 0.914 54.961 54.000 0.078 0.000 0.882 38 D CB -0.209 40.570 40.800 -0.035 0.000 0.918 38 D HN 0.129 nan 8.370 nan 0.000 0.503 39 K N 0.579 121.013 120.400 0.056 0.000 2.155 39 K HA 0.010 4.387 4.320 0.094 0.000 0.203 39 K C 1.830 178.446 176.600 0.027 0.000 1.052 39 K CA 0.695 56.977 56.287 -0.008 0.000 0.948 39 K CB -0.332 32.126 32.500 -0.071 0.000 0.728 39 K HN 0.113 nan 8.250 nan 0.000 0.448 40 V N 0.539 120.494 119.914 0.068 0.000 2.358 40 V HA -0.180 3.997 4.120 0.094 0.000 0.246 40 V C 1.922 178.021 176.094 0.008 0.000 1.047 40 V CA 1.648 63.956 62.300 0.014 0.000 1.035 40 V CB -0.598 31.211 31.823 -0.023 0.000 0.658 40 V HN 0.158 nan 8.190 nan 0.000 0.452 41 F N 0.898 120.836 119.950 -0.020 0.000 2.102 41 F HA -0.179 4.401 4.527 0.088 0.000 0.298 41 F C 2.277 178.068 175.800 -0.016 0.000 1.105 41 F CA 2.135 60.127 58.000 -0.013 0.000 1.239 41 F CB -0.556 38.439 39.000 -0.008 0.000 0.991 41 F HN 0.249 nan 8.300 nan 0.000 0.474 42 D N -0.550 119.953 120.400 0.172 0.000 2.104 42 D HA -0.176 4.521 4.640 0.094 0.000 0.194 42 D C 2.161 178.488 176.300 0.046 0.000 0.994 42 D CA 1.824 55.872 54.000 0.080 0.000 0.830 42 D CB -0.103 40.714 40.800 0.028 0.000 0.959 42 D HN 0.064 nan 8.370 nan 0.000 0.452 43 S N -0.518 115.198 115.700 0.027 0.000 2.419 43 S HA -0.090 4.436 4.470 0.094 0.000 0.235 43 S C 1.912 176.520 174.600 0.014 0.000 1.019 43 S CA 0.441 58.657 58.200 0.026 0.000 0.982 43 S CB -0.268 62.944 63.200 0.020 0.000 0.789 43 S HN 0.331 nan 8.310 nan 0.000 0.490 44 L N 0.912 122.131 121.223 -0.007 0.000 2.456 44 L HA 0.009 4.405 4.340 0.094 0.000 0.224 44 L C 1.844 178.713 176.870 -0.002 0.000 1.148 44 L CA 0.525 55.346 54.840 -0.031 0.000 0.825 44 L CB -0.392 41.613 42.059 -0.089 0.000 0.937 44 L HN 0.324 nan 8.230 nan 0.000 0.450 45 L N -0.703 120.534 121.223 0.024 0.000 2.156 45 L HA -0.148 4.249 4.340 0.094 0.000 0.208 45 L C 1.142 178.027 176.870 0.025 0.000 1.095 45 L CA 0.873 55.731 54.840 0.030 0.000 0.770 45 L CB -0.273 41.810 42.059 0.040 0.000 0.914 45 L HN 0.273 nan 8.230 nan 0.000 0.439 46 D N -0.671 119.746 120.400 0.029 0.000 2.336 46 D HA 0.065 4.761 4.640 0.094 0.000 0.228 46 D C 0.579 176.896 176.300 0.027 0.000 1.120 46 D CA 0.251 54.271 54.000 0.033 0.000 0.839 46 D CB 0.586 41.416 40.800 0.050 0.000 0.932 46 D HN 0.047 nan 8.370 nan 0.000 0.509 47 S N -0.970 114.737 115.700 0.013 0.000 2.677 47 S HA 0.301 4.827 4.470 0.094 0.000 0.304 47 S C 1.030 175.626 174.600 -0.007 0.000 1.108 47 S CA -0.506 57.695 58.200 0.002 0.000 0.944 47 S CB 2.114 65.306 63.200 -0.014 0.000 1.127 47 S HN -0.101 nan 8.310 nan 0.000 0.511 48 S N 1.146 116.838 115.700 -0.014 0.000 2.470 48 S HA 0.238 4.764 4.470 0.094 0.000 0.225 48 S C 0.664 175.246 174.600 -0.030 0.000 1.006 48 S CA 0.027 58.217 58.200 -0.018 0.000 0.934 48 S CB -0.638 62.551 63.200 -0.018 0.000 0.778 48 S HN 0.614 nan 8.310 nan 0.000 0.517 49 I N 2.980 123.525 120.570 -0.041 0.000 2.752 49 I HA 0.018 4.245 4.170 0.094 0.000 0.289 49 I C 0.790 176.869 176.117 -0.064 0.000 1.197 49 I CA 0.152 61.416 61.300 -0.061 0.000 1.432 49 I CB 0.224 38.179 38.000 -0.074 0.000 1.359 49 I HN 0.187 nan 8.210 nan 0.000 0.571 50 R N 7.222 127.676 120.500 -0.078 0.000 2.308 50 R HA 0.443 4.839 4.340 0.094 0.000 0.305 50 R C -0.682 175.554 176.300 -0.106 0.000 1.053 50 R CA -0.583 55.474 56.100 -0.071 0.000 0.957 50 R CB 0.653 30.915 30.300 -0.063 0.000 1.022 50 R HN 0.576 nan 8.270 nan 0.000 0.461 51 I N 6.526 127.061 120.570 -0.058 0.000 2.352 51 I HA 0.190 4.416 4.170 0.094 0.000 0.290 51 I C 0.030 176.142 176.117 -0.009 0.000 1.036 51 I CA -0.251 61.022 61.300 -0.044 0.000 1.336 51 I CB 1.088 39.116 38.000 0.046 0.000 1.407 51 I HN 0.494 nan 8.210 nan 0.000 0.497 52 I N 8.809 129.354 120.570 -0.043 0.000 2.405 52 I HA 0.298 4.525 4.170 0.094 0.000 0.280 52 I C -2.396 173.815 176.117 0.157 0.000 1.027 52 I CA -1.960 59.363 61.300 0.037 0.000 1.161 52 I CB 1.280 39.255 38.000 -0.042 0.000 1.300 52 I HN 0.226 nan 8.210 nan 0.000 0.463 53 P HA 0.107 nan 4.420 nan 0.000 0.276 53 P C -0.235 177.178 177.300 0.188 0.000 1.235 53 P CA -0.125 63.088 63.100 0.189 0.000 0.772 53 P CB 0.950 32.731 31.700 0.136 0.000 0.871 54 V N 2.214 122.246 119.914 0.195 0.000 3.267 54 V HA 0.542 4.719 4.120 0.094 0.000 0.317 54 V C 1.075 177.246 176.094 0.128 0.000 1.131 54 V CA -0.567 61.839 62.300 0.176 0.000 1.031 54 V CB 2.006 33.946 31.823 0.194 0.000 1.159 54 V HN 0.209 nan 8.190 nan 0.000 0.454 55 R N -0.775 119.799 120.500 0.124 0.000 2.237 55 R HA 0.301 4.698 4.340 0.094 0.000 0.195 55 R C 0.020 176.397 176.300 0.128 0.000 0.956 55 R CA 0.665 56.831 56.100 0.111 0.000 1.029 55 R CB -0.533 29.838 30.300 0.119 0.000 0.972 55 R HN 1.003 nan 8.270 nan 0.000 0.493 56 H N -0.399 118.693 119.070 0.038 0.000 2.966 56 H HA 0.171 4.686 4.556 -0.069 0.000 0.347 56 H C 0.100 175.430 175.328 0.003 0.000 1.048 56 H CA -0.256 55.801 56.048 0.015 0.000 1.295 56 H CB 1.509 31.272 29.762 0.001 0.000 1.744 56 H HN -0.227 nan 8.280 nan 0.000 0.513 57 E N 3.138 123.308 120.200 -0.050 0.000 2.147 57 E HA -0.257 4.149 4.350 0.094 0.000 0.199 57 E C 1.993 178.627 176.600 0.056 0.000 1.005 57 E CA 1.820 58.236 56.400 0.028 0.000 0.810 57 E CB -0.088 29.592 29.700 -0.032 0.000 0.736 57 E HN 0.677 nan 8.360 nan 0.000 0.460 58 A N 1.316 124.260 122.820 0.207 0.000 1.948 58 A HA -0.259 4.117 4.320 0.094 0.000 0.220 58 A C 1.743 179.033 177.584 -0.489 0.000 1.177 58 A CA 1.817 53.739 52.037 -0.192 0.000 0.636 58 A CB -0.496 18.391 19.000 -0.188 0.000 0.815 58 A HN 0.201 nan 8.150 nan 0.000 0.449 59 N N 0.128 118.756 118.700 -0.121 0.000 2.457 59 N HA 0.020 4.817 4.740 0.094 0.000 0.180 59 N C 1.719 177.200 175.510 -0.050 0.000 1.050 59 N CA 1.105 54.148 53.050 -0.011 0.000 0.906 59 N CB -0.386 38.160 38.487 0.100 0.000 0.968 59 N HN 0.509 nan 8.380 nan 0.000 0.445 60 A N 1.161 123.961 122.820 -0.033 0.000 1.930 60 A HA 0.094 4.471 4.320 0.094 0.000 0.217 60 A C 2.373 179.913 177.584 -0.073 0.000 1.175 60 A CA 1.588 53.632 52.037 0.011 0.000 0.627 60 A CB -0.561 18.524 19.000 0.140 0.000 0.815 60 A HN 0.284 nan 8.150 nan 0.000 0.443 61 A N -1.007 121.740 122.820 -0.121 0.000 1.930 61 A HA 0.041 4.417 4.320 0.094 0.000 0.217 61 A C 2.033 179.609 177.584 -0.013 0.000 1.175 61 A CA 1.216 53.192 52.037 -0.100 0.000 0.627 61 A CB -0.740 18.147 19.000 -0.188 0.000 0.815 61 A HN 0.531 nan 8.150 nan 0.000 0.443 62 F N -0.648 119.303 119.950 0.002 0.000 2.146 62 F HA -0.177 4.415 4.527 0.107 0.000 0.298 62 F C 2.645 178.499 175.800 0.090 0.000 1.096 62 F CA 1.170 59.200 58.000 0.051 0.000 1.275 62 F CB -0.340 38.585 39.000 -0.125 0.000 1.008 62 F HN 0.126 nan 8.300 nan 0.000 0.480 63 M N 0.070 119.679 119.600 0.015 0.000 2.117 63 M HA -0.188 4.349 4.480 0.094 0.000 0.262 63 M C 2.549 178.637 176.300 -0.354 0.000 1.065 63 M CA 1.665 56.773 55.300 -0.320 0.000 1.114 63 M CB -0.550 31.442 32.600 -1.013 0.000 1.361 63 M HN 0.205 nan 8.290 nan 0.000 0.408 64 A N 0.397 123.034 122.820 -0.305 0.000 1.908 64 A HA -0.098 4.279 4.320 0.094 0.000 0.218 64 A C 2.352 179.991 177.584 0.092 0.000 1.181 64 A CA 1.959 54.007 52.037 0.017 0.000 0.627 64 A CB -0.955 18.111 19.000 0.111 0.000 0.818 64 A HN 0.510 nan 8.150 nan 0.000 0.445 65 A N -0.224 122.674 122.820 0.130 0.000 1.933 65 A HA 0.161 4.538 4.320 0.094 0.000 0.218 65 A C 2.474 180.092 177.584 0.057 0.000 1.175 65 A CA 2.029 54.151 52.037 0.142 0.000 0.628 65 A CB -0.917 18.255 19.000 0.286 0.000 0.814 65 A HN 1.054 nan 8.150 nan 0.000 0.444 66 A N -0.638 122.225 122.820 0.071 0.000 1.930 66 A HA 0.040 4.417 4.320 0.094 0.000 0.217 66 A C 2.201 179.800 177.584 0.025 0.000 1.175 66 A CA 1.667 53.694 52.037 -0.017 0.000 0.627 66 A CB -0.793 18.248 19.000 0.068 0.000 0.815 66 A HN 0.365 nan 8.150 nan 0.000 0.443 67 V N -0.162 119.805 119.914 0.088 0.000 2.358 67 V HA -0.156 4.020 4.120 0.094 0.000 0.246 67 V C 2.788 178.930 176.094 0.081 0.000 1.047 67 V CA 1.924 64.296 62.300 0.120 0.000 1.035 67 V CB -1.321 30.638 31.823 0.226 0.000 0.658 67 V HN 0.601 nan 8.190 nan 0.000 0.452 68 G N -0.474 108.369 108.800 0.072 0.000 2.402 68 G HA2 -0.268 3.748 3.960 0.094 0.000 0.216 68 G HA3 -0.268 3.748 3.960 0.094 0.000 0.216 68 G C 1.710 176.621 174.900 0.019 0.000 1.162 68 G CA 0.860 45.991 45.100 0.051 0.000 0.777 68 G HN 0.427 nan 8.290 nan 0.000 0.539 69 R N 0.058 120.552 120.500 -0.011 0.000 2.073 69 R HA 0.015 4.411 4.340 0.094 0.000 0.234 69 R C 2.544 178.824 176.300 -0.033 0.000 1.134 69 R CA 1.358 57.432 56.100 -0.043 0.000 0.952 69 R CB -0.336 29.899 30.300 -0.109 0.000 0.850 69 R HN 0.416 nan 8.270 nan 0.000 0.433 70 I N 0.279 120.834 120.570 -0.025 0.000 2.163 70 I HA -0.239 3.987 4.170 0.094 0.000 0.240 70 I C 2.465 178.580 176.117 -0.003 0.000 1.081 70 I CA 1.877 63.167 61.300 -0.016 0.000 1.353 70 I CB -0.455 37.542 38.000 -0.005 0.000 1.054 70 I HN 0.413 nan 8.210 nan 0.000 0.407 71 T N -2.197 112.365 114.554 0.013 0.000 3.043 71 T HA 0.181 4.587 4.350 0.094 0.000 0.263 71 T C 1.702 176.414 174.700 0.019 0.000 1.094 71 T CA 0.726 62.837 62.100 0.018 0.000 1.127 71 T CB 0.311 69.199 68.868 0.033 0.000 0.905 71 T HN 0.565 nan 8.240 nan 0.000 0.490 72 G N 1.408 110.221 108.800 0.021 0.000 2.234 72 G HA2 -0.247 3.769 3.960 0.094 0.000 0.260 72 G HA3 -0.247 3.769 3.960 0.094 0.000 0.260 72 G C -0.008 174.918 174.900 0.043 0.000 0.987 72 G CA 0.258 45.372 45.100 0.023 0.000 0.625 72 G HN 0.687 nan 8.290 nan 0.000 0.532 73 K N 0.988 121.422 120.400 0.058 0.000 2.213 73 K HA 0.698 5.075 4.320 0.094 0.000 0.270 73 K C 0.588 177.258 176.600 0.118 0.000 1.002 73 K CA -0.095 56.250 56.287 0.096 0.000 0.868 73 K CB 1.864 34.416 32.500 0.087 0.000 1.093 73 K HN 0.562 nan 8.250 nan 0.000 0.454 74 A N 2.408 125.314 122.820 0.142 0.000 2.567 74 A HA 0.197 4.573 4.320 0.094 0.000 0.240 74 A C 0.634 178.291 177.584 0.120 0.000 1.053 74 A CA 0.342 52.422 52.037 0.073 0.000 0.755 74 A CB -0.119 18.817 19.000 -0.107 0.000 0.978 74 A HN 0.827 nan 8.150 nan 0.000 0.507 75 G N 0.327 109.192 108.800 0.108 0.000 2.539 75 G HA2 0.498 4.515 3.960 0.094 0.000 0.258 75 G HA3 0.498 4.515 3.960 0.094 0.000 0.258 75 G C -0.516 174.478 174.900 0.156 0.000 1.202 75 G CA -0.305 44.910 45.100 0.192 0.000 0.851 75 G HN 0.968 nan 8.290 nan 0.000 0.556 76 V N 0.311 120.364 119.914 0.231 0.000 2.588 76 V HA 0.725 4.901 4.120 0.094 0.000 0.304 76 V C 0.277 176.506 176.094 0.226 0.000 1.042 76 V CA -0.742 61.650 62.300 0.153 0.000 0.877 76 V CB 1.380 33.277 31.823 0.122 0.000 0.996 76 V HN 1.134 nan 8.190 nan 0.000 0.425 77 A N 4.389 127.300 122.820 0.152 0.000 2.350 77 A HA 0.947 5.324 4.320 0.094 0.000 0.324 77 A C -1.342 176.299 177.584 0.095 0.000 1.118 77 A CA -0.569 51.572 52.037 0.173 0.000 0.783 77 A CB 1.493 20.584 19.000 0.151 0.000 1.236 77 A HN 0.836 nan 8.150 nan 0.000 0.457 78 L N 3.188 124.466 121.223 0.091 0.000 2.406 78 L HA 0.734 5.130 4.340 0.094 0.000 0.272 78 L C -0.544 176.460 176.870 0.223 0.000 0.980 78 L CA -0.390 54.477 54.840 0.045 0.000 0.831 78 L CB 1.777 43.688 42.059 -0.248 0.000 1.253 78 L HN 1.004 nan 8.230 nan 0.000 0.406 79 V N 0.947 120.993 119.914 0.220 0.000 3.160 79 V HA 0.750 4.926 4.120 0.094 0.000 0.310 79 V C -0.148 176.066 176.094 0.200 0.000 1.181 79 V CA -0.427 62.011 62.300 0.230 0.000 1.047 79 V CB 1.642 33.563 31.823 0.165 0.000 1.068 79 V HN 0.763 nan 8.190 nan 0.000 0.441 80 T N 0.984 115.620 114.554 0.135 0.000 2.810 80 T HA 0.515 4.921 4.350 0.094 0.000 0.277 80 T C 0.634 175.389 174.700 0.091 0.000 0.973 80 T CA 0.398 62.555 62.100 0.095 0.000 0.949 80 T CB 1.015 69.902 68.868 0.033 0.000 1.075 80 T HN 1.661 nan 8.240 nan 0.000 0.537 81 S N 0.330 116.074 115.700 0.073 0.000 2.606 81 S HA 0.508 5.034 4.470 0.094 0.000 0.257 81 S C 1.359 175.998 174.600 0.064 0.000 1.327 81 S CA -0.091 58.156 58.200 0.079 0.000 0.984 81 S CB -0.381 62.855 63.200 0.060 0.000 0.941 81 S HN 1.605 nan 8.310 nan 0.000 0.576 82 G N 1.607 110.448 108.800 0.068 0.000 2.634 82 G HA2 -0.299 3.718 3.960 0.094 0.000 0.318 82 G HA3 -0.299 3.718 3.960 0.094 0.000 0.318 82 G C -0.989 173.933 174.900 0.037 0.000 1.207 82 G CA 0.383 45.511 45.100 0.046 0.000 0.987 82 G HN 0.756 nan 8.290 nan 0.000 0.547 83 P HA -0.046 nan 4.420 nan 0.000 0.222 83 P C 1.896 179.190 177.300 -0.010 0.000 1.147 83 P CA 2.477 65.573 63.100 -0.007 0.000 0.790 83 P CB -0.696 30.991 31.700 -0.022 0.000 0.780 84 G N -0.100 108.707 108.800 0.012 0.000 2.418 84 G HA2 -0.249 3.768 3.960 0.094 0.000 0.217 84 G HA3 -0.249 3.768 3.960 0.094 0.000 0.217 84 G C 1.685 176.626 174.900 0.069 0.000 1.158 84 G CA 0.878 45.994 45.100 0.025 0.000 0.771 84 G HN 0.267 nan 8.290 nan 0.000 0.545 85 C N 1.099 120.464 119.300 0.108 0.000 2.500 85 C HA 0.036 4.552 4.460 0.094 0.000 0.279 85 C C 3.473 178.557 174.990 0.156 0.000 1.288 85 C CA 1.242 60.369 59.018 0.182 0.000 1.710 85 C CB -0.661 27.202 27.740 0.206 0.000 2.052 85 C HN 0.580 nan 8.230 nan 0.000 0.488 86 S N 1.293 117.021 115.700 0.046 0.000 2.419 86 S HA -0.197 4.329 4.470 0.094 0.000 0.235 86 S C 1.258 175.816 174.600 -0.071 0.000 1.019 86 S CA 1.642 59.803 58.200 -0.065 0.000 0.982 86 S CB -1.102 62.063 63.200 -0.057 0.000 0.789 86 S HN 0.737 nan 8.310 nan 0.000 0.490 87 N N 0.718 119.404 118.700 -0.023 0.000 2.550 87 N HA 0.168 4.964 4.740 0.094 0.000 0.186 87 N C 1.193 176.707 175.510 0.006 0.000 1.110 87 N CA 0.520 53.569 53.050 -0.003 0.000 0.912 87 N CB -0.151 38.271 38.487 -0.108 0.000 0.968 87 N HN 0.435 nan 8.380 nan 0.000 0.448 88 L N 0.093 121.315 121.223 -0.003 0.000 2.463 88 L HA 0.119 4.515 4.340 0.094 0.000 0.219 88 L C 1.814 178.627 176.870 -0.095 0.000 1.088 88 L CA 0.017 54.856 54.840 -0.001 0.000 0.849 88 L CB 0.020 42.180 42.059 0.168 0.000 1.012 88 L HN 0.134 nan 8.230 nan 0.000 0.468 89 I N 0.151 120.567 120.570 -0.257 0.000 2.091 89 I HA -0.397 3.830 4.170 0.094 0.000 0.240 89 I C 2.460 178.446 176.117 -0.219 0.000 1.046 89 I CA 1.996 63.045 61.300 -0.419 0.000 1.306 89 I CB -0.707 36.980 38.000 -0.521 0.000 1.018 89 I HN 0.238 nan 8.210 nan 0.000 0.404 90 T N 0.401 114.861 114.554 -0.156 0.000 2.720 90 T HA -0.154 4.253 4.350 0.094 0.000 0.268 90 T C 1.864 176.537 174.700 -0.044 0.000 1.037 90 T CA 1.583 63.637 62.100 -0.076 0.000 1.144 90 T CB -0.795 68.051 68.868 -0.036 0.000 0.864 90 T HN 0.645 nan 8.240 nan 0.000 0.444 91 G N 1.312 109.981 108.800 -0.219 0.000 2.422 91 G HA2 -0.172 3.845 3.960 0.094 0.000 0.218 91 G HA3 -0.172 3.845 3.960 0.094 0.000 0.218 91 G C 1.538 176.422 174.900 -0.027 0.000 1.146 91 G CA 0.594 45.489 45.100 -0.343 0.000 0.769 91 G HN 0.291 nan 8.290 nan 0.000 0.547 92 M N 1.158 120.753 119.600 -0.008 0.000 2.132 92 M HA 0.077 4.613 4.480 0.094 0.000 0.263 92 M C 3.004 179.355 176.300 0.085 0.000 1.065 92 M CA 1.225 56.577 55.300 0.086 0.000 1.122 92 M CB -1.196 31.511 32.600 0.178 0.000 1.365 92 M HN 0.318 nan 8.290 nan 0.000 0.411 93 A N -0.187 122.655 122.820 0.037 0.000 1.902 93 A HA -0.132 4.244 4.320 0.094 0.000 0.217 93 A C 2.319 179.955 177.584 0.086 0.000 1.181 93 A CA 2.212 54.272 52.037 0.038 0.000 0.623 93 A CB -1.081 17.915 19.000 -0.007 0.000 0.818 93 A HN 0.480 nan 8.150 nan 0.000 0.443 94 T N 0.252 114.892 114.554 0.143 0.000 2.777 94 T HA 0.010 4.417 4.350 0.094 0.000 0.266 94 T C 2.233 177.066 174.700 0.221 0.000 1.040 94 T CA 1.499 63.726 62.100 0.211 0.000 1.141 94 T CB -0.426 68.656 68.868 0.357 0.000 0.868 94 T HN 0.590 nan 8.240 nan 0.000 0.444 95 A N 1.976 124.929 122.820 0.221 0.000 1.877 95 A HA -0.154 4.223 4.320 0.094 0.000 0.216 95 A C 2.211 179.865 177.584 0.117 0.000 1.186 95 A CA 1.964 54.110 52.037 0.183 0.000 0.620 95 A CB -0.894 18.203 19.000 0.162 0.000 0.822 95 A HN 0.459 nan 8.150 nan 0.000 0.443 96 N N 0.033 118.793 118.700 0.101 0.000 2.166 96 N HA -0.105 4.692 4.740 0.094 0.000 0.186 96 N C 1.832 177.373 175.510 0.052 0.000 1.019 96 N CA 1.759 54.853 53.050 0.073 0.000 0.856 96 N CB -0.207 38.323 38.487 0.072 0.000 0.993 96 N HN 0.364 nan 8.380 nan 0.000 0.426 97 S N -0.062 115.673 115.700 0.057 0.000 2.402 97 S HA -0.024 4.502 4.470 0.094 0.000 0.229 97 S C 1.148 175.770 174.600 0.037 0.000 1.021 97 S CA 0.832 59.053 58.200 0.036 0.000 0.974 97 S CB -0.113 63.112 63.200 0.042 0.000 0.800 97 S HN 0.372 nan 8.310 nan 0.000 0.484 98 E N 0.158 120.395 120.200 0.062 0.000 2.479 98 E HA 0.209 4.615 4.350 0.094 0.000 0.193 98 E C 1.226 177.839 176.600 0.022 0.000 1.049 98 E CA 0.351 56.778 56.400 0.046 0.000 0.870 98 E CB -0.146 29.590 29.700 0.060 0.000 0.944 98 E HN 0.492 nan 8.360 nan 0.000 0.492 99 G N 2.280 111.096 108.800 0.028 0.000 2.176 99 G HA2 -0.210 3.806 3.960 0.094 0.000 0.252 99 G HA3 -0.210 3.806 3.960 0.094 0.000 0.252 99 G C -0.511 174.401 174.900 0.019 0.000 1.024 99 G CA 0.133 45.245 45.100 0.021 0.000 0.755 99 G HN 0.129 nan 8.290 nan 0.000 0.507 100 D N 1.309 121.727 120.400 0.030 0.000 2.249 100 D HA 0.394 5.091 4.640 0.094 0.000 0.246 100 D C -1.994 174.328 176.300 0.036 0.000 1.114 100 D CA -1.217 52.798 54.000 0.026 0.000 0.854 100 D CB 1.750 42.573 40.800 0.037 0.000 1.132 100 D HN 0.181 nan 8.370 nan 0.000 0.461 101 P HA 0.113 nan 4.420 nan 0.000 0.276 101 P C -0.642 176.661 177.300 0.006 0.000 1.253 101 P CA -0.235 62.872 63.100 0.012 0.000 0.766 101 P CB 0.983 32.692 31.700 0.015 0.000 0.845 102 V N 4.679 124.582 119.914 -0.018 0.000 2.851 102 V HA 0.270 4.447 4.120 0.094 0.000 0.307 102 V C -0.142 175.887 176.094 -0.109 0.000 1.129 102 V CA -0.753 61.530 62.300 -0.027 0.000 0.932 102 V CB 2.750 34.600 31.823 0.046 0.000 1.024 102 V HN 0.221 nan 8.190 nan 0.000 0.426 103 V N 3.400 123.188 119.914 -0.209 0.000 2.409 103 V HA 0.843 5.019 4.120 0.094 0.000 0.291 103 V C 0.215 176.236 176.094 -0.122 0.000 1.020 103 V CA -0.382 61.737 62.300 -0.303 0.000 0.848 103 V CB 1.754 33.081 31.823 -0.825 0.000 0.990 103 V HN 1.033 nan 8.190 nan 0.000 0.430 104 A N 6.428 129.231 122.820 -0.029 0.000 2.303 104 A HA 0.884 5.260 4.320 0.094 0.000 0.320 104 A C -0.887 176.682 177.584 -0.025 0.000 1.192 104 A CA -0.512 51.557 52.037 0.054 0.000 0.821 104 A CB 0.786 19.895 19.000 0.181 0.000 1.188 104 A HN 0.803 nan 8.150 nan 0.000 0.492 105 L N 3.043 124.246 121.223 -0.034 0.000 2.294 105 L HA 0.628 5.024 4.340 0.094 0.000 0.283 105 L C 0.582 177.437 176.870 -0.024 0.000 1.015 105 L CA -0.455 54.313 54.840 -0.119 0.000 0.831 105 L CB 1.765 43.774 42.059 -0.084 0.000 1.217 105 L HN 0.795 nan 8.230 nan 0.000 0.420 106 G N 1.552 110.317 108.800 -0.058 0.000 2.461 106 G HA2 0.580 4.596 3.960 0.094 0.000 0.323 106 G HA3 0.580 4.596 3.960 0.094 0.000 0.323 106 G C -0.006 174.929 174.900 0.058 0.000 1.229 106 G CA -0.515 44.667 45.100 0.137 0.000 0.941 106 G HN 0.631 nan 8.290 nan 0.000 0.477 107 G N -0.469 108.386 108.800 0.092 0.000 2.636 107 G HA2 0.663 4.679 3.960 0.094 0.000 0.246 107 G HA3 0.663 4.679 3.960 0.094 0.000 0.246 107 G C 0.015 174.957 174.900 0.070 0.000 1.216 107 G CA 0.580 45.718 45.100 0.063 0.000 0.854 107 G HN 1.430 nan 8.290 nan 0.000 0.572 108 A N -0.639 122.208 122.820 0.046 0.000 2.609 108 A HA 0.718 5.094 4.320 0.094 0.000 0.291 108 A C 0.034 177.639 177.584 0.034 0.000 1.096 108 A CA -0.056 52.011 52.037 0.049 0.000 0.684 108 A CB 0.927 19.952 19.000 0.041 0.000 1.282 108 A HN 2.023 nan 8.150 nan 0.000 0.412 109 V N -1.864 118.070 119.914 0.033 0.000 3.376 109 V HA 0.668 4.845 4.120 0.094 0.000 0.303 109 V C 0.754 176.860 176.094 0.020 0.000 1.100 109 V CA -0.110 62.205 62.300 0.025 0.000 1.126 109 V CB -0.430 31.407 31.823 0.023 0.000 1.085 109 V HN 1.654 nan 8.190 nan 0.000 0.480 110 K N 1.170 121.581 120.400 0.018 0.000 2.414 110 K HA 0.209 4.585 4.320 0.094 0.000 0.272 110 K C 1.117 177.726 176.600 0.015 0.000 0.993 110 K CA 0.675 56.972 56.287 0.016 0.000 0.964 110 K CB -0.507 32.003 32.500 0.016 0.000 0.925 110 K HN 0.829 nan 8.250 nan 0.000 0.487 111 R N 0.651 121.159 120.500 0.013 0.000 2.170 111 R HA -0.149 4.247 4.340 0.094 0.000 0.242 111 R C 2.207 178.514 176.300 0.012 0.000 1.145 111 R CA 1.616 57.723 56.100 0.011 0.000 0.984 111 R CB -0.202 30.103 30.300 0.009 0.000 0.869 111 R HN 0.758 nan 8.270 nan 0.000 0.455 112 A N 0.424 123.251 122.820 0.012 0.000 2.238 112 A HA 0.108 4.484 4.320 0.094 0.000 0.210 112 A C 0.740 178.331 177.584 0.012 0.000 1.179 112 A CA 0.737 52.781 52.037 0.011 0.000 0.827 112 A CB -0.306 18.701 19.000 0.011 0.000 0.856 112 A HN 0.417 nan 8.150 nan 0.000 0.488 122 M N -0.193 119.430 119.600 0.038 0.000 2.318 122 M HA 0.652 5.188 4.480 0.094 0.000 0.347 122 M C -0.533 175.802 176.300 0.058 0.000 1.175 122 M CA -0.569 54.755 55.300 0.039 0.000 1.075 122 M CB 0.976 33.596 32.600 0.033 0.000 1.614 122 M HN 0.127 nan 8.290 nan 0.000 0.456 123 D N 3.040 123.471 120.400 0.051 0.000 2.498 123 D HA 0.034 4.730 4.640 0.094 0.000 0.229 123 D C 1.160 177.519 176.300 0.098 0.000 1.188 123 D CA 0.159 54.200 54.000 0.067 0.000 1.028 123 D CB 0.617 41.445 40.800 0.046 0.000 1.087 123 D HN 0.853 nan 8.370 nan 0.000 0.510 124 T N -0.890 113.754 114.554 0.150 0.000 2.788 124 T HA -0.157 4.249 4.350 0.094 0.000 0.268 124 T C 2.088 176.967 174.700 0.299 0.000 1.044 124 T CA 0.781 63.015 62.100 0.224 0.000 1.139 124 T CB -0.309 68.725 68.868 0.277 0.000 0.867 124 T HN 0.155 nan 8.240 nan 0.000 0.454 125 V N 2.292 122.373 119.914 0.278 0.000 2.287 125 V HA -0.133 4.043 4.120 0.094 0.000 0.248 125 V C 3.234 179.433 176.094 0.174 0.000 1.053 125 V CA 1.792 64.245 62.300 0.253 0.000 1.027 125 V CB -1.410 30.495 31.823 0.137 0.000 0.646 125 V HN 0.704 nan 8.190 nan 0.000 0.447 126 A N -0.977 121.910 122.820 0.111 0.000 2.015 126 A HA -0.185 4.191 4.320 0.094 0.000 0.219 126 A C 2.184 179.794 177.584 0.043 0.000 1.163 126 A CA 1.964 54.038 52.037 0.063 0.000 0.646 126 A CB -0.433 18.591 19.000 0.038 0.000 0.806 126 A HN 0.538 nan 8.150 nan 0.000 0.448 127 M N -2.245 117.382 119.600 0.045 0.000 2.236 127 M HA 0.041 4.578 4.480 0.094 0.000 0.266 127 M C 1.599 177.802 176.300 -0.161 0.000 1.070 127 M CA 1.277 56.533 55.300 -0.074 0.000 1.137 127 M CB -0.233 32.292 32.600 -0.126 0.000 1.378 127 M HN 0.419 nan 8.290 nan 0.000 0.426 128 F N -0.103 119.762 119.950 -0.142 0.000 2.512 128 F HA 0.017 4.609 4.527 0.108 0.000 0.296 128 F C 2.541 178.317 175.800 -0.040 0.000 1.110 128 F CA 0.627 58.542 58.000 -0.142 0.000 1.446 128 F CB -0.526 38.324 39.000 -0.250 0.000 1.092 128 F HN 0.031 nan 8.300 nan 0.000 0.554 129 S N 0.770 116.562 115.700 0.152 0.000 2.380 129 S HA -0.187 4.339 4.470 0.094 0.000 0.229 129 S C -0.387 174.247 174.600 0.058 0.000 1.043 129 S CA 1.750 60.008 58.200 0.096 0.000 1.038 129 S CB -1.349 61.888 63.200 0.062 0.000 0.872 129 S HN 0.248 nan 8.310 nan 0.000 0.456 130 P HA 0.013 nan 4.420 nan 0.000 0.226 130 P C 0.750 178.052 177.300 0.002 0.000 1.153 130 P CA 0.798 63.898 63.100 0.001 0.000 0.777 130 P CB -0.040 31.644 31.700 -0.027 0.000 0.794 131 V N -4.932 114.987 119.914 0.008 0.000 2.988 131 V HA 0.400 4.576 4.120 0.094 0.000 0.356 131 V C -0.019 176.120 176.094 0.076 0.000 1.380 131 V CA 0.007 62.316 62.300 0.015 0.000 1.184 131 V CB -0.445 31.353 31.823 -0.042 0.000 1.204 131 V HN 0.072 nan 8.190 nan 0.000 0.530 132 T N -3.814 110.806 114.554 0.110 0.000 2.816 132 T HA 0.505 4.912 4.350 0.094 0.000 0.299 132 T C 0.145 174.925 174.700 0.134 0.000 1.230 132 T CA -0.516 61.674 62.100 0.150 0.000 1.007 132 T CB 2.480 71.486 68.868 0.230 0.000 1.289 132 T HN 0.044 nan 8.240 nan 0.000 0.508 133 K N -0.780 119.710 120.400 0.150 0.000 2.284 133 K HA 0.191 4.568 4.320 0.094 0.000 0.198 133 K C -0.520 176.210 176.600 0.218 0.000 1.048 133 K CA 0.336 56.714 56.287 0.152 0.000 0.987 133 K CB 0.237 32.817 32.500 0.133 0.000 0.800 133 K HN 0.584 nan 8.250 nan 0.000 0.486 134 Y N -0.029 120.312 120.300 0.068 0.000 2.433 134 Y HA 0.487 5.092 4.550 0.092 0.000 0.337 134 Y C -1.932 174.020 175.900 0.086 0.000 1.026 134 Y CA -1.064 57.070 58.100 0.057 0.000 1.037 134 Y CB 2.024 40.499 38.460 0.024 0.000 1.245 134 Y HN -0.117 nan 8.280 nan 0.000 0.443 135 A N 7.559 130.201 122.820 -0.296 0.000 2.497 135 A HA 0.710 5.086 4.320 0.094 0.000 0.280 135 A C -2.082 175.306 177.584 -0.326 0.000 1.065 135 A CA -0.388 51.571 52.037 -0.130 0.000 0.781 135 A CB 0.559 19.638 19.000 0.131 0.000 1.289 135 A HN 0.857 nan 8.150 nan 0.000 0.415 136 I N 0.916 121.260 120.570 -0.377 0.000 2.918 136 I HA 0.540 4.766 4.170 0.094 0.000 0.301 136 I C -1.144 174.835 176.117 -0.229 0.000 1.312 136 I CA -0.418 60.697 61.300 -0.307 0.000 1.007 136 I CB 2.176 39.920 38.000 -0.427 0.000 1.281 136 I HN 0.801 nan 8.210 nan 0.000 0.440 137 E N 5.047 125.163 120.200 -0.139 0.000 2.171 137 E HA 0.438 4.845 4.350 0.094 0.000 0.271 137 E C -1.480 175.070 176.600 -0.083 0.000 0.916 137 E CA -0.725 55.604 56.400 -0.118 0.000 0.774 137 E CB 1.993 31.660 29.700 -0.054 0.000 1.128 137 E HN 0.431 nan 8.360 nan 0.000 0.403 138 V N 5.009 124.873 119.914 -0.082 0.000 2.377 138 V HA 0.015 4.191 4.120 0.094 0.000 0.254 138 V C 1.199 177.274 176.094 -0.033 0.000 1.060 138 V CA 0.651 62.920 62.300 -0.051 0.000 1.068 138 V CB -0.055 31.736 31.823 -0.053 0.000 1.113 138 V HN 0.872 nan 8.190 nan 0.000 0.484 139 T N 0.692 115.232 114.554 -0.023 0.000 3.144 139 T HA 0.539 4.945 4.350 0.094 0.000 0.249 139 T C 0.419 175.116 174.700 -0.005 0.000 1.089 139 T CA 0.423 62.516 62.100 -0.012 0.000 0.989 139 T CB 0.257 69.120 68.868 -0.009 0.000 0.992 139 T HN 0.837 nan 8.240 nan 0.000 0.540 140 A N 2.276 125.092 122.820 -0.006 0.000 2.456 140 A HA 0.659 5.035 4.320 0.094 0.000 0.288 140 A C -2.211 175.372 177.584 -0.002 0.000 1.042 140 A CA -1.511 50.526 52.037 -0.000 0.000 0.738 140 A CB 1.469 20.470 19.000 0.003 0.000 1.266 140 A HN -0.022 nan 8.150 nan 0.000 0.407 141 P HA -0.179 nan 4.420 nan 0.000 0.220 141 P C 0.354 177.655 177.300 0.003 0.000 1.144 141 P CA 1.276 64.378 63.100 0.003 0.000 0.800 141 P CB 0.288 31.998 31.700 0.017 0.000 0.772 142 D N -0.067 120.339 120.400 0.009 0.000 2.277 142 D HA 0.023 4.719 4.640 0.094 0.000 0.208 142 D C 1.775 178.077 176.300 0.004 0.000 0.962 142 D CA 0.810 54.818 54.000 0.013 0.000 0.865 142 D CB -0.029 40.782 40.800 0.018 0.000 0.939 142 D HN 0.203 nan 8.370 nan 0.000 0.510 143 A N 0.532 123.351 122.820 -0.001 0.000 2.275 143 A HA 0.062 4.438 4.320 0.094 0.000 0.212 143 A C 1.863 179.440 177.584 -0.012 0.000 1.201 143 A CA -0.139 51.897 52.037 -0.001 0.000 0.843 143 A CB -0.080 18.922 19.000 0.003 0.000 0.873 143 A HN 0.089 nan 8.150 nan 0.000 0.492 144 L N 0.418 121.624 121.223 -0.029 0.000 1.951 144 L HA -0.215 4.181 4.340 0.094 0.000 0.222 144 L C 2.661 179.494 176.870 -0.062 0.000 1.078 144 L CA 2.667 57.475 54.840 -0.053 0.000 0.778 144 L CB -1.013 40.999 42.059 -0.079 0.000 0.893 144 L HN 0.352 nan 8.230 nan 0.000 0.436 145 A N -0.497 122.273 122.820 -0.083 0.000 1.908 145 A HA -0.271 4.105 4.320 0.094 0.000 0.218 145 A C 2.129 179.686 177.584 -0.045 0.000 1.181 145 A CA 1.929 53.911 52.037 -0.090 0.000 0.627 145 A CB -0.922 18.014 19.000 -0.105 0.000 0.818 145 A HN 0.774 nan 8.150 nan 0.000 0.445 146 E N -0.251 119.937 120.200 -0.020 0.000 2.110 146 E HA -0.129 4.277 4.350 0.094 0.000 0.193 146 E C 1.720 178.336 176.600 0.027 0.000 0.988 146 E CA 1.550 57.951 56.400 0.002 0.000 0.804 146 E CB -0.567 29.141 29.700 0.014 0.000 0.745 146 E HN 0.275 nan 8.360 nan 0.000 0.458 147 V N 1.481 121.419 119.914 0.040 0.000 2.295 147 V HA -0.229 3.947 4.120 0.094 0.000 0.246 147 V C 2.523 178.668 176.094 0.084 0.000 1.049 147 V CA 1.522 63.883 62.300 0.101 0.000 1.024 147 V CB -0.177 31.686 31.823 0.067 0.000 0.648 147 V HN 0.216 nan 8.190 nan 0.000 0.447 148 V N -0.276 119.662 119.914 0.040 0.000 2.295 148 V HA -0.254 3.922 4.120 0.094 0.000 0.246 148 V C 2.694 178.865 176.094 0.130 0.000 1.049 148 V CA 2.348 64.694 62.300 0.076 0.000 1.024 148 V CB -0.753 31.093 31.823 0.038 0.000 0.648 148 V HN 0.640 nan 8.190 nan 0.000 0.447 149 S N 0.603 116.323 115.700 0.034 0.000 2.359 149 S HA -0.258 4.268 4.470 0.094 0.000 0.224 149 S C 1.933 176.535 174.600 0.004 0.000 1.035 149 S CA 2.075 60.279 58.200 0.008 0.000 1.018 149 S CB -0.511 62.667 63.200 -0.037 0.000 0.876 149 S HN 0.648 nan 8.310 nan 0.000 0.448 150 N N 1.831 120.492 118.700 -0.065 0.000 2.166 150 N HA 0.015 4.811 4.740 0.094 0.000 0.186 150 N C 1.929 177.100 175.510 -0.565 0.000 1.019 150 N CA 1.343 54.268 53.050 -0.209 0.000 0.856 150 N CB -0.991 37.433 38.487 -0.106 0.000 0.993 150 N HN 0.555 nan 8.380 nan 0.000 0.426 151 A N 0.332 122.771 122.820 -0.635 0.000 1.908 151 A HA -0.105 4.271 4.320 0.094 0.000 0.218 151 A C 2.019 179.356 177.584 -0.413 0.000 1.181 151 A CA 1.069 52.633 52.037 -0.789 0.000 0.627 151 A CB -0.921 17.899 19.000 -0.300 0.000 0.818 151 A HN 0.201 nan 8.150 nan 0.000 0.445 152 F N -0.565 119.241 119.950 -0.239 0.000 2.186 152 F HA -0.073 4.513 4.527 0.098 0.000 0.299 152 F C 2.558 178.280 175.800 -0.129 0.000 1.090 152 F CA 1.701 59.618 58.000 -0.139 0.000 1.307 152 F CB -0.219 38.721 39.000 -0.099 0.000 1.019 152 F HN 0.088 nan 8.300 nan 0.000 0.489 153 R N -0.258 120.251 120.500 0.014 0.000 2.073 153 R HA -0.061 4.335 4.340 0.094 0.000 0.229 153 R C 2.428 178.695 176.300 -0.055 0.000 1.120 153 R CA 1.100 57.190 56.100 -0.017 0.000 0.967 153 R CB -0.589 29.693 30.300 -0.031 0.000 0.862 153 R HN 0.243 nan 8.270 nan 0.000 0.436 154 A N 0.642 123.372 122.820 -0.150 0.000 1.933 154 A HA -0.110 4.266 4.320 0.094 0.000 0.218 154 A C 2.262 179.819 177.584 -0.045 0.000 1.175 154 A CA 1.711 53.689 52.037 -0.099 0.000 0.628 154 A CB -0.628 18.265 19.000 -0.178 0.000 0.814 154 A HN 0.424 nan 8.150 nan 0.000 0.444 155 A N -0.267 122.500 122.820 -0.088 0.000 1.930 155 A HA -0.101 4.275 4.320 0.094 0.000 0.217 155 A C 1.903 179.479 177.584 -0.013 0.000 1.175 155 A CA 1.567 53.571 52.037 -0.055 0.000 0.627 155 A CB -0.336 18.582 19.000 -0.137 0.000 0.815 155 A HN 0.639 nan 8.150 nan 0.000 0.443 156 E N -0.801 119.400 120.200 0.003 0.000 2.216 156 E HA 0.013 4.419 4.350 0.094 0.000 0.192 156 E C 0.272 176.889 176.600 0.028 0.000 0.973 156 E CA -0.045 56.371 56.400 0.028 0.000 0.851 156 E CB 0.027 29.761 29.700 0.056 0.000 0.804 156 E HN 0.471 nan 8.360 nan 0.000 0.477 157 Q N 0.371 120.186 119.800 0.024 0.000 2.317 157 Q HA 0.296 4.692 4.340 0.094 0.000 0.229 157 Q C 0.934 176.956 176.000 0.038 0.000 0.984 157 Q CA 0.533 56.353 55.803 0.028 0.000 0.911 157 Q CB 0.656 29.408 28.738 0.023 0.000 1.217 157 Q HN 0.254 nan 8.270 nan 0.000 0.501 158 G N 1.492 110.318 108.800 0.043 0.000 2.582 158 G HA2 -0.346 3.670 3.960 0.094 0.000 0.288 158 G HA3 -0.346 3.670 3.960 0.094 0.000 0.288 158 G C -0.589 174.349 174.900 0.064 0.000 1.247 158 G CA 0.066 45.202 45.100 0.059 0.000 0.972 158 G HN 0.573 nan 8.290 nan 0.000 0.557 159 R N 1.791 122.342 120.500 0.086 0.000 2.248 159 R HA 0.375 4.771 4.340 0.094 0.000 0.337 159 R C -2.201 174.134 176.300 0.059 0.000 1.085 159 R CA -1.280 54.866 56.100 0.076 0.000 0.934 159 R CB 0.750 31.111 30.300 0.101 0.000 1.034 159 R HN 0.259 nan 8.270 nan 0.000 0.465 160 P HA -0.018 nan 4.420 nan 0.000 0.267 160 P C -0.010 177.312 177.300 0.038 0.000 1.201 160 P CA 0.177 63.298 63.100 0.034 0.000 0.775 160 P CB 0.799 32.514 31.700 0.025 0.000 0.854 161 G N -0.263 108.559 108.800 0.038 0.000 2.619 161 G HA2 0.534 4.550 3.960 0.094 0.000 0.305 161 G HA3 0.534 4.550 3.960 0.094 0.000 0.305 161 G C -1.263 173.666 174.900 0.049 0.000 1.330 161 G CA -0.496 44.634 45.100 0.050 0.000 0.789 161 G HN 0.533 nan 8.290 nan 0.000 0.487 162 S N -1.203 114.542 115.700 0.075 0.000 2.608 162 S HA 0.847 5.373 4.470 0.094 0.000 0.291 162 S C -0.127 174.541 174.600 0.114 0.000 1.146 162 S CA 0.089 58.339 58.200 0.083 0.000 1.043 162 S CB 1.804 65.074 63.200 0.116 0.000 1.037 162 S HN 1.996 nan 8.310 nan 0.000 0.520 163 A N 1.787 124.664 122.820 0.094 0.000 2.393 163 A HA 0.748 5.125 4.320 0.094 0.000 0.306 163 A C -1.323 176.369 177.584 0.179 0.000 1.050 163 A CA -0.667 51.474 52.037 0.173 0.000 0.724 163 A CB 0.994 20.026 19.000 0.055 0.000 1.248 163 A HN 0.953 nan 8.150 nan 0.000 0.424 164 F N 2.787 122.755 119.950 0.030 0.000 2.482 164 F HA 0.694 5.288 4.527 0.112 0.000 0.331 164 F C -1.070 174.659 175.800 -0.118 0.000 1.115 164 F CA -0.878 57.012 58.000 -0.184 0.000 0.955 164 F CB 1.978 40.655 39.000 -0.538 0.000 1.136 164 F HN 0.344 nan 8.300 nan 0.000 0.452 165 V N 4.963 124.272 119.914 -1.009 0.000 2.483 165 V HA 0.350 4.526 4.120 0.094 0.000 0.297 165 V C -0.446 174.964 176.094 -1.141 0.000 1.027 165 V CA -0.772 61.054 62.300 -0.789 0.000 0.855 165 V CB 1.493 33.132 31.823 -0.307 0.000 0.995 165 V HN 0.831 nan 8.190 nan 0.000 0.424 166 S N 6.037 121.200 115.700 -0.896 0.000 2.452 166 S HA 0.636 5.163 4.470 0.094 0.000 0.284 166 S C -0.553 173.901 174.600 -0.245 0.000 1.171 166 S CA -0.479 57.414 58.200 -0.512 0.000 1.064 166 S CB 0.156 63.239 63.200 -0.195 0.000 0.967 166 S HN 0.573 nan 8.310 nan 0.000 0.484 167 L N 7.188 128.316 121.223 -0.159 0.000 2.313 167 L HA 0.405 4.801 4.340 0.094 0.000 0.273 167 L C -2.350 174.499 176.870 -0.035 0.000 1.028 167 L CA -2.232 52.555 54.840 -0.088 0.000 0.871 167 L CB 1.348 43.360 42.059 -0.077 0.000 1.242 167 L HN 0.440 nan 8.230 nan 0.000 0.434 168 P HA -0.057 nan 4.420 nan 0.000 0.265 168 P C 0.424 177.727 177.300 0.005 0.000 1.193 168 P CA 0.093 63.192 63.100 -0.002 0.000 0.765 168 P CB 0.703 32.401 31.700 -0.002 0.000 0.823 169 Q N 3.188 122.996 119.800 0.014 0.000 2.135 169 Q HA -0.263 4.133 4.340 0.094 0.000 0.204 169 Q C 1.315 177.328 176.000 0.021 0.000 0.981 169 Q CA 2.047 57.861 55.803 0.018 0.000 0.856 169 Q CB -0.198 28.551 28.738 0.019 0.000 0.902 169 Q HN 0.540 nan 8.270 nan 0.000 0.425 170 D N -0.744 119.669 120.400 0.021 0.000 2.178 170 D HA -0.130 4.566 4.640 0.094 0.000 0.202 170 D C 1.819 178.138 176.300 0.031 0.000 0.974 170 D CA 1.071 55.087 54.000 0.027 0.000 0.841 170 D CB -0.314 40.500 40.800 0.023 0.000 0.953 170 D HN 0.241 nan 8.370 nan 0.000 0.478 171 V N 1.465 121.391 119.914 0.020 0.000 2.453 171 V HA -0.190 3.986 4.120 0.094 0.000 0.247 171 V C 2.883 178.991 176.094 0.024 0.000 1.048 171 V CA 1.637 63.947 62.300 0.017 0.000 1.049 171 V CB -0.228 31.594 31.823 -0.002 0.000 0.672 171 V HN 0.317 nan 8.190 nan 0.000 0.457 172 V N -2.403 117.524 119.914 0.021 0.000 2.951 172 V HA -0.006 4.170 4.120 0.094 0.000 0.255 172 V C 1.790 177.922 176.094 0.062 0.000 1.088 172 V CA 1.622 63.937 62.300 0.025 0.000 1.109 172 V CB -0.547 31.279 31.823 0.006 0.000 0.724 172 V HN 0.400 nan 8.190 nan 0.000 0.471 173 D N 1.530 121.970 120.400 0.068 0.000 2.240 173 D HA 0.195 4.891 4.640 0.094 0.000 0.206 173 D C 1.410 177.848 176.300 0.230 0.000 0.963 173 D CA 1.264 55.325 54.000 0.102 0.000 0.863 173 D CB -0.164 40.669 40.800 0.056 0.000 0.973 173 D HN 0.608 nan 8.370 nan 0.000 0.501 174 G N 1.035 109.921 108.800 0.143 0.000 2.562 174 G HA2 0.401 4.417 3.960 0.094 0.000 0.275 174 G HA3 0.401 4.417 3.960 0.094 0.000 0.275 174 G C -2.465 172.497 174.900 0.103 0.000 1.196 174 G CA -0.992 44.180 45.100 0.119 0.000 0.908 174 G HN -0.073 nan 8.290 nan 0.000 0.524 175 P HA 0.309 nan 4.420 nan 0.000 0.274 175 P C -0.310 177.037 177.300 0.077 0.000 1.231 175 P CA -0.074 63.054 63.100 0.047 0.000 0.790 175 P CB 1.528 33.234 31.700 0.011 0.000 0.951 176 V N -1.343 118.648 119.914 0.128 0.000 3.114 176 V HA 0.800 4.976 4.120 0.094 0.000 0.308 176 V C -0.642 175.576 176.094 0.206 0.000 1.168 176 V CA -1.109 61.268 62.300 0.127 0.000 1.015 176 V CB 1.794 33.664 31.823 0.078 0.000 1.050 176 V HN 0.664 nan 8.190 nan 0.000 0.433 177 S N 0.597 116.392 115.700 0.158 0.000 2.552 177 S HA 1.010 5.536 4.470 0.094 0.000 0.314 177 S C -0.058 174.643 174.600 0.169 0.000 1.099 177 S CA 0.030 58.334 58.200 0.173 0.000 1.070 177 S CB 0.817 64.070 63.200 0.088 0.000 0.998 177 S HN 2.457 nan 8.310 nan 0.000 0.474 178 G N 0.457 109.410 108.800 0.256 0.000 2.316 178 G HA2 0.600 4.616 3.960 0.094 0.000 0.296 178 G HA3 0.600 4.616 3.960 0.094 0.000 0.296 178 G C -1.430 173.655 174.900 0.309 0.000 1.399 178 G CA -0.290 44.924 45.100 0.190 0.000 0.833 178 G HN 0.963 nan 8.290 nan 0.000 0.565 179 K N -0.646 119.866 120.400 0.187 0.000 2.340 179 K HA 0.887 5.263 4.320 0.094 0.000 0.244 179 K C 0.012 176.672 176.600 0.100 0.000 0.973 179 K CA -0.380 56.032 56.287 0.208 0.000 0.828 179 K CB 1.782 34.360 32.500 0.131 0.000 1.226 179 K HN 1.489 nan 8.250 nan 0.000 0.437 180 V N 2.400 122.374 119.914 0.100 0.000 2.485 180 V HA 0.105 4.281 4.120 0.094 0.000 0.287 180 V C -0.015 176.073 176.094 -0.009 0.000 1.022 180 V CA -0.353 61.948 62.300 0.002 0.000 1.067 180 V CB 0.306 32.135 31.823 0.010 0.000 0.967 180 V HN 0.645 nan 8.190 nan 0.000 0.479 181 L N 9.858 131.058 121.223 -0.039 0.000 2.315 181 L HA 0.325 4.721 4.340 0.094 0.000 0.283 181 L C -1.591 175.248 176.870 -0.051 0.000 1.089 181 L CA -1.138 53.682 54.840 -0.033 0.000 0.833 181 L CB 0.391 42.429 42.059 -0.034 0.000 1.170 181 L HN 0.476 nan 8.230 nan 0.000 0.442 182 P HA 0.033 nan 4.420 nan 0.000 0.267 182 P C -0.772 176.494 177.300 -0.056 0.000 1.200 182 P CA -0.455 62.617 63.100 -0.046 0.000 0.772 182 P CB 0.778 32.462 31.700 -0.027 0.000 0.855 183 A N 2.721 125.498 122.820 -0.072 0.000 2.457 183 A HA 0.232 4.608 4.320 0.094 0.000 0.298 183 A C 1.696 179.256 177.584 -0.040 0.000 1.288 183 A CA 0.066 52.060 52.037 -0.071 0.000 0.956 183 A CB -0.712 18.229 19.000 -0.098 0.000 1.135 183 A HN 0.581 nan 8.150 nan 0.000 0.535 184 S N 3.008 118.691 115.700 -0.027 0.000 2.359 184 S HA 0.243 4.770 4.470 0.094 0.000 0.224 184 S C 1.392 175.985 174.600 -0.011 0.000 1.035 184 S CA 1.118 59.308 58.200 -0.016 0.000 1.018 184 S CB -0.939 62.256 63.200 -0.009 0.000 0.876 184 S HN 2.531 nan 8.310 nan 0.000 0.448 185 G N 1.206 110.002 108.800 -0.007 0.000 2.545 185 G HA2 0.260 4.277 3.960 0.094 0.000 0.216 185 G HA3 0.260 4.277 3.960 0.094 0.000 0.216 185 G C -0.121 174.782 174.900 0.005 0.000 1.314 185 G CA -0.233 44.867 45.100 -0.000 0.000 0.906 185 G HN 1.485 nan 8.290 nan 0.000 0.563 186 A N 1.107 123.931 122.820 0.006 0.000 2.454 186 A HA 0.643 5.019 4.320 0.094 0.000 0.260 186 A C -1.224 176.364 177.584 0.007 0.000 1.106 186 A CA 0.038 52.081 52.037 0.009 0.000 0.780 186 A CB -0.472 18.533 19.000 0.008 0.000 1.044 186 A HN 0.689 nan 8.150 nan 0.000 0.498 187 P HA 0.131 nan 4.420 nan 0.000 0.269 187 P C -0.509 176.796 177.300 0.008 0.000 1.209 187 P CA 0.002 63.108 63.100 0.009 0.000 0.776 187 P CB 0.414 32.120 31.700 0.012 0.000 0.876 188 Q N 1.924 121.728 119.800 0.006 0.000 2.402 188 Q HA 0.289 4.685 4.340 0.094 0.000 0.238 188 Q C -0.106 175.898 176.000 0.008 0.000 1.126 188 Q CA 0.179 55.985 55.803 0.006 0.000 0.904 188 Q CB 0.349 29.089 28.738 0.004 0.000 1.357 188 Q HN 0.482 nan 8.270 nan 0.000 0.491 192 A N -0.201 122.629 122.820 0.017 0.000 2.261 192 A HA 0.881 5.257 4.320 0.094 0.000 0.323 192 A C -2.633 174.964 177.584 0.022 0.000 1.107 192 A CA -1.813 50.237 52.037 0.023 0.000 0.883 192 A CB -0.307 18.710 19.000 0.028 0.000 1.251 192 A HN 0.516 nan 8.150 nan 0.000 0.502 193 P HA 0.058 nan 4.420 nan 0.000 0.254 193 P C -0.475 176.837 177.300 0.020 0.000 1.186 193 P CA 0.558 63.671 63.100 0.021 0.000 0.868 193 P CB 0.122 31.836 31.700 0.023 0.000 0.856 194 D N 2.310 122.720 120.400 0.017 0.000 2.239 194 D HA -0.209 4.488 4.640 0.094 0.000 0.202 194 D C 1.966 178.276 176.300 0.017 0.000 0.993 194 D CA 2.131 56.141 54.000 0.016 0.000 0.874 194 D CB -0.251 40.557 40.800 0.013 0.000 0.922 194 D HN 0.508 nan 8.370 nan 0.000 0.464 195 D N -0.183 120.226 120.400 0.016 0.000 2.120 195 D HA 0.107 4.804 4.640 0.094 0.000 0.202 195 D C 2.111 178.423 176.300 0.019 0.000 0.972 195 D CA 1.498 55.508 54.000 0.016 0.000 0.837 195 D CB -0.772 40.036 40.800 0.014 0.000 0.989 195 D HN 0.266 nan 8.370 nan 0.000 0.469 196 A N 0.179 123.011 122.820 0.021 0.000 1.972 196 A HA 0.055 4.432 4.320 0.094 0.000 0.219 196 A C 2.353 179.955 177.584 0.030 0.000 1.169 196 A CA 1.320 53.373 52.037 0.026 0.000 0.635 196 A CB -0.550 18.468 19.000 0.030 0.000 0.810 196 A HN 0.574 nan 8.150 nan 0.000 0.446 197 I N -0.059 120.528 120.570 0.029 0.000 2.099 197 I HA -0.274 3.952 4.170 0.094 0.000 0.239 197 I C 1.897 178.033 176.117 0.032 0.000 1.066 197 I CA 1.768 63.088 61.300 0.033 0.000 1.324 197 I CB -0.626 37.392 38.000 0.029 0.000 1.037 197 I HN 0.305 nan 8.210 nan 0.000 0.401 198 D N 0.276 120.692 120.400 0.026 0.000 2.228 198 D HA -0.264 4.432 4.640 0.094 0.000 0.203 198 D C 2.042 178.355 176.300 0.023 0.000 0.988 198 D CA 1.288 55.302 54.000 0.023 0.000 0.864 198 D CB -0.216 40.595 40.800 0.019 0.000 0.928 198 D HN 0.524 nan 8.370 nan 0.000 0.469 199 Q N 0.632 120.446 119.800 0.023 0.000 2.119 199 Q HA -0.111 4.285 4.340 0.094 0.000 0.201 199 Q C 2.128 178.143 176.000 0.024 0.000 0.972 199 Q CA 0.905 56.720 55.803 0.021 0.000 0.847 199 Q CB 0.275 29.025 28.738 0.021 0.000 0.903 199 Q HN 0.083 nan 8.270 nan 0.000 0.433 200 V N 0.997 120.930 119.914 0.032 0.000 2.323 200 V HA -0.186 3.990 4.120 0.094 0.000 0.244 200 V C 2.416 178.531 176.094 0.034 0.000 1.041 200 V CA 1.605 63.928 62.300 0.038 0.000 1.025 200 V CB -1.042 30.814 31.823 0.055 0.000 0.656 200 V HN 0.499 nan 8.190 nan 0.000 0.451 201 A N 0.391 123.234 122.820 0.037 0.000 1.978 201 A HA -0.236 4.140 4.320 0.094 0.000 0.220 201 A C 2.431 180.029 177.584 0.024 0.000 1.170 201 A CA 2.587 54.645 52.037 0.035 0.000 0.636 201 A CB -0.650 18.372 19.000 0.036 0.000 0.810 201 A HN 0.557 nan 8.150 nan 0.000 0.448 202 K N -0.099 120.312 120.400 0.019 0.000 2.062 202 K HA 0.143 4.520 4.320 0.094 0.000 0.205 202 K C 1.938 178.543 176.600 0.009 0.000 1.051 202 K CA 1.369 57.664 56.287 0.013 0.000 0.941 202 K CB -1.058 31.449 32.500 0.012 0.000 0.719 202 K HN 0.502 nan 8.250 nan 0.000 0.440 203 L N -0.025 121.203 121.223 0.008 0.000 2.046 203 L HA -0.071 4.326 4.340 0.094 0.000 0.208 203 L C 2.729 179.594 176.870 -0.009 0.000 1.077 203 L CA 1.223 56.064 54.840 0.001 0.000 0.747 203 L CB -0.426 41.634 42.059 0.003 0.000 0.896 203 L HN 0.286 nan 8.230 nan 0.000 0.432 204 I N 0.040 120.606 120.570 -0.007 0.000 2.226 204 I HA -0.296 3.931 4.170 0.094 0.000 0.245 204 I C 2.671 178.782 176.117 -0.010 0.000 1.100 204 I CA 1.284 62.572 61.300 -0.020 0.000 1.374 204 I CB -0.401 37.597 38.000 -0.004 0.000 1.057 204 I HN 0.214 nan 8.210 nan 0.000 0.413 205 A N -0.051 122.771 122.820 0.003 0.000 2.121 205 A HA -0.155 4.222 4.320 0.094 0.000 0.218 205 A C 2.259 179.843 177.584 0.001 0.000 1.154 205 A CA 1.787 53.828 52.037 0.006 0.000 0.679 205 A CB -0.729 18.277 19.000 0.011 0.000 0.795 205 A HN 0.537 nan 8.150 nan 0.000 0.458 206 Q N -1.215 118.583 119.800 -0.003 0.000 2.352 206 Q HA 0.683 5.079 4.340 0.094 0.000 0.212 206 Q C 0.967 176.961 176.000 -0.010 0.000 0.888 206 Q CA 0.661 56.461 55.803 -0.005 0.000 0.934 206 Q CB -0.564 28.172 28.738 -0.003 0.000 1.093 206 Q HN 1.014 nan 8.270 nan 0.000 0.523 207 A N 0.453 123.262 122.820 -0.018 0.000 2.327 207 A HA 0.539 4.915 4.320 0.094 0.000 0.283 207 A C 0.850 178.418 177.584 -0.027 0.000 1.127 207 A CA 0.177 52.199 52.037 -0.025 0.000 0.810 207 A CB 0.815 19.790 19.000 -0.041 0.000 1.066 207 A HN 0.374 nan 8.150 nan 0.000 0.492 208 K N 0.942 121.327 120.400 -0.025 0.000 2.308 208 K HA 0.079 4.455 4.320 0.094 0.000 0.197 208 K C -0.186 176.395 176.600 -0.032 0.000 1.049 208 K CA 0.878 57.150 56.287 -0.024 0.000 0.991 208 K CB 0.074 32.563 32.500 -0.018 0.000 0.836 208 K HN 0.783 nan 8.250 nan 0.000 0.500 209 N N 2.183 120.861 118.700 -0.036 0.000 2.723 209 N HA 0.210 5.006 4.740 0.094 0.000 0.290 209 N C -2.828 172.645 175.510 -0.061 0.000 1.882 209 N CA -1.360 51.664 53.050 -0.043 0.000 0.851 209 N CB 1.723 40.192 38.487 -0.029 0.000 1.234 209 N HN 0.131 nan 8.380 nan 0.000 0.491 210 P HA 0.311 nan 4.420 nan 0.000 0.277 210 P C -0.767 176.422 177.300 -0.184 0.000 1.240 210 P CA -0.423 62.586 63.100 -0.152 0.000 0.798 210 P CB 1.868 33.450 31.700 -0.196 0.000 0.979 211 I N 1.221 121.651 120.570 -0.233 0.000 2.722 211 I HA 0.414 4.640 4.170 0.094 0.000 0.292 211 I C -1.704 174.280 176.117 -0.221 0.000 1.267 211 I CA -0.988 60.199 61.300 -0.188 0.000 1.036 211 I CB 1.417 39.363 38.000 -0.091 0.000 1.281 211 I HN 0.117 nan 8.210 nan 0.000 0.423 212 F N 7.343 127.278 119.950 -0.024 0.000 2.411 212 F HA 0.538 5.122 4.527 0.094 0.000 0.350 212 F C -0.408 175.329 175.800 -0.105 0.000 1.114 212 F CA -0.742 57.229 58.000 -0.048 0.000 1.135 212 F CB 1.576 40.563 39.000 -0.022 0.000 1.120 212 F HN 0.334 nan 8.300 nan 0.000 0.495 213 L N 6.304 127.550 121.223 0.039 0.000 2.294 213 L HA 0.481 4.878 4.340 0.094 0.000 0.283 213 L C -1.119 175.696 176.870 -0.092 0.000 1.015 213 L CA -0.503 54.233 54.840 -0.172 0.000 0.831 213 L CB 0.604 42.352 42.059 -0.519 0.000 1.217 213 L HN 0.441 nan 8.230 nan 0.000 0.420 214 L N 5.238 126.437 121.223 -0.040 0.000 2.292 214 L HA 0.706 5.102 4.340 0.094 0.000 0.284 214 L C 0.840 177.747 176.870 0.061 0.000 1.065 214 L CA -0.393 54.449 54.840 0.004 0.000 0.806 214 L CB 1.169 43.224 42.059 -0.005 0.000 1.175 214 L HN 0.752 nan 8.230 nan 0.000 0.431 215 G N 1.096 109.978 108.800 0.136 0.000 2.667 215 G HA2 0.393 4.409 3.960 0.094 0.000 0.310 215 G HA3 0.393 4.409 3.960 0.094 0.000 0.310 215 G C 0.469 175.425 174.900 0.093 0.000 1.259 215 G CA -0.746 44.477 45.100 0.204 0.000 1.019 215 G HN 0.556 nan 8.290 nan 0.000 0.496 216 L N 0.004 121.269 121.223 0.070 0.000 2.040 216 L HA -0.228 4.168 4.340 0.094 0.000 0.228 216 L C 2.660 179.542 176.870 0.020 0.000 1.092 216 L CA 2.401 57.260 54.840 0.033 0.000 0.805 216 L CB -0.359 41.712 42.059 0.021 0.000 0.905 216 L HN 0.419 nan 8.230 nan 0.000 0.443 217 M N -0.724 118.894 119.600 0.030 0.000 2.267 217 M HA -0.126 4.410 4.480 0.094 0.000 0.263 217 M C 2.324 178.622 176.300 -0.004 0.000 1.063 217 M CA 1.644 56.955 55.300 0.018 0.000 1.090 217 M CB -1.943 30.676 32.600 0.032 0.000 1.392 217 M HN 0.537 nan 8.290 nan 0.000 0.422 218 A N 0.155 122.970 122.820 -0.008 0.000 2.067 218 A HA -0.060 4.317 4.320 0.094 0.000 0.219 218 A C 2.279 179.832 177.584 -0.051 0.000 1.158 218 A CA 1.709 53.721 52.037 -0.042 0.000 0.661 218 A CB -0.657 18.312 19.000 -0.052 0.000 0.801 218 A HN 0.603 nan 8.150 nan 0.000 0.452 219 S N -1.489 114.190 115.700 -0.035 0.000 2.575 219 S HA 0.149 4.675 4.470 0.094 0.000 0.215 219 S C 0.710 175.286 174.600 -0.040 0.000 0.966 219 S CA -0.128 58.046 58.200 -0.043 0.000 0.911 219 S CB -0.163 63.015 63.200 -0.036 0.000 0.780 219 S HN 0.404 nan 8.310 nan 0.000 0.514 220 Q N 3.298 123.080 119.800 -0.031 0.000 2.289 220 Q HA 0.250 4.646 4.340 0.094 0.000 0.273 220 Q C -1.524 174.456 176.000 -0.032 0.000 1.029 220 Q CA -2.096 53.692 55.803 -0.026 0.000 0.896 220 Q CB 0.959 29.688 28.738 -0.015 0.000 1.182 220 Q HN 0.161 nan 8.270 nan 0.000 0.385 221 P HA -0.185 nan 4.420 nan 0.000 0.224 221 P C -0.321 176.961 177.300 -0.030 0.000 1.142 221 P CA 1.048 64.130 63.100 -0.031 0.000 0.778 221 P CB 0.519 32.204 31.700 -0.025 0.000 0.764 222 E N -0.401 119.784 120.200 -0.025 0.000 2.427 222 E HA -0.015 4.391 4.350 0.094 0.000 0.196 222 E C 1.270 177.851 176.600 -0.031 0.000 1.028 222 E CA 0.541 56.928 56.400 -0.023 0.000 0.864 222 E CB -0.425 29.267 29.700 -0.014 0.000 0.813 222 E HN 0.371 nan 8.360 nan 0.000 0.514 223 N N -1.020 117.656 118.700 -0.040 0.000 2.171 223 N HA 0.062 4.859 4.740 0.094 0.000 0.212 223 N C 1.062 176.529 175.510 -0.072 0.000 1.184 223 N CA 0.138 53.155 53.050 -0.055 0.000 0.888 223 N CB 0.700 39.153 38.487 -0.058 0.000 1.038 223 N HN -0.039 nan 8.380 nan 0.000 0.517 224 S N 1.935 117.597 115.700 -0.064 0.000 2.359 224 S HA -0.250 4.276 4.470 0.094 0.000 0.222 224 S C 2.368 176.921 174.600 -0.078 0.000 1.038 224 S CA 2.520 60.676 58.200 -0.073 0.000 1.051 224 S CB -0.057 63.108 63.200 -0.058 0.000 0.944 224 S HN 0.501 nan 8.310 nan 0.000 0.433 225 K N 0.967 121.330 120.400 -0.061 0.000 2.009 225 K HA 0.156 4.532 4.320 0.094 0.000 0.210 225 K C 2.417 178.975 176.600 -0.069 0.000 1.049 225 K CA 1.920 58.173 56.287 -0.057 0.000 0.929 225 K CB -1.723 30.752 32.500 -0.042 0.000 0.714 225 K HN 0.690 nan 8.250 nan 0.000 0.440 226 A N 0.409 123.187 122.820 -0.069 0.000 1.972 226 A HA 0.071 4.448 4.320 0.094 0.000 0.219 226 A C 2.392 179.906 177.584 -0.116 0.000 1.169 226 A CA 1.762 53.753 52.037 -0.077 0.000 0.635 226 A CB -0.407 18.553 19.000 -0.066 0.000 0.810 226 A HN 0.571 nan 8.150 nan 0.000 0.446 227 L N -0.073 121.065 121.223 -0.141 0.000 2.005 227 L HA -0.075 4.321 4.340 0.094 0.000 0.207 227 L C 2.864 179.598 176.870 -0.226 0.000 1.072 227 L CA 2.843 57.558 54.840 -0.209 0.000 0.744 227 L CB -1.114 40.823 42.059 -0.204 0.000 0.895 227 L HN 0.414 nan 8.230 nan 0.000 0.433 228 R N -0.046 120.347 120.500 -0.178 0.000 2.117 228 R HA -0.166 4.231 4.340 0.094 0.000 0.243 228 R C 2.377 178.600 176.300 -0.128 0.000 1.143 228 R CA 2.584 58.584 56.100 -0.166 0.000 0.968 228 R CB -2.084 28.151 30.300 -0.107 0.000 0.863 228 R HN 0.616 nan 8.270 nan 0.000 0.444 229 R N 0.321 120.762 120.500 -0.099 0.000 2.066 229 R HA 0.163 4.560 4.340 0.094 0.000 0.232 229 R C 2.468 178.732 176.300 -0.060 0.000 1.131 229 R CA 1.638 57.699 56.100 -0.064 0.000 0.955 229 R CB -1.298 28.971 30.300 -0.051 0.000 0.851 229 R HN 0.540 nan 8.270 nan 0.000 0.432 230 L N 0.643 121.807 121.223 -0.097 0.000 2.131 230 L HA 0.007 4.404 4.340 0.094 0.000 0.210 230 L C 2.310 179.156 176.870 -0.039 0.000 1.092 230 L CA 1.585 56.378 54.840 -0.078 0.000 0.759 230 L CB -0.244 41.710 42.059 -0.176 0.000 0.903 230 L HN 0.431 nan 8.230 nan 0.000 0.435 231 L N -1.110 120.030 121.223 -0.138 0.000 2.072 231 L HA -0.121 4.276 4.340 0.094 0.000 0.205 231 L C 2.404 179.339 176.870 0.108 0.000 1.079 231 L CA 1.171 55.943 54.840 -0.114 0.000 0.752 231 L CB -0.583 41.123 42.059 -0.588 0.000 0.906 231 L HN 0.277 nan 8.230 nan 0.000 0.436 232 E N -0.557 119.669 120.200 0.044 0.000 2.268 232 E HA -0.131 4.275 4.350 0.094 0.000 0.195 232 E C 1.961 178.579 176.600 0.031 0.000 0.995 232 E CA 1.367 57.804 56.400 0.061 0.000 0.836 232 E CB 0.029 29.738 29.700 0.014 0.000 0.763 232 E HN 0.438 nan 8.360 nan 0.000 0.491 233 T N 0.136 114.722 114.554 0.055 0.000 2.901 233 T HA -0.088 4.318 4.350 0.094 0.000 0.252 233 T C 2.213 176.982 174.700 0.114 0.000 1.035 233 T CA 1.271 63.406 62.100 0.059 0.000 1.142 233 T CB -0.002 68.893 68.868 0.046 0.000 0.869 233 T HN 0.216 nan 8.240 nan 0.000 0.442 234 S N 0.287 116.094 115.700 0.177 0.000 2.406 234 S HA -0.039 4.488 4.470 0.094 0.000 0.224 234 S C 1.005 175.793 174.600 0.314 0.000 1.030 234 S CA 0.924 59.259 58.200 0.225 0.000 0.958 234 S CB -0.632 62.746 63.200 0.296 0.000 0.811 234 S HN 0.707 nan 8.310 nan 0.000 0.489 235 H N 0.136 119.352 119.070 0.243 0.000 2.899 235 H HA -0.108 4.504 4.556 0.094 0.000 0.282 235 H C -0.840 174.658 175.328 0.283 0.000 1.198 235 H CA 0.268 56.489 56.048 0.289 0.000 1.140 235 H CB -1.511 28.345 29.762 0.157 0.000 1.317 235 H HN 0.492 nan 8.280 nan 0.000 0.375 236 I N 1.488 122.299 120.570 0.402 0.000 2.519 236 I HA 0.150 4.377 4.170 0.094 0.000 0.287 236 I C -1.788 174.551 176.117 0.369 0.000 1.047 236 I CA -1.757 59.671 61.300 0.213 0.000 1.381 236 I CB 0.998 38.964 38.000 -0.055 0.000 1.417 236 I HN 0.011 nan 8.210 nan 0.000 0.540 237 P HA 0.076 nan 4.420 nan 0.000 0.269 237 P C -1.115 176.383 177.300 0.329 0.000 1.217 237 P CA 0.004 63.246 63.100 0.236 0.000 0.783 237 P CB 0.586 32.314 31.700 0.047 0.000 0.898 238 V N 0.800 120.933 119.914 0.366 0.000 2.841 238 V HA 0.659 4.835 4.120 0.094 0.000 0.310 238 V C -0.094 176.080 176.094 0.132 0.000 1.090 238 V CA -0.410 62.076 62.300 0.310 0.000 0.930 238 V CB 2.209 34.251 31.823 0.366 0.000 1.014 238 V HN 0.540 nan 8.190 nan 0.000 0.425 239 T N 1.994 116.571 114.554 0.039 0.000 2.903 239 T HA 0.746 5.152 4.350 0.094 0.000 0.299 239 T C -0.877 173.801 174.700 -0.038 0.000 1.093 239 T CA -0.220 61.811 62.100 -0.114 0.000 1.002 239 T CB 1.850 70.611 68.868 -0.179 0.000 1.127 239 T HN 0.798 nan 8.240 nan 0.000 0.488 240 S N 1.344 117.012 115.700 -0.053 0.000 2.570 240 S HA 0.688 5.214 4.470 0.094 0.000 0.286 240 S C -0.074 174.424 174.600 -0.170 0.000 1.099 240 S CA -0.953 57.223 58.200 -0.041 0.000 0.913 240 S CB 1.779 65.026 63.200 0.078 0.000 1.085 240 S HN 1.020 nan 8.310 nan 0.000 0.480 241 T N -0.595 113.900 114.554 -0.099 0.000 2.816 241 T HA 0.362 4.768 4.350 0.094 0.000 0.282 241 T C 0.516 175.115 174.700 -0.168 0.000 0.993 241 T CA -0.250 61.790 62.100 -0.101 0.000 0.994 241 T CB 0.047 68.986 68.868 0.117 0.000 1.025 241 T HN 0.500 nan 8.240 nan 0.000 0.529 242 Y N 0.120 120.423 120.300 0.004 0.000 2.352 242 Y HA -0.034 4.573 4.550 0.095 0.000 0.292 242 Y C 3.053 178.963 175.900 0.017 0.000 1.136 242 Y CA 1.048 59.158 58.100 0.016 0.000 1.227 242 Y CB -0.342 38.127 38.460 0.015 0.000 0.991 242 Y HN 0.672 nan 8.280 nan 0.000 0.545 243 Q N -0.743 119.135 119.800 0.130 0.000 2.226 243 Q HA -0.097 4.300 4.340 0.094 0.000 0.204 243 Q C 1.616 177.636 176.000 0.032 0.000 0.975 243 Q CA 1.098 56.943 55.803 0.071 0.000 0.866 243 Q CB -0.076 28.697 28.738 0.057 0.000 0.915 243 Q HN 0.439 nan 8.270 nan 0.000 0.440 244 A N -0.318 122.517 122.820 0.024 0.000 2.545 244 A HA 0.456 4.832 4.320 0.094 0.000 0.277 244 A C 1.671 179.247 177.584 -0.013 0.000 1.301 244 A CA 0.464 52.503 52.037 0.003 0.000 0.935 244 A CB 0.032 19.040 19.000 0.013 0.000 1.093 244 A HN 0.283 nan 8.150 nan 0.000 0.519 245 A N -0.226 122.587 122.820 -0.010 0.000 2.032 245 A HA 0.000 4.376 4.320 0.094 0.000 0.221 245 A C 2.041 179.614 177.584 -0.019 0.000 1.165 245 A CA 1.956 53.988 52.037 -0.008 0.000 0.645 245 A CB -0.619 18.413 19.000 0.054 0.000 0.807 245 A HN 0.833 nan 8.150 nan 0.000 0.453 246 G N -1.817 106.961 108.800 -0.035 0.000 2.939 246 G HA2 0.298 4.314 3.960 0.094 0.000 0.210 246 G HA3 0.298 4.314 3.960 0.094 0.000 0.210 246 G C 1.439 176.286 174.900 -0.088 0.000 1.160 246 G CA 0.920 45.984 45.100 -0.060 0.000 0.770 246 G HN 0.697 nan 8.290 nan 0.000 0.543 247 A N -0.306 122.464 122.820 -0.083 0.000 1.940 247 A HA 0.315 4.692 4.320 0.094 0.000 0.219 247 A C 0.843 178.337 177.584 -0.151 0.000 1.176 247 A CA 1.352 53.330 52.037 -0.099 0.000 0.631 247 A CB -0.025 18.928 19.000 -0.077 0.000 0.814 247 A HN 0.387 nan 8.150 nan 0.000 0.446 248 V N -1.404 118.375 119.914 -0.225 0.000 3.120 248 V HA 0.473 4.649 4.120 0.094 0.000 0.303 248 V C -1.199 174.439 176.094 -0.760 0.000 1.238 248 V CA -0.870 61.204 62.300 -0.376 0.000 1.008 248 V CB 2.125 33.760 31.823 -0.313 0.000 1.064 248 V HN 0.476 nan 8.190 nan 0.000 0.434 249 N N 0.549 118.817 118.700 -0.720 0.000 2.357 249 N HA 0.397 5.193 4.740 0.094 0.000 0.284 249 N C 0.440 175.674 175.510 -0.460 0.000 1.236 249 N CA -0.591 52.009 53.050 -0.749 0.000 0.774 249 N CB 2.223 40.570 38.487 -0.234 0.000 1.534 249 N HN 0.620 nan 8.380 nan 0.000 0.478 250 Q N 0.449 120.228 119.800 -0.034 0.000 2.197 250 Q HA -0.222 4.174 4.340 0.094 0.000 0.211 250 Q C 0.772 176.857 176.000 0.142 0.000 0.993 250 Q CA 2.505 58.482 55.803 0.291 0.000 0.883 250 Q CB -0.174 28.770 28.738 0.343 0.000 0.916 250 Q HN 0.783 nan 8.270 nan 0.000 0.418 251 D N -1.509 118.941 120.400 0.084 0.000 2.277 251 D HA -0.138 4.558 4.640 0.094 0.000 0.208 251 D C 0.731 177.066 176.300 0.059 0.000 0.962 251 D CA 1.250 55.291 54.000 0.069 0.000 0.865 251 D CB -0.634 40.203 40.800 0.062 0.000 0.939 251 D HN 0.751 nan 8.370 nan 0.000 0.510 252 N N -1.241 117.488 118.700 0.048 0.000 2.236 252 N HA 0.043 4.839 4.740 0.094 0.000 0.196 252 N C -0.692 174.940 175.510 0.203 0.000 1.114 252 N CA -0.535 52.560 53.050 0.075 0.000 0.859 252 N CB 0.246 38.742 38.487 0.015 0.000 0.982 252 N HN -0.022 nan 8.380 nan 0.000 0.493 253 F N 1.912 121.872 119.950 0.016 0.000 2.839 253 F HA 0.207 4.790 4.527 0.094 0.000 0.344 253 F C 0.752 176.629 175.800 0.129 0.000 1.242 253 F CA -1.406 56.639 58.000 0.075 0.000 1.091 253 F CB 1.020 40.065 39.000 0.076 0.000 1.374 253 F HN 0.023 nan 8.300 nan 0.000 0.553 254 S N 3.648 119.169 115.700 -0.299 0.000 2.440 254 S HA -0.142 4.384 4.470 0.094 0.000 0.238 254 S C 1.256 175.625 174.600 -0.385 0.000 1.010 254 S CA 1.038 59.080 58.200 -0.264 0.000 0.972 254 S CB -0.301 62.792 63.200 -0.180 0.000 0.774 254 S HN 0.756 nan 8.310 nan 0.000 0.501 255 R N 0.019 119.996 120.500 -0.873 0.000 2.586 255 R HA 0.350 4.747 4.340 0.094 0.000 0.306 255 R C -0.644 175.645 176.300 -0.018 0.000 1.079 255 R CA -0.464 55.341 56.100 -0.493 0.000 1.083 255 R CB -0.057 29.925 30.300 -0.530 0.000 1.306 255 R HN 0.418 nan 8.270 nan 0.000 0.567 256 F N 0.850 120.800 119.950 -0.001 0.000 2.443 256 F HA 0.241 4.824 4.527 0.093 0.000 0.353 256 F C 0.746 176.578 175.800 0.053 0.000 1.101 256 F CA -0.845 57.267 58.000 0.187 0.000 1.226 256 F CB 0.981 40.104 39.000 0.204 0.000 1.140 256 F HN -0.021 nan 8.300 nan 0.000 0.557 257 A N 4.574 127.016 122.820 -0.631 0.000 2.535 257 A HA 0.607 4.983 4.320 0.094 0.000 0.273 257 A C 0.790 177.927 177.584 -0.745 0.000 1.267 257 A CA 0.255 51.972 52.037 -0.534 0.000 0.940 257 A CB -1.137 17.699 19.000 -0.274 0.000 1.101 257 A HN 1.776 nan 8.150 nan 0.000 0.521 258 G N -0.438 107.431 108.800 -1.551 0.000 2.757 258 G HA2 -0.032 3.984 3.960 0.094 0.000 0.638 258 G HA3 -0.032 3.984 3.960 0.094 0.000 0.638 258 G C -0.725 173.873 174.900 -0.504 0.000 1.344 258 G CA -0.856 43.732 45.100 -0.853 0.000 0.855 258 G HN 0.526 nan 8.290 nan 0.000 0.537 259 R N -0.671 119.703 120.500 -0.210 0.000 2.297 259 R HA 0.617 5.013 4.340 0.094 0.000 0.308 259 R C 0.628 176.708 176.300 -0.366 0.000 1.029 259 R CA 0.086 55.959 56.100 -0.377 0.000 0.929 259 R CB 1.415 31.275 30.300 -0.735 0.000 1.046 259 R HN 1.366 nan 8.270 nan 0.000 0.461 260 V N 0.221 119.874 119.914 -0.435 0.000 2.667 260 V HA 0.946 5.122 4.120 0.094 0.000 0.308 260 V C 0.825 176.495 176.094 -0.707 0.000 1.048 260 V CA 0.033 62.072 62.300 -0.435 0.000 0.928 260 V CB 1.574 33.160 31.823 -0.395 0.000 1.004 260 V HN 0.821 nan 8.190 nan 0.000 0.444 261 G N 1.800 110.231 108.800 -0.616 0.000 2.485 261 G HA2 -0.132 3.884 3.960 0.094 0.000 0.181 261 G HA3 -0.132 3.884 3.960 0.094 0.000 0.181 261 G C -0.032 174.911 174.900 0.072 0.000 0.999 261 G CA 0.411 45.255 45.100 -0.427 0.000 0.721 261 G HN 1.080 nan 8.290 nan 0.000 0.486 262 L N -0.421 120.796 121.223 -0.010 0.000 2.638 262 L HA 0.702 5.098 4.340 0.094 0.000 0.195 262 L C 0.297 176.788 176.870 -0.633 0.000 1.065 262 L CA 0.310 54.925 54.840 -0.376 0.000 0.859 262 L CB 0.049 41.671 42.059 -0.728 0.000 1.269 262 L HN 0.061 nan 8.230 nan 0.000 0.484 263 F N 1.079 120.914 119.950 -0.191 0.000 2.379 263 F HA 0.242 4.826 4.527 0.095 0.000 0.332 263 F C 1.172 176.621 175.800 -0.586 0.000 1.096 263 F CA -0.445 57.370 58.000 -0.308 0.000 1.105 263 F CB 0.548 39.447 39.000 -0.168 0.000 1.189 263 F HN 0.192 nan 8.300 nan 0.000 0.515 264 N N 0.137 118.667 118.700 -0.284 0.000 2.322 264 N HA -0.036 4.761 4.740 0.094 0.000 0.194 264 N C -0.391 175.101 175.510 -0.031 0.000 1.126 264 N CA -0.010 52.890 53.050 -0.250 0.000 0.845 264 N CB -0.549 37.902 38.487 -0.059 0.000 0.976 264 N HN 0.538 nan 8.380 nan 0.000 0.475 265 N N -0.750 117.942 118.700 -0.014 0.000 2.497 265 N HA 0.073 4.869 4.740 0.094 0.000 0.284 265 N C -0.828 174.667 175.510 -0.025 0.000 1.459 265 N CA -0.396 52.646 53.050 -0.012 0.000 0.899 265 N CB 0.135 38.599 38.487 -0.038 0.000 1.316 265 N HN -0.020 nan 8.380 nan 0.000 0.500 266 Q N 0.258 120.058 119.800 -0.001 0.000 2.259 266 Q HA 0.454 4.850 4.340 0.094 0.000 0.249 266 Q C 0.884 176.858 176.000 -0.042 0.000 0.914 266 Q CA -0.114 55.673 55.803 -0.028 0.000 0.904 266 Q CB 1.855 30.588 28.738 -0.009 0.000 1.213 266 Q HN 0.380 nan 8.270 nan 0.000 0.428 267 A N 2.937 125.703 122.820 -0.091 0.000 1.933 267 A HA -0.127 4.249 4.320 0.094 0.000 0.218 267 A C 1.869 179.401 177.584 -0.087 0.000 1.175 267 A CA 1.910 53.892 52.037 -0.092 0.000 0.628 267 A CB -0.818 18.103 19.000 -0.131 0.000 0.814 267 A HN 0.862 nan 8.150 nan 0.000 0.444 268 G N -0.204 108.520 108.800 -0.126 0.000 2.469 268 G HA2 -0.293 3.724 3.960 0.094 0.000 0.219 268 G HA3 -0.293 3.724 3.960 0.094 0.000 0.219 268 G C 1.232 176.113 174.900 -0.032 0.000 1.150 268 G CA 1.234 46.263 45.100 -0.118 0.000 0.763 268 G HN 0.501 nan 8.290 nan 0.000 0.561 269 D N 0.369 120.788 120.400 0.033 0.000 2.144 269 D HA -0.037 4.660 4.640 0.094 0.000 0.200 269 D C 2.740 179.098 176.300 0.097 0.000 0.978 269 D CA 0.532 54.609 54.000 0.129 0.000 0.833 269 D CB -0.122 40.809 40.800 0.220 0.000 0.961 269 D HN 0.289 nan 8.370 nan 0.000 0.470 270 R N 0.272 120.803 120.500 0.051 0.000 2.092 270 R HA -0.005 4.391 4.340 0.094 0.000 0.231 270 R C 2.543 178.857 176.300 0.023 0.000 1.119 270 R CA 0.511 56.633 56.100 0.037 0.000 0.970 270 R CB -0.202 30.105 30.300 0.012 0.000 0.864 270 R HN 0.202 nan 8.270 nan 0.000 0.440 271 L N 0.431 121.655 121.223 0.002 0.000 2.109 271 L HA -0.130 4.266 4.340 0.094 0.000 0.207 271 L C 2.293 179.170 176.870 0.012 0.000 1.086 271 L CA 0.982 55.816 54.840 -0.010 0.000 0.760 271 L CB -0.309 41.728 42.059 -0.037 0.000 0.910 271 L HN 0.183 nan 8.230 nan 0.000 0.437 272 L N -0.757 120.486 121.223 0.033 0.000 2.131 272 L HA -0.225 4.171 4.340 0.094 0.000 0.210 272 L C 2.610 179.562 176.870 0.137 0.000 1.092 272 L CA 0.907 55.799 54.840 0.086 0.000 0.759 272 L CB -0.280 41.851 42.059 0.121 0.000 0.903 272 L HN 0.277 nan 8.230 nan 0.000 0.435 273 Q N -0.283 119.585 119.800 0.113 0.000 2.123 273 Q HA -0.151 4.245 4.340 0.094 0.000 0.199 273 Q C 1.953 177.988 176.000 0.058 0.000 0.966 273 Q CA 1.234 57.094 55.803 0.094 0.000 0.845 273 Q CB -0.126 28.661 28.738 0.082 0.000 0.907 273 Q HN 0.342 nan 8.270 nan 0.000 0.439 274 L N -0.241 121.006 121.223 0.040 0.000 2.240 274 L HA 0.294 4.691 4.340 0.094 0.000 0.211 274 L C 0.320 177.199 176.870 0.016 0.000 1.106 274 L CA 0.600 55.452 54.840 0.020 0.000 0.793 274 L CB -0.750 41.312 42.059 0.005 0.000 0.927 274 L HN 0.060 nan 8.230 nan 0.000 0.446 275 A N 0.421 123.254 122.820 0.023 0.000 2.565 275 A HA 0.035 4.411 4.320 0.094 0.000 0.237 275 A C 0.813 178.407 177.584 0.017 0.000 1.053 275 A CA 0.594 52.639 52.037 0.013 0.000 0.755 275 A CB -0.165 18.849 19.000 0.023 0.000 0.980 275 A HN 0.610 nan 8.150 nan 0.000 0.506 276 D N 0.463 120.862 120.400 -0.001 0.000 2.417 276 D HA 0.225 4.922 4.640 0.094 0.000 0.207 276 D C -0.075 176.224 176.300 -0.001 0.000 1.075 276 D CA 0.069 54.069 54.000 0.000 0.000 0.851 276 D CB 0.152 40.947 40.800 -0.008 0.000 0.976 276 D HN 0.325 nan 8.370 nan 0.000 0.505 277 L N 0.753 121.970 121.223 -0.011 0.000 2.528 277 L HA 0.461 4.858 4.340 0.094 0.000 0.267 277 L C -1.935 174.918 176.870 -0.029 0.000 0.961 277 L CA -0.844 53.985 54.840 -0.018 0.000 0.866 277 L CB 2.290 44.321 42.059 -0.046 0.000 1.248 277 L HN -0.197 nan 8.230 nan 0.000 0.404 278 V N 6.630 126.556 119.914 0.020 0.000 2.378 278 V HA 0.509 4.685 4.120 0.094 0.000 0.288 278 V C -0.016 176.104 176.094 0.043 0.000 1.016 278 V CA -0.316 62.001 62.300 0.027 0.000 0.840 278 V CB 1.607 33.517 31.823 0.146 0.000 0.994 278 V HN 0.615 nan 8.190 nan 0.000 0.431 279 I N 4.382 124.954 120.570 0.003 0.000 2.330 279 I HA 0.334 4.560 4.170 0.094 0.000 0.286 279 I C -0.180 176.044 176.117 0.178 0.000 1.025 279 I CA -0.153 61.215 61.300 0.113 0.000 1.197 279 I CB 1.101 39.193 38.000 0.153 0.000 1.358 279 I HN 0.512 nan 8.210 nan 0.000 0.467 280 C N 7.393 126.788 119.300 0.159 0.000 2.415 280 C HA 0.514 5.030 4.460 0.094 0.000 0.369 280 C C 0.434 175.489 174.990 0.108 0.000 1.279 280 C CA -0.508 58.582 59.018 0.121 0.000 1.886 280 C CB -0.435 27.463 27.740 0.263 0.000 2.468 280 C HN 0.537 nan 8.230 nan 0.000 0.553 281 I N 2.936 123.551 120.570 0.074 0.000 2.389 281 I HA 0.441 4.668 4.170 0.094 0.000 0.288 281 I C 1.062 177.207 176.117 0.047 0.000 0.999 281 I CA 0.086 61.394 61.300 0.014 0.000 1.129 281 I CB 1.253 39.221 38.000 -0.053 0.000 1.288 281 I HN 0.945 nan 8.210 nan 0.000 0.444 282 G N 4.622 113.437 108.800 0.026 0.000 2.225 282 G HA2 -0.332 3.684 3.960 0.094 0.000 0.267 282 G HA3 -0.332 3.684 3.960 0.094 0.000 0.267 282 G C -0.303 174.689 174.900 0.153 0.000 1.024 282 G CA 0.285 45.425 45.100 0.067 0.000 0.784 282 G HN 0.686 nan 8.290 nan 0.000 0.507 283 Y N 0.729 121.066 120.300 0.062 0.000 2.342 283 Y HA 0.676 5.283 4.550 0.095 0.000 0.334 283 Y C 0.061 176.064 175.900 0.170 0.000 1.067 283 Y CA -0.585 57.575 58.100 0.098 0.000 1.128 283 Y CB 2.004 40.518 38.460 0.090 0.000 1.200 283 Y HN 0.285 nan 8.280 nan 0.000 0.464 284 S N 6.404 121.685 115.700 -0.698 0.000 2.500 284 S HA 0.419 4.946 4.470 0.094 0.000 0.301 284 S C -2.138 171.750 174.600 -1.187 0.000 1.092 284 S CA -1.937 55.866 58.200 -0.662 0.000 1.030 284 S CB 1.658 64.617 63.200 -0.402 0.000 1.031 284 S HN 0.631 nan 8.310 nan 0.000 0.483 285 P HA -0.166 nan 4.420 nan 0.000 0.218 285 P C 1.599 178.729 177.300 -0.284 0.000 1.146 285 P CA 1.490 64.282 63.100 -0.515 0.000 0.820 285 P CB -0.229 31.293 31.700 -0.296 0.000 0.778 286 V N -1.933 117.798 119.914 -0.305 0.000 2.469 286 V HA -0.255 3.921 4.120 0.094 0.000 0.251 286 V C 1.822 177.872 176.094 -0.074 0.000 1.064 286 V CA 1.790 63.988 62.300 -0.170 0.000 1.066 286 V CB -1.594 30.109 31.823 -0.200 0.000 0.667 286 V HN 0.154 nan 8.190 nan 0.000 0.461 287 E N -0.793 119.342 120.200 -0.108 0.000 2.268 287 E HA -0.039 4.368 4.350 0.094 0.000 0.195 287 E C 0.108 176.888 176.600 0.299 0.000 0.995 287 E CA 1.089 57.530 56.400 0.068 0.000 0.836 287 E CB 0.063 29.797 29.700 0.057 0.000 0.763 287 E HN 0.729 nan 8.360 nan 0.000 0.491 288 Y N 0.756 121.170 120.300 0.191 0.000 2.252 288 Y HA 0.084 4.689 4.550 0.093 0.000 0.321 288 Y C -1.167 174.950 175.900 0.362 0.000 1.208 288 Y CA -1.312 56.961 58.100 0.288 0.000 1.258 288 Y CB 0.305 38.964 38.460 0.331 0.000 1.235 288 Y HN -0.258 nan 8.280 nan 0.000 0.408 289 E N 7.336 127.621 120.200 0.142 0.000 3.250 289 E HA -0.077 4.329 4.350 0.094 0.000 0.244 289 E C -1.798 174.666 176.600 -0.227 0.000 0.931 289 E CA -0.290 56.080 56.400 -0.050 0.000 0.954 289 E CB 0.966 30.625 29.700 -0.068 0.000 0.894 289 E HN 0.477 nan 8.360 nan 0.000 0.560 290 P HA -0.202 nan 4.420 nan 0.000 0.217 290 P C 0.889 177.727 177.300 -0.769 0.000 1.148 290 P CA 1.896 64.610 63.100 -0.644 0.000 0.828 290 P CB 0.210 31.723 31.700 -0.313 0.000 0.783 291 A N -1.259 121.315 122.820 -0.410 0.000 2.070 291 A HA -0.176 4.200 4.320 0.094 0.000 0.220 291 A C 1.988 179.383 177.584 -0.314 0.000 1.159 291 A CA 1.494 53.343 52.037 -0.313 0.000 0.656 291 A CB -1.190 17.695 19.000 -0.191 0.000 0.800 291 A HN 0.076 nan 8.150 nan 0.000 0.453 292 M N -1.234 118.146 119.600 -0.368 0.000 2.419 292 M HA -0.004 4.532 4.480 0.094 0.000 0.264 292 M C 1.768 177.980 176.300 -0.147 0.000 1.082 292 M CA 0.739 55.862 55.300 -0.294 0.000 1.119 292 M CB -0.824 31.546 32.600 -0.383 0.000 1.398 292 M HN 0.988 nan 8.290 nan 0.000 0.453 293 W N -1.737 119.398 121.300 -0.274 0.000 2.977 293 W HA 0.273 4.989 4.660 0.092 0.000 0.236 293 W C 0.014 176.495 176.519 -0.064 0.000 1.053 293 W CA -0.349 56.918 57.345 -0.130 0.000 1.375 293 W CB -0.450 28.942 29.460 -0.114 0.000 0.814 293 W HN 0.096 nan 8.180 nan 0.000 0.713 294 N N 2.926 121.112 118.700 -0.856 0.000 2.602 294 N HA 0.101 4.897 4.740 0.094 0.000 0.238 294 N C 1.149 176.458 175.510 -0.334 0.000 1.084 294 N CA 0.772 53.408 53.050 -0.690 0.000 0.952 294 N CB 1.240 38.921 38.487 -1.343 0.000 1.244 294 N HN 0.111 nan 8.380 nan 0.000 0.512 295 S N 2.176 117.793 115.700 -0.138 0.000 2.402 295 S HA 0.050 4.576 4.470 0.094 0.000 0.229 295 S C 1.524 176.069 174.600 -0.092 0.000 1.021 295 S CA 0.880 59.023 58.200 -0.095 0.000 0.974 295 S CB -0.361 62.818 63.200 -0.036 0.000 0.800 295 S HN 0.791 nan 8.310 nan 0.000 0.484 296 G N 1.949 110.701 108.800 -0.080 0.000 2.184 296 G HA2 -0.305 3.712 3.960 0.094 0.000 0.206 296 G HA3 -0.305 3.712 3.960 0.094 0.000 0.206 296 G C 0.618 175.500 174.900 -0.030 0.000 0.995 296 G CA 0.500 45.561 45.100 -0.064 0.000 0.651 296 G HN 0.770 nan 8.290 nan 0.000 0.511 297 N N 1.006 119.696 118.700 -0.016 0.000 2.409 297 N HA 0.484 5.280 4.740 0.094 0.000 0.179 297 N C 1.158 176.670 175.510 0.004 0.000 1.032 297 N CA 1.425 54.471 53.050 -0.007 0.000 0.898 297 N CB -0.052 38.433 38.487 -0.003 0.000 0.971 297 N HN 1.147 nan 8.380 nan 0.000 0.441 298 A N -0.114 122.718 122.820 0.020 0.000 2.302 298 A HA 0.471 4.848 4.320 0.094 0.000 0.285 298 A C -0.012 177.588 177.584 0.027 0.000 1.105 298 A CA -0.521 51.535 52.037 0.031 0.000 0.816 298 A CB 0.187 19.224 19.000 0.062 0.000 1.067 298 A HN 0.265 nan 8.150 nan 0.000 0.489 299 T N 1.947 116.513 114.554 0.020 0.000 2.834 299 T HA 0.351 4.757 4.350 0.094 0.000 0.298 299 T C -0.256 174.464 174.700 0.033 0.000 0.966 299 T CA 0.369 62.478 62.100 0.015 0.000 1.141 299 T CB 0.017 68.890 68.868 0.007 0.000 0.905 299 T HN 0.477 nan 8.240 nan 0.000 0.535 300 L N 6.080 127.320 121.223 0.029 0.000 2.296 300 L HA 0.625 5.021 4.340 0.094 0.000 0.286 300 L C -0.832 176.067 176.870 0.048 0.000 1.023 300 L CA -0.384 54.490 54.840 0.056 0.000 0.812 300 L CB 1.178 43.252 42.059 0.027 0.000 1.223 300 L HN 0.397 nan 8.230 nan 0.000 0.421 301 V N 4.600 124.568 119.914 0.091 0.000 2.513 301 V HA 0.397 4.574 4.120 0.094 0.000 0.299 301 V C -0.919 175.285 176.094 0.185 0.000 1.035 301 V CA -0.664 61.700 62.300 0.108 0.000 0.889 301 V CB 1.519 33.397 31.823 0.092 0.000 0.988 301 V HN 0.861 nan 8.190 nan 0.000 0.440 302 H N 4.589 123.718 119.070 0.098 0.000 2.505 302 H HA 0.747 5.358 4.556 0.093 0.000 0.338 302 H C -1.103 174.316 175.328 0.153 0.000 1.057 302 H CA -0.525 55.627 56.048 0.174 0.000 1.202 302 H CB 1.265 31.123 29.762 0.160 0.000 1.466 302 H HN 0.576 nan 8.280 nan 0.000 0.499 303 I N 4.806 125.156 120.570 -0.367 0.000 2.499 303 I HA 0.321 4.547 4.170 0.094 0.000 0.288 303 I C -1.100 174.826 176.117 -0.319 0.000 1.048 303 I CA -0.548 60.620 61.300 -0.221 0.000 1.062 303 I CB 1.902 39.868 38.000 -0.056 0.000 1.238 303 I HN 0.674 nan 8.210 nan 0.000 0.426 304 D N 2.542 122.851 120.400 -0.152 0.000 2.755 304 D HA 0.130 4.826 4.640 0.094 0.000 0.277 304 D C 0.378 176.713 176.300 0.059 0.000 1.261 304 D CA -0.466 53.518 54.000 -0.026 0.000 0.759 304 D CB 1.898 42.719 40.800 0.035 0.000 1.279 304 D HN 0.244 nan 8.370 nan 0.000 0.420 305 V N -0.697 119.259 119.914 0.070 0.000 2.913 305 V HA 0.222 4.399 4.120 0.094 0.000 0.260 305 V C 0.650 176.794 176.094 0.083 0.000 1.098 305 V CA 1.073 63.413 62.300 0.066 0.000 1.121 305 V CB -0.901 30.958 31.823 0.059 0.000 0.714 305 V HN 0.326 nan 8.190 nan 0.000 0.487 306 L N 0.178 121.476 121.223 0.124 0.000 2.327 306 L HA 0.592 4.989 4.340 0.094 0.000 0.258 306 L C -2.461 174.487 176.870 0.130 0.000 1.024 306 L CA -2.341 52.557 54.840 0.097 0.000 0.825 306 L CB 2.283 44.395 42.059 0.088 0.000 1.386 306 L HN -0.133 nan 8.230 nan 0.000 0.417 307 P HA 0.061 nan 4.420 nan 0.000 0.271 307 P C -0.920 176.300 177.300 -0.134 0.000 1.244 307 P CA -0.350 62.739 63.100 -0.020 0.000 0.793 307 P CB 0.584 32.228 31.700 -0.094 0.000 0.984 308 A N 0.895 123.526 122.820 -0.315 0.000 2.401 308 A HA 0.224 4.601 4.320 0.094 0.000 0.259 308 A C -0.480 176.996 177.584 -0.180 0.000 1.103 308 A CA -0.312 51.449 52.037 -0.459 0.000 0.789 308 A CB -0.650 17.905 19.000 -0.742 0.000 1.035 308 A HN 0.448 nan 8.150 nan 0.000 0.491 309 Y N 2.124 122.432 120.300 0.014 0.000 2.667 309 Y HA 0.146 4.754 4.550 0.095 0.000 0.340 309 Y C 0.743 176.698 175.900 0.093 0.000 1.303 309 Y CA -0.115 58.004 58.100 0.032 0.000 1.769 309 Y CB -0.614 37.849 38.460 0.005 0.000 1.804 309 Y HN 0.692 nan 8.280 nan 0.000 0.451 310 E N 2.211 122.509 120.200 0.164 0.000 2.508 310 E HA 0.028 4.435 4.350 0.094 0.000 0.266 310 E C 0.101 176.788 176.600 0.145 0.000 1.010 310 E CA 0.386 56.880 56.400 0.157 0.000 0.955 310 E CB 0.552 30.273 29.700 0.034 0.000 0.946 310 E HN 0.729 nan 8.360 nan 0.000 0.454 311 E N 0.487 120.772 120.200 0.142 0.000 2.425 311 E HA 0.186 4.593 4.350 0.094 0.000 0.272 311 E C 0.454 177.083 176.600 0.048 0.000 1.061 311 E CA -0.988 55.462 56.400 0.085 0.000 0.877 311 E CB 0.443 30.192 29.700 0.081 0.000 1.590 311 E HN 0.424 nan 8.360 nan 0.000 0.462 312 R N 0.280 120.788 120.500 0.014 0.000 2.127 312 R HA -0.027 4.369 4.340 0.094 0.000 0.238 312 R C 0.466 176.747 176.300 -0.031 0.000 1.134 312 R CA 1.686 57.778 56.100 -0.014 0.000 0.975 312 R CB -0.482 29.803 30.300 -0.026 0.000 0.865 312 R HN 0.373 nan 8.270 nan 0.000 0.447 313 N N -0.855 117.826 118.700 -0.032 0.000 2.275 313 N HA 0.033 4.829 4.740 0.094 0.000 0.236 313 N C -1.376 174.125 175.510 -0.014 0.000 1.154 313 N CA -0.022 52.976 53.050 -0.087 0.000 0.866 313 N CB 0.909 39.288 38.487 -0.180 0.000 1.093 313 N HN 0.204 nan 8.380 nan 0.000 0.515 314 Y N 1.138 121.383 120.300 -0.091 0.000 2.489 314 Y HA 0.127 4.735 4.550 0.095 0.000 0.339 314 Y C -0.811 175.094 175.900 0.009 0.000 1.135 314 Y CA -0.868 57.220 58.100 -0.020 0.000 1.321 314 Y CB 0.367 38.866 38.460 0.066 0.000 1.098 314 Y HN -0.072 nan 8.280 nan 0.000 0.590 315 T N 2.931 117.347 114.554 -0.229 0.000 3.241 315 T HA 0.415 4.821 4.350 0.094 0.000 0.387 315 T C -3.003 171.551 174.700 -0.243 0.000 1.451 315 T CA -2.156 59.824 62.100 -0.200 0.000 1.363 315 T CB 0.904 69.714 68.868 -0.097 0.000 1.074 315 T HN 0.343 nan 8.240 nan 0.000 0.598 316 P HA 0.082 nan 4.420 nan 0.000 0.258 316 P C 0.324 177.570 177.300 -0.090 0.000 1.172 316 P CA 0.118 63.093 63.100 -0.209 0.000 0.762 316 P CB 0.775 32.379 31.700 -0.160 0.000 0.764 317 D N 1.350 121.717 120.400 -0.054 0.000 2.263 317 D HA -0.035 4.661 4.640 0.094 0.000 0.208 317 D C 0.558 176.854 176.300 -0.007 0.000 0.971 317 D CA 1.251 55.235 54.000 -0.027 0.000 0.867 317 D CB 0.374 41.166 40.800 -0.015 0.000 0.929 317 D HN 0.186 nan 8.370 nan 0.000 0.492 318 V N 0.461 120.381 119.914 0.010 0.000 2.733 318 V HA 0.250 4.426 4.120 0.094 0.000 0.306 318 V C -0.469 175.665 176.094 0.068 0.000 1.084 318 V CA -0.883 61.437 62.300 0.033 0.000 0.905 318 V CB 2.965 34.812 31.823 0.039 0.000 1.010 318 V HN -0.142 nan 8.190 nan 0.000 0.424 319 E N 4.031 124.275 120.200 0.073 0.000 2.222 319 E HA 0.768 5.174 4.350 0.094 0.000 0.267 319 E C -1.819 174.854 176.600 0.121 0.000 0.884 319 E CA -0.666 55.814 56.400 0.133 0.000 0.764 319 E CB 1.850 31.604 29.700 0.090 0.000 1.169 319 E HN 0.645 nan 8.360 nan 0.000 0.413 320 L N 4.034 125.349 121.223 0.152 0.000 2.406 320 L HA 0.556 4.952 4.340 0.094 0.000 0.272 320 L C -1.100 175.831 176.870 0.101 0.000 0.980 320 L CA -1.071 53.826 54.840 0.096 0.000 0.831 320 L CB 1.823 43.921 42.059 0.066 0.000 1.253 320 L HN 0.296 nan 8.230 nan 0.000 0.406 321 V N 1.739 121.703 119.914 0.082 0.000 2.540 321 V HA 1.009 5.185 4.120 0.094 0.000 0.302 321 V C 0.352 176.474 176.094 0.046 0.000 1.035 321 V CA -0.248 62.097 62.300 0.075 0.000 0.873 321 V CB 1.488 33.358 31.823 0.079 0.000 0.992 321 V HN 1.019 nan 8.190 nan 0.000 0.428 322 G N 2.550 111.373 108.800 0.039 0.000 2.343 322 G HA2 0.115 4.132 3.960 0.094 0.000 0.289 322 G HA3 0.115 4.132 3.960 0.094 0.000 0.289 322 G C -1.296 173.616 174.900 0.019 0.000 1.295 322 G CA -0.636 44.480 45.100 0.026 0.000 0.869 322 G HN 0.643 nan 8.290 nan 0.000 0.522 323 D N 0.833 121.240 120.400 0.012 0.000 2.359 323 D HA 0.064 4.760 4.640 0.094 0.000 0.273 323 D C 1.911 178.210 176.300 -0.001 0.000 1.362 323 D CA -0.027 53.977 54.000 0.006 0.000 1.010 323 D CB 0.062 40.864 40.800 0.003 0.000 1.090 323 D HN 0.369 nan 8.370 nan 0.000 0.521 324 I N 3.500 124.068 120.570 -0.004 0.000 2.091 324 I HA -0.415 3.812 4.170 0.094 0.000 0.240 324 I C 2.568 178.668 176.117 -0.029 0.000 1.046 324 I CA 1.684 62.973 61.300 -0.018 0.000 1.306 324 I CB -0.472 37.514 38.000 -0.023 0.000 1.018 324 I HN 0.453 nan 8.210 nan 0.000 0.404 325 A N 0.902 123.704 122.820 -0.030 0.000 1.927 325 A HA -0.232 4.145 4.320 0.094 0.000 0.220 325 A C 2.410 179.976 177.584 -0.029 0.000 1.185 325 A CA 2.446 54.462 52.037 -0.036 0.000 0.639 325 A CB -1.550 17.431 19.000 -0.030 0.000 0.820 325 A HN 0.556 nan 8.150 nan 0.000 0.451 326 G N -1.623 107.166 108.800 -0.018 0.000 2.394 326 G HA2 -0.072 3.944 3.960 0.094 0.000 0.214 326 G HA3 -0.072 3.944 3.960 0.094 0.000 0.214 326 G C 1.572 176.466 174.900 -0.010 0.000 1.176 326 G CA 1.544 46.637 45.100 -0.012 0.000 0.786 326 G HN 0.443 nan 8.290 nan 0.000 0.533 327 T N 1.850 116.399 114.554 -0.008 0.000 2.699 327 T HA -0.102 4.305 4.350 0.094 0.000 0.268 327 T C 2.398 177.094 174.700 -0.008 0.000 1.036 327 T CA 1.089 63.187 62.100 -0.002 0.000 1.147 327 T CB -0.253 68.616 68.868 0.001 0.000 0.862 327 T HN 0.140 nan 8.240 nan 0.000 0.446 328 L N 1.007 122.213 121.223 -0.028 0.000 2.056 328 L HA -0.099 4.297 4.340 0.094 0.000 0.207 328 L C 2.665 179.517 176.870 -0.031 0.000 1.078 328 L CA 1.031 55.844 54.840 -0.045 0.000 0.749 328 L CB -0.725 41.279 42.059 -0.091 0.000 0.901 328 L HN 0.250 nan 8.230 nan 0.000 0.433 329 N N 0.767 119.451 118.700 -0.028 0.000 2.104 329 N HA -0.207 4.590 4.740 0.094 0.000 0.190 329 N C 2.055 177.561 175.510 -0.006 0.000 1.024 329 N CA 2.063 55.101 53.050 -0.020 0.000 0.853 329 N CB -0.250 38.226 38.487 -0.018 0.000 1.008 329 N HN 0.390 nan 8.380 nan 0.000 0.424 330 K N 1.741 122.141 120.400 -0.000 0.000 1.965 330 K HA -0.065 4.311 4.320 0.094 0.000 0.214 330 K C 2.130 178.740 176.600 0.017 0.000 1.046 330 K CA 1.385 57.678 56.287 0.008 0.000 0.944 330 K CB -1.382 31.125 32.500 0.011 0.000 0.726 330 K HN 0.090 nan 8.250 nan 0.000 0.441 331 L N 0.754 121.992 121.223 0.024 0.000 2.103 331 L HA -0.168 4.228 4.340 0.094 0.000 0.215 331 L C 2.725 179.622 176.870 0.046 0.000 1.080 331 L CA 2.595 57.461 54.840 0.042 0.000 0.764 331 L CB -0.889 41.206 42.059 0.061 0.000 0.890 331 L HN 0.500 nan 8.230 nan 0.000 0.435 332 A N -1.417 121.422 122.820 0.032 0.000 1.902 332 A HA -0.236 4.140 4.320 0.094 0.000 0.217 332 A C 2.354 179.955 177.584 0.028 0.000 1.181 332 A CA 2.382 54.438 52.037 0.031 0.000 0.623 332 A CB -1.060 17.944 19.000 0.006 0.000 0.818 332 A HN 0.591 nan 8.150 nan 0.000 0.443 333 Q N -0.340 119.471 119.800 0.019 0.000 2.224 333 Q HA -0.140 4.257 4.340 0.094 0.000 0.203 333 Q C 1.436 177.448 176.000 0.021 0.000 0.970 333 Q CA 1.766 57.579 55.803 0.017 0.000 0.865 333 Q CB -1.014 27.730 28.738 0.011 0.000 0.922 333 Q HN 0.824 nan 8.270 nan 0.000 0.445 334 N N -0.580 118.135 118.700 0.026 0.000 2.268 334 N HA 0.275 5.071 4.740 0.094 0.000 0.204 334 N C -0.564 174.966 175.510 0.034 0.000 1.124 334 N CA -0.053 53.014 53.050 0.027 0.000 0.838 334 N CB 0.583 39.086 38.487 0.027 0.000 0.994 334 N HN 0.542 nan 8.380 nan 0.000 0.489 335 I N 0.345 120.939 120.570 0.040 0.000 2.304 335 I HA 0.168 4.395 4.170 0.094 0.000 0.291 335 I C 1.290 177.431 176.117 0.040 0.000 1.018 335 I CA -0.255 61.074 61.300 0.048 0.000 1.260 335 I CB 0.974 39.015 38.000 0.069 0.000 1.390 335 I HN 0.217 nan 8.210 nan 0.000 0.475 336 D N 4.157 124.578 120.400 0.035 0.000 2.087 336 D HA -0.060 4.637 4.640 0.094 0.000 0.201 336 D C 0.924 177.244 176.300 0.033 0.000 0.980 336 D CA 1.906 55.923 54.000 0.029 0.000 0.849 336 D CB -0.457 40.357 40.800 0.024 0.000 1.001 336 D HN 0.728 nan 8.370 nan 0.000 0.452 337 H N -1.012 118.080 119.070 0.037 0.000 2.573 337 H HA 0.769 5.381 4.556 0.094 0.000 0.351 337 H C 0.126 175.491 175.328 0.061 0.000 1.163 337 H CA -0.640 55.434 56.048 0.043 0.000 1.205 337 H CB 0.712 30.495 29.762 0.035 0.000 1.605 337 H HN 0.444 nan 8.280 nan 0.000 0.525 338 R N 0.752 121.298 120.500 0.076 0.000 2.539 338 R HA 0.267 4.664 4.340 0.094 0.000 0.275 338 R C -0.298 176.072 176.300 0.116 0.000 1.077 338 R CA -0.686 55.488 56.100 0.123 0.000 1.097 338 R CB 0.992 31.378 30.300 0.142 0.000 1.018 338 R HN 0.560 nan 8.270 nan 0.000 0.483 339 L N 2.928 124.230 121.223 0.131 0.000 2.462 339 L HA 0.048 4.444 4.340 0.094 0.000 0.272 339 L C -0.660 176.229 176.870 0.033 0.000 1.166 339 L CA 0.414 55.290 54.840 0.061 0.000 0.880 339 L CB 0.950 43.029 42.059 0.033 0.000 1.142 339 L HN 0.290 nan 8.230 nan 0.000 0.473 340 V N 7.383 127.304 119.914 0.011 0.000 2.304 340 V HA 0.222 4.398 4.120 0.094 0.000 0.269 340 V C 0.484 176.559 176.094 -0.031 0.000 1.036 340 V CA -0.700 61.597 62.300 -0.004 0.000 0.840 340 V CB 0.752 32.578 31.823 0.005 0.000 1.036 340 V HN 0.623 nan 8.190 nan 0.000 0.466 341 L N 4.752 125.937 121.223 -0.062 0.000 2.559 341 L HA 0.052 4.449 4.340 0.094 0.000 0.282 341 L C 1.197 178.038 176.870 -0.048 0.000 1.232 341 L CA 0.409 55.208 54.840 -0.069 0.000 0.885 341 L CB 0.486 42.487 42.059 -0.097 0.000 1.131 341 L HN 0.845 nan 8.230 nan 0.000 0.498 342 S N 2.809 118.483 115.700 -0.043 0.000 2.600 342 S HA 0.208 4.734 4.470 0.094 0.000 0.265 342 S C -1.770 172.809 174.600 -0.036 0.000 1.325 342 S CA -1.169 57.012 58.200 -0.033 0.000 1.002 342 S CB 0.948 64.130 63.200 -0.029 0.000 0.921 342 S HN 0.420 nan 8.310 nan 0.000 0.554 343 P HA -0.133 nan 4.420 nan 0.000 0.215 343 P C 1.603 178.883 177.300 -0.033 0.000 1.157 343 P CA 1.430 64.512 63.100 -0.030 0.000 0.874 343 P CB -0.009 31.677 31.700 -0.025 0.000 0.790 344 Q N -0.858 118.924 119.800 -0.029 0.000 2.050 344 Q HA -0.157 4.239 4.340 0.094 0.000 0.202 344 Q C 2.244 178.223 176.000 -0.035 0.000 0.980 344 Q CA 1.745 57.531 55.803 -0.029 0.000 0.840 344 Q CB -0.750 27.975 28.738 -0.022 0.000 0.898 344 Q HN 0.181 nan 8.270 nan 0.000 0.424 345 A N 1.111 123.907 122.820 -0.040 0.000 1.877 345 A HA -0.110 4.266 4.320 0.094 0.000 0.216 345 A C 2.319 179.867 177.584 -0.060 0.000 1.186 345 A CA 1.578 53.586 52.037 -0.049 0.000 0.620 345 A CB -0.838 18.130 19.000 -0.053 0.000 0.822 345 A HN 0.402 nan 8.150 nan 0.000 0.443 346 A N -0.520 122.263 122.820 -0.062 0.000 1.933 346 A HA -0.158 4.219 4.320 0.094 0.000 0.218 346 A C 1.959 179.507 177.584 -0.061 0.000 1.175 346 A CA 2.169 54.164 52.037 -0.069 0.000 0.628 346 A CB -0.427 18.535 19.000 -0.063 0.000 0.814 346 A HN 0.524 nan 8.150 nan 0.000 0.444 347 E N 0.105 120.274 120.200 -0.051 0.000 2.107 347 E HA -0.069 4.338 4.350 0.094 0.000 0.191 347 E C 1.681 178.252 176.600 -0.048 0.000 0.982 347 E CA 0.993 57.364 56.400 -0.048 0.000 0.809 347 E CB -0.354 29.321 29.700 -0.042 0.000 0.756 347 E HN 0.637 nan 8.360 nan 0.000 0.459 348 I N 0.125 120.666 120.570 -0.048 0.000 2.286 348 I HA -0.271 3.955 4.170 0.094 0.000 0.248 348 I C 2.033 178.113 176.117 -0.062 0.000 1.115 348 I CA 0.865 62.136 61.300 -0.048 0.000 1.392 348 I CB -0.138 37.834 38.000 -0.046 0.000 1.065 348 I HN 0.173 nan 8.210 nan 0.000 0.418 349 L N -0.149 121.031 121.223 -0.071 0.000 2.156 349 L HA -0.132 4.265 4.340 0.094 0.000 0.208 349 L C 2.674 179.502 176.870 -0.070 0.000 1.095 349 L CA 1.037 55.827 54.840 -0.082 0.000 0.770 349 L CB -0.510 41.492 42.059 -0.094 0.000 0.914 349 L HN 0.173 nan 8.230 nan 0.000 0.439 350 R N -0.003 120.463 120.500 -0.058 0.000 2.075 350 R HA -0.129 4.267 4.340 0.094 0.000 0.232 350 R C 1.793 178.079 176.300 -0.024 0.000 1.126 350 R CA 1.359 57.432 56.100 -0.044 0.000 0.963 350 R CB -0.328 29.944 30.300 -0.047 0.000 0.858 350 R HN 0.301 nan 8.270 nan 0.000 0.435 351 D N 0.254 120.638 120.400 -0.026 0.000 2.149 351 D HA -0.169 4.527 4.640 0.094 0.000 0.198 351 D C 1.821 178.118 176.300 -0.005 0.000 0.990 351 D CA 1.036 55.039 54.000 0.005 0.000 0.839 351 D CB -0.154 40.639 40.800 -0.011 0.000 0.948 351 D HN 0.165 nan 8.370 nan 0.000 0.460 352 R N 0.313 120.777 120.500 -0.059 0.000 2.115 352 R HA -0.095 4.301 4.340 0.094 0.000 0.230 352 R C 1.981 178.201 176.300 -0.134 0.000 1.111 352 R CA 0.942 56.973 56.100 -0.114 0.000 0.976 352 R CB 0.093 30.309 30.300 -0.139 0.000 0.870 352 R HN 0.062 nan 8.270 nan 0.000 0.445 353 Q N -0.235 119.515 119.800 -0.083 0.000 2.119 353 Q HA -0.205 4.192 4.340 0.094 0.000 0.201 353 Q C 1.922 177.902 176.000 -0.033 0.000 0.972 353 Q CA 1.538 57.297 55.803 -0.074 0.000 0.847 353 Q CB -0.308 28.408 28.738 -0.037 0.000 0.903 353 Q HN 0.615 nan 8.270 nan 0.000 0.433 354 H N 0.222 119.238 119.070 -0.090 0.000 2.357 354 H HA -0.102 4.510 4.556 0.094 0.000 0.301 354 H C 2.049 177.330 175.328 -0.079 0.000 1.082 354 H CA 1.558 57.565 56.048 -0.069 0.000 1.342 354 H CB 0.368 30.097 29.762 -0.055 0.000 1.389 354 H HN 0.295 nan 8.280 nan 0.000 0.511 355 Q N 0.967 120.676 119.800 -0.152 0.000 2.135 355 Q HA -0.206 4.191 4.340 0.094 0.000 0.204 355 Q C 2.590 178.447 176.000 -0.238 0.000 0.981 355 Q CA 1.646 57.318 55.803 -0.218 0.000 0.856 355 Q CB -0.126 28.512 28.738 -0.167 0.000 0.902 355 Q HN 0.393 nan 8.270 nan 0.000 0.425 356 R N 0.209 120.549 120.500 -0.267 0.000 2.081 356 R HA -0.174 4.222 4.340 0.094 0.000 0.235 356 R C 1.874 178.111 176.300 -0.106 0.000 1.131 356 R CA 1.873 57.787 56.100 -0.310 0.000 0.960 356 R CB -0.063 29.967 30.300 -0.449 0.000 0.856 356 R HN 0.378 nan 8.270 nan 0.000 0.436 357 E N 0.343 120.473 120.200 -0.117 0.000 2.077 357 E HA -0.176 4.230 4.350 0.094 0.000 0.193 357 E C 2.082 178.639 176.600 -0.072 0.000 0.989 357 E CA 1.347 57.708 56.400 -0.065 0.000 0.800 357 E CB -0.047 29.613 29.700 -0.066 0.000 0.746 357 E HN 0.376 nan 8.360 nan 0.000 0.452 358 L N 0.559 121.679 121.223 -0.172 0.000 2.046 358 L HA -0.196 4.200 4.340 0.094 0.000 0.208 358 L C 2.421 179.284 176.870 -0.012 0.000 1.077 358 L CA 0.880 55.640 54.840 -0.133 0.000 0.747 358 L CB -0.337 41.588 42.059 -0.223 0.000 0.896 358 L HN 0.189 nan 8.230 nan 0.000 0.432 359 L N -0.647 120.584 121.223 0.013 0.000 2.072 359 L HA -0.184 4.212 4.340 0.094 0.000 0.205 359 L C 2.163 179.263 176.870 0.383 0.000 1.079 359 L CA 0.963 55.895 54.840 0.153 0.000 0.752 359 L CB -0.562 41.499 42.059 0.003 0.000 0.906 359 L HN 0.246 nan 8.230 nan 0.000 0.436 360 D N 0.222 120.807 120.400 0.308 0.000 2.178 360 D HA -0.158 4.538 4.640 0.094 0.000 0.202 360 D C 0.968 177.348 176.300 0.134 0.000 0.974 360 D CA 0.407 54.569 54.000 0.270 0.000 0.841 360 D CB -0.226 40.694 40.800 0.200 0.000 0.953 360 D HN 0.049 nan 8.370 nan 0.000 0.478 361 R N 0.930 121.485 120.500 0.092 0.000 2.879 361 R HA -0.271 4.126 4.340 0.094 0.000 0.241 361 R C 1.270 177.580 176.300 0.017 0.000 0.845 361 R CA 0.380 56.505 56.100 0.042 0.000 0.599 361 R CB -0.714 29.613 30.300 0.044 0.000 1.213 361 R HN 0.354 nan 8.270 nan 0.000 0.510 362 R N -0.247 120.262 120.500 0.016 0.000 2.159 362 R HA -0.108 4.288 4.340 0.094 0.000 0.237 362 R C 1.637 177.930 176.300 -0.011 0.000 1.131 362 R CA 1.691 57.791 56.100 0.001 0.000 0.982 362 R CB -0.163 30.140 30.300 0.005 0.000 0.868 362 R HN 0.411 nan 8.270 nan 0.000 0.453 363 G N 0.581 109.376 108.800 -0.008 0.000 2.985 363 G HA2 0.244 4.260 3.960 0.094 0.000 0.209 363 G HA3 0.244 4.260 3.960 0.094 0.000 0.209 363 G C 0.348 175.234 174.900 -0.022 0.000 1.165 363 G CA 0.069 45.161 45.100 -0.013 0.000 0.776 363 G HN 0.526 nan 8.290 nan 0.000 0.541 364 A N -0.517 122.284 122.820 -0.032 0.000 2.462 364 A HA 0.596 4.972 4.320 0.094 0.000 0.243 364 A C 0.539 178.086 177.584 -0.062 0.000 1.076 364 A CA 0.555 52.560 52.037 -0.052 0.000 0.773 364 A CB 0.082 19.034 19.000 -0.079 0.000 1.010 364 A HN 0.740 nan 8.150 nan 0.000 0.493 365 Q N 1.783 121.547 119.800 -0.061 0.000 2.360 365 Q HA 0.587 4.983 4.340 0.094 0.000 0.254 365 Q C -0.707 175.247 176.000 -0.076 0.000 0.975 365 Q CA -0.280 55.490 55.803 -0.054 0.000 0.912 365 Q CB 0.304 29.021 28.738 -0.035 0.000 1.212 365 Q HN 0.779 nan 8.270 nan 0.000 0.452 366 L N 2.440 123.613 121.223 -0.083 0.000 2.784 366 L HA 0.321 4.717 4.340 0.094 0.000 0.241 366 L C 0.159 177.000 176.870 -0.049 0.000 1.352 366 L CA -0.467 54.317 54.840 -0.093 0.000 0.911 366 L CB 0.624 42.599 42.059 -0.141 0.000 1.227 366 L HN 0.661 nan 8.230 nan 0.000 0.501 367 N N 0.424 119.109 118.700 -0.027 0.000 2.230 367 N HA 0.009 4.805 4.740 0.094 0.000 0.202 367 N C 0.490 176.014 175.510 0.023 0.000 1.119 367 N CA -0.064 52.980 53.050 -0.010 0.000 0.851 367 N CB 0.557 39.035 38.487 -0.015 0.000 0.990 367 N HN 0.567 nan 8.380 nan 0.000 0.497 368 Q N 0.460 120.279 119.800 0.032 0.000 2.443 368 Q HA 0.182 4.578 4.340 0.094 0.000 0.232 368 Q C -0.934 175.139 176.000 0.121 0.000 1.026 368 Q CA 0.099 55.939 55.803 0.062 0.000 0.924 368 Q CB 0.945 29.708 28.738 0.041 0.000 1.256 368 Q HN 0.093 nan 8.270 nan 0.000 0.519 369 F N -0.225 119.692 119.950 -0.054 0.000 2.588 369 F HA 0.556 5.140 4.527 0.094 0.000 0.318 369 F C -0.748 175.014 175.800 -0.064 0.000 1.155 369 F CA -0.534 57.423 58.000 -0.072 0.000 0.967 369 F CB 1.678 40.640 39.000 -0.064 0.000 1.236 369 F HN 0.889 nan 8.300 nan 0.000 0.455 370 A N 5.499 127.935 122.820 -0.639 0.000 2.536 370 A HA 0.302 4.678 4.320 0.094 0.000 0.234 370 A C -0.178 177.145 177.584 -0.434 0.000 1.076 370 A CA -0.176 51.308 52.037 -0.920 0.000 0.769 370 A CB 0.020 18.618 19.000 -0.669 0.000 1.020 370 A HN 0.849 nan 8.150 nan 0.000 0.508 371 L N 2.047 123.035 121.223 -0.392 0.000 2.456 371 L HA 0.072 4.469 4.340 0.094 0.000 0.272 371 L C 1.182 177.870 176.870 -0.302 0.000 1.189 371 L CA -0.126 54.565 54.840 -0.248 0.000 0.846 371 L CB 0.204 42.097 42.059 -0.277 0.000 1.111 371 L HN 0.794 nan 8.230 nan 0.000 0.475 372 H N 4.534 123.433 119.070 -0.286 0.000 2.652 372 H HA 0.111 4.724 4.556 0.095 0.000 0.349 372 H C -1.908 173.131 175.328 -0.482 0.000 1.099 372 H CA -1.741 54.124 56.048 -0.304 0.000 1.417 372 H CB 1.837 31.480 29.762 -0.199 0.000 1.457 372 H HN 0.334 nan 8.280 nan 0.000 0.568 373 P HA -0.221 nan 4.420 nan 0.000 0.216 373 P C 1.702 178.671 177.300 -0.551 0.000 1.154 373 P CA 0.972 63.499 63.100 -0.956 0.000 0.865 373 P CB 0.199 30.694 31.700 -2.007 0.000 0.789 374 L N -0.553 120.541 121.223 -0.215 0.000 2.131 374 L HA -0.102 4.295 4.340 0.094 0.000 0.210 374 L C 2.418 179.175 176.870 -0.187 0.000 1.092 374 L CA 1.813 56.555 54.840 -0.164 0.000 0.759 374 L CB -1.016 41.004 42.059 -0.065 0.000 0.903 374 L HN -0.247 nan 8.230 nan 0.000 0.435 375 R N 0.085 120.493 120.500 -0.155 0.000 2.081 375 R HA -0.115 4.282 4.340 0.094 0.000 0.235 375 R C 2.111 178.286 176.300 -0.209 0.000 1.131 375 R CA 2.097 58.096 56.100 -0.168 0.000 0.960 375 R CB -0.679 29.537 30.300 -0.141 0.000 0.856 375 R HN 0.530 nan 8.270 nan 0.000 0.436 376 I N -0.446 119.933 120.570 -0.318 0.000 2.202 376 I HA -0.232 3.995 4.170 0.094 0.000 0.242 376 I C 2.101 178.152 176.117 -0.110 0.000 1.091 376 I CA 1.042 62.128 61.300 -0.357 0.000 1.368 376 I CB -0.381 37.096 38.000 -0.871 0.000 1.058 376 I HN -0.020 nan 8.210 nan 0.000 0.410 377 V N 1.132 121.033 119.914 -0.022 0.000 2.282 377 V HA -0.310 3.866 4.120 0.094 0.000 0.249 377 V C 2.635 178.691 176.094 -0.064 0.000 1.057 377 V CA 1.977 64.344 62.300 0.113 0.000 1.032 377 V CB -0.789 31.040 31.823 0.009 0.000 0.645 377 V HN 0.382 nan 8.190 nan 0.000 0.447 378 R N -0.096 120.307 120.500 -0.162 0.000 2.073 378 R HA -0.126 4.271 4.340 0.094 0.000 0.234 378 R C 2.447 178.671 176.300 -0.127 0.000 1.134 378 R CA 1.500 57.495 56.100 -0.176 0.000 0.952 378 R CB -0.639 29.567 30.300 -0.157 0.000 0.850 378 R HN 0.542 nan 8.270 nan 0.000 0.433 379 A N 0.889 123.649 122.820 -0.100 0.000 1.933 379 A HA -0.175 4.202 4.320 0.094 0.000 0.218 379 A C 2.152 179.716 177.584 -0.033 0.000 1.175 379 A CA 1.404 53.394 52.037 -0.078 0.000 0.628 379 A CB -0.401 18.542 19.000 -0.096 0.000 0.814 379 A HN 0.209 nan 8.150 nan 0.000 0.444 380 M N -0.901 118.716 119.600 0.029 0.000 2.175 380 M HA -0.210 4.326 4.480 0.094 0.000 0.264 380 M C 2.359 178.739 176.300 0.134 0.000 1.063 380 M CA 1.606 56.996 55.300 0.150 0.000 1.119 380 M CB -0.395 32.416 32.600 0.352 0.000 1.377 380 M HN 0.498 nan 8.290 nan 0.000 0.415 381 Q N 0.204 119.949 119.800 -0.093 0.000 2.181 381 Q HA -0.186 4.210 4.340 0.094 0.000 0.205 381 Q C 1.484 177.420 176.000 -0.107 0.000 0.980 381 Q CA 1.144 56.767 55.803 -0.300 0.000 0.862 381 Q CB -0.243 28.198 28.738 -0.495 0.000 0.905 381 Q HN 0.518 nan 8.270 nan 0.000 0.429 382 D N 0.924 121.280 120.400 -0.073 0.000 2.097 382 D HA -0.133 4.563 4.640 0.094 0.000 0.195 382 D C 2.007 178.299 176.300 -0.012 0.000 0.989 382 D CA 1.306 55.279 54.000 -0.045 0.000 0.827 382 D CB -0.039 40.731 40.800 -0.050 0.000 0.966 382 D HN 0.439 nan 8.370 nan 0.000 0.456 383 I N -1.352 119.222 120.570 0.007 0.000 2.876 383 I HA 0.007 4.233 4.170 0.094 0.000 0.264 383 I C 0.656 176.803 176.117 0.051 0.000 1.204 383 I CA 0.147 61.458 61.300 0.019 0.000 1.485 383 I CB 0.057 38.061 38.000 0.006 0.000 1.103 383 I HN -0.335 nan 8.210 nan 0.000 0.446 384 V N 4.809 124.779 119.914 0.093 0.000 2.372 384 V HA 0.179 4.355 4.120 0.094 0.000 0.261 384 V C -0.344 175.815 176.094 0.108 0.000 1.055 384 V CA -0.280 62.099 62.300 0.133 0.000 0.930 384 V CB -0.295 31.686 31.823 0.263 0.000 1.031 384 V HN 0.644 nan 8.190 nan 0.000 0.479 385 N N 2.665 121.412 118.700 0.078 0.000 2.815 385 N HA 0.300 5.096 4.740 0.094 0.000 0.315 385 N C 1.177 176.724 175.510 0.062 0.000 1.320 385 N CA -0.240 52.847 53.050 0.061 0.000 0.846 385 N CB 0.761 39.273 38.487 0.041 0.000 1.344 385 N HN 0.279 nan 8.380 nan 0.000 0.593 386 S N -1.911 113.818 115.700 0.049 0.000 2.440 386 S HA -0.177 4.349 4.470 0.094 0.000 0.240 386 S C 0.396 175.019 174.600 0.039 0.000 1.014 386 S CA 1.191 59.416 58.200 0.042 0.000 0.980 386 S CB -0.509 62.710 63.200 0.031 0.000 0.775 386 S HN 0.599 nan 8.310 nan 0.000 0.499 387 D N 0.668 121.094 120.400 0.042 0.000 2.349 387 D HA 0.266 4.962 4.640 0.094 0.000 0.214 387 D C -0.119 176.214 176.300 0.056 0.000 1.063 387 D CA 0.165 54.191 54.000 0.043 0.000 0.847 387 D CB 0.644 41.468 40.800 0.041 0.000 0.933 387 D HN 0.293 nan 8.370 nan 0.000 0.513 388 V N 0.808 120.759 119.914 0.062 0.000 2.513 388 V HA 0.293 4.469 4.120 0.094 0.000 0.299 388 V C 0.505 176.641 176.094 0.069 0.000 1.035 388 V CA -0.566 61.778 62.300 0.073 0.000 0.889 388 V CB 2.142 34.010 31.823 0.076 0.000 0.988 388 V HN -0.134 nan 8.190 nan 0.000 0.440 389 T N 5.348 119.947 114.554 0.075 0.000 2.875 389 T HA 0.617 5.024 4.350 0.094 0.000 0.284 389 T C -0.676 174.057 174.700 0.056 0.000 0.995 389 T CA -0.171 61.965 62.100 0.061 0.000 1.060 389 T CB 1.220 70.132 68.868 0.074 0.000 0.967 389 T HN 0.426 nan 8.240 nan 0.000 0.476 390 L N 3.690 124.927 121.223 0.024 0.000 2.356 390 L HA 0.692 5.088 4.340 0.094 0.000 0.277 390 L C -0.053 176.821 176.870 0.005 0.000 0.996 390 L CA -0.244 54.595 54.840 -0.001 0.000 0.822 390 L CB 1.811 43.828 42.059 -0.070 0.000 1.256 390 L HN 0.781 nan 8.230 nan 0.000 0.413 391 T N 2.135 116.723 114.554 0.056 0.000 2.856 391 T HA 0.832 5.239 4.350 0.094 0.000 0.283 391 T C -0.768 174.016 174.700 0.139 0.000 1.008 391 T CA -0.700 61.495 62.100 0.158 0.000 0.997 391 T CB 1.582 70.627 68.868 0.295 0.000 0.992 391 T HN 0.400 nan 8.240 nan 0.000 0.454 392 V N 3.026 123.074 119.914 0.223 0.000 2.588 392 V HA 0.447 4.623 4.120 0.094 0.000 0.304 392 V C 0.127 176.397 176.094 0.294 0.000 1.042 392 V CA -0.919 61.488 62.300 0.178 0.000 0.877 392 V CB 1.644 33.467 31.823 0.001 0.000 0.996 392 V HN 1.032 nan 8.190 nan 0.000 0.425 393 D N 2.133 122.727 120.400 0.323 0.000 2.478 393 D HA 0.398 5.094 4.640 0.094 0.000 0.274 393 D C -0.509 175.997 176.300 0.343 0.000 1.234 393 D CA -0.498 53.655 54.000 0.255 0.000 1.069 393 D CB 1.501 42.441 40.800 0.233 0.000 1.113 393 D HN 0.417 nan 8.370 nan 0.000 0.571 394 M N -0.197 119.489 119.600 0.144 0.000 2.336 394 M HA 0.504 5.040 4.480 0.094 0.000 0.342 394 M C -0.365 175.809 176.300 -0.210 0.000 1.128 394 M CA -0.019 55.178 55.300 -0.171 0.000 1.016 394 M CB 1.058 33.519 32.600 -0.232 0.000 1.665 394 M HN 0.453 nan 8.290 nan 0.000 0.445 395 G N 1.689 110.131 108.800 -0.598 0.000 2.341 395 G HA2 0.159 4.175 3.960 0.094 0.000 0.293 395 G HA3 0.159 4.175 3.960 0.094 0.000 0.293 395 G C -0.285 174.209 174.900 -0.676 0.000 1.298 395 G CA -0.254 44.569 45.100 -0.461 0.000 0.868 395 G HN 0.554 nan 8.290 nan 0.000 0.540 396 S N -0.389 115.094 115.700 -0.362 0.000 2.399 396 S HA -0.089 4.438 4.470 0.094 0.000 0.231 396 S C 2.139 176.622 174.600 -0.194 0.000 1.022 396 S CA 2.529 60.546 58.200 -0.305 0.000 0.983 396 S CB -0.551 62.372 63.200 -0.462 0.000 0.803 396 S HN 0.811 nan 8.310 nan 0.000 0.480 397 F N 1.425 121.343 119.950 -0.053 0.000 2.269 397 F HA -0.045 4.535 4.527 0.089 0.000 0.301 397 F C 1.996 177.624 175.800 -0.287 0.000 1.082 397 F CA 1.451 59.121 58.000 -0.551 0.000 1.360 397 F CB -1.195 36.924 39.000 -1.469 0.000 1.041 397 F HN 0.291 nan 8.300 nan 0.000 0.512 398 H N 0.466 118.792 119.070 -1.240 0.000 2.353 398 H HA -0.103 4.509 4.556 0.094 0.000 0.300 398 H C 2.073 177.218 175.328 -0.305 0.000 1.090 398 H CA 2.104 57.752 56.048 -0.666 0.000 1.327 398 H CB 0.026 29.345 29.762 -0.739 0.000 1.383 398 H HN 0.180 nan 8.280 nan 0.000 0.508 399 I N -0.226 120.299 120.570 -0.076 0.000 2.226 399 I HA -0.281 3.945 4.170 0.094 0.000 0.245 399 I C 1.874 178.054 176.117 0.105 0.000 1.100 399 I CA 1.027 62.315 61.300 -0.021 0.000 1.374 399 I CB -1.536 36.361 38.000 -0.171 0.000 1.057 399 I HN 0.481 nan 8.210 nan 0.000 0.413 400 W N 1.308 122.673 121.300 0.109 0.000 2.355 400 W HA -0.153 4.562 4.660 0.092 0.000 0.309 400 W C 2.661 179.381 176.519 0.334 0.000 1.206 400 W CA 0.907 58.419 57.345 0.279 0.000 1.284 400 W CB -0.512 29.150 29.460 0.337 0.000 1.145 400 W HN 0.000 nan 8.180 nan 0.000 0.502 401 I N -0.098 120.701 120.570 0.381 0.000 2.226 401 I HA -0.308 3.918 4.170 0.094 0.000 0.245 401 I C 2.542 178.790 176.117 0.218 0.000 1.100 401 I CA 1.367 62.826 61.300 0.265 0.000 1.374 401 I CB -0.949 37.030 38.000 -0.035 0.000 1.057 401 I HN -0.033 nan 8.210 nan 0.000 0.413 402 A N 0.752 123.652 122.820 0.133 0.000 1.933 402 A HA -0.253 4.123 4.320 0.094 0.000 0.218 402 A C 2.309 180.130 177.584 0.394 0.000 1.175 402 A CA 1.815 53.996 52.037 0.241 0.000 0.628 402 A CB -0.528 18.555 19.000 0.140 0.000 0.814 402 A HN 0.307 nan 8.150 nan 0.000 0.444 403 R N -1.295 119.380 120.500 0.291 0.000 2.120 403 R HA -0.117 4.279 4.340 0.094 0.000 0.234 403 R C 0.451 176.555 176.300 -0.327 0.000 1.123 403 R CA 1.579 57.511 56.100 -0.280 0.000 0.975 403 R CB -0.563 29.485 30.300 -0.421 0.000 0.866 403 R HN 0.579 nan 8.270 nan 0.000 0.446 404 Y N -0.487 119.842 120.300 0.048 0.000 2.681 404 Y HA 0.274 4.880 4.550 0.093 0.000 0.267 404 Y C 1.164 176.945 175.900 -0.198 0.000 1.166 404 Y CA -0.444 57.497 58.100 -0.264 0.000 1.209 404 Y CB 0.229 38.635 38.460 -0.089 0.000 1.161 404 Y HN -0.045 nan 8.280 nan 0.000 0.534 405 L N -0.164 121.159 121.223 0.167 0.000 2.129 405 L HA -0.309 4.087 4.340 0.094 0.000 0.212 405 L C 2.328 179.336 176.870 0.230 0.000 1.087 405 L CA 1.867 56.870 54.840 0.270 0.000 0.757 405 L CB -0.416 41.800 42.059 0.261 0.000 0.896 405 L HN 0.561 nan 8.230 nan 0.000 0.434 406 Y N -1.124 119.342 120.300 0.276 0.000 2.483 406 Y HA -0.173 4.434 4.550 0.094 0.000 0.291 406 Y C 2.462 178.469 175.900 0.178 0.000 1.143 406 Y CA 1.127 59.359 58.100 0.219 0.000 1.289 406 Y CB -1.628 36.938 38.460 0.176 0.000 0.983 406 Y HN 0.193 nan 8.280 nan 0.000 0.556 407 T N -3.566 110.846 114.554 -0.236 0.000 3.065 407 T HA 0.160 4.566 4.350 0.094 0.000 0.252 407 T C -0.055 174.526 174.700 -0.197 0.000 1.099 407 T CA -0.351 61.642 62.100 -0.178 0.000 1.063 407 T CB -0.749 67.893 68.868 -0.377 0.000 0.948 407 T HN 0.114 nan 8.240 nan 0.000 0.506 408 F N 2.157 122.106 119.950 -0.003 0.000 2.404 408 F HA 0.636 5.221 4.527 0.097 0.000 0.345 408 F C 1.088 176.904 175.800 0.025 0.000 1.110 408 F CA -1.060 56.950 58.000 0.017 0.000 1.130 408 F CB 0.898 39.910 39.000 0.021 0.000 1.129 408 F HN 0.033 nan 8.300 nan 0.000 0.500 409 R N 2.462 123.070 120.500 0.180 0.000 2.396 409 R HA 0.804 5.201 4.340 0.094 0.000 0.292 409 R C -0.839 175.530 176.300 0.115 0.000 1.240 409 R CA -0.252 55.916 56.100 0.113 0.000 1.270 409 R CB 0.396 30.735 30.300 0.066 0.000 1.108 409 R HN 0.865 nan 8.270 nan 0.000 0.573 410 A N 0.612 123.499 122.820 0.112 0.000 2.350 410 A HA 0.636 5.012 4.320 0.094 0.000 0.318 410 A C 1.163 178.775 177.584 0.047 0.000 1.132 410 A CA -0.610 51.478 52.037 0.084 0.000 0.811 410 A CB 1.061 20.111 19.000 0.083 0.000 1.313 410 A HN 0.743 nan 8.150 nan 0.000 0.454 411 R N -0.444 120.079 120.500 0.039 0.000 2.105 411 R HA -0.092 4.304 4.340 0.094 0.000 0.239 411 R C 0.481 176.786 176.300 0.008 0.000 1.135 411 R CA 2.126 58.239 56.100 0.023 0.000 0.967 411 R CB 0.043 30.360 30.300 0.027 0.000 0.861 411 R HN 0.779 nan 8.270 nan 0.000 0.442 412 Q N -0.965 118.839 119.800 0.007 0.000 2.594 412 Q HA 0.253 4.650 4.340 0.094 0.000 0.278 412 Q C -2.133 173.852 176.000 -0.024 0.000 0.961 412 Q CA -0.730 55.063 55.803 -0.016 0.000 0.844 412 Q CB 2.218 30.940 28.738 -0.027 0.000 1.475 412 Q HN 0.030 nan 8.270 nan 0.000 0.389 413 V N 3.516 123.402 119.914 -0.047 0.000 2.483 413 V HA 0.477 4.653 4.120 0.094 0.000 0.297 413 V C -0.356 175.677 176.094 -0.102 0.000 1.027 413 V CA -0.484 61.776 62.300 -0.068 0.000 0.855 413 V CB 1.674 33.455 31.823 -0.071 0.000 0.995 413 V HN 0.804 nan 8.190 nan 0.000 0.424 414 M N 5.571 125.095 119.600 -0.125 0.000 2.055 414 M HA 0.499 5.035 4.480 0.094 0.000 0.347 414 M C 0.387 176.617 176.300 -0.118 0.000 1.123 414 M CA 0.108 55.248 55.300 -0.267 0.000 1.035 414 M CB 1.266 33.597 32.600 -0.447 0.000 1.484 414 M HN 0.775 nan 8.290 nan 0.000 0.428 415 I N 0.201 120.723 120.570 -0.079 0.000 4.738 415 I HA 0.121 4.347 4.170 0.094 0.000 0.315 415 I C 0.752 176.976 176.117 0.180 0.000 1.214 415 I CA 0.259 61.595 61.300 0.061 0.000 1.337 415 I CB 0.878 38.822 38.000 -0.094 0.000 1.433 415 I HN 0.545 nan 8.210 nan 0.000 0.472 416 S N 2.466 118.230 115.700 0.106 0.000 2.593 416 S HA -0.050 4.476 4.470 0.094 0.000 0.300 416 S C 0.082 174.794 174.600 0.187 0.000 1.267 416 S CA 0.591 58.878 58.200 0.145 0.000 1.065 416 S CB -0.274 62.988 63.200 0.104 0.000 0.807 416 S HN 0.512 nan 8.310 nan 0.000 0.499 417 N N 3.130 121.919 118.700 0.147 0.000 2.824 417 N HA 0.212 5.008 4.740 0.094 0.000 0.224 417 N C 0.694 176.206 175.510 0.003 0.000 1.418 417 N CA 0.222 53.349 53.050 0.128 0.000 0.743 417 N CB 0.161 38.729 38.487 0.134 0.000 1.395 417 N HN 0.624 nan 8.380 nan 0.000 0.548 418 G N 0.516 109.329 108.800 0.023 0.000 2.450 418 G HA2 -0.245 3.772 3.960 0.094 0.000 0.220 418 G HA3 -0.245 3.772 3.960 0.094 0.000 0.220 418 G C 0.992 175.872 174.900 -0.034 0.000 1.130 418 G CA 0.755 45.849 45.100 -0.010 0.000 0.760 418 G HN 0.432 nan 8.290 nan 0.000 0.557 419 Q N -0.323 119.467 119.800 -0.017 0.000 2.435 419 Q HA 0.027 4.423 4.340 0.094 0.000 0.207 419 Q C 0.810 176.767 176.000 -0.071 0.000 0.956 419 Q CA 0.340 56.124 55.803 -0.032 0.000 0.917 419 Q CB 0.059 28.796 28.738 -0.002 0.000 0.997 419 Q HN 0.674 nan 8.270 nan 0.000 0.497 420 Q N 0.383 120.122 119.800 -0.101 0.000 2.468 420 Q HA -0.125 4.271 4.340 0.094 0.000 0.289 420 Q C -0.857 175.054 176.000 -0.149 0.000 1.299 420 Q CA 0.496 56.199 55.803 -0.167 0.000 0.838 420 Q CB -2.047 26.577 28.738 -0.190 0.000 1.195 420 Q HN 0.216 nan 8.270 nan 0.000 0.456 421 T N 1.509 115.988 114.554 -0.126 0.000 2.779 421 T HA 0.367 4.774 4.350 0.094 0.000 0.296 421 T C 0.665 175.236 174.700 -0.215 0.000 0.938 421 T CA -0.272 61.747 62.100 -0.136 0.000 1.119 421 T CB 0.346 69.159 68.868 -0.091 0.000 0.891 421 T HN 0.299 nan 8.240 nan 0.000 0.526 422 M N 1.497 120.996 119.600 -0.168 0.000 2.247 422 M HA 0.609 5.145 4.480 0.094 0.000 0.326 422 M C 1.125 177.295 176.300 -0.217 0.000 1.134 422 M CA 0.053 55.262 55.300 -0.151 0.000 1.136 422 M CB 0.454 33.011 32.600 -0.073 0.000 1.454 422 M HN 0.737 nan 8.290 nan 0.000 0.467 423 G N 0.908 109.574 108.800 -0.222 0.000 2.195 423 G HA2 -0.273 3.744 3.960 0.094 0.000 0.246 423 G HA3 -0.273 3.744 3.960 0.094 0.000 0.246 423 G C 0.461 175.027 174.900 -0.557 0.000 0.984 423 G CA 0.665 45.603 45.100 -0.270 0.000 0.633 423 G HN 1.283 nan 8.290 nan 0.000 0.525 424 V N -1.417 117.940 119.914 -0.928 0.000 2.515 424 V HA 0.328 4.505 4.120 0.094 0.000 0.250 424 V C 2.897 178.317 176.094 -1.124 0.000 1.058 424 V CA 2.072 63.407 62.300 -1.608 0.000 1.064 424 V CB -1.200 29.247 31.823 -2.294 0.000 0.675 424 V HN 1.424 nan 8.190 nan 0.000 0.461 425 A N 1.189 123.702 122.820 -0.512 0.000 1.851 425 A HA -0.189 4.187 4.320 0.094 0.000 0.216 425 A C 2.210 179.840 177.584 0.076 0.000 1.195 425 A CA 2.405 54.401 52.037 -0.069 0.000 0.622 425 A CB -0.875 18.164 19.000 0.065 0.000 0.831 425 A HN 0.602 nan 8.150 nan 0.000 0.444 426 L N 0.497 121.767 121.223 0.079 0.000 2.017 426 L HA -0.044 4.353 4.340 0.094 0.000 0.208 426 L C -0.735 176.171 176.870 0.061 0.000 1.073 426 L CA 2.450 57.347 54.840 0.094 0.000 0.745 426 L CB -1.335 40.674 42.059 -0.083 0.000 0.894 426 L HN 0.164 nan 8.230 nan 0.000 0.432 427 P HA -0.157 nan 4.420 nan 0.000 0.216 427 P C 1.221 178.623 177.300 0.170 0.000 1.153 427 P CA 1.439 64.577 63.100 0.062 0.000 0.848 427 P CB -0.309 31.451 31.700 0.100 0.000 0.787 428 W N 0.142 121.451 121.300 0.015 0.000 2.342 428 W HA -0.023 4.703 4.660 0.110 0.000 0.297 428 W C 2.544 179.095 176.519 0.054 0.000 1.213 428 W CA 1.097 58.453 57.345 0.018 0.000 1.251 428 W CB -1.710 27.743 29.460 -0.012 0.000 1.136 428 W HN -0.045 nan 8.180 nan 0.000 0.526 429 A N 0.127 123.131 122.820 0.308 0.000 1.877 429 A HA -0.171 4.206 4.320 0.094 0.000 0.216 429 A C 2.057 179.791 177.584 0.250 0.000 1.186 429 A CA 1.878 54.058 52.037 0.239 0.000 0.620 429 A CB -0.994 18.125 19.000 0.198 0.000 0.822 429 A HN 0.200 nan 8.150 nan 0.000 0.443 430 I N -0.270 120.431 120.570 0.218 0.000 2.226 430 I HA -0.216 4.010 4.170 0.094 0.000 0.245 430 I C 2.707 179.029 176.117 0.342 0.000 1.100 430 I CA 1.164 62.620 61.300 0.260 0.000 1.374 430 I CB -0.659 37.452 38.000 0.185 0.000 1.057 430 I HN 0.407 nan 8.210 nan 0.000 0.413 431 G N 0.462 109.401 108.800 0.231 0.000 2.418 431 G HA2 -0.242 3.774 3.960 0.094 0.000 0.217 431 G HA3 -0.242 3.774 3.960 0.094 0.000 0.217 431 G C 1.862 176.904 174.900 0.237 0.000 1.158 431 G CA 0.854 46.076 45.100 0.204 0.000 0.771 431 G HN 0.495 nan 8.290 nan 0.000 0.545 432 A N -0.017 122.932 122.820 0.214 0.000 1.902 432 A HA -0.054 4.322 4.320 0.094 0.000 0.217 432 A C 2.157 179.860 177.584 0.198 0.000 1.181 432 A CA 1.629 53.766 52.037 0.167 0.000 0.623 432 A CB -0.801 18.283 19.000 0.140 0.000 0.818 432 A HN 0.572 nan 8.150 nan 0.000 0.443 433 W N 0.719 122.079 121.300 0.100 0.000 2.338 433 W HA -0.176 4.539 4.660 0.091 0.000 0.304 433 W C 1.672 178.251 176.519 0.100 0.000 1.212 433 W CA 1.894 59.294 57.345 0.093 0.000 1.264 433 W CB -0.378 29.140 29.460 0.097 0.000 1.142 433 W HN 0.252 nan 8.180 nan 0.000 0.512 434 L N -0.094 121.211 121.223 0.135 0.000 2.127 434 L HA -0.257 4.139 4.340 0.094 0.000 0.211 434 L C 2.171 178.945 176.870 -0.159 0.000 1.089 434 L CA 1.155 55.946 54.840 -0.081 0.000 0.757 434 L CB -0.945 41.258 42.059 0.240 0.000 0.899 434 L HN -0.101 nan 8.230 nan 0.000 0.434 435 V N -1.088 118.792 119.914 -0.057 0.000 2.548 435 V HA -0.112 4.065 4.120 0.094 0.000 0.249 435 V C 0.621 176.640 176.094 -0.125 0.000 1.055 435 V CA 1.186 63.453 62.300 -0.055 0.000 1.065 435 V CB -0.325 31.502 31.823 0.007 0.000 0.681 435 V HN 0.480 nan 8.190 nan 0.000 0.462 436 N N 0.282 118.868 118.700 -0.189 0.000 2.726 436 N HA 0.199 4.995 4.740 0.094 0.000 0.253 436 N C -2.252 173.033 175.510 -0.375 0.000 1.530 436 N CA -0.772 52.159 53.050 -0.197 0.000 0.772 436 N CB 1.578 40.016 38.487 -0.083 0.000 1.220 436 N HN 0.246 nan 8.380 nan 0.000 0.508 437 P HA -0.139 nan 4.420 nan 0.000 0.228 437 P C 0.914 178.051 177.300 -0.272 0.000 1.151 437 P CA 1.175 63.628 63.100 -1.078 0.000 0.770 437 P CB 0.450 31.510 31.700 -1.066 0.000 0.786 438 E N 0.197 120.321 120.200 -0.126 0.000 2.478 438 E HA -0.010 4.396 4.350 0.094 0.000 0.194 438 E C 0.599 177.251 176.600 0.085 0.000 1.045 438 E CA 0.252 56.665 56.400 0.021 0.000 0.868 438 E CB -0.153 29.544 29.700 -0.004 0.000 0.885 438 E HN 0.284 nan 8.360 nan 0.000 0.505 439 R N 0.488 121.044 120.500 0.094 0.000 2.720 439 R HA 0.440 4.836 4.340 0.094 0.000 0.272 439 R C -0.351 176.104 176.300 0.259 0.000 0.991 439 R CA -0.951 55.233 56.100 0.139 0.000 1.010 439 R CB 1.242 31.595 30.300 0.089 0.000 1.141 439 R HN -0.143 nan 8.270 nan 0.000 0.494 440 K N 0.668 121.183 120.400 0.192 0.000 2.144 440 K HA 0.351 4.727 4.320 0.094 0.000 0.270 440 K C -1.184 175.522 176.600 0.178 0.000 1.005 440 K CA -0.331 56.068 56.287 0.186 0.000 0.932 440 K CB 1.338 33.905 32.500 0.113 0.000 1.021 440 K HN 0.291 nan 8.250 nan 0.000 0.462 441 V N 3.852 123.865 119.914 0.166 0.000 2.656 441 V HA 0.457 4.633 4.120 0.094 0.000 0.307 441 V C -1.014 175.135 176.094 0.092 0.000 1.051 441 V CA -1.024 61.363 62.300 0.144 0.000 0.893 441 V CB 1.961 33.902 31.823 0.196 0.000 0.999 441 V HN 0.569 nan 8.190 nan 0.000 0.426 442 V N 3.795 123.753 119.914 0.072 0.000 2.448 442 V HA 0.641 4.817 4.120 0.094 0.000 0.295 442 V C 0.085 176.193 176.094 0.022 0.000 1.025 442 V CA -0.328 61.995 62.300 0.038 0.000 0.859 442 V CB 2.066 33.908 31.823 0.032 0.000 0.988 442 V HN 1.024 nan 8.190 nan 0.000 0.431 443 S N 4.046 119.737 115.700 -0.014 0.000 2.503 443 S HA 0.850 5.376 4.470 0.094 0.000 0.301 443 S C -0.855 173.537 174.600 -0.347 0.000 1.087 443 S CA -0.808 57.360 58.200 -0.054 0.000 1.042 443 S CB 2.073 65.356 63.200 0.138 0.000 1.043 443 S HN 0.729 nan 8.310 nan 0.000 0.489 444 V N 2.083 121.808 119.914 -0.315 0.000 2.760 444 V HA 0.889 5.066 4.120 0.094 0.000 0.309 444 V C -0.579 175.198 176.094 -0.528 0.000 1.077 444 V CA 0.239 62.262 62.300 -0.462 0.000 0.910 444 V CB 1.734 33.417 31.823 -0.233 0.000 1.008 444 V HN 1.481 nan 8.190 nan 0.000 0.424 445 S N 4.306 119.563 115.700 -0.740 0.000 2.705 445 S HA 0.906 5.433 4.470 0.094 0.000 0.280 445 S C -0.073 173.883 174.600 -1.073 0.000 1.174 445 S CA -0.206 57.487 58.200 -0.844 0.000 0.823 445 S CB 1.375 64.546 63.200 -0.047 0.000 1.162 445 S HN 1.461 nan 8.310 nan 0.000 0.487 446 G N -0.271 108.150 108.800 -0.632 0.000 2.557 446 G HA2 0.470 4.486 3.960 0.094 0.000 0.302 446 G HA3 0.470 4.486 3.960 0.094 0.000 0.302 446 G C -0.082 174.855 174.900 0.061 0.000 1.311 446 G CA -0.228 44.817 45.100 -0.092 0.000 1.030 446 G HN 0.776 nan 8.290 nan 0.000 0.509 447 D N -0.997 119.502 120.400 0.164 0.000 2.224 447 D HA -0.007 4.689 4.640 0.094 0.000 0.205 447 D C 2.143 178.641 176.300 0.331 0.000 0.965 447 D CA 1.106 55.222 54.000 0.194 0.000 0.852 447 D CB -0.548 40.468 40.800 0.360 0.000 0.947 447 D HN 0.460 nan 8.370 nan 0.000 0.494 448 G N 0.577 109.650 108.800 0.456 0.000 2.404 448 G HA2 -0.113 3.903 3.960 0.094 0.000 0.215 448 G HA3 -0.113 3.903 3.960 0.094 0.000 0.215 448 G C 1.704 176.780 174.900 0.294 0.000 1.174 448 G CA 0.721 46.121 45.100 0.499 0.000 0.780 448 G HN 0.442 nan 8.290 nan 0.000 0.537 449 G N 0.243 109.193 108.800 0.249 0.000 2.408 449 G HA2 -0.133 3.884 3.960 0.094 0.000 0.217 449 G HA3 -0.133 3.884 3.960 0.094 0.000 0.217 449 G C 1.593 176.535 174.900 0.070 0.000 1.150 449 G CA 0.831 46.003 45.100 0.120 0.000 0.776 449 G HN 0.327 nan 8.290 nan 0.000 0.542 450 F N 1.329 121.261 119.950 -0.029 0.000 2.065 450 F HA -0.046 4.544 4.527 0.106 0.000 0.298 450 F C 2.288 178.033 175.800 -0.093 0.000 1.112 450 F CA 1.292 59.227 58.000 -0.109 0.000 1.212 450 F CB -0.241 38.655 39.000 -0.174 0.000 0.975 450 F HN 0.022 nan 8.300 nan 0.000 0.476 451 L N -0.061 121.084 121.223 -0.129 0.000 2.362 451 L HA -0.161 4.235 4.340 0.094 0.000 0.219 451 L C 2.189 178.955 176.870 -0.173 0.000 1.134 451 L CA 0.926 55.639 54.840 -0.211 0.000 0.807 451 L CB -0.648 41.370 42.059 -0.069 0.000 0.927 451 L HN 0.354 nan 8.230 nan 0.000 0.447 452 Q N -0.730 118.990 119.800 -0.134 0.000 2.311 452 Q HA -0.075 4.321 4.340 0.094 0.000 0.203 452 Q C 1.657 177.558 176.000 -0.165 0.000 0.954 452 Q CA 1.500 57.228 55.803 -0.125 0.000 0.885 452 Q CB 0.297 28.983 28.738 -0.087 0.000 0.963 452 Q HN 0.530 nan 8.270 nan 0.000 0.471 453 S N -1.729 113.842 115.700 -0.214 0.000 2.847 453 S HA 0.050 4.577 4.470 0.094 0.000 0.254 453 S C 1.440 175.871 174.600 -0.282 0.000 1.039 453 S CA 0.136 58.222 58.200 -0.190 0.000 1.113 453 S CB 0.347 63.468 63.200 -0.132 0.000 1.092 453 S HN 0.208 nan 8.310 nan 0.000 0.620 454 S N 3.015 118.431 115.700 -0.473 0.000 2.500 454 S HA -0.125 4.402 4.470 0.094 0.000 0.239 454 S C 2.147 176.568 174.600 -0.297 0.000 0.989 454 S CA 0.833 58.652 58.200 -0.636 0.000 0.951 454 S CB -0.845 61.693 63.200 -1.105 0.000 0.759 454 S HN 0.703 nan 8.310 nan 0.000 0.523 455 M N 0.616 120.162 119.600 -0.090 0.000 2.358 455 M HA 0.065 4.601 4.480 0.094 0.000 0.264 455 M C 0.890 177.206 176.300 0.027 0.000 1.064 455 M CA 1.436 56.785 55.300 0.081 0.000 1.093 455 M CB -1.188 31.478 32.600 0.110 0.000 1.401 455 M HN 0.102 nan 8.290 nan 0.000 0.440 456 E N 1.381 121.539 120.200 -0.071 0.000 2.511 456 E HA 0.137 4.543 4.350 0.094 0.000 0.196 456 E C 2.201 178.725 176.600 -0.127 0.000 1.066 456 E CA 0.283 56.657 56.400 -0.044 0.000 0.871 456 E CB -0.465 29.221 29.700 -0.023 0.000 0.863 456 E HN 0.618 nan 8.360 nan 0.000 0.520 457 L N 0.835 121.853 121.223 -0.342 0.000 2.131 457 L HA -0.159 4.238 4.340 0.094 0.000 0.210 457 L C 2.551 179.268 176.870 -0.254 0.000 1.092 457 L CA 1.062 55.607 54.840 -0.492 0.000 0.759 457 L CB -0.156 41.214 42.059 -1.148 0.000 0.903 457 L HN 0.099 nan 8.230 nan 0.000 0.435 458 E N -0.039 120.154 120.200 -0.012 0.000 2.072 458 E HA -0.182 4.224 4.350 0.094 0.000 0.191 458 E C 1.946 178.612 176.600 0.110 0.000 0.985 458 E CA 1.837 58.383 56.400 0.245 0.000 0.801 458 E CB 0.033 29.934 29.700 0.335 0.000 0.750 458 E HN 0.381 nan 8.360 nan 0.000 0.452 459 T N 1.078 115.681 114.554 0.082 0.000 2.759 459 T HA -0.117 4.289 4.350 0.094 0.000 0.269 459 T C 1.879 176.617 174.700 0.062 0.000 1.042 459 T CA 1.626 63.781 62.100 0.090 0.000 1.140 459 T CB -0.310 68.626 68.868 0.112 0.000 0.864 459 T HN 0.326 nan 8.240 nan 0.000 0.455 460 A N 0.884 123.707 122.820 0.006 0.000 1.902 460 A HA -0.036 4.341 4.320 0.094 0.000 0.217 460 A C 2.599 180.146 177.584 -0.061 0.000 1.181 460 A CA 1.307 53.313 52.037 -0.052 0.000 0.623 460 A CB -0.993 17.952 19.000 -0.091 0.000 0.818 460 A HN 0.352 nan 8.150 nan 0.000 0.443 461 V N 0.154 120.059 119.914 -0.015 0.000 2.295 461 V HA -0.256 3.920 4.120 0.094 0.000 0.246 461 V C 2.678 178.786 176.094 0.024 0.000 1.049 461 V CA 2.334 64.640 62.300 0.009 0.000 1.024 461 V CB -0.803 31.058 31.823 0.064 0.000 0.648 461 V HN 0.730 nan 8.190 nan 0.000 0.447 462 R N -0.033 120.497 120.500 0.050 0.000 2.096 462 R HA -0.114 4.282 4.340 0.094 0.000 0.235 462 R C 2.015 178.359 176.300 0.073 0.000 1.127 462 R CA 1.667 57.806 56.100 0.064 0.000 0.968 462 R CB -0.232 30.116 30.300 0.080 0.000 0.861 462 R HN 0.473 nan 8.270 nan 0.000 0.440 463 L N 0.505 121.771 121.223 0.071 0.000 2.509 463 L HA 0.131 4.528 4.340 0.094 0.000 0.222 463 L C 0.332 177.235 176.870 0.054 0.000 1.123 463 L CA 0.326 55.239 54.840 0.122 0.000 0.856 463 L CB 0.035 42.209 42.059 0.193 0.000 0.985 463 L HN 0.180 nan 8.230 nan 0.000 0.456 464 K N -0.363 120.006 120.400 -0.052 0.000 3.117 464 K HA -0.178 4.198 4.320 0.094 0.000 0.269 464 K C 0.357 176.698 176.600 -0.431 0.000 1.098 464 K CA 0.336 56.557 56.287 -0.109 0.000 0.785 464 K CB -1.876 30.641 32.500 0.028 0.000 1.242 464 K HN 0.334 nan 8.250 nan 0.000 0.491 465 A N 1.418 123.788 122.820 -0.749 0.000 2.520 465 A HA 0.094 4.471 4.320 0.094 0.000 0.245 465 A C 0.636 177.540 177.584 -1.132 0.000 1.072 465 A CA 0.034 51.053 52.037 -1.698 0.000 0.761 465 A CB 0.185 18.607 19.000 -0.964 0.000 1.004 465 A HN 0.350 nan 8.150 nan 0.000 0.499 466 N N 2.312 120.164 118.700 -1.412 0.000 3.245 466 N HA 0.270 5.066 4.740 0.094 0.000 0.296 466 N C -1.042 174.297 175.510 -0.285 0.000 1.254 466 N CA 0.128 52.904 53.050 -0.457 0.000 1.190 466 N CB -0.249 38.239 38.487 0.003 0.000 1.460 466 N HN 0.282 nan 8.380 nan 0.000 0.538 467 V N 2.381 122.141 119.914 -0.257 0.000 2.417 467 V HA 0.377 4.553 4.120 0.094 0.000 0.291 467 V C -0.305 175.786 176.094 -0.006 0.000 1.024 467 V CA -1.050 61.202 62.300 -0.081 0.000 0.861 467 V CB 1.654 33.441 31.823 -0.061 0.000 0.985 467 V HN 0.242 nan 8.190 nan 0.000 0.436 468 L N 5.182 126.423 121.223 0.031 0.000 2.276 468 L HA 0.569 4.965 4.340 0.094 0.000 0.286 468 L C -0.538 176.366 176.870 0.057 0.000 1.024 468 L CA -0.076 54.789 54.840 0.042 0.000 0.826 468 L CB 0.784 42.849 42.059 0.008 0.000 1.211 468 L HN 0.745 nan 8.230 nan 0.000 0.422 469 H N 4.715 123.789 119.070 0.007 0.000 2.488 469 H HA 0.613 5.226 4.556 0.095 0.000 0.322 469 H C -1.193 174.103 175.328 -0.053 0.000 1.078 469 H CA -0.355 55.691 56.048 -0.004 0.000 1.260 469 H CB 0.920 30.704 29.762 0.037 0.000 1.425 469 H HN 0.686 nan 8.280 nan 0.000 0.471 470 L N 6.852 127.813 121.223 -0.437 0.000 2.307 470 L HA 0.414 4.811 4.340 0.094 0.000 0.284 470 L C -0.496 176.184 176.870 -0.316 0.000 1.023 470 L CA -0.677 54.012 54.840 -0.252 0.000 0.810 470 L CB 1.635 43.624 42.059 -0.117 0.000 1.231 470 L HN 0.588 nan 8.230 nan 0.000 0.423 471 I N 1.299 121.727 120.570 -0.236 0.000 2.355 471 I HA 0.221 4.448 4.170 0.094 0.000 0.288 471 I C -1.030 175.014 176.117 -0.123 0.000 0.999 471 I CA -0.397 60.721 61.300 -0.303 0.000 1.163 471 I CB 1.323 38.902 38.000 -0.701 0.000 1.316 471 I HN 0.492 nan 8.210 nan 0.000 0.454 472 W N 6.421 127.495 121.300 -0.378 0.000 2.387 472 W HA 0.379 5.096 4.660 0.096 0.000 0.310 472 W C -0.306 176.079 176.519 -0.222 0.000 1.181 472 W CA -0.562 56.623 57.345 -0.266 0.000 1.333 472 W CB 0.695 30.064 29.460 -0.152 0.000 1.286 472 W HN 0.084 nan 8.180 nan 0.000 0.455 473 V N 5.613 125.487 119.914 -0.066 0.000 2.383 473 V HA 0.182 4.359 4.120 0.094 0.000 0.275 473 V C 0.549 176.595 176.094 -0.079 0.000 1.036 473 V CA -0.357 61.928 62.300 -0.025 0.000 0.889 473 V CB 1.494 33.335 31.823 0.031 0.000 0.985 473 V HN 0.624 nan 8.190 nan 0.000 0.459 474 D N 2.848 123.246 120.400 -0.003 0.000 2.516 474 D HA -0.003 4.693 4.640 0.094 0.000 0.241 474 D C 0.317 176.575 176.300 -0.070 0.000 1.246 474 D CA -0.251 53.718 54.000 -0.052 0.000 0.808 474 D CB 0.077 40.912 40.800 0.059 0.000 1.147 474 D HN 0.467 nan 8.370 nan 0.000 0.527 475 N N 0.508 119.181 118.700 -0.044 0.000 2.740 475 N HA -0.095 4.701 4.740 0.094 0.000 0.248 475 N C 0.207 175.175 175.510 -0.904 0.000 1.062 475 N CA 1.527 54.454 53.050 -0.206 0.000 0.704 475 N CB -1.349 37.081 38.487 -0.095 0.000 0.968 475 N HN 0.699 nan 8.380 nan 0.000 0.547 476 G N -1.535 106.651 108.800 -1.022 0.000 2.495 476 G HA2 0.467 4.483 3.960 0.094 0.000 0.294 476 G HA3 0.467 4.483 3.960 0.094 0.000 0.294 476 G C -1.568 173.082 174.900 -0.418 0.000 1.397 476 G CA -0.915 43.472 45.100 -1.189 0.000 0.790 476 G HN 0.106 nan 8.290 nan 0.000 0.486 477 Y N 2.169 122.425 120.300 -0.073 0.000 2.907 477 Y HA 0.218 4.825 4.550 0.096 0.000 0.332 477 Y C 1.859 177.787 175.900 0.047 0.000 1.211 477 Y CA -0.681 57.490 58.100 0.119 0.000 1.387 477 Y CB 0.669 39.224 38.460 0.158 0.000 1.396 477 Y HN 0.630 nan 8.280 nan 0.000 0.519 478 N N 2.086 120.901 118.700 0.192 0.000 2.069 478 N HA -0.240 4.556 4.740 0.094 0.000 0.191 478 N C 1.948 177.445 175.510 -0.021 0.000 1.031 478 N CA 1.475 54.565 53.050 0.066 0.000 0.852 478 N CB 0.078 38.567 38.487 0.003 0.000 1.018 478 N HN 0.669 nan 8.380 nan 0.000 0.423 479 M N 0.574 120.154 119.600 -0.034 0.000 2.195 479 M HA -0.149 4.388 4.480 0.094 0.000 0.260 479 M C 1.770 178.033 176.300 -0.062 0.000 1.066 479 M CA 1.283 56.523 55.300 -0.100 0.000 1.089 479 M CB 0.181 32.696 32.600 -0.141 0.000 1.377 479 M HN -0.009 nan 8.290 nan 0.000 0.411 480 V N -0.130 119.783 119.914 -0.000 0.000 2.488 480 V HA -0.110 4.066 4.120 0.094 0.000 0.246 480 V C 2.533 178.644 176.094 0.030 0.000 1.046 480 V CA 1.459 63.766 62.300 0.010 0.000 1.053 480 V CB -1.163 30.683 31.823 0.040 0.000 0.679 480 V HN 0.591 nan 8.190 nan 0.000 0.458 481 A N 1.420 124.268 122.820 0.048 0.000 1.877 481 A HA -0.204 4.172 4.320 0.094 0.000 0.216 481 A C 2.159 179.748 177.584 0.009 0.000 1.186 481 A CA 2.116 54.179 52.037 0.042 0.000 0.620 481 A CB -0.648 18.378 19.000 0.042 0.000 0.822 481 A HN 0.674 nan 8.150 nan 0.000 0.443 482 I N -2.837 117.720 120.570 -0.023 0.000 2.567 482 I HA -0.268 3.958 4.170 0.094 0.000 0.257 482 I C 2.047 178.130 176.117 -0.058 0.000 1.184 482 I CA 1.917 63.193 61.300 -0.041 0.000 1.451 482 I CB -0.574 37.385 38.000 -0.068 0.000 1.089 482 I HN 0.360 nan 8.210 nan 0.000 0.441 483 Q N 1.245 121.009 119.800 -0.061 0.000 2.163 483 Q HA -0.085 4.312 4.340 0.094 0.000 0.198 483 Q C 2.042 177.970 176.000 -0.120 0.000 0.954 483 Q CA 1.234 56.984 55.803 -0.088 0.000 0.851 483 Q CB 0.001 28.693 28.738 -0.076 0.000 0.928 483 Q HN 0.649 nan 8.270 nan 0.000 0.459 484 E N 0.835 121.010 120.200 -0.041 0.000 2.072 484 E HA -0.217 4.190 4.350 0.094 0.000 0.191 484 E C 1.856 178.425 176.600 -0.052 0.000 0.985 484 E CA 1.007 57.415 56.400 0.014 0.000 0.801 484 E CB 0.068 29.870 29.700 0.171 0.000 0.750 484 E HN 0.190 nan 8.360 nan 0.000 0.452 485 E N 2.047 122.234 120.200 -0.022 0.000 2.038 485 E HA -0.265 4.142 4.350 0.094 0.000 0.195 485 E C 1.906 178.463 176.600 -0.072 0.000 1.000 485 E CA 1.855 58.244 56.400 -0.018 0.000 0.803 485 E CB -0.139 29.558 29.700 -0.006 0.000 0.750 485 E HN -0.015 nan 8.360 nan 0.000 0.448 486 K N 0.424 120.761 120.400 -0.105 0.000 2.103 486 K HA -0.137 4.239 4.320 0.094 0.000 0.207 486 K C 1.841 178.326 176.600 -0.192 0.000 1.048 486 K CA 1.919 58.133 56.287 -0.121 0.000 0.930 486 K CB -0.033 32.400 32.500 -0.113 0.000 0.716 486 K HN 0.140 nan 8.250 nan 0.000 0.444 487 K N -1.658 118.520 120.400 -0.371 0.000 2.202 487 K HA 0.027 4.403 4.320 0.094 0.000 0.201 487 K C 1.226 177.474 176.600 -0.587 0.000 1.051 487 K CA 1.061 56.987 56.287 -0.602 0.000 0.977 487 K CB 0.208 32.091 32.500 -1.027 0.000 0.792 487 K HN 0.232 nan 8.250 nan 0.000 0.469 488 Y N 0.324 120.625 120.300 0.001 0.000 2.453 488 Y HA 0.195 4.800 4.550 0.092 0.000 0.247 488 Y C -0.129 175.774 175.900 0.005 0.000 1.124 488 Y CA -0.654 57.448 58.100 0.003 0.000 1.243 488 Y CB 0.536 38.998 38.460 0.004 0.000 1.213 488 Y HN -0.062 nan 8.280 nan 0.000 0.523 489 Q N 1.206 121.046 119.800 0.068 0.000 2.480 489 Q HA -0.241 4.155 4.340 0.094 0.000 0.265 489 Q C -0.391 175.655 176.000 0.076 0.000 1.072 489 Q CA 1.135 56.970 55.803 0.053 0.000 1.018 489 Q CB -1.637 27.126 28.738 0.042 0.000 1.433 489 Q HN 0.729 nan 8.270 nan 0.000 0.513 490 R N -1.478 119.090 120.500 0.114 0.000 2.663 490 R HA 0.745 5.141 4.340 0.094 0.000 0.267 490 R C -1.321 175.047 176.300 0.113 0.000 1.038 490 R CA -1.099 55.059 56.100 0.096 0.000 0.886 490 R CB 1.195 31.546 30.300 0.084 0.000 1.249 490 R HN 0.010 nan 8.270 nan 0.000 0.463 491 L N 1.309 122.578 121.223 0.077 0.000 2.344 491 L HA 0.700 5.097 4.340 0.094 0.000 0.272 491 L C -0.391 176.518 176.870 0.065 0.000 1.035 491 L CA -0.994 53.893 54.840 0.077 0.000 0.807 491 L CB 2.128 44.219 42.059 0.053 0.000 1.237 491 L HN 0.987 nan 8.230 nan 0.000 0.442 492 S N -0.837 114.907 115.700 0.074 0.000 2.626 492 S HA 0.547 5.073 4.470 0.094 0.000 0.275 492 S C 0.146 174.797 174.600 0.086 0.000 1.175 492 S CA -0.178 58.058 58.200 0.060 0.000 0.982 492 S CB 1.501 64.721 63.200 0.033 0.000 1.093 492 S HN 1.135 nan 8.310 nan 0.000 0.472 493 G N 1.333 110.189 108.800 0.092 0.000 2.203 493 G HA2 -0.256 3.760 3.960 0.094 0.000 0.263 493 G HA3 -0.256 3.760 3.960 0.094 0.000 0.263 493 G C 0.490 175.526 174.900 0.227 0.000 1.012 493 G CA 0.709 45.894 45.100 0.142 0.000 0.749 493 G HN 2.103 nan 8.290 nan 0.000 0.512 494 V N -3.687 116.324 119.914 0.162 0.000 3.380 494 V HA 0.565 4.742 4.120 0.094 0.000 0.307 494 V C 0.351 176.399 176.094 -0.077 0.000 1.434 494 V CA 0.347 62.752 62.300 0.175 0.000 1.075 494 V CB 0.186 32.098 31.823 0.148 0.000 0.954 494 V HN 0.363 nan 8.190 nan 0.000 0.444 495 E N 1.401 121.544 120.200 -0.094 0.000 2.222 495 E HA 0.734 5.140 4.350 0.094 0.000 0.267 495 E C -1.223 175.284 176.600 -0.154 0.000 0.884 495 E CA -0.660 55.588 56.400 -0.253 0.000 0.764 495 E CB 2.418 32.045 29.700 -0.121 0.000 1.169 495 E HN 0.478 nan 8.360 nan 0.000 0.413 496 F N -0.919 118.966 119.950 -0.108 0.000 2.726 496 F HA 0.755 5.342 4.527 0.099 0.000 0.324 496 F C 0.374 176.138 175.800 -0.059 0.000 1.140 496 F CA -1.373 56.571 58.000 -0.094 0.000 0.964 496 F CB 0.109 39.019 39.000 -0.150 0.000 1.399 496 F HN 0.432 nan 8.300 nan 0.000 0.491 497 G N 0.274 109.235 108.800 0.270 0.000 2.634 497 G HA2 0.544 4.560 3.960 0.094 0.000 0.255 497 G HA3 0.544 4.560 3.960 0.094 0.000 0.255 497 G C -2.702 172.292 174.900 0.157 0.000 1.205 497 G CA -1.321 43.864 45.100 0.141 0.000 0.884 497 G HN 0.642 nan 8.290 nan 0.000 0.549 498 P HA 0.443 nan 4.420 nan 0.000 0.278 498 P C -0.737 176.501 177.300 -0.102 0.000 1.266 498 P CA -0.321 62.785 63.100 0.010 0.000 0.807 498 P CB 1.513 33.209 31.700 -0.007 0.000 1.094 499 M N -0.208 119.228 119.600 -0.274 0.000 2.569 499 M HA 0.219 4.755 4.480 0.094 0.000 0.279 499 M C -0.909 175.070 176.300 -0.534 0.000 1.253 499 M CA -0.605 54.400 55.300 -0.492 0.000 0.867 499 M CB 2.496 34.570 32.600 -0.876 0.000 1.727 499 M HN 0.207 nan 8.290 nan 0.000 0.467 500 D N 1.111 121.300 120.400 -0.352 0.000 2.500 500 D HA 0.265 4.961 4.640 0.094 0.000 0.219 500 D C 0.146 176.378 176.300 -0.113 0.000 1.137 500 D CA -0.020 53.882 54.000 -0.162 0.000 0.946 500 D CB 0.071 40.843 40.800 -0.046 0.000 1.022 500 D HN 0.423 nan 8.370 nan 0.000 0.518 501 F N 1.680 121.666 119.950 0.060 0.000 2.269 501 F HA -0.094 4.488 4.527 0.090 0.000 0.301 501 F C 2.477 178.361 175.800 0.139 0.000 1.082 501 F CA 0.649 58.691 58.000 0.070 0.000 1.360 501 F CB 0.112 39.059 39.000 -0.090 0.000 1.041 501 F HN 0.287 nan 8.300 nan 0.000 0.512 502 K N 0.856 121.399 120.400 0.239 0.000 2.025 502 K HA -0.149 4.227 4.320 0.094 0.000 0.207 502 K C 2.269 178.954 176.600 0.141 0.000 1.049 502 K CA 1.277 57.658 56.287 0.157 0.000 0.933 502 K CB -0.294 32.257 32.500 0.085 0.000 0.714 502 K HN 0.183 nan 8.250 nan 0.000 0.438 503 A N 0.141 123.037 122.820 0.128 0.000 1.969 503 A HA -0.155 4.221 4.320 0.094 0.000 0.218 503 A C 2.011 179.696 177.584 0.169 0.000 1.169 503 A CA 1.119 53.218 52.037 0.102 0.000 0.635 503 A CB -0.783 18.255 19.000 0.064 0.000 0.810 503 A HN 0.580 nan 8.150 nan 0.000 0.445 504 Y N 0.710 121.090 120.300 0.134 0.000 2.097 504 Y HA -0.155 4.449 4.550 0.089 0.000 0.282 504 Y C 2.653 178.786 175.900 0.387 0.000 1.152 504 Y CA 1.605 59.849 58.100 0.239 0.000 1.136 504 Y CB -0.483 38.165 38.460 0.313 0.000 0.975 504 Y HN 0.302 nan 8.280 nan 0.000 0.498 505 A N 0.177 123.282 122.820 0.476 0.000 1.902 505 A HA -0.189 4.187 4.320 0.094 0.000 0.217 505 A C 2.034 179.772 177.584 0.257 0.000 1.181 505 A CA 1.842 54.097 52.037 0.364 0.000 0.623 505 A CB -0.709 18.458 19.000 0.279 0.000 0.818 505 A HN 0.658 nan 8.150 nan 0.000 0.443 506 E N 0.430 120.722 120.200 0.154 0.000 2.153 506 E HA -0.150 4.256 4.350 0.094 0.000 0.194 506 E C 2.176 178.809 176.600 0.055 0.000 0.988 506 E CA 1.303 57.747 56.400 0.074 0.000 0.811 506 E CB -0.245 29.467 29.700 0.020 0.000 0.746 506 E HN 0.790 nan 8.360 nan 0.000 0.466 507 S N 0.171 115.881 115.700 0.018 0.000 2.500 507 S HA -0.122 4.405 4.470 0.094 0.000 0.239 507 S C 1.507 175.993 174.600 -0.191 0.000 0.989 507 S CA 0.697 58.826 58.200 -0.119 0.000 0.951 507 S CB -0.324 62.739 63.200 -0.228 0.000 0.759 507 S HN 0.164 nan 8.310 nan 0.000 0.523 508 F N 1.549 121.437 119.950 -0.104 0.000 2.698 508 F HA 0.397 4.977 4.527 0.089 0.000 0.295 508 F C 2.049 177.822 175.800 -0.045 0.000 1.124 508 F CA 0.305 58.255 58.000 -0.082 0.000 1.426 508 F CB 0.078 39.031 39.000 -0.077 0.000 1.120 508 F HN 0.414 nan 8.300 nan 0.000 0.583 509 G N 0.278 109.158 108.800 0.134 0.000 2.144 509 G HA2 -0.049 3.967 3.960 0.094 0.000 0.218 509 G HA3 -0.049 3.967 3.960 0.094 0.000 0.218 509 G C 0.142 175.086 174.900 0.074 0.000 0.988 509 G CA -0.190 44.955 45.100 0.075 0.000 0.659 509 G HN 0.587 nan 8.290 nan 0.000 0.522 510 A N -0.205 122.676 122.820 0.101 0.000 2.269 510 A HA 0.801 5.178 4.320 0.094 0.000 0.319 510 A C 0.396 178.007 177.584 0.045 0.000 1.110 510 A CA -0.418 51.660 52.037 0.067 0.000 0.847 510 A CB 0.772 19.811 19.000 0.064 0.000 1.161 510 A HN 0.298 nan 8.150 nan 0.000 0.497 511 K N 0.259 120.681 120.400 0.037 0.000 2.205 511 K HA 0.480 4.856 4.320 0.094 0.000 0.279 511 K C 0.114 176.682 176.600 -0.052 0.000 1.027 511 K CA 0.110 56.370 56.287 -0.044 0.000 0.932 511 K CB 1.424 33.930 32.500 0.010 0.000 1.032 511 K HN 0.766 nan 8.250 nan 0.000 0.466 512 G N 2.184 110.829 108.800 -0.258 0.000 2.519 512 G HA2 0.725 4.742 3.960 0.094 0.000 0.307 512 G HA3 0.725 4.742 3.960 0.094 0.000 0.307 512 G C -1.362 173.276 174.900 -0.438 0.000 1.266 512 G CA -0.520 44.501 45.100 -0.132 0.000 0.970 512 G HN 0.365 nan 8.290 nan 0.000 0.481 513 F N -0.209 119.770 119.950 0.049 0.000 2.613 513 F HA 0.769 5.351 4.527 0.092 0.000 0.310 513 F C 0.187 176.009 175.800 0.038 0.000 1.085 513 F CA -1.118 56.901 58.000 0.032 0.000 0.945 513 F CB 2.725 41.733 39.000 0.012 0.000 1.298 513 F HN 0.698 nan 8.300 nan 0.000 0.455 514 A N 1.377 124.331 122.820 0.224 0.000 2.385 514 A HA 0.706 5.083 4.320 0.094 0.000 0.290 514 A C -1.505 176.153 177.584 0.124 0.000 1.094 514 A CA -0.718 51.411 52.037 0.153 0.000 0.729 514 A CB 0.959 20.035 19.000 0.127 0.000 1.194 514 A HN 0.537 nan 8.150 nan 0.000 0.442 515 V N 3.098 123.076 119.914 0.105 0.000 2.439 515 V HA 0.130 4.306 4.120 0.094 0.000 0.271 515 V C 0.739 176.922 176.094 0.150 0.000 1.040 515 V CA 0.509 62.860 62.300 0.086 0.000 1.002 515 V CB 0.566 32.427 31.823 0.063 0.000 1.000 515 V HN 1.024 nan 8.190 nan 0.000 0.477 516 E N 2.677 122.856 120.200 -0.037 0.000 2.498 516 E HA 0.187 4.593 4.350 0.094 0.000 0.203 516 E C 0.273 176.237 176.600 -1.061 0.000 1.013 516 E CA 0.109 56.361 56.400 -0.247 0.000 0.927 516 E CB 0.857 30.473 29.700 -0.140 0.000 1.012 516 E HN 0.779 nan 8.360 nan 0.000 0.482 517 S N -1.554 113.625 115.700 -0.868 0.000 2.552 517 S HA 0.537 5.063 4.470 0.094 0.000 0.272 517 S C 0.551 174.970 174.600 -0.300 0.000 1.150 517 S CA -0.391 57.274 58.200 -0.893 0.000 0.849 517 S CB 1.412 64.326 63.200 -0.476 0.000 1.113 517 S HN -0.034 nan 8.310 nan 0.000 0.458 518 A N 1.294 124.050 122.820 -0.107 0.000 1.902 518 A HA -0.030 4.346 4.320 0.094 0.000 0.217 518 A C 1.708 179.258 177.584 -0.057 0.000 1.181 518 A CA 2.099 54.140 52.037 0.007 0.000 0.623 518 A CB -1.234 17.783 19.000 0.028 0.000 0.818 518 A HN 0.912 nan 8.150 nan 0.000 0.443 519 E N 0.303 120.453 120.200 -0.085 0.000 2.209 519 E HA -0.033 4.373 4.350 0.094 0.000 0.196 519 E C 1.917 178.470 176.600 -0.077 0.000 0.993 519 E CA 1.224 57.578 56.400 -0.077 0.000 0.819 519 E CB -0.495 29.158 29.700 -0.078 0.000 0.745 519 E HN 0.604 nan 8.360 nan 0.000 0.477 520 A N 0.349 123.113 122.820 -0.093 0.000 2.167 520 A HA 0.032 4.408 4.320 0.094 0.000 0.214 520 A C 1.904 179.447 177.584 -0.068 0.000 1.151 520 A CA 0.269 52.260 52.037 -0.077 0.000 0.735 520 A CB -0.367 18.581 19.000 -0.086 0.000 0.802 520 A HN 0.238 nan 8.150 nan 0.000 0.467 521 L N 0.445 121.627 121.223 -0.069 0.000 1.944 521 L HA -0.194 4.202 4.340 0.094 0.000 0.218 521 L C 2.137 178.952 176.870 -0.093 0.000 1.075 521 L CA 2.763 57.555 54.840 -0.081 0.000 0.767 521 L CB -0.815 41.190 42.059 -0.090 0.000 0.890 521 L HN 0.382 nan 8.230 nan 0.000 0.434 522 E N -0.253 119.896 120.200 -0.084 0.000 2.058 522 E HA -0.176 4.230 4.350 0.094 0.000 0.194 522 E C -0.187 176.363 176.600 -0.083 0.000 0.997 522 E CA 2.051 58.402 56.400 -0.081 0.000 0.801 522 E CB -1.710 27.949 29.700 -0.069 0.000 0.746 522 E HN 0.477 nan 8.360 nan 0.000 0.450 523 P HA -0.079 nan 4.420 nan 0.000 0.217 523 P C 1.098 178.341 177.300 -0.095 0.000 1.150 523 P CA 1.492 64.552 63.100 -0.066 0.000 0.832 523 P CB 0.047 31.719 31.700 -0.047 0.000 0.787 524 T N -0.166 114.320 114.554 -0.113 0.000 2.674 524 T HA -0.089 4.318 4.350 0.094 0.000 0.265 524 T C 1.745 176.245 174.700 -0.333 0.000 1.039 524 T CA 1.069 63.053 62.100 -0.194 0.000 1.150 524 T CB -0.960 67.829 68.868 -0.132 0.000 0.864 524 T HN 0.043 nan 8.240 nan 0.000 0.427 525 L N 0.608 121.691 121.223 -0.233 0.000 2.079 525 L HA -0.133 4.264 4.340 0.094 0.000 0.210 525 L C 2.853 179.604 176.870 -0.199 0.000 1.081 525 L CA 1.291 55.998 54.840 -0.222 0.000 0.752 525 L CB -0.514 41.464 42.059 -0.136 0.000 0.896 525 L HN 0.148 nan 8.230 nan 0.000 0.433 526 R N 0.775 121.186 120.500 -0.149 0.000 2.083 526 R HA -0.147 4.249 4.340 0.094 0.000 0.237 526 R C 2.255 178.485 176.300 -0.117 0.000 1.137 526 R CA 1.881 57.919 56.100 -0.103 0.000 0.951 526 R CB -0.712 29.546 30.300 -0.071 0.000 0.851 526 R HN 0.311 nan 8.270 nan 0.000 0.434 527 A N 0.148 122.874 122.820 -0.158 0.000 1.902 527 A HA -0.026 4.350 4.320 0.094 0.000 0.217 527 A C 2.386 179.848 177.584 -0.203 0.000 1.181 527 A CA 1.835 53.799 52.037 -0.122 0.000 0.623 527 A CB -1.111 17.853 19.000 -0.059 0.000 0.818 527 A HN 0.500 nan 8.150 nan 0.000 0.443 528 A N -1.061 121.435 122.820 -0.541 0.000 1.902 528 A HA -0.124 4.252 4.320 0.094 0.000 0.217 528 A C 2.176 179.672 177.584 -0.146 0.000 1.181 528 A CA 1.930 53.657 52.037 -0.516 0.000 0.623 528 A CB -0.474 18.096 19.000 -0.718 0.000 0.818 528 A HN 0.419 nan 8.150 nan 0.000 0.443 529 M N 0.054 119.578 119.600 -0.127 0.000 2.159 529 M HA -0.114 4.422 4.480 0.094 0.000 0.263 529 M C 0.908 177.204 176.300 -0.007 0.000 1.063 529 M CA 1.297 56.569 55.300 -0.047 0.000 1.110 529 M CB -1.217 31.359 32.600 -0.041 0.000 1.374 529 M HN 0.350 nan 8.290 nan 0.000 0.411 530 D N 0.125 120.521 120.400 -0.007 0.000 2.371 530 D HA 0.007 4.703 4.640 0.094 0.000 0.221 530 D C 0.296 176.624 176.300 0.047 0.000 0.986 530 D CA 0.234 54.247 54.000 0.022 0.000 0.899 530 D CB 0.250 41.062 40.800 0.020 0.000 0.902 530 D HN 0.117 nan 8.370 nan 0.000 0.530 531 V N 1.671 121.622 119.914 0.061 0.000 2.508 531 V HA -0.045 4.132 4.120 0.094 0.000 0.281 531 V C 0.383 176.512 176.094 0.059 0.000 1.041 531 V CA -0.288 62.063 62.300 0.085 0.000 1.016 531 V CB 1.304 33.211 31.823 0.140 0.000 0.984 531 V HN -0.079 nan 8.190 nan 0.000 0.478 532 D N 4.128 124.561 120.400 0.055 0.000 2.563 532 D HA 0.531 5.227 4.640 0.094 0.000 0.222 532 D C 0.316 176.631 176.300 0.026 0.000 1.145 532 D CA 1.014 55.044 54.000 0.050 0.000 1.001 532 D CB -0.158 40.679 40.800 0.062 0.000 1.049 532 D HN 0.862 nan 8.370 nan 0.000 0.515 533 G N 2.212 111.006 108.800 -0.011 0.000 2.359 533 G HA2 0.110 4.126 3.960 0.094 0.000 0.293 533 G HA3 0.110 4.126 3.960 0.094 0.000 0.293 533 G C -3.064 171.794 174.900 -0.070 0.000 1.300 533 G CA -1.054 44.005 45.100 -0.068 0.000 0.888 533 G HN 0.102 nan 8.290 nan 0.000 0.541 534 P HA 0.473 nan 4.420 nan 0.000 0.268 534 P C -0.313 177.009 177.300 0.036 0.000 1.204 534 P CA 0.580 63.651 63.100 -0.049 0.000 0.768 534 P CB 1.480 33.136 31.700 -0.073 0.000 0.842 535 A N 3.050 125.919 122.820 0.082 0.000 2.572 535 A HA 0.657 5.034 4.320 0.094 0.000 0.295 535 A C -1.312 176.384 177.584 0.185 0.000 1.072 535 A CA -0.607 51.538 52.037 0.179 0.000 0.691 535 A CB 1.674 20.834 19.000 0.266 0.000 1.291 535 A HN 0.290 nan 8.150 nan 0.000 0.404 536 V N 1.244 121.302 119.914 0.241 0.000 2.638 536 V HA 0.597 4.773 4.120 0.094 0.000 0.306 536 V C -0.768 175.466 176.094 0.234 0.000 1.052 536 V CA -0.539 61.875 62.300 0.190 0.000 0.885 536 V CB 1.808 33.721 31.823 0.149 0.000 0.999 536 V HN 0.748 nan 8.190 nan 0.000 0.424 537 V N 3.530 123.505 119.914 0.101 0.000 2.444 537 V HA 0.749 4.925 4.120 0.094 0.000 0.294 537 V C 0.317 176.392 176.094 -0.031 0.000 1.022 537 V CA -0.639 61.709 62.300 0.081 0.000 0.850 537 V CB 1.779 33.579 31.823 -0.038 0.000 0.992 537 V HN 0.993 nan 8.190 nan 0.000 0.426 538 A N 6.530 129.356 122.820 0.010 0.000 2.289 538 A HA 0.836 5.212 4.320 0.094 0.000 0.298 538 A C -0.434 177.122 177.584 -0.047 0.000 1.208 538 A CA -0.271 51.733 52.037 -0.054 0.000 0.845 538 A CB 0.126 19.194 19.000 0.113 0.000 1.125 538 A HN 0.802 nan 8.150 nan 0.000 0.517 539 I N 4.254 124.743 120.570 -0.134 0.000 2.437 539 I HA 0.255 4.481 4.170 0.094 0.000 0.279 539 I C -2.566 173.403 176.117 -0.247 0.000 1.028 539 I CA -2.070 59.117 61.300 -0.188 0.000 1.142 539 I CB 2.081 39.883 38.000 -0.329 0.000 1.266 539 I HN 0.369 nan 8.210 nan 0.000 0.461 540 P HA 0.032 nan 4.420 nan 0.000 0.267 540 P C -0.554 176.461 177.300 -0.475 0.000 1.209 540 P CA 0.129 63.033 63.100 -0.327 0.000 0.763 540 P CB 1.019 32.460 31.700 -0.431 0.000 0.816 541 V N 3.397 123.015 119.914 -0.494 0.000 2.715 541 V HA 0.416 4.592 4.120 0.094 0.000 0.310 541 V C -0.858 174.902 176.094 -0.556 0.000 1.054 541 V CA -0.748 61.184 62.300 -0.614 0.000 0.928 541 V CB 2.097 33.454 31.823 -0.776 0.000 1.007 541 V HN 0.333 nan 8.190 nan 0.000 0.437 542 D N 4.108 124.234 120.400 -0.457 0.000 2.396 542 D HA 0.246 4.942 4.640 0.094 0.000 0.225 542 D C 0.054 176.262 176.300 -0.153 0.000 1.121 542 D CA 0.162 53.997 54.000 -0.274 0.000 0.853 542 D CB 0.567 41.246 40.800 -0.203 0.000 1.043 542 D HN 0.627 nan 8.370 nan 0.000 0.500 543 Y N 2.388 122.657 120.300 -0.052 0.000 2.470 543 Y HA 0.115 4.720 4.550 0.092 0.000 0.284 543 Y C 2.050 177.985 175.900 0.059 0.000 1.188 543 Y CA -0.490 57.633 58.100 0.038 0.000 1.269 543 Y CB 0.518 39.036 38.460 0.097 0.000 1.094 543 Y HN 0.253 nan 8.280 nan 0.000 0.518 544 R N 0.069 120.667 120.500 0.163 0.000 2.127 544 R HA -0.167 4.230 4.340 0.094 0.000 0.238 544 R C 0.938 177.328 176.300 0.149 0.000 1.134 544 R CA 1.567 57.742 56.100 0.126 0.000 0.975 544 R CB -0.115 30.233 30.300 0.080 0.000 0.865 544 R HN 0.289 nan 8.270 nan 0.000 0.447 545 D N -0.021 120.490 120.400 0.184 0.000 2.347 545 D HA -0.049 4.648 4.640 0.094 0.000 0.215 545 D C 1.157 177.628 176.300 0.284 0.000 0.976 545 D CA 0.455 54.605 54.000 0.250 0.000 0.884 545 D CB -0.199 40.814 40.800 0.356 0.000 0.915 545 D HN 0.097 nan 8.370 nan 0.000 0.526 546 N N 0.792 119.667 118.700 0.292 0.000 2.060 546 N HA -0.148 4.648 4.740 0.094 0.000 0.195 546 N C -1.078 174.470 175.510 0.065 0.000 1.028 546 N CA 1.178 54.350 53.050 0.202 0.000 0.861 546 N CB -1.341 37.213 38.487 0.111 0.000 1.029 546 N HN 0.258 nan 8.380 nan 0.000 0.428 547 P HA -0.107 nan 4.420 nan 0.000 0.218 547 P C 1.333 178.644 177.300 0.019 0.000 1.146 547 P CA 0.881 63.995 63.100 0.023 0.000 0.813 547 P CB 0.005 31.725 31.700 0.034 0.000 0.778 548 L N -2.028 119.226 121.223 0.051 0.000 2.109 548 L HA -0.121 4.275 4.340 0.094 0.000 0.207 548 L C 2.276 179.138 176.870 -0.015 0.000 1.086 548 L CA 0.873 55.737 54.840 0.041 0.000 0.760 548 L CB -0.873 41.244 42.059 0.097 0.000 0.910 548 L HN 0.024 nan 8.230 nan 0.000 0.437 549 L N -0.097 121.082 121.223 -0.072 0.000 2.109 549 L HA -0.162 4.234 4.340 0.094 0.000 0.207 549 L C 2.487 179.288 176.870 -0.116 0.000 1.086 549 L CA 1.509 56.225 54.840 -0.206 0.000 0.760 549 L CB -0.399 41.333 42.059 -0.545 0.000 0.910 549 L HN 0.221 nan 8.230 nan 0.000 0.437 550 M N -0.207 119.335 119.600 -0.096 0.000 2.144 550 M HA -0.120 4.416 4.480 0.094 0.000 0.260 550 M C 1.924 178.197 176.300 -0.046 0.000 1.067 550 M CA 2.219 57.472 55.300 -0.077 0.000 1.095 550 M CB -1.238 31.322 32.600 -0.066 0.000 1.365 550 M HN 0.210 nan 8.290 nan 0.000 0.406 551 G N -0.812 107.971 108.800 -0.030 0.000 2.625 551 G HA2 -0.138 3.878 3.960 0.094 0.000 0.214 551 G HA3 -0.138 3.878 3.960 0.094 0.000 0.214 551 G C 1.218 176.116 174.900 -0.003 0.000 1.132 551 G CA 0.437 45.529 45.100 -0.014 0.000 0.782 551 G HN 0.678 nan 8.290 nan 0.000 0.538 552 Q N -0.538 119.267 119.800 0.008 0.000 2.280 552 Q HA 0.320 4.717 4.340 0.094 0.000 0.201 552 Q C 0.185 176.250 176.000 0.108 0.000 0.890 552 Q CA -0.241 55.594 55.803 0.053 0.000 0.947 552 Q CB 0.444 29.206 28.738 0.039 0.000 1.081 552 Q HN 0.376 nan 8.270 nan 0.000 0.502 553 L N -0.081 121.147 121.223 0.009 0.000 2.360 553 L HA 0.229 4.625 4.340 0.094 0.000 0.271 553 L C 1.265 178.104 176.870 -0.051 0.000 1.057 553 L CA -0.860 53.923 54.840 -0.095 0.000 0.803 553 L CB 0.731 42.711 42.059 -0.132 0.000 1.207 553 L HN 0.134 nan 8.230 nan 0.000 0.445 554 H N 1.204 120.256 119.070 -0.030 0.000 2.421 554 H HA -0.126 4.486 4.556 0.093 0.000 0.298 554 H C 1.759 177.080 175.328 -0.013 0.000 1.087 554 H CA 1.331 57.385 56.048 0.011 0.000 1.330 554 H CB 0.292 30.082 29.762 0.046 0.000 1.388 554 H HN 0.449 nan 8.280 nan 0.000 0.526 555 L N 1.205 122.475 121.223 0.078 0.000 1.997 555 L HA -0.246 4.150 4.340 0.094 0.000 0.216 555 L C 2.594 179.464 176.870 -0.000 0.000 1.074 555 L CA 2.288 57.135 54.840 0.011 0.000 0.763 555 L CB -0.862 41.169 42.059 -0.048 0.000 0.890 555 L HN 0.304 nan 8.230 nan 0.000 0.434 556 S N -1.777 113.919 115.700 -0.007 0.000 2.419 556 S HA -0.167 4.359 4.470 0.094 0.000 0.233 556 S C 1.566 176.171 174.600 0.009 0.000 1.016 556 S CA 0.766 58.959 58.200 -0.012 0.000 0.974 556 S CB -0.567 62.624 63.200 -0.016 0.000 0.786 556 S HN 0.603 nan 8.310 nan 0.000 0.492 557 Q N 0.279 120.103 119.800 0.040 0.000 2.253 557 Q HA 0.422 4.819 4.340 0.094 0.000 0.210 557 Q C 1.055 177.080 176.000 0.041 0.000 0.907 557 Q CA 0.193 56.028 55.803 0.053 0.000 0.948 557 Q CB -0.122 28.678 28.738 0.104 0.000 1.033 557 Q HN 0.685 nan 8.270 nan 0.000 0.471 558 I N -1.571 119.012 120.570 0.021 0.000 4.578 558 I HA 0.011 4.238 4.170 0.094 0.000 0.312 558 I C 0.109 176.220 176.117 -0.009 0.000 1.224 558 I CA -0.084 61.220 61.300 0.006 0.000 1.318 558 I CB 0.511 38.514 38.000 0.006 0.000 1.388 558 I HN 0.067 nan 8.210 nan 0.000 0.461 559 L N 0.000 121.212 121.223 -0.018 0.000 2.949 559 L HA 0.000 4.396 4.340 0.094 0.000 0.249 559 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 559 L CB 0.000 42.025 42.059 -0.056 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502