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 1b05_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.632 177.584 0.081 0.000 1.274 1 A CA 0.000 52.123 52.037 0.144 0.000 0.836 1 A CB 0.000 19.137 19.000 0.228 0.000 0.831 2 D N 2.098 122.555 120.400 0.094 0.000 2.472 2 D HA 0.394 5.080 4.640 0.076 0.000 0.234 2 D C -0.261 176.005 176.300 -0.056 0.000 1.088 2 D CA 0.020 54.034 54.000 0.024 0.000 0.882 2 D CB 1.634 42.463 40.800 0.049 0.000 1.037 2 D HN 0.269 nan 8.370 nan 0.000 0.520 3 V N 3.984 123.772 119.914 -0.209 0.000 2.470 3 V HA 0.133 4.298 4.120 0.076 0.000 0.276 3 V C -1.705 174.245 176.094 -0.240 0.000 1.040 3 V CA -1.192 60.818 62.300 -0.483 0.000 1.008 3 V CB 0.366 31.872 31.823 -0.527 0.000 0.990 3 V HN 0.309 nan 8.190 nan 0.000 0.477 4 P HA 0.173 nan 4.420 nan 0.000 0.265 4 P C -0.076 177.193 177.300 -0.052 0.000 1.187 4 P CA 0.001 63.072 63.100 -0.048 0.000 0.766 4 P CB 0.395 32.108 31.700 0.022 0.000 0.820 5 A N 2.655 125.460 122.820 -0.025 0.000 2.531 5 A HA 0.403 4.768 4.320 0.076 0.000 0.236 5 A C 1.622 179.200 177.584 -0.009 0.000 1.062 5 A CA 0.671 52.696 52.037 -0.019 0.000 0.760 5 A CB -1.147 17.848 19.000 -0.007 0.000 0.995 5 A HN 0.940 nan 8.150 nan 0.000 0.501 6 G N 0.215 109.009 108.800 -0.009 0.000 2.205 6 G HA2 -0.111 3.895 3.960 0.076 0.000 0.261 6 G HA3 -0.111 3.895 3.960 0.076 0.000 0.261 6 G C 0.671 175.577 174.900 0.010 0.000 0.980 6 G CA 0.822 45.924 45.100 0.003 0.000 0.632 6 G HN 2.382 nan 8.290 nan 0.000 0.533 7 V N -0.475 119.438 119.914 -0.001 0.000 2.649 7 V HA 0.776 4.941 4.120 0.076 0.000 0.292 7 V C 0.174 176.277 176.094 0.016 0.000 1.055 7 V CA -0.256 62.059 62.300 0.026 0.000 1.023 7 V CB 1.770 33.627 31.823 0.057 0.000 0.992 7 V HN 0.386 nan 8.190 nan 0.000 0.480 8 Q N 3.894 123.723 119.800 0.049 0.000 2.278 8 Q HA 0.591 4.977 4.340 0.076 0.000 0.257 8 Q C -0.827 175.214 176.000 0.068 0.000 0.928 8 Q CA -0.211 55.617 55.803 0.042 0.000 0.932 8 Q CB 1.475 30.239 28.738 0.044 0.000 1.221 8 Q HN 0.904 nan 8.270 nan 0.000 0.434 9 L N 2.394 123.645 121.223 0.046 0.000 2.334 9 L HA 0.618 5.003 4.340 0.076 0.000 0.277 9 L C 0.178 177.081 176.870 0.054 0.000 1.075 9 L CA -0.956 53.929 54.840 0.076 0.000 0.804 9 L CB 1.256 43.343 42.059 0.047 0.000 1.174 9 L HN 0.688 nan 8.230 nan 0.000 0.438 10 A N 1.460 124.321 122.820 0.069 0.000 2.425 10 A HA 0.052 4.418 4.320 0.076 0.000 0.242 10 A C 0.678 178.256 177.584 -0.011 0.000 1.077 10 A CA -0.311 51.725 52.037 -0.001 0.000 0.781 10 A CB 0.199 19.185 19.000 -0.024 0.000 1.020 10 A HN 0.850 nan 8.150 nan 0.000 0.494 11 D N 0.050 120.422 120.400 -0.047 0.000 2.104 11 D HA -0.074 4.611 4.640 0.076 0.000 0.194 11 D C 0.718 177.002 176.300 -0.026 0.000 0.994 11 D CA 1.615 55.593 54.000 -0.037 0.000 0.830 11 D CB 0.062 40.830 40.800 -0.053 0.000 0.959 11 D HN 0.578 nan 8.370 nan 0.000 0.452 12 K N 1.108 121.482 120.400 -0.042 0.000 2.253 12 K HA 0.113 4.479 4.320 0.076 0.000 0.277 12 K C -0.600 176.003 176.600 0.004 0.000 1.053 12 K CA -0.299 55.972 56.287 -0.026 0.000 0.892 12 K CB 0.643 33.112 32.500 -0.052 0.000 1.102 12 K HN -0.214 nan 8.250 nan 0.000 0.469 13 Q N 3.446 123.263 119.800 0.029 0.000 2.771 13 Q HA 0.134 4.519 4.340 0.076 0.000 0.239 13 Q C -0.786 175.248 176.000 0.057 0.000 1.231 13 Q CA -0.189 55.651 55.803 0.062 0.000 1.056 13 Q CB 1.053 29.839 28.738 0.080 0.000 1.284 13 Q HN 0.762 nan 8.270 nan 0.000 0.558 14 T N -1.415 113.163 114.554 0.040 0.000 2.907 14 T HA 0.781 5.177 4.350 0.076 0.000 0.292 14 T C -0.648 174.059 174.700 0.012 0.000 1.043 14 T CA -0.899 61.212 62.100 0.017 0.000 1.003 14 T CB 1.937 70.806 68.868 0.001 0.000 1.084 14 T HN 0.242 nan 8.240 nan 0.000 0.483 15 L N 1.695 122.895 121.223 -0.039 0.000 2.422 15 L HA 0.811 5.196 4.340 0.076 0.000 0.264 15 L C -1.613 175.177 176.870 -0.134 0.000 0.984 15 L CA -0.691 54.108 54.840 -0.068 0.000 0.819 15 L CB 2.355 44.347 42.059 -0.111 0.000 1.330 15 L HN 0.716 nan 8.230 nan 0.000 0.410 16 V N 4.920 124.763 119.914 -0.118 0.000 2.444 16 V HA 0.634 4.800 4.120 0.076 0.000 0.294 16 V C -0.357 175.626 176.094 -0.186 0.000 1.022 16 V CA -0.551 61.658 62.300 -0.151 0.000 0.850 16 V CB 1.722 33.501 31.823 -0.074 0.000 0.992 16 V HN 0.719 nan 8.190 nan 0.000 0.426 17 R N 2.861 123.176 120.500 -0.310 0.000 2.599 17 R HA 0.455 4.840 4.340 0.076 0.000 0.295 17 R C -0.639 175.569 176.300 -0.152 0.000 0.963 17 R CA -0.862 55.076 56.100 -0.270 0.000 0.883 17 R CB 1.960 31.979 30.300 -0.469 0.000 1.171 17 R HN 0.699 nan 8.270 nan 0.000 0.450 18 N N 0.706 119.381 118.700 -0.042 0.000 2.529 18 N HA 0.021 4.806 4.740 0.076 0.000 0.278 18 N C -0.046 175.496 175.510 0.053 0.000 1.146 18 N CA 0.009 53.060 53.050 0.001 0.000 0.980 18 N CB 0.816 39.318 38.487 0.026 0.000 1.124 18 N HN 0.471 nan 8.380 nan 0.000 0.458 19 N N 1.347 120.024 118.700 -0.037 0.000 2.238 19 N HA 0.232 5.017 4.740 0.076 0.000 0.235 19 N C 0.713 175.776 175.510 -0.746 0.000 1.209 19 N CA 0.547 53.508 53.050 -0.148 0.000 0.879 19 N CB 0.178 38.672 38.487 0.011 0.000 1.136 19 N HN 0.771 nan 8.380 nan 0.000 0.517 20 G N -0.261 108.034 108.800 -0.841 0.000 2.550 20 G HA2 -0.306 3.700 3.960 0.076 0.000 0.233 20 G HA3 -0.306 3.700 3.960 0.076 0.000 0.233 20 G C 0.119 174.665 174.900 -0.591 0.000 1.170 20 G CA 0.733 45.189 45.100 -1.073 0.000 0.693 20 G HN 1.037 nan 8.290 nan 0.000 0.512 21 S N -1.187 114.230 115.700 -0.472 0.000 2.656 21 S HA 0.545 5.060 4.470 0.076 0.000 0.265 21 S C -1.006 173.525 174.600 -0.115 0.000 1.132 21 S CA 0.158 58.212 58.200 -0.244 0.000 0.819 21 S CB 1.958 64.999 63.200 -0.265 0.000 1.119 21 S HN 1.126 nan 8.310 nan 0.000 0.476 22 E N 1.343 121.560 120.200 0.028 0.000 2.360 22 E HA 0.422 4.818 4.350 0.076 0.000 0.269 22 E C 0.242 176.946 176.600 0.173 0.000 1.022 22 E CA -0.448 56.020 56.400 0.114 0.000 0.887 22 E CB 0.710 30.501 29.700 0.151 0.000 0.990 22 E HN 0.860 nan 8.360 nan 0.000 0.426 23 V N 2.503 122.503 119.914 0.143 0.000 3.051 23 V HA 0.067 4.233 4.120 0.076 0.000 0.306 23 V C 1.142 177.369 176.094 0.222 0.000 1.083 23 V CA -0.165 62.220 62.300 0.142 0.000 1.104 23 V CB 1.064 32.861 31.823 -0.043 0.000 1.027 23 V HN 0.847 nan 8.190 nan 0.000 0.483 24 Q N 1.123 121.047 119.800 0.207 0.000 2.079 24 Q HA 0.063 4.448 4.340 0.076 0.000 0.200 24 Q C 1.034 177.125 176.000 0.152 0.000 0.974 24 Q CA 1.729 57.620 55.803 0.146 0.000 0.840 24 Q CB 0.190 28.980 28.738 0.086 0.000 0.898 24 Q HN 0.958 nan 8.270 nan 0.000 0.430 25 S N -2.389 113.380 115.700 0.115 0.000 2.627 25 S HA 0.291 4.807 4.470 0.076 0.000 0.268 25 S C -0.942 173.618 174.600 -0.067 0.000 1.130 25 S CA -0.769 57.495 58.200 0.108 0.000 0.819 25 S CB 0.282 63.521 63.200 0.065 0.000 1.100 25 S HN 0.174 nan 8.310 nan 0.000 0.465 26 L N 1.340 122.473 121.223 -0.150 0.000 2.693 26 L HA 0.380 4.765 4.340 0.076 0.000 0.235 26 L C 0.139 176.901 176.870 -0.180 0.000 1.127 26 L CA -0.071 54.626 54.840 -0.238 0.000 0.914 26 L CB 0.166 41.998 42.059 -0.378 0.000 1.193 26 L HN 0.561 nan 8.230 nan 0.000 0.502 27 D N 1.705 122.008 120.400 -0.162 0.000 2.336 27 D HA 0.118 4.804 4.640 0.076 0.000 0.249 27 D C -1.647 174.605 176.300 -0.081 0.000 1.213 27 D CA -2.052 51.910 54.000 -0.064 0.000 0.870 27 D CB 1.812 42.679 40.800 0.111 0.000 1.076 27 D HN -0.117 nan 8.370 nan 0.000 0.483 28 P HA -0.124 nan 4.420 nan 0.000 0.220 28 P C 0.329 177.575 177.300 -0.090 0.000 1.144 28 P CA 1.310 64.255 63.100 -0.257 0.000 0.800 28 P CB 0.036 31.458 31.700 -0.464 0.000 0.772 29 H N -1.690 117.368 119.070 -0.020 0.000 2.551 29 H HA 0.190 4.791 4.556 0.076 0.000 0.271 29 H C 0.996 176.344 175.328 0.032 0.000 0.984 29 H CA -0.016 56.033 56.048 0.002 0.000 1.164 29 H CB 0.379 30.142 29.762 0.002 0.000 1.437 29 H HN -0.029 nan 8.280 nan 0.000 0.550 30 K N 1.214 121.695 120.400 0.136 0.000 2.455 30 K HA 0.216 4.581 4.320 0.076 0.000 0.206 30 K C 0.101 176.747 176.600 0.076 0.000 1.027 30 K CA 0.050 56.394 56.287 0.094 0.000 1.113 30 K CB 0.782 33.333 32.500 0.085 0.000 0.850 30 K HN 0.397 nan 8.250 nan 0.000 0.503 31 I N -1.858 118.767 120.570 0.092 0.000 2.846 31 I HA 0.354 4.569 4.170 0.076 0.000 0.307 31 I C 0.437 176.687 176.117 0.221 0.000 1.053 31 I CA -0.694 60.666 61.300 0.099 0.000 1.050 31 I CB 1.982 39.997 38.000 0.025 0.000 1.239 31 I HN -0.007 nan 8.210 nan 0.000 0.439 32 E N 2.187 122.532 120.200 0.240 0.000 2.703 32 E HA 0.303 4.699 4.350 0.076 0.000 0.214 32 E C 0.164 176.963 176.600 0.333 0.000 0.944 32 E CA -0.387 56.283 56.400 0.450 0.000 1.299 32 E CB 0.812 30.706 29.700 0.323 0.000 1.189 32 E HN 0.845 nan 8.360 nan 0.000 0.597 33 G N 0.564 109.522 108.800 0.263 0.000 2.597 33 G HA2 0.404 4.410 3.960 0.076 0.000 0.317 33 G HA3 0.404 4.410 3.960 0.076 0.000 0.317 33 G C 0.787 175.798 174.900 0.185 0.000 1.230 33 G CA -0.482 44.836 45.100 0.363 0.000 0.996 33 G HN -0.050 nan 8.290 nan 0.000 0.490 34 V N 1.232 121.243 119.914 0.162 0.000 2.261 34 V HA -0.082 4.084 4.120 0.076 0.000 0.246 34 V C -0.098 176.007 176.094 0.018 0.000 1.047 34 V CA 2.191 64.522 62.300 0.051 0.000 1.015 34 V CB -0.911 30.958 31.823 0.075 0.000 0.642 34 V HN 0.531 nan 8.190 nan 0.000 0.446 35 P HA -0.141 nan 4.420 nan 0.000 0.215 35 P C 1.450 178.672 177.300 -0.130 0.000 1.153 35 P CA 1.344 64.354 63.100 -0.150 0.000 0.853 35 P CB 0.021 31.516 31.700 -0.341 0.000 0.788 36 E N -0.674 119.516 120.200 -0.018 0.000 2.051 36 E HA -0.108 4.287 4.350 0.076 0.000 0.192 36 E C 2.129 178.637 176.600 -0.154 0.000 0.991 36 E CA 1.498 57.859 56.400 -0.066 0.000 0.799 36 E CB -1.096 28.623 29.700 0.032 0.000 0.748 36 E HN 0.152 nan 8.360 nan 0.000 0.449 37 S N 0.797 116.412 115.700 -0.143 0.000 2.428 37 S HA -0.063 4.453 4.470 0.076 0.000 0.230 37 S C 1.532 175.991 174.600 -0.234 0.000 1.014 37 S CA 0.571 58.642 58.200 -0.214 0.000 0.957 37 S CB -0.227 62.832 63.200 -0.236 0.000 0.784 37 S HN 0.228 nan 8.310 nan 0.000 0.499 38 N N 1.650 120.217 118.700 -0.223 0.000 2.069 38 N HA -0.068 4.717 4.740 0.076 0.000 0.191 38 N C 1.709 176.948 175.510 -0.451 0.000 1.031 38 N CA 1.140 54.034 53.050 -0.259 0.000 0.852 38 N CB -0.691 37.693 38.487 -0.171 0.000 1.018 38 N HN 0.230 nan 8.380 nan 0.000 0.423 39 V N 0.137 119.674 119.914 -0.628 0.000 2.453 39 V HA -0.098 4.067 4.120 0.076 0.000 0.247 39 V C 2.433 178.316 176.094 -0.352 0.000 1.048 39 V CA 1.409 63.280 62.300 -0.715 0.000 1.049 39 V CB -0.637 30.747 31.823 -0.732 0.000 0.672 39 V HN 0.294 nan 8.190 nan 0.000 0.457 40 S N -0.332 115.228 115.700 -0.234 0.000 2.382 40 S HA -0.192 4.323 4.470 0.076 0.000 0.228 40 S C 2.167 176.744 174.600 -0.038 0.000 1.027 40 S CA 1.437 59.606 58.200 -0.052 0.000 0.991 40 S CB -0.244 62.905 63.200 -0.084 0.000 0.823 40 S HN 0.545 nan 8.310 nan 0.000 0.469 41 R N 0.525 120.930 120.500 -0.157 0.000 2.152 41 R HA -0.035 4.350 4.340 0.076 0.000 0.232 41 R C 1.502 177.792 176.300 -0.018 0.000 1.117 41 R CA 1.435 57.443 56.100 -0.154 0.000 0.981 41 R CB -0.254 29.717 30.300 -0.548 0.000 0.870 41 R HN 0.419 nan 8.270 nan 0.000 0.451 42 D N 0.253 120.617 120.400 -0.060 0.000 2.234 42 D HA -0.040 4.645 4.640 0.076 0.000 0.205 42 D C 1.840 178.139 176.300 -0.001 0.000 0.962 42 D CA 0.894 54.920 54.000 0.044 0.000 0.855 42 D CB 0.208 40.994 40.800 -0.023 0.000 0.951 42 D HN 0.210 nan 8.370 nan 0.000 0.500 43 L N -1.206 119.941 121.223 -0.127 0.000 2.221 43 L HA 0.124 4.510 4.340 0.076 0.000 0.202 43 L C 0.113 176.652 176.870 -0.551 0.000 1.074 43 L CA 0.434 55.051 54.840 -0.372 0.000 0.795 43 L CB 0.146 41.850 42.059 -0.592 0.000 0.960 43 L HN -0.158 nan 8.230 nan 0.000 0.458 44 F N -0.065 119.909 119.950 0.040 0.000 2.493 44 F HA 0.384 4.956 4.527 0.075 0.000 0.329 44 F C 0.078 175.917 175.800 0.065 0.000 1.126 44 F CA -0.803 57.232 58.000 0.057 0.000 0.937 44 F CB 1.508 40.552 39.000 0.073 0.000 1.146 44 F HN -0.171 nan 8.300 nan 0.000 0.442 45 E N 2.117 122.451 120.200 0.224 0.000 2.145 45 E HA 0.586 4.981 4.350 0.076 0.000 0.270 45 E C 0.085 176.850 176.600 0.275 0.000 0.906 45 E CA -0.548 56.002 56.400 0.250 0.000 0.761 45 E CB 1.349 31.223 29.700 0.289 0.000 1.116 45 E HN 0.815 nan 8.360 nan 0.000 0.408 46 G N 3.020 111.997 108.800 0.295 0.000 2.494 46 G HA2 0.101 4.106 3.960 0.076 0.000 0.270 46 G HA3 0.101 4.106 3.960 0.076 0.000 0.270 46 G C 0.874 175.918 174.900 0.240 0.000 1.423 46 G CA -0.465 44.859 45.100 0.374 0.000 1.055 46 G HN 0.613 nan 8.290 nan 0.000 0.536 47 L N -1.342 119.884 121.223 0.004 0.000 2.017 47 L HA 0.041 4.427 4.340 0.076 0.000 0.208 47 L C 0.584 177.377 176.870 -0.130 0.000 1.073 47 L CA 0.738 55.397 54.840 -0.302 0.000 0.745 47 L CB -0.479 41.160 42.059 -0.699 0.000 0.894 47 L HN 0.118 nan 8.230 nan 0.000 0.432 48 L N -1.206 119.957 121.223 -0.100 0.000 2.303 48 L HA 0.553 4.939 4.340 0.076 0.000 0.266 48 L C -0.269 176.667 176.870 0.109 0.000 1.011 48 L CA -0.508 54.320 54.840 -0.020 0.000 0.818 48 L CB 1.884 43.871 42.059 -0.120 0.000 1.326 48 L HN -0.029 nan 8.230 nan 0.000 0.435 49 I N -3.313 117.350 120.570 0.153 0.000 3.174 49 I HA 0.667 4.882 4.170 0.076 0.000 0.313 49 I C -0.527 175.697 176.117 0.178 0.000 1.155 49 I CA -0.744 60.655 61.300 0.164 0.000 0.977 49 I CB 2.247 40.222 38.000 -0.043 0.000 1.248 49 I HN 0.329 nan 8.210 nan 0.000 0.453 50 S N 2.026 117.891 115.700 0.274 0.000 2.565 50 S HA 0.211 4.727 4.470 0.076 0.000 0.274 50 S C -0.439 174.258 174.600 0.162 0.000 1.309 50 S CA -0.588 57.769 58.200 0.261 0.000 1.043 50 S CB 0.659 64.057 63.200 0.330 0.000 0.939 50 S HN 0.801 nan 8.310 nan 0.000 0.504 51 D N 0.826 121.329 120.400 0.170 0.000 2.414 51 D HA 0.012 4.697 4.640 0.076 0.000 0.259 51 D C 1.665 178.042 176.300 0.128 0.000 1.269 51 D CA -0.542 53.542 54.000 0.141 0.000 1.028 51 D CB -0.244 40.684 40.800 0.214 0.000 1.093 51 D HN 0.288 nan 8.370 nan 0.000 0.545 52 V N -2.961 117.023 119.914 0.117 0.000 2.867 52 V HA -0.104 4.061 4.120 0.076 0.000 0.260 52 V C 1.236 177.348 176.094 0.030 0.000 1.099 52 V CA 1.546 63.908 62.300 0.103 0.000 1.122 52 V CB -1.101 30.783 31.823 0.102 0.000 0.708 52 V HN 0.539 nan 8.190 nan 0.000 0.490 53 E N 0.337 120.518 120.200 -0.031 0.000 2.501 53 E HA 0.414 4.809 4.350 0.076 0.000 0.201 53 E C 1.565 177.992 176.600 -0.290 0.000 1.016 53 E CA 0.428 56.727 56.400 -0.169 0.000 0.920 53 E CB 0.669 30.248 29.700 -0.202 0.000 1.023 53 E HN 0.769 nan 8.360 nan 0.000 0.474 54 G N 1.553 110.272 108.800 -0.135 0.000 2.175 54 G HA2 -0.251 3.754 3.960 0.076 0.000 0.244 54 G HA3 -0.251 3.754 3.960 0.076 0.000 0.244 54 G C -0.103 174.785 174.900 -0.019 0.000 0.982 54 G CA -0.052 45.013 45.100 -0.058 0.000 0.641 54 G HN 0.432 nan 8.290 nan 0.000 0.527 55 H N 1.586 120.753 119.070 0.161 0.000 2.652 55 H HA 0.444 5.024 4.556 0.041 0.000 0.349 55 H C -2.252 173.213 175.328 0.227 0.000 1.099 55 H CA -1.350 54.813 56.048 0.192 0.000 1.417 55 H CB 0.635 30.509 29.762 0.186 0.000 1.457 55 H HN 0.131 nan 8.280 nan 0.000 0.568 56 P HA 0.041 nan 4.420 nan 0.000 0.263 56 P C -0.721 176.833 177.300 0.423 0.000 1.195 56 P CA 0.440 63.763 63.100 0.373 0.000 0.762 56 P CB 0.857 32.822 31.700 0.441 0.000 0.799 57 S N 3.833 119.753 115.700 0.367 0.000 2.671 57 S HA 0.585 5.100 4.470 0.076 0.000 0.277 57 S C -2.852 172.004 174.600 0.426 0.000 1.165 57 S CA -1.548 56.898 58.200 0.411 0.000 0.822 57 S CB 1.162 64.540 63.200 0.298 0.000 1.150 57 S HN 0.197 nan 8.310 nan 0.000 0.479 58 P HA 0.224 nan 4.420 nan 0.000 0.264 58 P C 0.044 177.537 177.300 0.320 0.000 1.193 58 P CA 0.362 63.743 63.100 0.469 0.000 0.763 58 P CB 0.268 32.171 31.700 0.337 0.000 0.810 59 G N 1.527 110.471 108.800 0.240 0.000 3.110 59 G HA2 0.123 4.128 3.960 0.076 0.000 0.207 59 G HA3 0.123 4.128 3.960 0.076 0.000 0.207 59 G C 1.018 176.012 174.900 0.157 0.000 1.841 59 G CA -0.247 45.013 45.100 0.266 0.000 0.751 59 G HN 0.259 nan 8.290 nan 0.000 0.771 60 V N 1.941 121.925 119.914 0.116 0.000 2.515 60 V HA 0.150 4.316 4.120 0.076 0.000 0.250 60 V C 1.856 177.899 176.094 -0.086 0.000 1.058 60 V CA 1.378 63.669 62.300 -0.014 0.000 1.064 60 V CB -0.787 31.103 31.823 0.111 0.000 0.675 60 V HN 0.596 nan 8.190 nan 0.000 0.461 61 A N 0.976 123.791 122.820 -0.008 0.000 2.354 61 A HA 0.271 4.637 4.320 0.076 0.000 0.281 61 A C 1.248 178.989 177.584 0.261 0.000 1.174 61 A CA -0.133 52.000 52.037 0.160 0.000 0.828 61 A CB 0.065 19.242 19.000 0.296 0.000 1.099 61 A HN 0.647 nan 8.150 nan 0.000 0.516 62 E N 2.523 122.814 120.200 0.152 0.000 2.385 62 E HA 0.060 4.455 4.350 0.076 0.000 0.194 62 E C 0.390 177.061 176.600 0.120 0.000 1.013 62 E CA 0.737 57.183 56.400 0.077 0.000 0.866 62 E CB -0.070 29.578 29.700 -0.087 0.000 0.832 62 E HN 0.680 nan 8.360 nan 0.000 0.500 63 K N -0.279 120.265 120.400 0.240 0.000 2.597 63 K HA 0.419 4.784 4.320 0.076 0.000 0.282 63 K C -2.117 174.690 176.600 0.345 0.000 0.975 63 K CA -1.007 55.278 56.287 -0.004 0.000 0.867 63 K CB 1.172 33.593 32.500 -0.131 0.000 1.465 63 K HN 0.147 nan 8.250 nan 0.000 0.417 64 W N 0.355 121.733 121.300 0.131 0.000 3.137 64 W HA 0.686 5.387 4.660 0.068 0.000 0.324 64 W C -1.601 174.886 176.519 -0.054 0.000 1.253 64 W CA -0.575 56.767 57.345 -0.004 0.000 1.183 64 W CB 1.055 30.441 29.460 -0.124 0.000 1.424 64 W HN 0.635 nan 8.180 nan 0.000 0.566 65 E N 1.219 121.437 120.200 0.030 0.000 2.416 65 E HA 0.503 4.898 4.350 0.076 0.000 0.273 65 E C -1.291 175.149 176.600 -0.266 0.000 0.935 65 E CA -1.189 55.148 56.400 -0.105 0.000 0.784 65 E CB 1.896 31.525 29.700 -0.119 0.000 1.301 65 E HN 0.529 nan 8.360 nan 0.000 0.454 66 N N -0.724 117.682 118.700 -0.490 0.000 2.229 66 N HA 0.557 5.343 4.740 0.076 0.000 0.298 66 N C -1.485 173.629 175.510 -0.661 0.000 1.114 66 N CA -1.064 51.446 53.050 -0.900 0.000 0.776 66 N CB 1.679 39.051 38.487 -1.857 0.000 1.501 66 N HN 0.203 nan 8.380 nan 0.000 0.474 67 K N 1.007 121.046 120.400 -0.602 0.000 2.367 67 K HA 0.332 4.697 4.320 0.076 0.000 0.263 67 K C -0.966 175.362 176.600 -0.453 0.000 1.000 67 K CA -0.247 55.780 56.287 -0.433 0.000 0.891 67 K CB 0.203 32.535 32.500 -0.279 0.000 1.117 67 K HN 0.634 nan 8.250 nan 0.000 0.443 68 D N 4.584 124.680 120.400 -0.506 0.000 2.882 68 D HA -0.248 4.438 4.640 0.076 0.000 0.229 68 D C -0.519 175.578 176.300 -0.338 0.000 1.167 68 D CA 1.342 55.086 54.000 -0.426 0.000 0.759 68 D CB -1.303 39.388 40.800 -0.181 0.000 1.088 68 D HN 0.727 nan 8.370 nan 0.000 0.425 69 F N -2.439 117.376 119.950 -0.226 0.000 3.006 69 F HA -0.324 4.248 4.527 0.075 0.000 0.289 69 F C 1.671 177.546 175.800 0.125 0.000 0.772 69 F CA 1.376 59.352 58.000 -0.041 0.000 1.162 69 F CB -1.916 37.189 39.000 0.175 0.000 1.382 69 F HN 0.226 nan 8.300 nan 0.000 0.406 70 K N -0.975 119.420 120.400 -0.009 0.000 2.462 70 K HA 0.394 4.760 4.320 0.076 0.000 0.201 70 K C 0.084 176.711 176.600 0.044 0.000 1.268 70 K CA 0.608 56.938 56.287 0.072 0.000 0.933 70 K CB 1.239 33.740 32.500 0.002 0.000 1.162 70 K HN -0.025 nan 8.250 nan 0.000 0.527 71 V N 1.859 121.683 119.914 -0.150 0.000 2.350 71 V HA 0.264 4.429 4.120 0.076 0.000 0.285 71 V C -1.526 174.434 176.094 -0.224 0.000 1.014 71 V CA -0.709 61.534 62.300 -0.095 0.000 0.831 71 V CB 0.804 32.557 31.823 -0.117 0.000 1.000 71 V HN 0.161 nan 8.190 nan 0.000 0.433 72 W N 2.557 123.804 121.300 -0.088 0.000 2.417 72 W HA 0.647 5.352 4.660 0.074 0.000 0.315 72 W C 0.219 176.554 176.519 -0.308 0.000 1.045 72 W CA -0.447 56.813 57.345 -0.141 0.000 1.221 72 W CB 1.911 31.451 29.460 0.133 0.000 1.309 72 W HN 0.358 nan 8.180 nan 0.000 0.453 73 T N 4.362 118.736 114.554 -0.299 0.000 2.791 73 T HA 0.487 4.882 4.350 0.076 0.000 0.288 73 T C -1.044 173.338 174.700 -0.529 0.000 0.999 73 T CA -0.518 61.383 62.100 -0.333 0.000 0.952 73 T CB 0.240 68.956 68.868 -0.254 0.000 0.938 73 T HN -0.022 nan 8.240 nan 0.000 0.444 74 F N 2.868 122.771 119.950 -0.079 0.000 2.411 74 F HA 0.330 4.901 4.527 0.073 0.000 0.352 74 F C 0.995 176.685 175.800 -0.183 0.000 1.123 74 F CA -1.029 56.968 58.000 -0.005 0.000 1.044 74 F CB 0.973 40.017 39.000 0.072 0.000 1.135 74 F HN 0.500 nan 8.300 nan 0.000 0.461 75 H N 5.505 124.733 119.070 0.263 0.000 2.761 75 H HA 0.313 4.914 4.556 0.075 0.000 0.284 75 H C -0.201 175.202 175.328 0.125 0.000 1.105 75 H CA -0.354 55.785 56.048 0.151 0.000 1.352 75 H CB 0.664 30.472 29.762 0.077 0.000 1.423 75 H HN 0.465 nan 8.280 nan 0.000 0.464 76 L N 3.852 125.182 121.223 0.178 0.000 2.349 76 L HA 0.269 4.655 4.340 0.076 0.000 0.275 76 L C 1.192 178.066 176.870 0.006 0.000 1.115 76 L CA -0.736 54.157 54.840 0.088 0.000 0.820 76 L CB 0.717 42.840 42.059 0.107 0.000 1.135 76 L HN 0.478 nan 8.230 nan 0.000 0.445 77 R N 2.128 122.549 120.500 -0.131 0.000 2.570 77 R HA 0.047 4.432 4.340 0.076 0.000 0.277 77 R C 0.280 176.432 176.300 -0.247 0.000 1.039 77 R CA -0.318 55.633 56.100 -0.249 0.000 1.065 77 R CB 0.692 30.706 30.300 -0.477 0.000 0.964 77 R HN 0.670 nan 8.270 nan 0.000 0.428 78 E N 1.886 121.896 120.200 -0.316 0.000 2.118 78 E HA -0.221 4.174 4.350 0.076 0.000 0.195 78 E C 0.713 177.203 176.600 -0.183 0.000 0.992 78 E CA 1.703 57.854 56.400 -0.415 0.000 0.804 78 E CB -0.038 29.451 29.700 -0.351 0.000 0.741 78 E HN 0.781 nan 8.360 nan 0.000 0.458 79 N N 0.691 119.319 118.700 -0.120 0.000 2.314 79 N HA 0.054 4.839 4.740 0.076 0.000 0.200 79 N C -0.273 175.250 175.510 0.022 0.000 1.135 79 N CA 0.129 53.167 53.050 -0.021 0.000 0.835 79 N CB 0.051 38.545 38.487 0.012 0.000 0.989 79 N HN -0.068 nan 8.380 nan 0.000 0.478 80 A N 0.649 123.449 122.820 -0.035 0.000 2.492 80 A HA 0.366 4.731 4.320 0.076 0.000 0.254 80 A C 0.086 177.709 177.584 0.065 0.000 1.091 80 A CA -0.033 52.018 52.037 0.024 0.000 0.768 80 A CB 0.206 19.181 19.000 -0.040 0.000 1.028 80 A HN 0.357 nan 8.150 nan 0.000 0.498 81 K N 1.342 121.796 120.400 0.090 0.000 2.443 81 K HA 0.422 4.787 4.320 0.076 0.000 0.251 81 K C -1.219 175.423 176.600 0.070 0.000 0.972 81 K CA -0.516 55.833 56.287 0.104 0.000 0.833 81 K CB 1.635 34.227 32.500 0.152 0.000 1.317 81 K HN 0.768 nan 8.250 nan 0.000 0.441 82 W N 0.330 121.714 121.300 0.139 0.000 2.089 82 W HA 0.033 4.741 4.660 0.079 0.000 0.362 82 W C 1.647 178.227 176.519 0.101 0.000 1.362 82 W CA -0.069 57.350 57.345 0.123 0.000 1.460 82 W CB 0.661 30.184 29.460 0.105 0.000 1.204 82 W HN 0.708 nan 8.180 nan 0.000 0.657 83 S N -0.569 115.355 115.700 0.374 0.000 2.515 83 S HA -0.202 4.313 4.470 0.076 0.000 0.231 83 S C 0.868 175.576 174.600 0.180 0.000 0.987 83 S CA 1.274 59.603 58.200 0.214 0.000 0.936 83 S CB -0.492 62.803 63.200 0.158 0.000 0.766 83 S HN 0.601 nan 8.310 nan 0.000 0.528 84 D N 0.260 120.781 120.400 0.201 0.000 2.328 84 D HA 0.286 4.971 4.640 0.076 0.000 0.226 84 D C 1.389 177.773 176.300 0.140 0.000 1.066 84 D CA 0.474 54.557 54.000 0.138 0.000 0.861 84 D CB -0.590 40.272 40.800 0.104 0.000 0.912 84 D HN 0.490 nan 8.370 nan 0.000 0.521 85 G N 0.199 109.104 108.800 0.175 0.000 2.199 85 G HA2 -0.285 3.720 3.960 0.076 0.000 0.254 85 G HA3 -0.285 3.720 3.960 0.076 0.000 0.254 85 G C 0.546 175.553 174.900 0.178 0.000 0.982 85 G CA 0.525 45.718 45.100 0.155 0.000 0.632 85 G HN 0.800 nan 8.290 nan 0.000 0.529 86 T N -0.250 114.437 114.554 0.222 0.000 2.904 86 T HA 0.604 5.000 4.350 0.076 0.000 0.290 86 T C -2.287 172.614 174.700 0.334 0.000 1.018 86 T CA -1.404 60.834 62.100 0.230 0.000 1.075 86 T CB 2.134 71.108 68.868 0.176 0.000 0.986 86 T HN 0.072 nan 8.240 nan 0.000 0.523 87 P HA 0.235 nan 4.420 nan 0.000 0.269 87 P C -0.675 176.827 177.300 0.336 0.000 1.209 87 P CA -0.511 62.749 63.100 0.267 0.000 0.776 87 P CB 0.420 32.260 31.700 0.234 0.000 0.876 88 V N 3.255 123.264 119.914 0.159 0.000 2.432 88 V HA 0.321 4.486 4.120 0.076 0.000 0.271 88 V C 0.886 177.093 176.094 0.189 0.000 1.046 88 V CA 0.170 62.504 62.300 0.056 0.000 0.945 88 V CB 0.496 32.198 31.823 -0.201 0.000 0.992 88 V HN 0.720 nan 8.190 nan 0.000 0.471 89 T N 2.024 116.715 114.554 0.229 0.000 2.883 89 T HA 0.680 5.076 4.350 0.076 0.000 0.284 89 T C 1.088 175.876 174.700 0.146 0.000 1.041 89 T CA -0.061 62.127 62.100 0.147 0.000 1.007 89 T CB 1.975 70.922 68.868 0.131 0.000 1.220 89 T HN 0.567 nan 8.240 nan 0.000 0.552 90 A N -0.286 122.523 122.820 -0.019 0.000 2.015 90 A HA -0.022 4.343 4.320 0.076 0.000 0.219 90 A C 2.096 179.657 177.584 -0.037 0.000 1.163 90 A CA 0.976 52.999 52.037 -0.024 0.000 0.646 90 A CB -1.217 17.762 19.000 -0.034 0.000 0.806 90 A HN 0.935 nan 8.150 nan 0.000 0.448 91 H N 0.424 119.579 119.070 0.141 0.000 2.423 91 H HA -0.094 4.508 4.556 0.076 0.000 0.297 91 H C 1.289 176.698 175.328 0.135 0.000 1.075 91 H CA 1.418 57.545 56.048 0.132 0.000 1.342 91 H CB -0.207 29.605 29.762 0.084 0.000 1.395 91 H HN 0.483 nan 8.280 nan 0.000 0.530 92 D N 0.511 121.039 120.400 0.212 0.000 2.097 92 D HA -0.130 4.556 4.640 0.076 0.000 0.195 92 D C 2.058 178.341 176.300 -0.027 0.000 0.989 92 D CA 0.865 54.950 54.000 0.142 0.000 0.827 92 D CB -0.455 40.451 40.800 0.175 0.000 0.966 92 D HN 0.268 nan 8.370 nan 0.000 0.456 93 F N 0.829 120.660 119.950 -0.198 0.000 2.186 93 F HA -0.141 4.431 4.527 0.075 0.000 0.299 93 F C 2.550 178.129 175.800 -0.368 0.000 1.090 93 F CA 0.405 58.041 58.000 -0.607 0.000 1.307 93 F CB -0.661 37.276 39.000 -1.771 0.000 1.019 93 F HN -0.184 nan 8.300 nan 0.000 0.489 94 V N -0.544 119.442 119.914 0.120 0.000 2.255 94 V HA -0.351 3.814 4.120 0.076 0.000 0.247 94 V C 2.103 178.350 176.094 0.256 0.000 1.051 94 V CA 2.213 64.694 62.300 0.302 0.000 1.018 94 V CB -0.924 31.092 31.823 0.322 0.000 0.641 94 V HN 0.426 nan 8.190 nan 0.000 0.445 95 Y N 1.319 121.698 120.300 0.131 0.000 2.145 95 Y HA -0.241 4.355 4.550 0.075 0.000 0.286 95 Y C 2.703 178.687 175.900 0.140 0.000 1.145 95 Y CA 1.855 60.019 58.100 0.106 0.000 1.148 95 Y CB -0.489 38.003 38.460 0.053 0.000 0.981 95 Y HN 0.218 nan 8.280 nan 0.000 0.507 96 S N -0.217 115.522 115.700 0.064 0.000 2.353 96 S HA -0.224 4.291 4.470 0.076 0.000 0.222 96 S C 1.535 176.293 174.600 0.263 0.000 1.035 96 S CA 1.661 59.939 58.200 0.129 0.000 1.025 96 S CB -0.796 62.545 63.200 0.234 0.000 0.902 96 S HN 0.666 nan 8.310 nan 0.000 0.440 97 W N 2.215 123.544 121.300 0.050 0.000 2.425 97 W HA 0.043 4.747 4.660 0.073 0.000 0.277 97 W C 2.440 178.931 176.519 -0.047 0.000 1.231 97 W CA -0.026 57.351 57.345 0.052 0.000 1.248 97 W CB -1.107 28.488 29.460 0.226 0.000 1.117 97 W HN 0.438 nan 8.180 nan 0.000 0.568 98 Q N -0.125 119.769 119.800 0.157 0.000 2.079 98 Q HA -0.187 4.198 4.340 0.076 0.000 0.200 98 Q C 2.279 178.208 176.000 -0.119 0.000 0.974 98 Q CA 1.668 57.488 55.803 0.028 0.000 0.840 98 Q CB -0.456 28.297 28.738 0.025 0.000 0.898 98 Q HN 0.263 nan 8.270 nan 0.000 0.430 99 R N 0.610 120.943 120.500 -0.277 0.000 2.096 99 R HA -0.167 4.218 4.340 0.076 0.000 0.235 99 R C 2.188 178.236 176.300 -0.419 0.000 1.127 99 R CA 0.910 56.806 56.100 -0.340 0.000 0.968 99 R CB -0.207 29.838 30.300 -0.425 0.000 0.861 99 R HN 0.222 nan 8.270 nan 0.000 0.440 100 L N 0.579 121.412 121.223 -0.650 0.000 2.046 100 L HA -0.043 4.342 4.340 0.076 0.000 0.208 100 L C 2.200 178.911 176.870 -0.266 0.000 1.077 100 L CA 2.199 56.660 54.840 -0.633 0.000 0.747 100 L CB -0.629 41.098 42.059 -0.554 0.000 0.896 100 L HN 0.243 nan 8.230 nan 0.000 0.432 101 A N -1.367 121.358 122.820 -0.158 0.000 1.968 101 A HA -0.135 4.231 4.320 0.076 0.000 0.217 101 A C 1.066 178.607 177.584 -0.073 0.000 1.169 101 A CA 0.779 52.766 52.037 -0.084 0.000 0.638 101 A CB -0.782 18.205 19.000 -0.021 0.000 0.812 101 A HN 0.513 nan 8.150 nan 0.000 0.446 102 D N 0.188 120.539 120.400 -0.082 0.000 2.434 102 D HA 0.088 4.774 4.640 0.076 0.000 0.252 102 D C -1.398 174.873 176.300 -0.050 0.000 1.185 102 D CA -1.811 52.157 54.000 -0.055 0.000 0.886 102 D CB 1.083 41.849 40.800 -0.057 0.000 1.148 102 D HN 0.105 nan 8.370 nan 0.000 0.483 103 P HA -0.133 nan 4.420 nan 0.000 0.220 103 P C 0.607 177.895 177.300 -0.020 0.000 1.148 103 P CA 1.051 64.134 63.100 -0.028 0.000 0.803 103 P CB 0.199 31.888 31.700 -0.019 0.000 0.782 104 N N -0.680 118.012 118.700 -0.013 0.000 2.223 104 N HA -0.089 4.696 4.740 0.076 0.000 0.185 104 N C 1.448 176.958 175.510 0.000 0.000 1.016 104 N CA 1.327 54.376 53.050 -0.002 0.000 0.863 104 N CB -0.497 37.993 38.487 0.006 0.000 0.983 104 N HN 0.152 nan 8.380 nan 0.000 0.429 105 T N 0.246 114.793 114.554 -0.012 0.000 2.951 105 T HA 0.068 4.464 4.350 0.076 0.000 0.268 105 T C 1.113 175.812 174.700 -0.002 0.000 1.073 105 T CA 0.782 62.883 62.100 0.002 0.000 1.134 105 T CB -0.217 68.633 68.868 -0.030 0.000 0.884 105 T HN 0.398 nan 8.240 nan 0.000 0.479 106 A N 1.564 124.369 122.820 -0.025 0.000 2.791 106 A HA -0.147 4.218 4.320 0.076 0.000 0.292 106 A C 0.905 178.458 177.584 -0.051 0.000 1.487 106 A CA 0.653 52.666 52.037 -0.040 0.000 0.760 106 A CB -2.276 16.705 19.000 -0.031 0.000 1.031 106 A HN 0.516 nan 8.150 nan 0.000 0.503 107 S N 0.116 115.790 115.700 -0.043 0.000 2.564 107 S HA 0.485 5.000 4.470 0.076 0.000 0.278 107 S C -0.192 174.371 174.600 -0.061 0.000 1.333 107 S CA -0.659 57.532 58.200 -0.016 0.000 1.048 107 S CB 0.640 63.843 63.200 0.004 0.000 0.900 107 S HN 0.409 nan 8.310 nan 0.000 0.505 108 P HA -0.023 nan 4.420 nan 0.000 0.226 108 P C 0.034 177.260 177.300 -0.123 0.000 1.153 108 P CA 1.055 64.057 63.100 -0.164 0.000 0.777 108 P CB -0.052 31.567 31.700 -0.135 0.000 0.794 109 Y N -0.714 119.573 120.300 -0.021 0.000 2.658 109 Y HA 0.438 5.034 4.550 0.077 0.000 0.276 109 Y C 2.222 178.065 175.900 -0.094 0.000 1.167 109 Y CA -0.250 57.835 58.100 -0.024 0.000 1.230 109 Y CB -0.502 37.953 38.460 -0.008 0.000 1.144 109 Y HN -0.070 nan 8.280 nan 0.000 0.529 110 A N -0.592 122.216 122.820 -0.019 0.000 1.917 110 A HA -0.227 4.138 4.320 0.076 0.000 0.219 110 A C 2.338 179.841 177.584 -0.135 0.000 1.182 110 A CA 2.353 54.343 52.037 -0.078 0.000 0.633 110 A CB -0.729 18.220 19.000 -0.085 0.000 0.819 110 A HN 0.340 nan 8.150 nan 0.000 0.448 111 S N -1.991 113.586 115.700 -0.205 0.000 2.547 111 S HA -0.073 4.442 4.470 0.076 0.000 0.235 111 S C 1.486 175.566 174.600 -0.867 0.000 0.980 111 S CA 0.679 58.633 58.200 -0.411 0.000 0.941 111 S CB -0.510 62.481 63.200 -0.348 0.000 0.763 111 S HN 0.628 nan 8.310 nan 0.000 0.532 112 Y N 2.108 121.980 120.300 -0.714 0.000 2.256 112 Y HA -0.080 4.514 4.550 0.074 0.000 0.288 112 Y C 1.647 177.298 175.900 -0.416 0.000 1.155 112 Y CA 1.101 58.839 58.100 -0.604 0.000 1.203 112 Y CB -0.261 38.096 38.460 -0.172 0.000 0.980 112 Y HN 0.236 nan 8.280 nan 0.000 0.530 113 L N -0.780 120.289 121.223 -0.257 0.000 2.313 113 L HA -0.157 4.229 4.340 0.076 0.000 0.214 113 L C 2.140 178.889 176.870 -0.202 0.000 1.119 113 L CA 0.765 55.490 54.840 -0.193 0.000 0.809 113 L CB -0.389 41.602 42.059 -0.114 0.000 0.933 113 L HN 0.238 nan 8.230 nan 0.000 0.449 114 Q N -0.851 118.783 119.800 -0.277 0.000 2.083 114 Q HA -0.152 4.234 4.340 0.076 0.000 0.198 114 Q C 2.055 177.828 176.000 -0.379 0.000 0.969 114 Q CA 1.276 56.915 55.803 -0.273 0.000 0.838 114 Q CB -0.108 28.533 28.738 -0.162 0.000 0.900 114 Q HN 0.436 nan 8.270 nan 0.000 0.436 115 Y N -0.001 120.115 120.300 -0.307 0.000 2.274 115 Y HA -0.042 4.553 4.550 0.075 0.000 0.290 115 Y C 2.382 178.131 175.900 -0.252 0.000 1.145 115 Y CA 1.020 58.960 58.100 -0.267 0.000 1.203 115 Y CB -1.054 37.311 38.460 -0.159 0.000 0.984 115 Y HN 0.130 nan 8.280 nan 0.000 0.533 116 G N -2.325 106.406 108.800 -0.115 0.000 2.880 116 G HA2 -0.050 3.956 3.960 0.076 0.000 0.209 116 G HA3 -0.050 3.956 3.960 0.076 0.000 0.209 116 G C -0.313 174.629 174.900 0.071 0.000 1.157 116 G CA 0.326 45.475 45.100 0.082 0.000 0.779 116 G HN 0.637 nan 8.290 nan 0.000 0.539 117 H N -1.576 117.494 119.070 -0.000 0.000 2.839 117 H HA -0.133 4.468 4.556 0.075 0.000 0.298 117 H C 0.097 175.398 175.328 -0.045 0.000 1.224 117 H CA -0.016 56.022 56.048 -0.016 0.000 1.144 117 H CB -2.152 27.598 29.762 -0.019 0.000 1.372 117 H HN 0.309 nan 8.280 nan 0.000 0.408 118 I N 0.745 121.331 120.570 0.027 0.000 2.775 118 I HA 0.111 4.326 4.170 0.076 0.000 0.290 118 I C 1.305 177.456 176.117 0.058 0.000 1.203 118 I CA 1.002 62.332 61.300 0.050 0.000 1.433 118 I CB 0.373 38.455 38.000 0.137 0.000 1.354 118 I HN 0.494 nan 8.210 nan 0.000 0.579 119 A N 5.550 128.402 122.820 0.052 0.000 2.531 119 A HA 0.157 4.522 4.320 0.076 0.000 0.236 119 A C 1.095 178.708 177.584 0.049 0.000 1.062 119 A CA 0.033 52.098 52.037 0.048 0.000 0.760 119 A CB -0.249 18.772 19.000 0.035 0.000 0.995 119 A HN 0.908 nan 8.150 nan 0.000 0.501 120 N N -0.597 118.129 118.700 0.043 0.000 2.863 120 N HA -0.225 4.560 4.740 0.076 0.000 0.245 120 N C 0.591 176.120 175.510 0.031 0.000 1.001 120 N CA 1.219 54.291 53.050 0.036 0.000 0.901 120 N CB -1.514 36.995 38.487 0.036 0.000 1.124 120 N HN 0.778 nan 8.380 nan 0.000 0.582 121 I N 1.780 122.368 120.570 0.029 0.000 2.208 121 I HA -0.205 4.010 4.170 0.076 0.000 0.245 121 I C 1.705 177.823 176.117 0.002 0.000 1.097 121 I CA 1.899 63.206 61.300 0.010 0.000 1.363 121 I CB -0.137 37.855 38.000 -0.013 0.000 1.051 121 I HN 0.063 nan 8.210 nan 0.000 0.413 122 D N 0.662 121.068 120.400 0.010 0.000 2.104 122 D HA -0.191 4.494 4.640 0.076 0.000 0.194 122 D C 1.867 178.173 176.300 0.009 0.000 0.994 122 D CA 1.564 55.570 54.000 0.010 0.000 0.830 122 D CB -0.441 40.373 40.800 0.024 0.000 0.959 122 D HN 0.390 nan 8.370 nan 0.000 0.452 123 D N 0.029 120.438 120.400 0.014 0.000 2.117 123 D HA -0.076 4.609 4.640 0.076 0.000 0.197 123 D C 2.295 178.601 176.300 0.009 0.000 0.987 123 D CA 0.376 54.384 54.000 0.013 0.000 0.829 123 D CB -0.247 40.563 40.800 0.017 0.000 0.961 123 D HN 0.267 nan 8.370 nan 0.000 0.460 124 I N 0.624 121.200 120.570 0.010 0.000 2.179 124 I HA -0.224 3.991 4.170 0.076 0.000 0.242 124 I C 2.371 178.486 176.117 -0.004 0.000 1.088 124 I CA 0.761 62.064 61.300 0.006 0.000 1.357 124 I CB -0.127 37.879 38.000 0.010 0.000 1.051 124 I HN -0.044 nan 8.210 nan 0.000 0.409 125 I N 0.812 121.376 120.570 -0.010 0.000 2.286 125 I HA -0.266 3.949 4.170 0.076 0.000 0.248 125 I C 2.457 178.568 176.117 -0.010 0.000 1.115 125 I CA 1.277 62.566 61.300 -0.018 0.000 1.392 125 I CB -0.424 37.560 38.000 -0.026 0.000 1.065 125 I HN 0.182 nan 8.210 nan 0.000 0.418 126 A N 0.317 123.135 122.820 -0.003 0.000 2.235 126 A HA 0.235 4.600 4.320 0.076 0.000 0.208 126 A C 1.904 179.489 177.584 0.001 0.000 1.172 126 A CA 0.842 52.879 52.037 0.000 0.000 0.786 126 A CB -0.785 18.218 19.000 0.004 0.000 0.804 126 A HN 0.606 nan 8.150 nan 0.000 0.479 127 G N -0.485 108.316 108.800 0.001 0.000 2.162 127 G HA2 -0.329 3.677 3.960 0.076 0.000 0.260 127 G HA3 -0.329 3.677 3.960 0.076 0.000 0.260 127 G C 0.931 175.835 174.900 0.006 0.000 0.976 127 G CA 0.880 45.981 45.100 0.003 0.000 0.655 127 G HN 0.588 nan 8.290 nan 0.000 0.533 128 K N -0.344 120.060 120.400 0.007 0.000 2.243 128 K HA 0.140 4.505 4.320 0.076 0.000 0.201 128 K C 0.978 177.585 176.600 0.011 0.000 1.051 128 K CA 0.820 57.112 56.287 0.009 0.000 0.970 128 K CB 0.200 32.706 32.500 0.010 0.000 0.755 128 K HN 0.355 nan 8.250 nan 0.000 0.465 129 K N 0.911 121.319 120.400 0.013 0.000 2.426 129 K HA 0.305 4.670 4.320 0.076 0.000 0.251 129 K C -2.763 173.847 176.600 0.016 0.000 0.941 129 K CA -2.317 53.980 56.287 0.016 0.000 0.808 129 K CB 2.016 34.528 32.500 0.019 0.000 1.265 129 K HN -0.189 nan 8.250 nan 0.000 0.432 130 P HA 0.015 nan 4.420 nan 0.000 0.272 130 P C -0.046 177.269 177.300 0.025 0.000 1.230 130 P CA -0.121 62.992 63.100 0.021 0.000 0.788 130 P CB 0.934 32.649 31.700 0.024 0.000 0.949 131 A N 1.895 124.728 122.820 0.023 0.000 2.019 131 A HA -0.154 4.212 4.320 0.076 0.000 0.219 131 A C 1.925 179.537 177.584 0.048 0.000 1.164 131 A CA 2.268 54.320 52.037 0.026 0.000 0.644 131 A CB -1.973 17.031 19.000 0.006 0.000 0.805 131 A HN 0.689 nan 8.150 nan 0.000 0.449 132 T N -2.289 112.296 114.554 0.052 0.000 2.977 132 T HA -0.126 4.270 4.350 0.076 0.000 0.271 132 T C 0.957 175.693 174.700 0.062 0.000 1.105 132 T CA 1.491 63.630 62.100 0.065 0.000 1.116 132 T CB -0.447 68.457 68.868 0.061 0.000 0.878 132 T HN 0.369 nan 8.240 nan 0.000 0.509 133 D N 0.541 120.971 120.400 0.050 0.000 2.363 133 D HA 0.183 4.868 4.640 0.076 0.000 0.220 133 D C 0.510 176.844 176.300 0.056 0.000 0.994 133 D CA -0.107 53.921 54.000 0.047 0.000 0.890 133 D CB -0.414 40.407 40.800 0.036 0.000 0.906 133 D HN 0.334 nan 8.370 nan 0.000 0.530 134 L N 0.509 121.776 121.223 0.072 0.000 2.514 134 L HA 0.187 4.572 4.340 0.076 0.000 0.280 134 L C 1.260 178.185 176.870 0.091 0.000 1.223 134 L CA 0.220 55.115 54.840 0.092 0.000 0.864 134 L CB 0.669 42.807 42.059 0.132 0.000 1.118 134 L HN 0.032 nan 8.230 nan 0.000 0.494 135 G N 5.392 114.242 108.800 0.084 0.000 3.180 135 G HA2 0.403 4.408 3.960 0.076 0.000 0.252 135 G HA3 0.403 4.408 3.960 0.076 0.000 0.252 135 G C -0.437 174.485 174.900 0.036 0.000 0.871 135 G CA 0.406 45.539 45.100 0.055 0.000 1.979 135 G HN 0.786 nan 8.290 nan 0.000 0.624 136 V N -2.012 117.921 119.914 0.031 0.000 2.876 136 V HA 0.969 5.134 4.120 0.076 0.000 0.312 136 V C -0.726 175.340 176.094 -0.047 0.000 1.085 136 V CA -1.451 60.797 62.300 -0.087 0.000 0.945 136 V CB 2.081 33.914 31.823 0.017 0.000 1.017 136 V HN 0.537 nan 8.190 nan 0.000 0.428 137 K N 2.552 122.864 120.400 -0.146 0.000 2.568 137 K HA 0.875 5.240 4.320 0.076 0.000 0.273 137 K C -1.050 175.546 176.600 -0.007 0.000 0.951 137 K CA -0.522 55.759 56.287 -0.011 0.000 0.854 137 K CB 2.365 34.867 32.500 0.004 0.000 1.424 137 K HN 1.334 nan 8.250 nan 0.000 0.427 138 A N 2.894 125.760 122.820 0.077 0.000 2.260 138 A HA 0.385 4.750 4.320 0.076 0.000 0.312 138 A C 0.659 178.247 177.584 0.008 0.000 1.321 138 A CA -0.920 51.118 52.037 0.003 0.000 0.928 138 A CB -0.209 18.626 19.000 -0.276 0.000 1.158 138 A HN 0.780 nan 8.150 nan 0.000 0.542 139 L N 1.028 122.249 121.223 -0.004 0.000 2.313 139 L HA 0.101 4.486 4.340 0.076 0.000 0.214 139 L C 0.452 177.340 176.870 0.030 0.000 1.119 139 L CA 0.891 55.740 54.840 0.015 0.000 0.809 139 L CB -0.527 41.535 42.059 0.005 0.000 0.933 139 L HN 0.931 nan 8.230 nan 0.000 0.449 140 D N -4.838 115.562 120.400 -0.000 0.000 2.792 140 D HA 0.043 4.728 4.640 0.076 0.000 0.335 140 D C -0.037 176.191 176.300 -0.120 0.000 1.353 140 D CA -0.631 53.373 54.000 0.007 0.000 0.839 140 D CB 0.218 41.041 40.800 0.040 0.000 1.396 140 D HN -0.341 nan 8.370 nan 0.000 0.479 141 D N -1.405 118.909 120.400 -0.142 0.000 2.228 141 D HA -0.117 4.568 4.640 0.076 0.000 0.203 141 D C 0.512 176.468 176.300 -0.574 0.000 0.988 141 D CA 1.318 55.100 54.000 -0.363 0.000 0.864 141 D CB -0.060 40.481 40.800 -0.431 0.000 0.928 141 D HN 0.403 nan 8.370 nan 0.000 0.469 142 H N -1.430 117.662 119.070 0.037 0.000 2.512 142 H HA 0.296 4.897 4.556 0.076 0.000 0.276 142 H C -0.219 175.143 175.328 0.056 0.000 1.126 142 H CA 0.076 56.151 56.048 0.046 0.000 1.060 142 H CB 0.457 30.251 29.762 0.055 0.000 1.646 142 H HN -0.124 nan 8.280 nan 0.000 0.571 143 T N 1.464 116.068 114.554 0.084 0.000 2.890 143 T HA 0.225 4.620 4.350 0.076 0.000 0.295 143 T C -1.081 173.668 174.700 0.082 0.000 0.993 143 T CA -0.507 61.631 62.100 0.064 0.000 0.979 143 T CB 1.224 70.121 68.868 0.048 0.000 0.967 143 T HN 0.068 nan 8.240 nan 0.000 0.441 144 F N 2.875 122.782 119.950 -0.072 0.000 2.444 144 F HA 0.571 5.143 4.527 0.075 0.000 0.342 144 F C 0.023 175.854 175.800 0.052 0.000 1.121 144 F CA -1.069 56.890 58.000 -0.068 0.000 0.997 144 F CB 1.103 39.979 39.000 -0.206 0.000 1.130 144 F HN 0.494 nan 8.300 nan 0.000 0.454 145 E N 5.779 125.722 120.200 -0.429 0.000 2.165 145 E HA 0.528 4.923 4.350 0.076 0.000 0.266 145 E C -1.785 174.578 176.600 -0.394 0.000 0.889 145 E CA -0.686 55.540 56.400 -0.290 0.000 0.756 145 E CB 1.762 31.364 29.700 -0.164 0.000 1.131 145 E HN 0.507 nan 8.360 nan 0.000 0.411 146 V N 3.502 123.334 119.914 -0.136 0.000 2.459 146 V HA 0.373 4.538 4.120 0.076 0.000 0.295 146 V C -0.086 176.032 176.094 0.039 0.000 1.029 146 V CA -0.595 61.676 62.300 -0.049 0.000 0.874 146 V CB 1.915 33.884 31.823 0.243 0.000 0.985 146 V HN 0.698 nan 8.190 nan 0.000 0.438 147 T N 6.382 120.938 114.554 0.003 0.000 2.770 147 T HA 0.622 5.018 4.350 0.076 0.000 0.283 147 T C -0.289 174.410 174.700 -0.001 0.000 0.988 147 T CA -0.269 61.836 62.100 0.008 0.000 0.957 147 T CB 0.677 69.542 68.868 -0.006 0.000 0.930 147 T HN 0.349 nan 8.240 nan 0.000 0.443 148 L N 2.096 123.313 121.223 -0.011 0.000 2.375 148 L HA 0.439 4.825 4.340 0.076 0.000 0.268 148 L C 1.562 178.439 176.870 0.012 0.000 1.058 148 L CA -0.816 54.008 54.840 -0.027 0.000 0.803 148 L CB 1.294 43.306 42.059 -0.078 0.000 1.212 148 L HN 0.706 nan 8.230 nan 0.000 0.451 149 S N -1.210 114.511 115.700 0.036 0.000 2.603 149 S HA 0.172 4.687 4.470 0.076 0.000 0.220 149 S C 0.254 174.853 174.600 -0.002 0.000 0.967 149 S CA -0.146 58.071 58.200 0.027 0.000 0.920 149 S CB -0.137 63.095 63.200 0.054 0.000 0.773 149 S HN 0.655 nan 8.310 nan 0.000 0.529 150 E N 0.460 120.644 120.200 -0.026 0.000 2.423 150 E HA 0.390 4.786 4.350 0.076 0.000 0.280 150 E C -3.428 173.161 176.600 -0.018 0.000 1.030 150 E CA -2.292 54.076 56.400 -0.053 0.000 0.812 150 E CB 0.587 30.201 29.700 -0.144 0.000 1.313 150 E HN -0.040 nan 8.360 nan 0.000 0.456 151 P HA 0.135 nan 4.420 nan 0.000 0.271 151 P C -0.595 176.737 177.300 0.053 0.000 1.220 151 P CA -0.141 63.039 63.100 0.133 0.000 0.768 151 P CB 0.443 32.252 31.700 0.182 0.000 0.848 152 V N 6.848 126.839 119.914 0.129 0.000 2.380 152 V HA 0.177 4.342 4.120 0.076 0.000 0.272 152 V C -1.737 174.334 176.094 -0.039 0.000 1.011 152 V CA -1.252 60.961 62.300 -0.145 0.000 0.826 152 V CB 1.661 33.349 31.823 -0.225 0.000 1.040 152 V HN 0.421 nan 8.190 nan 0.000 0.441 153 P HA -0.104 nan 4.420 nan 0.000 0.219 153 P C 1.096 178.489 177.300 0.155 0.000 1.150 153 P CA 1.142 64.050 63.100 -0.319 0.000 0.814 153 P CB 0.005 31.301 31.700 -0.674 0.000 0.787 154 Y N -3.941 116.415 120.300 0.093 0.000 2.471 154 Y HA 0.261 4.856 4.550 0.075 0.000 0.286 154 Y C 1.775 177.535 175.900 -0.233 0.000 1.188 154 Y CA -0.929 57.145 58.100 -0.044 0.000 1.286 154 Y CB -1.603 36.834 38.460 -0.037 0.000 1.072 154 Y HN -0.190 nan 8.280 nan 0.000 0.517 155 F N 2.489 122.175 119.950 -0.440 0.000 2.087 155 F HA -0.305 4.269 4.527 0.079 0.000 0.299 155 F C 2.365 177.816 175.800 -0.582 0.000 1.100 155 F CA 1.827 59.461 58.000 -0.611 0.000 1.226 155 F CB -0.907 37.573 39.000 -0.865 0.000 0.983 155 F HN 0.310 nan 8.300 nan 0.000 0.479 156 Y N -0.066 119.813 120.300 -0.701 0.000 2.384 156 Y HA -0.088 4.504 4.550 0.071 0.000 0.289 156 Y C 1.989 177.684 175.900 -0.340 0.000 1.152 156 Y CA 1.297 59.062 58.100 -0.559 0.000 1.258 156 Y CB -1.474 36.856 38.460 -0.217 0.000 0.979 156 Y HN 0.048 nan 8.280 nan 0.000 0.549 157 K N 0.197 120.039 120.400 -0.929 0.000 2.147 157 K HA -0.088 4.277 4.320 0.076 0.000 0.205 157 K C 1.653 178.090 176.600 -0.272 0.000 1.049 157 K CA 1.353 57.339 56.287 -0.503 0.000 0.936 157 K CB -0.246 32.031 32.500 -0.372 0.000 0.722 157 K HN 0.269 nan 8.250 nan 0.000 0.446 158 L N 0.774 121.699 121.223 -0.497 0.000 2.201 158 L HA -0.114 4.271 4.340 0.076 0.000 0.212 158 L C 1.741 178.567 176.870 -0.073 0.000 1.105 158 L CA 1.362 55.986 54.840 -0.359 0.000 0.775 158 L CB -0.342 41.294 42.059 -0.705 0.000 0.913 158 L HN 0.146 nan 8.230 nan 0.000 0.440 159 L N -0.787 120.304 121.223 -0.219 0.000 2.622 159 L HA -0.052 4.333 4.340 0.076 0.000 0.233 159 L C 2.021 178.901 176.870 0.017 0.000 1.156 159 L CA 0.208 54.973 54.840 -0.124 0.000 0.866 159 L CB -0.623 41.266 42.059 -0.283 0.000 0.980 159 L HN 0.259 nan 8.230 nan 0.000 0.448 160 V N -4.522 115.434 119.914 0.071 0.000 3.573 160 V HA -0.021 4.144 4.120 0.076 0.000 0.270 160 V C 1.275 177.435 176.094 0.109 0.000 1.221 160 V CA 0.174 62.553 62.300 0.131 0.000 1.163 160 V CB -1.004 30.922 31.823 0.172 0.000 0.847 160 V HN 0.340 nan 8.190 nan 0.000 0.468 161 H N 1.579 120.623 119.070 -0.042 0.000 2.652 161 H HA 0.258 4.859 4.556 0.074 0.000 0.349 161 H C -1.852 173.334 175.328 -0.238 0.000 1.099 161 H CA -1.441 54.475 56.048 -0.218 0.000 1.417 161 H CB 2.179 31.662 29.762 -0.464 0.000 1.457 161 H HN 0.098 nan 8.280 nan 0.000 0.568 162 P HA -0.163 nan 4.420 nan 0.000 0.219 162 P C 1.473 178.593 177.300 -0.300 0.000 1.146 162 P CA 1.709 64.558 63.100 -0.420 0.000 0.808 162 P CB 0.126 31.526 31.700 -0.500 0.000 0.779 163 S N -0.965 114.529 115.700 -0.343 0.000 2.474 163 S HA -0.079 4.437 4.470 0.076 0.000 0.235 163 S C 1.498 176.064 174.600 -0.057 0.000 0.997 163 S CA 1.196 59.316 58.200 -0.133 0.000 0.949 163 S CB -1.469 61.605 63.200 -0.209 0.000 0.766 163 S HN 0.149 nan 8.310 nan 0.000 0.517 164 V N -1.178 118.683 119.914 -0.087 0.000 3.342 164 V HA 0.425 4.591 4.120 0.076 0.000 0.322 164 V C 0.353 176.659 176.094 0.352 0.000 1.370 164 V CA -0.663 61.618 62.300 -0.031 0.000 1.170 164 V CB -0.708 30.945 31.823 -0.283 0.000 1.101 164 V HN 0.261 nan 8.190 nan 0.000 0.442 165 S N 3.343 119.145 115.700 0.169 0.000 2.601 165 S HA 0.475 4.990 4.470 0.076 0.000 0.271 165 S C -2.212 172.414 174.600 0.043 0.000 1.305 165 S CA -0.545 57.750 58.200 0.159 0.000 1.022 165 S CB 1.141 64.399 63.200 0.097 0.000 0.940 165 S HN 0.490 nan 8.310 nan 0.000 0.525 166 P HA 0.320 nan 4.420 nan 0.000 0.277 166 P C -0.932 176.418 177.300 0.083 0.000 1.240 166 P CA -0.429 62.535 63.100 -0.226 0.000 0.798 166 P CB 0.720 32.035 31.700 -0.641 0.000 0.979 167 V N -2.073 117.886 119.914 0.076 0.000 2.914 167 V HA 0.659 4.825 4.120 0.076 0.000 0.314 167 V C -2.661 173.360 176.094 -0.122 0.000 1.084 167 V CA -3.012 59.245 62.300 -0.072 0.000 0.963 167 V CB 1.807 33.365 31.823 -0.441 0.000 1.025 167 V HN 0.374 nan 8.190 nan 0.000 0.432 168 P HA 0.272 nan 4.420 nan 0.000 0.280 168 P C 0.259 177.206 177.300 -0.588 0.000 1.386 168 P CA -0.292 62.325 63.100 -0.805 0.000 0.899 168 P CB 1.451 32.552 31.700 -0.999 0.000 1.098 169 K N 3.238 123.303 120.400 -0.558 0.000 2.089 169 K HA -0.207 4.158 4.320 0.076 0.000 0.210 169 K C 1.888 178.193 176.600 -0.491 0.000 1.048 169 K CA 2.449 58.279 56.287 -0.762 0.000 0.926 169 K CB -0.206 31.606 32.500 -1.147 0.000 0.714 169 K HN 0.445 nan 8.250 nan 0.000 0.448 170 S N 0.045 115.508 115.700 -0.395 0.000 2.368 170 S HA -0.115 4.401 4.470 0.076 0.000 0.225 170 S C 2.180 176.673 174.600 -0.179 0.000 1.030 170 S CA 1.002 59.045 58.200 -0.262 0.000 0.999 170 S CB -0.368 62.706 63.200 -0.210 0.000 0.844 170 S HN 0.413 nan 8.310 nan 0.000 0.459 171 A N 1.513 124.257 122.820 -0.127 0.000 1.898 171 A HA 0.127 4.493 4.320 0.076 0.000 0.216 171 A C 2.426 180.083 177.584 0.122 0.000 1.181 171 A CA 1.456 53.582 52.037 0.148 0.000 0.620 171 A CB -1.141 18.005 19.000 0.243 0.000 0.819 171 A HN 0.436 nan 8.150 nan 0.000 0.442 172 V N 0.400 120.160 119.914 -0.258 0.000 2.220 172 V HA -0.308 3.857 4.120 0.076 0.000 0.246 172 V C 2.488 178.537 176.094 -0.075 0.000 1.049 172 V CA 2.407 64.510 62.300 -0.329 0.000 1.003 172 V CB -0.925 30.619 31.823 -0.466 0.000 0.634 172 V HN 0.629 nan 8.190 nan 0.000 0.444 173 E N -0.191 119.933 120.200 -0.126 0.000 2.085 173 E HA -0.316 4.079 4.350 0.076 0.000 0.194 173 E C 2.265 178.798 176.600 -0.112 0.000 0.994 173 E CA 1.727 58.070 56.400 -0.096 0.000 0.801 173 E CB -0.171 29.443 29.700 -0.144 0.000 0.743 173 E HN 0.544 nan 8.360 nan 0.000 0.453 174 K N 0.001 120.283 120.400 -0.197 0.000 2.062 174 K HA -0.079 4.286 4.320 0.076 0.000 0.205 174 K C 1.319 177.652 176.600 -0.445 0.000 1.051 174 K CA 1.071 57.113 56.287 -0.409 0.000 0.941 174 K CB 0.087 32.185 32.500 -0.669 0.000 0.719 174 K HN -0.001 nan 8.250 nan 0.000 0.440 175 F N 0.056 120.051 119.950 0.075 0.000 2.678 175 F HA 0.331 4.904 4.527 0.076 0.000 0.305 175 F C 1.356 177.245 175.800 0.148 0.000 1.090 175 F CA 0.159 58.227 58.000 0.115 0.000 1.272 175 F CB 0.469 39.562 39.000 0.154 0.000 1.060 175 F HN 0.267 nan 8.300 nan 0.000 0.576 176 G N 1.908 110.874 108.800 0.278 0.000 2.611 176 G HA2 -0.457 3.548 3.960 0.076 0.000 0.301 176 G HA3 -0.457 3.548 3.960 0.076 0.000 0.301 176 G C 1.096 176.215 174.900 0.366 0.000 1.233 176 G CA 0.745 45.995 45.100 0.250 0.000 0.993 176 G HN 0.371 nan 8.290 nan 0.000 0.553 177 D N 0.700 121.252 120.400 0.253 0.000 2.265 177 D HA -0.080 4.606 4.640 0.076 0.000 0.208 177 D C 1.798 178.179 176.300 0.135 0.000 0.977 177 D CA 1.769 55.887 54.000 0.196 0.000 0.871 177 D CB -0.257 40.609 40.800 0.111 0.000 0.925 177 D HN 0.659 nan 8.370 nan 0.000 0.485 178 K N 0.312 120.815 120.400 0.172 0.000 2.387 178 K HA 0.086 4.451 4.320 0.076 0.000 0.198 178 K C 1.734 178.392 176.600 0.097 0.000 1.022 178 K CA -0.228 56.109 56.287 0.084 0.000 1.128 178 K CB -0.169 32.379 32.500 0.081 0.000 0.853 178 K HN 0.344 nan 8.250 nan 0.000 0.523 179 W N 1.742 123.119 121.300 0.129 0.000 2.364 179 W HA -0.196 4.509 4.660 0.074 0.000 0.281 179 W C 0.890 177.453 176.519 0.073 0.000 1.219 179 W CA 1.692 59.111 57.345 0.124 0.000 1.220 179 W CB -0.959 28.608 29.460 0.177 0.000 1.127 179 W HN 0.007 nan 8.180 nan 0.000 0.556 180 T N -0.941 113.282 114.554 -0.552 0.000 3.129 180 T HA 0.025 4.420 4.350 0.076 0.000 0.251 180 T C 0.894 175.537 174.700 -0.094 0.000 1.117 180 T CA 0.027 61.803 62.100 -0.541 0.000 1.034 180 T CB -0.125 68.363 68.868 -0.634 0.000 0.968 180 T HN -0.085 nan 8.240 nan 0.000 0.526 181 Q N 1.828 121.587 119.800 -0.068 0.000 2.454 181 Q HA 0.226 4.611 4.340 0.076 0.000 0.247 181 Q C -1.643 174.350 176.000 -0.012 0.000 1.028 181 Q CA -2.225 53.570 55.803 -0.013 0.000 0.910 181 Q CB 1.003 29.688 28.738 -0.088 0.000 1.276 181 Q HN 0.122 nan 8.270 nan 0.000 0.489 182 P HA -0.123 nan 4.420 nan 0.000 0.216 182 P C 0.443 177.731 177.300 -0.019 0.000 1.150 182 P CA 1.847 64.960 63.100 0.022 0.000 0.837 182 P CB 0.210 31.938 31.700 0.046 0.000 0.786 183 A N -1.168 121.616 122.820 -0.061 0.000 2.119 183 A HA -0.086 4.280 4.320 0.076 0.000 0.216 183 A C 1.737 179.224 177.584 -0.163 0.000 1.152 183 A CA 1.374 53.359 52.037 -0.086 0.000 0.708 183 A CB -1.156 17.793 19.000 -0.084 0.000 0.805 183 A HN 0.261 nan 8.150 nan 0.000 0.460 184 N N -1.409 117.144 118.700 -0.244 0.000 2.463 184 N HA 0.259 5.044 4.740 0.076 0.000 0.183 184 N C 0.429 175.920 175.510 -0.031 0.000 1.064 184 N CA -0.294 52.529 53.050 -0.379 0.000 0.879 184 N CB 0.452 38.450 38.487 -0.814 0.000 1.148 184 N HN 0.427 nan 8.380 nan 0.000 0.451 185 I N 2.183 122.780 120.570 0.046 0.000 2.813 185 I HA 0.018 4.233 4.170 0.076 0.000 0.287 185 I C -0.778 175.468 176.117 0.215 0.000 1.196 185 I CA 0.117 61.545 61.300 0.214 0.000 1.421 185 I CB 0.671 38.731 38.000 0.099 0.000 1.365 185 I HN -0.238 nan 8.210 nan 0.000 0.591 186 V N 5.852 125.959 119.914 0.322 0.000 2.588 186 V HA 0.491 4.656 4.120 0.076 0.000 0.304 186 V C -0.150 176.188 176.094 0.408 0.000 1.042 186 V CA -0.413 62.035 62.300 0.246 0.000 0.877 186 V CB 2.072 33.938 31.823 0.071 0.000 0.996 186 V HN 0.896 nan 8.190 nan 0.000 0.425 187 T N 0.041 114.813 114.554 0.362 0.000 2.901 187 T HA 0.475 4.871 4.350 0.076 0.000 0.293 187 T C 0.071 174.941 174.700 0.284 0.000 1.084 187 T CA -0.657 61.569 62.100 0.211 0.000 1.008 187 T CB 2.085 70.778 68.868 -0.291 0.000 1.170 187 T HN 0.647 nan 8.240 nan 0.000 0.509 188 N N -0.492 118.215 118.700 0.012 0.000 2.170 188 N HA 0.215 5.001 4.740 0.076 0.000 0.222 188 N C 0.594 176.096 175.510 -0.012 0.000 1.218 188 N CA -0.340 52.644 53.050 -0.111 0.000 0.889 188 N CB 0.462 38.570 38.487 -0.632 0.000 1.083 188 N HN 0.826 nan 8.380 nan 0.000 0.520 189 G N 0.020 108.737 108.800 -0.138 0.000 2.525 189 G HA2 0.513 4.518 3.960 0.076 0.000 0.287 189 G HA3 0.513 4.518 3.960 0.076 0.000 0.287 189 G C 0.798 175.312 174.900 -0.642 0.000 1.350 189 G CA -0.033 44.896 45.100 -0.284 0.000 1.039 189 G HN 0.206 nan 8.290 nan 0.000 0.513 190 A N -1.676 120.542 122.820 -1.004 0.000 2.172 190 A HA 0.284 4.649 4.320 0.076 0.000 0.216 190 A C 0.308 177.378 177.584 -0.856 0.000 1.154 190 A CA 0.865 52.225 52.037 -1.129 0.000 0.701 190 A CB -0.358 18.075 19.000 -0.945 0.000 0.789 190 A HN 0.457 nan 8.150 nan 0.000 0.465 191 Y N -1.361 118.794 120.300 -0.241 0.000 2.598 191 Y HA 0.590 5.182 4.550 0.072 0.000 0.340 191 Y C 0.204 176.023 175.900 -0.135 0.000 1.038 191 Y CA -0.960 57.058 58.100 -0.137 0.000 1.100 191 Y CB 1.574 39.973 38.460 -0.102 0.000 1.281 191 Y HN -0.101 nan 8.280 nan 0.000 0.488 192 K N 1.123 121.562 120.400 0.065 0.000 2.385 192 K HA 0.472 4.837 4.320 0.076 0.000 0.248 192 K C -1.752 174.860 176.600 0.019 0.000 0.955 192 K CA -1.208 55.086 56.287 0.012 0.000 0.816 192 K CB 2.617 35.134 32.500 0.028 0.000 1.250 192 K HN 0.401 nan 8.250 nan 0.000 0.434 193 L N 2.926 124.140 121.223 -0.015 0.000 2.361 193 L HA 0.131 4.516 4.340 0.076 0.000 0.278 193 L C 1.010 177.893 176.870 0.022 0.000 1.113 193 L CA 0.793 55.625 54.840 -0.014 0.000 0.849 193 L CB 0.531 42.571 42.059 -0.032 0.000 1.155 193 L HN 0.670 nan 8.230 nan 0.000 0.452 194 K N 3.404 123.823 120.400 0.032 0.000 2.121 194 K HA 0.163 4.529 4.320 0.076 0.000 0.203 194 K C 0.244 176.875 176.600 0.052 0.000 1.041 194 K CA 0.228 56.540 56.287 0.041 0.000 0.969 194 K CB 0.336 32.860 32.500 0.041 0.000 0.799 194 K HN 0.724 nan 8.250 nan 0.000 0.456 195 N N -0.903 117.837 118.700 0.066 0.000 2.277 195 N HA 0.116 4.901 4.740 0.076 0.000 0.286 195 N C -2.232 173.387 175.510 0.182 0.000 1.140 195 N CA -0.441 52.669 53.050 0.101 0.000 0.799 195 N CB 1.835 40.367 38.487 0.075 0.000 1.596 195 N HN 0.043 nan 8.380 nan 0.000 0.473 196 W N 3.726 125.011 121.300 -0.025 0.000 2.740 196 W HA 0.419 5.126 4.660 0.079 0.000 0.316 196 W C -1.991 174.512 176.519 -0.026 0.000 1.020 196 W CA -0.559 56.769 57.345 -0.028 0.000 1.278 196 W CB 0.114 29.547 29.460 -0.046 0.000 1.224 196 W HN 0.038 nan 8.180 nan 0.000 0.393 197 V N 6.695 126.780 119.914 0.285 0.000 2.334 197 V HA 0.246 4.412 4.120 0.076 0.000 0.281 197 V C 0.368 176.526 176.094 0.106 0.000 1.016 197 V CA -1.002 61.343 62.300 0.076 0.000 0.832 197 V CB 1.134 32.995 31.823 0.063 0.000 0.999 197 V HN 0.179 nan 8.190 nan 0.000 0.439 198 V N 5.745 125.610 119.914 -0.081 0.000 2.644 198 V HA -0.000 4.165 4.120 0.076 0.000 0.305 198 V C 1.261 177.382 176.094 0.046 0.000 1.053 198 V CA 0.947 63.235 62.300 -0.020 0.000 1.186 198 V CB -0.594 31.131 31.823 -0.164 0.000 0.895 198 V HN 1.152 nan 8.190 nan 0.000 0.490 199 N N 1.534 120.292 118.700 0.096 0.000 2.800 199 N HA -0.225 4.560 4.740 0.076 0.000 0.250 199 N C 1.111 176.653 175.510 0.052 0.000 1.078 199 N CA 1.113 54.200 53.050 0.062 0.000 0.804 199 N CB -0.428 38.080 38.487 0.034 0.000 1.135 199 N HN 0.930 nan 8.380 nan 0.000 0.565 200 E N 0.513 120.756 120.200 0.073 0.000 3.100 200 E HA 0.138 4.534 4.350 0.076 0.000 0.191 200 E C 0.009 176.650 176.600 0.069 0.000 1.097 200 E CA 0.171 56.605 56.400 0.056 0.000 1.339 200 E CB 0.904 30.631 29.700 0.045 0.000 1.330 200 E HN 0.366 nan 8.360 nan 0.000 0.511 201 R N -0.071 120.494 120.500 0.109 0.000 2.728 201 R HA 0.475 4.861 4.340 0.076 0.000 0.274 201 R C -1.630 174.752 176.300 0.136 0.000 1.032 201 R CA -0.710 55.447 56.100 0.094 0.000 0.866 201 R CB 0.551 30.884 30.300 0.056 0.000 1.263 201 R HN 0.017 nan 8.270 nan 0.000 0.475 202 I N 1.803 122.416 120.570 0.072 0.000 2.466 202 I HA 0.406 4.621 4.170 0.076 0.000 0.289 202 I C -0.850 175.288 176.117 0.035 0.000 1.026 202 I CA -1.240 60.064 61.300 0.008 0.000 1.078 202 I CB 2.363 40.261 38.000 -0.170 0.000 1.249 202 I HN 0.306 nan 8.210 nan 0.000 0.429 203 V N 7.215 127.146 119.914 0.029 0.000 2.448 203 V HA 0.495 4.661 4.120 0.076 0.000 0.295 203 V C -0.129 175.975 176.094 0.017 0.000 1.025 203 V CA -0.537 61.775 62.300 0.020 0.000 0.859 203 V CB 1.950 33.788 31.823 0.024 0.000 0.988 203 V HN 0.465 nan 8.190 nan 0.000 0.431 204 L N 4.997 126.226 121.223 0.010 0.000 2.334 204 L HA 0.728 5.113 4.340 0.076 0.000 0.276 204 L C -0.075 176.862 176.870 0.111 0.000 1.014 204 L CA -0.540 54.322 54.840 0.036 0.000 0.815 204 L CB 2.067 44.112 42.059 -0.023 0.000 1.268 204 L HN 0.803 nan 8.230 nan 0.000 0.428 205 E N 2.482 122.791 120.200 0.180 0.000 2.312 205 E HA 0.412 4.807 4.350 0.076 0.000 0.267 205 E C -0.761 175.975 176.600 0.227 0.000 0.894 205 E CA -1.100 55.418 56.400 0.197 0.000 0.773 205 E CB 2.220 31.976 29.700 0.094 0.000 1.241 205 E HN 0.464 nan 8.360 nan 0.000 0.432 206 R N 1.821 122.401 120.500 0.133 0.000 2.566 206 R HA -0.095 4.291 4.340 0.076 0.000 0.273 206 R C -0.639 175.584 176.300 -0.129 0.000 0.981 206 R CA 0.153 56.144 56.100 -0.182 0.000 1.091 206 R CB 0.241 30.465 30.300 -0.127 0.000 0.924 206 R HN 0.610 nan 8.270 nan 0.000 0.411 207 N N 5.925 124.489 118.700 -0.227 0.000 2.462 207 N HA 0.177 4.963 4.740 0.076 0.000 0.242 207 N C -1.956 173.533 175.510 -0.036 0.000 1.010 207 N CA -2.369 50.630 53.050 -0.086 0.000 0.939 207 N CB 1.479 39.913 38.487 -0.089 0.000 1.127 207 N HN 0.389 nan 8.380 nan 0.000 0.509 208 P HA -0.089 nan 4.420 nan 0.000 0.226 208 P C 0.427 177.752 177.300 0.041 0.000 1.153 208 P CA 0.962 64.069 63.100 0.012 0.000 0.777 208 P CB 0.525 32.234 31.700 0.015 0.000 0.794 209 Q N -1.480 118.362 119.800 0.070 0.000 2.451 209 Q HA -0.022 4.363 4.340 0.076 0.000 0.206 209 Q C 0.534 176.608 176.000 0.122 0.000 0.947 209 Q CA -0.136 55.725 55.803 0.096 0.000 0.937 209 Q CB -0.739 28.073 28.738 0.125 0.000 1.025 209 Q HN 0.336 nan 8.270 nan 0.000 0.511 210 Y N 2.384 122.661 120.300 -0.037 0.000 2.712 210 Y HA -0.193 4.400 4.550 0.071 0.000 0.333 210 Y C 1.343 177.207 175.900 -0.060 0.000 1.225 210 Y CA -0.452 57.599 58.100 -0.081 0.000 1.499 210 Y CB 0.306 38.638 38.460 -0.214 0.000 1.288 210 Y HN 0.243 nan 8.280 nan 0.000 0.575 211 W N 4.085 125.032 121.300 -0.589 0.000 2.342 211 W HA -0.170 4.533 4.660 0.072 0.000 0.297 211 W C 0.277 176.480 176.519 -0.526 0.000 1.213 211 W CA 1.310 58.377 57.345 -0.464 0.000 1.251 211 W CB -0.362 28.883 29.460 -0.359 0.000 1.136 211 W HN 0.527 nan 8.180 nan 0.000 0.526 212 D N 0.862 120.107 120.400 -1.925 0.000 2.395 212 D HA -0.022 4.663 4.640 0.076 0.000 0.226 212 D C 1.459 177.444 176.300 -0.525 0.000 1.146 212 D CA 0.042 53.274 54.000 -1.280 0.000 0.830 212 D CB -0.663 39.033 40.800 -1.840 0.000 0.958 212 D HN 0.016 nan 8.370 nan 0.000 0.501 213 N N 0.441 118.958 118.700 -0.306 0.000 2.137 213 N HA -0.218 4.568 4.740 0.076 0.000 0.190 213 N C 1.655 177.120 175.510 -0.075 0.000 1.017 213 N CA 1.674 54.681 53.050 -0.072 0.000 0.859 213 N CB -0.032 38.435 38.487 -0.034 0.000 1.002 213 N HN 0.166 nan 8.380 nan 0.000 0.428 214 A N -0.018 122.750 122.820 -0.086 0.000 2.070 214 A HA -0.110 4.255 4.320 0.076 0.000 0.220 214 A C 1.920 179.476 177.584 -0.047 0.000 1.159 214 A CA 1.295 53.301 52.037 -0.052 0.000 0.656 214 A CB -0.269 18.707 19.000 -0.039 0.000 0.800 214 A HN 0.399 nan 8.150 nan 0.000 0.453 215 K N -0.593 119.767 120.400 -0.066 0.000 2.393 215 K HA 0.064 4.429 4.320 0.076 0.000 0.193 215 K C -0.111 176.484 176.600 -0.009 0.000 1.026 215 K CA 0.134 56.398 56.287 -0.038 0.000 1.064 215 K CB 0.153 32.621 32.500 -0.052 0.000 0.833 215 K HN 0.291 nan 8.250 nan 0.000 0.521 216 T N 0.941 115.484 114.554 -0.019 0.000 2.916 216 T HA 0.048 4.443 4.350 0.076 0.000 0.303 216 T C 1.223 175.942 174.700 0.030 0.000 1.025 216 T CA -0.091 62.008 62.100 -0.002 0.000 1.142 216 T CB 1.666 70.480 68.868 -0.090 0.000 0.947 216 T HN -0.180 nan 8.240 nan 0.000 0.544 217 V N 2.711 122.679 119.914 0.090 0.000 2.996 217 V HA 0.179 4.345 4.120 0.076 0.000 0.235 217 V C 0.873 177.045 176.094 0.130 0.000 1.205 217 V CA 0.125 62.488 62.300 0.105 0.000 1.225 217 V CB 0.221 32.128 31.823 0.140 0.000 0.995 217 V HN 0.710 nan 8.190 nan 0.000 0.484 218 I N 2.655 123.337 120.570 0.187 0.000 2.533 218 I HA 0.098 4.313 4.170 0.076 0.000 0.284 218 I C 0.983 177.240 176.117 0.234 0.000 1.109 218 I CA 0.551 61.966 61.300 0.191 0.000 1.412 218 I CB 0.503 38.613 38.000 0.183 0.000 1.396 218 I HN 0.309 nan 8.210 nan 0.000 0.543 219 N N 4.277 123.071 118.700 0.157 0.000 2.415 219 N HA -0.014 4.771 4.740 0.076 0.000 0.176 219 N C 0.416 176.040 175.510 0.190 0.000 1.042 219 N CA 0.516 53.652 53.050 0.144 0.000 0.902 219 N CB 0.594 39.125 38.487 0.074 0.000 0.986 219 N HN 0.643 nan 8.380 nan 0.000 0.447 220 Q N 0.380 120.264 119.800 0.140 0.000 2.320 220 Q HA 0.413 4.798 4.340 0.076 0.000 0.272 220 Q C -2.153 173.820 176.000 -0.045 0.000 1.023 220 Q CA -0.425 55.419 55.803 0.067 0.000 0.855 220 Q CB 2.456 31.215 28.738 0.035 0.000 1.367 220 Q HN -0.104 nan 8.270 nan 0.000 0.406 221 V N 2.779 122.607 119.914 -0.143 0.000 2.709 221 V HA 0.694 4.859 4.120 0.076 0.000 0.308 221 V C -1.308 174.655 176.094 -0.219 0.000 1.062 221 V CA -0.051 62.094 62.300 -0.258 0.000 0.901 221 V CB 2.408 33.969 31.823 -0.436 0.000 1.003 221 V HN 0.876 nan 8.190 nan 0.000 0.425 222 T N 6.670 121.077 114.554 -0.244 0.000 2.794 222 T HA 0.581 4.976 4.350 0.076 0.000 0.280 222 T C -1.217 173.292 174.700 -0.318 0.000 0.987 222 T CA 0.064 62.063 62.100 -0.168 0.000 0.993 222 T CB 0.926 69.734 68.868 -0.101 0.000 0.939 222 T HN 0.556 nan 8.240 nan 0.000 0.449 223 Y N 2.464 122.696 120.300 -0.114 0.000 2.328 223 Y HA 0.529 5.123 4.550 0.073 0.000 0.337 223 Y C 0.229 176.075 175.900 -0.091 0.000 1.008 223 Y CA -0.858 57.171 58.100 -0.118 0.000 1.129 223 Y CB 0.822 39.186 38.460 -0.159 0.000 1.185 223 Y HN 0.406 nan 8.280 nan 0.000 0.476 224 L N 5.999 127.240 121.223 0.029 0.000 2.358 224 L HA 0.524 4.909 4.340 0.076 0.000 0.268 224 L C -1.981 174.880 176.870 -0.015 0.000 1.032 224 L CA -1.954 52.892 54.840 0.009 0.000 0.805 224 L CB 1.898 43.950 42.059 -0.012 0.000 1.253 224 L HN 0.428 nan 8.230 nan 0.000 0.452 225 P HA 0.281 nan 4.420 nan 0.000 0.269 225 P C -0.479 176.776 177.300 -0.074 0.000 1.857 225 P CA -0.083 62.982 63.100 -0.058 0.000 1.213 225 P CB 0.035 31.737 31.700 0.003 0.000 1.702 226 I N 1.098 121.620 120.570 -0.079 0.000 2.379 226 I HA 0.060 4.276 4.170 0.076 0.000 0.290 226 I C 1.665 177.729 176.117 -0.088 0.000 1.063 226 I CA 0.071 61.336 61.300 -0.058 0.000 1.351 226 I CB 1.030 39.014 38.000 -0.028 0.000 1.410 226 I HN 0.011 nan 8.210 nan 0.000 0.505 227 S N 2.213 117.873 115.700 -0.067 0.000 2.503 227 S HA -0.011 4.504 4.470 0.076 0.000 0.217 227 S C 1.009 175.590 174.600 -0.032 0.000 0.999 227 S CA -0.316 57.840 58.200 -0.073 0.000 0.914 227 S CB 0.102 63.275 63.200 -0.045 0.000 0.782 227 S HN 0.604 nan 8.310 nan 0.000 0.520 228 S N 1.481 117.171 115.700 -0.017 0.000 2.430 228 S HA 0.219 4.735 4.470 0.076 0.000 0.282 228 S C 0.722 175.318 174.600 -0.007 0.000 1.186 228 S CA -0.513 57.683 58.200 -0.006 0.000 1.060 228 S CB 0.537 63.738 63.200 0.002 0.000 0.966 228 S HN 0.354 nan 8.310 nan 0.000 0.501 229 E N 3.627 123.820 120.200 -0.012 0.000 2.118 229 E HA -0.104 4.292 4.350 0.076 0.000 0.195 229 E C 1.924 178.523 176.600 -0.002 0.000 0.992 229 E CA 1.208 57.605 56.400 -0.005 0.000 0.804 229 E CB -0.243 29.442 29.700 -0.026 0.000 0.741 229 E HN 0.583 nan 8.360 nan 0.000 0.458 230 V N 0.695 120.607 119.914 -0.003 0.000 2.295 230 V HA -0.289 3.876 4.120 0.076 0.000 0.246 230 V C 2.137 178.238 176.094 0.012 0.000 1.049 230 V CA 2.249 64.552 62.300 0.004 0.000 1.024 230 V CB -0.750 31.075 31.823 0.003 0.000 0.648 230 V HN 0.358 nan 8.190 nan 0.000 0.447 231 T N -0.659 113.902 114.554 0.011 0.000 2.777 231 T HA -0.203 4.192 4.350 0.076 0.000 0.266 231 T C 1.782 176.497 174.700 0.025 0.000 1.040 231 T CA 1.648 63.758 62.100 0.016 0.000 1.141 231 T CB -0.385 68.489 68.868 0.011 0.000 0.868 231 T HN 0.537 nan 8.240 nan 0.000 0.444 232 D N 1.050 121.463 120.400 0.021 0.000 2.092 232 D HA -0.100 4.585 4.640 0.076 0.000 0.193 232 D C 2.157 178.489 176.300 0.053 0.000 0.994 232 D CA 0.913 54.933 54.000 0.033 0.000 0.828 232 D CB -0.496 40.320 40.800 0.026 0.000 0.963 232 D HN 0.184 nan 8.370 nan 0.000 0.450 233 V N 1.171 121.102 119.914 0.028 0.000 2.332 233 V HA -0.248 3.917 4.120 0.076 0.000 0.248 233 V C 2.266 178.417 176.094 0.094 0.000 1.055 233 V CA 1.819 64.140 62.300 0.034 0.000 1.038 233 V CB -0.659 31.162 31.823 -0.004 0.000 0.651 233 V HN 0.247 nan 8.190 nan 0.000 0.450 234 N N 0.440 119.176 118.700 0.061 0.000 2.104 234 N HA -0.174 4.612 4.740 0.076 0.000 0.190 234 N C 1.993 177.545 175.510 0.071 0.000 1.024 234 N CA 1.452 54.538 53.050 0.059 0.000 0.853 234 N CB -0.381 38.128 38.487 0.035 0.000 1.008 234 N HN 0.444 nan 8.380 nan 0.000 0.424 235 R N -0.615 119.928 120.500 0.071 0.000 2.189 235 R HA -0.026 4.359 4.340 0.076 0.000 0.218 235 R C 1.890 178.239 176.300 0.081 0.000 1.074 235 R CA 0.384 56.520 56.100 0.060 0.000 0.991 235 R CB -0.269 30.058 30.300 0.044 0.000 0.883 235 R HN 0.341 nan 8.270 nan 0.000 0.457 236 Y N 1.117 121.409 120.300 -0.014 0.000 2.133 236 Y HA -0.150 4.444 4.550 0.073 0.000 0.287 236 Y C 1.787 177.679 175.900 -0.013 0.000 1.134 236 Y CA 1.513 59.597 58.100 -0.026 0.000 1.133 236 Y CB 0.142 38.571 38.460 -0.051 0.000 0.987 236 Y HN -0.166 nan 8.280 nan 0.000 0.502 237 R N -0.158 120.442 120.500 0.166 0.000 2.235 237 R HA -0.061 4.325 4.340 0.076 0.000 0.213 237 R C 2.381 178.687 176.300 0.011 0.000 1.059 237 R CA 1.061 57.205 56.100 0.074 0.000 0.997 237 R CB -0.377 29.997 30.300 0.124 0.000 0.884 237 R HN 0.472 nan 8.270 nan 0.000 0.462 238 S N -0.860 114.849 115.700 0.016 0.000 2.489 238 S HA 0.055 4.571 4.470 0.076 0.000 0.228 238 S C 1.511 176.111 174.600 -0.000 0.000 0.995 238 S CA 0.822 59.028 58.200 0.010 0.000 0.934 238 S CB 0.496 63.705 63.200 0.015 0.000 0.771 238 S HN 0.481 nan 8.310 nan 0.000 0.522 239 G N 0.931 109.717 108.800 -0.025 0.000 2.284 239 G HA2 -0.254 3.752 3.960 0.076 0.000 0.201 239 G HA3 -0.254 3.752 3.960 0.076 0.000 0.201 239 G C 0.685 175.589 174.900 0.006 0.000 0.998 239 G CA 0.409 45.511 45.100 0.003 0.000 0.651 239 G HN 0.494 nan 8.290 nan 0.000 0.489 240 E N 0.087 120.285 120.200 -0.003 0.000 2.106 240 E HA 0.091 4.486 4.350 0.076 0.000 0.192 240 E C 0.806 177.406 176.600 0.001 0.000 0.984 240 E CA 0.480 56.881 56.400 0.002 0.000 0.806 240 E CB -0.041 29.662 29.700 0.005 0.000 0.750 240 E HN 0.592 nan 8.360 nan 0.000 0.458 241 I N 1.784 122.351 120.570 -0.005 0.000 2.359 241 I HA 0.057 4.273 4.170 0.076 0.000 0.294 241 I C 0.349 176.444 176.117 -0.036 0.000 0.987 241 I CA -0.562 60.746 61.300 0.013 0.000 1.225 241 I CB 1.539 39.591 38.000 0.087 0.000 1.366 241 I HN -0.024 nan 8.210 nan 0.000 0.466 242 D N 5.419 125.811 120.400 -0.013 0.000 2.277 242 D HA 0.147 4.833 4.640 0.076 0.000 0.209 242 D C 0.247 176.556 176.300 0.016 0.000 0.970 242 D CA 1.334 55.299 54.000 -0.058 0.000 0.874 242 D CB 0.517 41.322 40.800 0.008 0.000 0.982 242 D HN 0.413 nan 8.370 nan 0.000 0.504 243 M N 0.757 120.375 119.600 0.030 0.000 2.213 243 M HA 0.170 4.696 4.480 0.076 0.000 0.286 243 M C -0.161 176.124 176.300 -0.025 0.000 1.008 243 M CA -0.480 54.800 55.300 -0.034 0.000 0.937 243 M CB 2.636 35.117 32.600 -0.198 0.000 1.600 243 M HN -0.217 nan 8.290 nan 0.000 0.450 244 T N -0.635 113.868 114.554 -0.085 0.000 2.726 244 T HA 0.286 4.681 4.350 0.076 0.000 0.294 244 T C -0.205 174.476 174.700 -0.031 0.000 1.013 244 T CA -0.298 61.765 62.100 -0.062 0.000 0.996 244 T CB 0.865 69.635 68.868 -0.164 0.000 1.016 244 T HN 0.486 nan 8.240 nan 0.000 0.529 245 Y N 1.739 121.974 120.300 -0.108 0.000 2.281 245 Y HA 0.254 4.851 4.550 0.078 0.000 0.337 245 Y C 1.072 176.913 175.900 -0.099 0.000 1.304 245 Y CA -0.970 57.069 58.100 -0.101 0.000 1.465 245 Y CB 0.502 38.909 38.460 -0.089 0.000 1.350 245 Y HN 0.788 nan 8.280 nan 0.000 0.575 246 N N 2.241 120.452 118.700 -0.815 0.000 2.994 246 N HA 0.121 4.907 4.740 0.076 0.000 0.306 246 N C -1.685 173.612 175.510 -0.355 0.000 1.348 246 N CA -0.212 52.539 53.050 -0.497 0.000 1.109 246 N CB -0.696 37.524 38.487 -0.444 0.000 1.415 246 N HN 0.355 nan 8.380 nan 0.000 0.529 247 N N 0.822 119.416 118.700 -0.178 0.000 2.442 247 N HA 0.323 5.108 4.740 0.076 0.000 0.274 247 N C -0.756 174.728 175.510 -0.044 0.000 1.002 247 N CA -0.276 52.770 53.050 -0.006 0.000 0.910 247 N CB 1.314 39.877 38.487 0.128 0.000 1.244 247 N HN 0.183 nan 8.380 nan 0.000 0.492 248 M N 2.506 122.044 119.600 -0.103 0.000 2.472 248 M HA 0.485 5.010 4.480 0.076 0.000 0.331 248 M C -2.282 173.959 176.300 -0.099 0.000 1.170 248 M CA -2.117 53.125 55.300 -0.098 0.000 1.009 248 M CB 1.577 34.075 32.600 -0.169 0.000 1.672 248 M HN 0.171 nan 8.290 nan 0.000 0.453 249 P HA 0.269 nan 4.420 nan 0.000 0.280 249 P C 0.601 177.892 177.300 -0.014 0.000 1.244 249 P CA -0.161 62.920 63.100 -0.031 0.000 0.784 249 P CB 1.012 32.708 31.700 -0.007 0.000 0.913 250 I N 1.741 122.282 120.570 -0.048 0.000 2.361 250 I HA -0.267 3.948 4.170 0.076 0.000 0.251 250 I C 2.059 178.178 176.117 0.004 0.000 1.133 250 I CA 1.582 62.860 61.300 -0.036 0.000 1.413 250 I CB -0.294 37.666 38.000 -0.068 0.000 1.073 250 I HN 0.349 nan 8.210 nan 0.000 0.424 251 E N 0.571 120.770 120.200 -0.002 0.000 2.070 251 E HA -0.203 4.192 4.350 0.076 0.000 0.197 251 E C 1.992 178.602 176.600 0.017 0.000 1.004 251 E CA 1.456 57.859 56.400 0.004 0.000 0.805 251 E CB -0.121 29.579 29.700 -0.001 0.000 0.744 251 E HN 0.450 nan 8.360 nan 0.000 0.451 252 L N -1.160 120.083 121.223 0.032 0.000 2.556 252 L HA 0.165 4.551 4.340 0.076 0.000 0.226 252 L C 1.762 178.657 176.870 0.042 0.000 1.089 252 L CA -0.261 54.594 54.840 0.026 0.000 0.864 252 L CB -0.049 42.020 42.059 0.017 0.000 1.067 252 L HN 0.078 nan 8.230 nan 0.000 0.477 253 F N 1.773 121.683 119.950 -0.066 0.000 2.091 253 F HA -0.286 4.285 4.527 0.073 0.000 0.299 253 F C 2.660 178.421 175.800 -0.066 0.000 1.103 253 F CA 1.787 59.742 58.000 -0.075 0.000 1.228 253 F CB 0.014 38.963 39.000 -0.084 0.000 0.984 253 F HN 0.065 nan 8.300 nan 0.000 0.477 254 Q N 0.336 120.121 119.800 -0.025 0.000 2.084 254 Q HA -0.226 4.159 4.340 0.076 0.000 0.202 254 Q C 2.221 178.118 176.000 -0.172 0.000 0.978 254 Q CA 1.690 57.423 55.803 -0.116 0.000 0.844 254 Q CB -0.692 28.037 28.738 -0.016 0.000 0.898 254 Q HN 0.302 nan 8.270 nan 0.000 0.426 255 K N 0.778 121.108 120.400 -0.118 0.000 2.097 255 K HA -0.030 4.335 4.320 0.076 0.000 0.205 255 K C 2.069 178.581 176.600 -0.146 0.000 1.050 255 K CA 0.812 57.036 56.287 -0.104 0.000 0.938 255 K CB -0.364 32.099 32.500 -0.061 0.000 0.718 255 K HN 0.150 nan 8.250 nan 0.000 0.442 256 L N 0.320 121.424 121.223 -0.199 0.000 2.046 256 L HA -0.158 4.227 4.340 0.076 0.000 0.208 256 L C 2.292 178.994 176.870 -0.281 0.000 1.077 256 L CA 1.264 55.970 54.840 -0.222 0.000 0.747 256 L CB -0.495 41.419 42.059 -0.241 0.000 0.896 256 L HN 0.126 nan 8.230 nan 0.000 0.432 257 K N 0.430 120.573 120.400 -0.427 0.000 2.209 257 K HA -0.150 4.216 4.320 0.076 0.000 0.204 257 K C 1.943 178.418 176.600 -0.209 0.000 1.048 257 K CA 1.399 57.467 56.287 -0.366 0.000 0.940 257 K CB 0.055 32.280 32.500 -0.458 0.000 0.729 257 K HN 0.013 nan 8.250 nan 0.000 0.451 258 K N 0.219 120.515 120.400 -0.173 0.000 2.211 258 K HA 0.044 4.410 4.320 0.076 0.000 0.201 258 K C 1.887 178.433 176.600 -0.090 0.000 1.052 258 K CA 0.968 57.189 56.287 -0.111 0.000 0.973 258 K CB 0.104 32.549 32.500 -0.091 0.000 0.766 258 K HN 0.313 nan 8.250 nan 0.000 0.466 259 E N 0.384 120.527 120.200 -0.094 0.000 2.122 259 E HA 0.049 4.445 4.350 0.076 0.000 0.190 259 E C 0.517 177.082 176.600 -0.059 0.000 0.977 259 E CA 0.571 56.932 56.400 -0.065 0.000 0.820 259 E CB 0.356 30.023 29.700 -0.055 0.000 0.770 259 E HN 0.283 nan 8.360 nan 0.000 0.462 260 I N -3.016 117.508 120.570 -0.078 0.000 2.948 260 I HA 0.298 4.514 4.170 0.076 0.000 0.308 260 I C -2.320 173.744 176.117 -0.087 0.000 1.478 260 I CA -1.650 59.612 61.300 -0.063 0.000 0.843 260 I CB 1.315 39.295 38.000 -0.033 0.000 2.100 260 I HN -0.204 nan 8.210 nan 0.000 0.625 261 P HA -0.191 nan 4.420 nan 0.000 0.216 261 P C 0.846 178.100 177.300 -0.077 0.000 1.153 261 P CA 1.622 64.666 63.100 -0.094 0.000 0.858 261 P CB 0.076 31.732 31.700 -0.074 0.000 0.789 262 N N -0.053 118.611 118.700 -0.061 0.000 2.381 262 N HA -0.111 4.675 4.740 0.076 0.000 0.182 262 N C 1.689 177.162 175.510 -0.062 0.000 1.025 262 N CA 0.964 53.982 53.050 -0.053 0.000 0.888 262 N CB -0.362 38.098 38.487 -0.045 0.000 0.965 262 N HN 0.435 nan 8.380 nan 0.000 0.438 263 E N -0.095 120.063 120.200 -0.071 0.000 2.276 263 E HA 0.079 4.474 4.350 0.076 0.000 0.193 263 E C -0.126 176.413 176.600 -0.103 0.000 0.983 263 E CA 0.029 56.384 56.400 -0.075 0.000 0.861 263 E CB 0.637 30.316 29.700 -0.035 0.000 0.817 263 E HN -0.026 nan 8.360 nan 0.000 0.485 264 V N 3.987 123.836 119.914 -0.108 0.000 2.397 264 V HA 0.072 4.238 4.120 0.076 0.000 0.262 264 V C 0.122 176.189 176.094 -0.044 0.000 1.047 264 V CA -0.005 62.235 62.300 -0.100 0.000 1.003 264 V CB 0.184 31.914 31.823 -0.155 0.000 1.037 264 V HN 0.114 nan 8.190 nan 0.000 0.480 265 R N 4.176 124.664 120.500 -0.019 0.000 2.265 265 R HA 0.631 5.016 4.340 0.076 0.000 0.319 265 R C -0.902 175.412 176.300 0.023 0.000 1.006 265 R CA -0.563 55.543 56.100 0.011 0.000 0.880 265 R CB 1.668 32.011 30.300 0.071 0.000 1.077 265 R HN 0.423 nan 8.270 nan 0.000 0.454 266 V N 4.087 124.010 119.914 0.015 0.000 2.447 266 V HA 0.360 4.525 4.120 0.076 0.000 0.292 266 V C -0.469 175.620 176.094 -0.008 0.000 1.021 266 V CA -0.655 61.659 62.300 0.024 0.000 0.850 266 V CB 1.969 33.830 31.823 0.064 0.000 1.005 266 V HN 0.696 nan 8.190 nan 0.000 0.426 267 D N 4.507 124.894 120.400 -0.022 0.000 2.579 267 D HA 0.469 5.154 4.640 0.076 0.000 0.257 267 D C -2.899 173.405 176.300 0.007 0.000 1.176 267 D CA -1.431 52.548 54.000 -0.036 0.000 0.914 267 D CB 2.953 43.701 40.800 -0.087 0.000 1.431 267 D HN 0.198 nan 8.370 nan 0.000 0.454 268 P HA 0.099 nan 4.420 nan 0.000 0.269 268 P C -1.013 176.419 177.300 0.219 0.000 1.209 268 P CA 0.192 63.329 63.100 0.062 0.000 0.776 268 P CB 0.284 31.980 31.700 -0.007 0.000 0.876 269 Y N 1.716 122.121 120.300 0.175 0.000 2.441 269 Y HA 0.332 4.929 4.550 0.078 0.000 0.334 269 Y C -0.970 175.090 175.900 0.267 0.000 1.061 269 Y CA -1.256 56.945 58.100 0.168 0.000 1.032 269 Y CB 1.372 39.912 38.460 0.132 0.000 1.266 269 Y HN 0.156 nan 8.280 nan 0.000 0.441 270 L N 5.829 127.155 121.223 0.171 0.000 2.536 270 L HA 0.350 4.736 4.340 0.076 0.000 0.242 270 L C -0.929 175.873 176.870 -0.113 0.000 1.280 270 L CA 0.175 54.987 54.840 -0.046 0.000 1.221 270 L CB -0.540 41.488 42.059 -0.052 0.000 1.449 270 L HN 0.538 nan 8.230 nan 0.000 0.405 271 c N -0.789 117.726 118.600 -0.142 0.000 2.898 271 c HA 0.706 5.322 4.570 0.076 0.000 0.304 271 c C 0.300 174.569 174.090 0.299 0.000 1.237 271 c CA -0.648 55.604 56.329 -0.129 0.000 1.529 271 c CB 2.244 44.195 42.510 -0.930 0.000 2.021 271 c HN 0.417 nan 8.230 nan 0.000 0.474 272 T N 1.171 116.006 114.554 0.469 0.000 2.848 272 T HA 0.426 4.821 4.350 0.076 0.000 0.285 272 T C -1.386 173.691 174.700 0.629 0.000 0.995 272 T CA -0.194 62.239 62.100 0.555 0.000 0.970 272 T CB 0.892 70.037 68.868 0.461 0.000 0.976 272 T HN 0.541 nan 8.240 nan 0.000 0.441 273 Y N 4.776 125.171 120.300 0.159 0.000 2.326 273 Y HA 0.572 5.166 4.550 0.074 0.000 0.337 273 Y C -0.831 174.997 175.900 -0.121 0.000 1.023 273 Y CA -0.840 57.149 58.100 -0.185 0.000 1.143 273 Y CB 0.431 38.175 38.460 -1.192 0.000 1.183 273 Y HN 0.707 nan 8.280 nan 0.000 0.485 274 Y N 2.397 122.584 120.300 -0.187 0.000 2.670 274 Y HA 0.594 5.189 4.550 0.075 0.000 0.334 274 Y C -2.361 173.299 175.900 -0.399 0.000 1.185 274 Y CA -2.394 55.625 58.100 -0.135 0.000 1.053 274 Y CB 0.647 39.104 38.460 -0.005 0.000 1.298 274 Y HN 0.405 nan 8.280 nan 0.000 0.459 275 Y N 1.164 121.565 120.300 0.168 0.000 2.353 275 Y HA 0.322 4.919 4.550 0.077 0.000 0.340 275 Y C 0.242 176.239 175.900 0.163 0.000 0.972 275 Y CA -0.728 57.433 58.100 0.101 0.000 1.157 275 Y CB 1.424 40.024 38.460 0.234 0.000 1.157 275 Y HN 0.669 nan 8.280 nan 0.000 0.495 276 E N 4.611 124.883 120.200 0.121 0.000 2.223 276 E HA 0.319 4.714 4.350 0.076 0.000 0.282 276 E C -0.990 175.728 176.600 0.197 0.000 1.046 276 E CA -0.256 56.248 56.400 0.173 0.000 0.857 276 E CB 0.530 30.243 29.700 0.021 0.000 1.055 276 E HN 0.618 nan 8.360 nan 0.000 0.409 277 I N 4.109 124.727 120.570 0.079 0.000 2.385 277 I HA 0.101 4.317 4.170 0.076 0.000 0.294 277 I C 0.335 176.352 176.117 -0.168 0.000 0.988 277 I CA -0.806 60.424 61.300 -0.116 0.000 1.265 277 I CB 1.211 39.124 38.000 -0.144 0.000 1.388 277 I HN 0.489 nan 8.210 nan 0.000 0.480 278 N N 4.723 123.132 118.700 -0.483 0.000 2.508 278 N HA 0.070 4.856 4.740 0.076 0.000 0.253 278 N C 0.421 175.778 175.510 -0.255 0.000 1.145 278 N CA 0.150 52.839 53.050 -0.602 0.000 0.973 278 N CB 0.077 37.798 38.487 -1.276 0.000 1.305 278 N HN 0.440 nan 8.380 nan 0.000 0.506 279 N N 1.815 120.462 118.700 -0.087 0.000 2.364 279 N HA -0.107 4.678 4.740 0.076 0.000 0.183 279 N C 0.583 176.087 175.510 -0.010 0.000 1.022 279 N CA 1.068 54.119 53.050 0.002 0.000 0.883 279 N CB 0.160 38.698 38.487 0.086 0.000 0.965 279 N HN 0.655 nan 8.380 nan 0.000 0.438 280 Q N -0.556 119.209 119.800 -0.059 0.000 2.320 280 Q HA 0.117 4.503 4.340 0.076 0.000 0.201 280 Q C -0.077 175.875 176.000 -0.079 0.000 0.910 280 Q CA 0.248 56.012 55.803 -0.066 0.000 0.946 280 Q CB 0.549 29.234 28.738 -0.088 0.000 1.062 280 Q HN 0.100 nan 8.270 nan 0.000 0.503 281 K N 1.198 121.557 120.400 -0.067 0.000 2.376 281 K HA 0.487 4.852 4.320 0.076 0.000 0.257 281 K C -1.069 175.550 176.600 0.030 0.000 0.939 281 K CA -0.407 55.860 56.287 -0.033 0.000 0.809 281 K CB 1.579 34.033 32.500 -0.076 0.000 1.121 281 K HN 0.017 nan 8.250 nan 0.000 0.425 282 A N 5.009 127.808 122.820 -0.034 0.000 2.531 282 A HA 0.188 4.554 4.320 0.076 0.000 0.236 282 A C -1.648 175.825 177.584 -0.185 0.000 1.062 282 A CA -0.734 51.242 52.037 -0.101 0.000 0.760 282 A CB -0.109 18.847 19.000 -0.074 0.000 0.995 282 A HN 0.635 nan 8.150 nan 0.000 0.501 283 P HA 0.135 nan 4.420 nan 0.000 0.256 283 P C 0.050 177.041 177.300 -0.516 0.000 1.384 283 P CA 0.283 63.145 63.100 -0.397 0.000 0.879 283 P CB -0.051 31.467 31.700 -0.303 0.000 1.403 284 F N 1.512 121.375 119.950 -0.145 0.000 2.811 284 F HA 0.030 4.603 4.527 0.076 0.000 0.301 284 F C 1.761 177.485 175.800 -0.128 0.000 1.151 284 F CA 0.286 58.175 58.000 -0.185 0.000 1.412 284 F CB -0.846 37.999 39.000 -0.257 0.000 1.113 284 F HN 0.044 nan 8.300 nan 0.000 0.579 285 N N -0.969 117.729 118.700 -0.002 0.000 2.398 285 N HA -0.068 4.717 4.740 0.076 0.000 0.188 285 N C -0.278 175.221 175.510 -0.017 0.000 1.122 285 N CA 0.239 53.286 53.050 -0.005 0.000 0.866 285 N CB -0.335 38.140 38.487 -0.020 0.000 0.970 285 N HN 0.102 nan 8.380 nan 0.000 0.462 286 D N 0.611 120.988 120.400 -0.037 0.000 2.274 286 D HA 0.050 4.735 4.640 0.076 0.000 0.239 286 D C 0.859 177.147 176.300 -0.020 0.000 1.104 286 D CA -0.463 53.518 54.000 -0.032 0.000 0.840 286 D CB 2.355 43.129 40.800 -0.043 0.000 1.100 286 D HN -0.168 nan 8.370 nan 0.000 0.477 287 V N 5.767 125.678 119.914 -0.005 0.000 2.490 287 V HA -0.232 3.933 4.120 0.076 0.000 0.250 287 V C 2.121 178.206 176.094 -0.016 0.000 1.061 287 V CA 1.790 64.088 62.300 -0.002 0.000 1.064 287 V CB -0.183 31.648 31.823 0.014 0.000 0.670 287 V HN 0.524 nan 8.190 nan 0.000 0.461 288 R N -0.784 119.709 120.500 -0.012 0.000 2.092 288 R HA -0.084 4.301 4.340 0.076 0.000 0.231 288 R C 2.124 178.401 176.300 -0.039 0.000 1.119 288 R CA 1.517 57.611 56.100 -0.011 0.000 0.970 288 R CB -0.551 29.755 30.300 0.010 0.000 0.864 288 R HN 0.484 nan 8.270 nan 0.000 0.440 289 V N 1.311 121.190 119.914 -0.058 0.000 2.323 289 V HA -0.203 3.963 4.120 0.076 0.000 0.244 289 V C 2.291 178.308 176.094 -0.129 0.000 1.041 289 V CA 1.676 63.894 62.300 -0.135 0.000 1.025 289 V CB -0.477 31.218 31.823 -0.213 0.000 0.656 289 V HN 0.294 nan 8.190 nan 0.000 0.451 290 R N -0.011 120.447 120.500 -0.072 0.000 2.081 290 R HA -0.128 4.258 4.340 0.076 0.000 0.235 290 R C 2.342 178.589 176.300 -0.088 0.000 1.131 290 R CA 1.871 57.935 56.100 -0.061 0.000 0.960 290 R CB -0.946 29.337 30.300 -0.028 0.000 0.856 290 R HN 0.472 nan 8.270 nan 0.000 0.436 291 T N 1.279 115.782 114.554 -0.086 0.000 2.788 291 T HA -0.120 4.275 4.350 0.076 0.000 0.268 291 T C 2.034 176.662 174.700 -0.120 0.000 1.044 291 T CA 1.395 63.425 62.100 -0.117 0.000 1.139 291 T CB -0.226 68.594 68.868 -0.080 0.000 0.867 291 T HN 0.396 nan 8.240 nan 0.000 0.454 292 A N 1.465 124.226 122.820 -0.098 0.000 1.865 292 A HA -0.023 4.342 4.320 0.076 0.000 0.217 292 A C 2.314 179.830 177.584 -0.113 0.000 1.191 292 A CA 1.291 53.272 52.037 -0.094 0.000 0.623 292 A CB -0.948 17.982 19.000 -0.117 0.000 0.826 292 A HN 0.470 nan 8.150 nan 0.000 0.444 293 L N -0.620 120.482 121.223 -0.202 0.000 2.042 293 L HA -0.243 4.143 4.340 0.076 0.000 0.210 293 L C 2.687 179.656 176.870 0.166 0.000 1.076 293 L CA 2.086 56.773 54.840 -0.254 0.000 0.749 293 L CB -0.467 41.335 42.059 -0.427 0.000 0.893 293 L HN 0.511 nan 8.230 nan 0.000 0.432 294 K N 0.650 121.074 120.400 0.040 0.000 2.026 294 K HA -0.171 4.194 4.320 0.076 0.000 0.208 294 K C 2.144 178.685 176.600 -0.097 0.000 1.048 294 K CA 1.321 57.605 56.287 -0.006 0.000 0.929 294 K CB -0.059 32.321 32.500 -0.200 0.000 0.713 294 K HN 0.228 nan 8.250 nan 0.000 0.439 295 L N 0.289 121.407 121.223 -0.175 0.000 2.093 295 L HA -0.075 4.310 4.340 0.076 0.000 0.208 295 L C 2.550 179.477 176.870 0.095 0.000 1.085 295 L CA 1.057 55.821 54.840 -0.127 0.000 0.755 295 L CB -0.439 41.574 42.059 -0.076 0.000 0.904 295 L HN 0.262 nan 8.230 nan 0.000 0.435 296 A N -0.198 122.723 122.820 0.167 0.000 2.119 296 A HA -0.018 4.348 4.320 0.076 0.000 0.217 296 A C 1.235 179.005 177.584 0.309 0.000 1.153 296 A CA 0.128 52.313 52.037 0.247 0.000 0.692 296 A CB -0.415 18.735 19.000 0.250 0.000 0.799 296 A HN 0.300 nan 8.150 nan 0.000 0.458 297 L N 0.781 122.212 121.223 0.348 0.000 2.462 297 L HA 0.119 4.504 4.340 0.076 0.000 0.272 297 L C -0.566 176.378 176.870 0.123 0.000 1.166 297 L CA -0.300 54.616 54.840 0.127 0.000 0.880 297 L CB 0.499 42.618 42.059 0.100 0.000 1.142 297 L HN 0.118 nan 8.230 nan 0.000 0.473 298 D N 4.689 125.126 120.400 0.061 0.000 2.456 298 D HA 0.152 4.837 4.640 0.076 0.000 0.219 298 D C 1.063 177.403 176.300 0.067 0.000 1.126 298 D CA -0.189 53.858 54.000 0.078 0.000 0.890 298 D CB 0.829 41.659 40.800 0.050 0.000 1.025 298 D HN 0.539 nan 8.370 nan 0.000 0.511 299 R N 2.097 122.672 120.500 0.125 0.000 2.096 299 R HA -0.139 4.246 4.340 0.076 0.000 0.235 299 R C 1.418 177.763 176.300 0.075 0.000 1.127 299 R CA 1.357 57.536 56.100 0.131 0.000 0.968 299 R CB 0.035 30.475 30.300 0.234 0.000 0.861 299 R HN 0.392 nan 8.270 nan 0.000 0.440 300 D N 0.737 121.169 120.400 0.053 0.000 2.097 300 D HA -0.143 4.543 4.640 0.076 0.000 0.195 300 D C 1.705 178.006 176.300 0.002 0.000 0.989 300 D CA 1.278 55.289 54.000 0.018 0.000 0.827 300 D CB 0.019 40.822 40.800 0.004 0.000 0.966 300 D HN 0.141 nan 8.370 nan 0.000 0.456 301 I N -0.044 120.528 120.570 0.003 0.000 2.127 301 I HA -0.242 3.973 4.170 0.076 0.000 0.241 301 I C 2.460 178.558 176.117 -0.033 0.000 1.075 301 I CA 0.857 62.148 61.300 -0.015 0.000 1.334 301 I CB -0.287 37.703 38.000 -0.015 0.000 1.040 301 I HN 0.113 nan 8.210 nan 0.000 0.405 302 I N -0.061 120.492 120.570 -0.029 0.000 2.142 302 I HA -0.268 3.948 4.170 0.076 0.000 0.240 302 I C 2.459 178.527 176.117 -0.081 0.000 1.078 302 I CA 1.386 62.657 61.300 -0.048 0.000 1.343 302 I CB -0.246 37.741 38.000 -0.022 0.000 1.046 302 I HN -0.008 nan 8.210 nan 0.000 0.405 303 V N 0.722 120.599 119.914 -0.062 0.000 2.307 303 V HA -0.217 3.948 4.120 0.076 0.000 0.245 303 V C 1.978 177.987 176.094 -0.142 0.000 1.045 303 V CA 1.868 64.080 62.300 -0.146 0.000 1.024 303 V CB -0.679 31.101 31.823 -0.071 0.000 0.651 303 V HN 0.426 nan 8.190 nan 0.000 0.449 304 N N -0.509 118.146 118.700 -0.076 0.000 2.402 304 N HA -0.002 4.783 4.740 0.076 0.000 0.174 304 N C 1.765 177.243 175.510 -0.053 0.000 1.027 304 N CA 0.773 53.788 53.050 -0.059 0.000 0.891 304 N CB 0.088 38.557 38.487 -0.030 0.000 1.016 304 N HN 0.377 nan 8.380 nan 0.000 0.439 305 K N 0.082 120.452 120.400 -0.051 0.000 2.161 305 K HA 0.112 4.477 4.320 0.076 0.000 0.205 305 K C 1.877 178.443 176.600 -0.056 0.000 1.035 305 K CA 0.373 56.634 56.287 -0.043 0.000 0.970 305 K CB -0.748 31.733 32.500 -0.032 0.000 0.866 305 K HN 0.010 nan 8.250 nan 0.000 0.461 306 V N 0.309 120.182 119.914 -0.069 0.000 2.488 306 V HA -0.035 4.130 4.120 0.076 0.000 0.246 306 V C 1.840 177.870 176.094 -0.106 0.000 1.046 306 V CA 1.435 63.688 62.300 -0.078 0.000 1.053 306 V CB 0.026 31.804 31.823 -0.075 0.000 0.679 306 V HN 0.123 nan 8.190 nan 0.000 0.458 307 K N 0.567 120.876 120.400 -0.152 0.000 2.056 307 K HA 0.014 4.380 4.320 0.076 0.000 0.205 307 K C 1.058 177.543 176.600 -0.191 0.000 1.035 307 K CA 0.933 57.089 56.287 -0.219 0.000 0.955 307 K CB -0.540 31.746 32.500 -0.357 0.000 0.769 307 K HN 0.725 nan 8.250 nan 0.000 0.447 308 N N 1.340 119.935 118.700 -0.175 0.000 2.688 308 N HA -0.221 4.564 4.740 0.076 0.000 0.258 308 N C -0.441 175.019 175.510 -0.083 0.000 1.016 308 N CA 0.222 53.210 53.050 -0.104 0.000 0.747 308 N CB -0.370 38.093 38.487 -0.040 0.000 0.895 308 N HN 0.351 nan 8.380 nan 0.000 0.543 309 Q N -0.469 119.203 119.800 -0.213 0.000 2.127 309 Q HA 0.230 4.615 4.340 0.076 0.000 0.222 309 Q C 1.216 177.115 176.000 -0.168 0.000 0.794 309 Q CA 0.377 56.004 55.803 -0.294 0.000 1.010 309 Q CB 1.113 29.369 28.738 -0.804 0.000 1.170 309 Q HN 0.617 nan 8.270 nan 0.000 0.479 310 G N 0.918 109.645 108.800 -0.123 0.000 2.179 310 G HA2 -0.170 3.835 3.960 0.076 0.000 0.220 310 G HA3 -0.170 3.835 3.960 0.076 0.000 0.220 310 G C -0.191 174.656 174.900 -0.089 0.000 0.990 310 G CA -0.278 44.781 45.100 -0.069 0.000 0.646 310 G HN 0.287 nan 8.290 nan 0.000 0.517 311 D N 0.090 120.370 120.400 -0.199 0.000 2.368 311 D HA 0.417 5.103 4.640 0.076 0.000 0.240 311 D C 0.274 176.549 176.300 -0.042 0.000 1.169 311 D CA 0.339 54.228 54.000 -0.185 0.000 0.906 311 D CB 1.397 41.776 40.800 -0.702 0.000 1.187 311 D HN 0.144 nan 8.370 nan 0.000 0.435 312 L N 2.067 123.363 121.223 0.122 0.000 2.341 312 L HA 0.293 4.678 4.340 0.076 0.000 0.278 312 L C -2.313 174.647 176.870 0.150 0.000 1.005 312 L CA -1.722 53.231 54.840 0.188 0.000 0.818 312 L CB 1.820 44.078 42.059 0.331 0.000 1.259 312 L HN 0.067 nan 8.230 nan 0.000 0.418 313 P HA 0.042 nan 4.420 nan 0.000 0.263 313 P C -1.073 176.241 177.300 0.024 0.000 1.175 313 P CA 0.073 63.303 63.100 0.217 0.000 0.761 313 P CB 0.513 32.446 31.700 0.389 0.000 0.794 314 A N 3.391 126.069 122.820 -0.236 0.000 2.337 314 A HA 0.554 4.919 4.320 0.076 0.000 0.329 314 A C -0.376 177.028 177.584 -0.300 0.000 1.146 314 A CA -0.437 51.143 52.037 -0.762 0.000 0.800 314 A CB 0.394 18.765 19.000 -1.048 0.000 1.220 314 A HN 0.681 nan 8.150 nan 0.000 0.472 315 Y N 0.458 120.551 120.300 -0.345 0.000 2.626 315 Y HA 0.503 5.099 4.550 0.076 0.000 0.248 315 Y C 0.264 176.133 175.900 -0.052 0.000 1.147 315 Y CA -0.205 57.695 58.100 -0.334 0.000 1.219 315 Y CB -0.405 37.369 38.460 -1.144 0.000 1.279 315 Y HN 0.664 nan 8.280 nan 0.000 0.541 316 S N -1.983 113.586 115.700 -0.219 0.000 2.671 316 S HA 0.318 4.833 4.470 0.076 0.000 0.277 316 S C -0.377 174.233 174.600 0.017 0.000 1.165 316 S CA -0.594 57.569 58.200 -0.060 0.000 0.822 316 S CB 1.238 64.338 63.200 -0.166 0.000 1.150 316 S HN 0.109 nan 8.310 nan 0.000 0.479 317 Y N 2.110 122.315 120.300 -0.158 0.000 2.177 317 Y HA 0.266 4.863 4.550 0.078 0.000 0.291 317 Y C 1.173 176.885 175.900 -0.313 0.000 1.117 317 Y CA 1.358 59.346 58.100 -0.186 0.000 1.114 317 Y CB -0.854 37.479 38.460 -0.211 0.000 1.017 317 Y HN 0.739 nan 8.280 nan 0.000 0.505 318 T N 5.198 119.450 114.554 -0.503 0.000 2.853 318 T HA 0.132 4.528 4.350 0.076 0.000 0.298 318 T C -2.581 171.556 174.700 -0.938 0.000 0.978 318 T CA -0.928 60.542 62.100 -1.051 0.000 1.152 318 T CB 0.686 69.170 68.868 -0.640 0.000 0.914 318 T HN 0.086 nan 8.240 nan 0.000 0.539 319 P HA 0.107 nan 4.420 nan 0.000 0.268 319 P C -1.676 174.972 177.300 -1.086 0.000 1.204 319 P CA -1.458 60.866 63.100 -1.293 0.000 0.768 319 P CB 0.183 31.047 31.700 -1.394 0.000 0.842 320 P HA -0.154 nan 4.420 nan 0.000 0.225 320 P C 0.590 177.746 177.300 -0.239 0.000 1.148 320 P CA 1.564 64.407 63.100 -0.429 0.000 0.779 320 P CB -0.408 31.161 31.700 -0.217 0.000 0.780 321 Y N -2.219 117.901 120.300 -0.301 0.000 2.461 321 Y HA 0.375 4.969 4.550 0.073 0.000 0.277 321 Y C 0.582 176.383 175.900 -0.165 0.000 1.182 321 Y CA -0.978 57.014 58.100 -0.180 0.000 1.276 321 Y CB -1.747 36.630 38.460 -0.140 0.000 1.087 321 Y HN -0.320 nan 8.280 nan 0.000 0.519 322 T N 2.202 116.505 114.554 -0.418 0.000 2.932 322 T HA -0.088 4.307 4.350 0.076 0.000 0.312 322 T C -0.148 174.461 174.700 -0.151 0.000 1.071 322 T CA -0.144 61.769 62.100 -0.311 0.000 1.128 322 T CB 0.318 68.925 68.868 -0.435 0.000 0.984 322 T HN 0.273 nan 8.240 nan 0.000 0.549 323 D N 0.998 121.347 120.400 -0.084 0.000 2.412 323 D HA 0.215 4.901 4.640 0.076 0.000 0.257 323 D C 1.292 177.573 176.300 -0.032 0.000 1.217 323 D CA 1.385 55.370 54.000 -0.025 0.000 0.897 323 D CB -0.109 40.697 40.800 0.010 0.000 1.132 323 D HN 0.847 nan 8.370 nan 0.000 0.493 324 G N 2.568 111.371 108.800 0.004 0.000 2.194 324 G HA2 -0.142 3.864 3.960 0.076 0.000 0.236 324 G HA3 -0.142 3.864 3.960 0.076 0.000 0.236 324 G C 0.356 175.291 174.900 0.059 0.000 0.987 324 G CA 0.192 45.322 45.100 0.051 0.000 0.635 324 G HN 0.907 nan 8.290 nan 0.000 0.520 325 A N 0.493 123.296 122.820 -0.027 0.000 2.354 325 A HA 0.687 5.053 4.320 0.076 0.000 0.281 325 A C 0.493 178.066 177.584 -0.019 0.000 1.174 325 A CA 0.185 52.191 52.037 -0.052 0.000 0.828 325 A CB 0.335 19.224 19.000 -0.186 0.000 1.099 325 A HN 0.327 nan 8.150 nan 0.000 0.516 326 K N 4.002 124.410 120.400 0.013 0.000 2.954 326 K HA 0.309 4.675 4.320 0.076 0.000 0.171 326 K C -1.073 175.538 176.600 0.019 0.000 1.079 326 K CA -0.078 56.218 56.287 0.014 0.000 0.908 326 K CB 0.751 33.262 32.500 0.017 0.000 1.142 326 K HN 0.681 nan 8.250 nan 0.000 0.613 327 L N 1.125 122.360 121.223 0.020 0.000 2.395 327 L HA 0.377 4.763 4.340 0.076 0.000 0.269 327 L C 0.304 177.196 176.870 0.037 0.000 1.133 327 L CA -1.047 53.821 54.840 0.047 0.000 0.812 327 L CB 1.084 43.187 42.059 0.073 0.000 1.125 327 L HN -0.018 nan 8.230 nan 0.000 0.452 328 V N 1.917 121.842 119.914 0.018 0.000 2.370 328 V HA 0.138 4.303 4.120 0.076 0.000 0.279 328 V C 0.295 176.297 176.094 -0.153 0.000 1.029 328 V CA -0.662 61.606 62.300 -0.053 0.000 0.870 328 V CB 1.244 33.047 31.823 -0.033 0.000 0.984 328 V HN 0.680 nan 8.190 nan 0.000 0.451 329 E N 7.055 127.041 120.200 -0.357 0.000 2.351 329 E HA 0.159 4.555 4.350 0.076 0.000 0.266 329 E C -2.109 174.199 176.600 -0.487 0.000 1.031 329 E CA -1.301 54.657 56.400 -0.738 0.000 0.911 329 E CB 0.862 30.150 29.700 -0.687 0.000 0.986 329 E HN 0.495 nan 8.360 nan 0.000 0.446 330 P HA -0.020 nan 4.420 nan 0.000 0.269 330 P C 0.392 177.373 177.300 -0.531 0.000 1.215 330 P CA -0.094 62.733 63.100 -0.456 0.000 0.780 330 P CB 0.919 32.337 31.700 -0.471 0.000 0.898 331 E N 1.443 121.439 120.200 -0.340 0.000 2.110 331 E HA -0.135 4.261 4.350 0.076 0.000 0.193 331 E C 1.904 178.087 176.600 -0.695 0.000 0.988 331 E CA 1.235 57.449 56.400 -0.310 0.000 0.804 331 E CB -0.524 29.145 29.700 -0.051 0.000 0.745 331 E HN 0.713 nan 8.360 nan 0.000 0.458 332 W N 0.008 120.707 121.300 -1.001 0.000 2.341 332 W HA -0.194 4.511 4.660 0.076 0.000 0.283 332 W C 1.611 177.844 176.519 -0.477 0.000 1.215 332 W CA 0.357 56.874 57.345 -1.380 0.000 1.211 332 W CB -1.136 27.738 29.460 -0.976 0.000 1.131 332 W HN -0.041 nan 8.180 nan 0.000 0.552 333 F N 2.888 122.279 119.950 -0.933 0.000 2.407 333 F HA 0.013 4.586 4.527 0.076 0.000 0.299 333 F C 2.063 177.713 175.800 -0.251 0.000 1.097 333 F CA 1.480 59.075 58.000 -0.675 0.000 1.422 333 F CB -0.166 38.268 39.000 -0.943 0.000 1.067 333 F HN -0.213 nan 8.300 nan 0.000 0.539 334 K N -1.075 119.207 120.400 -0.197 0.000 2.367 334 K HA -0.013 4.352 4.320 0.076 0.000 0.194 334 K C 0.123 176.784 176.600 0.102 0.000 1.027 334 K CA -0.215 56.017 56.287 -0.093 0.000 1.075 334 K CB -0.068 32.414 32.500 -0.029 0.000 0.845 334 K HN 0.032 nan 8.250 nan 0.000 0.529 335 W N 2.048 123.362 121.300 0.024 0.000 1.975 335 W HA 0.144 4.850 4.660 0.077 0.000 0.359 335 W C 1.199 177.736 176.519 0.029 0.000 1.363 335 W CA -1.442 55.937 57.345 0.056 0.000 1.376 335 W CB -0.185 29.349 29.460 0.123 0.000 1.231 335 W HN -0.154 nan 8.180 nan 0.000 0.641 336 S N 0.172 116.048 115.700 0.294 0.000 2.593 336 S HA -0.052 4.463 4.470 0.076 0.000 0.269 336 S C 1.036 175.749 174.600 0.188 0.000 1.334 336 S CA -0.253 58.044 58.200 0.162 0.000 1.015 336 S CB 0.940 64.196 63.200 0.094 0.000 0.912 336 S HN 0.396 nan 8.310 nan 0.000 0.541 337 Q N 1.885 121.763 119.800 0.130 0.000 2.119 337 Q HA -0.118 4.267 4.340 0.076 0.000 0.201 337 Q C 2.096 178.176 176.000 0.134 0.000 0.972 337 Q CA 2.206 58.095 55.803 0.143 0.000 0.847 337 Q CB -0.474 28.324 28.738 0.100 0.000 0.903 337 Q HN 0.841 nan 8.270 nan 0.000 0.433 338 Q N 0.631 120.487 119.800 0.093 0.000 2.061 338 Q HA -0.227 4.158 4.340 0.076 0.000 0.204 338 Q C 1.923 177.962 176.000 0.064 0.000 0.984 338 Q CA 2.455 58.297 55.803 0.065 0.000 0.846 338 Q CB -0.471 28.289 28.738 0.036 0.000 0.902 338 Q HN 0.382 nan 8.270 nan 0.000 0.421 339 K N -0.288 120.150 120.400 0.063 0.000 2.097 339 K HA -0.120 4.245 4.320 0.076 0.000 0.206 339 K C 2.273 178.959 176.600 0.144 0.000 1.049 339 K CA 1.074 57.361 56.287 0.000 0.000 0.933 339 K CB -0.031 32.387 32.500 -0.137 0.000 0.717 339 K HN 0.229 nan 8.250 nan 0.000 0.442 340 R N 0.352 121.043 120.500 0.318 0.000 2.073 340 R HA -0.081 4.304 4.340 0.076 0.000 0.234 340 R C 2.084 178.513 176.300 0.215 0.000 1.134 340 R CA 1.633 57.964 56.100 0.384 0.000 0.952 340 R CB -0.320 30.191 30.300 0.352 0.000 0.850 340 R HN 0.270 nan 8.270 nan 0.000 0.433 341 N N 0.816 119.609 118.700 0.154 0.000 2.069 341 N HA -0.174 4.611 4.740 0.076 0.000 0.191 341 N C 1.588 177.145 175.510 0.078 0.000 1.031 341 N CA 1.301 54.416 53.050 0.109 0.000 0.852 341 N CB -0.260 38.282 38.487 0.091 0.000 1.018 341 N HN 0.332 nan 8.380 nan 0.000 0.423 342 E N 0.812 121.047 120.200 0.057 0.000 2.038 342 E HA -0.162 4.233 4.350 0.076 0.000 0.195 342 E C 1.679 178.302 176.600 0.037 0.000 1.000 342 E CA 0.764 57.181 56.400 0.028 0.000 0.803 342 E CB -0.063 29.632 29.700 -0.007 0.000 0.750 342 E HN 0.355 nan 8.360 nan 0.000 0.448 343 E N 0.454 120.689 120.200 0.058 0.000 2.097 343 E HA -0.222 4.173 4.350 0.076 0.000 0.196 343 E C 2.035 178.683 176.600 0.080 0.000 1.000 343 E CA 1.119 57.572 56.400 0.089 0.000 0.804 343 E CB -0.218 29.613 29.700 0.217 0.000 0.740 343 E HN 0.219 nan 8.360 nan 0.000 0.454 344 A N 1.599 124.468 122.820 0.081 0.000 1.858 344 A HA -0.224 4.142 4.320 0.076 0.000 0.216 344 A C 2.096 179.694 177.584 0.023 0.000 1.190 344 A CA 1.830 53.892 52.037 0.041 0.000 0.617 344 A CB -0.401 18.627 19.000 0.047 0.000 0.827 344 A HN 0.139 nan 8.150 nan 0.000 0.443 345 K N -0.394 120.026 120.400 0.033 0.000 2.097 345 K HA -0.169 4.196 4.320 0.076 0.000 0.206 345 K C 2.231 178.849 176.600 0.031 0.000 1.049 345 K CA 1.510 57.814 56.287 0.027 0.000 0.933 345 K CB -0.173 32.346 32.500 0.030 0.000 0.717 345 K HN 0.492 nan 8.250 nan 0.000 0.442 346 K N 1.410 121.829 120.400 0.031 0.000 2.032 346 K HA -0.145 4.221 4.320 0.076 0.000 0.209 346 K C 2.123 178.743 176.600 0.033 0.000 1.048 346 K CA 1.211 57.515 56.287 0.029 0.000 0.927 346 K CB -0.097 32.418 32.500 0.025 0.000 0.712 346 K HN 0.059 nan 8.250 nan 0.000 0.441 347 L N 0.956 122.200 121.223 0.034 0.000 2.046 347 L HA -0.190 4.196 4.340 0.076 0.000 0.208 347 L C 2.480 179.378 176.870 0.048 0.000 1.077 347 L CA 0.947 55.807 54.840 0.033 0.000 0.747 347 L CB -0.320 41.752 42.059 0.022 0.000 0.896 347 L HN 0.235 nan 8.230 nan 0.000 0.432 348 L N -0.633 120.618 121.223 0.048 0.000 2.093 348 L HA -0.160 4.225 4.340 0.076 0.000 0.208 348 L C 2.817 179.793 176.870 0.176 0.000 1.085 348 L CA 1.058 55.964 54.840 0.109 0.000 0.755 348 L CB -0.616 41.453 42.059 0.016 0.000 0.904 348 L HN 0.267 nan 8.230 nan 0.000 0.435 349 A N 0.195 123.072 122.820 0.095 0.000 1.930 349 A HA -0.251 4.115 4.320 0.076 0.000 0.217 349 A C 2.199 179.808 177.584 0.042 0.000 1.175 349 A CA 1.714 53.793 52.037 0.071 0.000 0.627 349 A CB -0.434 18.592 19.000 0.043 0.000 0.815 349 A HN 0.535 nan 8.150 nan 0.000 0.443 350 E N 0.236 120.458 120.200 0.037 0.000 2.110 350 E HA -0.074 4.322 4.350 0.076 0.000 0.193 350 E C 1.765 178.369 176.600 0.005 0.000 0.988 350 E CA 1.107 57.516 56.400 0.016 0.000 0.804 350 E CB -0.313 29.397 29.700 0.018 0.000 0.745 350 E HN 0.467 nan 8.360 nan 0.000 0.458 351 A N 0.099 122.947 122.820 0.048 0.000 2.239 351 A HA 0.205 4.570 4.320 0.076 0.000 0.209 351 A C 1.745 179.236 177.584 -0.155 0.000 1.171 351 A CA 0.968 53.021 52.037 0.026 0.000 0.768 351 A CB -0.569 18.549 19.000 0.198 0.000 0.790 351 A HN 0.619 nan 8.150 nan 0.000 0.478 352 G N -2.537 106.162 108.800 -0.167 0.000 2.148 352 G HA2 -0.183 3.822 3.960 0.076 0.000 0.203 352 G HA3 -0.183 3.822 3.960 0.076 0.000 0.203 352 G C -0.143 174.487 174.900 -0.449 0.000 0.993 352 G CA -0.148 44.766 45.100 -0.310 0.000 0.661 352 G HN 0.285 nan 8.290 nan 0.000 0.518 353 F N 1.701 121.625 119.950 -0.044 0.000 2.394 353 F HA 0.635 5.207 4.527 0.076 0.000 0.340 353 F C 1.435 177.219 175.800 -0.026 0.000 1.105 353 F CA 0.452 58.429 58.000 -0.039 0.000 1.124 353 F CB 1.690 40.663 39.000 -0.045 0.000 1.145 353 F HN 0.215 nan 8.300 nan 0.000 0.505 354 T N -0.703 113.939 114.554 0.146 0.000 2.292 354 T HA 0.701 5.097 4.350 0.076 0.000 0.205 354 T C 0.832 175.578 174.700 0.077 0.000 0.863 354 T CA 0.316 62.463 62.100 0.078 0.000 1.243 354 T CB 0.375 69.261 68.868 0.030 0.000 3.036 354 T HN 0.470 nan 8.240 nan 0.000 0.446 355 A N -0.105 122.746 122.820 0.051 0.000 1.977 355 A HA 0.517 4.883 4.320 0.076 0.000 0.197 355 A C 1.948 179.554 177.584 0.037 0.000 1.554 355 A CA 1.163 53.224 52.037 0.040 0.000 1.037 355 A CB -0.806 18.210 19.000 0.027 0.000 1.083 355 A HN 0.801 nan 8.150 nan 0.000 0.471 356 D N -0.252 120.166 120.400 0.032 0.000 2.194 356 D HA 0.324 5.009 4.640 0.076 0.000 0.204 356 D C 1.070 177.390 176.300 0.033 0.000 0.964 356 D CA 1.726 55.741 54.000 0.024 0.000 0.846 356 D CB -0.344 nan 40.800 nan 0.000 0.962 356 D HN 0.772 nan 8.370 nan 0.000 0.490 357 K N 1.254 121.683 120.400 0.049 0.000 2.753 357 K HA 0.566 4.931 4.320 0.076 0.000 0.185 357 K C -2.992 173.713 176.600 0.174 0.000 1.071 357 K CA -1.202 55.129 56.287 0.072 0.000 0.999 357 K CB 0.710 nan 32.500 nan 0.000 1.244 357 K HN 0.362 nan 8.250 nan 0.000 0.594 358 P HA 0.394 nan 4.420 nan 0.000 0.277 358 P C -0.474 176.925 177.300 0.165 0.000 1.271 358 P CA -0.700 62.492 63.100 0.154 0.000 0.795 358 P CB 1.010 32.745 31.700 0.059 0.000 1.101 359 L N 0.569 121.742 121.223 -0.083 0.000 2.265 359 L HA 0.464 4.849 4.340 0.076 0.000 0.288 359 L C -0.680 176.155 176.870 -0.057 0.000 1.058 359 L CA 0.632 55.296 54.840 -0.293 0.000 0.809 359 L CB 0.214 41.741 42.059 -0.887 0.000 1.179 359 L HN 0.272 nan 8.230 nan 0.000 0.429 360 T N 6.623 121.209 114.554 0.053 0.000 2.881 360 T HA 0.776 5.172 4.350 0.076 0.000 0.290 360 T C -0.934 173.868 174.700 0.170 0.000 1.000 360 T CA -0.121 61.983 62.100 0.007 0.000 0.978 360 T CB 0.981 69.854 68.868 0.008 0.000 0.997 360 T HN 0.551 nan 8.240 nan 0.000 0.443 361 F N -0.665 119.330 119.950 0.076 0.000 2.817 361 F HA 0.643 5.215 4.527 0.075 0.000 0.317 361 F C -1.518 174.359 175.800 0.128 0.000 1.168 361 F CA -1.386 56.701 58.000 0.144 0.000 0.911 361 F CB 0.665 39.857 39.000 0.321 0.000 1.337 361 F HN 0.247 nan 8.300 nan 0.000 0.464 362 D N 1.770 122.395 120.400 0.375 0.000 2.264 362 D HA 0.419 5.104 4.640 0.076 0.000 0.249 362 D C -1.108 175.409 176.300 0.363 0.000 1.070 362 D CA -0.064 54.091 54.000 0.259 0.000 0.912 362 D CB 2.348 43.285 40.800 0.228 0.000 1.193 362 D HN 0.502 nan 8.370 nan 0.000 0.427 363 L N 2.964 124.349 121.223 0.269 0.000 2.324 363 L HA 0.303 4.688 4.340 0.076 0.000 0.274 363 L C -1.380 175.692 176.870 0.337 0.000 1.012 363 L CA -0.874 54.168 54.840 0.336 0.000 0.859 363 L CB 0.944 43.167 42.059 0.274 0.000 1.224 363 L HN 0.221 nan 8.230 nan 0.000 0.429 364 L N 6.796 128.217 121.223 0.329 0.000 2.276 364 L HA 0.615 5.000 4.340 0.076 0.000 0.286 364 L C -1.065 176.020 176.870 0.360 0.000 1.061 364 L CA -0.041 54.959 54.840 0.266 0.000 0.807 364 L CB 0.820 42.999 42.059 0.200 0.000 1.177 364 L HN 0.606 nan 8.230 nan 0.000 0.429 365 Y N 2.897 123.261 120.300 0.106 0.000 2.581 365 Y HA 0.599 5.195 4.550 0.075 0.000 0.345 365 Y C -0.854 174.747 175.900 -0.499 0.000 1.036 365 Y CA -1.534 56.482 58.100 -0.139 0.000 1.042 365 Y CB 0.837 39.297 38.460 -0.001 0.000 1.289 365 Y HN 0.711 nan 8.280 nan 0.000 0.471 366 N N 0.907 119.040 118.700 -0.945 0.000 2.488 366 N HA 0.093 4.879 4.740 0.076 0.000 0.274 366 N C -0.634 174.839 175.510 -0.061 0.000 1.111 366 N CA -0.290 52.347 53.050 -0.690 0.000 0.974 366 N CB 1.139 39.263 38.487 -0.605 0.000 1.089 366 N HN 0.799 nan 8.380 nan 0.000 0.465 367 T N 1.436 115.935 114.554 -0.092 0.000 2.718 367 T HA 0.056 4.451 4.350 0.076 0.000 0.265 367 T C 0.307 175.095 174.700 0.147 0.000 1.014 367 T CA 0.663 62.793 62.100 0.051 0.000 1.172 367 T CB -0.485 68.385 68.868 0.003 0.000 1.007 367 T HN 0.750 nan 8.240 nan 0.000 0.500 368 S N 2.058 117.891 115.700 0.222 0.000 2.675 368 S HA 0.142 4.657 4.470 0.076 0.000 0.297 368 S C 0.277 174.906 174.600 0.049 0.000 1.035 368 S CA -0.847 57.408 58.200 0.092 0.000 0.852 368 S CB 1.186 64.415 63.200 0.048 0.000 1.051 368 S HN 0.599 nan 8.310 nan 0.000 0.451 369 D N 1.753 122.142 120.400 -0.018 0.000 2.084 369 D HA -0.088 4.598 4.640 0.076 0.000 0.196 369 D C 1.951 178.193 176.300 -0.097 0.000 0.985 369 D CA 1.538 55.517 54.000 -0.036 0.000 0.826 369 D CB 0.015 40.792 40.800 -0.038 0.000 0.978 369 D HN 0.455 nan 8.370 nan 0.000 0.456 370 L N 1.545 122.671 121.223 -0.161 0.000 1.990 370 L HA -0.221 4.165 4.340 0.076 0.000 0.213 370 L C 2.272 179.025 176.870 -0.196 0.000 1.072 370 L CA 1.926 56.638 54.840 -0.212 0.000 0.755 370 L CB -0.843 41.047 42.059 -0.282 0.000 0.889 370 L HN 0.107 nan 8.230 nan 0.000 0.432 371 H N -0.155 118.916 119.070 0.002 0.000 2.357 371 H HA -0.152 4.449 4.556 0.075 0.000 0.301 371 H C 2.210 177.311 175.328 -0.379 0.000 1.082 371 H CA 1.636 57.657 56.048 -0.045 0.000 1.342 371 H CB -0.338 29.456 29.762 0.054 0.000 1.389 371 H HN 0.470 nan 8.280 nan 0.000 0.511 372 K N 1.530 121.684 120.400 -0.410 0.000 2.032 372 K HA -0.154 4.212 4.320 0.076 0.000 0.209 372 K C 2.066 178.504 176.600 -0.269 0.000 1.048 372 K CA 1.409 57.352 56.287 -0.573 0.000 0.927 372 K CB 0.100 32.487 32.500 -0.188 0.000 0.712 372 K HN 0.110 nan 8.250 nan 0.000 0.441 373 K N 0.531 120.838 120.400 -0.154 0.000 2.063 373 K HA -0.136 4.229 4.320 0.076 0.000 0.208 373 K C 2.216 178.757 176.600 -0.100 0.000 1.048 373 K CA 1.660 57.884 56.287 -0.106 0.000 0.928 373 K CB -0.203 32.245 32.500 -0.087 0.000 0.713 373 K HN 0.215 nan 8.250 nan 0.000 0.442 374 L N 0.286 121.460 121.223 -0.081 0.000 2.046 374 L HA -0.170 4.215 4.340 0.076 0.000 0.208 374 L C 2.568 179.423 176.870 -0.025 0.000 1.077 374 L CA 1.137 55.956 54.840 -0.035 0.000 0.747 374 L CB -0.550 41.522 42.059 0.022 0.000 0.896 374 L HN 0.183 nan 8.230 nan 0.000 0.432 375 A N 0.104 122.885 122.820 -0.066 0.000 1.969 375 A HA -0.114 4.252 4.320 0.076 0.000 0.218 375 A C 2.220 179.731 177.584 -0.121 0.000 1.169 375 A CA 1.193 53.179 52.037 -0.085 0.000 0.635 375 A CB -0.553 18.365 19.000 -0.136 0.000 0.810 375 A HN 0.337 nan 8.150 nan 0.000 0.445 376 I N -0.226 120.274 120.570 -0.116 0.000 2.226 376 I HA -0.272 3.943 4.170 0.076 0.000 0.245 376 I C 2.939 179.002 176.117 -0.090 0.000 1.100 376 I CA 1.090 62.341 61.300 -0.082 0.000 1.374 376 I CB -0.259 37.702 38.000 -0.065 0.000 1.057 376 I HN 0.346 nan 8.210 nan 0.000 0.413 377 A N 0.119 122.878 122.820 -0.101 0.000 1.930 377 A HA -0.125 4.241 4.320 0.076 0.000 0.217 377 A C 2.414 179.899 177.584 -0.165 0.000 1.175 377 A CA 1.509 53.482 52.037 -0.107 0.000 0.627 377 A CB -0.818 18.124 19.000 -0.096 0.000 0.815 377 A HN 0.244 nan 8.150 nan 0.000 0.443 378 V N -0.317 119.449 119.914 -0.247 0.000 2.453 378 V HA -0.180 3.985 4.120 0.076 0.000 0.247 378 V C 3.028 178.867 176.094 -0.426 0.000 1.048 378 V CA 1.692 63.693 62.300 -0.497 0.000 1.049 378 V CB -1.019 30.357 31.823 -0.745 0.000 0.672 378 V HN 0.606 nan 8.190 nan 0.000 0.457 379 A N -0.365 122.327 122.820 -0.214 0.000 1.877 379 A HA -0.248 4.118 4.320 0.076 0.000 0.216 379 A C 2.584 180.168 177.584 -0.000 0.000 1.186 379 A CA 2.350 54.361 52.037 -0.043 0.000 0.620 379 A CB -0.820 18.161 19.000 -0.032 0.000 0.822 379 A HN 0.524 nan 8.150 nan 0.000 0.443 380 S N -0.543 115.135 115.700 -0.036 0.000 2.383 380 S HA -0.091 4.424 4.470 0.076 0.000 0.227 380 S C 1.928 176.530 174.600 0.005 0.000 1.026 380 S CA 1.291 59.484 58.200 -0.011 0.000 0.981 380 S CB -0.538 62.646 63.200 -0.026 0.000 0.818 380 S HN 0.466 nan 8.310 nan 0.000 0.472 381 I N -0.072 120.475 120.570 -0.037 0.000 2.179 381 I HA -0.138 4.077 4.170 0.076 0.000 0.242 381 I C 2.267 178.450 176.117 0.110 0.000 1.088 381 I CA 1.094 62.386 61.300 -0.014 0.000 1.357 381 I CB -0.366 37.568 38.000 -0.110 0.000 1.051 381 I HN 0.404 nan 8.210 nan 0.000 0.409 382 W N 1.520 122.806 121.300 -0.023 0.000 2.358 382 W HA -0.200 4.506 4.660 0.076 0.000 0.303 382 W C 2.689 179.195 176.519 -0.022 0.000 1.208 382 W CA 1.156 58.490 57.345 -0.018 0.000 1.274 382 W CB -0.871 28.575 29.460 -0.023 0.000 1.138 382 W HN 0.085 nan 8.180 nan 0.000 0.515 383 K N 1.638 122.152 120.400 0.189 0.000 2.002 383 K HA -0.218 4.148 4.320 0.076 0.000 0.209 383 K C 2.050 178.693 176.600 0.072 0.000 1.048 383 K CA 2.587 58.928 56.287 0.089 0.000 0.930 383 K CB -0.778 31.751 32.500 0.048 0.000 0.714 383 K HN 0.183 nan 8.250 nan 0.000 0.438 384 K N -0.785 119.657 120.400 0.069 0.000 2.103 384 K HA -0.052 4.314 4.320 0.076 0.000 0.204 384 K C 1.347 177.986 176.600 0.065 0.000 1.052 384 K CA 1.565 57.884 56.287 0.054 0.000 0.945 384 K CB -0.216 32.307 32.500 0.038 0.000 0.722 384 K HN 0.009 nan 8.250 nan 0.000 0.443 385 N N 0.317 119.074 118.700 0.094 0.000 2.376 385 N HA -0.024 4.761 4.740 0.076 0.000 0.177 385 N C 1.090 176.656 175.510 0.093 0.000 1.024 385 N CA 0.712 53.822 53.050 0.101 0.000 0.893 385 N CB 0.220 38.791 38.487 0.139 0.000 0.980 385 N HN 0.208 nan 8.380 nan 0.000 0.439 386 L N -1.531 119.749 121.223 0.095 0.000 3.217 386 L HA 0.422 4.808 4.340 0.076 0.000 0.288 386 L C 0.731 177.612 176.870 0.018 0.000 1.202 386 L CA 0.410 55.278 54.840 0.047 0.000 1.027 386 L CB 0.100 42.173 42.059 0.024 0.000 1.427 386 L HN 0.188 nan 8.230 nan 0.000 0.600 387 G N 0.633 109.452 108.800 0.032 0.000 2.160 387 G HA2 -0.225 3.781 3.960 0.076 0.000 0.251 387 G HA3 -0.225 3.781 3.960 0.076 0.000 0.251 387 G C 0.221 175.114 174.900 -0.013 0.000 1.008 387 G CA 0.511 45.619 45.100 0.014 0.000 0.724 387 G HN 0.809 nan 8.290 nan 0.000 0.514 388 V N -2.600 117.300 119.914 -0.023 0.000 2.617 388 V HA 0.784 4.949 4.120 0.076 0.000 0.298 388 V C -0.030 176.018 176.094 -0.076 0.000 1.048 388 V CA -1.705 60.550 62.300 -0.077 0.000 0.964 388 V CB 1.857 33.608 31.823 -0.120 0.000 1.004 388 V HN 0.185 nan 8.190 nan 0.000 0.466 389 N N 2.525 121.143 118.700 -0.137 0.000 2.408 389 N HA 0.651 5.437 4.740 0.076 0.000 0.280 389 N C -0.881 174.436 175.510 -0.322 0.000 1.002 389 N CA -0.254 52.707 53.050 -0.148 0.000 0.907 389 N CB 2.044 40.477 38.487 -0.091 0.000 1.161 389 N HN 0.655 nan 8.380 nan 0.000 0.488 390 V N 2.042 121.802 119.914 -0.257 0.000 2.769 390 V HA 0.396 4.562 4.120 0.076 0.000 0.312 390 V C -0.167 175.842 176.094 -0.140 0.000 1.061 390 V CA -0.977 61.106 62.300 -0.362 0.000 0.931 390 V CB 2.041 33.669 31.823 -0.325 0.000 1.010 390 V HN 0.575 nan 8.190 nan 0.000 0.433 391 N N 2.828 121.474 118.700 -0.089 0.000 2.501 391 N HA 0.524 5.310 4.740 0.076 0.000 0.245 391 N C -1.042 174.511 175.510 0.071 0.000 0.974 391 N CA -0.621 52.432 53.050 0.006 0.000 0.941 391 N CB 1.279 39.779 38.487 0.023 0.000 1.122 391 N HN 0.427 nan 8.380 nan 0.000 0.507 392 L N 2.328 123.611 121.223 0.100 0.000 2.453 392 L HA 0.161 4.546 4.340 0.076 0.000 0.272 392 L C 0.137 177.110 176.870 0.172 0.000 1.182 392 L CA 0.715 55.672 54.840 0.195 0.000 0.858 392 L CB 0.218 42.420 42.059 0.239 0.000 1.120 392 L HN 0.546 nan 8.230 nan 0.000 0.474 393 E N 2.781 123.079 120.200 0.163 0.000 2.278 393 E HA 0.324 4.720 4.350 0.076 0.000 0.272 393 E C -1.248 175.173 176.600 -0.299 0.000 0.890 393 E CA -0.844 55.556 56.400 0.000 0.000 0.770 393 E CB 1.583 31.301 29.700 0.031 0.000 1.212 393 E HN 0.571 nan 8.360 nan 0.000 0.415 394 N N 2.633 121.056 118.700 -0.461 0.000 2.456 394 N HA 0.311 5.097 4.740 0.076 0.000 0.296 394 N C -0.735 174.579 175.510 -0.326 0.000 1.102 394 N CA -0.616 51.957 53.050 -0.794 0.000 0.924 394 N CB 2.091 40.126 38.487 -0.753 0.000 1.186 394 N HN 0.466 nan 8.380 nan 0.000 0.492 395 Q N -0.019 119.623 119.800 -0.263 0.000 2.345 395 Q HA 0.217 4.602 4.340 0.076 0.000 0.275 395 Q C -1.009 174.966 176.000 -0.041 0.000 1.063 395 Q CA -0.721 55.033 55.803 -0.081 0.000 0.819 395 Q CB 2.650 31.405 28.738 0.027 0.000 1.356 395 Q HN 0.558 nan 8.270 nan 0.000 0.418 396 E N 1.559 121.770 120.200 0.019 0.000 2.437 396 E HA -0.157 4.239 4.350 0.076 0.000 0.263 396 E C 0.390 177.100 176.600 0.182 0.000 1.030 396 E CA 0.415 56.865 56.400 0.082 0.000 0.934 396 E CB 0.533 30.280 29.700 0.078 0.000 0.943 396 E HN 0.718 nan 8.360 nan 0.000 0.444 397 W N 4.502 125.808 121.300 0.010 0.000 2.284 397 W HA -0.375 4.331 4.660 0.077 0.000 0.337 397 W C 2.048 178.655 176.519 0.146 0.000 1.322 397 W CA 2.177 59.571 57.345 0.081 0.000 1.245 397 W CB -0.166 29.318 29.460 0.039 0.000 1.141 397 W HN 0.638 nan 8.180 nan 0.000 0.465 398 K N -0.464 120.003 120.400 0.112 0.000 2.074 398 K HA -0.211 4.154 4.320 0.076 0.000 0.209 398 K C 1.923 178.491 176.600 -0.054 0.000 1.048 398 K CA 2.503 58.760 56.287 -0.050 0.000 0.926 398 K CB -0.565 31.977 32.500 0.069 0.000 0.713 398 K HN 0.068 nan 8.250 nan 0.000 0.444 399 T N 0.845 115.412 114.554 0.022 0.000 2.746 399 T HA -0.141 4.254 4.350 0.076 0.000 0.267 399 T C 1.355 176.058 174.700 0.006 0.000 1.039 399 T CA 1.329 63.438 62.100 0.015 0.000 1.142 399 T CB -0.401 68.489 68.868 0.037 0.000 0.866 399 T HN 0.338 nan 8.240 nan 0.000 0.444 400 F N 2.034 121.894 119.950 -0.149 0.000 2.091 400 F HA -0.098 4.474 4.527 0.075 0.000 0.299 400 F C 1.840 177.454 175.800 -0.309 0.000 1.103 400 F CA 1.217 59.090 58.000 -0.211 0.000 1.228 400 F CB -0.587 38.308 39.000 -0.175 0.000 0.984 400 F HN 0.068 nan 8.300 nan 0.000 0.477 401 L N -0.115 120.844 121.223 -0.440 0.000 2.056 401 L HA -0.192 4.194 4.340 0.076 0.000 0.207 401 L C 2.220 178.919 176.870 -0.284 0.000 1.078 401 L CA 1.822 56.328 54.840 -0.556 0.000 0.749 401 L CB -0.971 40.787 42.059 -0.502 0.000 0.901 401 L HN 0.152 nan 8.230 nan 0.000 0.433 402 D N -0.392 119.920 120.400 -0.146 0.000 2.123 402 D HA -0.187 4.499 4.640 0.076 0.000 0.196 402 D C 2.007 178.272 176.300 -0.058 0.000 0.992 402 D CA 1.695 55.673 54.000 -0.037 0.000 0.833 402 D CB 0.179 40.961 40.800 -0.030 0.000 0.954 402 D HN 0.118 nan 8.370 nan 0.000 0.455 403 T N -0.303 114.176 114.554 -0.126 0.000 2.684 403 T HA -0.166 4.230 4.350 0.076 0.000 0.267 403 T C 1.996 176.594 174.700 -0.171 0.000 1.036 403 T CA 1.300 63.332 62.100 -0.112 0.000 1.148 403 T CB -0.206 68.590 68.868 -0.121 0.000 0.863 403 T HN 0.178 nan 8.240 nan 0.000 0.436 404 R N -0.090 120.127 120.500 -0.471 0.000 2.075 404 R HA -0.044 4.341 4.340 0.076 0.000 0.232 404 R C 2.540 178.751 176.300 -0.149 0.000 1.126 404 R CA 1.175 56.909 56.100 -0.610 0.000 0.963 404 R CB -0.342 29.375 30.300 -0.971 0.000 0.858 404 R HN 0.507 nan 8.270 nan 0.000 0.435 405 H N 0.846 119.868 119.070 -0.081 0.000 2.352 405 H HA -0.115 4.486 4.556 0.075 0.000 0.299 405 H C 2.001 177.421 175.328 0.154 0.000 1.097 405 H CA 1.459 57.522 56.048 0.024 0.000 1.311 405 H CB 0.051 29.784 29.762 -0.049 0.000 1.377 405 H HN 0.368 nan 8.280 nan 0.000 0.504 406 Q N -0.395 119.518 119.800 0.188 0.000 2.291 406 Q HA -0.018 4.368 4.340 0.076 0.000 0.205 406 Q C 1.208 177.256 176.000 0.081 0.000 0.970 406 Q CA 0.698 56.578 55.803 0.127 0.000 0.876 406 Q CB 0.312 29.093 28.738 0.072 0.000 0.935 406 Q HN 0.649 nan 8.270 nan 0.000 0.455 407 G N 1.534 110.430 108.800 0.159 0.000 2.160 407 G HA2 -0.256 3.750 3.960 0.076 0.000 0.244 407 G HA3 -0.256 3.750 3.960 0.076 0.000 0.244 407 G C 0.305 175.223 174.900 0.031 0.000 1.022 407 G CA 0.507 45.571 45.100 -0.060 0.000 0.741 407 G HN 0.390 nan 8.290 nan 0.000 0.508 408 T N -1.073 113.589 114.554 0.179 0.000 3.540 408 T HA 0.620 5.016 4.350 0.076 0.000 0.269 408 T C -0.044 174.790 174.700 0.223 0.000 1.481 408 T CA 0.043 62.212 62.100 0.115 0.000 1.224 408 T CB -0.594 68.317 68.868 0.073 0.000 1.192 408 T HN 1.613 nan 8.240 nan 0.000 0.756 409 F N -1.620 118.298 119.950 -0.054 0.000 2.779 409 F HA 0.709 5.282 4.527 0.076 0.000 0.316 409 F C -0.973 174.787 175.800 -0.066 0.000 1.164 409 F CA -1.284 56.692 58.000 -0.040 0.000 0.924 409 F CB 0.703 39.667 39.000 -0.059 0.000 1.348 409 F HN -0.117 nan 8.300 nan 0.000 0.467 410 D N 0.572 120.977 120.400 0.007 0.000 2.999 410 D HA 0.290 4.975 4.640 0.076 0.000 0.273 410 D C -0.332 175.650 176.300 -0.530 0.000 1.485 410 D CA 1.025 54.816 54.000 -0.349 0.000 1.101 410 D CB 0.514 41.296 40.800 -0.030 0.000 1.109 410 D HN 0.253 nan 8.370 nan 0.000 0.368 411 V N 0.488 120.368 119.914 -0.055 0.000 2.769 411 V HA 0.778 4.944 4.120 0.076 0.000 0.312 411 V C -0.535 175.791 176.094 0.386 0.000 1.061 411 V CA -0.841 61.529 62.300 0.116 0.000 0.931 411 V CB 1.771 33.672 31.823 0.130 0.000 1.010 411 V HN 0.366 nan 8.190 nan 0.000 0.433 412 A N 3.499 126.522 122.820 0.338 0.000 2.475 412 A HA 0.779 5.144 4.320 0.076 0.000 0.301 412 A C -0.419 177.274 177.584 0.183 0.000 1.059 412 A CA -0.791 51.363 52.037 0.195 0.000 0.710 412 A CB 1.720 20.576 19.000 -0.240 0.000 1.288 412 A HN 0.735 nan 8.150 nan 0.000 0.408 413 R N 1.028 121.658 120.500 0.217 0.000 2.643 413 R HA 0.544 4.930 4.340 0.076 0.000 0.270 413 R C -0.370 175.712 176.300 -0.364 0.000 1.061 413 R CA 1.021 57.009 56.100 -0.187 0.000 1.107 413 R CB 0.576 30.847 30.300 -0.048 0.000 0.999 413 R HN 1.360 nan 8.270 nan 0.000 0.460 414 A N 1.548 123.855 122.820 -0.856 0.000 2.610 414 A HA 0.681 5.046 4.320 0.076 0.000 0.291 414 A C -1.124 175.901 177.584 -0.932 0.000 1.086 414 A CA -0.158 51.366 52.037 -0.855 0.000 0.677 414 A CB 1.919 20.217 19.000 -1.170 0.000 1.278 414 A HN 0.811 nan 8.150 nan 0.000 0.414 415 G N -0.242 108.324 108.800 -0.389 0.000 2.734 415 G HA2 0.512 4.518 3.960 0.076 0.000 0.293 415 G HA3 0.512 4.518 3.960 0.076 0.000 0.293 415 G C -1.391 173.672 174.900 0.271 0.000 1.422 415 G CA -0.189 44.927 45.100 0.026 0.000 1.177 415 G HN 0.972 nan 8.290 nan 0.000 0.565 416 W N 3.105 124.526 121.300 0.201 0.000 2.587 416 W HA 0.562 5.270 4.660 0.080 0.000 0.324 416 W C -1.154 175.194 176.519 -0.286 0.000 1.040 416 W CA -0.823 56.475 57.345 -0.079 0.000 1.222 416 W CB 1.961 31.303 29.460 -0.198 0.000 1.381 416 W HN 0.510 nan 8.180 nan 0.000 0.483 417 c N 4.611 122.658 118.600 -0.921 0.000 2.351 417 c HA 0.630 5.245 4.570 0.076 0.000 0.326 417 c C 0.888 174.418 174.090 -0.933 0.000 1.272 417 c CA -0.502 55.372 56.329 -0.758 0.000 1.650 417 c CB 0.436 42.578 42.510 -0.613 0.000 2.257 417 c HN 0.692 nan 8.230 nan 0.000 0.505 418 A N 2.522 125.063 122.820 -0.467 0.000 2.520 418 A HA 0.179 4.545 4.320 0.076 0.000 0.235 418 A C 0.844 178.281 177.584 -0.246 0.000 1.065 418 A CA 0.397 52.248 52.037 -0.310 0.000 0.764 418 A CB 0.217 19.184 19.000 -0.055 0.000 1.002 418 A HN 0.921 nan 8.150 nan 0.000 0.502 419 D N -0.898 119.412 120.400 -0.150 0.000 2.388 419 D HA 0.171 4.856 4.640 0.076 0.000 0.208 419 D C -0.393 176.049 176.300 0.236 0.000 1.035 419 D CA 1.374 55.425 54.000 0.085 0.000 0.875 419 D CB 0.213 41.117 40.800 0.173 0.000 0.984 419 D HN 0.664 nan 8.370 nan 0.000 0.508 420 Y N -1.475 118.861 120.300 0.059 0.000 2.544 420 Y HA 0.468 5.062 4.550 0.073 0.000 0.342 420 Y C -0.772 175.118 175.900 -0.015 0.000 1.062 420 Y CA -1.559 56.554 58.100 0.022 0.000 1.023 420 Y CB 0.439 38.901 38.460 0.003 0.000 1.308 420 Y HN -0.400 nan 8.280 nan 0.000 0.457 421 N N 3.195 121.925 118.700 0.050 0.000 2.663 421 N HA 0.221 5.007 4.740 0.076 0.000 0.250 421 N C -1.147 174.318 175.510 -0.076 0.000 1.129 421 N CA 0.428 53.454 53.050 -0.040 0.000 0.995 421 N CB -0.126 38.374 38.487 0.021 0.000 1.324 421 N HN 0.771 nan 8.380 nan 0.000 0.512 422 E N 2.821 122.888 120.200 -0.222 0.000 2.422 422 E HA 0.200 4.595 4.350 0.076 0.000 0.289 422 E C -2.415 173.919 176.600 -0.443 0.000 0.985 422 E CA -1.336 54.891 56.400 -0.289 0.000 0.812 422 E CB 1.657 31.192 29.700 -0.275 0.000 1.226 422 E HN 0.092 nan 8.360 nan 0.000 0.419 423 P HA -0.157 nan 4.420 nan 0.000 0.217 423 P C 1.194 178.129 177.300 -0.610 0.000 1.148 423 P CA 2.242 64.957 63.100 -0.641 0.000 0.828 423 P CB 0.112 31.218 31.700 -0.990 0.000 0.783 424 T N -4.743 109.426 114.554 -0.641 0.000 3.007 424 T HA -0.082 4.314 4.350 0.076 0.000 0.270 424 T C 1.972 176.470 174.700 -0.337 0.000 1.107 424 T CA 1.229 63.109 62.100 -0.366 0.000 1.118 424 T CB -1.117 67.689 68.868 -0.104 0.000 0.889 424 T HN -0.009 nan 8.240 nan 0.000 0.506 425 S N -0.154 115.199 115.700 -0.579 0.000 2.399 425 S HA -0.002 4.513 4.470 0.076 0.000 0.231 425 S C 1.321 175.797 174.600 -0.208 0.000 1.022 425 S CA 0.724 58.541 58.200 -0.639 0.000 0.983 425 S CB -0.566 62.004 63.200 -1.049 0.000 0.803 425 S HN 0.553 nan 8.310 nan 0.000 0.480 426 F N 1.067 120.805 119.950 -0.353 0.000 2.164 426 F HA 0.292 4.863 4.527 0.073 0.000 0.287 426 F C 2.014 177.611 175.800 -0.338 0.000 1.086 426 F CA 0.640 58.373 58.000 -0.445 0.000 1.249 426 F CB -0.677 37.937 39.000 -0.644 0.000 1.059 426 F HN 0.097 nan 8.300 nan 0.000 0.490 427 L N 0.108 121.317 121.223 -0.024 0.000 2.079 427 L HA -0.267 4.118 4.340 0.076 0.000 0.210 427 L C 1.960 178.891 176.870 0.101 0.000 1.081 427 L CA 1.065 55.987 54.840 0.136 0.000 0.752 427 L CB -0.747 41.346 42.059 0.056 0.000 0.896 427 L HN 0.160 nan 8.230 nan 0.000 0.433 428 N N -0.462 118.132 118.700 -0.177 0.000 2.364 428 N HA -0.152 4.634 4.740 0.076 0.000 0.183 428 N C 1.916 177.269 175.510 -0.261 0.000 1.022 428 N CA 1.758 54.619 53.050 -0.316 0.000 0.883 428 N CB -0.433 37.431 38.487 -1.037 0.000 0.965 428 N HN 0.485 nan 8.380 nan 0.000 0.438 429 T N -2.351 112.018 114.554 -0.308 0.000 3.035 429 T HA 0.024 4.419 4.350 0.076 0.000 0.268 429 T C 1.416 176.010 174.700 -0.178 0.000 1.109 429 T CA 0.634 62.553 62.100 -0.302 0.000 1.119 429 T CB -0.004 68.442 68.868 -0.703 0.000 0.900 429 T HN -0.019 nan 8.240 nan 0.000 0.503 430 M N 0.887 120.451 119.600 -0.060 0.000 2.431 430 M HA 0.415 4.940 4.480 0.076 0.000 0.237 430 M C 0.224 176.588 176.300 0.107 0.000 1.130 430 M CA -0.188 55.040 55.300 -0.121 0.000 1.002 430 M CB -0.679 31.607 32.600 -0.522 0.000 1.524 430 M HN 0.296 nan 8.290 nan 0.000 0.482 431 L N 0.335 121.700 121.223 0.237 0.000 2.485 431 L HA 0.009 4.395 4.340 0.076 0.000 0.275 431 L C 1.725 178.660 176.870 0.108 0.000 1.207 431 L CA -0.318 54.673 54.840 0.251 0.000 0.855 431 L CB 0.367 42.546 42.059 0.201 0.000 1.114 431 L HN 0.229 nan 8.230 nan 0.000 0.485 432 S N 1.254 116.994 115.700 0.067 0.000 2.372 432 S HA -0.213 4.302 4.470 0.076 0.000 0.227 432 S C 1.182 175.787 174.600 0.007 0.000 1.044 432 S CA 1.912 60.109 58.200 -0.004 0.000 1.050 432 S CB -0.290 62.899 63.200 -0.018 0.000 0.901 432 S HN 0.925 nan 8.310 nan 0.000 0.447 433 D N 0.723 121.141 120.400 0.030 0.000 2.328 433 D HA 0.149 4.834 4.640 0.076 0.000 0.221 433 D C 0.337 176.654 176.300 0.028 0.000 1.072 433 D CA -0.027 53.987 54.000 0.023 0.000 0.850 433 D CB -0.363 40.452 40.800 0.025 0.000 0.922 433 D HN 0.175 nan 8.370 nan 0.000 0.516 434 S N 0.370 116.098 115.700 0.047 0.000 2.549 434 S HA 0.082 4.598 4.470 0.076 0.000 0.286 434 S C 1.539 176.139 174.600 0.001 0.000 1.314 434 S CA 0.106 58.348 58.200 0.069 0.000 1.062 434 S CB 0.679 63.933 63.200 0.091 0.000 0.865 434 S HN 0.319 nan 8.310 nan 0.000 0.498 435 S N 3.750 119.436 115.700 -0.023 0.000 2.507 435 S HA -0.053 4.463 4.470 0.076 0.000 0.235 435 S C 0.886 175.463 174.600 -0.037 0.000 0.988 435 S CA 0.948 59.117 58.200 -0.052 0.000 0.944 435 S CB -0.559 62.585 63.200 -0.094 0.000 0.762 435 S HN 0.840 nan 8.310 nan 0.000 0.526 436 N N 1.729 120.387 118.700 -0.071 0.000 2.322 436 N HA 0.154 4.939 4.740 0.076 0.000 0.194 436 N C -0.061 175.312 175.510 -0.227 0.000 1.126 436 N CA -0.097 52.864 53.050 -0.148 0.000 0.845 436 N CB -0.022 38.291 38.487 -0.290 0.000 0.976 436 N HN 0.234 nan 8.380 nan 0.000 0.475 437 N N 1.166 119.755 118.700 -0.185 0.000 2.605 437 N HA 0.013 4.798 4.740 0.076 0.000 0.258 437 N C 0.388 175.646 175.510 -0.421 0.000 1.156 437 N CA 0.187 53.083 53.050 -0.258 0.000 1.008 437 N CB 0.302 38.686 38.487 -0.173 0.000 1.354 437 N HN 0.209 nan 8.380 nan 0.000 0.509 438 T N -1.353 112.947 114.554 -0.422 0.000 3.107 438 T HA 0.166 4.561 4.350 0.076 0.000 0.249 438 T C 1.494 176.097 174.700 -0.162 0.000 1.096 438 T CA 0.240 62.067 62.100 -0.455 0.000 1.012 438 T CB 0.268 68.846 68.868 -0.483 0.000 0.977 438 T HN 0.271 nan 8.240 nan 0.000 0.527 439 A N 0.951 123.678 122.820 -0.154 0.000 2.169 439 A HA 0.188 4.554 4.320 0.076 0.000 0.212 439 A C 0.767 178.396 177.584 0.075 0.000 1.153 439 A CA 0.347 52.383 52.037 -0.002 0.000 0.756 439 A CB -0.850 18.076 19.000 -0.123 0.000 0.813 439 A HN 0.683 nan 8.150 nan 0.000 0.471 440 H N -3.403 115.659 119.070 -0.014 0.000 2.770 440 H HA -0.230 4.372 4.556 0.076 0.000 0.309 440 H C -0.330 175.002 175.328 0.008 0.000 1.206 440 H CA 1.040 57.079 56.048 -0.016 0.000 1.147 440 H CB -2.288 27.447 29.762 -0.045 0.000 1.422 440 H HN 0.677 nan 8.280 nan 0.000 0.420 441 Y N 1.421 121.663 120.300 -0.096 0.000 2.313 441 Y HA 0.411 5.007 4.550 0.076 0.000 0.332 441 Y C -0.202 175.635 175.900 -0.105 0.000 1.071 441 Y CA -0.776 57.248 58.100 -0.127 0.000 1.169 441 Y CB 0.811 39.130 38.460 -0.235 0.000 1.192 441 Y HN 0.087 nan 8.280 nan 0.000 0.487 442 K N 5.233 125.313 120.400 -0.533 0.000 2.656 442 K HA 0.310 4.675 4.320 0.076 0.000 0.241 442 K C -1.328 174.933 176.600 -0.564 0.000 0.967 442 K CA -0.563 55.466 56.287 -0.430 0.000 0.946 442 K CB 1.561 33.950 32.500 -0.185 0.000 1.164 442 K HN 0.561 nan 8.250 nan 0.000 0.459 443 S N 3.296 118.647 115.700 -0.583 0.000 2.659 443 S HA 0.383 4.898 4.470 0.076 0.000 0.312 443 S C -2.215 172.346 174.600 -0.064 0.000 1.114 443 S CA -1.684 56.317 58.200 -0.332 0.000 1.063 443 S CB 1.272 64.232 63.200 -0.399 0.000 0.996 443 S HN 0.189 nan 8.310 nan 0.000 0.478 444 P HA -0.026 nan 4.420 nan 0.000 0.216 444 P C 1.415 178.740 177.300 0.041 0.000 1.150 444 P CA 1.437 64.542 63.100 0.007 0.000 0.837 444 P CB 0.127 31.825 31.700 -0.004 0.000 0.786 445 A N -1.243 121.611 122.820 0.057 0.000 1.898 445 A HA -0.188 4.178 4.320 0.076 0.000 0.216 445 A C 2.115 179.768 177.584 0.114 0.000 1.181 445 A CA 1.289 53.372 52.037 0.077 0.000 0.620 445 A CB -1.800 17.250 19.000 0.083 0.000 0.819 445 A HN 0.160 nan 8.150 nan 0.000 0.442 446 F N 1.322 121.296 119.950 0.040 0.000 2.102 446 F HA -0.185 4.387 4.527 0.075 0.000 0.298 446 F C 1.767 177.606 175.800 0.065 0.000 1.105 446 F CA 2.114 60.167 58.000 0.088 0.000 1.239 446 F CB -0.155 38.958 39.000 0.188 0.000 0.991 446 F HN 0.233 nan 8.300 nan 0.000 0.474 447 D N 0.431 120.923 120.400 0.155 0.000 2.123 447 D HA -0.202 4.483 4.640 0.076 0.000 0.196 447 D C 2.099 178.384 176.300 -0.025 0.000 0.992 447 D CA 1.368 55.402 54.000 0.058 0.000 0.833 447 D CB -0.427 40.427 40.800 0.089 0.000 0.954 447 D HN 0.165 nan 8.370 nan 0.000 0.455 448 K N 0.929 121.323 120.400 -0.011 0.000 2.057 448 K HA -0.038 4.327 4.320 0.076 0.000 0.207 448 K C 2.124 178.695 176.600 -0.048 0.000 1.049 448 K CA 0.758 57.035 56.287 -0.016 0.000 0.931 448 K CB -0.617 31.883 32.500 -0.000 0.000 0.714 448 K HN 0.143 nan 8.250 nan 0.000 0.440 449 L N 0.249 121.418 121.223 -0.090 0.000 2.012 449 L HA -0.182 4.204 4.340 0.076 0.000 0.210 449 L C 2.177 178.974 176.870 -0.121 0.000 1.073 449 L CA 0.851 55.625 54.840 -0.111 0.000 0.748 449 L CB -0.468 41.505 42.059 -0.144 0.000 0.891 449 L HN 0.158 nan 8.230 nan 0.000 0.431 450 I N 0.072 120.525 120.570 -0.195 0.000 2.315 450 I HA -0.199 4.016 4.170 0.076 0.000 0.248 450 I C 2.825 178.953 176.117 0.019 0.000 1.117 450 I CA 1.444 62.693 61.300 -0.084 0.000 1.404 450 I CB -1.594 36.306 38.000 -0.166 0.000 1.071 450 I HN 0.168 nan 8.210 nan 0.000 0.419 451 A N 0.631 123.459 122.820 0.013 0.000 1.940 451 A HA -0.224 4.142 4.320 0.076 0.000 0.219 451 A C 1.973 179.565 177.584 0.013 0.000 1.176 451 A CA 1.905 53.969 52.037 0.044 0.000 0.631 451 A CB -0.615 18.408 19.000 0.040 0.000 0.814 451 A HN 0.323 nan 8.150 nan 0.000 0.446 452 D N -0.396 119.998 120.400 -0.009 0.000 2.178 452 D HA -0.123 4.563 4.640 0.076 0.000 0.201 452 D C 2.308 178.589 176.300 -0.032 0.000 0.980 452 D CA 1.887 55.872 54.000 -0.024 0.000 0.842 452 D CB -0.540 40.239 40.800 -0.036 0.000 0.948 452 D HN 0.645 nan 8.370 nan 0.000 0.472 453 T N -1.456 113.085 114.554 -0.021 0.000 2.849 453 T HA -0.127 4.268 4.350 0.076 0.000 0.270 453 T C 1.869 176.572 174.700 0.005 0.000 1.066 453 T CA 0.794 62.873 62.100 -0.033 0.000 1.130 453 T CB -0.299 68.594 68.868 0.042 0.000 0.864 453 T HN 0.172 nan 8.240 nan 0.000 0.481 454 L N -1.089 120.136 121.223 0.003 0.000 2.640 454 L HA 0.391 4.776 4.340 0.076 0.000 0.230 454 L C 2.158 179.002 176.870 -0.043 0.000 1.123 454 L CA -0.080 54.741 54.840 -0.031 0.000 0.900 454 L CB 0.143 42.131 42.059 -0.120 0.000 1.146 454 L HN 0.056 nan 8.230 nan 0.000 0.484 455 K N 0.152 120.532 120.400 -0.033 0.000 2.243 455 K HA 0.046 4.412 4.320 0.076 0.000 0.201 455 K C 0.643 177.231 176.600 -0.019 0.000 1.051 455 K CA 0.419 56.690 56.287 -0.026 0.000 0.970 455 K CB -0.084 32.402 32.500 -0.022 0.000 0.755 455 K HN 0.163 nan 8.250 nan 0.000 0.465 456 V N -1.992 117.907 119.914 -0.024 0.000 2.904 456 V HA 0.654 4.820 4.120 0.076 0.000 0.305 456 V C 0.273 176.361 176.094 -0.011 0.000 1.067 456 V CA -0.634 61.654 62.300 -0.021 0.000 1.044 456 V CB 1.524 33.325 31.823 -0.038 0.000 1.050 456 V HN 0.002 nan 8.190 nan 0.000 0.475 457 A N 1.839 124.659 122.820 -0.000 0.000 2.855 457 A HA 0.525 4.890 4.320 0.076 0.000 0.301 457 A C -0.091 177.500 177.584 0.011 0.000 1.076 457 A CA -0.114 51.932 52.037 0.015 0.000 1.004 457 A CB -0.657 18.366 19.000 0.037 0.000 1.152 457 A HN 0.948 nan 8.150 nan 0.000 0.531 458 D N -0.751 119.646 120.400 -0.005 0.000 2.896 458 D HA 0.226 4.911 4.640 0.076 0.000 0.241 458 D C -0.368 175.919 176.300 -0.022 0.000 1.188 458 D CA -0.276 53.719 54.000 -0.008 0.000 0.879 458 D CB 1.647 42.439 40.800 -0.013 0.000 1.553 458 D HN 0.037 nan 8.370 nan 0.000 0.515 459 D N 1.559 121.955 120.400 -0.007 0.000 2.234 459 D HA -0.064 4.621 4.640 0.076 0.000 0.205 459 D C 1.261 177.538 176.300 -0.038 0.000 0.962 459 D CA 0.920 54.914 54.000 -0.011 0.000 0.855 459 D CB 0.589 41.405 40.800 0.026 0.000 0.951 459 D HN 0.438 nan 8.370 nan 0.000 0.500 460 T N 0.945 115.482 114.554 -0.029 0.000 2.777 460 T HA -0.122 4.274 4.350 0.076 0.000 0.266 460 T C 1.980 176.639 174.700 -0.068 0.000 1.040 460 T CA 0.920 62.998 62.100 -0.036 0.000 1.141 460 T CB -0.036 68.821 68.868 -0.018 0.000 0.868 460 T HN 0.219 nan 8.240 nan 0.000 0.444 461 Q N 0.464 120.222 119.800 -0.071 0.000 2.124 461 Q HA -0.074 4.311 4.340 0.076 0.000 0.202 461 Q C 2.523 178.421 176.000 -0.169 0.000 0.977 461 Q CA 1.118 56.866 55.803 -0.091 0.000 0.850 461 Q CB -0.151 28.545 28.738 -0.070 0.000 0.901 461 Q HN 0.370 nan 8.270 nan 0.000 0.429 462 R N 0.238 120.608 120.500 -0.218 0.000 2.073 462 R HA -0.124 4.262 4.340 0.076 0.000 0.234 462 R C 2.340 178.222 176.300 -0.696 0.000 1.134 462 R CA 1.671 57.501 56.100 -0.450 0.000 0.952 462 R CB -0.084 30.015 30.300 -0.337 0.000 0.850 462 R HN 0.101 nan 8.270 nan 0.000 0.433 463 S N 0.571 116.055 115.700 -0.359 0.000 2.382 463 S HA -0.145 4.371 4.470 0.076 0.000 0.228 463 S C 1.595 176.127 174.600 -0.113 0.000 1.027 463 S CA 1.398 59.503 58.200 -0.158 0.000 0.991 463 S CB -0.133 63.054 63.200 -0.021 0.000 0.823 463 S HN 0.429 nan 8.310 nan 0.000 0.469 464 E N 0.728 120.857 120.200 -0.119 0.000 2.110 464 E HA -0.086 4.309 4.350 0.076 0.000 0.193 464 E C 1.973 178.527 176.600 -0.076 0.000 0.988 464 E CA 0.842 57.200 56.400 -0.069 0.000 0.804 464 E CB -0.219 29.447 29.700 -0.057 0.000 0.745 464 E HN 0.423 nan 8.360 nan 0.000 0.458 465 L N -0.049 121.081 121.223 -0.156 0.000 2.093 465 L HA -0.189 4.196 4.340 0.076 0.000 0.208 465 L C 2.259 179.106 176.870 -0.037 0.000 1.085 465 L CA 0.874 55.634 54.840 -0.133 0.000 0.755 465 L CB -0.386 41.552 42.059 -0.201 0.000 0.904 465 L HN 0.178 nan 8.230 nan 0.000 0.435 466 Y N -0.028 120.244 120.300 -0.047 0.000 2.181 466 Y HA -0.179 4.417 4.550 0.076 0.000 0.288 466 Y C 2.654 178.537 175.900 -0.028 0.000 1.146 466 Y CA 0.484 58.552 58.100 -0.053 0.000 1.164 466 Y CB -1.297 37.125 38.460 -0.063 0.000 0.982 466 Y HN 0.116 nan 8.280 nan 0.000 0.515 467 A N 0.482 123.378 122.820 0.126 0.000 1.892 467 A HA -0.250 4.116 4.320 0.076 0.000 0.218 467 A C 2.277 179.905 177.584 0.073 0.000 1.188 467 A CA 2.166 54.249 52.037 0.077 0.000 0.631 467 A CB -0.607 18.418 19.000 0.041 0.000 0.822 467 A HN 0.431 nan 8.150 nan 0.000 0.447 468 K N -0.518 119.914 120.400 0.054 0.000 2.097 468 K HA 0.019 4.385 4.320 0.076 0.000 0.205 468 K C 2.309 178.962 176.600 0.088 0.000 1.050 468 K CA 0.918 57.239 56.287 0.056 0.000 0.938 468 K CB -0.306 32.210 32.500 0.026 0.000 0.718 468 K HN 0.449 nan 8.250 nan 0.000 0.442 469 A N 1.944 124.808 122.820 0.074 0.000 1.902 469 A HA -0.194 4.172 4.320 0.076 0.000 0.217 469 A C 1.971 179.727 177.584 0.288 0.000 1.181 469 A CA 1.422 53.516 52.037 0.094 0.000 0.623 469 A CB -0.257 18.670 19.000 -0.121 0.000 0.818 469 A HN 0.176 nan 8.150 nan 0.000 0.443 470 E N -0.118 120.205 120.200 0.204 0.000 2.110 470 E HA -0.212 4.184 4.350 0.076 0.000 0.193 470 E C 2.178 178.873 176.600 0.159 0.000 0.988 470 E CA 1.336 57.845 56.400 0.182 0.000 0.804 470 E CB -0.344 29.424 29.700 0.114 0.000 0.745 470 E HN 0.783 nan 8.360 nan 0.000 0.458 471 Q N 0.238 120.121 119.800 0.138 0.000 2.124 471 Q HA -0.212 4.173 4.340 0.076 0.000 0.202 471 Q C 2.195 178.283 176.000 0.146 0.000 0.977 471 Q CA 1.397 57.275 55.803 0.125 0.000 0.850 471 Q CB -0.079 28.715 28.738 0.093 0.000 0.901 471 Q HN 0.091 nan 8.270 nan 0.000 0.429 472 Q N 0.734 120.648 119.800 0.190 0.000 2.084 472 Q HA -0.169 4.216 4.340 0.076 0.000 0.202 472 Q C 1.807 177.929 176.000 0.205 0.000 0.978 472 Q CA 1.137 57.077 55.803 0.228 0.000 0.844 472 Q CB -0.293 28.641 28.738 0.328 0.000 0.898 472 Q HN 0.296 nan 8.270 nan 0.000 0.426 473 L N 0.667 121.993 121.223 0.171 0.000 1.989 473 L HA -0.185 4.200 4.340 0.076 0.000 0.211 473 L C 1.905 178.730 176.870 -0.075 0.000 1.071 473 L CA 2.540 57.316 54.840 -0.106 0.000 0.749 473 L CB -0.945 41.012 42.059 -0.171 0.000 0.890 473 L HN 0.403 nan 8.230 nan 0.000 0.431 474 D N -0.921 119.505 120.400 0.043 0.000 2.117 474 D HA -0.266 4.420 4.640 0.076 0.000 0.197 474 D C 2.271 178.627 176.300 0.092 0.000 0.987 474 D CA 1.531 55.596 54.000 0.108 0.000 0.829 474 D CB -0.066 40.871 40.800 0.228 0.000 0.961 474 D HN 0.260 nan 8.370 nan 0.000 0.460 475 K N -0.152 120.310 120.400 0.104 0.000 2.044 475 K HA -0.170 4.196 4.320 0.076 0.000 0.210 475 K C 1.190 177.829 176.600 0.065 0.000 1.049 475 K CA 1.808 58.152 56.287 0.094 0.000 0.927 475 K CB -0.005 32.559 32.500 0.106 0.000 0.713 475 K HN 0.155 nan 8.250 nan 0.000 0.443 476 D N 0.103 120.544 120.400 0.068 0.000 2.347 476 D HA -0.016 4.670 4.640 0.076 0.000 0.215 476 D C -0.059 176.240 176.300 -0.002 0.000 0.976 476 D CA 0.486 54.527 54.000 0.069 0.000 0.884 476 D CB 0.215 41.129 40.800 0.191 0.000 0.915 476 D HN 0.062 nan 8.370 nan 0.000 0.526 477 S N -0.253 115.417 115.700 -0.051 0.000 3.628 477 S HA -0.239 4.276 4.470 0.076 0.000 0.373 477 S C 1.342 175.865 174.600 -0.129 0.000 0.968 477 S CA 0.256 58.403 58.200 -0.087 0.000 1.215 477 S CB -1.106 62.048 63.200 -0.077 0.000 0.912 477 S HN 0.518 nan 8.310 nan 0.000 0.495 478 A N 0.319 122.978 122.820 -0.268 0.000 1.930 478 A HA 0.272 4.637 4.320 0.076 0.000 0.217 478 A C 0.993 178.411 177.584 -0.277 0.000 1.175 478 A CA 1.486 53.276 52.037 -0.411 0.000 0.627 478 A CB -0.382 18.007 19.000 -1.018 0.000 0.815 478 A HN 1.067 nan 8.150 nan 0.000 0.443 479 I N -5.666 114.763 120.570 -0.234 0.000 3.457 479 I HA 0.662 4.877 4.170 0.076 0.000 0.307 479 I C -1.111 175.022 176.117 0.026 0.000 1.138 479 I CA -1.312 59.935 61.300 -0.088 0.000 0.974 479 I CB 2.217 40.093 38.000 -0.206 0.000 1.324 479 I HN -0.253 nan 8.210 nan 0.000 0.485 480 V N 2.164 122.185 119.914 0.178 0.000 2.284 480 V HA 0.405 4.570 4.120 0.076 0.000 0.274 480 V C -2.445 173.820 176.094 0.284 0.000 1.023 480 V CA -1.500 60.946 62.300 0.244 0.000 0.808 480 V CB 0.618 32.679 31.823 0.396 0.000 1.035 480 V HN 0.574 nan 8.190 nan 0.000 0.445 481 P HA 0.210 nan 4.420 nan 0.000 0.271 481 P C 0.424 177.838 177.300 0.189 0.000 1.216 481 P CA 0.337 63.545 63.100 0.180 0.000 0.771 481 P CB 1.662 33.433 31.700 0.119 0.000 0.864 482 V N 2.530 122.508 119.914 0.107 0.000 3.001 482 V HA 0.214 4.380 4.120 0.076 0.000 0.228 482 V C -0.121 175.969 176.094 -0.007 0.000 1.204 482 V CA 1.023 63.371 62.300 0.080 0.000 1.247 482 V CB -0.481 31.375 31.823 0.054 0.000 1.093 482 V HN 0.572 nan 8.190 nan 0.000 0.504 483 Y N -2.414 117.813 120.300 -0.122 0.000 2.638 483 Y HA 0.747 5.342 4.550 0.074 0.000 0.335 483 Y C -1.671 174.088 175.900 -0.234 0.000 1.155 483 Y CA -2.426 55.512 58.100 -0.269 0.000 1.046 483 Y CB 0.577 38.918 38.460 -0.198 0.000 1.303 483 Y HN 0.072 nan 8.280 nan 0.000 0.460 484 Y N 1.541 122.078 120.300 0.395 0.000 2.327 484 Y HA 0.427 5.023 4.550 0.076 0.000 0.336 484 Y C -0.388 175.841 175.900 0.549 0.000 1.035 484 Y CA -1.065 57.264 58.100 0.382 0.000 1.165 484 Y CB 0.217 38.886 38.460 0.349 0.000 1.181 484 Y HN 0.543 nan 8.280 nan 0.000 0.494 485 Y N 1.588 122.201 120.300 0.522 0.000 2.330 485 Y HA 0.358 4.954 4.550 0.076 0.000 0.341 485 Y C 0.554 176.672 175.900 0.365 0.000 1.278 485 Y CA -0.898 57.479 58.100 0.462 0.000 1.453 485 Y CB 0.402 39.085 38.460 0.371 0.000 1.342 485 Y HN 0.387 nan 8.280 nan 0.000 0.590 486 V N -0.232 119.944 119.914 0.437 0.000 2.769 486 V HA 0.496 4.661 4.120 0.076 0.000 0.312 486 V C -0.400 175.907 176.094 0.354 0.000 1.058 486 V CA -1.285 61.190 62.300 0.293 0.000 0.952 486 V CB 1.858 33.741 31.823 0.101 0.000 1.019 486 V HN 0.735 nan 8.190 nan 0.000 0.445 487 N N 2.474 121.270 118.700 0.160 0.000 2.602 487 N HA 0.535 5.321 4.740 0.076 0.000 0.238 487 N C -0.357 175.102 175.510 -0.085 0.000 1.084 487 N CA 0.125 53.090 53.050 -0.140 0.000 0.952 487 N CB 0.663 38.815 38.487 -0.559 0.000 1.244 487 N HN 1.159 nan 8.380 nan 0.000 0.512 488 A N 4.081 126.870 122.820 -0.051 0.000 2.271 488 A HA 0.776 5.141 4.320 0.076 0.000 0.317 488 A C -0.124 177.417 177.584 -0.071 0.000 1.245 488 A CA -0.665 51.351 52.037 -0.034 0.000 0.857 488 A CB 0.533 19.480 19.000 -0.088 0.000 1.175 488 A HN 0.803 nan 8.150 nan 0.000 0.512 489 R N 1.553 122.014 120.500 -0.066 0.000 2.752 489 R HA 0.764 5.149 4.340 0.076 0.000 0.271 489 R C -1.712 174.481 176.300 -0.178 0.000 1.026 489 R CA -0.976 55.040 56.100 -0.141 0.000 0.901 489 R CB 0.990 31.169 30.300 -0.202 0.000 1.243 489 R HN 0.408 nan 8.270 nan 0.000 0.463 490 L N 1.219 122.240 121.223 -0.336 0.000 2.309 490 L HA 0.736 5.122 4.340 0.076 0.000 0.282 490 L C -0.711 175.920 176.870 -0.398 0.000 1.036 490 L CA -1.373 53.151 54.840 -0.528 0.000 0.806 490 L CB 1.897 43.227 42.059 -1.215 0.000 1.220 490 L HN 0.335 nan 8.230 nan 0.000 0.429 491 V N 2.623 122.434 119.914 -0.171 0.000 2.623 491 V HA 0.351 4.516 4.120 0.076 0.000 0.304 491 V C -0.075 175.969 176.094 -0.084 0.000 1.054 491 V CA -1.081 61.174 62.300 -0.075 0.000 0.882 491 V CB 2.100 33.842 31.823 -0.135 0.000 1.002 491 V HN 0.616 nan 8.190 nan 0.000 0.424 492 K N 4.657 124.881 120.400 -0.293 0.000 2.276 492 K HA 0.270 4.635 4.320 0.076 0.000 0.259 492 K C -1.674 174.475 176.600 -0.750 0.000 1.001 492 K CA -1.753 54.033 56.287 -0.834 0.000 0.927 492 K CB 0.912 32.330 32.500 -1.803 0.000 0.969 492 K HN 0.281 nan 8.250 nan 0.000 0.490 493 P HA -0.101 nan 4.420 nan 0.000 0.220 493 P C 0.679 177.849 177.300 -0.217 0.000 1.148 493 P CA 1.161 64.056 63.100 -0.342 0.000 0.803 493 P CB -0.077 31.512 31.700 -0.186 0.000 0.782 494 W N -1.617 119.566 121.300 -0.197 0.000 3.256 494 W HA 0.312 5.017 4.660 0.076 0.000 0.269 494 W C -0.425 176.010 176.519 -0.141 0.000 1.310 494 W CA -0.251 56.990 57.345 -0.173 0.000 1.673 494 W CB -1.288 27.938 29.460 -0.391 0.000 1.115 494 W HN -0.383 nan 8.180 nan 0.000 0.686 495 V N 3.127 122.929 119.914 -0.187 0.000 2.372 495 V HA 0.569 4.734 4.120 0.076 0.000 0.261 495 V C 0.918 176.854 176.094 -0.264 0.000 1.055 495 V CA -0.234 61.965 62.300 -0.168 0.000 0.930 495 V CB -0.050 31.646 31.823 -0.212 0.000 1.031 495 V HN 0.212 nan 8.190 nan 0.000 0.479 496 G N 2.672 111.136 108.800 -0.560 0.000 2.437 496 G HA2 0.570 4.575 3.960 0.076 0.000 0.319 496 G HA3 0.570 4.575 3.960 0.076 0.000 0.319 496 G C 0.817 175.221 174.900 -0.826 0.000 1.158 496 G CA 0.106 44.655 45.100 -0.918 0.000 0.899 496 G HN 1.397 nan 8.290 nan 0.000 0.502 497 G N -1.303 107.291 108.800 -0.344 0.000 2.194 497 G HA2 -0.252 3.754 3.960 0.076 0.000 0.236 497 G HA3 -0.252 3.754 3.960 0.076 0.000 0.236 497 G C 0.143 175.085 174.900 0.071 0.000 0.987 497 G CA 0.597 45.684 45.100 -0.022 0.000 0.635 497 G HN 1.205 nan 8.290 nan 0.000 0.520 498 Y N 2.946 123.187 120.300 -0.098 0.000 2.454 498 Y HA 0.491 5.100 4.550 0.099 0.000 0.345 498 Y C 1.745 177.613 175.900 -0.053 0.000 0.970 498 Y CA 0.448 58.507 58.100 -0.067 0.000 1.204 498 Y CB 1.117 39.519 38.460 -0.096 0.000 1.122 498 Y HN 0.267 nan 8.280 nan 0.000 0.514 499 T N 0.905 115.258 114.554 -0.336 0.000 2.942 499 T HA 0.118 4.514 4.350 0.076 0.000 0.265 499 T C 1.673 176.094 174.700 -0.466 0.000 1.062 499 T CA 0.909 62.833 62.100 -0.294 0.000 1.139 499 T CB -0.545 68.226 68.868 -0.163 0.000 0.883 499 T HN 1.309 nan 8.240 nan 0.000 0.468 500 G N 1.337 109.640 108.800 -0.828 0.000 2.162 500 G HA2 -0.294 3.712 3.960 0.076 0.000 0.260 500 G HA3 -0.294 3.712 3.960 0.076 0.000 0.260 500 G C 0.848 175.561 174.900 -0.312 0.000 0.976 500 G CA 0.586 45.298 45.100 -0.646 0.000 0.655 500 G HN 0.568 nan 8.290 nan 0.000 0.533 501 K N -0.031 120.222 120.400 -0.245 0.000 2.366 501 K HA 0.014 4.379 4.320 0.076 0.000 0.198 501 K C 0.642 177.178 176.600 -0.107 0.000 1.044 501 K CA 0.552 56.757 56.287 -0.137 0.000 0.973 501 K CB 0.105 32.544 32.500 -0.101 0.000 0.767 501 K HN 0.420 nan 8.250 nan 0.000 0.475 502 D N 1.339 121.669 120.400 -0.118 0.000 2.316 502 D HA 0.029 4.714 4.640 0.076 0.000 0.245 502 D C -1.663 174.634 176.300 -0.005 0.000 1.171 502 D CA -2.383 51.584 54.000 -0.055 0.000 0.856 502 D CB 1.423 42.204 40.800 -0.031 0.000 1.090 502 D HN -0.077 nan 8.370 nan 0.000 0.476 503 P HA -0.044 nan 4.420 nan 0.000 0.233 503 P C 1.171 178.597 177.300 0.211 0.000 1.167 503 P CA 0.529 63.712 63.100 0.138 0.000 0.770 503 P CB 0.400 32.185 31.700 0.141 0.000 0.837 504 L N -1.082 120.224 121.223 0.139 0.000 2.554 504 L HA 0.143 4.528 4.340 0.076 0.000 0.225 504 L C 0.515 177.478 176.870 0.156 0.000 1.104 504 L CA 0.187 55.112 54.840 0.142 0.000 0.866 504 L CB -0.899 41.209 42.059 0.081 0.000 1.047 504 L HN -0.027 nan 8.230 nan 0.000 0.468 505 D N 1.526 121.976 120.400 0.083 0.000 2.697 505 D HA -0.202 4.483 4.640 0.076 0.000 0.238 505 D C -0.081 176.234 176.300 0.025 0.000 1.152 505 D CA 0.304 54.316 54.000 0.021 0.000 0.666 505 D CB -0.874 39.867 40.800 -0.097 0.000 1.037 505 D HN 0.135 nan 8.370 nan 0.000 0.423 506 N N 1.412 120.131 118.700 0.032 0.000 2.968 506 N HA 0.100 4.885 4.740 0.076 0.000 0.271 506 N C 0.085 175.555 175.510 -0.066 0.000 1.174 506 N CA -0.245 52.782 53.050 -0.038 0.000 1.096 506 N CB 0.123 38.633 38.487 0.039 0.000 1.403 506 N HN 0.305 nan 8.380 nan 0.000 0.522 507 I N 1.778 122.302 120.570 -0.077 0.000 2.575 507 I HA 0.126 4.341 4.170 0.076 0.000 0.285 507 I C 0.162 176.172 176.117 -0.179 0.000 1.085 507 I CA -0.609 60.697 61.300 0.009 0.000 1.403 507 I CB -0.204 37.826 38.000 0.050 0.000 1.409 507 I HN 0.196 nan 8.210 nan 0.000 0.557 508 Y N 3.934 124.280 120.300 0.076 0.000 2.350 508 Y HA 0.300 4.892 4.550 0.069 0.000 0.338 508 Y C 1.040 176.985 175.900 0.075 0.000 0.961 508 Y CA -0.665 57.478 58.100 0.071 0.000 1.100 508 Y CB 1.650 40.158 38.460 0.081 0.000 1.179 508 Y HN 0.251 nan 8.280 nan 0.000 0.454 509 V N 3.099 123.108 119.914 0.158 0.000 2.759 509 V HA -0.261 3.905 4.120 0.076 0.000 0.256 509 V C 2.063 178.310 176.094 0.256 0.000 1.080 509 V CA 1.968 64.320 62.300 0.087 0.000 1.101 509 V CB -0.518 31.191 31.823 -0.189 0.000 0.698 509 V HN 0.805 nan 8.190 nan 0.000 0.477 510 K N 0.464 121.097 120.400 0.388 0.000 2.360 510 K HA -0.168 4.197 4.320 0.076 0.000 0.201 510 K C 1.235 177.953 176.600 0.196 0.000 1.046 510 K CA 1.675 58.126 56.287 0.272 0.000 0.945 510 K CB -0.318 32.248 32.500 0.111 0.000 0.750 510 K HN 0.426 nan 8.250 nan 0.000 0.464 511 N N 0.713 119.539 118.700 0.209 0.000 2.336 511 N HA 0.133 4.918 4.740 0.076 0.000 0.189 511 N C 0.324 175.959 175.510 0.208 0.000 1.113 511 N CA 0.272 53.439 53.050 0.194 0.000 0.858 511 N CB 0.206 38.808 38.487 0.192 0.000 0.970 511 N HN 0.198 nan 8.380 nan 0.000 0.471 512 L N 0.325 121.653 121.223 0.175 0.000 2.416 512 L HA 0.445 4.831 4.340 0.076 0.000 0.263 512 L C -0.616 176.367 176.870 0.189 0.000 1.065 512 L CA -1.128 53.765 54.840 0.088 0.000 0.798 512 L CB 0.761 42.826 42.059 0.010 0.000 1.267 512 L HN 0.091 nan 8.230 nan 0.000 0.467 513 Y N -1.388 118.965 120.300 0.089 0.000 2.592 513 Y HA 0.584 5.168 4.550 0.058 0.000 0.334 513 Y C -1.228 174.739 175.900 0.113 0.000 1.136 513 Y CA -1.446 56.709 58.100 0.091 0.000 1.042 513 Y CB 0.797 39.305 38.460 0.080 0.000 1.325 513 Y HN 0.105 nan 8.280 nan 0.000 0.457 514 I N 4.290 125.031 120.570 0.286 0.000 2.315 514 I HA 0.343 4.558 4.170 0.076 0.000 0.291 514 I C 0.124 176.434 176.117 0.322 0.000 1.006 514 I CA -1.089 60.370 61.300 0.265 0.000 1.265 514 I CB 0.898 39.027 38.000 0.216 0.000 1.387 514 I HN 0.649 nan 8.210 nan 0.000 0.475 515 I N 5.152 125.932 120.570 0.350 0.000 2.575 515 I HA 0.107 4.322 4.170 0.076 0.000 0.285 515 I C 0.958 177.251 176.117 0.294 0.000 1.085 515 I CA -0.503 60.992 61.300 0.325 0.000 1.403 515 I CB 0.468 38.653 38.000 0.307 0.000 1.409 515 I HN 0.484 nan 8.210 nan 0.000 0.557 516 K N 6.020 126.528 120.400 0.180 0.000 2.484 516 K HA 0.039 4.404 4.320 0.076 0.000 0.280 516 K C -0.332 176.349 176.600 0.136 0.000 1.013 516 K CA 0.365 56.704 56.287 0.087 0.000 1.029 516 K CB 0.274 32.792 32.500 0.030 0.000 0.902 516 K HN 0.697 nan 8.250 nan 0.000 0.481 517 H N 0.000 119.008 119.070 -0.103 0.000 2.539 517 H HA 0.000 4.602 4.556 0.076 0.000 0.296 517 H CA 0.000 55.975 56.048 -0.122 0.000 1.023 517 H CB 0.000 29.680 29.762 -0.137 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496