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 3ak5_1_B DATA FIRST_RESID 53 DATA SEQUENCE GTVNNELGYQ LFRDFAENKG MFRPGATNIA IYNKQGEFVG TLDKAAMPDF DATA SEQUENCE SAVDSEIGVA TLINPQYIAS VKHNGGYTNV SFGDGENRYN IVDRNNAPSL DATA SEQUENCE DFHAPRLDKL VTEVAPTAVT AQGAVAGAYL DKERYPVFYR LGSGTQYIKD DATA SEQUENCE SNGQLTKMGG AYSWLTGGTV GSLSSYQNGE MISTSSGLVF DYKLNGAMPI DATA SEQUENCE YGEAGDSGSP LFAFDTVQNK WVLVGVLTAG NGAGGRGNNW AVIPLDFIGQ DATA SEQUENCE KFNEDNDAPV TFRTSEGGAL EWSFNSSTGA GALTQGTTTY AMHGQQGNDL DATA SEQUENCE NAGKNLIFQG QNGQINLKDS VSQGAGSLTF RDNYTVTTSN GSTWTGAGIV DATA SEQUENCE VDNGVSVNWQ VNGVKGDNLH KIGEGTLTVQ GTGINEGGLK VGDGKVVLNQ DATA SEQUENCE QADNKGQVQA FSSVNIASGR PTVVLTDERQ VNPDTVSWGY RGGTLDVNGN DATA SEQUENCE SLTFHQLKAA DYGAVLANNV DKRATITLDY XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXGY LFHGQLKGNL NVDNRLPEGV TGALVMDGAA DISGTFTQEN DATA SEQUENCE GRLTLQGHPV IHAYNTQSVA DKLAASGDHS VLTQPTSFSQ EDWENRSFTF DATA SEQUENCE DRLSLKNTDF GLGRNATLNT TIQADNSSVT LGDSRVFIDK NDGQGTAFTL DATA SEQUENCE EEGTSVATKD ADKSVFNGTV NLDNQSVLNI NDIFNGGIQA NNSTVNISSD DATA SEQUENCE SAVLGNSTLT STALNLNKGA NALASQSFVS DGPVNISDAT LSLNSRPDEV DATA SEQUENCE SHTLLPVYDY AGSWNLKGDD ARLNVGPYSM LSGNINVQDK GTVTLGGEGE DATA SEQUENCE LSPDLTLQNQ MLYSLFNGYR NIWSGSLNAP DATVSMTDTQ WSMNGNSTAG DATA SEQUENCE NMKLNRTIVG FNGGTSPFTT LTTDNLDAVQ SAFVMRTDLN KADKLVINKS DATA SEQUENCE ATGHDNSIWV NFLKKPSNKD TLDIPLVSAP EATADNLFRA STRVVGFSDV DATA SEQUENCE TPILSVRKED GKKEWVLDGY QVARNDGQGK AAATFMHISY NNFITEVN 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 53 G HA2 0.000 nan 3.960 nan 0.000 0.244 53 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 53 G C 0.000 174.924 174.900 0.040 0.000 0.946 53 G CA 0.000 45.059 45.100 -0.069 0.000 0.502 54 T N 0.868 115.485 114.554 0.104 0.000 2.779 54 T HA 0.696 5.046 4.350 -0.000 0.000 0.280 54 T C 0.414 175.092 174.700 -0.036 0.000 0.987 54 T CA -0.295 61.886 62.100 0.135 0.000 0.966 54 T CB 1.367 70.377 68.868 0.237 0.000 0.933 54 T HN 1.408 nan 8.240 nan 0.000 0.442 55 V N 1.577 121.409 119.914 -0.137 0.000 3.113 55 V HA 0.807 4.926 4.120 -0.000 0.000 0.316 55 V C -0.135 175.824 176.094 -0.225 0.000 1.125 55 V CA -1.491 60.603 62.300 -0.342 0.000 1.026 55 V CB 1.738 32.989 31.823 -0.954 0.000 1.080 55 V HN 0.863 nan 8.190 nan 0.000 0.444 56 N N 1.286 119.792 118.700 -0.323 0.000 2.467 56 N HA 0.184 4.924 4.740 -0.000 0.000 0.262 56 N C 0.285 175.679 175.510 -0.194 0.000 1.234 56 N CA 0.041 52.750 53.050 -0.568 0.000 0.952 56 N CB 0.203 37.848 38.487 -1.403 0.000 1.158 56 N HN 0.876 nan 8.380 nan 0.000 0.463 57 N N -0.394 118.262 118.700 -0.072 0.000 2.322 57 N HA -0.008 4.732 4.740 -0.000 0.000 0.216 57 N C -0.100 175.498 175.510 0.147 0.000 1.144 57 N CA 0.194 53.306 53.050 0.103 0.000 0.830 57 N CB -0.067 38.507 38.487 0.146 0.000 1.034 57 N HN 0.766 nan 8.380 nan 0.000 0.484 58 E N -0.224 120.048 120.200 0.121 0.000 2.307 58 E HA 0.224 4.574 4.350 -0.000 0.000 0.195 58 E C -0.001 176.702 176.600 0.171 0.000 0.975 58 E CA 0.106 56.616 56.400 0.183 0.000 0.878 58 E CB 0.492 30.339 29.700 0.244 0.000 0.845 58 E HN 0.351 nan 8.360 nan 0.000 0.488 59 L N 0.657 121.994 121.223 0.189 0.000 2.343 59 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 59 L C 0.757 177.741 176.870 0.190 0.000 1.056 59 L CA -0.961 53.974 54.840 0.159 0.000 0.804 59 L CB 1.110 43.225 42.059 0.095 0.000 1.203 59 L HN -0.030 nan 8.230 nan 0.000 0.440 60 G N 0.010 108.877 108.800 0.113 0.000 2.313 60 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.250 60 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.250 60 G C 0.257 175.270 174.900 0.189 0.000 1.281 60 G CA -0.003 45.179 45.100 0.137 0.000 0.917 60 G HN 0.676 nan 8.290 nan 0.000 0.501 61 Y N 1.861 122.247 120.300 0.143 0.000 2.256 61 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 61 Y C 2.828 178.829 175.900 0.168 0.000 1.155 61 Y CA 2.146 60.390 58.100 0.240 0.000 1.203 61 Y CB -0.072 38.468 38.460 0.132 0.000 0.980 61 Y HN 0.629 nan 8.280 nan 0.000 0.530 62 Q N 0.320 120.173 119.800 0.088 0.000 2.197 62 Q HA -0.187 4.153 4.340 -0.000 0.000 0.207 62 Q C 1.981 177.961 176.000 -0.035 0.000 0.984 62 Q CA 1.922 57.732 55.803 0.011 0.000 0.869 62 Q CB -0.564 28.212 28.738 0.064 0.000 0.906 62 Q HN 0.644 nan 8.270 nan 0.000 0.426 63 L N -1.127 120.030 121.223 -0.111 0.000 2.083 63 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 63 L C 1.832 178.425 176.870 -0.462 0.000 1.083 63 L CA 1.024 55.741 54.840 -0.205 0.000 0.752 63 L CB -0.423 41.436 42.059 -0.333 0.000 0.899 63 L HN 0.219 nan 8.230 nan 0.000 0.433 64 F N -0.641 119.139 119.950 -0.283 0.000 2.259 64 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 64 F C 2.656 178.287 175.800 -0.282 0.000 1.088 64 F CA 0.725 58.508 58.000 -0.363 0.000 1.358 64 F CB -0.390 38.370 39.000 -0.401 0.000 1.040 64 F HN -0.100 nan 8.300 nan 0.000 0.505 65 R N 0.551 120.976 120.500 -0.125 0.000 2.055 65 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 65 R C 1.796 178.083 176.300 -0.022 0.000 1.143 65 R CA 1.500 57.544 56.100 -0.094 0.000 0.945 65 R CB -1.046 29.152 30.300 -0.169 0.000 0.841 65 R HN 0.224 nan 8.270 nan 0.000 0.429 66 D N 0.195 120.590 120.400 -0.008 0.000 2.178 66 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 66 D C 1.716 177.979 176.300 -0.063 0.000 0.980 66 D CA 0.772 54.811 54.000 0.066 0.000 0.842 66 D CB -0.291 40.693 40.800 0.307 0.000 0.948 66 D HN 0.131 nan 8.370 nan 0.000 0.472 67 F N 1.782 121.303 119.950 -0.716 0.000 2.075 67 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 67 F C 2.336 178.070 175.800 -0.110 0.000 1.113 67 F CA 1.817 59.346 58.000 -0.786 0.000 1.218 67 F CB -0.049 38.298 39.000 -1.089 0.000 0.984 67 F HN -0.059 nan 8.300 nan 0.000 0.472 68 A N 0.087 123.093 122.820 0.309 0.000 1.908 68 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 68 A C 1.916 179.612 177.584 0.186 0.000 1.181 68 A CA 2.029 54.205 52.037 0.231 0.000 0.627 68 A CB -0.906 18.170 19.000 0.126 0.000 0.818 68 A HN 0.631 nan 8.150 nan 0.000 0.445 69 E N -0.998 119.277 120.200 0.125 0.000 2.476 69 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 69 E C -0.222 176.442 176.600 0.107 0.000 1.064 69 E CA 0.024 56.490 56.400 0.110 0.000 0.866 69 E CB -0.283 29.459 29.700 0.070 0.000 0.952 69 E HN 0.707 nan 8.360 nan 0.000 0.492 70 N N 0.933 119.688 118.700 0.091 0.000 2.725 70 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 70 N C -0.850 174.661 175.510 0.001 0.000 1.103 70 N CA 0.547 53.589 53.050 -0.014 0.000 0.707 70 N CB -0.329 38.134 38.487 -0.039 0.000 1.043 70 N HN 0.087 nan 8.380 nan 0.000 0.553 71 K N -0.885 119.541 120.400 0.043 0.000 2.313 71 K HA 0.690 5.010 4.320 -0.000 0.000 0.235 71 K C 1.150 177.707 176.600 -0.072 0.000 1.035 71 K CA -0.280 55.981 56.287 -0.042 0.000 0.868 71 K CB 1.099 33.565 32.500 -0.057 0.000 1.232 71 K HN 0.113 nan 8.250 nan 0.000 0.459 72 G N 1.503 110.071 108.800 -0.387 0.000 2.622 72 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.307 72 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.307 72 G C 0.778 175.546 174.900 -0.220 0.000 1.226 72 G CA 0.891 45.678 45.100 -0.520 0.000 0.997 72 G HN 0.768 nan 8.290 nan 0.000 0.551 73 M N -0.690 118.783 119.600 -0.212 0.000 2.659 73 M HA 0.467 4.947 4.480 -0.000 0.000 0.243 73 M C 1.192 177.156 176.300 -0.560 0.000 1.111 73 M CA 1.366 56.436 55.300 -0.383 0.000 1.070 73 M CB -0.063 32.266 32.600 -0.453 0.000 1.525 73 M HN 0.230 nan 8.290 nan 0.000 0.517 74 F N 1.757 121.635 119.950 -0.119 0.000 2.819 74 F HA 0.424 4.951 4.527 -0.000 0.000 0.294 74 F C 0.507 176.165 175.800 -0.237 0.000 1.166 74 F CA -0.772 57.113 58.000 -0.192 0.000 1.374 74 F CB -0.184 38.692 39.000 -0.206 0.000 0.956 74 F HN 0.009 nan 8.300 nan 0.000 0.509 75 R N 1.299 121.739 120.500 -0.100 0.000 2.694 75 R HA 0.180 4.520 4.340 -0.000 0.000 0.268 75 R C -2.374 173.829 176.300 -0.161 0.000 1.061 75 R CA -1.646 54.381 56.100 -0.123 0.000 1.133 75 R CB -0.241 29.988 30.300 -0.118 0.000 1.020 75 R HN -0.067 nan 8.270 nan 0.000 0.475 76 P HA -0.089 nan 4.420 nan 0.000 0.264 76 P C 0.681 177.899 177.300 -0.137 0.000 1.183 76 P CA 1.035 64.010 63.100 -0.208 0.000 0.763 76 P CB 0.472 32.070 31.700 -0.170 0.000 0.807 77 G N 1.703 110.434 108.800 -0.115 0.000 2.267 77 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 77 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 77 G C 0.521 175.384 174.900 -0.062 0.000 0.998 77 G CA 0.092 45.156 45.100 -0.061 0.000 0.620 77 G HN 0.868 nan 8.290 nan 0.000 0.529 78 A N 0.541 123.307 122.820 -0.089 0.000 2.561 78 A HA 0.554 4.874 4.320 -0.000 0.000 0.234 78 A C 0.926 178.477 177.584 -0.055 0.000 1.055 78 A CA 1.835 53.819 52.037 -0.089 0.000 0.756 78 A CB 0.052 18.971 19.000 -0.135 0.000 0.986 78 A HN 1.956 nan 8.150 nan 0.000 0.505 79 T N -0.441 114.084 114.554 -0.048 0.000 2.907 79 T HA 0.578 4.928 4.350 -0.000 0.000 0.292 79 T C -0.235 174.455 174.700 -0.017 0.000 1.043 79 T CA -0.730 61.357 62.100 -0.023 0.000 1.003 79 T CB 1.151 70.004 68.868 -0.024 0.000 1.084 79 T HN 0.837 nan 8.240 nan 0.000 0.483 80 N N 0.444 119.149 118.700 0.009 0.000 2.714 80 N HA -0.134 4.606 4.740 -0.000 0.000 0.253 80 N C -0.743 174.778 175.510 0.018 0.000 1.024 80 N CA 0.358 53.422 53.050 0.024 0.000 0.726 80 N CB -1.432 37.064 38.487 0.015 0.000 0.908 80 N HN 0.787 nan 8.380 nan 0.000 0.542 81 I N 0.559 121.135 120.570 0.009 0.000 2.347 81 I HA 0.206 4.376 4.170 -0.000 0.000 0.294 81 I C 1.142 177.257 176.117 -0.003 0.000 1.090 81 I CA -0.236 61.037 61.300 -0.045 0.000 1.314 81 I CB 0.623 38.537 38.000 -0.143 0.000 1.423 81 I HN 0.258 nan 8.210 nan 0.000 0.503 82 A N 7.768 130.604 122.820 0.028 0.000 2.409 82 A HA 0.558 4.877 4.320 -0.000 0.000 0.262 82 A C -0.370 177.158 177.584 -0.093 0.000 1.113 82 A CA -0.284 51.781 52.037 0.045 0.000 0.790 82 A CB 0.224 19.341 19.000 0.195 0.000 1.046 82 A HN 0.720 nan 8.150 nan 0.000 0.496 83 I N 0.543 120.906 120.570 -0.346 0.000 2.530 83 I HA 0.802 4.972 4.170 -0.000 0.000 0.297 83 I C -1.435 174.303 176.117 -0.631 0.000 1.011 83 I CA -0.708 60.402 61.300 -0.317 0.000 1.107 83 I CB 1.470 39.376 38.000 -0.155 0.000 1.285 83 I HN 0.523 nan 8.210 nan 0.000 0.436 84 Y N 3.794 124.041 120.300 -0.087 0.000 2.477 84 Y HA 0.441 4.991 4.550 -0.000 0.000 0.347 84 Y C 0.558 176.432 175.900 -0.043 0.000 0.981 84 Y CA -0.822 57.242 58.100 -0.059 0.000 1.033 84 Y CB 1.157 39.630 38.460 0.021 0.000 1.245 84 Y HN 0.664 nan 8.280 nan 0.000 0.455 85 N N 1.606 120.385 118.700 0.132 0.000 2.226 85 N HA -0.117 4.623 4.740 -0.000 0.000 0.232 85 N C 0.861 176.452 175.510 0.136 0.000 1.255 85 N CA 0.575 53.700 53.050 0.125 0.000 0.855 85 N CB 0.690 39.257 38.487 0.134 0.000 1.095 85 N HN 0.771 nan 8.380 nan 0.000 0.444 86 K N 0.834 121.309 120.400 0.125 0.000 2.026 86 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 86 K C 1.440 178.100 176.600 0.100 0.000 1.048 86 K CA 1.228 57.581 56.287 0.111 0.000 0.929 86 K CB 0.030 32.597 32.500 0.113 0.000 0.713 86 K HN 0.482 nan 8.250 nan 0.000 0.439 87 Q N -0.316 119.547 119.800 0.105 0.000 2.557 87 Q HA -0.019 4.321 4.340 -0.000 0.000 0.217 87 Q C 0.809 176.863 176.000 0.089 0.000 0.978 87 Q CA 1.090 56.948 55.803 0.091 0.000 0.950 87 Q CB 0.193 28.988 28.738 0.094 0.000 0.991 87 Q HN 0.603 nan 8.270 nan 0.000 0.533 88 G N 1.087 109.949 108.800 0.103 0.000 2.155 88 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 88 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 88 G C -0.178 174.842 174.900 0.200 0.000 0.983 88 G CA 0.447 45.603 45.100 0.095 0.000 0.676 88 G HN 0.419 nan 8.290 nan 0.000 0.528 89 E N -0.886 119.455 120.200 0.234 0.000 2.373 89 E HA 0.520 4.870 4.350 -0.000 0.000 0.263 89 E C 0.215 177.040 176.600 0.375 0.000 1.073 89 E CA -0.932 55.638 56.400 0.283 0.000 0.894 89 E CB 0.696 30.498 29.700 0.169 0.000 1.008 89 E HN 0.227 nan 8.360 nan 0.000 0.420 90 F N 2.525 122.575 119.950 0.167 0.000 2.529 90 F HA 0.074 4.601 4.527 -0.000 0.000 0.365 90 F C 0.567 176.227 175.800 -0.233 0.000 1.102 90 F CA 0.234 58.117 58.000 -0.194 0.000 1.271 90 F CB 0.666 39.590 39.000 -0.126 0.000 1.120 90 F HN 0.218 nan 8.300 nan 0.000 0.579 91 V N 3.715 122.927 119.914 -1.169 0.000 3.480 91 V HA 0.488 4.608 4.120 -0.000 0.000 0.263 91 V C 0.512 175.951 176.094 -1.092 0.000 1.442 91 V CA 0.640 62.345 62.300 -0.992 0.000 1.053 91 V CB 0.262 31.523 31.823 -0.938 0.000 0.846 91 V HN 1.142 nan 8.190 nan 0.000 0.440 92 G N -0.737 107.124 108.800 -1.564 0.000 2.347 92 G HA2 0.393 4.353 3.960 -0.000 0.000 0.303 92 G HA3 0.393 4.353 3.960 -0.000 0.000 0.303 92 G C -1.079 173.439 174.900 -0.636 0.000 1.481 92 G CA 0.246 44.837 45.100 -0.848 0.000 0.914 92 G HN 0.010 nan 8.290 nan 0.000 0.638 93 T N -0.118 114.355 114.554 -0.136 0.000 2.893 93 T HA 0.597 4.947 4.350 -0.000 0.000 0.293 93 T C -0.168 174.585 174.700 0.088 0.000 1.027 93 T CA -0.582 61.539 62.100 0.035 0.000 0.988 93 T CB 1.043 70.039 68.868 0.214 0.000 1.043 93 T HN 0.639 nan 8.240 nan 0.000 0.461 94 L N 5.726 127.020 121.223 0.118 0.000 2.375 94 L HA 0.350 4.690 4.340 -0.000 0.000 0.276 94 L C 0.722 177.684 176.870 0.153 0.000 1.162 94 L CA -0.222 54.742 54.840 0.206 0.000 0.991 94 L CB 0.016 42.239 42.059 0.275 0.000 1.315 94 L HN 0.723 nan 8.230 nan 0.000 0.431 95 D N -0.110 120.362 120.400 0.120 0.000 2.503 95 D HA -0.018 4.622 4.640 -0.000 0.000 0.218 95 D C 0.971 177.269 176.300 -0.003 0.000 1.183 95 D CA -0.189 53.844 54.000 0.055 0.000 0.827 95 D CB 0.419 41.252 40.800 0.054 0.000 1.034 95 D HN 0.163 nan 8.370 nan 0.000 0.510 96 K N 0.682 121.073 120.400 -0.015 0.000 2.361 96 K HA 0.402 4.722 4.320 -0.000 0.000 0.196 96 K C 0.671 177.036 176.600 -0.391 0.000 1.039 96 K CA 0.286 56.490 56.287 -0.138 0.000 1.001 96 K CB 1.306 33.747 32.500 -0.098 0.000 0.795 96 K HN 0.294 nan 8.250 nan 0.000 0.495 97 A N 0.239 122.846 122.820 -0.355 0.000 2.594 97 A HA 0.609 4.929 4.320 -0.000 0.000 0.296 97 A C -1.273 176.242 177.584 -0.115 0.000 1.056 97 A CA -0.540 51.135 52.037 -0.603 0.000 0.693 97 A CB 0.770 18.934 19.000 -1.393 0.000 1.278 97 A HN 0.074 nan 8.150 nan 0.000 0.408 98 A N 1.208 123.991 122.820 -0.062 0.000 2.520 98 A HA 0.477 4.797 4.320 -0.000 0.000 0.235 98 A C 0.638 178.320 177.584 0.163 0.000 1.065 98 A CA 0.421 52.488 52.037 0.050 0.000 0.764 98 A CB -0.328 18.686 19.000 0.025 0.000 1.002 98 A HN 1.821 nan 8.150 nan 0.000 0.502 99 M N 3.784 123.404 119.600 0.034 0.000 2.261 99 M HA 0.138 4.618 4.480 -0.000 0.000 0.350 99 M C -1.977 174.107 176.300 -0.360 0.000 1.343 99 M CA -1.005 54.224 55.300 -0.119 0.000 1.003 99 M CB 0.081 32.568 32.600 -0.188 0.000 1.848 99 M HN 0.447 nan 8.290 nan 0.000 0.456 100 P HA 0.096 nan 4.420 nan 0.000 0.277 100 P C -1.201 175.527 177.300 -0.953 0.000 1.240 100 P CA -0.269 62.127 63.100 -1.172 0.000 0.798 100 P CB 0.463 30.953 31.700 -2.017 0.000 0.979 101 D N 1.526 121.578 120.400 -0.581 0.000 2.338 101 D HA 0.073 4.712 4.640 -0.000 0.000 0.255 101 D C 0.225 176.285 176.300 -0.399 0.000 1.237 101 D CA -0.152 53.604 54.000 -0.407 0.000 0.883 101 D CB -0.426 40.276 40.800 -0.164 0.000 1.087 101 D HN 0.246 nan 8.370 nan 0.000 0.485 102 F N 1.381 121.165 119.950 -0.277 0.000 2.769 102 F HA -0.053 4.474 4.527 -0.000 0.000 0.304 102 F C 2.312 178.086 175.800 -0.043 0.000 1.158 102 F CA -0.360 57.491 58.000 -0.248 0.000 1.398 102 F CB 0.199 39.089 39.000 -0.184 0.000 1.094 102 F HN 0.335 nan 8.300 nan 0.000 0.553 103 S N -0.072 115.721 115.700 0.154 0.000 2.555 103 S HA -0.051 4.419 4.470 -0.000 0.000 0.230 103 S C 1.936 176.644 174.600 0.181 0.000 0.978 103 S CA 0.532 58.831 58.200 0.165 0.000 0.934 103 S CB -0.193 63.127 63.200 0.201 0.000 0.766 103 S HN 0.287 nan 8.310 nan 0.000 0.533 104 A N 1.007 123.947 122.820 0.200 0.000 2.209 104 A HA 0.365 4.685 4.320 -0.000 0.000 0.212 104 A C 0.835 178.635 177.584 0.360 0.000 1.158 104 A CA 0.171 52.332 52.037 0.206 0.000 0.742 104 A CB -0.372 18.754 19.000 0.211 0.000 0.790 104 A HN 0.410 nan 8.150 nan 0.000 0.472 105 V N 2.073 122.193 119.914 0.343 0.000 2.461 105 V HA 0.162 4.282 4.120 -0.000 0.000 0.275 105 V C -0.042 176.165 176.094 0.188 0.000 1.047 105 V CA -0.581 61.885 62.300 0.277 0.000 0.955 105 V CB 0.863 32.806 31.823 0.199 0.000 0.988 105 V HN 0.699 nan 8.190 nan 0.000 0.471 106 D N 3.641 124.076 120.400 0.058 0.000 2.583 106 D HA -0.071 4.569 4.640 -0.000 0.000 0.232 106 D C 1.302 177.509 176.300 -0.156 0.000 1.128 106 D CA 0.649 54.496 54.000 -0.255 0.000 0.859 106 D CB 0.938 41.536 40.800 -0.337 0.000 1.169 106 D HN 0.610 nan 8.370 nan 0.000 0.481 107 S N 2.103 117.687 115.700 -0.193 0.000 2.515 107 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 107 S C 1.226 175.782 174.600 -0.074 0.000 0.987 107 S CA 0.201 58.344 58.200 -0.095 0.000 0.936 107 S CB -0.149 62.990 63.200 -0.102 0.000 0.766 107 S HN 0.542 nan 8.310 nan 0.000 0.528 108 E N 1.981 122.120 120.200 -0.102 0.000 2.057 108 E HA 0.185 4.535 4.350 -0.000 0.000 0.190 108 E C 2.017 178.587 176.600 -0.050 0.000 0.969 108 E CA 1.315 57.674 56.400 -0.068 0.000 0.812 108 E CB -0.221 29.428 29.700 -0.085 0.000 0.777 108 E HN 0.857 nan 8.360 nan 0.000 0.455 109 I N -4.629 115.892 120.570 -0.081 0.000 4.439 109 I HA 0.480 4.650 4.170 -0.000 0.000 0.331 109 I C 1.053 177.140 176.117 -0.050 0.000 1.345 109 I CA 0.314 61.586 61.300 -0.048 0.000 1.193 109 I CB 0.853 38.790 38.000 -0.104 0.000 1.221 109 I HN 0.088 nan 8.210 nan 0.000 0.429 110 G N 2.828 111.583 108.800 -0.074 0.000 2.225 110 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 110 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 110 G C 0.743 175.597 174.900 -0.076 0.000 1.024 110 G CA 0.718 45.785 45.100 -0.054 0.000 0.784 110 G HN 0.859 nan 8.290 nan 0.000 0.507 111 V N -4.250 115.571 119.914 -0.155 0.000 3.506 111 V HA 0.752 4.872 4.120 -0.000 0.000 0.263 111 V C 1.037 177.015 176.094 -0.192 0.000 1.203 111 V CA 1.228 63.400 62.300 -0.215 0.000 1.133 111 V CB 0.125 31.711 31.823 -0.395 0.000 0.802 111 V HN 1.862 nan 8.190 nan 0.000 0.459 112 A N -0.579 122.174 122.820 -0.112 0.000 2.539 112 A HA 0.814 5.134 4.320 -0.000 0.000 0.296 112 A C -0.436 177.222 177.584 0.124 0.000 1.073 112 A CA -0.332 51.720 52.037 0.024 0.000 0.700 112 A CB 1.866 20.919 19.000 0.089 0.000 1.296 112 A HN 0.209 nan 8.150 nan 0.000 0.405 113 T N 1.674 116.339 114.554 0.185 0.000 2.879 113 T HA 0.425 4.775 4.350 -0.000 0.000 0.290 113 T C -0.718 174.137 174.700 0.258 0.000 0.993 113 T CA -0.344 61.901 62.100 0.243 0.000 0.975 113 T CB 1.063 70.041 68.868 0.183 0.000 0.981 113 T HN 0.637 nan 8.240 nan 0.000 0.439 114 L N 5.063 126.441 121.223 0.258 0.000 2.562 114 L HA 0.280 4.620 4.340 -0.000 0.000 0.271 114 L C 0.859 177.804 176.870 0.125 0.000 1.167 114 L CA 0.512 55.412 54.840 0.100 0.000 0.917 114 L CB -0.099 41.836 42.059 -0.208 0.000 1.187 114 L HN 0.762 nan 8.230 nan 0.000 0.482 115 I N 1.049 121.719 120.570 0.166 0.000 4.154 115 I HA 0.455 4.625 4.170 -0.000 0.000 0.334 115 I C 0.188 176.385 176.117 0.133 0.000 1.371 115 I CA -0.195 61.220 61.300 0.192 0.000 1.110 115 I CB 0.066 38.240 38.000 0.291 0.000 1.085 115 I HN 0.577 nan 8.210 nan 0.000 0.398 116 N N 0.979 119.712 118.700 0.054 0.000 2.935 116 N HA 0.270 5.010 4.740 -0.000 0.000 0.248 116 N C -2.683 172.784 175.510 -0.072 0.000 1.276 116 N CA -0.957 52.046 53.050 -0.079 0.000 0.906 116 N CB 2.214 40.514 38.487 -0.312 0.000 1.564 116 N HN -0.362 nan 8.380 nan 0.000 0.500 117 P HA 0.035 nan 4.420 nan 0.000 0.230 117 P C 0.360 177.557 177.300 -0.172 0.000 1.158 117 P CA 1.169 64.184 63.100 -0.143 0.000 0.769 117 P CB 0.351 31.988 31.700 -0.106 0.000 0.807 118 Q N -2.252 117.446 119.800 -0.170 0.000 2.171 118 Q HA 0.149 4.489 4.340 -0.000 0.000 0.218 118 Q C -0.872 174.780 176.000 -0.581 0.000 0.822 118 Q CA -0.055 55.541 55.803 -0.346 0.000 0.987 118 Q CB 0.496 28.986 28.738 -0.413 0.000 1.144 118 Q HN 0.220 nan 8.270 nan 0.000 0.494 119 Y N 0.130 120.410 120.300 -0.033 0.000 2.401 119 Y HA 0.354 4.904 4.550 -0.000 0.000 0.330 119 Y C -0.228 175.737 175.900 0.108 0.000 1.071 119 Y CA -1.210 56.936 58.100 0.077 0.000 1.049 119 Y CB 1.232 39.827 38.460 0.224 0.000 1.239 119 Y HN -0.006 nan 8.280 nan 0.000 0.437 120 I N 0.463 121.193 120.570 0.267 0.000 2.924 120 I HA 1.032 5.202 4.170 -0.000 0.000 0.316 120 I C -0.434 175.824 176.117 0.234 0.000 1.014 120 I CA -1.076 60.372 61.300 0.248 0.000 1.106 120 I CB 1.924 40.073 38.000 0.248 0.000 1.311 120 I HN 0.586 nan 8.210 nan 0.000 0.502 121 A N 2.617 125.565 122.820 0.215 0.000 2.356 121 A HA 0.811 5.131 4.320 -0.000 0.000 0.310 121 A C -0.446 177.199 177.584 0.102 0.000 1.075 121 A CA -0.332 51.804 52.037 0.164 0.000 0.746 121 A CB 1.562 20.752 19.000 0.316 0.000 1.221 121 A HN 0.855 nan 8.150 nan 0.000 0.443 122 S N 0.002 115.683 115.700 -0.032 0.000 2.873 122 S HA 0.701 5.171 4.470 -0.000 0.000 0.303 122 S C -1.096 173.299 174.600 -0.341 0.000 1.222 122 S CA 0.303 58.476 58.200 -0.045 0.000 0.923 122 S CB 0.841 64.136 63.200 0.159 0.000 1.286 122 S HN 1.930 nan 8.310 nan 0.000 0.571 123 V N 2.050 121.695 119.914 -0.449 0.000 2.532 123 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 123 V C 1.051 176.610 176.094 -0.891 0.000 1.041 123 V CA -0.018 61.944 62.300 -0.563 0.000 0.926 123 V CB 1.190 32.714 31.823 -0.499 0.000 0.992 123 V HN 1.056 nan 8.190 nan 0.000 0.457 124 K N 2.631 122.650 120.400 -0.635 0.000 2.283 124 K HA -0.166 4.154 4.320 -0.000 0.000 0.202 124 K C 1.601 178.067 176.600 -0.224 0.000 1.048 124 K CA 1.810 57.803 56.287 -0.490 0.000 0.948 124 K CB -0.411 31.995 32.500 -0.156 0.000 0.742 124 K HN 1.005 nan 8.250 nan 0.000 0.458 125 H N -0.734 118.230 119.070 -0.177 0.000 2.556 125 H HA 0.099 4.655 4.556 -0.000 0.000 0.268 125 H C -0.321 174.972 175.328 -0.059 0.000 0.996 125 H CA -0.111 55.884 56.048 -0.089 0.000 1.157 125 H CB -0.112 29.607 29.762 -0.072 0.000 1.355 125 H HN 0.082 nan 8.280 nan 0.000 0.597 126 N N 1.781 120.337 118.700 -0.239 0.000 2.605 126 N HA 0.053 4.793 4.740 -0.000 0.000 0.258 126 N C 0.977 176.606 175.510 0.198 0.000 1.156 126 N CA 0.316 53.363 53.050 -0.006 0.000 1.008 126 N CB 0.905 39.363 38.487 -0.049 0.000 1.354 126 N HN 0.567 nan 8.380 nan 0.000 0.509 127 G N -0.179 108.712 108.800 0.151 0.000 3.088 127 G HA2 0.039 3.999 3.960 -0.000 0.000 0.217 127 G HA3 0.039 3.999 3.960 -0.000 0.000 0.217 127 G C 1.234 176.196 174.900 0.103 0.000 1.159 127 G CA 0.130 45.308 45.100 0.130 0.000 0.760 127 G HN 0.503 nan 8.290 nan 0.000 0.550 128 G N 0.464 109.347 108.800 0.139 0.000 2.497 128 G HA2 0.147 4.107 3.960 -0.000 0.000 0.210 128 G HA3 0.147 4.107 3.960 -0.000 0.000 0.210 128 G C 0.778 175.724 174.900 0.076 0.000 1.177 128 G CA 0.067 45.219 45.100 0.086 0.000 0.822 128 G HN 0.538 nan 8.290 nan 0.000 0.550 129 Y N 1.640 121.907 120.300 -0.055 0.000 2.712 129 Y HA 0.331 4.881 4.550 -0.000 0.000 0.333 129 Y C 1.179 177.048 175.900 -0.052 0.000 1.225 129 Y CA 0.224 58.276 58.100 -0.080 0.000 1.499 129 Y CB 0.646 39.036 38.460 -0.116 0.000 1.288 129 Y HN 0.017 nan 8.280 nan 0.000 0.575 130 T N -0.538 113.932 114.554 -0.139 0.000 3.040 130 T HA 0.216 4.566 4.350 -0.000 0.000 0.266 130 T C -0.239 174.368 174.700 -0.155 0.000 1.005 130 T CA -0.106 61.870 62.100 -0.208 0.000 0.906 130 T CB -0.412 68.390 68.868 -0.109 0.000 1.082 130 T HN 0.896 nan 8.240 nan 0.000 0.531 131 N N 0.455 119.119 118.700 -0.060 0.000 2.591 131 N HA 0.507 5.247 4.740 -0.000 0.000 0.263 131 N C -1.472 174.083 175.510 0.076 0.000 1.308 131 N CA -0.711 52.340 53.050 0.001 0.000 0.837 131 N CB 2.446 40.930 38.487 -0.006 0.000 1.548 131 N HN 0.197 nan 8.380 nan 0.000 0.493 132 V N -2.820 117.131 119.914 0.061 0.000 3.078 132 V HA 0.825 4.945 4.120 -0.000 0.000 0.311 132 V C -0.449 175.568 176.094 -0.128 0.000 1.138 132 V CA -0.638 61.623 62.300 -0.066 0.000 1.007 132 V CB 1.454 33.199 31.823 -0.131 0.000 1.045 132 V HN 0.772 nan 8.190 nan 0.000 0.432 133 S N 1.116 116.614 115.700 -0.336 0.000 2.566 133 S HA 0.919 5.389 4.470 -0.000 0.000 0.298 133 S C -1.223 172.981 174.600 -0.660 0.000 1.083 133 S CA -0.292 57.762 58.200 -0.243 0.000 0.978 133 S CB 1.461 64.588 63.200 -0.121 0.000 1.073 133 S HN 0.616 nan 8.310 nan 0.000 0.491 134 F N 0.533 120.515 119.950 0.054 0.000 2.577 134 F HA 0.746 5.273 4.527 -0.000 0.000 0.318 134 F C 1.152 176.820 175.800 -0.221 0.000 1.065 134 F CA 0.164 58.118 58.000 -0.077 0.000 0.929 134 F CB 1.475 40.422 39.000 -0.089 0.000 1.237 134 F HN 0.839 nan 8.300 nan 0.000 0.468 135 G N 2.031 110.658 108.800 -0.288 0.000 3.031 135 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.289 135 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.289 135 G C 0.416 174.957 174.900 -0.599 0.000 1.393 135 G CA 0.451 44.835 45.100 -1.194 0.000 1.010 135 G HN 0.852 nan 8.290 nan 0.000 0.579 136 D N 1.305 121.584 120.400 -0.201 0.000 2.340 136 D HA 0.436 5.076 4.640 -0.000 0.000 0.217 136 D C 1.786 178.108 176.300 0.036 0.000 1.081 136 D CA 1.234 55.269 54.000 0.057 0.000 0.842 136 D CB -0.054 40.876 40.800 0.217 0.000 0.934 136 D HN 2.100 nan 8.370 nan 0.000 0.511 137 G N 0.305 109.103 108.800 -0.004 0.000 2.179 137 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 137 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 137 G C 0.286 175.214 174.900 0.046 0.000 0.977 137 G CA 0.003 45.109 45.100 0.010 0.000 0.641 137 G HN 0.414 nan 8.290 nan 0.000 0.533 138 E N 1.193 121.441 120.200 0.081 0.000 2.261 138 E HA 0.324 4.674 4.350 -0.000 0.000 0.308 138 E C 0.475 177.126 176.600 0.085 0.000 1.400 138 E CA 0.572 57.023 56.400 0.086 0.000 1.542 138 E CB -0.525 29.242 29.700 0.111 0.000 1.369 138 E HN 0.881 nan 8.360 nan 0.000 0.493 139 N N 0.104 118.844 118.700 0.067 0.000 3.501 139 N HA 0.263 5.003 4.740 -0.000 0.000 0.235 139 N C -1.182 174.321 175.510 -0.011 0.000 1.442 139 N CA -1.047 52.027 53.050 0.040 0.000 0.872 139 N CB 1.200 39.797 38.487 0.184 0.000 1.414 139 N HN 0.051 nan 8.380 nan 0.000 0.485 140 R N 0.102 120.492 120.500 -0.183 0.000 2.536 140 R HA 0.419 4.759 4.340 -0.000 0.000 0.269 140 R C -2.068 174.026 176.300 -0.342 0.000 1.113 140 R CA -0.629 55.394 56.100 -0.129 0.000 0.948 140 R CB 1.090 31.344 30.300 -0.076 0.000 1.237 140 R HN 0.670 nan 8.270 nan 0.000 0.441 141 Y N 2.244 122.577 120.300 0.055 0.000 2.350 141 Y HA 0.444 4.994 4.550 -0.000 0.000 0.338 141 Y C -0.089 175.812 175.900 0.003 0.000 0.961 141 Y CA -0.805 57.331 58.100 0.061 0.000 1.100 141 Y CB 2.203 40.760 38.460 0.162 0.000 1.179 141 Y HN 0.448 nan 8.280 nan 0.000 0.454 142 N N 3.631 122.372 118.700 0.068 0.000 2.405 142 N HA 0.457 5.197 4.740 -0.000 0.000 0.299 142 N C -0.906 174.583 175.510 -0.035 0.000 1.075 142 N CA -0.614 52.432 53.050 -0.008 0.000 0.884 142 N CB 2.339 40.800 38.487 -0.042 0.000 1.194 142 N HN 0.560 nan 8.380 nan 0.000 0.491 143 I N 1.511 122.024 120.570 -0.094 0.000 2.416 143 I HA 0.026 4.196 4.170 -0.000 0.000 0.288 143 I C 1.329 177.379 176.117 -0.111 0.000 1.051 143 I CA -0.189 61.029 61.300 -0.136 0.000 1.375 143 I CB 1.174 39.019 38.000 -0.258 0.000 1.407 143 I HN 0.276 nan 8.210 nan 0.000 0.516 144 V N 4.022 123.881 119.914 -0.093 0.000 3.379 144 V HA 0.126 4.246 4.120 -0.000 0.000 0.249 144 V C -0.137 175.926 176.094 -0.052 0.000 1.184 144 V CA 0.958 63.217 62.300 -0.068 0.000 1.106 144 V CB 0.156 31.940 31.823 -0.065 0.000 0.826 144 V HN 0.773 nan 8.190 nan 0.000 0.465 145 D N -0.979 119.387 120.400 -0.056 0.000 2.764 145 D HA 0.257 4.897 4.640 -0.000 0.000 0.227 145 D C 0.928 177.196 176.300 -0.054 0.000 1.347 145 D CA -0.452 53.532 54.000 -0.027 0.000 0.953 145 D CB 1.423 42.233 40.800 0.016 0.000 1.476 145 D HN -0.053 nan 8.370 nan 0.000 0.585 146 R N 1.937 122.396 120.500 -0.069 0.000 2.159 146 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 146 R C 0.192 176.459 176.300 -0.055 0.000 1.131 146 R CA 0.338 56.361 56.100 -0.129 0.000 0.982 146 R CB -0.333 29.938 30.300 -0.047 0.000 0.868 146 R HN 0.450 nan 8.270 nan 0.000 0.453 147 N N 1.747 120.481 118.700 0.058 0.000 2.707 147 N HA -0.150 4.590 4.740 -0.000 0.000 0.253 147 N C -1.065 174.650 175.510 0.341 0.000 0.998 147 N CA 0.722 53.872 53.050 0.167 0.000 0.751 147 N CB -1.286 37.285 38.487 0.141 0.000 0.920 147 N HN 0.282 nan 8.380 nan 0.000 0.539 148 N N 0.486 119.348 118.700 0.270 0.000 2.412 148 N HA 0.136 4.876 4.740 -0.000 0.000 0.254 148 N C 0.605 176.273 175.510 0.263 0.000 1.232 148 N CA 0.405 53.606 53.050 0.252 0.000 0.880 148 N CB 0.481 39.059 38.487 0.150 0.000 1.076 148 N HN 0.400 nan 8.380 nan 0.000 0.458 149 A N 4.117 126.913 122.820 -0.040 0.000 2.440 149 A HA 0.250 4.570 4.320 -0.000 0.000 0.251 149 A C -0.913 176.568 177.584 -0.172 0.000 1.089 149 A CA -0.991 50.734 52.037 -0.521 0.000 0.779 149 A CB 0.349 18.705 19.000 -1.073 0.000 1.022 149 A HN 0.514 nan 8.150 nan 0.000 0.492 150 P HA -0.054 nan 4.420 nan 0.000 0.220 150 P C 0.879 178.151 177.300 -0.046 0.000 1.152 150 P CA 1.463 64.549 63.100 -0.023 0.000 0.812 150 P CB 0.336 32.049 31.700 0.022 0.000 0.792 151 S N -1.244 114.407 115.700 -0.083 0.000 2.505 151 S HA 0.171 4.641 4.470 -0.000 0.000 0.216 151 S C 0.669 175.222 174.600 -0.078 0.000 1.018 151 S CA -0.284 57.877 58.200 -0.066 0.000 0.911 151 S CB -0.183 62.984 63.200 -0.055 0.000 0.818 151 S HN 0.010 nan 8.310 nan 0.000 0.497 152 L N 2.734 123.885 121.223 -0.120 0.000 2.334 152 L HA 0.509 4.849 4.340 -0.000 0.000 0.275 152 L C -0.542 176.310 176.870 -0.030 0.000 1.036 152 L CA -0.380 54.405 54.840 -0.091 0.000 0.807 152 L CB 1.060 43.026 42.059 -0.156 0.000 1.231 152 L HN -0.138 nan 8.230 nan 0.000 0.438 153 D N 3.908 124.314 120.400 0.011 0.000 2.541 153 D HA 0.126 4.766 4.640 -0.000 0.000 0.231 153 D C -1.332 175.003 176.300 0.058 0.000 1.163 153 D CA 0.688 54.706 54.000 0.029 0.000 1.077 153 D CB -0.784 40.056 40.800 0.068 0.000 1.110 153 D HN 0.329 nan 8.370 nan 0.000 0.499 154 F N 2.533 122.380 119.950 -0.171 0.000 2.703 154 F HA 0.348 4.875 4.527 -0.000 0.000 0.308 154 F C -1.453 174.322 175.800 -0.040 0.000 1.126 154 F CA -0.667 57.246 58.000 -0.145 0.000 0.959 154 F CB 1.254 40.161 39.000 -0.155 0.000 1.297 154 F HN 0.296 nan 8.300 nan 0.000 0.441 155 H N 2.211 120.597 119.070 -1.140 0.000 3.037 155 H HA 0.821 5.377 4.556 -0.000 0.000 0.355 155 H C -1.942 173.040 175.328 -0.576 0.000 1.263 155 H CA -1.292 54.463 56.048 -0.488 0.000 1.129 155 H CB 1.904 31.577 29.762 -0.148 0.000 1.861 155 H HN 0.857 nan 8.280 nan 0.000 0.546 156 A N 2.694 125.584 122.820 0.116 0.000 3.204 156 A HA 0.366 4.686 4.320 -0.000 0.000 0.327 156 A C -2.888 174.803 177.584 0.178 0.000 0.998 156 A CA -1.601 50.532 52.037 0.160 0.000 0.891 156 A CB -0.238 18.929 19.000 0.278 0.000 1.061 156 A HN 0.436 nan 8.150 nan 0.000 0.478 157 P HA -0.023 nan 4.420 nan 0.000 0.261 157 P C -0.097 177.253 177.300 0.084 0.000 1.183 157 P CA 0.323 63.381 63.100 -0.071 0.000 0.761 157 P CB 0.243 31.751 31.700 -0.321 0.000 0.785 158 R N 4.172 124.696 120.500 0.039 0.000 2.298 158 R HA 0.290 4.629 4.340 -0.000 0.000 0.310 158 R C -0.064 176.117 176.300 -0.197 0.000 1.068 158 R CA -0.478 55.483 56.100 -0.232 0.000 0.957 158 R CB 0.078 30.309 30.300 -0.115 0.000 1.003 158 R HN 0.502 nan 8.270 nan 0.000 0.454 159 L N 3.026 124.108 121.223 -0.235 0.000 2.439 159 L HA 0.135 4.475 4.340 -0.000 0.000 0.259 159 L C 1.421 178.239 176.870 -0.087 0.000 1.129 159 L CA -0.714 54.069 54.840 -0.094 0.000 0.803 159 L CB 0.991 43.046 42.059 -0.007 0.000 1.161 159 L HN 0.746 nan 8.230 nan 0.000 0.462 160 D N -0.514 119.867 120.400 -0.032 0.000 2.178 160 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 160 D C 0.217 176.462 176.300 -0.092 0.000 0.974 160 D CA 1.347 55.307 54.000 -0.066 0.000 0.841 160 D CB 0.122 40.878 40.800 -0.074 0.000 0.953 160 D HN 0.155 nan 8.370 nan 0.000 0.478 161 K N -0.028 120.349 120.400 -0.040 0.000 2.443 161 K HA 0.403 4.723 4.320 -0.000 0.000 0.251 161 K C -0.307 176.312 176.600 0.032 0.000 0.972 161 K CA -0.882 55.326 56.287 -0.131 0.000 0.833 161 K CB 2.489 34.731 32.500 -0.430 0.000 1.317 161 K HN 0.013 nan 8.250 nan 0.000 0.441 162 L N 2.015 123.250 121.223 0.020 0.000 2.462 162 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 162 L C 0.277 177.272 176.870 0.208 0.000 1.166 162 L CA -0.497 54.388 54.840 0.075 0.000 0.880 162 L CB 0.224 42.335 42.059 0.086 0.000 1.142 162 L HN 0.130 nan 8.230 nan 0.000 0.473 163 V N 3.359 123.234 119.914 -0.065 0.000 2.614 163 V HA 0.054 4.174 4.120 -0.000 0.000 0.291 163 V C 1.238 177.294 176.094 -0.062 0.000 1.049 163 V CA 0.450 62.596 62.300 -0.256 0.000 1.038 163 V CB 1.366 32.737 31.823 -0.754 0.000 0.980 163 V HN 1.012 nan 8.190 nan 0.000 0.481 164 T N 0.423 115.012 114.554 0.057 0.000 3.038 164 T HA 0.061 4.411 4.350 -0.000 0.000 0.244 164 T C 1.273 175.995 174.700 0.036 0.000 1.016 164 T CA 0.137 62.258 62.100 0.034 0.000 1.098 164 T CB -0.009 68.865 68.868 0.010 0.000 0.954 164 T HN 0.511 nan 8.240 nan 0.000 0.469 165 E N 1.789 122.039 120.200 0.083 0.000 2.204 165 E HA 0.118 4.468 4.350 -0.000 0.000 0.194 165 E C 0.892 177.587 176.600 0.159 0.000 0.989 165 E CA 0.731 57.227 56.400 0.160 0.000 0.824 165 E CB -0.064 29.770 29.700 0.223 0.000 0.756 165 E HN 0.716 nan 8.360 nan 0.000 0.477 166 V N -3.574 116.338 119.914 -0.003 0.000 3.049 166 V HA 0.827 4.947 4.120 -0.000 0.000 0.309 166 V C -0.540 175.505 176.094 -0.082 0.000 1.148 166 V CA -1.312 60.986 62.300 -0.005 0.000 0.990 166 V CB 1.817 33.601 31.823 -0.065 0.000 1.039 166 V HN -0.055 nan 8.190 nan 0.000 0.430 167 A N 3.791 126.596 122.820 -0.025 0.000 2.340 167 A HA 0.910 5.230 4.320 -0.000 0.000 0.268 167 A C -2.352 175.206 177.584 -0.044 0.000 1.100 167 A CA -1.537 50.478 52.037 -0.036 0.000 0.803 167 A CB -0.043 18.960 19.000 0.004 0.000 1.043 167 A HN 0.852 nan 8.150 nan 0.000 0.488 168 P HA 0.205 nan 4.420 nan 0.000 0.272 168 P C 0.053 177.399 177.300 0.077 0.000 1.223 168 P CA -0.050 63.049 63.100 -0.002 0.000 0.784 168 P CB 0.489 32.184 31.700 -0.010 0.000 0.923 169 T N 0.924 115.567 114.554 0.149 0.000 2.907 169 T HA 0.474 4.823 4.350 -0.000 0.000 0.298 169 T C 0.178 174.997 174.700 0.198 0.000 1.017 169 T CA -0.438 61.797 62.100 0.225 0.000 1.118 169 T CB -0.132 68.983 68.868 0.412 0.000 0.948 169 T HN 0.462 nan 8.240 nan 0.000 0.531 170 A N 3.664 126.599 122.820 0.191 0.000 2.445 170 A HA 0.508 4.828 4.320 -0.000 0.000 0.242 170 A C 0.570 178.263 177.584 0.183 0.000 1.075 170 A CA -0.310 51.824 52.037 0.162 0.000 0.777 170 A CB -0.135 18.948 19.000 0.139 0.000 1.013 170 A HN 1.206 nan 8.150 nan 0.000 0.493 171 V N 0.687 120.690 119.914 0.147 0.000 2.834 171 V HA 0.714 4.834 4.120 -0.000 0.000 0.313 171 V C 0.622 176.780 176.094 0.108 0.000 1.060 171 V CA -0.102 62.272 62.300 0.124 0.000 0.989 171 V CB 1.108 33.001 31.823 0.116 0.000 1.041 171 V HN 1.217 nan 8.190 nan 0.000 0.459 172 T N 2.559 117.164 114.554 0.085 0.000 2.830 172 T HA 0.072 4.422 4.350 -0.000 0.000 0.282 172 T C 1.242 176.022 174.700 0.134 0.000 1.024 172 T CA 0.744 62.919 62.100 0.126 0.000 1.144 172 T CB 0.260 69.203 68.868 0.126 0.000 1.035 172 T HN 1.661 nan 8.240 nan 0.000 0.507 173 A N 4.003 126.913 122.820 0.151 0.000 2.169 173 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 173 A C 2.207 179.850 177.584 0.098 0.000 1.153 173 A CA 0.894 52.992 52.037 0.101 0.000 0.756 173 A CB -0.111 18.931 19.000 0.070 0.000 0.813 173 A HN 0.943 nan 8.150 nan 0.000 0.471 174 Q N -1.517 118.372 119.800 0.149 0.000 2.396 174 Q HA 0.326 4.666 4.340 -0.000 0.000 0.220 174 Q C 1.324 177.387 176.000 0.105 0.000 0.900 174 Q CA 0.257 56.124 55.803 0.108 0.000 0.925 174 Q CB 0.278 29.069 28.738 0.088 0.000 1.065 174 Q HN 0.697 nan 8.270 nan 0.000 0.535 175 G N 1.730 110.621 108.800 0.152 0.000 2.552 175 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.265 175 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.265 175 G C 0.075 175.061 174.900 0.143 0.000 1.234 175 G CA -0.214 44.947 45.100 0.101 0.000 0.944 175 G HN 0.520 nan 8.290 nan 0.000 0.568 176 A N -0.305 122.547 122.820 0.053 0.000 3.048 176 A HA 0.542 4.862 4.320 -0.000 0.000 0.264 176 A C 0.455 178.058 177.584 0.032 0.000 1.796 176 A CA 0.697 52.759 52.037 0.043 0.000 1.445 176 A CB -0.571 18.411 19.000 -0.030 0.000 1.074 176 A HN 1.566 nan 8.150 nan 0.000 0.621 177 V N 1.493 121.430 119.914 0.038 0.000 2.394 177 V HA 0.475 4.595 4.120 -0.000 0.000 0.282 177 V C 0.893 176.967 176.094 -0.034 0.000 1.031 177 V CA -0.477 61.811 62.300 -0.021 0.000 0.881 177 V CB 1.192 32.980 31.823 -0.059 0.000 0.982 177 V HN 0.780 nan 8.190 nan 0.000 0.451 178 A N 4.088 126.897 122.820 -0.018 0.000 2.522 178 A HA 0.503 4.823 4.320 -0.000 0.000 0.256 178 A C 1.526 179.102 177.584 -0.015 0.000 1.086 178 A CA 0.650 52.686 52.037 -0.002 0.000 0.763 178 A CB -0.583 18.420 19.000 0.006 0.000 1.024 178 A HN 2.147 nan 8.150 nan 0.000 0.502 179 G N 1.221 110.024 108.800 0.005 0.000 2.189 179 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.267 179 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.267 179 G C 1.184 176.047 174.900 -0.061 0.000 0.975 179 G CA 1.127 46.227 45.100 -0.001 0.000 0.644 179 G HN 1.989 nan 8.290 nan 0.000 0.537 180 A N -0.550 122.142 122.820 -0.213 0.000 1.972 180 A HA 0.201 4.521 4.320 -0.000 0.000 0.219 180 A C 1.744 179.147 177.584 -0.303 0.000 1.169 180 A CA 1.918 53.737 52.037 -0.362 0.000 0.635 180 A CB -0.379 18.230 19.000 -0.652 0.000 0.810 180 A HN 0.846 nan 8.150 nan 0.000 0.446 181 Y N -1.024 119.355 120.300 0.132 0.000 2.470 181 Y HA 0.346 4.896 4.550 -0.000 0.000 0.284 181 Y C 1.523 177.532 175.900 0.182 0.000 1.188 181 Y CA -0.119 58.068 58.100 0.144 0.000 1.269 181 Y CB -0.034 38.389 38.460 -0.060 0.000 1.094 181 Y HN 0.168 nan 8.280 nan 0.000 0.518 182 L N -0.573 120.764 121.223 0.189 0.000 2.463 182 L HA 0.044 4.384 4.340 -0.000 0.000 0.219 182 L C 0.528 177.503 176.870 0.175 0.000 1.088 182 L CA 0.183 55.115 54.840 0.154 0.000 0.849 182 L CB 0.241 42.355 42.059 0.091 0.000 1.012 182 L HN 0.054 nan 8.230 nan 0.000 0.468 183 D N 0.821 121.329 120.400 0.180 0.000 2.367 183 D HA -0.037 4.603 4.640 -0.000 0.000 0.255 183 D C 1.082 177.485 176.300 0.172 0.000 1.300 183 D CA 0.383 54.463 54.000 0.134 0.000 0.959 183 D CB 0.882 41.721 40.800 0.065 0.000 1.064 183 D HN -0.042 nan 8.370 nan 0.000 0.509 184 K N 2.184 122.675 120.400 0.152 0.000 2.160 184 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 184 K C 1.647 178.287 176.600 0.067 0.000 1.047 184 K CA 1.122 57.494 56.287 0.142 0.000 0.930 184 K CB 0.154 32.728 32.500 0.124 0.000 0.720 184 K HN 0.514 nan 8.250 nan 0.000 0.450 185 E N 0.498 120.710 120.200 0.021 0.000 2.017 185 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 185 E C 2.209 178.748 176.600 -0.102 0.000 0.997 185 E CA 1.145 57.528 56.400 -0.029 0.000 0.804 185 E CB 0.084 29.761 29.700 -0.038 0.000 0.757 185 E HN 0.157 nan 8.360 nan 0.000 0.448 186 R N -0.665 119.715 120.500 -0.200 0.000 2.075 186 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 186 R C 0.156 176.113 176.300 -0.573 0.000 1.126 186 R CA 1.013 56.825 56.100 -0.480 0.000 0.963 186 R CB 0.135 29.982 30.300 -0.755 0.000 0.858 186 R HN 0.192 nan 8.270 nan 0.000 0.435 187 Y N 0.072 120.341 120.300 -0.052 0.000 2.805 187 Y HA 0.302 4.852 4.550 -0.000 0.000 0.339 187 Y C -1.726 174.111 175.900 -0.105 0.000 1.012 187 Y CA -2.296 55.714 58.100 -0.150 0.000 1.262 187 Y CB 1.727 40.109 38.460 -0.130 0.000 1.100 187 Y HN 0.102 nan 8.280 nan 0.000 0.559 188 P HA -0.098 nan 4.420 nan 0.000 0.221 188 P C 0.152 177.488 177.300 0.060 0.000 1.150 188 P CA 0.954 64.083 63.100 0.048 0.000 0.800 188 P CB 1.087 32.798 31.700 0.018 0.000 0.787 189 V N -1.205 118.647 119.914 -0.102 0.000 3.012 189 V HA 0.534 4.654 4.120 -0.000 0.000 0.307 189 V C -1.863 174.087 176.094 -0.240 0.000 1.166 189 V CA -1.079 61.220 62.300 -0.002 0.000 0.974 189 V CB 2.100 33.942 31.823 0.033 0.000 1.040 189 V HN -0.250 nan 8.190 nan 0.000 0.428 190 F N 5.771 125.872 119.950 0.251 0.000 2.540 190 F HA 0.772 5.299 4.527 -0.000 0.000 0.317 190 F C -0.941 175.215 175.800 0.594 0.000 1.104 190 F CA -0.587 57.593 58.000 0.300 0.000 0.913 190 F CB 1.999 41.058 39.000 0.098 0.000 1.170 190 F HN 0.368 nan 8.300 nan 0.000 0.450 191 Y N 1.508 122.180 120.300 0.620 0.000 2.499 191 Y HA 0.759 5.309 4.550 -0.000 0.000 0.347 191 Y C -0.228 175.949 175.900 0.461 0.000 0.987 191 Y CA -1.970 56.471 58.100 0.569 0.000 1.044 191 Y CB 2.292 41.141 38.460 0.648 0.000 1.245 191 Y HN 0.625 nan 8.280 nan 0.000 0.461 192 R N 2.149 122.942 120.500 0.490 0.000 2.817 192 R HA 0.980 5.320 4.340 -0.000 0.000 0.268 192 R C -1.945 174.428 176.300 0.122 0.000 1.027 192 R CA -1.143 55.127 56.100 0.283 0.000 0.928 192 R CB 2.450 32.908 30.300 0.265 0.000 1.228 192 R HN 0.615 nan 8.270 nan 0.000 0.469 193 L N -2.685 118.549 121.223 0.018 0.000 2.622 193 L HA 0.997 5.337 4.340 -0.000 0.000 0.258 193 L C -0.735 176.118 176.870 -0.028 0.000 0.996 193 L CA -0.729 54.085 54.840 -0.044 0.000 0.858 193 L CB 2.319 44.263 42.059 -0.191 0.000 1.449 193 L HN 1.020 nan 8.230 nan 0.000 0.411 194 G N -0.235 108.542 108.800 -0.038 0.000 2.356 194 G HA2 0.438 4.398 3.960 -0.000 0.000 0.294 194 G HA3 0.438 4.398 3.960 -0.000 0.000 0.294 194 G C -0.612 174.238 174.900 -0.082 0.000 1.423 194 G CA 0.012 45.080 45.100 -0.054 0.000 0.806 194 G HN 1.192 nan 8.290 nan 0.000 0.527 195 S N -0.756 114.879 115.700 -0.108 0.000 2.754 195 S HA 0.528 4.998 4.470 -0.000 0.000 0.247 195 S C 1.006 175.413 174.600 -0.321 0.000 1.031 195 S CA 0.570 58.658 58.200 -0.188 0.000 1.014 195 S CB 0.278 63.428 63.200 -0.083 0.000 0.918 195 S HN 1.568 nan 8.310 nan 0.000 0.519 196 G N 1.273 109.899 108.800 -0.290 0.000 2.614 196 G HA2 0.364 4.324 3.960 -0.000 0.000 0.239 196 G HA3 0.364 4.324 3.960 -0.000 0.000 0.239 196 G C 0.003 174.654 174.900 -0.415 0.000 1.240 196 G CA -0.340 44.544 45.100 -0.360 0.000 0.842 196 G HN 0.345 nan 8.290 nan 0.000 0.584 197 T N 1.973 116.265 114.554 -0.437 0.000 2.517 197 T HA -0.064 4.286 4.350 -0.000 0.000 0.229 197 T C 0.275 174.665 174.700 -0.517 0.000 1.039 197 T CA 0.820 62.623 62.100 -0.494 0.000 1.186 197 T CB -0.024 68.599 68.868 -0.408 0.000 1.016 197 T HN 0.405 nan 8.240 nan 0.000 0.475 198 Q N 3.045 122.485 119.800 -0.600 0.000 2.331 198 Q HA 0.355 4.695 4.340 -0.000 0.000 0.257 198 Q C -0.803 175.028 176.000 -0.281 0.000 0.957 198 Q CA -0.101 55.496 55.803 -0.344 0.000 0.923 198 Q CB 1.027 29.577 28.738 -0.314 0.000 1.212 198 Q HN 0.657 nan 8.270 nan 0.000 0.443 199 Y N 1.241 121.535 120.300 -0.009 0.000 2.562 199 Y HA 0.540 5.090 4.550 -0.000 0.000 0.343 199 Y C 0.462 176.351 175.900 -0.018 0.000 1.025 199 Y CA -1.281 56.809 58.100 -0.017 0.000 1.082 199 Y CB 1.586 40.038 38.460 -0.014 0.000 1.264 199 Y HN 0.473 nan 8.280 nan 0.000 0.478 200 I N -0.226 120.428 120.570 0.140 0.000 2.441 200 I HA 0.636 4.806 4.170 -0.000 0.000 0.295 200 I C -0.909 175.254 176.117 0.077 0.000 0.994 200 I CA -0.943 60.395 61.300 0.063 0.000 1.144 200 I CB 1.845 39.840 38.000 -0.008 0.000 1.314 200 I HN 0.440 nan 8.210 nan 0.000 0.445 201 K N 4.325 124.761 120.400 0.060 0.000 2.274 201 K HA 0.313 4.633 4.320 -0.000 0.000 0.262 201 K C -1.049 175.707 176.600 0.259 0.000 0.961 201 K CA -0.642 55.707 56.287 0.104 0.000 0.833 201 K CB 1.254 33.802 32.500 0.080 0.000 1.102 201 K HN 0.885 nan 8.250 nan 0.000 0.436 202 D N 1.953 122.482 120.400 0.214 0.000 2.354 202 D HA 0.068 4.708 4.640 -0.000 0.000 0.247 202 D C 0.832 177.169 176.300 0.061 0.000 1.138 202 D CA -0.307 53.844 54.000 0.253 0.000 0.958 202 D CB 1.222 42.084 40.800 0.102 0.000 1.144 202 D HN 0.366 nan 8.370 nan 0.000 0.458 203 S N 0.195 115.716 115.700 -0.297 0.000 2.490 203 S HA -0.291 4.179 4.470 -0.000 0.000 0.291 203 S C 1.113 175.494 174.600 -0.364 0.000 1.182 203 S CA 1.917 59.742 58.200 -0.624 0.000 1.215 203 S CB -0.658 62.351 63.200 -0.317 0.000 1.176 203 S HN 0.634 nan 8.310 nan 0.000 0.440 204 N N 0.652 119.243 118.700 -0.182 0.000 2.375 204 N HA 0.226 4.966 4.740 -0.000 0.000 0.220 204 N C 1.011 176.464 175.510 -0.095 0.000 1.170 204 N CA 0.807 53.782 53.050 -0.126 0.000 0.833 204 N CB 0.116 38.553 38.487 -0.083 0.000 1.069 204 N HN 0.582 nan 8.380 nan 0.000 0.479 205 G N 0.956 109.703 108.800 -0.089 0.000 2.155 205 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 205 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 205 G C 0.120 174.988 174.900 -0.052 0.000 0.983 205 G CA 0.393 45.457 45.100 -0.060 0.000 0.676 205 G HN 0.521 nan 8.290 nan 0.000 0.528 206 Q N -0.166 119.615 119.800 -0.032 0.000 2.314 206 Q HA 0.651 4.991 4.340 -0.000 0.000 0.258 206 Q C 0.245 176.234 176.000 -0.019 0.000 0.954 206 Q CA -0.365 55.420 55.803 -0.029 0.000 0.890 206 Q CB 0.458 29.187 28.738 -0.016 0.000 1.210 206 Q HN 0.391 nan 8.270 nan 0.000 0.410 207 L N 3.592 124.787 121.223 -0.048 0.000 2.307 207 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 207 L C -0.568 176.330 176.870 0.046 0.000 1.023 207 L CA -0.723 54.090 54.840 -0.046 0.000 0.810 207 L CB 2.064 43.977 42.059 -0.243 0.000 1.231 207 L HN 0.694 nan 8.230 nan 0.000 0.423 208 T N 2.659 117.284 114.554 0.119 0.000 2.770 208 T HA 0.200 4.550 4.350 -0.000 0.000 0.283 208 T C -0.163 174.671 174.700 0.223 0.000 0.988 208 T CA -0.586 61.592 62.100 0.130 0.000 0.957 208 T CB 1.418 70.319 68.868 0.054 0.000 0.930 208 T HN 0.371 nan 8.240 nan 0.000 0.443 209 K N 3.872 124.393 120.400 0.201 0.000 2.383 209 K HA 0.151 4.471 4.320 -0.000 0.000 0.286 209 K C 0.901 177.467 176.600 -0.056 0.000 1.051 209 K CA -0.478 55.795 56.287 -0.023 0.000 0.974 209 K CB 0.397 32.842 32.500 -0.092 0.000 0.968 209 K HN 0.403 nan 8.250 nan 0.000 0.475 210 M N 2.078 121.632 119.600 -0.078 0.000 2.394 210 M HA 0.159 4.639 4.480 -0.000 0.000 0.266 210 M C 0.874 177.279 176.300 0.175 0.000 1.098 210 M CA 0.626 55.959 55.300 0.055 0.000 1.149 210 M CB 0.015 32.662 32.600 0.079 0.000 1.369 210 M HN 0.767 nan 8.290 nan 0.000 0.450 211 G N -1.448 107.308 108.800 -0.073 0.000 2.466 211 G HA2 0.498 4.458 3.960 -0.000 0.000 0.291 211 G HA3 0.498 4.458 3.960 -0.000 0.000 0.291 211 G C -0.664 173.973 174.900 -0.439 0.000 1.460 211 G CA -0.448 44.532 45.100 -0.201 0.000 0.791 211 G HN 0.311 nan 8.290 nan 0.000 0.505 212 G N -0.758 107.827 108.800 -0.359 0.000 2.621 212 G HA2 0.670 4.630 3.960 -0.000 0.000 0.271 212 G HA3 0.670 4.630 3.960 -0.000 0.000 0.271 212 G C 0.755 175.353 174.900 -0.503 0.000 1.236 212 G CA 0.565 45.435 45.100 -0.383 0.000 0.958 212 G HN 1.648 nan 8.290 nan 0.000 0.512 213 A N -1.465 121.034 122.820 -0.536 0.000 2.425 213 A HA 0.476 4.796 4.320 -0.000 0.000 0.242 213 A C 0.001 177.211 177.584 -0.625 0.000 1.077 213 A CA 0.197 51.764 52.037 -0.783 0.000 0.781 213 A CB -0.412 17.854 19.000 -1.225 0.000 1.020 213 A HN 1.414 nan 8.150 nan 0.000 0.494 214 Y N 0.368 120.516 120.300 -0.254 0.000 4.490 214 Y HA -0.234 4.316 4.550 -0.000 0.000 0.233 214 Y C 1.568 177.371 175.900 -0.161 0.000 1.101 214 Y CA 0.565 58.554 58.100 -0.185 0.000 2.010 214 Y CB -2.565 35.815 38.460 -0.134 0.000 1.622 214 Y HN 0.512 nan 8.280 nan 0.000 0.675 215 S N -2.070 113.534 115.700 -0.159 0.000 2.460 215 S HA 0.234 4.704 4.470 -0.000 0.000 0.226 215 S C 0.326 175.004 174.600 0.130 0.000 1.057 215 S CA 0.799 58.968 58.200 -0.052 0.000 0.948 215 S CB 0.581 63.687 63.200 -0.156 0.000 0.822 215 S HN 0.598 nan 8.310 nan 0.000 0.512 216 W N -0.097 121.191 121.300 -0.020 0.000 3.066 216 W HA 0.698 5.358 4.660 -0.000 0.000 0.330 216 W C -2.311 174.187 176.519 -0.035 0.000 1.253 216 W CA -1.203 56.122 57.345 -0.034 0.000 1.187 216 W CB 0.056 29.496 29.460 -0.033 0.000 1.434 216 W HN -0.190 nan 8.180 nan 0.000 0.572 217 L N 2.955 124.336 121.223 0.264 0.000 2.334 217 L HA 0.787 5.127 4.340 -0.000 0.000 0.277 217 L C 0.441 177.436 176.870 0.209 0.000 1.075 217 L CA -0.565 54.355 54.840 0.133 0.000 0.804 217 L CB 1.621 43.728 42.059 0.079 0.000 1.174 217 L HN 0.600 nan 8.230 nan 0.000 0.438 218 T N -0.680 113.924 114.554 0.082 0.000 2.912 218 T HA 0.847 5.197 4.350 -0.000 0.000 0.299 218 T C -0.335 174.367 174.700 0.004 0.000 1.052 218 T CA -0.745 61.383 62.100 0.047 0.000 0.996 218 T CB 2.107 70.976 68.868 0.002 0.000 1.070 218 T HN 0.781 nan 8.240 nan 0.000 0.465 219 G N -0.800 108.006 108.800 0.010 0.000 2.695 219 G HA2 0.881 4.841 3.960 -0.000 0.000 0.290 219 G HA3 0.881 4.841 3.960 -0.000 0.000 0.290 219 G C -0.442 174.161 174.900 -0.496 0.000 1.410 219 G CA -0.285 44.785 45.100 -0.049 0.000 0.844 219 G HN 1.395 nan 8.290 nan 0.000 0.478 220 G N -1.297 107.020 108.800 -0.805 0.000 2.452 220 G HA2 0.652 4.612 3.960 -0.000 0.000 0.224 220 G HA3 0.652 4.612 3.960 -0.000 0.000 0.224 220 G C -0.311 174.348 174.900 -0.401 0.000 1.208 220 G CA 0.866 45.293 45.100 -1.122 0.000 0.946 220 G HN 1.644 nan 8.290 nan 0.000 0.481 221 T N -2.568 111.923 114.554 -0.105 0.000 2.949 221 T HA 0.803 5.153 4.350 -0.000 0.000 0.287 221 T C -0.955 173.879 174.700 0.224 0.000 1.034 221 T CA -0.830 61.389 62.100 0.197 0.000 1.018 221 T CB 2.050 71.082 68.868 0.272 0.000 1.135 221 T HN 1.274 nan 8.240 nan 0.000 0.532 222 V N 0.330 120.428 119.914 0.306 0.000 2.932 222 V HA 0.695 4.815 4.120 -0.000 0.000 0.307 222 V C 0.768 176.982 176.094 0.200 0.000 1.147 222 V CA -0.655 61.773 62.300 0.214 0.000 0.951 222 V CB 2.079 33.987 31.823 0.142 0.000 1.031 222 V HN 1.366 nan 8.190 nan 0.000 0.426 223 G N 2.088 110.963 108.800 0.126 0.000 2.594 223 G HA2 0.342 4.302 3.960 -0.000 0.000 0.243 223 G HA3 0.342 4.302 3.960 -0.000 0.000 0.243 223 G C 0.298 175.159 174.900 -0.065 0.000 1.229 223 G CA -0.048 45.112 45.100 0.100 0.000 0.843 223 G HN 0.752 nan 8.290 nan 0.000 0.578 224 S N -0.931 114.777 115.700 0.013 0.000 2.571 224 S HA 0.052 4.522 4.470 -0.000 0.000 0.298 224 S C 0.083 174.565 174.600 -0.196 0.000 1.280 224 S CA 0.315 58.453 58.200 -0.103 0.000 1.052 224 S CB -0.007 63.269 63.200 0.127 0.000 0.799 224 S HN 0.396 nan 8.310 nan 0.000 0.501 225 L N 2.783 123.828 121.223 -0.298 0.000 2.365 225 L HA 0.488 4.828 4.340 -0.000 0.000 0.273 225 L C 0.314 177.186 176.870 0.003 0.000 1.000 225 L CA -0.490 54.251 54.840 -0.166 0.000 0.819 225 L CB 1.951 43.825 42.059 -0.308 0.000 1.284 225 L HN 0.646 nan 8.230 nan 0.000 0.418 226 S N 0.427 116.163 115.700 0.060 0.000 2.632 226 S HA 0.708 5.178 4.470 -0.000 0.000 0.271 226 S C 0.005 174.698 174.600 0.155 0.000 1.260 226 S CA -0.760 57.500 58.200 0.101 0.000 1.010 226 S CB 1.310 64.566 63.200 0.093 0.000 0.965 226 S HN 0.521 nan 8.310 nan 0.000 0.534 227 S N 1.219 117.008 115.700 0.148 0.000 2.654 227 S HA 0.719 5.189 4.470 -0.000 0.000 0.283 227 S C -0.688 174.048 174.600 0.228 0.000 1.180 227 S CA -0.693 57.599 58.200 0.152 0.000 1.021 227 S CB 0.418 63.672 63.200 0.089 0.000 1.018 227 S HN 0.874 nan 8.310 nan 0.000 0.532 228 Y N -1.022 119.305 120.300 0.045 0.000 2.818 228 Y HA 0.591 5.141 4.550 -0.000 0.000 0.322 228 Y C -0.096 175.819 175.900 0.024 0.000 1.323 228 Y CA -1.470 56.648 58.100 0.030 0.000 1.090 228 Y CB 0.449 38.924 38.460 0.025 0.000 1.328 228 Y HN 0.608 nan 8.280 nan 0.000 0.482 229 Q N 2.293 122.109 119.800 0.027 0.000 2.443 229 Q HA -0.285 4.055 4.340 -0.000 0.000 0.337 229 Q C -0.546 175.407 176.000 -0.079 0.000 1.401 229 Q CA 1.064 56.831 55.803 -0.059 0.000 0.943 229 Q CB -1.423 27.198 28.738 -0.195 0.000 1.177 229 Q HN 0.906 nan 8.270 nan 0.000 0.394 230 N N -2.188 116.499 118.700 -0.022 0.000 2.714 230 N HA -0.287 4.453 4.740 -0.000 0.000 0.250 230 N C 0.752 176.241 175.510 -0.035 0.000 1.117 230 N CA 1.649 54.687 53.050 -0.021 0.000 0.719 230 N CB -1.542 36.933 38.487 -0.021 0.000 1.081 230 N HN 1.098 nan 8.380 nan 0.000 0.557 231 G N -0.399 108.373 108.800 -0.047 0.000 2.241 231 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.244 231 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.244 231 G C 0.742 175.603 174.900 -0.065 0.000 0.998 231 G CA 0.616 45.698 45.100 -0.029 0.000 0.621 231 G HN 0.525 nan 8.290 nan 0.000 0.519 232 E N -0.463 119.663 120.200 -0.123 0.000 2.265 232 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 232 E C 1.104 177.578 176.600 -0.210 0.000 0.996 232 E CA 0.740 57.047 56.400 -0.154 0.000 0.832 232 E CB -0.018 29.587 29.700 -0.158 0.000 0.756 232 E HN 0.448 nan 8.360 nan 0.000 0.491 233 M N -0.171 119.224 119.600 -0.343 0.000 2.658 233 M HA 0.445 4.925 4.480 -0.000 0.000 0.295 233 M C -1.000 175.120 176.300 -0.300 0.000 1.248 233 M CA -1.031 53.988 55.300 -0.468 0.000 0.843 233 M CB 2.050 33.974 32.600 -1.127 0.000 1.749 233 M HN -0.158 nan 8.290 nan 0.000 0.464 234 I N 0.466 121.039 120.570 0.005 0.000 2.722 234 I HA 0.629 4.799 4.170 -0.000 0.000 0.295 234 I C -0.642 175.735 176.117 0.433 0.000 1.161 234 I CA 0.244 61.666 61.300 0.203 0.000 1.032 234 I CB 2.233 40.277 38.000 0.074 0.000 1.244 234 I HN 0.863 nan 8.210 nan 0.000 0.421 235 S N 2.856 118.779 115.700 0.373 0.000 2.656 235 S HA 0.936 5.406 4.470 -0.000 0.000 0.273 235 S C -0.784 173.959 174.600 0.237 0.000 1.168 235 S CA -0.641 57.782 58.200 0.373 0.000 0.817 235 S CB 2.208 65.561 63.200 0.255 0.000 1.146 235 S HN 0.737 nan 8.310 nan 0.000 0.475 236 T N 0.337 115.042 114.554 0.253 0.000 2.770 236 T HA 0.485 4.835 4.350 -0.000 0.000 0.323 236 T C -1.230 173.571 174.700 0.167 0.000 1.683 236 T CA -0.110 62.085 62.100 0.158 0.000 1.024 236 T CB 1.203 70.126 68.868 0.092 0.000 1.557 236 T HN 1.340 nan 8.240 nan 0.000 0.494 237 S N 1.705 117.471 115.700 0.109 0.000 3.983 237 S HA 0.207 4.677 4.470 -0.000 0.000 0.194 237 S C 1.552 176.217 174.600 0.107 0.000 1.464 237 S CA 0.103 58.356 58.200 0.087 0.000 1.021 237 S CB -0.406 62.819 63.200 0.042 0.000 1.424 237 S HN 0.776 nan 8.310 nan 0.000 0.473 238 S N 1.028 116.845 115.700 0.195 0.000 2.474 238 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 238 S C 1.802 176.520 174.600 0.197 0.000 0.997 238 S CA 0.548 58.889 58.200 0.235 0.000 0.949 238 S CB -0.711 62.717 63.200 0.379 0.000 0.766 238 S HN 0.695 nan 8.310 nan 0.000 0.517 239 G N 1.441 110.288 108.800 0.078 0.000 2.509 239 G HA2 0.116 4.076 3.960 -0.000 0.000 0.218 239 G HA3 0.116 4.076 3.960 -0.000 0.000 0.218 239 G C 0.699 175.489 174.900 -0.183 0.000 1.124 239 G CA -0.045 44.859 45.100 -0.327 0.000 0.776 239 G HN 0.558 nan 8.290 nan 0.000 0.547 240 L N 2.695 123.880 121.223 -0.064 0.000 2.436 240 L HA 0.075 4.415 4.340 -0.000 0.000 0.244 240 L C 1.975 178.828 176.870 -0.029 0.000 1.396 240 L CA -0.656 54.167 54.840 -0.029 0.000 1.217 240 L CB 0.292 42.346 42.059 -0.008 0.000 1.420 240 L HN 0.155 nan 8.230 nan 0.000 0.434 241 V N -3.289 116.596 119.914 -0.048 0.000 2.809 241 V HA -0.180 3.940 4.120 -0.000 0.000 0.256 241 V C 1.719 177.610 176.094 -0.338 0.000 1.080 241 V CA 1.181 63.385 62.300 -0.160 0.000 1.102 241 V CB -0.794 30.910 31.823 -0.198 0.000 0.705 241 V HN 0.429 nan 8.190 nan 0.000 0.475 242 F N 0.528 120.343 119.950 -0.224 0.000 2.743 242 F HA 0.284 4.811 4.527 -0.000 0.000 0.297 242 F C 1.283 176.788 175.800 -0.493 0.000 1.131 242 F CA 0.573 58.371 58.000 -0.336 0.000 1.426 242 F CB 0.117 39.016 39.000 -0.168 0.000 1.116 242 F HN 0.157 nan 8.300 nan 0.000 0.583 243 D N -0.291 120.008 120.400 -0.169 0.000 2.453 243 D HA -0.009 4.631 4.640 -0.000 0.000 0.223 243 D C 0.614 176.832 176.300 -0.137 0.000 1.183 243 D CA -0.007 53.923 54.000 -0.116 0.000 0.933 243 D CB 0.022 40.814 40.800 -0.012 0.000 1.038 243 D HN 0.177 nan 8.370 nan 0.000 0.513 244 Y N 2.583 122.930 120.300 0.077 0.000 2.293 244 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 244 Y C 2.406 178.345 175.900 0.064 0.000 1.137 244 Y CA 1.158 59.291 58.100 0.055 0.000 1.202 244 Y CB -0.292 38.179 38.460 0.019 0.000 0.990 244 Y HN 0.405 nan 8.280 nan 0.000 0.537 245 K N -0.146 120.382 120.400 0.212 0.000 2.211 245 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 245 K C 1.806 178.489 176.600 0.137 0.000 1.050 245 K CA 1.591 57.973 56.287 0.159 0.000 0.945 245 K CB -0.470 32.106 32.500 0.127 0.000 0.732 245 K HN 0.288 nan 8.250 nan 0.000 0.451 246 L N 0.943 122.237 121.223 0.118 0.000 2.168 246 L HA 0.137 4.477 4.340 -0.000 0.000 0.203 246 L C 0.946 177.890 176.870 0.123 0.000 1.078 246 L CA 1.406 56.308 54.840 0.103 0.000 0.780 246 L CB -0.075 42.028 42.059 0.073 0.000 0.939 246 L HN 0.190 nan 8.230 nan 0.000 0.451 247 N N -0.151 118.625 118.700 0.127 0.000 2.184 247 N HA 0.307 5.047 4.740 -0.000 0.000 0.206 247 N C 0.473 176.101 175.510 0.196 0.000 1.151 247 N CA 0.777 53.913 53.050 0.142 0.000 0.878 247 N CB 0.901 39.444 38.487 0.093 0.000 1.014 247 N HN 0.413 nan 8.380 nan 0.000 0.512 248 G N 0.587 109.519 108.800 0.220 0.000 2.728 248 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.294 248 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.294 248 G C 0.609 175.667 174.900 0.264 0.000 1.342 248 G CA -0.218 45.031 45.100 0.247 0.000 0.866 248 G HN 0.246 nan 8.290 nan 0.000 0.534 249 A N -0.721 122.215 122.820 0.194 0.000 2.119 249 A HA 0.453 4.773 4.320 -0.000 0.000 0.217 249 A C 1.552 179.234 177.584 0.164 0.000 1.153 249 A CA 2.042 54.140 52.037 0.102 0.000 0.692 249 A CB -0.162 18.809 19.000 -0.048 0.000 0.799 249 A HN 0.887 nan 8.150 nan 0.000 0.458 250 M N -0.023 119.670 119.600 0.155 0.000 3.053 250 M HA 0.225 4.705 4.480 -0.000 0.000 0.293 250 M C -2.962 173.458 176.300 0.200 0.000 1.470 250 M CA -1.674 53.713 55.300 0.145 0.000 0.582 250 M CB 1.739 34.249 32.600 -0.150 0.000 1.435 250 M HN -0.135 nan 8.290 nan 0.000 0.451 251 P HA 0.183 nan 4.420 nan 0.000 0.265 251 P C -0.894 176.409 177.300 0.005 0.000 1.193 251 P CA 0.365 63.508 63.100 0.072 0.000 0.765 251 P CB 0.816 32.503 31.700 -0.023 0.000 0.823 252 I N 3.055 123.633 120.570 0.012 0.000 2.802 252 I HA 0.496 4.666 4.170 -0.000 0.000 0.298 252 I C -1.754 174.430 176.117 0.112 0.000 1.176 252 I CA -1.154 60.124 61.300 -0.037 0.000 1.025 252 I CB 1.689 39.614 38.000 -0.125 0.000 1.243 252 I HN 0.217 nan 8.210 nan 0.000 0.424 253 Y N 5.660 125.933 120.300 -0.044 0.000 2.376 253 Y HA 0.749 5.299 4.550 -0.000 0.000 0.340 253 Y C -0.029 175.856 175.900 -0.025 0.000 0.965 253 Y CA -0.830 57.265 58.100 -0.009 0.000 1.078 253 Y CB 1.951 40.391 38.460 -0.033 0.000 1.193 253 Y HN 0.571 nan 8.280 nan 0.000 0.452 254 G N 5.638 114.125 108.800 -0.522 0.000 2.380 254 G HA2 0.399 4.359 3.960 -0.000 0.000 0.262 254 G HA3 0.399 4.359 3.960 -0.000 0.000 0.262 254 G C -0.613 173.850 174.900 -0.728 0.000 1.243 254 G CA -0.451 44.343 45.100 -0.510 0.000 0.865 254 G HN 0.670 nan 8.290 nan 0.000 0.513 255 E N 0.595 120.561 120.200 -0.390 0.000 2.390 255 E HA 0.536 4.886 4.350 -0.000 0.000 0.249 255 E C 0.399 176.877 176.600 -0.202 0.000 0.981 255 E CA -0.917 55.338 56.400 -0.242 0.000 0.860 255 E CB 1.461 31.146 29.700 -0.025 0.000 1.278 255 E HN 0.571 nan 8.360 nan 0.000 0.416 256 A N -0.185 122.554 122.820 -0.136 0.000 2.567 256 A HA 0.359 4.679 4.320 -0.000 0.000 0.240 256 A C 1.130 178.580 177.584 -0.222 0.000 1.053 256 A CA 1.247 53.199 52.037 -0.142 0.000 0.755 256 A CB -0.786 18.150 19.000 -0.106 0.000 0.978 256 A HN 0.770 nan 8.150 nan 0.000 0.507 257 G N 1.589 110.273 108.800 -0.193 0.000 2.234 257 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.235 257 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.235 257 G C 0.547 175.348 174.900 -0.164 0.000 0.997 257 G CA 0.559 45.490 45.100 -0.282 0.000 0.623 257 G HN 0.701 nan 8.290 nan 0.000 0.514 258 D N 1.441 121.735 120.400 -0.178 0.000 2.349 258 D HA 0.138 4.778 4.640 -0.000 0.000 0.224 258 D C 1.171 177.385 176.300 -0.143 0.000 1.029 258 D CA 0.853 54.760 54.000 -0.154 0.000 0.879 258 D CB 0.044 40.729 40.800 -0.191 0.000 0.906 258 D HN 0.469 nan 8.370 nan 0.000 0.528 259 S N -0.386 115.237 115.700 -0.128 0.000 2.546 259 S HA 0.331 4.801 4.470 -0.000 0.000 0.290 259 S C 1.555 176.037 174.600 -0.196 0.000 1.290 259 S CA 0.292 58.395 58.200 -0.162 0.000 1.069 259 S CB 1.332 64.452 63.200 -0.133 0.000 0.846 259 S HN 0.420 nan 8.310 nan 0.000 0.495 260 G N 2.193 110.875 108.800 -0.197 0.000 2.279 260 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.223 260 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.223 260 G C 0.328 175.184 174.900 -0.073 0.000 1.015 260 G CA -0.056 44.945 45.100 -0.165 0.000 0.621 260 G HN 1.515 nan 8.290 nan 0.000 0.506 261 S N 2.726 118.388 115.700 -0.063 0.000 2.573 261 S HA 0.444 4.914 4.470 -0.000 0.000 0.297 261 S C -1.451 173.191 174.600 0.071 0.000 1.280 261 S CA 0.119 58.316 58.200 -0.005 0.000 1.061 261 S CB 1.210 64.404 63.200 -0.009 0.000 0.812 261 S HN 0.608 nan 8.310 nan 0.000 0.500 262 P HA 0.274 nan 4.420 nan 0.000 0.272 262 P C -0.908 176.351 177.300 -0.067 0.000 1.223 262 P CA -0.609 62.429 63.100 -0.103 0.000 0.784 262 P CB 0.572 32.119 31.700 -0.255 0.000 0.923 263 L N 2.985 124.067 121.223 -0.235 0.000 2.343 263 L HA 0.515 4.855 4.340 -0.000 0.000 0.278 263 L C -1.161 175.543 176.870 -0.277 0.000 0.996 263 L CA -0.528 54.177 54.840 -0.226 0.000 0.831 263 L CB 0.457 42.186 42.059 -0.549 0.000 1.232 263 L HN 0.136 nan 8.230 nan 0.000 0.413 264 F N 3.597 123.666 119.950 0.200 0.000 2.470 264 F HA 0.855 5.382 4.527 -0.000 0.000 0.329 264 F C 0.480 176.477 175.800 0.327 0.000 1.072 264 F CA -0.379 57.797 58.000 0.295 0.000 0.989 264 F CB 1.943 41.187 39.000 0.406 0.000 1.193 264 F HN 0.586 nan 8.300 nan 0.000 0.481 265 A N 2.039 125.098 122.820 0.399 0.000 2.414 265 A HA 0.651 4.971 4.320 -0.000 0.000 0.306 265 A C -1.772 175.711 177.584 -0.167 0.000 1.054 265 A CA -0.589 51.365 52.037 -0.139 0.000 0.724 265 A CB 0.852 19.508 19.000 -0.574 0.000 1.267 265 A HN 0.632 nan 8.150 nan 0.000 0.418 266 F N 2.101 121.490 119.950 -0.934 0.000 2.438 266 F HA 0.440 4.967 4.527 -0.000 0.000 0.356 266 F C -0.042 175.499 175.800 -0.432 0.000 1.099 266 F CA -0.067 57.262 58.000 -1.119 0.000 1.185 266 F CB 0.842 38.861 39.000 -1.635 0.000 1.115 266 F HN 0.539 nan 8.300 nan 0.000 0.526 267 D N 4.214 123.999 120.400 -1.024 0.000 2.392 267 D HA 0.124 4.764 4.640 -0.000 0.000 0.228 267 D C 0.866 176.643 176.300 -0.872 0.000 1.074 267 D CA -0.196 53.420 54.000 -0.639 0.000 0.838 267 D CB 1.398 42.038 40.800 -0.267 0.000 1.067 267 D HN 0.679 nan 8.370 nan 0.000 0.511 268 T N 0.108 114.317 114.554 -0.575 0.000 3.043 268 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 268 T C 1.947 176.494 174.700 -0.255 0.000 1.094 268 T CA 0.370 62.279 62.100 -0.319 0.000 1.127 268 T CB -0.076 68.732 68.868 -0.099 0.000 0.905 268 T HN 0.176 nan 8.240 nan 0.000 0.490 269 V N 1.760 121.499 119.914 -0.292 0.000 2.407 269 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 269 V C 2.701 178.691 176.094 -0.172 0.000 1.055 269 V CA 1.833 64.010 62.300 -0.205 0.000 1.049 269 V CB -0.582 31.116 31.823 -0.208 0.000 0.662 269 V HN 0.572 nan 8.190 nan 0.000 0.455 270 Q N -1.263 118.401 119.800 -0.227 0.000 2.378 270 Q HA 0.142 4.482 4.340 -0.000 0.000 0.216 270 Q C 0.866 176.752 176.000 -0.191 0.000 0.892 270 Q CA 0.177 55.875 55.803 -0.175 0.000 0.931 270 Q CB 0.254 28.899 28.738 -0.155 0.000 1.086 270 Q HN 0.726 nan 8.270 nan 0.000 0.528 271 N N 1.222 119.736 118.700 -0.309 0.000 2.776 271 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 271 N C -1.093 174.271 175.510 -0.242 0.000 1.111 271 N CA 0.787 53.710 53.050 -0.211 0.000 0.711 271 N CB -0.381 38.110 38.487 0.007 0.000 1.065 271 N HN 0.326 nan 8.380 nan 0.000 0.556 272 K N -1.221 118.829 120.400 -0.584 0.000 2.522 272 K HA 0.377 4.697 4.320 -0.000 0.000 0.275 272 K C -0.974 175.390 176.600 -0.393 0.000 1.006 272 K CA -0.923 55.213 56.287 -0.252 0.000 0.890 272 K CB 0.730 33.218 32.500 -0.020 0.000 1.475 272 K HN 0.017 nan 8.250 nan 0.000 0.441 273 W N 0.721 122.024 121.300 0.006 0.000 2.215 273 W HA 0.509 5.169 4.660 -0.000 0.000 0.342 273 W C -0.323 176.264 176.519 0.113 0.000 1.237 273 W CA -0.093 57.303 57.345 0.084 0.000 1.283 273 W CB 1.424 30.953 29.460 0.115 0.000 1.131 273 W HN 0.209 nan 8.180 nan 0.000 0.606 274 V N 3.041 123.260 119.914 0.508 0.000 2.891 274 V HA 0.223 4.343 4.120 -0.000 0.000 0.304 274 V C -1.230 175.094 176.094 0.383 0.000 1.171 274 V CA -1.209 61.297 62.300 0.343 0.000 0.943 274 V CB 2.024 33.953 31.823 0.178 0.000 1.037 274 V HN 0.310 nan 8.190 nan 0.000 0.427 275 L N 6.124 127.489 121.223 0.236 0.000 2.313 275 L HA 0.404 4.744 4.340 -0.000 0.000 0.282 275 L C 0.921 177.728 176.870 -0.104 0.000 1.092 275 L CA 0.859 55.649 54.840 -0.082 0.000 0.831 275 L CB 1.598 43.584 42.059 -0.122 0.000 1.159 275 L HN 0.650 nan 8.230 nan 0.000 0.442 276 V N 2.865 122.650 119.914 -0.214 0.000 3.125 276 V HA 0.715 4.834 4.120 -0.000 0.000 0.249 276 V C 0.657 176.579 176.094 -0.286 0.000 1.113 276 V CA 0.971 63.078 62.300 -0.322 0.000 1.106 276 V CB -0.146 31.299 31.823 -0.630 0.000 0.768 276 V HN 0.895 nan 8.190 nan 0.000 0.468 277 G N -0.399 108.280 108.800 -0.201 0.000 2.441 277 G HA2 0.541 4.501 3.960 -0.000 0.000 0.294 277 G HA3 0.541 4.501 3.960 -0.000 0.000 0.294 277 G C -1.458 173.517 174.900 0.125 0.000 1.393 277 G CA 0.055 45.129 45.100 -0.044 0.000 0.796 277 G HN 1.231 nan 8.290 nan 0.000 0.494 278 V N -1.792 118.280 119.914 0.263 0.000 2.735 278 V HA 0.828 4.948 4.120 -0.000 0.000 0.310 278 V C -0.109 176.099 176.094 0.191 0.000 1.061 278 V CA -1.131 61.317 62.300 0.247 0.000 0.913 278 V CB 1.520 33.441 31.823 0.163 0.000 1.005 278 V HN 1.020 nan 8.190 nan 0.000 0.428 279 L N 4.332 125.567 121.223 0.020 0.000 2.410 279 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 279 L C 1.487 178.177 176.870 -0.300 0.000 1.144 279 L CA 0.812 55.371 54.840 -0.469 0.000 0.863 279 L CB 1.694 43.446 42.059 -0.511 0.000 1.140 279 L HN 1.105 nan 8.230 nan 0.000 0.463 280 T N 1.289 115.664 114.554 -0.298 0.000 3.034 280 T HA 0.570 4.920 4.350 -0.000 0.000 0.248 280 T C 0.449 175.116 174.700 -0.055 0.000 1.040 280 T CA 0.295 62.341 62.100 -0.091 0.000 1.107 280 T CB 0.365 69.222 68.868 -0.017 0.000 0.932 280 T HN 0.669 nan 8.240 nan 0.000 0.474 281 A N -0.473 122.223 122.820 -0.207 0.000 2.564 281 A HA 0.836 5.156 4.320 -0.000 0.000 0.291 281 A C -0.407 177.022 177.584 -0.259 0.000 1.102 281 A CA -0.436 51.494 52.037 -0.178 0.000 0.660 281 A CB 0.914 19.851 19.000 -0.106 0.000 1.283 281 A HN 0.745 nan 8.150 nan 0.000 0.430 282 G N -1.178 107.510 108.800 -0.186 0.000 2.949 282 G HA2 0.523 4.483 3.960 -0.000 0.000 0.285 282 G HA3 0.523 4.483 3.960 -0.000 0.000 0.285 282 G C -0.752 174.142 174.900 -0.010 0.000 1.395 282 G CA -0.530 44.489 45.100 -0.136 0.000 0.901 282 G HN 0.675 nan 8.290 nan 0.000 0.519 283 N N 0.212 118.981 118.700 0.115 0.000 2.455 283 N HA 0.442 5.182 4.740 -0.000 0.000 0.258 283 N C 0.620 176.166 175.510 0.061 0.000 1.158 283 N CA 0.430 53.513 53.050 0.056 0.000 0.893 283 N CB 0.649 39.152 38.487 0.028 0.000 1.173 283 N HN 1.114 nan 8.380 nan 0.000 0.503 284 G N 0.528 109.371 108.800 0.072 0.000 2.756 284 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.678 284 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.678 284 G C -0.241 174.715 174.900 0.095 0.000 1.349 284 G CA -0.676 44.449 45.100 0.041 0.000 0.847 284 G HN 0.388 nan 8.290 nan 0.000 0.548 285 A N 0.120 122.947 122.820 0.012 0.000 2.553 285 A HA 0.591 4.911 4.320 -0.000 0.000 0.258 285 A C 2.128 179.607 177.584 -0.175 0.000 1.069 285 A CA 2.227 54.212 52.037 -0.086 0.000 0.767 285 A CB -0.651 18.209 19.000 -0.233 0.000 0.997 285 A HN 2.941 nan 8.150 nan 0.000 0.512 286 G N 2.101 110.809 108.800 -0.153 0.000 2.148 286 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.254 286 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.254 286 G C 0.967 175.617 174.900 -0.416 0.000 0.981 286 G CA 0.654 45.565 45.100 -0.314 0.000 0.670 286 G HN 1.896 nan 8.290 nan 0.000 0.528 287 G N -1.057 107.501 108.800 -0.403 0.000 2.647 287 G HA2 0.398 4.358 3.960 -0.000 0.000 0.271 287 G HA3 0.398 4.358 3.960 -0.000 0.000 0.271 287 G C 0.906 175.460 174.900 -0.576 0.000 1.300 287 G CA 0.501 45.415 45.100 -0.309 0.000 0.997 287 G HN 0.505 nan 8.290 nan 0.000 0.533 288 R N -1.023 119.326 120.500 -0.252 0.000 2.140 288 R HA 0.240 4.580 4.340 -0.000 0.000 0.213 288 R C 0.948 177.217 176.300 -0.051 0.000 1.059 288 R CA 0.986 56.979 56.100 -0.179 0.000 1.000 288 R CB 0.009 30.257 30.300 -0.087 0.000 0.910 288 R HN 0.636 nan 8.270 nan 0.000 0.455 289 G N -0.696 108.178 108.800 0.123 0.000 2.660 289 G HA2 0.361 4.321 3.960 -0.000 0.000 0.290 289 G HA3 0.361 4.321 3.960 -0.000 0.000 0.290 289 G C -1.834 173.189 174.900 0.204 0.000 1.432 289 G CA -0.838 44.389 45.100 0.212 0.000 0.807 289 G HN 0.237 nan 8.290 nan 0.000 0.485 290 N N -0.144 118.591 118.700 0.058 0.000 2.328 290 N HA 0.547 5.287 4.740 -0.000 0.000 0.299 290 N C -1.082 174.249 175.510 -0.297 0.000 1.179 290 N CA -0.991 51.872 53.050 -0.312 0.000 0.793 290 N CB 1.731 39.742 38.487 -0.793 0.000 1.366 290 N HN 0.391 nan 8.380 nan 0.000 0.493 291 N N 0.230 118.679 118.700 -0.418 0.000 2.319 291 N HA 0.406 5.146 4.740 -0.000 0.000 0.305 291 N C -1.238 174.062 175.510 -0.350 0.000 1.103 291 N CA -0.352 52.631 53.050 -0.112 0.000 0.815 291 N CB 1.591 40.130 38.487 0.086 0.000 1.288 291 N HN 0.407 nan 8.380 nan 0.000 0.493 292 W N 0.112 121.421 121.300 0.015 0.000 2.702 292 W HA 0.537 5.197 4.660 -0.000 0.000 0.331 292 W C -0.243 176.240 176.519 -0.061 0.000 1.049 292 W CA -0.972 56.351 57.345 -0.037 0.000 1.230 292 W CB 1.833 31.245 29.460 -0.080 0.000 1.408 292 W HN 0.412 nan 8.180 nan 0.000 0.492 293 A N 2.643 125.543 122.820 0.133 0.000 2.454 293 A HA 0.410 4.730 4.320 -0.000 0.000 0.260 293 A C -0.062 177.520 177.584 -0.003 0.000 1.106 293 A CA -0.216 51.842 52.037 0.035 0.000 0.780 293 A CB 0.281 19.311 19.000 0.051 0.000 1.044 293 A HN 0.402 nan 8.150 nan 0.000 0.498 294 V N 3.959 123.818 119.914 -0.092 0.000 2.924 294 V HA 0.031 4.151 4.120 -0.000 0.000 0.305 294 V C 0.729 176.690 176.094 -0.221 0.000 1.073 294 V CA -0.486 61.727 62.300 -0.145 0.000 1.098 294 V CB 0.865 32.624 31.823 -0.107 0.000 1.000 294 V HN 0.656 nan 8.190 nan 0.000 0.484 295 I N 6.035 126.484 120.570 -0.202 0.000 2.587 295 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 295 I C -1.973 173.954 176.117 -0.315 0.000 1.134 295 I CA -1.944 59.188 61.300 -0.279 0.000 1.410 295 I CB 0.355 38.301 38.000 -0.091 0.000 1.392 295 I HN 0.444 nan 8.210 nan 0.000 0.545 296 P HA 0.215 nan 4.420 nan 0.000 0.284 296 P C 0.810 178.022 177.300 -0.146 0.000 1.343 296 P CA -0.340 62.584 63.100 -0.292 0.000 0.826 296 P CB 0.917 32.409 31.700 -0.346 0.000 0.956 297 L N 1.650 122.820 121.223 -0.088 0.000 2.131 297 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 297 L C 1.576 178.402 176.870 -0.074 0.000 1.092 297 L CA 1.495 56.297 54.840 -0.063 0.000 0.759 297 L CB -0.589 41.455 42.059 -0.026 0.000 0.903 297 L HN 0.234 nan 8.230 nan 0.000 0.435 298 D N -0.351 120.023 120.400 -0.044 0.000 2.123 298 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 298 D C 1.877 178.155 176.300 -0.037 0.000 0.976 298 D CA 0.966 54.943 54.000 -0.038 0.000 0.831 298 D CB -0.103 40.693 40.800 -0.008 0.000 0.974 298 D HN 0.195 nan 8.370 nan 0.000 0.469 299 F N 1.604 121.459 119.950 -0.157 0.000 2.146 299 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 299 F C 2.094 177.760 175.800 -0.224 0.000 1.096 299 F CA 1.042 58.958 58.000 -0.140 0.000 1.275 299 F CB -0.161 38.781 39.000 -0.097 0.000 1.008 299 F HN -0.047 nan 8.300 nan 0.000 0.480 300 I N -1.061 119.348 120.570 -0.268 0.000 2.226 300 I HA -0.060 4.110 4.170 -0.000 0.000 0.245 300 I C 2.435 177.867 176.117 -1.141 0.000 1.100 300 I CA 1.775 62.657 61.300 -0.698 0.000 1.374 300 I CB -1.730 35.994 38.000 -0.460 0.000 1.057 300 I HN 0.148 nan 8.210 nan 0.000 0.413 301 G N 1.029 109.459 108.800 -0.617 0.000 2.440 301 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 301 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 301 G C 1.574 176.255 174.900 -0.365 0.000 1.154 301 G CA 1.031 45.885 45.100 -0.411 0.000 0.767 301 G HN 0.657 nan 8.290 nan 0.000 0.552 302 Q N 0.204 119.782 119.800 -0.371 0.000 2.046 302 Q HA -0.017 4.323 4.340 -0.000 0.000 0.200 302 Q C 2.522 178.303 176.000 -0.366 0.000 0.975 302 Q CA 1.046 56.669 55.803 -0.299 0.000 0.836 302 Q CB -0.171 28.421 28.738 -0.243 0.000 0.896 302 Q HN 0.185 nan 8.270 nan 0.000 0.428 303 K N 0.761 120.795 120.400 -0.610 0.000 2.113 303 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 303 K C 1.894 178.324 176.600 -0.283 0.000 1.047 303 K CA 1.400 57.375 56.287 -0.520 0.000 0.928 303 K CB -0.377 31.704 32.500 -0.698 0.000 0.716 303 K HN 0.317 nan 8.250 nan 0.000 0.446 304 F N 1.486 121.179 119.950 -0.428 0.000 2.118 304 F HA -0.101 4.426 4.527 -0.000 0.000 0.293 304 F C 2.167 177.883 175.800 -0.140 0.000 1.102 304 F CA 0.089 57.867 58.000 -0.370 0.000 1.247 304 F CB -0.346 38.460 39.000 -0.324 0.000 1.017 304 F HN 0.025 nan 8.300 nan 0.000 0.475 305 N N 1.001 119.736 118.700 0.059 0.000 2.094 305 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 305 N C 1.653 177.169 175.510 0.010 0.000 1.023 305 N CA 1.831 54.894 53.050 0.022 0.000 0.857 305 N CB -0.770 37.707 38.487 -0.017 0.000 1.013 305 N HN 0.540 nan 8.380 nan 0.000 0.426 306 E N 0.465 120.655 120.200 -0.017 0.000 2.153 306 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 306 E C 0.368 176.979 176.600 0.019 0.000 0.988 306 E CA 1.204 57.596 56.400 -0.014 0.000 0.811 306 E CB -0.168 29.508 29.700 -0.041 0.000 0.746 306 E HN 0.213 nan 8.360 nan 0.000 0.466 307 D N 0.843 121.285 120.400 0.069 0.000 2.363 307 D HA 0.008 4.648 4.640 -0.000 0.000 0.220 307 D C -0.145 176.195 176.300 0.066 0.000 0.994 307 D CA 0.337 54.394 54.000 0.094 0.000 0.890 307 D CB -0.137 40.776 40.800 0.189 0.000 0.906 307 D HN 0.102 nan 8.370 nan 0.000 0.530 308 N N 1.950 120.677 118.700 0.045 0.000 2.419 308 N HA 0.057 4.797 4.740 -0.000 0.000 0.264 308 N C 0.072 175.588 175.510 0.010 0.000 1.031 308 N CA -0.094 52.966 53.050 0.016 0.000 0.951 308 N CB 1.223 39.710 38.487 -0.000 0.000 1.101 308 N HN -0.047 nan 8.380 nan 0.000 0.488 309 D N 0.416 120.824 120.400 0.013 0.000 2.393 309 D HA 0.205 4.845 4.640 -0.000 0.000 0.246 309 D C 0.268 176.560 176.300 -0.012 0.000 1.275 309 D CA -0.084 53.940 54.000 0.040 0.000 0.979 309 D CB 0.795 41.648 40.800 0.088 0.000 1.101 309 D HN 0.490 nan 8.370 nan 0.000 0.505 310 A N 0.909 123.739 122.820 0.016 0.000 2.351 310 A HA 0.390 4.710 4.320 -0.000 0.000 0.257 310 A C -2.114 175.440 177.584 -0.049 0.000 1.087 310 A CA -0.937 51.106 52.037 0.010 0.000 0.798 310 A CB -0.220 18.820 19.000 0.067 0.000 1.033 310 A HN 0.342 nan 8.150 nan 0.000 0.488 311 P HA 0.183 nan 4.420 nan 0.000 0.267 311 P C -0.717 176.433 177.300 -0.250 0.000 1.205 311 P CA 0.110 63.120 63.100 -0.150 0.000 0.765 311 P CB 0.505 32.159 31.700 -0.077 0.000 0.828 312 V N 4.329 123.946 119.914 -0.496 0.000 2.406 312 V HA 0.238 4.358 4.120 -0.000 0.000 0.272 312 V C 0.664 176.524 176.094 -0.390 0.000 1.043 312 V CA 0.154 61.940 62.300 -0.857 0.000 0.915 312 V CB 0.946 32.268 31.823 -0.836 0.000 0.988 312 V HN 0.549 nan 8.190 nan 0.000 0.466 313 T N 6.029 120.393 114.554 -0.317 0.000 2.833 313 T HA 0.390 4.740 4.350 -0.000 0.000 0.297 313 T C -0.493 174.321 174.700 0.191 0.000 1.015 313 T CA -0.211 61.933 62.100 0.073 0.000 0.963 313 T CB 0.543 69.485 68.868 0.124 0.000 0.955 313 T HN 0.423 nan 8.240 nan 0.000 0.449 314 F N 4.174 124.216 119.950 0.153 0.000 2.543 314 F HA 0.366 4.893 4.527 -0.000 0.000 0.375 314 F C 0.617 176.459 175.800 0.069 0.000 1.075 314 F CA -0.242 57.823 58.000 0.107 0.000 1.225 314 F CB 0.370 39.368 39.000 -0.003 0.000 1.099 314 F HN 0.394 nan 8.300 nan 0.000 0.561 315 R N 3.850 124.155 120.500 -0.325 0.000 2.437 315 R HA 0.218 4.558 4.340 -0.000 0.000 0.310 315 R C 1.251 177.339 176.300 -0.353 0.000 0.955 315 R CA 0.039 56.045 56.100 -0.156 0.000 0.851 315 R CB 1.444 31.698 30.300 -0.075 0.000 1.161 315 R HN 0.829 nan 8.270 nan 0.000 0.446 316 T N -0.688 113.885 114.554 0.032 0.000 2.620 316 T HA -0.325 4.025 4.350 -0.000 0.000 0.267 316 T C 2.037 176.721 174.700 -0.027 0.000 1.044 316 T CA 2.170 64.338 62.100 0.114 0.000 1.161 316 T CB -0.479 68.484 68.868 0.158 0.000 0.862 316 T HN 0.595 nan 8.240 nan 0.000 0.438 317 S N 2.016 117.698 115.700 -0.030 0.000 2.365 317 S HA -0.261 4.209 4.470 -0.000 0.000 0.221 317 S C 2.048 176.609 174.600 -0.065 0.000 1.037 317 S CA 1.540 59.720 58.200 -0.034 0.000 1.060 317 S CB -1.041 62.146 63.200 -0.021 0.000 0.974 317 S HN 0.568 nan 8.310 nan 0.000 0.427 318 E N 2.150 122.287 120.200 -0.105 0.000 2.352 318 E HA -0.013 4.337 4.350 -0.000 0.000 0.203 318 E C 1.201 177.722 176.600 -0.132 0.000 1.024 318 E CA 1.028 57.354 56.400 -0.124 0.000 0.842 318 E CB -0.642 28.966 29.700 -0.153 0.000 0.753 318 E HN 0.755 nan 8.360 nan 0.000 0.508 319 G N -1.692 107.025 108.800 -0.139 0.000 2.250 319 G HA2 0.002 3.962 3.960 -0.000 0.000 0.252 319 G HA3 0.002 3.962 3.960 -0.000 0.000 0.252 319 G C 0.259 175.146 174.900 -0.021 0.000 1.325 319 G CA -0.350 44.710 45.100 -0.065 0.000 1.091 319 G HN 0.369 nan 8.290 nan 0.000 0.476 320 G N 0.052 108.876 108.800 0.041 0.000 2.514 320 G HA2 0.655 4.615 3.960 -0.000 0.000 0.245 320 G HA3 0.655 4.615 3.960 -0.000 0.000 0.245 320 G C 1.081 176.116 174.900 0.226 0.000 1.488 320 G CA 1.020 46.203 45.100 0.138 0.000 1.063 320 G HN 2.100 nan 8.290 nan 0.000 0.557 321 A N -1.313 121.655 122.820 0.246 0.000 2.547 321 A HA 0.348 4.668 4.320 -0.000 0.000 0.233 321 A C 0.305 178.056 177.584 0.277 0.000 1.067 321 A CA 0.037 52.259 52.037 0.309 0.000 0.763 321 A CB -0.207 18.894 19.000 0.167 0.000 1.007 321 A HN 0.496 nan 8.150 nan 0.000 0.506 322 L N 2.264 123.695 121.223 0.348 0.000 2.313 322 L HA 0.228 4.568 4.340 -0.000 0.000 0.282 322 L C 0.220 177.236 176.870 0.242 0.000 1.092 322 L CA -0.126 54.878 54.840 0.273 0.000 0.831 322 L CB 0.547 42.802 42.059 0.326 0.000 1.159 322 L HN 0.639 nan 8.230 nan 0.000 0.442 323 E N 2.856 123.185 120.200 0.216 0.000 2.175 323 E HA 0.177 4.527 4.350 -0.000 0.000 0.278 323 E C -1.262 175.537 176.600 0.332 0.000 0.969 323 E CA -0.435 56.105 56.400 0.234 0.000 0.796 323 E CB 2.228 32.029 29.700 0.167 0.000 1.104 323 E HN 0.393 nan 8.360 nan 0.000 0.395 324 W N 3.693 125.070 121.300 0.129 0.000 2.336 324 W HA 0.233 4.893 4.660 -0.000 0.000 0.315 324 W C -0.692 175.922 176.519 0.159 0.000 1.016 324 W CA -1.184 56.257 57.345 0.160 0.000 1.318 324 W CB 0.679 30.235 29.460 0.161 0.000 1.247 324 W HN 0.300 nan 8.180 nan 0.000 0.414 325 S N 4.426 120.448 115.700 0.537 0.000 2.638 325 S HA 0.857 5.327 4.470 -0.000 0.000 0.298 325 S C -1.231 173.657 174.600 0.480 0.000 1.111 325 S CA -0.637 57.779 58.200 0.360 0.000 1.027 325 S CB 2.752 66.090 63.200 0.229 0.000 1.064 325 S HN 0.408 nan 8.310 nan 0.000 0.525 326 F N 1.475 121.500 119.950 0.125 0.000 2.639 326 F HA 0.384 4.911 4.527 -0.000 0.000 0.326 326 F C -1.397 174.431 175.800 0.047 0.000 1.150 326 F CA -0.596 57.462 58.000 0.096 0.000 1.057 326 F CB 1.454 40.470 39.000 0.027 0.000 1.300 326 F HN 0.704 nan 8.300 nan 0.000 0.486 327 N N 3.169 121.475 118.700 -0.656 0.000 2.527 327 N HA 0.106 4.846 4.740 -0.000 0.000 0.236 327 N C 0.628 175.702 175.510 -0.726 0.000 0.999 327 N CA 0.425 53.191 53.050 -0.473 0.000 0.935 327 N CB 1.511 39.833 38.487 -0.275 0.000 1.132 327 N HN 0.688 nan 8.380 nan 0.000 0.511 328 S N 1.456 116.926 115.700 -0.383 0.000 2.537 328 S HA -0.155 4.315 4.470 -0.000 0.000 0.240 328 S C 1.624 176.156 174.600 -0.114 0.000 0.981 328 S CA 1.130 59.240 58.200 -0.150 0.000 0.948 328 S CB -0.239 63.041 63.200 0.134 0.000 0.759 328 S HN 0.554 nan 8.310 nan 0.000 0.531 329 S N 1.310 116.927 115.700 -0.139 0.000 2.486 329 S HA -0.011 4.459 4.470 -0.000 0.000 0.220 329 S C 1.765 176.316 174.600 -0.082 0.000 1.011 329 S CA 0.668 58.822 58.200 -0.077 0.000 0.921 329 S CB -0.693 62.476 63.200 -0.052 0.000 0.785 329 S HN 0.731 nan 8.310 nan 0.000 0.517 330 T N -3.247 111.225 114.554 -0.136 0.000 3.022 330 T HA 0.481 4.831 4.350 -0.000 0.000 0.250 330 T C 1.593 176.238 174.700 -0.092 0.000 1.060 330 T CA 0.656 62.698 62.100 -0.096 0.000 1.013 330 T CB -0.142 68.671 68.868 -0.091 0.000 0.982 330 T HN 1.210 nan 8.240 nan 0.000 0.508 331 G N 1.280 109.958 108.800 -0.203 0.000 2.153 331 G HA2 0.047 4.007 3.960 -0.000 0.000 0.252 331 G HA3 0.047 4.007 3.960 -0.000 0.000 0.252 331 G C 0.170 175.027 174.900 -0.070 0.000 0.994 331 G CA 0.001 45.054 45.100 -0.078 0.000 0.698 331 G HN 1.216 nan 8.290 nan 0.000 0.521 332 A N -1.117 121.530 122.820 -0.288 0.000 2.354 332 A HA 1.111 5.431 4.320 -0.000 0.000 0.321 332 A C 0.574 178.070 177.584 -0.146 0.000 1.125 332 A CA 0.216 52.183 52.037 -0.116 0.000 0.799 332 A CB 1.965 20.930 19.000 -0.058 0.000 1.293 332 A HN 2.039 nan 8.150 nan 0.000 0.452 333 G N -1.612 107.229 108.800 0.069 0.000 2.488 333 G HA2 0.814 4.774 3.960 -0.000 0.000 0.301 333 G HA3 0.814 4.774 3.960 -0.000 0.000 0.301 333 G C -1.074 173.942 174.900 0.193 0.000 1.339 333 G CA 0.315 45.577 45.100 0.271 0.000 0.803 333 G HN 2.175 nan 8.290 nan 0.000 0.482 334 A N -1.203 121.784 122.820 0.279 0.000 2.599 334 A HA 0.774 5.094 4.320 -0.000 0.000 0.294 334 A C -2.216 175.458 177.584 0.150 0.000 1.055 334 A CA -0.477 51.646 52.037 0.143 0.000 0.683 334 A CB 1.585 20.650 19.000 0.108 0.000 1.278 334 A HN 1.314 nan 8.150 nan 0.000 0.412 335 L N 1.065 122.337 121.223 0.082 0.000 2.439 335 L HA 0.699 5.039 4.340 -0.000 0.000 0.270 335 L C -0.445 176.539 176.870 0.190 0.000 0.972 335 L CA 0.153 55.045 54.840 0.088 0.000 0.836 335 L CB 2.497 44.520 42.059 -0.062 0.000 1.255 335 L HN 0.748 nan 8.230 nan 0.000 0.404 336 T N 2.565 117.219 114.554 0.167 0.000 2.879 336 T HA 0.535 4.885 4.350 -0.000 0.000 0.290 336 T C -0.957 173.811 174.700 0.113 0.000 0.993 336 T CA -0.607 61.563 62.100 0.115 0.000 0.975 336 T CB 1.670 70.586 68.868 0.081 0.000 0.981 336 T HN 0.525 nan 8.240 nan 0.000 0.439 337 Q N 2.730 122.576 119.800 0.076 0.000 2.309 337 Q HA 0.563 4.903 4.340 -0.000 0.000 0.270 337 Q C 0.649 176.634 176.000 -0.024 0.000 1.023 337 Q CA -0.282 55.532 55.803 0.019 0.000 0.758 337 Q CB 1.181 29.888 28.738 -0.052 0.000 1.247 337 Q HN 0.904 nan 8.270 nan 0.000 0.455 338 G N 2.371 111.161 108.800 -0.017 0.000 2.565 338 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.295 338 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.295 338 G C 0.715 175.599 174.900 -0.027 0.000 1.165 338 G CA 0.589 45.673 45.100 -0.026 0.000 0.977 338 G HN 0.635 nan 8.290 nan 0.000 0.546 339 T N 1.217 115.746 114.554 -0.041 0.000 2.904 339 T HA 0.214 4.564 4.350 -0.000 0.000 0.267 339 T C 1.277 175.934 174.700 -0.071 0.000 1.059 339 T CA 2.208 64.280 62.100 -0.048 0.000 1.137 339 T CB -0.357 68.482 68.868 -0.049 0.000 0.879 339 T HN 0.641 nan 8.240 nan 0.000 0.467 340 T N 1.754 116.251 114.554 -0.095 0.000 2.837 340 T HA 0.499 4.849 4.350 -0.000 0.000 0.285 340 T C -0.166 174.408 174.700 -0.211 0.000 0.984 340 T CA -0.497 61.493 62.100 -0.183 0.000 1.049 340 T CB 1.565 70.294 68.868 -0.233 0.000 0.947 340 T HN 0.215 nan 8.240 nan 0.000 0.472 341 T N 2.171 116.553 114.554 -0.287 0.000 2.887 341 T HA 0.691 5.041 4.350 -0.000 0.000 0.288 341 T C -1.557 172.903 174.700 -0.400 0.000 1.021 341 T CA -0.612 61.361 62.100 -0.212 0.000 1.000 341 T CB 0.723 69.546 68.868 -0.075 0.000 1.034 341 T HN 0.452 nan 8.240 nan 0.000 0.467 342 Y N 1.214 121.501 120.300 -0.021 0.000 2.446 342 Y HA 0.683 5.233 4.550 -0.000 0.000 0.345 342 Y C 0.630 176.496 175.900 -0.057 0.000 0.984 342 Y CA -1.058 57.017 58.100 -0.042 0.000 1.058 342 Y CB 1.952 40.372 38.460 -0.066 0.000 1.220 342 Y HN 0.983 nan 8.280 nan 0.000 0.455 343 A N 4.564 127.444 122.820 0.101 0.000 2.371 343 A HA 0.713 5.033 4.320 -0.000 0.000 0.257 343 A C -0.387 177.160 177.584 -0.062 0.000 1.089 343 A CA -0.341 51.697 52.037 0.000 0.000 0.794 343 A CB 0.624 19.661 19.000 0.062 0.000 1.029 343 A HN 0.739 nan 8.150 nan 0.000 0.488 344 M N 1.978 121.442 119.600 -0.227 0.000 2.413 344 M HA 0.466 4.946 4.480 -0.000 0.000 0.287 344 M C -2.172 173.985 176.300 -0.238 0.000 1.186 344 M CA -0.273 54.979 55.300 -0.079 0.000 0.927 344 M CB 1.829 34.508 32.600 0.132 0.000 1.715 344 M HN 0.932 nan 8.290 nan 0.000 0.478 345 H N 1.228 120.451 119.070 0.255 0.000 2.768 345 H HA 0.849 5.405 4.556 -0.000 0.000 0.371 345 H C -0.052 175.455 175.328 0.298 0.000 1.151 345 H CA -0.188 56.014 56.048 0.258 0.000 1.165 345 H CB 2.267 32.120 29.762 0.152 0.000 1.722 345 H HN 0.918 nan 8.280 nan 0.000 0.543 346 G N 0.004 109.081 108.800 0.462 0.000 3.086 346 G HA2 0.271 4.231 3.960 -0.000 0.000 0.282 346 G HA3 0.271 4.231 3.960 -0.000 0.000 0.282 346 G C -1.018 174.042 174.900 0.268 0.000 1.343 346 G CA -0.997 44.312 45.100 0.348 0.000 0.895 346 G HN 0.620 nan 8.290 nan 0.000 0.557 347 Q N -0.332 119.579 119.800 0.185 0.000 2.310 347 Q HA 0.113 4.453 4.340 -0.000 0.000 0.315 347 Q C -0.511 175.580 176.000 0.152 0.000 1.081 347 Q CA 0.880 56.758 55.803 0.125 0.000 0.981 347 Q CB 0.231 29.003 28.738 0.058 0.000 1.184 347 Q HN 0.381 nan 8.270 nan 0.000 0.389 348 Q N 2.825 122.678 119.800 0.089 0.000 2.363 348 Q HA 0.427 4.767 4.340 -0.000 0.000 0.265 348 Q C 0.095 176.117 176.000 0.036 0.000 1.032 348 Q CA 0.017 55.855 55.803 0.059 0.000 0.746 348 Q CB 1.762 30.530 28.738 0.050 0.000 1.237 348 Q HN 1.028 nan 8.270 nan 0.000 0.475 349 G N 3.061 111.879 108.800 0.029 0.000 2.527 349 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 349 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 349 G C 0.123 175.030 174.900 0.012 0.000 1.175 349 G CA 0.246 45.355 45.100 0.016 0.000 0.962 349 G HN 0.772 nan 8.290 nan 0.000 0.560 350 N N 1.392 120.094 118.700 0.004 0.000 2.434 350 N HA 0.260 5.000 4.740 -0.000 0.000 0.196 350 N C -0.174 175.333 175.510 -0.005 0.000 1.183 350 N CA 0.494 53.542 53.050 -0.004 0.000 0.849 350 N CB 0.302 38.784 38.487 -0.008 0.000 0.992 350 N HN 0.487 nan 8.380 nan 0.000 0.460 351 D N 1.088 121.490 120.400 0.003 0.000 2.479 351 D HA 0.105 4.745 4.640 -0.000 0.000 0.218 351 D C 0.993 177.298 176.300 0.008 0.000 1.131 351 D CA -0.344 53.658 54.000 0.004 0.000 0.916 351 D CB 0.418 41.224 40.800 0.011 0.000 1.022 351 D HN 0.117 nan 8.370 nan 0.000 0.515 352 L N 2.372 123.590 121.223 -0.008 0.000 2.217 352 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 352 L C 1.877 178.748 176.870 0.001 0.000 1.107 352 L CA 0.344 55.176 54.840 -0.012 0.000 0.783 352 L CB -0.508 41.528 42.059 -0.039 0.000 0.919 352 L HN 0.271 nan 8.230 nan 0.000 0.442 353 N N 1.118 119.818 118.700 0.000 0.000 2.381 353 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 353 N C 1.822 177.346 175.510 0.024 0.000 1.025 353 N CA 1.049 54.103 53.050 0.007 0.000 0.888 353 N CB 0.043 38.531 38.487 0.002 0.000 0.965 353 N HN 0.304 nan 8.380 nan 0.000 0.438 354 A N -0.255 122.586 122.820 0.034 0.000 2.024 354 A HA 0.108 4.428 4.320 -0.000 0.000 0.220 354 A C 1.346 178.987 177.584 0.095 0.000 1.164 354 A CA 1.073 53.142 52.037 0.054 0.000 0.643 354 A CB -1.088 17.951 19.000 0.065 0.000 0.806 354 A HN 0.346 nan 8.150 nan 0.000 0.451 355 G N -0.202 108.658 108.800 0.100 0.000 2.483 355 G HA2 0.451 4.411 3.960 -0.000 0.000 0.248 355 G HA3 0.451 4.411 3.960 -0.000 0.000 0.248 355 G C -0.133 174.846 174.900 0.130 0.000 1.248 355 G CA -0.449 44.740 45.100 0.149 0.000 0.838 355 G HN 0.402 nan 8.290 nan 0.000 0.566 356 K N 0.882 121.389 120.400 0.180 0.000 2.295 356 K HA 0.294 4.614 4.320 -0.000 0.000 0.239 356 K C -0.383 176.292 176.600 0.126 0.000 0.991 356 K CA -0.961 55.406 56.287 0.132 0.000 0.845 356 K CB 1.428 34.008 32.500 0.134 0.000 1.197 356 K HN 0.426 nan 8.250 nan 0.000 0.441 357 N N 0.928 119.673 118.700 0.074 0.000 2.445 357 N HA 0.395 5.135 4.740 -0.000 0.000 0.264 357 N C -0.533 174.945 175.510 -0.053 0.000 1.227 357 N CA -0.179 52.892 53.050 0.035 0.000 0.963 357 N CB 0.623 39.119 38.487 0.015 0.000 1.188 357 N HN 0.320 nan 8.380 nan 0.000 0.491 358 L N 0.945 122.062 121.223 -0.175 0.000 2.401 358 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 358 L C -0.572 175.903 176.870 -0.657 0.000 0.991 358 L CA -0.617 53.929 54.840 -0.489 0.000 0.818 358 L CB 2.083 43.677 42.059 -0.775 0.000 1.321 358 L HN 0.288 nan 8.230 nan 0.000 0.413 359 I N 2.120 122.267 120.570 -0.705 0.000 2.389 359 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 359 I C -1.158 174.531 176.117 -0.713 0.000 0.999 359 I CA -0.275 60.689 61.300 -0.559 0.000 1.129 359 I CB 1.607 39.433 38.000 -0.290 0.000 1.288 359 I HN 0.349 nan 8.210 nan 0.000 0.444 360 F N 5.776 125.437 119.950 -0.482 0.000 2.426 360 F HA 0.402 4.929 4.527 -0.000 0.000 0.348 360 F C 0.471 176.133 175.800 -0.230 0.000 1.124 360 F CA -0.468 57.235 58.000 -0.495 0.000 1.008 360 F CB 1.472 39.867 39.000 -1.007 0.000 1.139 360 F HN 0.485 nan 8.300 nan 0.000 0.452 361 Q N 2.465 122.369 119.800 0.173 0.000 3.146 361 Q HA 0.815 5.155 4.340 -0.000 0.000 0.318 361 Q C -0.291 175.947 176.000 0.396 0.000 0.992 361 Q CA -1.097 54.870 55.803 0.273 0.000 0.809 361 Q CB 1.997 30.814 28.738 0.132 0.000 1.490 361 Q HN 0.872 nan 8.270 nan 0.000 0.493 362 G N 1.179 110.142 108.800 0.273 0.000 2.981 362 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 362 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 362 G C -1.187 173.817 174.900 0.174 0.000 1.068 362 G CA -0.239 45.003 45.100 0.237 0.000 0.806 362 G HN 0.546 nan 8.290 nan 0.000 0.568 363 Q N 0.938 120.795 119.800 0.095 0.000 2.327 363 Q HA 0.513 4.853 4.340 -0.000 0.000 0.254 363 Q C 0.943 176.859 176.000 -0.141 0.000 0.952 363 Q CA 0.281 56.089 55.803 0.007 0.000 0.884 363 Q CB 0.336 29.088 28.738 0.025 0.000 1.224 363 Q HN 0.899 nan 8.270 nan 0.000 0.422 364 N N -0.484 118.074 118.700 -0.237 0.000 2.738 364 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 364 N C -0.121 174.880 175.510 -0.849 0.000 1.047 364 N CA 0.307 53.128 53.050 -0.382 0.000 0.707 364 N CB -1.196 37.160 38.487 -0.217 0.000 0.937 364 N HN 0.790 nan 8.380 nan 0.000 0.545 365 G N -0.276 107.701 108.800 -1.372 0.000 2.594 365 G HA2 0.340 4.300 3.960 -0.000 0.000 0.243 365 G HA3 0.340 4.300 3.960 -0.000 0.000 0.243 365 G C -0.100 173.881 174.900 -1.532 0.000 1.229 365 G CA -0.172 43.607 45.100 -2.202 0.000 0.843 365 G HN 0.128 nan 8.290 nan 0.000 0.578 366 Q N -0.620 118.411 119.800 -1.281 0.000 2.413 366 Q HA 0.605 4.945 4.340 -0.000 0.000 0.276 366 Q C -0.848 175.154 176.000 0.005 0.000 1.099 366 Q CA -0.530 55.029 55.803 -0.408 0.000 0.814 366 Q CB 2.901 31.505 28.738 -0.224 0.000 1.379 366 Q HN 0.492 nan 8.270 nan 0.000 0.436 367 I N 1.239 121.851 120.570 0.070 0.000 2.722 367 I HA 0.307 4.477 4.170 -0.000 0.000 0.295 367 I C -0.909 175.284 176.117 0.127 0.000 1.161 367 I CA -0.719 60.678 61.300 0.160 0.000 1.032 367 I CB 2.503 40.591 38.000 0.146 0.000 1.244 367 I HN 0.461 nan 8.210 nan 0.000 0.421 368 N N 4.917 123.726 118.700 0.182 0.000 2.483 368 N HA 0.446 5.185 4.740 -0.000 0.000 0.267 368 N C -1.309 174.302 175.510 0.169 0.000 0.998 368 N CA -0.486 52.640 53.050 0.127 0.000 0.918 368 N CB 1.191 39.730 38.487 0.087 0.000 1.215 368 N HN 0.431 nan 8.380 nan 0.000 0.500 369 L N 4.147 125.413 121.223 0.072 0.000 2.623 369 L HA 0.117 4.457 4.340 -0.000 0.000 0.281 369 L C 1.631 178.511 176.870 0.017 0.000 1.150 369 L CA 0.495 55.339 54.840 0.007 0.000 0.965 369 L CB 0.107 42.071 42.059 -0.159 0.000 1.303 369 L HN 0.600 nan 8.230 nan 0.000 0.467 370 K N 1.050 121.499 120.400 0.081 0.000 2.103 370 K HA -0.004 4.315 4.320 -0.000 0.000 0.204 370 K C -0.178 176.447 176.600 0.043 0.000 1.052 370 K CA 0.951 57.279 56.287 0.069 0.000 0.945 370 K CB 0.113 32.675 32.500 0.105 0.000 0.722 370 K HN 0.610 nan 8.250 nan 0.000 0.443 371 D N -0.587 119.836 120.400 0.038 0.000 2.433 371 D HA 0.143 4.783 4.640 -0.000 0.000 0.236 371 D C -1.050 175.214 176.300 -0.060 0.000 1.026 371 D CA -0.465 53.553 54.000 0.030 0.000 0.884 371 D CB 1.720 42.593 40.800 0.122 0.000 1.384 371 D HN -0.255 nan 8.370 nan 0.000 0.477 372 S N 0.649 116.325 115.700 -0.041 0.000 2.555 372 S HA 0.141 4.611 4.470 -0.000 0.000 0.293 372 S C -0.172 174.317 174.600 -0.184 0.000 1.248 372 S CA -0.403 57.740 58.200 -0.095 0.000 1.096 372 S CB 0.028 63.204 63.200 -0.040 0.000 0.881 372 S HN 0.193 nan 8.310 nan 0.000 0.498 373 V N 4.492 124.144 119.914 -0.437 0.000 2.439 373 V HA 0.309 4.429 4.120 -0.000 0.000 0.282 373 V C 0.225 175.833 176.094 -0.810 0.000 1.039 373 V CA -0.505 61.246 62.300 -0.914 0.000 0.913 373 V CB 1.789 33.005 31.823 -1.012 0.000 0.983 373 V HN 0.782 nan 8.190 nan 0.000 0.460 374 S N 3.432 118.624 115.700 -0.848 0.000 2.528 374 S HA 0.238 4.708 4.470 -0.000 0.000 0.303 374 S C 0.629 174.955 174.600 -0.457 0.000 1.123 374 S CA -0.340 57.559 58.200 -0.501 0.000 1.138 374 S CB 1.087 64.193 63.200 -0.157 0.000 0.984 374 S HN 0.834 nan 8.310 nan 0.000 0.474 375 Q N 2.651 122.130 119.800 -0.536 0.000 2.403 375 Q HA 0.232 4.572 4.340 -0.000 0.000 0.203 375 Q C 1.401 177.336 176.000 -0.108 0.000 0.932 375 Q CA 0.694 56.361 55.803 -0.228 0.000 0.945 375 Q CB -0.097 28.584 28.738 -0.095 0.000 1.045 375 Q HN 1.016 nan 8.270 nan 0.000 0.511 376 G N 0.536 109.237 108.800 -0.165 0.000 2.596 376 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.304 376 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.304 376 G C 0.599 175.447 174.900 -0.086 0.000 1.189 376 G CA 0.343 45.390 45.100 -0.088 0.000 0.986 376 G HN 0.708 nan 8.290 nan 0.000 0.548 377 A N 1.268 124.065 122.820 -0.038 0.000 2.307 377 A HA 0.625 4.945 4.320 -0.000 0.000 0.218 377 A C 1.485 179.069 177.584 -0.000 0.000 1.228 377 A CA 1.501 53.514 52.037 -0.041 0.000 0.857 377 A CB -0.596 18.374 19.000 -0.050 0.000 0.897 377 A HN 2.090 nan 8.150 nan 0.000 0.495 378 G N 0.420 109.247 108.800 0.046 0.000 2.483 378 G HA2 0.431 4.391 3.960 -0.000 0.000 0.248 378 G HA3 0.431 4.391 3.960 -0.000 0.000 0.248 378 G C 0.222 175.225 174.900 0.172 0.000 1.248 378 G CA 0.570 45.737 45.100 0.110 0.000 0.838 378 G HN 0.657 nan 8.290 nan 0.000 0.566 379 S N 0.429 116.220 115.700 0.152 0.000 2.677 379 S HA 0.785 5.255 4.470 -0.000 0.000 0.304 379 S C -0.614 174.074 174.600 0.146 0.000 1.108 379 S CA -0.976 57.334 58.200 0.184 0.000 0.944 379 S CB 1.802 65.049 63.200 0.079 0.000 1.127 379 S HN 0.506 nan 8.310 nan 0.000 0.511 380 L N 0.985 122.270 121.223 0.103 0.000 2.365 380 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 380 L C -0.581 176.203 176.870 -0.143 0.000 1.000 380 L CA -0.561 54.245 54.840 -0.058 0.000 0.819 380 L CB 2.256 44.304 42.059 -0.018 0.000 1.284 380 L HN 0.696 nan 8.230 nan 0.000 0.418 381 T N 2.209 116.599 114.554 -0.273 0.000 2.824 381 T HA 0.597 4.947 4.350 -0.000 0.000 0.282 381 T C -0.916 173.616 174.700 -0.280 0.000 0.993 381 T CA -0.293 61.707 62.100 -0.166 0.000 0.967 381 T CB 0.998 69.790 68.868 -0.128 0.000 0.960 381 T HN 0.137 nan 8.240 nan 0.000 0.441 382 F N 2.510 122.454 119.950 -0.010 0.000 2.403 382 F HA 0.432 4.959 4.527 -0.000 0.000 0.355 382 F C 1.533 177.332 175.800 -0.002 0.000 1.119 382 F CA -0.854 57.126 58.000 -0.033 0.000 1.007 382 F CB 1.417 40.363 39.000 -0.090 0.000 1.194 382 F HN 0.379 nan 8.300 nan 0.000 0.443 383 R N 0.964 121.556 120.500 0.152 0.000 2.280 383 R HA 0.164 4.504 4.340 -0.000 0.000 0.195 383 R C -0.503 175.893 176.300 0.161 0.000 0.935 383 R CA 0.423 56.596 56.100 0.122 0.000 1.033 383 R CB 0.211 30.555 30.300 0.073 0.000 0.964 383 R HN 0.571 nan 8.270 nan 0.000 0.489 384 D N 0.009 120.560 120.400 0.252 0.000 2.592 384 D HA 0.197 4.837 4.640 -0.000 0.000 0.263 384 D C -0.845 175.660 176.300 0.342 0.000 1.132 384 D CA -0.784 53.364 54.000 0.247 0.000 0.996 384 D CB 0.945 41.877 40.800 0.220 0.000 1.442 384 D HN -0.207 nan 8.370 nan 0.000 0.486 385 N N -0.089 118.726 118.700 0.191 0.000 2.479 385 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 385 N C -0.982 174.616 175.510 0.147 0.000 1.232 385 N CA 0.561 53.681 53.050 0.115 0.000 0.920 385 N CB 0.319 38.808 38.487 0.005 0.000 1.105 385 N HN 0.337 nan 8.380 nan 0.000 0.444 386 Y N -1.133 119.065 120.300 -0.170 0.000 2.624 386 Y HA 0.301 4.851 4.550 -0.000 0.000 0.334 386 Y C -0.510 175.238 175.900 -0.254 0.000 1.155 386 Y CA -0.590 57.380 58.100 -0.218 0.000 1.046 386 Y CB 1.859 40.201 38.460 -0.196 0.000 1.316 386 Y HN 0.305 nan 8.280 nan 0.000 0.457 387 T N 2.439 116.933 114.554 -0.100 0.000 2.841 387 T HA 0.697 5.047 4.350 -0.000 0.000 0.283 387 T C -1.429 173.219 174.700 -0.086 0.000 1.000 387 T CA -0.684 61.351 62.100 -0.109 0.000 0.977 387 T CB 1.415 70.202 68.868 -0.134 0.000 0.979 387 T HN 0.297 nan 8.240 nan 0.000 0.446 388 V N 3.397 123.236 119.914 -0.125 0.000 2.531 388 V HA 0.658 4.778 4.120 -0.000 0.000 0.301 388 V C 0.339 176.290 176.094 -0.238 0.000 1.034 388 V CA -0.924 61.269 62.300 -0.179 0.000 0.865 388 V CB 1.714 33.358 31.823 -0.298 0.000 0.995 388 V HN 1.117 nan 8.190 nan 0.000 0.424 389 T N 0.326 114.782 114.554 -0.163 0.000 2.950 389 T HA 0.799 5.149 4.350 -0.000 0.000 0.288 389 T C -0.290 174.323 174.700 -0.145 0.000 1.035 389 T CA -0.752 61.260 62.100 -0.148 0.000 1.028 389 T CB 2.112 70.931 68.868 -0.080 0.000 1.109 389 T HN 0.717 nan 8.240 nan 0.000 0.514 390 T N -0.553 113.922 114.554 -0.132 0.000 2.933 390 T HA 0.529 4.879 4.350 -0.000 0.000 0.305 390 T C 0.305 174.965 174.700 -0.066 0.000 1.092 390 T CA -0.340 61.705 62.100 -0.092 0.000 1.008 390 T CB 1.379 70.178 68.868 -0.114 0.000 1.102 390 T HN 0.793 nan 8.240 nan 0.000 0.469 391 S N 2.652 118.328 115.700 -0.040 0.000 2.629 391 S HA 0.175 4.645 4.470 -0.000 0.000 0.236 391 S C 0.645 175.229 174.600 -0.027 0.000 1.010 391 S CA -0.500 57.680 58.200 -0.033 0.000 0.981 391 S CB -0.201 62.986 63.200 -0.022 0.000 0.919 391 S HN 0.753 nan 8.310 nan 0.000 0.514 392 N N 1.657 120.341 118.700 -0.028 0.000 2.205 392 N HA 0.360 5.100 4.740 -0.000 0.000 0.201 392 N C 1.029 176.523 175.510 -0.027 0.000 1.128 392 N CA 0.345 53.383 53.050 -0.020 0.000 0.867 392 N CB 0.269 38.749 38.487 -0.012 0.000 0.996 392 N HN 0.414 nan 8.380 nan 0.000 0.503 393 G N 0.370 109.147 108.800 -0.039 0.000 2.283 393 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.280 393 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.280 393 G C -0.218 174.654 174.900 -0.047 0.000 1.029 393 G CA 0.281 45.355 45.100 -0.044 0.000 0.840 393 G HN 0.318 nan 8.290 nan 0.000 0.505 394 S N 0.671 116.336 115.700 -0.058 0.000 2.510 394 S HA 0.534 5.004 4.470 -0.000 0.000 0.279 394 S C 0.953 175.504 174.600 -0.082 0.000 1.284 394 S CA 0.462 58.621 58.200 -0.069 0.000 1.059 394 S CB 0.877 64.027 63.200 -0.084 0.000 0.901 394 S HN 0.978 nan 8.310 nan 0.000 0.491 395 T N 0.886 115.404 114.554 -0.061 0.000 2.948 395 T HA 0.683 5.033 4.350 -0.000 0.000 0.285 395 T C -0.939 173.769 174.700 0.014 0.000 1.019 395 T CA -0.924 61.167 62.100 -0.016 0.000 1.013 395 T CB 1.010 69.877 68.868 -0.002 0.000 1.117 395 T HN 0.706 nan 8.240 nan 0.000 0.533 396 W N 1.497 122.752 121.300 -0.075 0.000 2.957 396 W HA 0.535 5.195 4.660 -0.000 0.000 0.336 396 W C -0.907 175.653 176.519 0.069 0.000 1.087 396 W CA -0.524 56.794 57.345 -0.046 0.000 1.235 396 W CB 1.886 31.374 29.460 0.046 0.000 1.399 396 W HN 1.139 nan 8.180 nan 0.000 0.480 397 T N 2.490 116.605 114.554 -0.733 0.000 2.906 397 T HA 0.950 5.300 4.350 -0.000 0.000 0.295 397 T C -0.364 173.299 174.700 -1.728 0.000 1.061 397 T CA -0.209 61.394 62.100 -0.828 0.000 1.000 397 T CB 1.821 70.475 68.868 -0.356 0.000 1.103 397 T HN 1.127 nan 8.240 nan 0.000 0.486 398 G N -0.484 107.574 108.800 -1.236 0.000 2.428 398 G HA2 0.603 4.563 3.960 -0.000 0.000 0.304 398 G HA3 0.603 4.563 3.960 -0.000 0.000 0.304 398 G C 0.446 175.248 174.900 -0.163 0.000 1.303 398 G CA -0.141 44.501 45.100 -0.763 0.000 0.825 398 G HN 1.089 nan 8.290 nan 0.000 0.484 399 A N -1.541 121.293 122.820 0.022 0.000 2.066 399 A HA 0.587 4.907 4.320 -0.000 0.000 0.218 399 A C 1.544 179.158 177.584 0.051 0.000 1.157 399 A CA 2.156 54.182 52.037 -0.018 0.000 0.670 399 A CB -0.614 18.375 19.000 -0.019 0.000 0.804 399 A HN 2.645 nan 8.150 nan 0.000 0.453 400 G N -2.047 106.915 108.800 0.270 0.000 2.346 400 G HA2 0.285 4.245 3.960 -0.000 0.000 0.294 400 G HA3 0.285 4.245 3.960 -0.000 0.000 0.294 400 G C -1.149 173.866 174.900 0.193 0.000 1.294 400 G CA -0.449 44.817 45.100 0.276 0.000 0.962 400 G HN 0.413 nan 8.290 nan 0.000 0.508 401 I N -0.304 120.287 120.570 0.036 0.000 2.689 401 I HA 0.577 4.747 4.170 -0.000 0.000 0.299 401 I C -0.314 175.802 176.117 -0.002 0.000 1.059 401 I CA -1.289 59.987 61.300 -0.040 0.000 1.055 401 I CB 2.390 40.246 38.000 -0.240 0.000 1.243 401 I HN 0.351 nan 8.210 nan 0.000 0.425 402 V N 5.858 125.795 119.914 0.037 0.000 2.384 402 V HA 0.376 4.496 4.120 -0.000 0.000 0.287 402 V C -0.250 175.902 176.094 0.097 0.000 1.020 402 V CA -0.694 61.629 62.300 0.038 0.000 0.850 402 V CB 1.743 33.576 31.823 0.016 0.000 0.987 402 V HN 0.386 nan 8.190 nan 0.000 0.436 403 V N 3.823 123.773 119.914 0.061 0.000 2.334 403 V HA 0.354 4.474 4.120 -0.000 0.000 0.281 403 V C -0.062 176.062 176.094 0.051 0.000 1.016 403 V CA -0.764 61.584 62.300 0.081 0.000 0.832 403 V CB 1.359 33.190 31.823 0.012 0.000 0.999 403 V HN 0.799 nan 8.190 nan 0.000 0.439 404 D N 3.190 123.629 120.400 0.066 0.000 2.419 404 D HA -0.038 4.602 4.640 -0.000 0.000 0.236 404 D C 0.733 177.053 176.300 0.034 0.000 1.165 404 D CA 0.381 54.407 54.000 0.043 0.000 0.882 404 D CB 0.376 41.206 40.800 0.050 0.000 1.201 404 D HN 0.621 nan 8.370 nan 0.000 0.443 405 N N 0.338 119.052 118.700 0.023 0.000 2.225 405 N HA -0.084 4.656 4.740 -0.000 0.000 0.257 405 N C 0.953 176.477 175.510 0.023 0.000 1.252 405 N CA 1.130 54.192 53.050 0.019 0.000 0.833 405 N CB 0.263 38.759 38.487 0.015 0.000 1.068 405 N HN 0.611 nan 8.380 nan 0.000 0.468 406 G N 1.571 110.381 108.800 0.018 0.000 2.155 406 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 406 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 406 G C -0.191 174.723 174.900 0.025 0.000 0.983 406 G CA 0.409 45.521 45.100 0.019 0.000 0.676 406 G HN 0.541 nan 8.290 nan 0.000 0.528 407 V N 0.421 120.352 119.914 0.027 0.000 2.715 407 V HA 0.800 4.920 4.120 -0.000 0.000 0.310 407 V C 0.205 176.305 176.094 0.010 0.000 1.054 407 V CA -0.158 62.163 62.300 0.036 0.000 0.928 407 V CB 2.138 34.003 31.823 0.070 0.000 1.007 407 V HN 0.472 nan 8.190 nan 0.000 0.437 408 S N 2.403 118.101 115.700 -0.002 0.000 2.526 408 S HA 0.819 5.289 4.470 -0.000 0.000 0.293 408 S C -0.815 173.739 174.600 -0.077 0.000 1.092 408 S CA -0.706 57.472 58.200 -0.036 0.000 0.980 408 S CB 2.019 65.201 63.200 -0.030 0.000 1.048 408 S HN 0.440 nan 8.310 nan 0.000 0.483 409 V N 2.722 122.557 119.914 -0.133 0.000 2.709 409 V HA 0.481 4.601 4.120 -0.000 0.000 0.308 409 V C -0.559 175.457 176.094 -0.130 0.000 1.062 409 V CA -0.858 61.307 62.300 -0.225 0.000 0.901 409 V CB 2.038 33.532 31.823 -0.547 0.000 1.003 409 V HN 0.889 nan 8.190 nan 0.000 0.425 410 N N 4.002 122.644 118.700 -0.096 0.000 2.422 410 N HA 0.216 4.955 4.740 -0.000 0.000 0.266 410 N C -1.293 174.236 175.510 0.032 0.000 1.007 410 N CA -0.409 52.623 53.050 -0.030 0.000 0.941 410 N CB 1.361 39.818 38.487 -0.051 0.000 1.115 410 N HN 0.862 nan 8.380 nan 0.000 0.492 411 W N 5.524 126.736 121.300 -0.147 0.000 2.336 411 W HA 0.274 4.934 4.660 -0.000 0.000 0.315 411 W C -0.713 175.752 176.519 -0.091 0.000 1.016 411 W CA -0.468 56.790 57.345 -0.146 0.000 1.318 411 W CB 0.905 30.282 29.460 -0.139 0.000 1.247 411 W HN 0.547 nan 8.180 nan 0.000 0.414 412 Q N 3.900 123.497 119.800 -0.337 0.000 2.211 412 Q HA 0.149 4.489 4.340 -0.000 0.000 0.231 412 Q C -0.119 175.666 176.000 -0.359 0.000 0.865 412 Q CA -0.095 55.547 55.803 -0.267 0.000 0.997 412 Q CB 1.205 29.835 28.738 -0.181 0.000 1.101 412 Q HN 0.112 nan 8.270 nan 0.000 0.468 413 V N 1.575 121.113 119.914 -0.626 0.000 2.459 413 V HA 0.238 4.358 4.120 -0.000 0.000 0.295 413 V C 0.115 176.143 176.094 -0.109 0.000 1.029 413 V CA -1.132 60.903 62.300 -0.442 0.000 0.874 413 V CB 1.494 32.877 31.823 -0.732 0.000 0.985 413 V HN 0.303 nan 8.190 nan 0.000 0.438 414 N N 2.492 121.166 118.700 -0.044 0.000 2.354 414 N HA 0.359 5.099 4.740 -0.000 0.000 0.246 414 N C 0.562 176.164 175.510 0.153 0.000 1.285 414 N CA 0.389 53.461 53.050 0.038 0.000 0.925 414 N CB 1.201 39.676 38.487 -0.021 0.000 1.174 414 N HN 0.806 nan 8.380 nan 0.000 0.478 415 G N -0.819 108.086 108.800 0.175 0.000 3.227 415 G HA2 0.553 4.513 3.960 -0.000 0.000 0.171 415 G HA3 0.553 4.513 3.960 -0.000 0.000 0.171 415 G C -0.948 174.010 174.900 0.096 0.000 1.463 415 G CA -0.200 45.016 45.100 0.194 0.000 1.016 415 G HN 0.363 nan 8.290 nan 0.000 0.594 416 V N -0.110 119.855 119.914 0.085 0.000 2.817 416 V HA 0.324 4.444 4.120 -0.000 0.000 0.303 416 V C -0.291 175.830 176.094 0.045 0.000 1.151 416 V CA -1.046 61.279 62.300 0.042 0.000 0.929 416 V CB 1.900 33.727 31.823 0.007 0.000 1.030 416 V HN 0.785 nan 8.190 nan 0.000 0.427 417 K N 2.554 122.972 120.400 0.031 0.000 2.504 417 K HA 0.267 4.587 4.320 -0.000 0.000 0.278 417 K C 1.175 177.790 176.600 0.026 0.000 1.025 417 K CA 1.662 57.968 56.287 0.030 0.000 1.093 417 K CB -0.083 32.428 32.500 0.018 0.000 0.873 417 K HN 1.390 nan 8.250 nan 0.000 0.483 418 G N 2.997 111.817 108.800 0.033 0.000 2.175 418 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 418 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 418 G C -0.357 174.557 174.900 0.023 0.000 0.982 418 G CA 0.285 45.399 45.100 0.023 0.000 0.641 418 G HN 0.762 nan 8.290 nan 0.000 0.527 419 D N 0.178 120.602 120.400 0.040 0.000 2.498 419 D HA 0.550 5.190 4.640 -0.000 0.000 0.247 419 D C -0.326 176.033 176.300 0.099 0.000 1.070 419 D CA -0.782 53.245 54.000 0.046 0.000 0.842 419 D CB 0.627 41.440 40.800 0.022 0.000 1.361 419 D HN 0.022 nan 8.370 nan 0.000 0.484 420 N N 2.904 121.676 118.700 0.119 0.000 2.438 420 N HA 0.275 5.015 4.740 -0.000 0.000 0.282 420 N C -0.802 174.870 175.510 0.271 0.000 1.037 420 N CA -0.586 52.567 53.050 0.172 0.000 0.942 420 N CB 1.578 40.157 38.487 0.153 0.000 1.136 420 N HN 0.432 nan 8.380 nan 0.000 0.481 421 L N 3.132 124.497 121.223 0.237 0.000 2.367 421 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 421 L C -0.198 176.815 176.870 0.238 0.000 1.129 421 L CA 0.059 55.063 54.840 0.273 0.000 0.839 421 L CB 0.131 42.337 42.059 0.245 0.000 1.133 421 L HN 0.480 nan 8.230 nan 0.000 0.453 422 H N 5.045 124.136 119.070 0.035 0.000 2.481 422 H HA 0.381 4.937 4.556 -0.000 0.000 0.333 422 H C -0.816 174.495 175.328 -0.028 0.000 1.066 422 H CA -1.044 55.006 56.048 0.004 0.000 1.209 422 H CB 1.657 31.455 29.762 0.060 0.000 1.445 422 H HN 0.409 nan 8.280 nan 0.000 0.488 423 K N 5.076 125.478 120.400 0.002 0.000 2.345 423 K HA 0.405 4.725 4.320 -0.000 0.000 0.255 423 K C -1.007 175.573 176.600 -0.033 0.000 0.934 423 K CA -0.462 55.796 56.287 -0.048 0.000 0.801 423 K CB 1.327 33.756 32.500 -0.117 0.000 1.137 423 K HN 0.773 nan 8.250 nan 0.000 0.424 424 I N -1.357 119.201 120.570 -0.020 0.000 3.524 424 I HA 0.787 4.957 4.170 -0.000 0.000 0.312 424 I C 0.091 176.202 176.117 -0.011 0.000 1.203 424 I CA -0.803 60.489 61.300 -0.014 0.000 0.974 424 I CB 1.542 39.538 38.000 -0.005 0.000 1.352 424 I HN 0.701 nan 8.210 nan 0.000 0.475 425 G N 0.999 109.794 108.800 -0.008 0.000 2.733 425 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 425 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 425 G C -0.307 174.592 174.900 -0.002 0.000 1.373 425 G CA 0.113 45.213 45.100 -0.001 0.000 0.838 425 G HN 0.923 nan 8.290 nan 0.000 0.588 426 E N 0.237 120.439 120.200 0.003 0.000 2.489 426 E HA 0.249 4.599 4.350 -0.000 0.000 0.193 426 E C 1.716 178.317 176.600 0.002 0.000 1.057 426 E CA 0.388 56.789 56.400 0.002 0.000 0.866 426 E CB 0.360 30.063 29.700 0.005 0.000 0.916 426 E HN 0.771 nan 8.360 nan 0.000 0.500 427 G N 0.342 109.144 108.800 0.002 0.000 2.583 427 G HA2 0.269 4.229 3.960 -0.000 0.000 0.280 427 G HA3 0.269 4.229 3.960 -0.000 0.000 0.280 427 G C -0.355 174.537 174.900 -0.014 0.000 1.376 427 G CA -0.385 44.715 45.100 0.000 0.000 1.043 427 G HN -0.067 nan 8.290 nan 0.000 0.538 428 T N 0.300 114.841 114.554 -0.021 0.000 2.794 428 T HA 0.446 4.796 4.350 -0.000 0.000 0.280 428 T C -0.806 173.861 174.700 -0.054 0.000 0.987 428 T CA -0.164 61.919 62.100 -0.029 0.000 0.993 428 T CB 1.560 70.417 68.868 -0.019 0.000 0.939 428 T HN 0.331 nan 8.240 nan 0.000 0.449 429 L N 3.615 124.802 121.223 -0.059 0.000 2.287 429 L HA 0.507 4.847 4.340 -0.000 0.000 0.287 429 L C -0.106 176.750 176.870 -0.023 0.000 1.022 429 L CA -0.006 54.787 54.840 -0.079 0.000 0.814 429 L CB 1.366 43.348 42.059 -0.127 0.000 1.217 429 L HN 0.574 nan 8.230 nan 0.000 0.420 430 T N 4.875 119.426 114.554 -0.006 0.000 2.762 430 T HA 0.372 4.721 4.350 -0.000 0.000 0.303 430 T C -0.235 174.514 174.700 0.082 0.000 0.977 430 T CA -0.308 61.810 62.100 0.029 0.000 0.961 430 T CB 0.536 69.408 68.868 0.007 0.000 0.944 430 T HN 0.319 nan 8.240 nan 0.000 0.481 431 V N 4.584 124.566 119.914 0.113 0.000 2.432 431 V HA 0.336 4.455 4.120 -0.000 0.000 0.271 431 V C 0.571 176.708 176.094 0.072 0.000 1.046 431 V CA -0.202 62.196 62.300 0.163 0.000 0.945 431 V CB 1.149 33.116 31.823 0.240 0.000 0.992 431 V HN 0.882 nan 8.190 nan 0.000 0.471 432 Q N 3.326 123.154 119.800 0.047 0.000 2.706 432 Q HA 0.350 4.690 4.340 -0.000 0.000 0.335 432 Q C 0.229 176.201 176.000 -0.046 0.000 0.796 432 Q CA -0.229 55.569 55.803 -0.009 0.000 1.046 432 Q CB 0.857 29.589 28.738 -0.010 0.000 1.448 432 Q HN 0.924 nan 8.270 nan 0.000 0.385 433 G N -0.154 108.608 108.800 -0.063 0.000 2.547 433 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 433 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 433 G C -0.418 174.433 174.900 -0.081 0.000 1.211 433 G CA -0.057 44.989 45.100 -0.091 0.000 0.950 433 G HN 0.203 nan 8.290 nan 0.000 0.504 434 T N -0.162 114.346 114.554 -0.077 0.000 2.794 434 T HA 0.670 5.020 4.350 -0.000 0.000 0.280 434 T C 0.582 175.244 174.700 -0.064 0.000 0.987 434 T CA 0.894 62.956 62.100 -0.063 0.000 0.993 434 T CB 1.033 69.868 68.868 -0.055 0.000 0.939 434 T HN 1.816 nan 8.240 nan 0.000 0.449 435 G N 2.380 111.145 108.800 -0.058 0.000 2.582 435 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.222 435 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.222 435 G C -0.705 174.157 174.900 -0.062 0.000 1.311 435 G CA -1.027 44.042 45.100 -0.052 0.000 0.915 435 G HN 0.825 nan 8.290 nan 0.000 0.528 436 I N 1.923 122.462 120.570 -0.052 0.000 2.329 436 I HA 0.120 4.290 4.170 -0.000 0.000 0.295 436 I C 0.569 176.649 176.117 -0.061 0.000 1.109 436 I CA -0.515 60.753 61.300 -0.052 0.000 1.297 436 I CB 0.631 38.611 38.000 -0.033 0.000 1.433 436 I HN 0.475 nan 8.210 nan 0.000 0.509 437 N N 5.882 124.521 118.700 -0.101 0.000 2.452 437 N HA -0.018 4.722 4.740 -0.000 0.000 0.266 437 N C 0.656 176.139 175.510 -0.045 0.000 1.175 437 N CA 0.430 53.418 53.050 -0.104 0.000 0.945 437 N CB 0.821 39.166 38.487 -0.236 0.000 1.063 437 N HN 0.468 nan 8.380 nan 0.000 0.472 438 E N 1.601 121.800 120.200 -0.002 0.000 2.478 438 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 438 E C 0.765 177.408 176.600 0.072 0.000 1.045 438 E CA -0.127 56.288 56.400 0.026 0.000 0.868 438 E CB 0.147 29.858 29.700 0.018 0.000 0.885 438 E HN 0.739 nan 8.360 nan 0.000 0.505 439 G N 0.041 108.906 108.800 0.108 0.000 2.651 439 G HA2 0.364 4.324 3.960 -0.000 0.000 0.260 439 G HA3 0.364 4.324 3.960 -0.000 0.000 0.260 439 G C 0.190 175.277 174.900 0.312 0.000 1.216 439 G CA -0.113 45.102 45.100 0.191 0.000 0.913 439 G HN 0.185 nan 8.290 nan 0.000 0.535 440 G N -1.734 107.232 108.800 0.276 0.000 2.552 440 G HA2 0.572 4.532 3.960 -0.000 0.000 0.318 440 G HA3 0.572 4.532 3.960 -0.000 0.000 0.318 440 G C -1.438 173.471 174.900 0.014 0.000 1.240 440 G CA -0.551 44.671 45.100 0.203 0.000 1.002 440 G HN 0.800 nan 8.290 nan 0.000 0.493 441 L N -0.780 120.214 121.223 -0.382 0.000 2.408 441 L HA 0.691 5.031 4.340 -0.000 0.000 0.268 441 L C -0.703 175.928 176.870 -0.398 0.000 0.986 441 L CA -0.732 53.690 54.840 -0.698 0.000 0.820 441 L CB 2.042 43.212 42.059 -1.482 0.000 1.303 441 L HN 0.447 nan 8.230 nan 0.000 0.411 442 K N 4.116 124.295 120.400 -0.368 0.000 2.507 442 K HA 0.675 4.995 4.320 -0.000 0.000 0.252 442 K C -1.790 174.636 176.600 -0.290 0.000 0.943 442 K CA -0.683 55.389 56.287 -0.357 0.000 0.808 442 K CB 2.600 34.740 32.500 -0.600 0.000 1.142 442 K HN 0.449 nan 8.250 nan 0.000 0.426 443 V N 1.568 121.357 119.914 -0.208 0.000 2.680 443 V HA 0.724 4.844 4.120 -0.000 0.000 0.309 443 V C 0.112 176.155 176.094 -0.084 0.000 1.052 443 V CA -0.019 62.195 62.300 -0.144 0.000 0.908 443 V CB 1.735 33.474 31.823 -0.141 0.000 1.001 443 V HN 0.940 nan 8.190 nan 0.000 0.431 444 G N 3.715 112.485 108.800 -0.050 0.000 2.989 444 G HA2 0.341 4.301 3.960 -0.000 0.000 0.221 444 G HA3 0.341 4.301 3.960 -0.000 0.000 0.221 444 G C -0.263 174.632 174.900 -0.008 0.000 1.050 444 G CA 0.436 45.527 45.100 -0.015 0.000 0.913 444 G HN 0.670 nan 8.290 nan 0.000 0.587 445 D N -1.770 118.620 120.400 -0.017 0.000 2.622 445 D HA 0.479 5.119 4.640 -0.000 0.000 0.255 445 D C 0.824 177.116 176.300 -0.014 0.000 1.246 445 D CA 0.929 54.923 54.000 -0.010 0.000 0.795 445 D CB 1.273 42.068 40.800 -0.008 0.000 1.369 445 D HN 0.769 nan 8.370 nan 0.000 0.425 446 G N 1.696 110.492 108.800 -0.007 0.000 2.566 446 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.280 446 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.280 446 G C -0.483 174.413 174.900 -0.008 0.000 1.225 446 G CA 0.576 45.672 45.100 -0.007 0.000 0.966 446 G HN 0.705 nan 8.290 nan 0.000 0.560 447 K N -1.074 119.318 120.400 -0.012 0.000 2.371 447 K HA 0.670 4.990 4.320 -0.000 0.000 0.251 447 K C -1.026 175.562 176.600 -0.019 0.000 0.934 447 K CA -0.769 55.512 56.287 -0.009 0.000 0.798 447 K CB 2.209 34.707 32.500 -0.002 0.000 1.204 447 K HN 0.578 nan 8.250 nan 0.000 0.427 448 V N 4.071 123.976 119.914 -0.015 0.000 2.444 448 V HA 0.336 4.455 4.120 -0.000 0.000 0.294 448 V C -0.804 175.301 176.094 0.019 0.000 1.022 448 V CA -0.934 61.361 62.300 -0.009 0.000 0.850 448 V CB 1.734 33.539 31.823 -0.029 0.000 0.992 448 V HN 0.523 nan 8.190 nan 0.000 0.426 449 V N 6.570 126.501 119.914 0.029 0.000 2.350 449 V HA 0.389 4.509 4.120 -0.000 0.000 0.276 449 V C 0.048 176.181 176.094 0.064 0.000 1.028 449 V CA -0.455 61.867 62.300 0.038 0.000 0.860 449 V CB 1.458 33.295 31.823 0.024 0.000 0.990 449 V HN 0.632 nan 8.190 nan 0.000 0.453 450 L N 5.207 126.476 121.223 0.076 0.000 2.283 450 L HA 0.439 4.779 4.340 -0.000 0.000 0.287 450 L C 0.802 177.701 176.870 0.048 0.000 1.073 450 L CA 0.286 55.181 54.840 0.092 0.000 0.822 450 L CB 0.060 42.188 42.059 0.115 0.000 1.186 450 L HN 0.734 nan 8.230 nan 0.000 0.436 451 N N 2.326 121.046 118.700 0.032 0.000 2.547 451 N HA 0.007 4.747 4.740 -0.000 0.000 0.285 451 N C -0.199 175.305 175.510 -0.009 0.000 1.600 451 N CA -0.428 52.628 53.050 0.010 0.000 0.872 451 N CB 0.660 39.154 38.487 0.011 0.000 1.412 451 N HN 0.556 nan 8.380 nan 0.000 0.489 452 Q N 1.450 121.235 119.800 -0.026 0.000 2.286 452 Q HA 0.021 4.361 4.340 -0.000 0.000 0.290 452 Q C -0.335 175.640 176.000 -0.042 0.000 1.049 452 Q CA 0.715 56.485 55.803 -0.055 0.000 0.923 452 Q CB 0.562 29.246 28.738 -0.091 0.000 1.183 452 Q HN 0.269 nan 8.270 nan 0.000 0.383 453 Q N 1.521 121.294 119.800 -0.044 0.000 2.256 453 Q HA 0.593 4.933 4.340 -0.000 0.000 0.232 453 Q C -0.789 175.188 176.000 -0.039 0.000 0.965 453 Q CA -0.287 55.493 55.803 -0.038 0.000 0.908 453 Q CB 1.160 29.876 28.738 -0.037 0.000 1.209 453 Q HN 0.763 nan 8.270 nan 0.000 0.489 454 A N 1.522 124.323 122.820 -0.032 0.000 2.316 454 A HA 0.374 4.694 4.320 -0.000 0.000 0.284 454 A C -0.194 177.371 177.584 -0.031 0.000 1.115 454 A CA -0.576 51.442 52.037 -0.031 0.000 0.812 454 A CB 0.203 19.188 19.000 -0.025 0.000 1.064 454 A HN 0.732 nan 8.150 nan 0.000 0.489 455 D N 0.363 120.744 120.400 -0.031 0.000 2.423 455 D HA 0.089 4.729 4.640 -0.000 0.000 0.255 455 D C 0.565 176.851 176.300 -0.023 0.000 1.174 455 D CA -0.385 53.598 54.000 -0.028 0.000 1.008 455 D CB 0.190 40.973 40.800 -0.030 0.000 1.101 455 D HN 0.445 nan 8.370 nan 0.000 0.516 456 N N -0.559 118.128 118.700 -0.021 0.000 2.609 456 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 456 N C 0.669 176.169 175.510 -0.016 0.000 1.157 456 N CA 0.587 53.626 53.050 -0.018 0.000 0.918 456 N CB -0.248 38.230 38.487 -0.016 0.000 0.978 456 N HN 0.476 nan 8.380 nan 0.000 0.448 457 K N -0.074 120.316 120.400 -0.018 0.000 2.437 457 K HA 0.208 4.528 4.320 -0.000 0.000 0.205 457 K C 0.661 177.251 176.600 -0.017 0.000 1.026 457 K CA 0.200 56.477 56.287 -0.016 0.000 1.153 457 K CB -0.336 32.154 32.500 -0.016 0.000 0.863 457 K HN 0.240 nan 8.250 nan 0.000 0.502 458 G N 1.792 110.581 108.800 -0.018 0.000 2.269 458 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.277 458 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.277 458 G C -0.317 174.571 174.900 -0.021 0.000 1.008 458 G CA 0.615 45.704 45.100 -0.019 0.000 0.774 458 G HN 0.474 nan 8.290 nan 0.000 0.511 459 Q N -1.199 118.587 119.800 -0.023 0.000 2.259 459 Q HA 0.708 5.048 4.340 -0.000 0.000 0.246 459 Q C -0.131 175.850 176.000 -0.032 0.000 0.920 459 Q CA -0.356 55.431 55.803 -0.026 0.000 0.895 459 Q CB 2.825 31.548 28.738 -0.025 0.000 1.220 459 Q HN 0.594 nan 8.270 nan 0.000 0.439 460 V N 1.462 121.356 119.914 -0.034 0.000 2.891 460 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 460 V C -2.022 174.043 176.094 -0.047 0.000 1.171 460 V CA -0.262 62.013 62.300 -0.043 0.000 0.943 460 V CB 2.105 33.905 31.823 -0.038 0.000 1.037 460 V HN 0.900 nan 8.190 nan 0.000 0.427 461 Q N 4.790 124.549 119.800 -0.069 0.000 2.380 461 Q HA 0.597 4.937 4.340 -0.000 0.000 0.245 461 Q C 0.072 175.980 176.000 -0.154 0.000 0.893 461 Q CA 0.163 55.919 55.803 -0.077 0.000 0.922 461 Q CB 1.989 30.695 28.738 -0.054 0.000 1.432 461 Q HN 1.199 nan 8.270 nan 0.000 0.434 462 A N 3.928 126.645 122.820 -0.172 0.000 1.929 462 A HA 0.239 4.559 4.320 -0.000 0.000 0.216 462 A C -0.217 176.810 177.584 -0.929 0.000 1.176 462 A CA 1.176 52.971 52.037 -0.402 0.000 0.628 462 A CB 0.198 19.100 19.000 -0.163 0.000 0.816 462 A HN 0.546 nan 8.150 nan 0.000 0.444 463 F N -2.804 117.155 119.950 0.015 0.000 2.688 463 F HA 0.266 4.793 4.527 -0.000 0.000 0.308 463 F C 1.177 176.980 175.800 0.004 0.000 1.117 463 F CA -0.305 57.704 58.000 0.016 0.000 0.976 463 F CB 1.311 40.318 39.000 0.010 0.000 1.291 463 F HN -0.021 nan 8.300 nan 0.000 0.439 464 S N -0.302 115.519 115.700 0.202 0.000 2.447 464 S HA 0.133 4.603 4.470 -0.000 0.000 0.233 464 S C 0.401 175.063 174.600 0.103 0.000 1.006 464 S CA 0.841 59.109 58.200 0.115 0.000 0.957 464 S CB -0.365 62.890 63.200 0.092 0.000 0.773 464 S HN 0.906 nan 8.310 nan 0.000 0.507 465 S N -1.224 114.554 115.700 0.130 0.000 2.587 465 S HA 0.694 5.164 4.470 -0.000 0.000 0.269 465 S C -1.385 173.216 174.600 0.001 0.000 1.154 465 S CA -0.837 57.395 58.200 0.054 0.000 0.824 465 S CB 1.566 64.783 63.200 0.028 0.000 1.118 465 S HN 0.256 nan 8.310 nan 0.000 0.462 466 V N 1.958 121.829 119.914 -0.071 0.000 2.841 466 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 466 V C -0.873 175.107 176.094 -0.190 0.000 1.090 466 V CA -0.664 61.529 62.300 -0.178 0.000 0.930 466 V CB 1.958 33.675 31.823 -0.178 0.000 1.014 466 V HN 0.986 nan 8.190 nan 0.000 0.425 467 N N 3.784 122.357 118.700 -0.211 0.000 2.296 467 N HA 0.599 5.339 4.740 -0.000 0.000 0.294 467 N C -1.695 173.707 175.510 -0.180 0.000 1.033 467 N CA -0.419 52.526 53.050 -0.175 0.000 0.839 467 N CB 1.989 40.413 38.487 -0.106 0.000 1.395 467 N HN 0.624 nan 8.380 nan 0.000 0.479 468 I N 2.449 122.911 120.570 -0.180 0.000 2.410 468 I HA 0.580 4.750 4.170 -0.000 0.000 0.286 468 I C -0.295 175.846 176.117 0.041 0.000 1.009 468 I CA -0.498 60.733 61.300 -0.115 0.000 1.111 468 I CB 1.681 39.540 38.000 -0.234 0.000 1.262 468 I HN 0.519 nan 8.210 nan 0.000 0.443 469 A N 3.918 126.773 122.820 0.058 0.000 2.587 469 A HA 0.738 5.058 4.320 -0.000 0.000 0.293 469 A C 0.301 177.945 177.584 0.099 0.000 1.087 469 A CA 0.213 52.320 52.037 0.116 0.000 0.692 469 A CB 1.659 20.745 19.000 0.142 0.000 1.291 469 A HN 1.260 nan 8.150 nan 0.000 0.407 470 S N -0.693 115.081 115.700 0.122 0.000 2.372 470 S HA 0.028 4.498 4.470 -0.000 0.000 0.257 470 S C 2.115 176.729 174.600 0.024 0.000 1.282 470 S CA 1.665 59.926 58.200 0.102 0.000 1.305 470 S CB -1.894 61.357 63.200 0.086 0.000 1.614 470 S HN 3.125 nan 8.310 nan 0.000 0.631 471 G N 1.359 110.168 108.800 0.014 0.000 2.176 471 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.253 471 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.253 471 G C 0.677 175.578 174.900 0.002 0.000 0.979 471 G CA 0.854 45.945 45.100 -0.014 0.000 0.641 471 G HN 0.864 nan 8.290 nan 0.000 0.530 472 R N 0.332 120.841 120.500 0.015 0.000 2.175 472 R HA 0.172 4.512 4.340 -0.000 0.000 0.202 472 R C -1.639 174.669 176.300 0.014 0.000 1.018 472 R CA 0.733 56.840 56.100 0.011 0.000 1.029 472 R CB -0.105 30.200 30.300 0.009 0.000 0.959 472 R HN 0.463 nan 8.270 nan 0.000 0.480 473 P HA 0.226 nan 4.420 nan 0.000 0.287 473 P C -0.960 176.358 177.300 0.029 0.000 1.279 473 P CA -0.103 63.005 63.100 0.013 0.000 0.867 473 P CB 1.994 33.693 31.700 -0.003 0.000 1.127 474 T N 0.504 115.071 114.554 0.022 0.000 2.829 474 T HA 0.385 4.735 4.350 -0.000 0.000 0.280 474 T C -0.305 174.407 174.700 0.019 0.000 0.999 474 T CA -0.403 61.718 62.100 0.035 0.000 0.983 474 T CB 1.040 69.929 68.868 0.036 0.000 0.968 474 T HN 0.085 nan 8.240 nan 0.000 0.446 475 V N 3.709 123.639 119.914 0.026 0.000 2.417 475 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 475 V C -0.254 175.864 176.094 0.039 0.000 1.024 475 V CA -0.725 61.582 62.300 0.012 0.000 0.861 475 V CB 1.734 33.541 31.823 -0.027 0.000 0.985 475 V HN 0.693 nan 8.190 nan 0.000 0.436 476 V N 6.454 126.391 119.914 0.038 0.000 2.357 476 V HA 0.393 4.513 4.120 -0.000 0.000 0.284 476 V C -0.003 176.121 176.094 0.049 0.000 1.018 476 V CA -0.532 61.795 62.300 0.046 0.000 0.841 476 V CB 1.545 33.390 31.823 0.037 0.000 0.991 476 V HN 0.647 nan 8.190 nan 0.000 0.437 477 L N 4.965 126.222 121.223 0.056 0.000 2.385 477 L HA 0.198 4.538 4.340 -0.000 0.000 0.281 477 L C 1.845 178.738 176.870 0.039 0.000 1.106 477 L CA 0.034 54.904 54.840 0.050 0.000 0.856 477 L CB 1.021 43.114 42.059 0.057 0.000 1.186 477 L HN 0.883 nan 8.230 nan 0.000 0.453 478 T N -1.318 113.254 114.554 0.031 0.000 3.023 478 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 478 T C 0.356 175.066 174.700 0.016 0.000 1.093 478 T CA 0.987 63.100 62.100 0.022 0.000 1.129 478 T CB -0.111 68.766 68.868 0.016 0.000 0.899 478 T HN 0.772 nan 8.240 nan 0.000 0.491 479 D N -0.437 119.971 120.400 0.014 0.000 2.825 479 D HA 0.321 4.961 4.640 -0.000 0.000 0.327 479 D C 0.085 176.388 176.300 0.005 0.000 1.277 479 D CA -0.751 53.253 54.000 0.008 0.000 0.950 479 D CB 0.471 41.272 40.800 0.001 0.000 1.438 479 D HN 0.092 nan 8.370 nan 0.000 0.526 480 E N -0.886 119.312 120.200 -0.003 0.000 2.481 480 E HA 0.159 4.509 4.350 -0.000 0.000 0.195 480 E C 1.243 177.830 176.600 -0.022 0.000 1.047 480 E CA 0.340 56.732 56.400 -0.014 0.000 0.867 480 E CB -0.130 29.559 29.700 -0.018 0.000 0.858 480 E HN 0.301 nan 8.360 nan 0.000 0.513 481 R N 0.444 120.934 120.500 -0.016 0.000 2.334 481 R HA 0.145 4.485 4.340 -0.000 0.000 0.216 481 R C 1.268 177.557 176.300 -0.018 0.000 0.905 481 R CA 0.060 56.148 56.100 -0.020 0.000 1.064 481 R CB 0.238 30.526 30.300 -0.020 0.000 1.046 481 R HN 0.156 nan 8.270 nan 0.000 0.508 482 Q N 0.174 119.968 119.800 -0.009 0.000 2.084 482 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 482 Q C 0.565 176.573 176.000 0.012 0.000 0.978 482 Q CA 1.044 56.849 55.803 0.003 0.000 0.844 482 Q CB 0.252 29.006 28.738 0.027 0.000 0.898 482 Q HN 0.041 nan 8.270 nan 0.000 0.426 483 V N 1.545 121.462 119.914 0.004 0.000 2.891 483 V HA 0.143 4.263 4.120 -0.000 0.000 0.304 483 V C -0.588 175.486 176.094 -0.033 0.000 1.171 483 V CA -1.310 60.995 62.300 0.009 0.000 0.943 483 V CB 2.192 34.037 31.823 0.036 0.000 1.037 483 V HN 0.160 nan 8.190 nan 0.000 0.427 484 N N 5.588 124.272 118.700 -0.027 0.000 2.434 484 N HA 0.135 4.875 4.740 -0.000 0.000 0.268 484 N C -1.729 173.727 175.510 -0.090 0.000 1.256 484 N CA -1.296 51.723 53.050 -0.052 0.000 0.914 484 N CB 1.646 40.121 38.487 -0.020 0.000 1.088 484 N HN 0.278 nan 8.380 nan 0.000 0.478 485 P HA -0.065 nan 4.420 nan 0.000 0.220 485 P C 0.302 177.485 177.300 -0.195 0.000 1.148 485 P CA 0.970 63.824 63.100 -0.411 0.000 0.803 485 P CB 0.286 31.313 31.700 -1.123 0.000 0.782 486 D N -1.368 118.990 120.400 -0.070 0.000 2.378 486 D HA -0.078 4.562 4.640 -0.000 0.000 0.222 486 D C 1.444 177.807 176.300 0.106 0.000 0.980 486 D CA 1.424 55.486 54.000 0.104 0.000 0.907 486 D CB -0.421 40.461 40.800 0.137 0.000 0.899 486 D HN 0.330 nan 8.370 nan 0.000 0.527 487 T N -2.172 112.411 114.554 0.048 0.000 3.069 487 T HA 0.136 4.486 4.350 -0.000 0.000 0.252 487 T C 0.786 175.492 174.700 0.011 0.000 1.053 487 T CA -0.447 61.679 62.100 0.043 0.000 0.964 487 T CB -0.065 68.823 68.868 0.033 0.000 1.005 487 T HN -0.032 nan 8.240 nan 0.000 0.532 488 V N 2.090 121.999 119.914 -0.008 0.000 2.498 488 V HA 0.763 4.883 4.120 -0.000 0.000 0.279 488 V C -0.355 175.643 176.094 -0.160 0.000 1.048 488 V CA -0.606 61.605 62.300 -0.148 0.000 0.967 488 V CB 0.880 32.538 31.823 -0.274 0.000 0.988 488 V HN 0.559 nan 8.190 nan 0.000 0.473 489 S N 5.366 120.944 115.700 -0.204 0.000 2.599 489 S HA 0.695 5.165 4.470 -0.000 0.000 0.294 489 S C -0.964 173.555 174.600 -0.136 0.000 1.094 489 S CA -0.842 57.350 58.200 -0.013 0.000 0.931 489 S CB 1.796 65.064 63.200 0.114 0.000 1.093 489 S HN 0.889 nan 8.310 nan 0.000 0.488 490 W N 1.167 122.545 121.300 0.130 0.000 2.417 490 W HA 0.541 5.201 4.660 -0.000 0.000 0.315 490 W C 0.592 177.173 176.519 0.104 0.000 1.045 490 W CA -0.868 56.538 57.345 0.102 0.000 1.221 490 W CB 1.964 31.485 29.460 0.102 0.000 1.309 490 W HN 1.076 nan 8.180 nan 0.000 0.453 491 G N 1.414 110.377 108.800 0.271 0.000 2.531 491 G HA2 0.121 4.081 3.960 -0.000 0.000 0.281 491 G HA3 0.121 4.081 3.960 -0.000 0.000 0.281 491 G C -1.227 173.826 174.900 0.256 0.000 1.382 491 G CA -0.663 44.581 45.100 0.241 0.000 1.045 491 G HN 0.436 nan 8.290 nan 0.000 0.533 492 Y N 0.780 121.155 120.300 0.125 0.000 2.916 492 Y HA -0.095 4.455 4.550 -0.000 0.000 0.344 492 Y C 1.777 177.730 175.900 0.088 0.000 1.282 492 Y CA 1.485 59.645 58.100 0.101 0.000 1.604 492 Y CB 0.029 38.552 38.460 0.106 0.000 1.207 492 Y HN 0.742 nan 8.280 nan 0.000 0.561 493 R N 2.339 122.618 120.500 -0.369 0.000 3.953 493 R HA -0.282 4.058 4.340 -0.000 0.000 0.448 493 R C 1.225 177.478 176.300 -0.078 0.000 1.016 493 R CA 0.797 56.714 56.100 -0.304 0.000 1.398 493 R CB -1.981 28.076 30.300 -0.405 0.000 2.021 493 R HN 1.348 nan 8.270 nan 0.000 0.538 494 G N -0.620 108.216 108.800 0.060 0.000 2.611 494 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.301 494 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.301 494 G C 0.495 175.512 174.900 0.195 0.000 1.233 494 G CA 0.724 45.948 45.100 0.207 0.000 0.993 494 G HN 1.400 nan 8.290 nan 0.000 0.553 495 G N -3.801 105.126 108.800 0.213 0.000 2.325 495 G HA2 0.535 4.495 3.960 -0.000 0.000 0.285 495 G HA3 0.535 4.495 3.960 -0.000 0.000 0.285 495 G C -0.615 174.453 174.900 0.279 0.000 1.303 495 G CA 0.515 45.717 45.100 0.170 0.000 0.970 495 G HN 1.760 nan 8.290 nan 0.000 0.490 496 T N 1.241 115.923 114.554 0.214 0.000 2.823 496 T HA 0.596 4.946 4.350 -0.000 0.000 0.279 496 T C -0.294 174.566 174.700 0.267 0.000 0.998 496 T CA -0.476 61.772 62.100 0.246 0.000 0.994 496 T CB 1.477 70.416 68.868 0.119 0.000 0.960 496 T HN 0.660 nan 8.240 nan 0.000 0.448 497 L N 4.118 125.570 121.223 0.381 0.000 2.287 497 L HA 0.353 4.693 4.340 -0.000 0.000 0.280 497 L C -0.333 176.666 176.870 0.215 0.000 1.055 497 L CA -0.443 54.550 54.840 0.255 0.000 0.863 497 L CB 0.527 42.790 42.059 0.340 0.000 1.245 497 L HN 0.655 nan 8.230 nan 0.000 0.432 498 D N 3.723 124.206 120.400 0.138 0.000 2.383 498 D HA -0.005 4.635 4.640 -0.000 0.000 0.245 498 D C 1.499 177.865 176.300 0.110 0.000 1.263 498 D CA -0.223 53.843 54.000 0.110 0.000 0.936 498 D CB 1.019 41.865 40.800 0.075 0.000 1.053 498 D HN 0.471 nan 8.370 nan 0.000 0.507 499 V N 2.082 122.074 119.914 0.130 0.000 2.982 499 V HA -0.195 3.925 4.120 -0.000 0.000 0.265 499 V C 0.988 177.131 176.094 0.082 0.000 1.122 499 V CA 0.923 63.296 62.300 0.122 0.000 1.143 499 V CB -1.495 30.416 31.823 0.146 0.000 0.726 499 V HN 0.763 nan 8.190 nan 0.000 0.507 500 N N 0.954 119.695 118.700 0.068 0.000 2.688 500 N HA -0.137 4.603 4.740 -0.000 0.000 0.258 500 N C 0.971 176.505 175.510 0.041 0.000 1.016 500 N CA 1.543 54.622 53.050 0.049 0.000 0.747 500 N CB -1.372 37.141 38.487 0.043 0.000 0.895 500 N HN 1.588 nan 8.380 nan 0.000 0.543 501 G N -0.958 107.867 108.800 0.041 0.000 2.199 501 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 501 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 501 G C -0.138 174.780 174.900 0.030 0.000 0.982 501 G CA 0.283 45.402 45.100 0.032 0.000 0.632 501 G HN 0.632 nan 8.290 nan 0.000 0.529 502 N N 0.999 119.722 118.700 0.038 0.000 2.421 502 N HA 0.498 5.238 4.740 -0.000 0.000 0.285 502 N C -0.277 175.257 175.510 0.040 0.000 1.027 502 N CA -0.104 52.965 53.050 0.032 0.000 0.918 502 N CB 1.603 40.108 38.487 0.029 0.000 1.152 502 N HN 0.178 nan 8.380 nan 0.000 0.485 503 S N 1.698 117.414 115.700 0.026 0.000 2.601 503 S HA 0.595 5.065 4.470 -0.000 0.000 0.271 503 S C 0.195 174.808 174.600 0.021 0.000 1.305 503 S CA -0.432 57.785 58.200 0.027 0.000 1.022 503 S CB 0.635 63.839 63.200 0.007 0.000 0.940 503 S HN 0.328 nan 8.310 nan 0.000 0.525 504 L N 0.918 122.164 121.223 0.039 0.000 2.568 504 L HA 0.506 4.846 4.340 -0.000 0.000 0.257 504 L C -0.732 176.135 176.870 -0.005 0.000 1.024 504 L CA -0.866 53.970 54.840 -0.006 0.000 0.854 504 L CB 2.391 44.441 42.059 -0.014 0.000 1.460 504 L HN 0.442 nan 8.230 nan 0.000 0.409 505 T N 0.890 115.359 114.554 -0.141 0.000 2.797 505 T HA 0.668 5.018 4.350 -0.000 0.000 0.279 505 T C -1.070 173.435 174.700 -0.325 0.000 0.991 505 T CA -0.221 61.774 62.100 -0.175 0.000 0.979 505 T CB 0.764 69.491 68.868 -0.235 0.000 0.943 505 T HN 0.135 nan 8.240 nan 0.000 0.444 506 F N 1.545 121.339 119.950 -0.261 0.000 2.467 506 F HA 0.383 4.910 4.527 -0.000 0.000 0.336 506 F C 1.039 176.648 175.800 -0.318 0.000 1.123 506 F CA -0.834 57.050 58.000 -0.194 0.000 0.964 506 F CB 1.451 40.410 39.000 -0.068 0.000 1.136 506 F HN 0.718 nan 8.300 nan 0.000 0.447 507 H N -0.009 119.133 119.070 0.120 0.000 2.563 507 H HA 0.133 4.689 4.556 -0.000 0.000 0.264 507 H C -0.212 175.168 175.328 0.086 0.000 0.957 507 H CA 0.288 56.374 56.048 0.063 0.000 1.173 507 H CB 0.373 30.155 29.762 0.034 0.000 1.420 507 H HN 0.553 nan 8.280 nan 0.000 0.551 508 Q N -0.070 119.895 119.800 0.276 0.000 2.534 508 Q HA 0.419 4.759 4.340 -0.000 0.000 0.290 508 Q C -1.617 174.636 176.000 0.422 0.000 0.991 508 Q CA -0.926 55.061 55.803 0.306 0.000 0.783 508 Q CB 1.952 30.928 28.738 0.396 0.000 1.470 508 Q HN 0.076 nan 8.270 nan 0.000 0.406 509 L N 1.730 123.251 121.223 0.498 0.000 2.433 509 L HA 0.394 4.734 4.340 -0.000 0.000 0.256 509 L C -0.560 176.648 176.870 0.563 0.000 1.063 509 L CA -0.692 54.397 54.840 0.414 0.000 0.922 509 L CB 1.215 43.227 42.059 -0.078 0.000 1.238 509 L HN 0.442 nan 8.230 nan 0.000 0.466 510 K N 3.116 123.866 120.400 0.583 0.000 2.167 510 K HA 0.467 4.787 4.320 -0.000 0.000 0.275 510 K C -0.209 176.742 176.600 0.584 0.000 1.103 510 K CA -0.012 56.571 56.287 0.493 0.000 0.963 510 K CB 0.893 33.611 32.500 0.364 0.000 1.243 510 K HN 0.511 nan 8.250 nan 0.000 0.407 511 A N 1.400 124.518 122.820 0.498 0.000 2.381 511 A HA 0.580 4.900 4.320 -0.000 0.000 0.299 511 A C 0.637 178.400 177.584 0.299 0.000 1.049 511 A CA -0.490 51.810 52.037 0.439 0.000 0.715 511 A CB 1.518 20.692 19.000 0.290 0.000 1.222 511 A HN 0.550 nan 8.150 nan 0.000 0.428 512 A N 1.921 124.895 122.820 0.257 0.000 1.930 512 A HA 0.376 4.696 4.320 -0.000 0.000 0.215 512 A C 0.688 178.313 177.584 0.068 0.000 1.176 512 A CA 2.004 54.155 52.037 0.191 0.000 0.632 512 A CB -0.300 18.814 19.000 0.190 0.000 0.819 512 A HN 1.032 nan 8.150 nan 0.000 0.445 513 D N -5.928 114.464 120.400 -0.014 0.000 2.768 513 D HA 0.188 4.828 4.640 -0.000 0.000 0.327 513 D C 0.249 176.443 176.300 -0.178 0.000 1.302 513 D CA -0.666 53.245 54.000 -0.149 0.000 0.897 513 D CB -0.271 40.438 40.800 -0.152 0.000 1.420 513 D HN -0.111 nan 8.370 nan 0.000 0.494 514 Y N 0.446 120.530 120.300 -0.359 0.000 2.365 514 Y HA 0.013 4.563 4.550 -0.000 0.000 0.287 514 Y C 2.074 177.799 175.900 -0.292 0.000 1.162 514 Y CA 2.419 60.303 58.100 -0.360 0.000 1.260 514 Y CB -0.424 37.823 38.460 -0.354 0.000 0.976 514 Y HN 0.583 nan 8.280 nan 0.000 0.548 515 G N -0.546 108.105 108.800 -0.248 0.000 2.744 515 G HA2 0.093 4.053 3.960 -0.000 0.000 0.211 515 G HA3 0.093 4.053 3.960 -0.000 0.000 0.211 515 G C 0.549 175.299 174.900 -0.250 0.000 1.143 515 G CA 0.231 45.175 45.100 -0.261 0.000 0.788 515 G HN 0.558 nan 8.290 nan 0.000 0.534 516 A N 0.619 123.239 122.820 -0.334 0.000 2.444 516 A HA 0.535 4.855 4.320 -0.000 0.000 0.287 516 A C -0.371 176.806 177.584 -0.678 0.000 1.195 516 A CA -0.047 51.613 52.037 -0.629 0.000 0.858 516 A CB 0.355 18.935 19.000 -0.700 0.000 1.117 516 A HN 0.146 nan 8.150 nan 0.000 0.521 517 V N 4.377 124.009 119.914 -0.470 0.000 2.417 517 V HA 0.390 4.510 4.120 -0.000 0.000 0.291 517 V C -0.324 175.724 176.094 -0.076 0.000 1.024 517 V CA -0.549 61.609 62.300 -0.238 0.000 0.861 517 V CB 1.431 33.201 31.823 -0.088 0.000 0.985 517 V HN 0.799 nan 8.190 nan 0.000 0.436 518 L N 5.285 126.469 121.223 -0.064 0.000 2.287 518 L HA 0.924 5.264 4.340 -0.000 0.000 0.287 518 L C 0.015 176.928 176.870 0.073 0.000 1.022 518 L CA 0.278 55.167 54.840 0.081 0.000 0.814 518 L CB 1.053 43.077 42.059 -0.058 0.000 1.217 518 L HN 0.809 nan 8.230 nan 0.000 0.420 519 A N 3.962 126.850 122.820 0.113 0.000 2.564 519 A HA 0.799 5.119 4.320 -0.000 0.000 0.288 519 A C -1.466 176.171 177.584 0.089 0.000 1.164 519 A CA -0.713 51.374 52.037 0.084 0.000 0.712 519 A CB 1.555 20.594 19.000 0.065 0.000 1.303 519 A HN 0.621 nan 8.150 nan 0.000 0.418 520 N N 0.368 119.110 118.700 0.069 0.000 2.533 520 N HA 0.323 5.063 4.740 -0.000 0.000 0.289 520 N C -1.328 174.210 175.510 0.048 0.000 1.103 520 N CA -0.418 52.669 53.050 0.063 0.000 0.877 520 N CB 1.010 39.534 38.487 0.061 0.000 1.419 520 N HN 0.447 nan 8.380 nan 0.000 0.517 521 N N 1.965 120.691 118.700 0.043 0.000 2.275 521 N HA 0.189 4.929 4.740 -0.000 0.000 0.236 521 N C -0.922 174.604 175.510 0.027 0.000 1.154 521 N CA 0.137 53.206 53.050 0.032 0.000 0.866 521 N CB 1.073 39.578 38.487 0.030 0.000 1.093 521 N HN 0.215 nan 8.380 nan 0.000 0.515 522 V N 0.394 120.325 119.914 0.028 0.000 2.914 522 V HA 0.153 4.273 4.120 -0.000 0.000 0.314 522 V C 0.558 176.665 176.094 0.022 0.000 1.084 522 V CA -0.632 61.682 62.300 0.023 0.000 0.963 522 V CB 2.584 34.422 31.823 0.025 0.000 1.025 522 V HN -0.039 nan 8.190 nan 0.000 0.432 523 D N 1.329 121.740 120.400 0.018 0.000 2.203 523 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 523 D C 1.032 177.343 176.300 0.017 0.000 0.997 523 D CA 1.335 55.344 54.000 0.016 0.000 0.863 523 D CB 0.096 40.904 40.800 0.013 0.000 0.928 523 D HN 0.438 nan 8.370 nan 0.000 0.458 524 K N 1.395 121.806 120.400 0.018 0.000 2.310 524 K HA 0.087 4.407 4.320 -0.000 0.000 0.290 524 K C 0.216 176.829 176.600 0.021 0.000 1.077 524 K CA -0.494 55.803 56.287 0.017 0.000 0.922 524 K CB 0.789 33.298 32.500 0.015 0.000 1.057 524 K HN -0.141 nan 8.250 nan 0.000 0.479 525 R N 2.660 123.172 120.500 0.020 0.000 2.738 525 R HA 0.317 4.657 4.340 -0.000 0.000 0.268 525 R C -1.190 175.124 176.300 0.023 0.000 1.062 525 R CA 0.091 56.205 56.100 0.024 0.000 1.158 525 R CB 0.805 31.118 30.300 0.022 0.000 1.046 525 R HN 0.685 nan 8.270 nan 0.000 0.493 526 A N 1.853 124.690 122.820 0.028 0.000 2.549 526 A HA 0.504 4.824 4.320 -0.000 0.000 0.297 526 A C -1.200 176.398 177.584 0.024 0.000 1.061 526 A CA -0.780 51.274 52.037 0.028 0.000 0.690 526 A CB 2.079 21.104 19.000 0.042 0.000 1.287 526 A HN 0.707 nan 8.150 nan 0.000 0.402 527 T N 2.192 116.754 114.554 0.013 0.000 2.895 527 T HA 0.621 4.971 4.350 -0.000 0.000 0.283 527 T C -0.389 174.316 174.700 0.009 0.000 1.014 527 T CA -0.306 61.790 62.100 -0.006 0.000 1.037 527 T CB 0.873 69.724 68.868 -0.028 0.000 1.006 527 T HN 0.423 nan 8.240 nan 0.000 0.468 528 I N 2.913 123.476 120.570 -0.011 0.000 2.410 528 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 528 I C 0.124 176.220 176.117 -0.036 0.000 1.009 528 I CA -0.512 60.805 61.300 0.029 0.000 1.111 528 I CB 1.382 39.384 38.000 0.003 0.000 1.262 528 I HN 0.579 nan 8.210 nan 0.000 0.443 529 T N 6.941 121.489 114.554 -0.010 0.000 2.799 529 T HA 0.585 4.935 4.350 -0.000 0.000 0.286 529 T C -0.022 174.629 174.700 -0.080 0.000 0.973 529 T CA -0.394 61.658 62.100 -0.080 0.000 1.035 529 T CB 1.429 70.243 68.868 -0.091 0.000 0.932 529 T HN 0.122 nan 8.240 nan 0.000 0.469 530 L N 2.762 123.906 121.223 -0.131 0.000 2.344 530 L HA 0.578 4.918 4.340 -0.000 0.000 0.272 530 L C 0.537 177.283 176.870 -0.208 0.000 1.035 530 L CA -0.132 54.631 54.840 -0.129 0.000 0.807 530 L CB 1.320 43.328 42.059 -0.085 0.000 1.237 530 L HN 0.575 nan 8.230 nan 0.000 0.442 531 D N 0.308 120.569 120.400 -0.232 0.000 3.453 531 D HA 0.092 4.732 4.640 -0.000 0.000 0.312 531 D C -0.663 175.526 176.300 -0.184 0.000 1.349 531 D CA -0.208 53.644 54.000 -0.246 0.000 0.739 531 D CB 0.167 40.872 40.800 -0.159 0.000 1.312 531 D HN 0.303 nan 8.370 nan 0.000 0.628 612 Y N -0.174 119.926 120.300 -0.333 0.000 2.409 612 Y HA 0.628 5.178 4.550 -0.000 0.000 0.321 612 Y C -1.931 173.647 175.900 -0.537 0.000 1.209 612 Y CA -0.857 56.977 58.100 -0.443 0.000 1.086 612 Y CB 1.873 39.681 38.460 -1.088 0.000 1.320 612 Y HN 0.574 nan 8.280 nan 0.000 0.440 613 L N 6.757 127.164 121.223 -1.359 0.000 2.346 613 L HA 0.738 5.078 4.340 -0.000 0.000 0.276 613 L C -2.129 174.094 176.870 -1.078 0.000 1.006 613 L CA -0.688 53.395 54.840 -1.263 0.000 0.817 613 L CB 1.274 42.409 42.059 -1.540 0.000 1.272 613 L HN 0.513 nan 8.230 nan 0.000 0.421 614 F N 4.107 123.646 119.950 -0.684 0.000 2.529 614 F HA 0.457 4.984 4.527 -0.000 0.000 0.320 614 F C 0.257 175.859 175.800 -0.331 0.000 1.118 614 F CA -0.311 57.436 58.000 -0.421 0.000 0.915 614 F CB 1.329 40.255 39.000 -0.124 0.000 1.161 614 F HN 0.639 nan 8.300 nan 0.000 0.445 615 H N 3.300 121.928 119.070 -0.736 0.000 2.592 615 H HA 0.292 4.848 4.556 -0.000 0.000 0.265 615 H C 1.138 175.970 175.328 -0.827 0.000 0.955 615 H CA 0.666 56.354 56.048 -0.601 0.000 1.175 615 H CB 0.467 30.006 29.762 -0.371 0.000 1.433 615 H HN 0.704 nan 8.280 nan 0.000 0.537 616 G N 0.038 107.848 108.800 -1.650 0.000 2.509 616 G HA2 0.364 4.324 3.960 -0.000 0.000 0.269 616 G HA3 0.364 4.324 3.960 -0.000 0.000 0.269 616 G C -0.372 174.009 174.900 -0.865 0.000 1.416 616 G CA -0.412 43.876 45.100 -1.353 0.000 1.052 616 G HN 0.176 nan 8.290 nan 0.000 0.542 617 Q N -1.208 118.341 119.800 -0.418 0.000 2.394 617 Q HA 0.571 4.911 4.340 -0.000 0.000 0.273 617 Q C -1.220 174.806 176.000 0.043 0.000 1.089 617 Q CA -0.535 55.164 55.803 -0.172 0.000 0.812 617 Q CB 2.847 31.379 28.738 -0.342 0.000 1.353 617 Q HN 0.281 nan 8.270 nan 0.000 0.438 618 L N 1.858 123.146 121.223 0.108 0.000 2.356 618 L HA 0.609 4.949 4.340 -0.000 0.000 0.277 618 L C -0.709 176.211 176.870 0.083 0.000 0.996 618 L CA -0.591 54.330 54.840 0.134 0.000 0.822 618 L CB 1.466 43.678 42.059 0.255 0.000 1.256 618 L HN 0.383 nan 8.230 nan 0.000 0.413 619 K N 2.099 122.535 120.400 0.059 0.000 2.464 619 K HA 0.754 5.073 4.320 -0.000 0.000 0.253 619 K C -0.014 176.615 176.600 0.049 0.000 0.933 619 K CA -0.413 55.895 56.287 0.034 0.000 0.801 619 K CB 2.649 35.146 32.500 -0.006 0.000 1.271 619 K HN 0.754 nan 8.250 nan 0.000 0.430 620 G N 2.338 111.165 108.800 0.045 0.000 2.499 620 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.232 620 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.232 620 G C -0.425 174.510 174.900 0.059 0.000 1.251 620 G CA -0.369 44.757 45.100 0.043 0.000 0.917 620 G HN 0.599 nan 8.290 nan 0.000 0.580 621 N N 1.402 120.133 118.700 0.051 0.000 3.027 621 N HA 0.414 5.154 4.740 -0.000 0.000 0.309 621 N C -0.198 175.346 175.510 0.057 0.000 1.222 621 N CA 0.389 53.469 53.050 0.051 0.000 1.187 621 N CB -1.047 37.464 38.487 0.039 0.000 1.458 621 N HN 0.529 nan 8.380 nan 0.000 0.535 622 L N 0.650 121.916 121.223 0.072 0.000 2.371 622 L HA 0.509 4.849 4.340 -0.000 0.000 0.262 622 L C -0.187 176.724 176.870 0.068 0.000 1.006 622 L CA -1.076 53.806 54.840 0.069 0.000 0.818 622 L CB 1.944 44.054 42.059 0.084 0.000 1.354 622 L HN 0.127 nan 8.230 nan 0.000 0.415 623 N N 0.515 119.231 118.700 0.028 0.000 2.404 623 N HA 0.659 5.399 4.740 -0.000 0.000 0.297 623 N C -1.234 174.235 175.510 -0.069 0.000 1.163 623 N CA -0.453 52.588 53.050 -0.014 0.000 0.864 623 N CB 2.825 41.286 38.487 -0.043 0.000 1.247 623 N HN 0.129 nan 8.380 nan 0.000 0.510 624 V N 0.903 120.699 119.914 -0.197 0.000 2.638 624 V HA 0.292 4.412 4.120 -0.000 0.000 0.306 624 V C -1.060 174.707 176.094 -0.545 0.000 1.052 624 V CA -0.839 61.240 62.300 -0.368 0.000 0.885 624 V CB 2.084 33.617 31.823 -0.484 0.000 0.999 624 V HN 0.507 nan 8.190 nan 0.000 0.424 625 D N 3.215 123.379 120.400 -0.392 0.000 2.381 625 D HA 0.298 4.938 4.640 -0.000 0.000 0.235 625 D C -0.351 175.748 176.300 -0.335 0.000 1.068 625 D CA -0.210 53.581 54.000 -0.349 0.000 0.832 625 D CB 1.608 42.285 40.800 -0.205 0.000 1.101 625 D HN 0.475 nan 8.370 nan 0.000 0.515 626 N N 2.025 120.519 118.700 -0.345 0.000 3.112 626 N HA 0.092 4.832 4.740 -0.000 0.000 0.270 626 N C -0.814 174.613 175.510 -0.140 0.000 1.385 626 N CA -0.421 52.511 53.050 -0.197 0.000 0.986 626 N CB 0.229 38.678 38.487 -0.062 0.000 1.261 626 N HN 0.089 nan 8.380 nan 0.000 0.495 627 R N 2.437 122.848 120.500 -0.148 0.000 2.408 627 R HA 0.254 4.594 4.340 -0.000 0.000 0.308 627 R C -0.313 175.917 176.300 -0.117 0.000 1.210 627 R CA -0.405 55.628 56.100 -0.111 0.000 1.115 627 R CB 0.556 30.797 30.300 -0.099 0.000 1.127 627 R HN 0.351 nan 8.270 nan 0.000 0.523 628 L N 5.011 126.174 121.223 -0.100 0.000 2.319 628 L HA 0.250 4.590 4.340 -0.000 0.000 0.280 628 L C -1.838 174.991 176.870 -0.069 0.000 1.099 628 L CA -2.136 52.636 54.840 -0.112 0.000 0.828 628 L CB 0.498 42.505 42.059 -0.087 0.000 1.150 628 L HN 0.156 nan 8.230 nan 0.000 0.442 629 P HA -0.137 nan 4.420 nan 0.000 0.257 629 P C -0.327 176.959 177.300 -0.023 0.000 1.144 629 P CA 0.346 63.421 63.100 -0.043 0.000 0.761 629 P CB 0.106 31.779 31.700 -0.044 0.000 0.734 630 E N 2.521 122.713 120.200 -0.013 0.000 2.598 630 E HA -0.047 4.303 4.350 -0.000 0.000 0.273 630 E C 1.174 177.779 176.600 0.009 0.000 1.029 630 E CA 1.070 57.470 56.400 -0.001 0.000 0.985 630 E CB -0.250 29.449 29.700 -0.001 0.000 0.988 630 E HN 0.789 nan 8.360 nan 0.000 0.460 631 G N 0.537 109.347 108.800 0.016 0.000 2.314 631 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.292 631 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.292 631 G C -0.089 174.831 174.900 0.033 0.000 1.059 631 G CA 0.328 45.442 45.100 0.023 0.000 0.982 631 G HN 0.351 nan 8.290 nan 0.000 0.505 632 V N -0.317 119.622 119.914 0.041 0.000 2.581 632 V HA 0.750 4.870 4.120 -0.000 0.000 0.303 632 V C 1.129 177.268 176.094 0.075 0.000 1.041 632 V CA 0.103 62.439 62.300 0.061 0.000 0.907 632 V CB 1.804 33.666 31.823 0.066 0.000 0.994 632 V HN 0.765 nan 8.190 nan 0.000 0.442 633 T N -0.993 113.614 114.554 0.088 0.000 3.176 633 T HA 0.196 4.546 4.350 -0.000 0.000 0.263 633 T C 0.917 175.699 174.700 0.136 0.000 1.021 633 T CA 0.328 62.490 62.100 0.102 0.000 0.905 633 T CB -0.038 68.883 68.868 0.088 0.000 1.057 633 T HN 0.891 nan 8.240 nan 0.000 0.558 634 G N 1.659 110.554 108.800 0.159 0.000 2.690 634 G HA2 0.477 4.437 3.960 -0.000 0.000 0.294 634 G HA3 0.477 4.437 3.960 -0.000 0.000 0.294 634 G C 0.430 175.467 174.900 0.229 0.000 0.793 634 G CA -0.395 44.837 45.100 0.220 0.000 1.818 634 G HN 0.760 nan 8.290 nan 0.000 0.515 635 A N 2.823 125.729 122.820 0.143 0.000 2.522 635 A HA 0.353 4.673 4.320 -0.000 0.000 0.256 635 A C 0.272 177.811 177.584 -0.076 0.000 1.086 635 A CA -0.288 51.774 52.037 0.041 0.000 0.763 635 A CB 0.426 19.421 19.000 -0.008 0.000 1.024 635 A HN 0.813 nan 8.150 nan 0.000 0.502 636 L N 4.739 125.959 121.223 -0.004 0.000 2.281 636 L HA 0.474 4.814 4.340 -0.000 0.000 0.285 636 L C -0.315 176.437 176.870 -0.197 0.000 1.074 636 L CA 0.302 55.105 54.840 -0.063 0.000 0.817 636 L CB 1.026 43.186 42.059 0.167 0.000 1.168 636 L HN 0.406 nan 8.230 nan 0.000 0.434 637 V N 6.852 126.556 119.914 -0.349 0.000 2.398 637 V HA 0.481 4.601 4.120 -0.000 0.000 0.286 637 V C 0.128 176.095 176.094 -0.212 0.000 1.026 637 V CA -0.478 61.574 62.300 -0.415 0.000 0.868 637 V CB 1.472 32.846 31.823 -0.749 0.000 0.982 637 V HN 0.755 nan 8.190 nan 0.000 0.443 638 M N 4.538 124.073 119.600 -0.109 0.000 2.053 638 M HA 0.349 4.829 4.480 -0.000 0.000 0.297 638 M C -0.574 175.799 176.300 0.121 0.000 0.921 638 M CA -0.521 54.799 55.300 0.034 0.000 0.918 638 M CB 1.522 34.188 32.600 0.111 0.000 1.499 638 M HN 0.835 nan 8.290 nan 0.000 0.422 639 D N 0.878 121.349 120.400 0.119 0.000 2.463 639 D HA 0.223 4.863 4.640 -0.000 0.000 0.224 639 D C 0.776 177.187 176.300 0.185 0.000 1.174 639 D CA -0.207 53.942 54.000 0.248 0.000 0.829 639 D CB 0.302 41.274 40.800 0.286 0.000 0.993 639 D HN 0.530 nan 8.370 nan 0.000 0.497 640 G N -0.078 108.815 108.800 0.154 0.000 3.434 640 G HA2 0.684 4.644 3.960 -0.000 0.000 0.192 640 G HA3 0.684 4.644 3.960 -0.000 0.000 0.192 640 G C -0.425 174.497 174.900 0.037 0.000 1.704 640 G CA -0.029 45.131 45.100 0.099 0.000 0.936 640 G HN 0.495 nan 8.290 nan 0.000 0.623 641 A N -2.290 120.493 122.820 -0.062 0.000 2.588 641 A HA 0.902 5.222 4.320 -0.000 0.000 0.290 641 A C -1.152 176.330 177.584 -0.170 0.000 1.136 641 A CA 0.120 51.911 52.037 -0.409 0.000 0.681 641 A CB 1.170 20.024 19.000 -0.242 0.000 1.282 641 A HN 2.126 nan 8.150 nan 0.000 0.421 642 A N 0.179 122.864 122.820 -0.225 0.000 2.547 642 A HA 0.722 5.042 4.320 -0.000 0.000 0.297 642 A C -1.953 175.543 177.584 -0.145 0.000 1.056 642 A CA -0.154 51.875 52.037 -0.013 0.000 0.688 642 A CB 1.716 20.859 19.000 0.238 0.000 1.282 642 A HN 0.853 nan 8.150 nan 0.000 0.400 643 D N 2.006 122.371 120.400 -0.058 0.000 2.527 643 D HA 0.369 5.009 4.640 -0.000 0.000 0.242 643 D C -0.831 175.482 176.300 0.021 0.000 1.285 643 D CA 0.027 53.985 54.000 -0.070 0.000 0.886 643 D CB 0.372 41.125 40.800 -0.079 0.000 1.402 643 D HN 0.735 nan 8.370 nan 0.000 0.528 644 I N -0.791 119.837 120.570 0.096 0.000 2.693 644 I HA 0.538 4.707 4.170 -0.000 0.000 0.303 644 I C 1.059 177.261 176.117 0.141 0.000 1.025 644 I CA -0.761 60.630 61.300 0.151 0.000 1.086 644 I CB 2.233 40.383 38.000 0.251 0.000 1.268 644 I HN 0.020 nan 8.210 nan 0.000 0.440 645 S N 2.365 118.128 115.700 0.105 0.000 2.496 645 S HA 0.233 4.703 4.470 -0.000 0.000 0.224 645 S C 0.885 175.544 174.600 0.099 0.000 0.996 645 S CA 0.218 58.469 58.200 0.085 0.000 0.927 645 S CB -0.344 62.890 63.200 0.057 0.000 0.774 645 S HN 0.974 nan 8.310 nan 0.000 0.524 646 G N 0.505 109.377 108.800 0.120 0.000 2.890 646 G HA2 0.552 4.512 3.960 -0.000 0.000 0.189 646 G HA3 0.552 4.512 3.960 -0.000 0.000 0.189 646 G C -0.933 174.040 174.900 0.121 0.000 1.342 646 G CA -0.577 44.582 45.100 0.098 0.000 1.026 646 G HN 0.249 nan 8.290 nan 0.000 0.579 647 T N 0.243 114.833 114.554 0.060 0.000 2.867 647 T HA 0.409 4.759 4.350 -0.000 0.000 0.282 647 T C -1.243 173.434 174.700 -0.039 0.000 1.000 647 T CA -0.041 62.073 62.100 0.023 0.000 1.042 647 T CB 1.341 70.202 68.868 -0.011 0.000 0.973 647 T HN 0.246 nan 8.240 nan 0.000 0.465 648 F N 2.884 122.640 119.950 -0.324 0.000 2.371 648 F HA 0.382 4.909 4.527 -0.000 0.000 0.363 648 F C 0.320 175.939 175.800 -0.301 0.000 1.122 648 F CA -0.343 57.395 58.000 -0.437 0.000 1.129 648 F CB 0.655 39.042 39.000 -1.022 0.000 1.173 648 F HN 0.392 nan 8.300 nan 0.000 0.489 649 T N 5.458 119.796 114.554 -0.359 0.000 2.771 649 T HA 0.309 4.659 4.350 -0.000 0.000 0.281 649 T C -0.941 173.642 174.700 -0.196 0.000 0.982 649 T CA -0.504 61.480 62.100 -0.193 0.000 0.978 649 T CB 1.411 70.176 68.868 -0.171 0.000 0.930 649 T HN 0.616 nan 8.240 nan 0.000 0.447 650 Q N 2.395 122.177 119.800 -0.030 0.000 2.337 650 Q HA 0.422 4.762 4.340 -0.000 0.000 0.270 650 Q C -1.190 174.811 176.000 0.002 0.000 1.043 650 Q CA -0.591 55.222 55.803 0.017 0.000 0.794 650 Q CB 1.349 30.179 28.738 0.153 0.000 1.281 650 Q HN 0.563 nan 8.270 nan 0.000 0.446 651 E N 3.797 123.989 120.200 -0.014 0.000 2.187 651 E HA 0.410 4.760 4.350 -0.000 0.000 0.268 651 E C -0.728 175.877 176.600 0.008 0.000 0.896 651 E CA -0.821 55.575 56.400 -0.007 0.000 0.766 651 E CB 1.119 30.803 29.700 -0.027 0.000 1.142 651 E HN 0.768 nan 8.360 nan 0.000 0.408 652 N N 0.954 119.668 118.700 0.024 0.000 6.535 652 N HA -0.251 4.489 4.740 -0.000 0.000 0.409 652 N C 0.521 176.068 175.510 0.063 0.000 0.975 652 N CA 1.190 54.261 53.050 0.035 0.000 1.813 652 N CB -0.809 37.688 38.487 0.017 0.000 0.751 652 N HN 0.916 nan 8.380 nan 0.000 0.467 653 G N 0.378 109.220 108.800 0.070 0.000 2.566 653 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.280 653 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.280 653 G C -0.231 174.737 174.900 0.114 0.000 1.225 653 G CA 1.160 46.320 45.100 0.100 0.000 0.966 653 G HN 1.010 nan 8.290 nan 0.000 0.560 654 R N -1.222 119.361 120.500 0.138 0.000 2.651 654 R HA 0.657 4.997 4.340 -0.000 0.000 0.278 654 R C -1.861 174.521 176.300 0.137 0.000 1.010 654 R CA -0.862 55.318 56.100 0.132 0.000 0.896 654 R CB 1.521 31.896 30.300 0.126 0.000 1.211 654 R HN 1.012 nan 8.270 nan 0.000 0.456 655 L N 2.151 123.459 121.223 0.141 0.000 2.409 655 L HA 0.593 4.933 4.340 -0.000 0.000 0.272 655 L C -1.535 175.317 176.870 -0.030 0.000 0.980 655 L CA 0.107 55.030 54.840 0.138 0.000 0.826 655 L CB 2.563 44.811 42.059 0.315 0.000 1.268 655 L HN 0.648 nan 8.230 nan 0.000 0.407 656 T N 6.090 120.575 114.554 -0.116 0.000 2.879 656 T HA 0.612 4.962 4.350 -0.000 0.000 0.290 656 T C -0.736 173.816 174.700 -0.248 0.000 0.993 656 T CA -0.333 61.643 62.100 -0.208 0.000 0.975 656 T CB 1.047 69.891 68.868 -0.041 0.000 0.981 656 T HN 0.446 nan 8.240 nan 0.000 0.439 657 L N 4.516 125.518 121.223 -0.367 0.000 2.313 657 L HA 0.674 5.014 4.340 -0.000 0.000 0.283 657 L C 0.124 176.850 176.870 -0.240 0.000 1.013 657 L CA -0.839 53.654 54.840 -0.578 0.000 0.816 657 L CB 1.321 42.767 42.059 -1.022 0.000 1.236 657 L HN 0.688 nan 8.230 nan 0.000 0.419 658 Q N 1.897 121.714 119.800 0.028 0.000 2.615 658 Q HA 0.710 5.050 4.340 -0.000 0.000 0.298 658 Q C -0.293 175.955 176.000 0.414 0.000 1.023 658 Q CA -1.028 54.916 55.803 0.234 0.000 0.768 658 Q CB 1.693 30.588 28.738 0.261 0.000 1.500 658 Q HN 0.519 nan 8.270 nan 0.000 0.441 659 G N -0.358 108.672 108.800 0.383 0.000 2.611 659 G HA2 0.199 4.159 3.960 -0.000 0.000 0.273 659 G HA3 0.199 4.159 3.960 -0.000 0.000 0.273 659 G C -1.039 174.181 174.900 0.534 0.000 1.305 659 G CA -0.219 45.132 45.100 0.418 0.000 1.010 659 G HN 0.625 nan 8.290 nan 0.000 0.509 660 H N 0.468 119.689 119.070 0.251 0.000 2.823 660 H HA 0.342 4.898 4.556 -0.000 0.000 0.332 660 H C -2.490 172.621 175.328 -0.362 0.000 0.980 660 H CA -1.629 54.385 56.048 -0.057 0.000 1.286 660 H CB 2.568 32.252 29.762 -0.130 0.000 1.541 660 H HN 0.218 nan 8.280 nan 0.000 0.521 661 P HA -0.064 nan 4.420 nan 0.000 0.268 661 P C 0.017 176.737 177.300 -0.967 0.000 1.205 661 P CA -0.159 61.989 63.100 -1.587 0.000 0.771 661 P CB 1.173 31.883 31.700 -1.650 0.000 0.858 662 V N 5.463 125.049 119.914 -0.546 0.000 2.529 662 V HA -0.022 4.098 4.120 -0.000 0.000 0.292 662 V C 1.213 177.156 176.094 -0.251 0.000 1.028 662 V CA 0.038 62.161 62.300 -0.296 0.000 1.074 662 V CB -0.424 31.299 31.823 -0.168 0.000 0.958 662 V HN 0.389 nan 8.190 nan 0.000 0.481 663 I N 6.494 126.938 120.570 -0.209 0.000 2.668 663 I HA 0.083 4.253 4.170 -0.000 0.000 0.285 663 I C 0.667 176.699 176.117 -0.142 0.000 1.168 663 I CA 0.575 61.801 61.300 -0.124 0.000 1.424 663 I CB -0.140 37.831 38.000 -0.049 0.000 1.377 663 I HN 0.621 nan 8.210 nan 0.000 0.560 664 H N 4.292 123.348 119.070 -0.023 0.000 2.710 664 H HA 0.580 5.136 4.556 -0.000 0.000 0.361 664 H C -0.179 175.218 175.328 0.116 0.000 1.175 664 H CA -0.946 55.124 56.048 0.037 0.000 1.206 664 H CB 1.910 31.684 29.762 0.019 0.000 1.750 664 H HN 0.657 nan 8.280 nan 0.000 0.553 665 A N 1.261 124.212 122.820 0.219 0.000 2.366 665 A HA 0.421 4.741 4.320 -0.000 0.000 0.249 665 A C -0.980 176.730 177.584 0.210 0.000 1.084 665 A CA 0.070 52.187 52.037 0.134 0.000 0.794 665 A CB -0.175 18.850 19.000 0.042 0.000 1.034 665 A HN 0.652 nan 8.150 nan 0.000 0.491 666 Y N -1.460 118.839 120.300 -0.001 0.000 2.689 666 Y HA 0.717 5.267 4.550 -0.000 0.000 0.333 666 Y C -0.858 174.999 175.900 -0.072 0.000 1.208 666 Y CA -1.445 56.634 58.100 -0.036 0.000 1.055 666 Y CB 0.667 39.115 38.460 -0.019 0.000 1.304 666 Y HN 0.646 nan 8.280 nan 0.000 0.455 667 N N -0.849 117.859 118.700 0.012 0.000 2.701 667 N HA 0.577 5.317 4.740 -0.000 0.000 0.290 667 N C -1.137 174.420 175.510 0.079 0.000 1.338 667 N CA -0.645 52.332 53.050 -0.122 0.000 0.799 667 N CB 1.635 39.931 38.487 -0.319 0.000 1.491 667 N HN 0.897 nan 8.380 nan 0.000 0.540 668 T N -1.729 112.841 114.554 0.027 0.000 2.802 668 T HA -0.005 4.345 4.350 -0.000 0.000 0.305 668 T C 1.076 175.804 174.700 0.047 0.000 1.053 668 T CA 0.006 62.152 62.100 0.076 0.000 1.058 668 T CB 0.753 69.662 68.868 0.069 0.000 0.988 668 T HN 0.459 nan 8.240 nan 0.000 0.539 669 Q N 0.915 120.748 119.800 0.054 0.000 2.084 669 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 669 Q C 2.397 178.410 176.000 0.022 0.000 0.978 669 Q CA 2.335 58.160 55.803 0.036 0.000 0.844 669 Q CB -0.778 27.982 28.738 0.036 0.000 0.898 669 Q HN 0.911 nan 8.270 nan 0.000 0.426 670 S N -0.855 114.861 115.700 0.026 0.000 2.453 670 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 670 S C 1.906 176.509 174.600 0.005 0.000 1.005 670 S CA 0.898 59.111 58.200 0.020 0.000 0.949 670 S CB -0.728 62.491 63.200 0.030 0.000 0.774 670 S HN 0.384 nan 8.310 nan 0.000 0.510 671 V N 0.395 120.299 119.914 -0.016 0.000 2.488 671 V HA 0.223 4.343 4.120 -0.000 0.000 0.246 671 V C 2.578 178.616 176.094 -0.094 0.000 1.046 671 V CA 1.137 63.393 62.300 -0.073 0.000 1.053 671 V CB -1.417 30.290 31.823 -0.194 0.000 0.679 671 V HN 0.453 nan 8.190 nan 0.000 0.458 672 A N 0.700 123.480 122.820 -0.068 0.000 1.948 672 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 672 A C 1.881 179.448 177.584 -0.029 0.000 1.177 672 A CA 2.296 54.310 52.037 -0.039 0.000 0.636 672 A CB -0.896 18.103 19.000 -0.001 0.000 0.815 672 A HN 0.634 nan 8.150 nan 0.000 0.449 673 D N -0.699 119.692 120.400 -0.016 0.000 2.123 673 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 673 D C 1.889 178.171 176.300 -0.030 0.000 0.976 673 D CA 1.290 55.285 54.000 -0.008 0.000 0.831 673 D CB -0.262 40.543 40.800 0.008 0.000 0.974 673 D HN 0.502 nan 8.370 nan 0.000 0.469 674 K N 0.241 120.619 120.400 -0.037 0.000 2.009 674 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 674 K C 2.191 178.743 176.600 -0.081 0.000 1.049 674 K CA 0.816 57.075 56.287 -0.046 0.000 0.929 674 K CB -0.186 32.291 32.500 -0.039 0.000 0.714 674 K HN 0.028 nan 8.250 nan 0.000 0.440 675 L N 0.008 121.164 121.223 -0.112 0.000 2.083 675 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 675 L C 2.379 179.146 176.870 -0.172 0.000 1.083 675 L CA 1.404 56.159 54.840 -0.141 0.000 0.752 675 L CB -0.365 41.610 42.059 -0.140 0.000 0.899 675 L HN 0.255 nan 8.230 nan 0.000 0.433 676 A N -0.398 122.318 122.820 -0.173 0.000 1.930 676 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 676 A C 2.547 180.011 177.584 -0.200 0.000 1.175 676 A CA 1.389 53.238 52.037 -0.313 0.000 0.627 676 A CB -0.774 18.160 19.000 -0.109 0.000 0.815 676 A HN 0.368 nan 8.150 nan 0.000 0.443 677 A N 0.565 123.333 122.820 -0.087 0.000 1.903 677 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 677 A C 2.250 179.802 177.584 -0.053 0.000 1.191 677 A CA 2.413 54.423 52.037 -0.044 0.000 0.638 677 A CB -0.993 17.991 19.000 -0.026 0.000 0.823 677 A HN 1.121 nan 8.150 nan 0.000 0.451 678 S N -2.047 113.608 115.700 -0.075 0.000 2.660 678 S HA 0.428 4.898 4.470 -0.000 0.000 0.227 678 S C 1.229 175.789 174.600 -0.067 0.000 0.948 678 S CA 0.890 59.058 58.200 -0.053 0.000 0.948 678 S CB -0.278 62.895 63.200 -0.046 0.000 0.779 678 S HN 1.988 nan 8.310 nan 0.000 0.487 679 G N 0.921 109.644 108.800 -0.127 0.000 2.176 679 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 679 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 679 G C -0.290 174.482 174.900 -0.213 0.000 0.979 679 G CA 0.071 45.091 45.100 -0.134 0.000 0.641 679 G HN 0.611 nan 8.290 nan 0.000 0.530 680 D N 0.182 120.441 120.400 -0.235 0.000 2.317 680 D HA 0.468 5.108 4.640 -0.000 0.000 0.234 680 D C 0.737 176.873 176.300 -0.274 0.000 1.112 680 D CA -0.475 53.431 54.000 -0.156 0.000 0.840 680 D CB 0.207 40.987 40.800 -0.034 0.000 1.078 680 D HN 0.326 nan 8.370 nan 0.000 0.486 681 H N 1.625 120.719 119.070 0.040 0.000 2.505 681 H HA 0.081 4.637 4.556 -0.000 0.000 0.286 681 H C 1.324 176.669 175.328 0.027 0.000 1.072 681 H CA 0.151 56.216 56.048 0.027 0.000 1.141 681 H CB 0.466 30.240 29.762 0.020 0.000 1.550 681 H HN 0.351 nan 8.280 nan 0.000 0.547 682 S N -0.472 115.293 115.700 0.107 0.000 2.528 682 S HA 0.041 4.511 4.470 -0.000 0.000 0.219 682 S C 0.920 175.560 174.600 0.067 0.000 0.985 682 S CA -0.283 57.969 58.200 0.086 0.000 0.914 682 S CB -0.187 63.067 63.200 0.091 0.000 0.776 682 S HN -0.068 nan 8.310 nan 0.000 0.526 683 V N 3.566 123.520 119.914 0.067 0.000 2.470 683 V HA 0.272 4.392 4.120 -0.000 0.000 0.276 683 V C 0.311 176.429 176.094 0.039 0.000 1.040 683 V CA -0.394 61.937 62.300 0.051 0.000 1.008 683 V CB 0.457 32.298 31.823 0.031 0.000 0.990 683 V HN 0.444 nan 8.190 nan 0.000 0.477 684 L N 4.622 125.872 121.223 0.046 0.000 2.439 684 L HA 0.374 4.714 4.340 -0.000 0.000 0.261 684 L C 1.305 178.241 176.870 0.110 0.000 1.153 684 L CA -0.061 54.812 54.840 0.055 0.000 0.808 684 L CB 1.206 43.302 42.059 0.060 0.000 1.126 684 L HN 0.834 nan 8.230 nan 0.000 0.460 685 T N -2.831 111.752 114.554 0.048 0.000 3.043 685 T HA 0.185 4.535 4.350 -0.000 0.000 0.272 685 T C 0.012 174.562 174.700 -0.251 0.000 0.990 685 T CA -0.420 61.703 62.100 0.039 0.000 0.897 685 T CB 0.208 69.085 68.868 0.016 0.000 1.111 685 T HN 0.688 nan 8.240 nan 0.000 0.529 686 Q N 0.009 119.556 119.800 -0.423 0.000 2.522 686 Q HA 0.422 4.762 4.340 -0.000 0.000 0.285 686 Q C -2.865 172.825 176.000 -0.517 0.000 0.982 686 Q CA -2.004 53.340 55.803 -0.765 0.000 0.805 686 Q CB 1.583 30.081 28.738 -0.399 0.000 1.457 686 Q HN -0.127 nan 8.270 nan 0.000 0.394 687 P HA -0.063 nan 4.420 nan 0.000 0.222 687 P C 0.217 177.457 177.300 -0.102 0.000 1.153 687 P CA 1.285 64.340 63.100 -0.074 0.000 0.798 687 P CB 0.312 32.020 31.700 0.013 0.000 0.796 688 T N -3.776 110.646 114.554 -0.220 0.000 2.864 688 T HA 0.630 4.980 4.350 -0.000 0.000 0.299 688 T C -0.873 173.612 174.700 -0.359 0.000 1.166 688 T CA -0.807 61.107 62.100 -0.309 0.000 1.007 688 T CB 2.057 70.671 68.868 -0.423 0.000 1.219 688 T HN 0.069 nan 8.240 nan 0.000 0.506 689 S N -0.072 115.385 115.700 -0.405 0.000 2.543 689 S HA 0.512 4.982 4.470 -0.000 0.000 0.274 689 S C -0.386 174.074 174.600 -0.234 0.000 1.149 689 S CA -0.834 57.157 58.200 -0.348 0.000 0.866 689 S CB 0.710 63.804 63.200 -0.176 0.000 1.111 689 S HN 0.515 nan 8.310 nan 0.000 0.457 690 F N 2.583 122.578 119.950 0.074 0.000 2.171 690 F HA 0.015 4.542 4.527 -0.000 0.000 0.300 690 F C 2.798 178.733 175.800 0.224 0.000 1.090 690 F CA 1.586 59.705 58.000 0.197 0.000 1.293 690 F CB -0.419 38.639 39.000 0.097 0.000 1.013 690 F HN 0.764 nan 8.300 nan 0.000 0.486 691 S N -0.261 115.604 115.700 0.275 0.000 2.558 691 S HA -0.022 4.448 4.470 -0.000 0.000 0.217 691 S C 0.828 175.527 174.600 0.165 0.000 0.975 691 S CA -0.559 57.752 58.200 0.185 0.000 0.912 691 S CB -0.966 62.300 63.200 0.110 0.000 0.776 691 S HN 0.533 nan 8.310 nan 0.000 0.526 692 Q N 1.413 121.311 119.800 0.164 0.000 2.349 692 Q HA 0.113 4.453 4.340 -0.000 0.000 0.287 692 Q C 0.206 176.355 176.000 0.248 0.000 1.044 692 Q CA 0.070 55.941 55.803 0.113 0.000 0.918 692 Q CB 0.446 29.167 28.738 -0.028 0.000 1.242 692 Q HN 0.366 nan 8.270 nan 0.000 0.405 693 E N 1.702 121.992 120.200 0.150 0.000 2.358 693 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 693 E C -0.427 176.328 176.600 0.257 0.000 1.010 693 E CA 0.623 57.126 56.400 0.172 0.000 0.856 693 E CB 0.241 29.989 29.700 0.079 0.000 0.795 693 E HN 0.712 nan 8.360 nan 0.000 0.504 694 D N -0.325 120.214 120.400 0.231 0.000 2.349 694 D HA 0.209 4.849 4.640 -0.000 0.000 0.232 694 D C -0.834 175.553 176.300 0.143 0.000 1.071 694 D CA -0.496 53.617 54.000 0.189 0.000 0.832 694 D CB 0.365 41.229 40.800 0.107 0.000 1.086 694 D HN -0.116 nan 8.370 nan 0.000 0.504 695 W N 0.865 122.146 121.300 -0.032 0.000 3.032 695 W HA 0.298 4.958 4.660 -0.000 0.000 0.335 695 W C -0.140 176.351 176.519 -0.047 0.000 1.154 695 W CA -0.802 56.515 57.345 -0.047 0.000 1.204 695 W CB 1.595 31.038 29.460 -0.029 0.000 1.416 695 W HN 0.173 nan 8.180 nan 0.000 0.521 696 E N 2.280 122.558 120.200 0.130 0.000 2.283 696 E HA 0.206 4.556 4.350 -0.000 0.000 0.278 696 E C -0.296 176.348 176.600 0.073 0.000 1.027 696 E CA -0.713 55.712 56.400 0.041 0.000 0.843 696 E CB 0.706 30.360 29.700 -0.076 0.000 1.062 696 E HN 0.181 nan 8.360 nan 0.000 0.401 697 N N 3.193 121.905 118.700 0.020 0.000 2.513 697 N HA 0.168 4.908 4.740 -0.000 0.000 0.268 697 N C -0.273 175.205 175.510 -0.054 0.000 1.180 697 N CA -0.029 53.029 53.050 0.013 0.000 0.948 697 N CB 0.673 39.157 38.487 -0.005 0.000 1.083 697 N HN 0.247 nan 8.380 nan 0.000 0.455 698 R N 0.170 120.646 120.500 -0.041 0.000 2.854 698 R HA 0.525 4.865 4.340 -0.000 0.000 0.271 698 R C -0.572 175.584 176.300 -0.241 0.000 0.996 698 R CA -0.747 55.247 56.100 -0.176 0.000 0.961 698 R CB 1.503 31.705 30.300 -0.163 0.000 1.182 698 R HN 0.420 nan 8.270 nan 0.000 0.479 699 S N 1.130 116.552 115.700 -0.463 0.000 2.594 699 S HA 0.661 5.131 4.470 -0.000 0.000 0.296 699 S C -1.525 172.666 174.600 -0.682 0.000 1.124 699 S CA -0.541 57.434 58.200 -0.374 0.000 1.011 699 S CB 0.346 63.404 63.200 -0.238 0.000 1.016 699 S HN 0.332 nan 8.310 nan 0.000 0.485 700 F N 2.443 122.303 119.950 -0.150 0.000 2.427 700 F HA 0.472 4.999 4.527 -0.000 0.000 0.348 700 F C 0.625 176.115 175.800 -0.516 0.000 1.125 700 F CA -0.522 57.271 58.000 -0.345 0.000 0.989 700 F CB 2.148 41.002 39.000 -0.243 0.000 1.165 700 F HN 0.273 nan 8.300 nan 0.000 0.442 701 T N 4.483 118.707 114.554 -0.550 0.000 2.848 701 T HA 0.719 5.069 4.350 -0.000 0.000 0.285 701 T C -1.071 173.300 174.700 -0.549 0.000 0.995 701 T CA -0.644 61.177 62.100 -0.464 0.000 0.970 701 T CB 0.780 69.516 68.868 -0.219 0.000 0.976 701 T HN 0.272 nan 8.240 nan 0.000 0.441 702 F N 0.420 120.418 119.950 0.080 0.000 2.601 702 F HA 0.349 4.876 4.527 -0.000 0.000 0.309 702 F C 1.167 177.004 175.800 0.062 0.000 1.089 702 F CA -1.285 56.768 58.000 0.090 0.000 0.940 702 F CB 1.491 40.565 39.000 0.123 0.000 1.273 702 F HN 0.486 nan 8.300 nan 0.000 0.450 703 D N 0.849 121.402 120.400 0.254 0.000 2.133 703 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 703 D C 0.526 176.919 176.300 0.156 0.000 0.997 703 D CA 1.882 55.974 54.000 0.153 0.000 0.840 703 D CB 0.324 41.189 40.800 0.108 0.000 0.947 703 D HN 0.467 nan 8.370 nan 0.000 0.452 704 R N -1.009 119.600 120.500 0.181 0.000 2.535 704 R HA 0.403 4.743 4.340 -0.000 0.000 0.274 704 R C -2.251 174.090 176.300 0.068 0.000 1.090 704 R CA -0.778 55.391 56.100 0.116 0.000 0.930 704 R CB 0.930 31.266 30.300 0.061 0.000 1.223 704 R HN 0.051 nan 8.270 nan 0.000 0.441 705 L N 3.547 124.793 121.223 0.039 0.000 2.277 705 L HA 0.573 4.913 4.340 -0.000 0.000 0.284 705 L C -1.022 175.792 176.870 -0.093 0.000 1.028 705 L CA 0.228 55.009 54.840 -0.097 0.000 0.835 705 L CB 1.579 43.556 42.059 -0.137 0.000 1.215 705 L HN 0.644 nan 8.230 nan 0.000 0.425 706 S N 6.605 122.262 115.700 -0.073 0.000 2.420 706 S HA 0.665 5.135 4.470 -0.000 0.000 0.313 706 S C -0.610 173.955 174.600 -0.057 0.000 1.079 706 S CA -0.675 57.490 58.200 -0.058 0.000 1.104 706 S CB 0.037 63.210 63.200 -0.044 0.000 0.969 706 S HN 0.619 nan 8.310 nan 0.000 0.471 707 L N 4.214 125.398 121.223 -0.065 0.000 2.325 707 L HA 0.672 5.012 4.340 -0.000 0.000 0.278 707 L C -0.132 176.727 176.870 -0.017 0.000 1.023 707 L CA -0.805 54.012 54.840 -0.039 0.000 0.811 707 L CB 1.748 43.772 42.059 -0.059 0.000 1.249 707 L HN 0.594 nan 8.230 nan 0.000 0.431 708 K N 2.709 123.108 120.400 -0.001 0.000 2.615 708 K HA 0.290 4.610 4.320 -0.000 0.000 0.249 708 K C -0.624 175.984 176.600 0.014 0.000 0.977 708 K CA -0.478 55.810 56.287 0.001 0.000 0.833 708 K CB 0.767 33.262 32.500 -0.009 0.000 1.208 708 K HN 0.662 nan 8.250 nan 0.000 0.443 709 N N 0.974 119.685 118.700 0.018 0.000 2.741 709 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 709 N C -1.137 174.398 175.510 0.041 0.000 1.115 709 N CA 1.635 54.700 53.050 0.024 0.000 0.724 709 N CB -1.374 37.123 38.487 0.017 0.000 1.090 709 N HN 0.668 nan 8.380 nan 0.000 0.558 710 T N -0.153 114.434 114.554 0.056 0.000 2.925 710 T HA 0.306 4.656 4.350 -0.000 0.000 0.285 710 T C -0.101 174.663 174.700 0.106 0.000 1.021 710 T CA -0.658 61.495 62.100 0.088 0.000 1.042 710 T CB 2.616 71.551 68.868 0.112 0.000 1.037 710 T HN 0.010 nan 8.240 nan 0.000 0.481 711 D N 1.473 121.943 120.400 0.118 0.000 2.443 711 D HA 0.268 4.908 4.640 -0.000 0.000 0.221 711 D C -1.260 175.131 176.300 0.152 0.000 1.097 711 D CA -0.698 53.370 54.000 0.112 0.000 0.865 711 D CB -0.047 40.802 40.800 0.081 0.000 1.034 711 D HN 0.345 nan 8.370 nan 0.000 0.511 712 F N 2.794 122.757 119.950 0.022 0.000 2.450 712 F HA 0.709 5.236 4.527 -0.000 0.000 0.332 712 F C -0.050 175.755 175.800 0.008 0.000 1.093 712 F CA -0.366 57.642 58.000 0.013 0.000 1.003 712 F CB 1.807 40.808 39.000 0.001 0.000 1.151 712 F HN 0.271 nan 8.300 nan 0.000 0.474 713 G N 5.499 113.560 108.800 -1.233 0.000 2.638 713 G HA2 0.550 4.510 3.960 -0.000 0.000 0.302 713 G HA3 0.550 4.510 3.960 -0.000 0.000 0.302 713 G C -2.613 171.707 174.900 -0.966 0.000 1.365 713 G CA -0.773 43.832 45.100 -0.825 0.000 0.987 713 G HN 0.804 nan 8.290 nan 0.000 0.495 714 L N 2.747 123.666 121.223 -0.506 0.000 2.345 714 L HA 0.760 5.100 4.340 -0.000 0.000 0.274 714 L C 0.629 177.437 176.870 -0.103 0.000 0.999 714 L CA -0.265 54.435 54.840 -0.234 0.000 0.849 714 L CB 1.106 43.169 42.059 0.008 0.000 1.220 714 L HN 0.683 nan 8.230 nan 0.000 0.422 715 G N 3.775 112.535 108.800 -0.067 0.000 2.588 715 G HA2 0.378 4.338 3.960 -0.000 0.000 0.281 715 G HA3 0.378 4.338 3.960 -0.000 0.000 0.281 715 G C -0.546 174.342 174.900 -0.021 0.000 1.236 715 G CA -0.954 44.129 45.100 -0.030 0.000 0.969 715 G HN 0.891 nan 8.290 nan 0.000 0.504 716 R N -1.079 119.358 120.500 -0.105 0.000 2.697 716 R HA 0.085 4.425 4.340 -0.000 0.000 0.265 716 R C 0.059 176.306 176.300 -0.088 0.000 1.009 716 R CA 0.682 56.676 56.100 -0.177 0.000 1.099 716 R CB -0.155 29.887 30.300 -0.431 0.000 0.965 716 R HN 0.634 nan 8.270 nan 0.000 0.428 717 N N -1.310 117.358 118.700 -0.054 0.000 2.829 717 N HA -0.201 4.539 4.740 -0.000 0.000 0.250 717 N C -1.456 174.121 175.510 0.112 0.000 1.090 717 N CA 1.109 54.178 53.050 0.033 0.000 0.781 717 N CB -0.703 37.844 38.487 0.099 0.000 1.124 717 N HN 0.859 nan 8.380 nan 0.000 0.559 718 A N -0.516 122.382 122.820 0.130 0.000 2.386 718 A HA 0.792 5.112 4.320 -0.000 0.000 0.311 718 A C -0.014 177.677 177.584 0.178 0.000 1.068 718 A CA -0.283 51.887 52.037 0.223 0.000 0.743 718 A CB 1.456 20.690 19.000 0.390 0.000 1.258 718 A HN 0.044 nan 8.150 nan 0.000 0.429 719 T N 1.875 116.527 114.554 0.162 0.000 2.823 719 T HA 0.553 4.903 4.350 -0.000 0.000 0.279 719 T C -0.999 173.806 174.700 0.175 0.000 0.998 719 T CA -0.202 61.965 62.100 0.112 0.000 0.994 719 T CB 1.078 69.953 68.868 0.012 0.000 0.960 719 T HN 0.649 nan 8.240 nan 0.000 0.448 720 L N 3.970 125.296 121.223 0.171 0.000 2.349 720 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 720 L C -1.126 175.727 176.870 -0.028 0.000 0.996 720 L CA -0.472 54.484 54.840 0.193 0.000 0.825 720 L CB 1.266 43.581 42.059 0.427 0.000 1.243 720 L HN 0.505 nan 8.230 nan 0.000 0.412 721 N N 3.978 122.621 118.700 -0.095 0.000 2.524 721 N HA 0.527 5.267 4.740 -0.000 0.000 0.261 721 N C -0.915 174.542 175.510 -0.087 0.000 0.998 721 N CA -0.293 52.636 53.050 -0.201 0.000 0.915 721 N CB 2.000 40.384 38.487 -0.173 0.000 1.187 721 N HN 0.668 nan 8.380 nan 0.000 0.507 722 T N -0.201 114.320 114.554 -0.054 0.000 2.733 722 T HA 0.241 4.591 4.350 -0.000 0.000 0.312 722 T C -1.261 173.532 174.700 0.155 0.000 1.590 722 T CA -0.310 61.865 62.100 0.126 0.000 1.005 722 T CB 1.202 70.265 68.868 0.324 0.000 1.528 722 T HN 0.203 nan 8.240 nan 0.000 0.496 723 T N 2.931 117.576 114.554 0.152 0.000 2.729 723 T HA 0.508 4.858 4.350 -0.000 0.000 0.296 723 T C 0.233 175.022 174.700 0.147 0.000 0.928 723 T CA -0.205 61.987 62.100 0.154 0.000 1.045 723 T CB -0.321 68.605 68.868 0.096 0.000 0.902 723 T HN 0.359 nan 8.240 nan 0.000 0.500 724 I N 3.382 124.042 120.570 0.150 0.000 2.428 724 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 724 I C 0.477 176.601 176.117 0.012 0.000 1.019 724 I CA -0.411 60.908 61.300 0.032 0.000 1.351 724 I CB 1.190 39.163 38.000 -0.044 0.000 1.412 724 I HN 0.486 nan 8.210 nan 0.000 0.513 725 Q N 5.119 124.905 119.800 -0.022 0.000 2.397 725 Q HA 0.625 4.965 4.340 -0.000 0.000 0.260 725 Q C -1.334 174.646 176.000 -0.032 0.000 1.002 725 Q CA -0.421 55.374 55.803 -0.014 0.000 0.716 725 Q CB 1.702 30.435 28.738 -0.008 0.000 1.258 725 Q HN 0.803 nan 8.270 nan 0.000 0.477 726 A N 2.837 125.642 122.820 -0.026 0.000 2.337 726 A HA 0.654 4.974 4.320 -0.000 0.000 0.329 726 A C -1.282 176.295 177.584 -0.012 0.000 1.146 726 A CA -0.559 51.462 52.037 -0.026 0.000 0.800 726 A CB 1.350 20.335 19.000 -0.025 0.000 1.220 726 A HN 0.631 nan 8.150 nan 0.000 0.472 727 D N 1.640 122.035 120.400 -0.009 0.000 2.421 727 D HA 0.262 4.902 4.640 -0.000 0.000 0.254 727 D C 0.020 176.321 176.300 0.001 0.000 1.238 727 D CA -0.070 53.927 54.000 -0.005 0.000 0.919 727 D CB 0.286 41.081 40.800 -0.008 0.000 1.152 727 D HN 0.637 nan 8.370 nan 0.000 0.552 728 N N 2.038 120.739 118.700 0.003 0.000 2.740 728 N HA -0.210 4.530 4.740 -0.000 0.000 0.248 728 N C -1.528 173.992 175.510 0.016 0.000 1.062 728 N CA 1.151 54.206 53.050 0.008 0.000 0.704 728 N CB -0.950 37.541 38.487 0.006 0.000 0.968 728 N HN 0.191 nan 8.380 nan 0.000 0.547 729 S N -0.663 115.049 115.700 0.019 0.000 2.566 729 S HA 0.725 5.195 4.470 -0.000 0.000 0.298 729 S C -0.220 174.406 174.600 0.044 0.000 1.083 729 S CA -0.260 57.962 58.200 0.037 0.000 0.978 729 S CB 1.771 64.993 63.200 0.037 0.000 1.073 729 S HN 0.537 nan 8.310 nan 0.000 0.491 730 S N 0.284 116.023 115.700 0.064 0.000 2.617 730 S HA 0.767 5.237 4.470 -0.000 0.000 0.283 730 S C -0.497 174.175 174.600 0.120 0.000 1.189 730 S CA -0.739 57.500 58.200 0.065 0.000 1.036 730 S CB 1.423 64.650 63.200 0.045 0.000 1.014 730 S HN 1.106 nan 8.310 nan 0.000 0.522 731 V N 1.134 121.116 119.914 0.113 0.000 2.555 731 V HA 0.523 4.643 4.120 -0.000 0.000 0.283 731 V C -0.905 175.257 176.094 0.114 0.000 1.020 731 V CA -0.240 62.189 62.300 0.216 0.000 0.883 731 V CB 1.198 33.150 31.823 0.214 0.000 1.030 731 V HN 0.984 nan 8.190 nan 0.000 0.448 732 T N 8.460 123.051 114.554 0.061 0.000 2.762 732 T HA 0.527 4.877 4.350 -0.000 0.000 0.303 732 T C -0.089 174.602 174.700 -0.015 0.000 0.977 732 T CA -0.054 62.042 62.100 -0.007 0.000 0.961 732 T CB 0.503 69.345 68.868 -0.044 0.000 0.944 732 T HN 0.636 nan 8.240 nan 0.000 0.481 733 L N 3.194 124.431 121.223 0.024 0.000 2.259 733 L HA 0.555 4.895 4.340 -0.000 0.000 0.288 733 L C 1.069 177.967 176.870 0.047 0.000 1.051 733 L CA -0.416 54.464 54.840 0.067 0.000 0.824 733 L CB 0.629 42.770 42.059 0.136 0.000 1.206 733 L HN 0.935 nan 8.230 nan 0.000 0.429 734 G N 1.533 110.342 108.800 0.015 0.000 2.526 734 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.225 734 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.225 734 G C -0.463 174.408 174.900 -0.047 0.000 1.120 734 G CA -0.693 44.399 45.100 -0.012 0.000 0.904 734 G HN 0.621 nan 8.290 nan 0.000 0.498 735 D N 0.601 120.959 120.400 -0.070 0.000 2.312 735 D HA 0.450 5.090 4.640 -0.000 0.000 0.252 735 D C 1.803 178.050 176.300 -0.088 0.000 1.150 735 D CA 0.331 54.281 54.000 -0.084 0.000 0.870 735 D CB 1.110 41.843 40.800 -0.112 0.000 1.153 735 D HN 0.374 nan 8.370 nan 0.000 0.457 736 S N 3.445 119.088 115.700 -0.093 0.000 2.555 736 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 736 S C 0.711 175.229 174.600 -0.138 0.000 0.978 736 S CA 0.087 58.219 58.200 -0.113 0.000 0.934 736 S CB 0.069 63.204 63.200 -0.109 0.000 0.766 736 S HN 0.353 nan 8.310 nan 0.000 0.533 737 R N 1.577 121.998 120.500 -0.132 0.000 2.207 737 R HA 0.621 4.961 4.340 -0.000 0.000 0.334 737 R C -0.359 175.848 176.300 -0.155 0.000 1.013 737 R CA -0.271 55.712 56.100 -0.196 0.000 0.858 737 R CB 1.527 31.719 30.300 -0.180 0.000 1.094 737 R HN 0.317 nan 8.270 nan 0.000 0.457 738 V N -0.913 118.872 119.914 -0.214 0.000 3.167 738 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 738 V C -0.971 175.089 176.094 -0.056 0.000 1.207 738 V CA -1.203 61.122 62.300 0.041 0.000 1.059 738 V CB 1.783 33.760 31.823 0.257 0.000 1.079 738 V HN 0.432 nan 8.190 nan 0.000 0.446 739 F N 1.352 121.493 119.950 0.320 0.000 2.546 739 F HA 0.830 5.357 4.527 -0.000 0.000 0.320 739 F C 0.132 176.064 175.800 0.219 0.000 1.076 739 F CA -0.816 57.367 58.000 0.305 0.000 0.928 739 F CB 1.976 41.054 39.000 0.130 0.000 1.189 739 F HN 0.723 nan 8.300 nan 0.000 0.465 740 I N -1.152 119.566 120.570 0.247 0.000 2.797 740 I HA 0.634 4.804 4.170 -0.000 0.000 0.307 740 I C -1.285 174.880 176.117 0.079 0.000 1.033 740 I CA -0.861 60.422 61.300 -0.028 0.000 1.071 740 I CB 2.091 39.847 38.000 -0.406 0.000 1.255 740 I HN 0.352 nan 8.210 nan 0.000 0.445 741 D N 3.672 124.116 120.400 0.072 0.000 2.280 741 D HA 0.231 4.871 4.640 -0.000 0.000 0.236 741 D C 0.382 176.714 176.300 0.054 0.000 1.082 741 D CA -0.404 53.681 54.000 0.141 0.000 0.834 741 D CB 1.497 42.467 40.800 0.283 0.000 1.100 741 D HN 0.405 nan 8.370 nan 0.000 0.486 742 K N 2.781 123.214 120.400 0.055 0.000 2.486 742 K HA -0.038 4.282 4.320 -0.000 0.000 0.194 742 K C 0.631 177.229 176.600 -0.004 0.000 1.033 742 K CA 0.287 56.560 56.287 -0.024 0.000 1.004 742 K CB 0.073 32.564 32.500 -0.014 0.000 0.798 742 K HN 0.340 nan 8.250 nan 0.000 0.495 743 N N 0.986 119.738 118.700 0.087 0.000 2.177 743 N HA -0.037 4.703 4.740 -0.000 0.000 0.218 743 N C -0.791 174.806 175.510 0.145 0.000 1.182 743 N CA -0.099 53.027 53.050 0.126 0.000 0.882 743 N CB 0.413 38.989 38.487 0.147 0.000 1.052 743 N HN -0.080 nan 8.380 nan 0.000 0.519 744 D N -0.087 120.380 120.400 0.113 0.000 2.472 744 D HA 0.221 4.861 4.640 -0.000 0.000 0.248 744 D C 1.319 177.651 176.300 0.053 0.000 1.174 744 D CA 1.832 55.866 54.000 0.056 0.000 0.883 744 D CB 0.279 41.082 40.800 0.005 0.000 1.149 744 D HN 0.490 nan 8.370 nan 0.000 0.488 745 G N 3.680 112.501 108.800 0.035 0.000 2.234 745 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.235 745 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.235 745 G C 0.683 175.663 174.900 0.133 0.000 0.997 745 G CA 0.157 45.306 45.100 0.082 0.000 0.623 745 G HN 0.558 nan 8.290 nan 0.000 0.514 746 Q N 0.957 120.843 119.800 0.143 0.000 2.212 746 Q HA 0.463 4.803 4.340 -0.000 0.000 0.213 746 Q C 1.205 177.293 176.000 0.147 0.000 0.874 746 Q CA 0.772 56.661 55.803 0.144 0.000 0.965 746 Q CB 0.643 29.469 28.738 0.147 0.000 1.074 746 Q HN 1.875 nan 8.270 nan 0.000 0.473 747 G N 1.087 109.986 108.800 0.164 0.000 2.466 747 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.316 747 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.316 747 G C 0.576 175.598 174.900 0.204 0.000 1.270 747 G CA -0.114 45.093 45.100 0.178 0.000 0.982 747 G HN 0.151 nan 8.290 nan 0.000 0.506 748 T N -1.012 113.670 114.554 0.213 0.000 2.867 748 T HA 0.433 4.783 4.350 -0.000 0.000 0.268 748 T C 1.604 176.460 174.700 0.259 0.000 1.057 748 T CA 2.072 64.327 62.100 0.258 0.000 1.136 748 T CB -0.348 68.673 68.868 0.255 0.000 0.874 748 T HN 2.262 nan 8.240 nan 0.000 0.466 749 A N 1.994 124.916 122.820 0.171 0.000 2.498 749 A HA 0.517 4.837 4.320 -0.000 0.000 0.239 749 A C -0.066 177.615 177.584 0.161 0.000 1.068 749 A CA -0.543 51.543 52.037 0.082 0.000 0.766 749 A CB -0.538 18.487 19.000 0.041 0.000 1.003 749 A HN 0.742 nan 8.150 nan 0.000 0.497 750 F N -0.780 119.202 119.950 0.052 0.000 2.613 750 F HA 0.800 5.327 4.527 -0.000 0.000 0.314 750 F C -0.439 175.376 175.800 0.025 0.000 1.075 750 F CA -0.880 57.145 58.000 0.040 0.000 0.945 750 F CB 1.592 40.583 39.000 -0.014 0.000 1.310 750 F HN 0.273 nan 8.300 nan 0.000 0.467 751 T N 3.873 118.600 114.554 0.288 0.000 2.963 751 T HA 0.385 4.735 4.350 -0.000 0.000 0.328 751 T C -0.582 174.286 174.700 0.280 0.000 1.048 751 T CA -0.395 61.823 62.100 0.196 0.000 1.033 751 T CB 0.710 69.637 68.868 0.099 0.000 1.010 751 T HN 0.655 nan 8.240 nan 0.000 0.469 752 L N 3.219 124.655 121.223 0.355 0.000 2.462 752 L HA 0.315 4.655 4.340 -0.000 0.000 0.272 752 L C 0.678 177.717 176.870 0.281 0.000 1.166 752 L CA 0.200 55.224 54.840 0.306 0.000 0.880 752 L CB 0.529 42.769 42.059 0.302 0.000 1.142 752 L HN 0.609 nan 8.230 nan 0.000 0.473 753 E N 3.736 124.112 120.200 0.293 0.000 2.210 753 E HA 0.215 4.565 4.350 -0.000 0.000 0.266 753 E C -1.086 175.708 176.600 0.324 0.000 0.883 753 E CA -0.714 55.852 56.400 0.277 0.000 0.761 753 E CB 1.786 31.625 29.700 0.231 0.000 1.156 753 E HN 0.573 nan 8.360 nan 0.000 0.412 754 E N 2.719 122.970 120.200 0.085 0.000 2.249 754 E HA 0.567 4.917 4.350 -0.000 0.000 0.280 754 E C -0.541 175.829 176.600 -0.383 0.000 1.016 754 E CA -0.387 55.786 56.400 -0.379 0.000 0.830 754 E CB 1.198 30.568 29.700 -0.550 0.000 1.081 754 E HN 0.594 nan 8.360 nan 0.000 0.395 755 G N 1.730 110.039 108.800 -0.818 0.000 2.815 755 G HA2 0.411 4.371 3.960 -0.000 0.000 0.305 755 G HA3 0.411 4.371 3.960 -0.000 0.000 0.305 755 G C -1.177 173.166 174.900 -0.928 0.000 1.277 755 G CA -0.563 43.753 45.100 -1.308 0.000 0.795 755 G HN 0.453 nan 8.290 nan 0.000 0.528 756 T N 0.441 114.505 114.554 -0.816 0.000 2.841 756 T HA 0.664 5.014 4.350 -0.000 0.000 0.285 756 T C -0.904 173.658 174.700 -0.229 0.000 0.991 756 T CA -0.287 61.578 62.100 -0.391 0.000 0.966 756 T CB 1.355 70.063 68.868 -0.268 0.000 0.962 756 T HN 0.635 nan 8.240 nan 0.000 0.438 757 S N 2.624 118.250 115.700 -0.124 0.000 2.677 757 S HA 0.586 5.056 4.470 -0.000 0.000 0.283 757 S C -1.007 173.498 174.600 -0.159 0.000 1.159 757 S CA -0.520 57.639 58.200 -0.068 0.000 1.001 757 S CB 0.839 64.074 63.200 0.058 0.000 1.032 757 S HN 0.458 nan 8.310 nan 0.000 0.487 758 V N 4.510 124.339 119.914 -0.143 0.000 2.347 758 V HA 0.636 4.756 4.120 -0.000 0.000 0.280 758 V C 0.663 176.658 176.094 -0.166 0.000 1.021 758 V CA -0.726 61.490 62.300 -0.140 0.000 0.847 758 V CB 1.059 32.824 31.823 -0.097 0.000 0.990 758 V HN 1.053 nan 8.190 nan 0.000 0.444 759 A N 3.871 126.578 122.820 -0.189 0.000 2.515 759 A HA 0.398 4.718 4.320 -0.000 0.000 0.263 759 A C 1.246 178.764 177.584 -0.110 0.000 1.096 759 A CA 0.608 52.539 52.037 -0.177 0.000 0.769 759 A CB 0.018 18.922 19.000 -0.160 0.000 1.040 759 A HN 1.041 nan 8.150 nan 0.000 0.505 760 T N 0.341 114.839 114.554 -0.093 0.000 3.000 760 T HA 0.186 4.535 4.350 -0.000 0.000 0.248 760 T C 0.644 175.314 174.700 -0.050 0.000 1.034 760 T CA 0.301 62.364 62.100 -0.063 0.000 1.060 760 T CB -0.056 68.780 68.868 -0.052 0.000 0.983 760 T HN 0.583 nan 8.240 nan 0.000 0.482 761 K N 1.734 122.103 120.400 -0.053 0.000 2.144 761 K HA 0.313 4.633 4.320 -0.000 0.000 0.270 761 K C 0.141 176.717 176.600 -0.039 0.000 1.005 761 K CA -0.566 55.697 56.287 -0.039 0.000 0.932 761 K CB 1.029 33.509 32.500 -0.033 0.000 1.021 761 K HN -0.136 nan 8.250 nan 0.000 0.462 762 D N 1.737 122.120 120.400 -0.027 0.000 2.149 762 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 762 D C 1.694 177.981 176.300 -0.021 0.000 0.990 762 D CA 1.422 55.410 54.000 -0.021 0.000 0.839 762 D CB -0.079 40.713 40.800 -0.014 0.000 0.948 762 D HN 0.673 nan 8.370 nan 0.000 0.460 763 A N 0.678 123.485 122.820 -0.021 0.000 1.972 763 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 763 A C 1.601 179.172 177.584 -0.022 0.000 1.169 763 A CA 1.473 53.500 52.037 -0.017 0.000 0.635 763 A CB -0.181 18.812 19.000 -0.011 0.000 0.810 763 A HN 0.073 nan 8.150 nan 0.000 0.446 764 D N -0.251 120.123 120.400 -0.044 0.000 2.340 764 D HA 0.058 4.698 4.640 -0.000 0.000 0.220 764 D C 0.205 176.453 176.300 -0.086 0.000 1.039 764 D CA 0.359 54.312 54.000 -0.079 0.000 0.866 764 D CB 0.070 40.783 40.800 -0.145 0.000 0.913 764 D HN 0.405 nan 8.370 nan 0.000 0.523 765 K N 1.583 121.953 120.400 -0.051 0.000 2.368 765 K HA 0.140 4.460 4.320 -0.000 0.000 0.282 765 K C 0.506 177.104 176.600 -0.004 0.000 1.035 765 K CA -0.225 56.040 56.287 -0.036 0.000 0.973 765 K CB 0.947 33.437 32.500 -0.016 0.000 0.957 765 K HN -0.032 nan 8.250 nan 0.000 0.474 766 S N 0.898 116.602 115.700 0.006 0.000 2.566 766 S HA 0.118 4.588 4.470 -0.000 0.000 0.280 766 S C 0.095 174.749 174.600 0.090 0.000 1.343 766 S CA -0.927 57.307 58.200 0.057 0.000 1.036 766 S CB 0.720 63.961 63.200 0.068 0.000 0.866 766 S HN 0.279 nan 8.310 nan 0.000 0.526 767 V N 2.548 122.531 119.914 0.115 0.000 2.623 767 V HA 0.560 4.680 4.120 -0.000 0.000 0.304 767 V C -1.051 175.134 176.094 0.152 0.000 1.054 767 V CA -0.703 61.660 62.300 0.105 0.000 0.882 767 V CB 1.473 33.316 31.823 0.034 0.000 1.002 767 V HN 0.882 nan 8.190 nan 0.000 0.424 768 F N 5.331 125.288 119.950 0.011 0.000 2.493 768 F HA 0.658 5.185 4.527 -0.000 0.000 0.329 768 F C -0.275 175.407 175.800 -0.197 0.000 1.126 768 F CA -0.290 57.681 58.000 -0.048 0.000 0.937 768 F CB 1.574 40.580 39.000 0.010 0.000 1.146 768 F HN 0.486 nan 8.300 nan 0.000 0.442 769 N N 4.252 122.264 118.700 -1.146 0.000 2.284 769 N HA 0.760 5.500 4.740 -0.000 0.000 0.300 769 N C -0.218 174.534 175.510 -1.262 0.000 1.047 769 N CA -0.208 52.248 53.050 -0.989 0.000 0.821 769 N CB 1.966 40.168 38.487 -0.474 0.000 1.337 769 N HN 1.065 nan 8.380 nan 0.000 0.482 770 G N 0.204 108.554 108.800 -0.751 0.000 2.293 770 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.282 770 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.282 770 G C -1.404 173.520 174.900 0.040 0.000 1.299 770 G CA -0.822 44.092 45.100 -0.311 0.000 1.018 770 G HN 0.430 nan 8.290 nan 0.000 0.478 771 T N 0.244 114.902 114.554 0.173 0.000 2.867 771 T HA 0.583 4.933 4.350 -0.000 0.000 0.282 771 T C 0.023 174.893 174.700 0.284 0.000 1.000 771 T CA -0.310 61.920 62.100 0.216 0.000 1.042 771 T CB 1.740 70.684 68.868 0.126 0.000 0.973 771 T HN 0.984 nan 8.240 nan 0.000 0.465 772 V N 4.501 124.562 119.914 0.245 0.000 2.328 772 V HA 0.333 4.453 4.120 -0.000 0.000 0.278 772 V C -0.096 176.055 176.094 0.094 0.000 1.021 772 V CA -1.102 61.281 62.300 0.139 0.000 0.838 772 V CB 0.798 32.682 31.823 0.102 0.000 0.999 772 V HN 0.761 nan 8.190 nan 0.000 0.447 773 N N 5.950 124.686 118.700 0.059 0.000 2.420 773 N HA 0.487 5.227 4.740 -0.000 0.000 0.249 773 N C -0.840 174.679 175.510 0.015 0.000 1.033 773 N CA -0.152 52.918 53.050 0.034 0.000 0.944 773 N CB 1.991 40.495 38.487 0.028 0.000 1.113 773 N HN 0.551 nan 8.380 nan 0.000 0.502 774 L N 2.131 123.361 121.223 0.012 0.000 2.313 774 L HA 0.454 4.794 4.340 -0.000 0.000 0.283 774 L C -0.516 176.353 176.870 -0.002 0.000 1.013 774 L CA -0.704 54.137 54.840 0.003 0.000 0.816 774 L CB 1.417 43.478 42.059 0.003 0.000 1.236 774 L HN 0.272 nan 8.230 nan 0.000 0.419 775 D N 1.549 121.946 120.400 -0.004 0.000 2.645 775 D HA 0.273 4.913 4.640 -0.000 0.000 0.228 775 D C -0.331 175.966 176.300 -0.005 0.000 1.148 775 D CA -0.279 53.717 54.000 -0.006 0.000 0.860 775 D CB 1.469 42.265 40.800 -0.006 0.000 1.548 775 D HN 0.415 nan 8.370 nan 0.000 0.460 776 N N 2.010 120.706 118.700 -0.006 0.000 2.753 776 N HA -0.220 4.520 4.740 -0.000 0.000 0.252 776 N C -0.719 174.790 175.510 -0.003 0.000 1.071 776 N CA 0.727 53.775 53.050 -0.005 0.000 0.690 776 N CB -0.597 37.887 38.487 -0.004 0.000 0.906 776 N HN 0.453 nan 8.380 nan 0.000 0.552 777 Q N -2.841 116.957 119.800 -0.003 0.000 2.464 777 Q HA -0.141 4.199 4.340 -0.000 0.000 0.246 777 Q C -0.338 175.663 176.000 0.001 0.000 0.763 777 Q CA 1.241 57.043 55.803 -0.001 0.000 1.233 777 Q CB -2.320 26.418 28.738 0.000 0.000 1.361 777 Q HN 0.662 nan 8.270 nan 0.000 0.699 778 S N -0.193 115.508 115.700 0.001 0.000 2.579 778 S HA 0.484 4.954 4.470 -0.000 0.000 0.275 778 S C 0.460 175.061 174.600 0.001 0.000 1.345 778 S CA -0.244 57.959 58.200 0.004 0.000 1.031 778 S CB 1.310 64.511 63.200 0.002 0.000 0.892 778 S HN 0.163 nan 8.310 nan 0.000 0.529 779 V N 3.310 123.227 119.914 0.006 0.000 2.588 779 V HA 0.495 4.615 4.120 -0.000 0.000 0.304 779 V C -0.892 175.203 176.094 0.000 0.000 1.042 779 V CA -0.771 61.529 62.300 -0.000 0.000 0.877 779 V CB 1.533 33.357 31.823 0.002 0.000 0.996 779 V HN 0.647 nan 8.190 nan 0.000 0.425 780 L N 4.928 126.141 121.223 -0.017 0.000 2.319 780 L HA 0.651 4.991 4.340 -0.000 0.000 0.281 780 L C -0.581 176.257 176.870 -0.053 0.000 1.005 780 L CA -0.004 54.817 54.840 -0.031 0.000 0.828 780 L CB 1.586 43.617 42.059 -0.048 0.000 1.227 780 L HN 0.598 nan 8.230 nan 0.000 0.415 781 N N 6.700 125.375 118.700 -0.042 0.000 2.476 781 N HA 0.417 5.157 4.740 -0.000 0.000 0.257 781 N C -0.936 174.533 175.510 -0.068 0.000 0.970 781 N CA -0.166 52.852 53.050 -0.054 0.000 0.938 781 N CB 1.941 40.408 38.487 -0.034 0.000 1.144 781 N HN 0.582 nan 8.380 nan 0.000 0.500 782 I N 2.282 122.785 120.570 -0.113 0.000 2.310 782 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 782 I C 0.054 176.136 176.117 -0.057 0.000 1.073 782 I CA -0.377 60.853 61.300 -0.116 0.000 1.216 782 I CB -0.047 37.770 38.000 -0.307 0.000 1.415 782 I HN 0.329 nan 8.210 nan 0.000 0.480 783 N N 4.240 122.931 118.700 -0.015 0.000 2.389 783 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 783 N C -0.652 174.870 175.510 0.019 0.000 1.191 783 N CA -0.501 52.543 53.050 -0.009 0.000 0.885 783 N CB 0.337 38.809 38.487 -0.026 0.000 1.162 783 N HN 0.574 nan 8.380 nan 0.000 0.512 784 D N -0.513 119.927 120.400 0.068 0.000 3.076 784 D HA 0.245 4.885 4.640 -0.000 0.000 0.301 784 D C -0.588 175.796 176.300 0.140 0.000 1.260 784 D CA -0.763 53.292 54.000 0.092 0.000 1.027 784 D CB 0.461 41.325 40.800 0.107 0.000 1.370 784 D HN -0.105 nan 8.370 nan 0.000 0.602 785 I N 0.644 121.299 120.570 0.142 0.000 2.294 785 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 785 I C -0.676 175.578 176.117 0.228 0.000 1.098 785 I CA -0.443 60.945 61.300 0.146 0.000 1.277 785 I CB -0.213 37.834 38.000 0.078 0.000 1.434 785 I HN 0.144 nan 8.210 nan 0.000 0.498 786 F N 7.354 127.367 119.950 0.106 0.000 2.469 786 F HA 0.487 5.014 4.527 -0.000 0.000 0.332 786 F C -0.205 175.677 175.800 0.137 0.000 1.103 786 F CA -0.507 57.599 58.000 0.176 0.000 0.979 786 F CB 1.179 40.276 39.000 0.161 0.000 1.137 786 F HN 0.335 nan 8.300 nan 0.000 0.463 787 N N 3.951 122.464 118.700 -0.312 0.000 2.607 787 N HA 0.523 5.263 4.740 -0.000 0.000 0.271 787 N C -1.023 174.228 175.510 -0.432 0.000 1.142 787 N CA -0.136 52.785 53.050 -0.214 0.000 0.810 787 N CB 1.569 39.983 38.487 -0.121 0.000 1.306 787 N HN 0.993 nan 8.380 nan 0.000 0.536 788 G N 0.002 108.648 108.800 -0.257 0.000 2.506 788 G HA2 0.528 4.488 3.960 -0.000 0.000 0.292 788 G HA3 0.528 4.488 3.960 -0.000 0.000 0.292 788 G C -1.027 174.036 174.900 0.272 0.000 1.425 788 G CA -0.545 44.516 45.100 -0.064 0.000 0.788 788 G HN 0.386 nan 8.290 nan 0.000 0.490 789 G N -1.242 107.695 108.800 0.228 0.000 2.462 789 G HA2 0.632 4.591 3.960 -0.000 0.000 0.319 789 G HA3 0.632 4.591 3.960 -0.000 0.000 0.319 789 G C -0.728 174.332 174.900 0.267 0.000 1.171 789 G CA -0.717 44.528 45.100 0.242 0.000 0.920 789 G HN 0.637 nan 8.290 nan 0.000 0.499 790 I N 0.902 121.601 120.570 0.214 0.000 2.418 790 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 790 I C -0.850 175.314 176.117 0.078 0.000 1.008 790 I CA -0.728 60.669 61.300 0.162 0.000 1.104 790 I CB 2.122 40.216 38.000 0.157 0.000 1.264 790 I HN 0.155 nan 8.210 nan 0.000 0.438 791 Q N 5.997 125.832 119.800 0.059 0.000 2.394 791 Q HA 0.655 4.995 4.340 -0.000 0.000 0.259 791 Q C -0.719 175.286 176.000 0.008 0.000 1.021 791 Q CA -0.430 55.384 55.803 0.018 0.000 0.805 791 Q CB 2.182 30.932 28.738 0.020 0.000 1.226 791 Q HN 0.714 nan 8.270 nan 0.000 0.476 792 A N 3.595 126.408 122.820 -0.013 0.000 2.343 792 A HA 0.598 4.918 4.320 -0.000 0.000 0.308 792 A C -0.670 176.899 177.584 -0.025 0.000 1.092 792 A CA -0.715 51.315 52.037 -0.013 0.000 0.751 792 A CB 1.034 20.028 19.000 -0.009 0.000 1.203 792 A HN 0.681 nan 8.150 nan 0.000 0.452 793 N N 2.525 121.215 118.700 -0.018 0.000 2.354 793 N HA 0.215 4.955 4.740 -0.000 0.000 0.287 793 N C -0.836 174.665 175.510 -0.016 0.000 1.016 793 N CA -0.435 52.603 53.050 -0.020 0.000 0.871 793 N CB 0.671 39.147 38.487 -0.018 0.000 1.299 793 N HN 0.635 nan 8.380 nan 0.000 0.482 794 N N 1.455 120.144 118.700 -0.018 0.000 2.727 794 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 794 N C -1.286 174.217 175.510 -0.011 0.000 1.040 794 N CA 0.918 53.959 53.050 -0.014 0.000 0.712 794 N CB -0.979 37.501 38.487 -0.012 0.000 0.912 794 N HN 0.520 nan 8.380 nan 0.000 0.545 795 S N -1.557 114.136 115.700 -0.012 0.000 2.929 795 S HA 0.737 5.207 4.470 -0.000 0.000 0.311 795 S C -0.398 174.196 174.600 -0.011 0.000 1.213 795 S CA -0.549 57.645 58.200 -0.009 0.000 0.908 795 S CB 2.226 65.422 63.200 -0.007 0.000 1.287 795 S HN 0.149 nan 8.310 nan 0.000 0.594 796 T N 1.100 115.648 114.554 -0.011 0.000 2.916 796 T HA 0.662 5.012 4.350 -0.000 0.000 0.305 796 T C -1.463 173.227 174.700 -0.017 0.000 1.119 796 T CA -0.597 61.495 62.100 -0.014 0.000 1.008 796 T CB 1.765 70.624 68.868 -0.015 0.000 1.129 796 T HN 0.707 nan 8.240 nan 0.000 0.480 797 V N 2.409 122.310 119.914 -0.021 0.000 2.588 797 V HA 0.714 4.834 4.120 -0.000 0.000 0.304 797 V C -1.531 174.532 176.094 -0.050 0.000 1.042 797 V CA -0.668 61.608 62.300 -0.040 0.000 0.877 797 V CB 1.734 33.529 31.823 -0.045 0.000 0.996 797 V HN 0.854 nan 8.190 nan 0.000 0.425 798 N N 6.214 124.875 118.700 -0.065 0.000 2.321 798 N HA 0.629 5.369 4.740 -0.000 0.000 0.299 798 N C -1.147 174.309 175.510 -0.089 0.000 1.048 798 N CA -0.255 52.757 53.050 -0.064 0.000 0.836 798 N CB 2.517 40.975 38.487 -0.049 0.000 1.269 798 N HN 0.710 nan 8.380 nan 0.000 0.486 799 I N 1.010 121.529 120.570 -0.086 0.000 2.418 799 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 799 I C 0.738 176.814 176.117 -0.067 0.000 1.008 799 I CA -0.362 60.880 61.300 -0.097 0.000 1.104 799 I CB 1.661 39.592 38.000 -0.115 0.000 1.264 799 I HN 0.549 nan 8.210 nan 0.000 0.438 800 S N 1.656 117.321 115.700 -0.059 0.000 2.603 800 S HA 0.113 4.583 4.470 -0.000 0.000 0.232 800 S C 0.595 175.173 174.600 -0.036 0.000 1.016 800 S CA -0.471 57.702 58.200 -0.044 0.000 0.976 800 S CB 0.355 63.531 63.200 -0.040 0.000 0.921 800 S HN 0.554 nan 8.310 nan 0.000 0.516 801 S N 2.819 118.498 115.700 -0.036 0.000 2.564 801 S HA 0.197 4.667 4.470 -0.000 0.000 0.278 801 S C 0.514 175.107 174.600 -0.012 0.000 1.333 801 S CA -0.095 58.096 58.200 -0.016 0.000 1.048 801 S CB 0.509 63.711 63.200 0.002 0.000 0.900 801 S HN 0.487 nan 8.310 nan 0.000 0.505 802 D N 1.778 122.176 120.400 -0.004 0.000 2.358 802 D HA 0.142 4.782 4.640 -0.000 0.000 0.224 802 D C -0.397 175.910 176.300 0.011 0.000 1.123 802 D CA -0.303 53.694 54.000 -0.004 0.000 0.833 802 D CB -0.195 40.599 40.800 -0.010 0.000 0.946 802 D HN 0.225 nan 8.370 nan 0.000 0.505 803 S N -0.190 115.528 115.700 0.031 0.000 2.486 803 S HA 0.612 5.082 4.470 -0.000 0.000 0.144 803 S C -0.603 174.058 174.600 0.102 0.000 1.542 803 S CA -0.824 57.408 58.200 0.053 0.000 1.262 803 S CB 0.894 64.124 63.200 0.051 0.000 1.462 803 S HN 0.472 nan 8.310 nan 0.000 0.381 804 A N 1.442 124.319 122.820 0.096 0.000 2.330 804 A HA 0.827 5.147 4.320 -0.000 0.000 0.313 804 A C -0.589 177.094 177.584 0.164 0.000 1.124 804 A CA -0.693 51.444 52.037 0.166 0.000 0.774 804 A CB 1.071 20.093 19.000 0.037 0.000 1.198 804 A HN 0.444 nan 8.150 nan 0.000 0.465 805 V N 4.469 124.540 119.914 0.262 0.000 2.350 805 V HA 0.300 4.420 4.120 -0.000 0.000 0.285 805 V C -0.254 176.022 176.094 0.303 0.000 1.014 805 V CA -0.224 62.195 62.300 0.199 0.000 0.831 805 V CB 0.976 32.878 31.823 0.131 0.000 1.000 805 V HN 0.775 nan 8.190 nan 0.000 0.433 806 L N 4.441 125.813 121.223 0.247 0.000 2.305 806 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 806 L C 1.164 178.178 176.870 0.239 0.000 1.085 806 L CA -0.011 55.014 54.840 0.309 0.000 0.813 806 L CB 1.010 43.220 42.059 0.251 0.000 1.157 806 L HN 0.710 nan 8.230 nan 0.000 0.436 807 G N 1.565 110.505 108.800 0.233 0.000 2.509 807 G HA2 0.065 4.025 3.960 -0.000 0.000 0.269 807 G HA3 0.065 4.025 3.960 -0.000 0.000 0.269 807 G C -0.184 174.823 174.900 0.179 0.000 1.416 807 G CA -0.700 44.499 45.100 0.165 0.000 1.052 807 G HN 0.666 nan 8.290 nan 0.000 0.542 808 N N -0.164 118.618 118.700 0.136 0.000 2.315 808 N HA 0.165 4.905 4.740 -0.000 0.000 0.270 808 N C -0.533 175.045 175.510 0.114 0.000 1.329 808 N CA 0.653 53.777 53.050 0.122 0.000 0.860 808 N CB 0.231 38.769 38.487 0.085 0.000 1.095 808 N HN 0.325 nan 8.380 nan 0.000 0.487 809 S N 1.177 116.937 115.700 0.101 0.000 2.549 809 S HA 0.614 5.084 4.470 -0.000 0.000 0.280 809 S C -0.896 173.596 174.600 -0.179 0.000 1.109 809 S CA -0.821 57.396 58.200 0.029 0.000 0.905 809 S CB 2.103 65.397 63.200 0.157 0.000 1.081 809 S HN 0.414 nan 8.310 nan 0.000 0.477 810 T N 2.474 116.921 114.554 -0.179 0.000 2.937 810 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 810 T C -1.522 173.061 174.700 -0.194 0.000 0.991 810 T CA -0.390 61.571 62.100 -0.232 0.000 0.990 810 T CB 0.751 69.537 68.868 -0.136 0.000 0.991 810 T HN 0.267 nan 8.240 nan 0.000 0.440 811 L N 3.195 124.269 121.223 -0.248 0.000 2.372 811 L HA 0.534 4.874 4.340 -0.000 0.000 0.274 811 L C 0.131 176.929 176.870 -0.119 0.000 0.988 811 L CA -0.263 54.485 54.840 -0.153 0.000 0.833 811 L CB 1.965 43.936 42.059 -0.148 0.000 1.236 811 L HN 0.612 nan 8.230 nan 0.000 0.410 812 T N 0.911 115.419 114.554 -0.076 0.000 2.771 812 T HA 0.348 4.697 4.350 -0.000 0.000 0.281 812 T C 0.272 174.947 174.700 -0.042 0.000 0.982 812 T CA -0.586 61.480 62.100 -0.057 0.000 0.978 812 T CB 1.025 69.865 68.868 -0.046 0.000 0.930 812 T HN 0.660 nan 8.240 nan 0.000 0.447 813 S N 1.853 117.530 115.700 -0.037 0.000 3.317 813 S HA -0.167 4.303 4.470 -0.000 0.000 0.358 813 S C 0.169 174.753 174.600 -0.026 0.000 0.945 813 S CA 0.154 58.337 58.200 -0.029 0.000 1.279 813 S CB -1.859 61.328 63.200 -0.023 0.000 0.905 813 S HN 0.808 nan 8.310 nan 0.000 0.507 814 T N 1.326 115.863 114.554 -0.029 0.000 3.066 814 T HA 0.656 5.006 4.350 -0.000 0.000 0.318 814 T C 0.315 175.006 174.700 -0.016 0.000 0.979 814 T CA 0.039 62.127 62.100 -0.020 0.000 1.025 814 T CB 1.478 70.335 68.868 -0.020 0.000 1.002 814 T HN 0.885 nan 8.240 nan 0.000 0.453 815 A N 2.884 125.695 122.820 -0.016 0.000 2.425 815 A HA 0.628 4.948 4.320 -0.000 0.000 0.242 815 A C -0.203 177.378 177.584 -0.004 0.000 1.077 815 A CA -0.285 51.742 52.037 -0.017 0.000 0.781 815 A CB 0.118 19.105 19.000 -0.022 0.000 1.020 815 A HN 0.704 nan 8.150 nan 0.000 0.494 816 L N 2.577 123.797 121.223 -0.004 0.000 2.342 816 L HA 0.437 4.777 4.340 -0.000 0.000 0.276 816 L C -1.158 175.693 176.870 -0.032 0.000 0.997 816 L CA -0.442 54.398 54.840 -0.001 0.000 0.838 816 L CB 1.116 43.200 42.059 0.043 0.000 1.224 816 L HN 0.630 nan 8.230 nan 0.000 0.416 817 N N 6.809 125.487 118.700 -0.036 0.000 2.424 817 N HA 0.450 5.190 4.740 -0.000 0.000 0.271 817 N C -1.230 174.252 175.510 -0.047 0.000 0.985 817 N CA -0.361 52.666 53.050 -0.039 0.000 0.921 817 N CB 2.276 40.743 38.487 -0.033 0.000 1.149 817 N HN 0.559 nan 8.380 nan 0.000 0.492 818 L N 2.489 123.686 121.223 -0.043 0.000 2.280 818 L HA 0.419 4.759 4.340 -0.000 0.000 0.287 818 L C 0.228 177.076 176.870 -0.037 0.000 1.023 818 L CA -0.619 54.193 54.840 -0.045 0.000 0.819 818 L CB 0.807 42.839 42.059 -0.045 0.000 1.212 818 L HN 0.355 nan 8.230 nan 0.000 0.420 819 N N 1.997 120.674 118.700 -0.037 0.000 2.530 819 N HA 0.276 5.016 4.740 -0.000 0.000 0.283 819 N C -0.391 175.101 175.510 -0.031 0.000 1.238 819 N CA -1.002 52.028 53.050 -0.032 0.000 0.971 819 N CB 1.187 39.655 38.487 -0.032 0.000 1.195 819 N HN 0.430 nan 8.380 nan 0.000 0.583 820 K N 0.445 120.829 120.400 -0.027 0.000 2.491 820 K HA -0.040 4.280 4.320 -0.000 0.000 0.279 820 K C 0.590 177.174 176.600 -0.027 0.000 1.026 820 K CA 1.058 57.330 56.287 -0.026 0.000 1.070 820 K CB -0.388 32.098 32.500 -0.024 0.000 0.887 820 K HN 0.818 nan 8.250 nan 0.000 0.481 821 G N 1.960 110.744 108.800 -0.027 0.000 2.213 821 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.226 821 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.226 821 G C 0.122 175.006 174.900 -0.027 0.000 0.992 821 G CA 0.016 45.100 45.100 -0.026 0.000 0.632 821 G HN 0.926 nan 8.290 nan 0.000 0.511 822 A N -0.125 122.677 122.820 -0.030 0.000 2.313 822 A HA 0.666 4.986 4.320 -0.000 0.000 0.261 822 A C 0.385 177.950 177.584 -0.031 0.000 1.090 822 A CA 0.550 52.567 52.037 -0.032 0.000 0.807 822 A CB 0.575 19.551 19.000 -0.039 0.000 1.055 822 A HN 0.939 nan 8.150 nan 0.000 0.492 823 N N -0.483 118.200 118.700 -0.028 0.000 2.812 823 N HA 0.470 5.210 4.740 -0.000 0.000 0.262 823 N C -1.358 174.140 175.510 -0.019 0.000 1.241 823 N CA 0.313 53.348 53.050 -0.026 0.000 0.854 823 N CB 1.573 40.047 38.487 -0.021 0.000 1.506 823 N HN 0.936 nan 8.380 nan 0.000 0.576 824 A N 2.224 125.028 122.820 -0.027 0.000 2.374 824 A HA 0.769 5.089 4.320 -0.000 0.000 0.317 824 A C -1.427 176.146 177.584 -0.017 0.000 1.094 824 A CA -0.640 51.386 52.037 -0.018 0.000 0.765 824 A CB 1.476 20.452 19.000 -0.039 0.000 1.268 824 A HN 0.487 nan 8.150 nan 0.000 0.438 825 L N 1.901 123.130 121.223 0.009 0.000 2.343 825 L HA 0.750 5.090 4.340 -0.000 0.000 0.278 825 L C 0.102 176.992 176.870 0.033 0.000 0.996 825 L CA -0.494 54.352 54.840 0.009 0.000 0.831 825 L CB 1.153 43.224 42.059 0.019 0.000 1.232 825 L HN 0.863 nan 8.230 nan 0.000 0.413 826 A N 3.282 126.112 122.820 0.016 0.000 2.437 826 A HA 0.461 4.781 4.320 -0.000 0.000 0.303 826 A C 1.081 178.715 177.584 0.083 0.000 1.324 826 A CA 0.292 52.368 52.037 0.064 0.000 0.983 826 A CB -0.217 18.801 19.000 0.029 0.000 1.142 826 A HN 1.000 nan 8.150 nan 0.000 0.541 827 S N 1.978 117.736 115.700 0.097 0.000 2.470 827 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 827 S C 0.854 175.502 174.600 0.081 0.000 1.006 827 S CA 0.693 58.937 58.200 0.074 0.000 0.934 827 S CB -0.054 63.187 63.200 0.069 0.000 0.778 827 S HN 0.782 nan 8.310 nan 0.000 0.517 828 Q N 0.271 120.140 119.800 0.115 0.000 3.243 828 Q HA 0.501 4.841 4.340 -0.000 0.000 0.257 828 Q C -0.602 175.496 176.000 0.163 0.000 1.069 828 Q CA -0.856 55.016 55.803 0.114 0.000 0.650 828 Q CB 0.479 29.280 28.738 0.104 0.000 3.605 828 Q HN 0.166 nan 8.270 nan 0.000 0.336 829 S N 0.178 115.981 115.700 0.172 0.000 2.592 829 S HA 0.441 4.911 4.470 -0.000 0.000 0.271 829 S C -1.304 173.468 174.600 0.287 0.000 1.326 829 S CA -0.237 58.099 58.200 0.227 0.000 1.024 829 S CB 0.180 63.520 63.200 0.233 0.000 0.921 829 S HN 0.348 nan 8.310 nan 0.000 0.527 830 F N 2.870 122.914 119.950 0.156 0.000 2.617 830 F HA 0.546 5.073 4.527 -0.000 0.000 0.325 830 F C -1.416 174.468 175.800 0.140 0.000 1.179 830 F CA -0.536 57.553 58.000 0.148 0.000 0.965 830 F CB 0.940 40.059 39.000 0.198 0.000 1.232 830 F HN 0.270 nan 8.300 nan 0.000 0.461 831 V N 4.813 124.401 119.914 -0.544 0.000 2.531 831 V HA 0.690 4.810 4.120 -0.000 0.000 0.301 831 V C -0.688 175.072 176.094 -0.556 0.000 1.034 831 V CA -0.587 61.497 62.300 -0.360 0.000 0.865 831 V CB 1.591 33.256 31.823 -0.263 0.000 0.995 831 V HN 0.767 nan 8.190 nan 0.000 0.424 832 S N 1.943 117.465 115.700 -0.295 0.000 2.540 832 S HA 0.433 4.903 4.470 -0.000 0.000 0.275 832 S C -0.043 174.512 174.600 -0.076 0.000 1.123 832 S CA -0.515 57.546 58.200 -0.232 0.000 0.907 832 S CB 1.793 64.885 63.200 -0.180 0.000 1.081 832 S HN 0.958 nan 8.310 nan 0.000 0.476 833 D N 2.201 122.560 120.400 -0.069 0.000 2.319 833 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 833 D C 0.702 176.973 176.300 -0.048 0.000 1.094 833 D CA -0.042 53.935 54.000 -0.037 0.000 0.856 833 D CB 0.014 40.796 40.800 -0.030 0.000 0.915 833 D HN 0.527 nan 8.370 nan 0.000 0.517 834 G N -0.307 108.452 108.800 -0.068 0.000 3.105 834 G HA2 0.592 4.552 3.960 -0.000 0.000 0.277 834 G HA3 0.592 4.552 3.960 -0.000 0.000 0.277 834 G C -3.044 171.793 174.900 -0.106 0.000 1.375 834 G CA -1.620 43.440 45.100 -0.068 0.000 0.962 834 G HN -0.073 nan 8.290 nan 0.000 0.541 835 P HA 0.401 nan 4.420 nan 0.000 0.277 835 P C -0.775 176.440 177.300 -0.141 0.000 1.240 835 P CA -0.369 62.659 63.100 -0.121 0.000 0.798 835 P CB 1.897 33.557 31.700 -0.067 0.000 0.979 836 V N 3.729 123.519 119.914 -0.207 0.000 2.349 836 V HA 0.236 4.356 4.120 -0.000 0.000 0.284 836 V C -0.054 175.996 176.094 -0.074 0.000 1.014 836 V CA -0.616 61.581 62.300 -0.173 0.000 0.826 836 V CB 0.739 32.348 31.823 -0.357 0.000 1.009 836 V HN 0.492 nan 8.190 nan 0.000 0.431 837 N N 6.117 124.791 118.700 -0.045 0.000 2.426 837 N HA 0.542 5.282 4.740 -0.000 0.000 0.275 837 N C -0.750 174.751 175.510 -0.014 0.000 1.019 837 N CA -0.241 52.798 53.050 -0.019 0.000 0.941 837 N CB 2.582 41.057 38.487 -0.021 0.000 1.123 837 N HN 0.508 nan 8.380 nan 0.000 0.486 838 I N 1.660 122.230 120.570 -0.001 0.000 2.464 838 I HA 0.134 4.304 4.170 -0.000 0.000 0.277 838 I C -0.379 175.731 176.117 -0.012 0.000 1.040 838 I CA -0.425 60.871 61.300 -0.007 0.000 1.153 838 I CB 0.825 38.828 38.000 0.004 0.000 1.274 838 I HN 0.222 nan 8.210 nan 0.000 0.469 839 S N 4.551 120.241 115.700 -0.018 0.000 2.474 839 S HA 0.236 4.706 4.470 -0.000 0.000 0.321 839 S C 0.187 174.774 174.600 -0.021 0.000 1.080 839 S CA -0.679 57.511 58.200 -0.017 0.000 1.106 839 S CB 1.087 64.277 63.200 -0.017 0.000 0.984 839 S HN 0.651 nan 8.310 nan 0.000 0.464 840 D N 0.963 121.351 120.400 -0.020 0.000 2.782 840 D HA -0.218 4.422 4.640 -0.000 0.000 0.230 840 D C 0.245 176.530 176.300 -0.026 0.000 1.165 840 D CA 1.276 55.263 54.000 -0.022 0.000 0.664 840 D CB -0.807 39.981 40.800 -0.020 0.000 1.056 840 D HN 0.687 nan 8.370 nan 0.000 0.423 841 A N -0.639 122.164 122.820 -0.028 0.000 2.387 841 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 841 A C 0.081 177.644 177.584 -0.036 0.000 1.165 841 A CA -0.396 51.622 52.037 -0.032 0.000 0.814 841 A CB 1.935 20.916 19.000 -0.033 0.000 1.357 841 A HN -0.022 nan 8.150 nan 0.000 0.443 842 T N 0.923 115.454 114.554 -0.039 0.000 2.792 842 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 842 T C -1.197 173.473 174.700 -0.051 0.000 0.990 842 T CA -0.085 61.987 62.100 -0.047 0.000 0.960 842 T CB 0.816 69.657 68.868 -0.045 0.000 0.939 842 T HN 0.608 nan 8.240 nan 0.000 0.439 843 L N 3.030 124.216 121.223 -0.061 0.000 2.385 843 L HA 0.767 5.107 4.340 -0.000 0.000 0.273 843 L C -0.741 176.074 176.870 -0.091 0.000 0.990 843 L CA -0.075 54.724 54.840 -0.068 0.000 0.821 843 L CB 2.113 44.138 42.059 -0.056 0.000 1.279 843 L HN 0.555 nan 8.230 nan 0.000 0.412 844 S N 5.173 120.823 115.700 -0.082 0.000 2.500 844 S HA 0.755 5.224 4.470 -0.000 0.000 0.301 844 S C -0.876 173.674 174.600 -0.082 0.000 1.092 844 S CA -0.558 57.588 58.200 -0.090 0.000 1.030 844 S CB 1.338 64.499 63.200 -0.065 0.000 1.031 844 S HN 0.538 nan 8.310 nan 0.000 0.483 845 L N 2.952 124.113 121.223 -0.103 0.000 2.329 845 L HA 0.545 4.885 4.340 -0.000 0.000 0.279 845 L C 0.998 177.848 176.870 -0.033 0.000 1.014 845 L CA -0.668 54.133 54.840 -0.066 0.000 0.814 845 L CB 0.957 42.953 42.059 -0.106 0.000 1.257 845 L HN 0.704 nan 8.230 nan 0.000 0.424 846 N N 0.065 118.771 118.700 0.010 0.000 2.289 846 N HA -0.264 4.476 4.740 -0.000 0.000 0.225 846 N C -0.016 175.494 175.510 0.000 0.000 0.871 846 N CA 2.071 55.132 53.050 0.019 0.000 2.759 846 N CB -0.382 38.126 38.487 0.036 0.000 0.818 846 N HN 0.774 nan 8.380 nan 0.000 0.471 847 S N -1.223 114.464 115.700 -0.022 0.000 2.550 847 S HA 0.680 5.150 4.470 -0.000 0.000 0.270 847 S C -1.175 173.399 174.600 -0.044 0.000 1.145 847 S CA -0.720 57.461 58.200 -0.031 0.000 0.852 847 S CB 1.327 64.505 63.200 -0.037 0.000 1.119 847 S HN 0.325 nan 8.310 nan 0.000 0.465 848 R N 1.836 122.311 120.500 -0.041 0.000 2.528 848 R HA 0.399 4.739 4.340 -0.000 0.000 0.271 848 R C -1.928 174.342 176.300 -0.051 0.000 1.056 848 R CA -1.947 54.127 56.100 -0.044 0.000 1.117 848 R CB 0.384 30.664 30.300 -0.034 0.000 1.085 848 R HN 0.418 nan 8.270 nan 0.000 0.530 849 P HA 0.074 nan 4.420 nan 0.000 0.256 849 P C -0.402 176.872 177.300 -0.043 0.000 1.384 849 P CA 0.512 63.580 63.100 -0.053 0.000 0.879 849 P CB 0.388 32.054 31.700 -0.057 0.000 1.403 850 D N -0.025 120.351 120.400 -0.040 0.000 2.380 850 D HA 0.032 4.672 4.640 -0.000 0.000 0.212 850 D C 0.645 176.925 176.300 -0.035 0.000 1.021 850 D CA 0.766 54.746 54.000 -0.033 0.000 0.884 850 D CB 0.791 41.573 40.800 -0.030 0.000 1.001 850 D HN 0.363 nan 8.370 nan 0.000 0.506 851 E N -0.167 120.007 120.200 -0.044 0.000 2.331 851 E HA 0.368 4.718 4.350 -0.000 0.000 0.275 851 E C -1.315 175.240 176.600 -0.075 0.000 0.895 851 E CA -0.750 55.619 56.400 -0.052 0.000 0.753 851 E CB 2.249 31.921 29.700 -0.045 0.000 1.216 851 E HN -0.306 nan 8.360 nan 0.000 0.434 852 V N 2.193 122.046 119.914 -0.101 0.000 2.350 852 V HA 0.294 4.414 4.120 -0.000 0.000 0.276 852 V C 0.068 175.988 176.094 -0.290 0.000 1.028 852 V CA -0.484 61.712 62.300 -0.173 0.000 0.860 852 V CB 0.975 32.702 31.823 -0.160 0.000 0.990 852 V HN 0.705 nan 8.190 nan 0.000 0.453 853 S N 3.623 119.159 115.700 -0.273 0.000 2.489 853 S HA 0.425 4.895 4.470 -0.000 0.000 0.291 853 S C 0.418 174.792 174.600 -0.377 0.000 1.151 853 S CA -0.632 57.405 58.200 -0.271 0.000 1.082 853 S CB 0.619 63.746 63.200 -0.121 0.000 1.019 853 S HN 0.778 nan 8.310 nan 0.000 0.492 854 H N 3.135 122.190 119.070 -0.025 0.000 2.542 854 H HA 0.199 4.755 4.556 -0.000 0.000 0.283 854 H C 1.048 176.340 175.328 -0.060 0.000 1.059 854 H CA 0.520 56.544 56.048 -0.039 0.000 1.162 854 H CB 0.086 29.826 29.762 -0.036 0.000 1.539 854 H HN 0.747 nan 8.280 nan 0.000 0.543 855 T N -1.810 112.745 114.554 0.001 0.000 3.040 855 T HA 0.215 4.565 4.350 -0.000 0.000 0.266 855 T C 0.913 175.572 174.700 -0.068 0.000 1.005 855 T CA -0.344 61.738 62.100 -0.030 0.000 0.906 855 T CB 0.313 69.169 68.868 -0.020 0.000 1.082 855 T HN 0.007 nan 8.240 nan 0.000 0.531 856 L N 2.034 123.212 121.223 -0.075 0.000 2.640 856 L HA 0.057 4.397 4.340 -0.000 0.000 0.300 856 L C 0.198 176.979 176.870 -0.148 0.000 1.259 856 L CA 0.382 55.171 54.840 -0.085 0.000 0.879 856 L CB 0.055 42.086 42.059 -0.048 0.000 1.125 856 L HN 0.246 nan 8.230 nan 0.000 0.507 857 L N 4.252 125.410 121.223 -0.109 0.000 2.334 857 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 857 L C -2.097 174.705 176.870 -0.113 0.000 1.013 857 L CA -2.136 52.625 54.840 -0.132 0.000 0.816 857 L CB 1.925 43.940 42.059 -0.073 0.000 1.278 857 L HN 0.387 nan 8.230 nan 0.000 0.431 858 P HA 0.080 nan 4.420 nan 0.000 0.268 858 P C -0.844 176.431 177.300 -0.042 0.000 1.204 858 P CA 0.024 63.078 63.100 -0.076 0.000 0.768 858 P CB 1.056 32.708 31.700 -0.079 0.000 0.842 859 V N 1.352 121.277 119.914 0.017 0.000 2.962 859 V HA 0.534 4.654 4.120 -0.000 0.000 0.313 859 V C -1.049 175.000 176.094 -0.074 0.000 1.099 859 V CA -1.187 61.090 62.300 -0.038 0.000 0.971 859 V CB 1.480 33.347 31.823 0.073 0.000 1.028 859 V HN 0.253 nan 8.190 nan 0.000 0.430 860 Y N 1.039 121.416 120.300 0.127 0.000 2.309 860 Y HA 0.616 5.166 4.550 -0.000 0.000 0.327 860 Y C 0.341 176.350 175.900 0.182 0.000 1.172 860 Y CA -0.317 57.824 58.100 0.068 0.000 1.280 860 Y CB 0.805 39.116 38.460 -0.248 0.000 1.234 860 Y HN 0.662 nan 8.280 nan 0.000 0.512 861 D N 2.918 123.635 120.400 0.528 0.000 2.346 861 D HA 0.138 4.778 4.640 -0.000 0.000 0.255 861 D C -1.337 175.570 176.300 1.013 0.000 1.276 861 D CA -0.270 54.136 54.000 0.678 0.000 0.941 861 D CB 0.791 41.857 40.800 0.443 0.000 1.199 861 D HN 0.341 nan 8.370 nan 0.000 0.537 862 Y N 0.825 121.466 120.300 0.567 0.000 2.409 862 Y HA 0.694 5.244 4.550 -0.000 0.000 0.339 862 Y C 0.311 176.382 175.900 0.284 0.000 1.033 862 Y CA -1.543 56.808 58.100 0.418 0.000 1.094 862 Y CB 2.083 40.656 38.460 0.190 0.000 1.210 862 Y HN 0.336 nan 8.280 nan 0.000 0.456 863 A N 0.424 123.381 122.820 0.229 0.000 2.574 863 A HA 0.585 4.905 4.320 -0.000 0.000 0.297 863 A C 0.887 178.400 177.584 -0.119 0.000 1.062 863 A CA -0.187 51.719 52.037 -0.217 0.000 0.686 863 A CB 0.880 19.151 19.000 -1.215 0.000 1.285 863 A HN 0.832 nan 8.150 nan 0.000 0.403 864 G N 0.722 109.455 108.800 -0.112 0.000 2.469 864 G HA2 0.202 4.162 3.960 -0.000 0.000 0.219 864 G HA3 0.202 4.162 3.960 -0.000 0.000 0.219 864 G C 0.679 175.538 174.900 -0.068 0.000 1.150 864 G CA 1.757 46.819 45.100 -0.063 0.000 0.763 864 G HN 2.026 nan 8.290 nan 0.000 0.561 865 S N -2.445 113.144 115.700 -0.185 0.000 2.547 865 S HA 0.484 4.954 4.470 -0.000 0.000 0.270 865 S C -1.922 172.484 174.600 -0.324 0.000 1.150 865 S CA -1.133 56.992 58.200 -0.125 0.000 0.850 865 S CB 0.925 64.118 63.200 -0.011 0.000 1.118 865 S HN 0.242 nan 8.310 nan 0.000 0.461 866 W N 1.809 123.122 121.300 0.023 0.000 2.278 866 W HA 0.531 5.191 4.660 -0.000 0.000 0.317 866 W C -0.359 176.138 176.519 -0.037 0.000 1.030 866 W CA -0.515 56.810 57.345 -0.032 0.000 1.334 866 W CB 0.887 30.285 29.460 -0.103 0.000 1.215 866 W HN 0.530 nan 8.180 nan 0.000 0.405 867 N N 4.414 123.181 118.700 0.111 0.000 2.518 867 N HA 0.370 5.110 4.740 -0.000 0.000 0.254 867 N C -1.389 174.146 175.510 0.041 0.000 0.979 867 N CA -0.601 52.486 53.050 0.063 0.000 0.930 867 N CB 1.831 40.335 38.487 0.027 0.000 1.152 867 N HN 0.165 nan 8.380 nan 0.000 0.505 868 L N 1.842 123.083 121.223 0.030 0.000 2.295 868 L HA 0.420 4.760 4.340 -0.000 0.000 0.285 868 L C 0.477 177.349 176.870 0.003 0.000 1.035 868 L CA -0.155 54.691 54.840 0.009 0.000 0.806 868 L CB 0.966 43.020 42.059 -0.008 0.000 1.214 868 L HN 0.223 nan 8.230 nan 0.000 0.426 869 K N 1.460 121.859 120.400 -0.002 0.000 2.259 869 K HA 0.833 5.153 4.320 -0.000 0.000 0.252 869 K C -0.306 176.288 176.600 -0.010 0.000 0.936 869 K CA -0.328 55.956 56.287 -0.004 0.000 0.810 869 K CB 1.905 34.403 32.500 -0.005 0.000 1.143 869 K HN 0.773 nan 8.250 nan 0.000 0.427 870 G N 2.298 111.093 108.800 -0.009 0.000 2.692 870 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 870 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 870 G C -0.203 174.688 174.900 -0.014 0.000 1.243 870 G CA -0.673 44.420 45.100 -0.011 0.000 0.782 870 G HN 0.684 nan 8.290 nan 0.000 0.625 871 D N 0.077 120.469 120.400 -0.013 0.000 2.221 871 D HA -0.033 4.607 4.640 -0.000 0.000 0.204 871 D C 1.765 178.053 176.300 -0.019 0.000 0.982 871 D CA 1.595 55.586 54.000 -0.014 0.000 0.857 871 D CB 0.147 40.940 40.800 -0.012 0.000 0.934 871 D HN 0.498 nan 8.370 nan 0.000 0.475 872 D N -0.213 120.175 120.400 -0.020 0.000 2.349 872 D HA 0.133 4.773 4.640 -0.000 0.000 0.214 872 D C 0.489 176.771 176.300 -0.029 0.000 1.063 872 D CA 0.024 54.010 54.000 -0.024 0.000 0.847 872 D CB 0.127 40.913 40.800 -0.022 0.000 0.933 872 D HN 0.043 nan 8.370 nan 0.000 0.513 873 A N 1.423 124.225 122.820 -0.029 0.000 2.511 873 A HA 0.299 4.619 4.320 -0.000 0.000 0.242 873 A C 0.414 177.971 177.584 -0.045 0.000 1.069 873 A CA 0.201 52.218 52.037 -0.033 0.000 0.763 873 A CB 0.426 19.410 19.000 -0.027 0.000 1.001 873 A HN -0.049 nan 8.150 nan 0.000 0.498 874 R N 1.431 121.899 120.500 -0.054 0.000 2.538 874 R HA 0.451 4.791 4.340 -0.000 0.000 0.292 874 R C -1.953 174.293 176.300 -0.090 0.000 1.008 874 R CA -0.768 55.289 56.100 -0.072 0.000 0.896 874 R CB 1.711 31.971 30.300 -0.066 0.000 1.187 874 R HN 0.588 nan 8.270 nan 0.000 0.440 875 L N 3.495 124.642 121.223 -0.127 0.000 2.319 875 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 875 L C -1.144 175.602 176.870 -0.207 0.000 1.005 875 L CA -0.380 54.355 54.840 -0.175 0.000 0.828 875 L CB 1.332 43.255 42.059 -0.226 0.000 1.227 875 L HN 0.427 nan 8.230 nan 0.000 0.415 876 N N 4.947 123.534 118.700 -0.188 0.000 2.446 876 N HA 0.401 5.141 4.740 -0.000 0.000 0.265 876 N C -1.246 174.143 175.510 -0.203 0.000 0.975 876 N CA -0.353 52.590 53.050 -0.178 0.000 0.928 876 N CB 2.473 40.886 38.487 -0.124 0.000 1.160 876 N HN 0.335 nan 8.380 nan 0.000 0.495 877 V N 1.357 121.132 119.914 -0.231 0.000 2.293 877 V HA 0.421 4.541 4.120 -0.000 0.000 0.275 877 V C 1.188 177.186 176.094 -0.160 0.000 1.021 877 V CA -0.910 61.248 62.300 -0.236 0.000 0.815 877 V CB 0.870 32.492 31.823 -0.334 0.000 1.025 877 V HN 0.702 nan 8.190 nan 0.000 0.448 878 G N 6.366 115.098 108.800 -0.114 0.000 2.664 878 G HA2 0.360 4.320 3.960 -0.000 0.000 0.242 878 G HA3 0.360 4.320 3.960 -0.000 0.000 0.242 878 G C -2.242 172.613 174.900 -0.076 0.000 1.225 878 G CA -0.703 44.349 45.100 -0.081 0.000 0.849 878 G HN 0.535 nan 8.290 nan 0.000 0.581 879 P HA 0.060 nan 4.420 nan 0.000 0.272 879 P C -0.813 176.416 177.300 -0.117 0.000 1.240 879 P CA 0.018 62.990 63.100 -0.213 0.000 0.791 879 P CB 0.240 31.753 31.700 -0.312 0.000 0.978 880 Y N -3.227 117.040 120.300 -0.055 0.000 4.177 880 Y HA -0.205 4.345 4.550 -0.000 0.000 0.227 880 Y C 0.740 176.696 175.900 0.092 0.000 1.154 880 Y CA 1.040 59.005 58.100 -0.225 0.000 1.887 880 Y CB -2.730 35.537 38.460 -0.322 0.000 1.594 880 Y HN 0.334 nan 8.280 nan 0.000 0.668 881 S N 0.882 116.772 115.700 0.318 0.000 2.442 881 S HA 0.627 5.097 4.470 -0.000 0.000 0.297 881 S C 0.149 174.965 174.600 0.360 0.000 1.131 881 S CA -0.875 57.513 58.200 0.314 0.000 1.092 881 S CB 0.425 63.692 63.200 0.111 0.000 0.998 881 S HN 0.221 nan 8.310 nan 0.000 0.478 882 M N 5.349 125.126 119.600 0.295 0.000 2.264 882 M HA 0.258 4.738 4.480 -0.000 0.000 0.340 882 M C -0.711 175.763 176.300 0.291 0.000 1.420 882 M CA -0.362 55.000 55.300 0.103 0.000 1.254 882 M CB 0.084 32.786 32.600 0.170 0.000 1.575 882 M HN 0.608 nan 8.290 nan 0.000 0.452 883 L N 3.565 124.908 121.223 0.199 0.000 2.307 883 L HA 0.486 4.826 4.340 -0.000 0.000 0.282 883 L C -0.039 177.068 176.870 0.396 0.000 1.051 883 L CA 0.311 55.281 54.840 0.217 0.000 0.804 883 L CB 1.528 43.515 42.059 -0.120 0.000 1.197 883 L HN 0.682 nan 8.230 nan 0.000 0.431 884 S N 3.572 119.517 115.700 0.409 0.000 2.536 884 S HA 0.960 5.430 4.470 -0.000 0.000 0.287 884 S C -0.570 174.367 174.600 0.560 0.000 1.101 884 S CA 0.201 58.565 58.200 0.274 0.000 0.950 884 S CB 1.279 64.204 63.200 -0.459 0.000 1.056 884 S HN 1.546 nan 8.310 nan 0.000 0.481 885 G N 3.230 112.367 108.800 0.562 0.000 2.465 885 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.681 885 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.681 885 G C -1.561 173.769 174.900 0.716 0.000 1.340 885 G CA -1.140 44.274 45.100 0.524 0.000 0.884 885 G HN 0.766 nan 8.290 nan 0.000 0.650 886 N N -0.442 118.533 118.700 0.458 0.000 2.518 886 N HA 0.407 5.147 4.740 -0.000 0.000 0.266 886 N C 0.269 176.069 175.510 0.483 0.000 1.196 886 N CA 0.137 53.466 53.050 0.466 0.000 0.947 886 N CB 1.020 39.659 38.487 0.253 0.000 1.098 886 N HN 0.497 nan 8.380 nan 0.000 0.450 887 I N 2.308 123.153 120.570 0.459 0.000 2.339 887 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 887 I C -0.304 175.910 176.117 0.162 0.000 0.994 887 I CA -0.663 60.767 61.300 0.217 0.000 1.191 887 I CB 0.876 38.797 38.000 -0.132 0.000 1.343 887 I HN 0.183 nan 8.210 nan 0.000 0.458 888 N N 6.584 125.358 118.700 0.123 0.000 2.372 888 N HA 0.445 5.185 4.740 -0.000 0.000 0.285 888 N C -1.019 174.520 175.510 0.049 0.000 1.008 888 N CA -0.397 52.704 53.050 0.085 0.000 0.880 888 N CB 2.813 41.348 38.487 0.080 0.000 1.239 888 N HN 0.151 nan 8.380 nan 0.000 0.484 889 V N 1.930 121.864 119.914 0.034 0.000 2.444 889 V HA 0.318 4.438 4.120 -0.000 0.000 0.294 889 V C -0.016 176.088 176.094 0.016 0.000 1.022 889 V CA -0.790 61.518 62.300 0.013 0.000 0.850 889 V CB 1.776 33.594 31.823 -0.007 0.000 0.992 889 V HN 0.595 nan 8.190 nan 0.000 0.426 890 Q N 4.660 124.467 119.800 0.012 0.000 2.325 890 Q HA 0.496 4.836 4.340 -0.000 0.000 0.262 890 Q C -0.735 175.267 176.000 0.004 0.000 0.968 890 Q CA -0.210 55.600 55.803 0.011 0.000 0.877 890 Q CB 1.061 29.806 28.738 0.011 0.000 1.253 890 Q HN 0.893 nan 8.270 nan 0.000 0.448 891 D N 2.377 122.779 120.400 0.004 0.000 5.683 891 D HA -0.147 4.493 4.640 -0.000 0.000 0.307 891 D C -0.906 175.393 176.300 -0.003 0.000 2.378 891 D CA 0.121 54.121 54.000 0.000 0.000 1.434 891 D CB -0.139 40.659 40.800 -0.003 0.000 1.073 891 D HN 0.715 nan 8.370 nan 0.000 1.218 892 K N 1.132 121.529 120.400 -0.006 0.000 3.165 892 K HA 0.388 4.708 4.320 -0.000 0.000 0.259 892 K C 0.841 177.430 176.600 -0.017 0.000 1.282 892 K CA -0.003 56.279 56.287 -0.008 0.000 1.259 892 K CB 0.355 32.852 32.500 -0.006 0.000 1.546 892 K HN 0.382 nan 8.250 nan 0.000 0.384 893 G N 0.531 109.318 108.800 -0.021 0.000 2.732 893 G HA2 0.012 3.972 3.960 -0.000 0.000 0.244 893 G HA3 0.012 3.972 3.960 -0.000 0.000 0.244 893 G C -0.343 174.530 174.900 -0.045 0.000 1.226 893 G CA -0.119 44.962 45.100 -0.033 0.000 0.860 893 G HN 0.191 nan 8.290 nan 0.000 0.583 894 T N -0.243 114.275 114.554 -0.060 0.000 2.824 894 T HA 0.478 4.828 4.350 -0.000 0.000 0.282 894 T C -0.389 174.244 174.700 -0.111 0.000 0.993 894 T CA -0.325 61.729 62.100 -0.076 0.000 0.967 894 T CB 1.780 70.608 68.868 -0.067 0.000 0.960 894 T HN 0.332 nan 8.240 nan 0.000 0.441 895 V N 3.296 123.125 119.914 -0.142 0.000 2.495 895 V HA 0.636 4.756 4.120 -0.000 0.000 0.298 895 V C -0.078 175.891 176.094 -0.209 0.000 1.031 895 V CA -0.627 61.546 62.300 -0.211 0.000 0.871 895 V CB 2.069 33.722 31.823 -0.283 0.000 0.988 895 V HN 1.000 nan 8.190 nan 0.000 0.432 896 T N 6.013 120.433 114.554 -0.224 0.000 2.906 896 T HA 0.521 4.871 4.350 -0.000 0.000 0.302 896 T C -0.812 173.754 174.700 -0.223 0.000 1.002 896 T CA -0.311 61.676 62.100 -0.188 0.000 0.988 896 T CB 0.966 69.751 68.868 -0.139 0.000 0.972 896 T HN 0.221 nan 8.240 nan 0.000 0.447 897 L N 3.435 124.524 121.223 -0.224 0.000 2.262 897 L HA 0.725 5.065 4.340 -0.000 0.000 0.288 897 L C 0.782 177.564 176.870 -0.147 0.000 1.035 897 L CA 0.653 55.360 54.840 -0.222 0.000 0.820 897 L CB 0.554 42.459 42.059 -0.256 0.000 1.204 897 L HN 0.992 nan 8.230 nan 0.000 0.424 898 G N 2.016 110.734 108.800 -0.137 0.000 2.788 898 G HA2 0.420 4.380 3.960 -0.000 0.000 0.686 898 G HA3 0.420 4.380 3.960 -0.000 0.000 0.686 898 G C -0.474 174.368 174.900 -0.097 0.000 1.147 898 G CA -0.537 44.495 45.100 -0.113 0.000 0.755 898 G HN 1.024 nan 8.290 nan 0.000 0.634 899 G N 0.068 108.812 108.800 -0.094 0.000 2.606 899 G HA2 0.737 4.697 3.960 -0.000 0.000 0.300 899 G HA3 0.737 4.697 3.960 -0.000 0.000 0.300 899 G C -0.641 174.219 174.900 -0.067 0.000 1.360 899 G CA -0.332 44.725 45.100 -0.072 0.000 0.783 899 G HN 0.813 nan 8.290 nan 0.000 0.484 900 E N -0.926 119.245 120.200 -0.049 0.000 2.390 900 E HA 0.495 4.845 4.350 -0.000 0.000 0.261 900 E C 0.277 176.849 176.600 -0.047 0.000 1.076 900 E CA 0.680 57.058 56.400 -0.037 0.000 0.905 900 E CB 1.237 30.922 29.700 -0.025 0.000 0.984 900 E HN 1.192 nan 8.360 nan 0.000 0.427 901 G N 1.395 110.180 108.800 -0.025 0.000 2.301 901 G HA2 0.105 4.065 3.960 -0.000 0.000 0.290 901 G HA3 0.105 4.065 3.960 -0.000 0.000 0.290 901 G C -1.470 173.483 174.900 0.088 0.000 1.669 901 G CA -0.870 44.209 45.100 -0.035 0.000 0.945 901 G HN 0.251 nan 8.290 nan 0.000 0.710 902 E N 0.631 120.870 120.200 0.064 0.000 2.256 902 E HA 0.605 4.955 4.350 -0.000 0.000 0.267 902 E C 0.518 177.085 176.600 -0.056 0.000 0.892 902 E CA -0.835 55.620 56.400 0.092 0.000 0.775 902 E CB 2.177 31.975 29.700 0.163 0.000 1.207 902 E HN 0.526 nan 8.360 nan 0.000 0.420 903 L N 0.809 121.873 121.223 -0.266 0.000 2.473 903 L HA 0.115 4.455 4.340 -0.000 0.000 0.268 903 L C 0.877 177.615 176.870 -0.220 0.000 1.215 903 L CA 0.047 54.652 54.840 -0.392 0.000 0.823 903 L CB 0.301 41.959 42.059 -0.669 0.000 1.099 903 L HN 0.326 nan 8.230 nan 0.000 0.483 904 S N 1.646 117.226 115.700 -0.200 0.000 2.562 904 S HA 0.078 4.548 4.470 -0.000 0.000 0.281 904 S C -1.317 173.190 174.600 -0.156 0.000 1.333 904 S CA -0.976 57.142 58.200 -0.137 0.000 1.052 904 S CB 0.917 64.047 63.200 -0.116 0.000 0.884 904 S HN 0.473 nan 8.310 nan 0.000 0.506 905 P HA -0.020 nan 4.420 nan 0.000 0.225 905 P C -0.426 176.810 177.300 -0.106 0.000 1.148 905 P CA 0.933 63.966 63.100 -0.111 0.000 0.779 905 P CB 0.014 31.666 31.700 -0.080 0.000 0.780 906 D N 0.893 121.236 120.400 -0.096 0.000 2.454 906 D HA 0.323 4.963 4.640 -0.000 0.000 0.225 906 D C -0.046 176.201 176.300 -0.089 0.000 1.081 906 D CA -0.182 53.770 54.000 -0.080 0.000 0.864 906 D CB 1.577 42.343 40.800 -0.057 0.000 1.040 906 D HN 0.118 nan 8.370 nan 0.000 0.517 907 L N 1.621 122.788 121.223 -0.093 0.000 2.362 907 L HA 0.296 4.635 4.340 -0.000 0.000 0.275 907 L C 1.215 178.050 176.870 -0.057 0.000 0.998 907 L CA -0.865 53.917 54.840 -0.097 0.000 0.820 907 L CB 2.031 44.002 42.059 -0.147 0.000 1.270 907 L HN 0.279 nan 8.230 nan 0.000 0.415 908 T N -0.750 113.780 114.554 -0.039 0.000 2.680 908 T HA 0.051 4.401 4.350 -0.000 0.000 0.314 908 T C 1.047 175.746 174.700 -0.003 0.000 1.045 908 T CA -0.305 61.786 62.100 -0.015 0.000 1.025 908 T CB 0.742 69.608 68.868 -0.003 0.000 1.000 908 T HN 0.499 nan 8.240 nan 0.000 0.535 909 L N 0.977 122.207 121.223 0.011 0.000 2.017 909 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 909 L C 2.773 179.669 176.870 0.042 0.000 1.073 909 L CA 1.905 56.760 54.840 0.026 0.000 0.745 909 L CB -1.424 40.652 42.059 0.027 0.000 0.894 909 L HN 0.816 nan 8.230 nan 0.000 0.432 910 Q N -0.022 119.805 119.800 0.044 0.000 2.061 910 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 910 Q C 2.111 178.150 176.000 0.065 0.000 0.984 910 Q CA 2.038 57.880 55.803 0.065 0.000 0.846 910 Q CB -0.512 28.268 28.738 0.070 0.000 0.902 910 Q HN 0.529 nan 8.270 nan 0.000 0.421 911 N N -0.039 118.681 118.700 0.033 0.000 2.137 911 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 911 N C 1.668 177.203 175.510 0.042 0.000 1.017 911 N CA 1.341 54.396 53.050 0.008 0.000 0.859 911 N CB -0.236 38.225 38.487 -0.042 0.000 1.002 911 N HN 0.236 nan 8.380 nan 0.000 0.428 912 Q N 0.287 120.117 119.800 0.050 0.000 2.046 912 Q HA 0.110 4.450 4.340 -0.000 0.000 0.200 912 Q C 2.078 178.173 176.000 0.159 0.000 0.975 912 Q CA 1.215 57.078 55.803 0.099 0.000 0.836 912 Q CB -0.078 28.699 28.738 0.064 0.000 0.896 912 Q HN 0.363 nan 8.270 nan 0.000 0.428 913 M N -0.532 119.141 119.600 0.121 0.000 2.159 913 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 913 M C 2.022 178.415 176.300 0.155 0.000 1.063 913 M CA 1.063 56.438 55.300 0.125 0.000 1.110 913 M CB -0.487 32.177 32.600 0.106 0.000 1.374 913 M HN 0.288 nan 8.290 nan 0.000 0.411 914 L N -0.011 121.314 121.223 0.169 0.000 2.056 914 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 914 L C 2.509 179.584 176.870 0.342 0.000 1.078 914 L CA 1.772 56.737 54.840 0.208 0.000 0.749 914 L CB -1.056 41.068 42.059 0.108 0.000 0.901 914 L HN 0.272 nan 8.230 nan 0.000 0.433 915 Y N -0.342 120.036 120.300 0.130 0.000 2.256 915 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 915 Y C 2.465 178.479 175.900 0.191 0.000 1.155 915 Y CA 1.695 59.843 58.100 0.080 0.000 1.203 915 Y CB -0.570 37.836 38.460 -0.089 0.000 0.980 915 Y HN 0.249 nan 8.280 nan 0.000 0.530 916 S N 0.643 116.342 115.700 -0.001 0.000 2.370 916 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 916 S C 1.911 176.515 174.600 0.007 0.000 1.033 916 S CA 1.539 59.693 58.200 -0.077 0.000 1.011 916 S CB -0.549 62.675 63.200 0.041 0.000 0.852 916 S HN 0.515 nan 8.310 nan 0.000 0.457 917 L N -0.033 121.262 121.223 0.121 0.000 2.549 917 L HA -0.006 4.334 4.340 -0.000 0.000 0.229 917 L C 1.465 178.365 176.870 0.049 0.000 1.158 917 L CA 0.816 55.706 54.840 0.082 0.000 0.842 917 L CB -0.515 41.591 42.059 0.079 0.000 0.952 917 L HN 0.319 nan 8.230 nan 0.000 0.452 918 F N -0.338 119.585 119.950 -0.044 0.000 2.558 918 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 918 F C 1.407 177.237 175.800 0.050 0.000 1.119 918 F CA 0.197 58.202 58.000 0.009 0.000 1.451 918 F CB -0.093 38.915 39.000 0.014 0.000 1.091 918 F HN 0.180 nan 8.300 nan 0.000 0.563 919 N N 0.646 119.413 118.700 0.112 0.000 2.721 919 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 919 N C 0.909 176.410 175.510 -0.015 0.000 1.072 919 N CA 0.979 54.063 53.050 0.056 0.000 0.710 919 N CB -1.191 37.363 38.487 0.112 0.000 0.993 919 N HN 0.584 nan 8.380 nan 0.000 0.547 920 G N -2.705 106.051 108.800 -0.073 0.000 2.195 920 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.246 920 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.246 920 G C 0.010 174.714 174.900 -0.326 0.000 0.984 920 G CA 0.388 45.396 45.100 -0.153 0.000 0.633 920 G HN 0.473 nan 8.290 nan 0.000 0.525 921 Y N 0.331 120.631 120.300 -0.000 0.000 2.301 921 Y HA 0.578 5.128 4.550 -0.000 0.000 0.325 921 Y C 1.944 177.808 175.900 -0.059 0.000 1.203 921 Y CA -0.354 57.688 58.100 -0.097 0.000 1.255 921 Y CB 0.635 39.115 38.460 0.033 0.000 1.232 921 Y HN 0.007 nan 8.280 nan 0.000 0.501 922 R N 0.887 121.333 120.500 -0.091 0.000 2.148 922 R HA -0.054 4.286 4.340 -0.000 0.000 0.227 922 R C -0.479 175.773 176.300 -0.079 0.000 1.103 922 R CA 0.993 56.896 56.100 -0.328 0.000 0.983 922 R CB -0.154 29.881 30.300 -0.441 0.000 0.874 922 R HN 0.696 nan 8.270 nan 0.000 0.451 923 N N -0.631 118.159 118.700 0.149 0.000 2.369 923 N HA 0.292 5.032 4.740 -0.000 0.000 0.287 923 N C -1.814 173.736 175.510 0.067 0.000 1.067 923 N CA -0.488 52.661 53.050 0.167 0.000 0.888 923 N CB 2.213 40.709 38.487 0.014 0.000 1.616 923 N HN -0.161 nan 8.380 nan 0.000 0.482 924 I N 1.821 122.355 120.570 -0.060 0.000 2.378 924 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 924 I C -1.090 175.045 176.117 0.030 0.000 0.992 924 I CA -0.510 60.710 61.300 -0.133 0.000 1.154 924 I CB 0.755 38.566 38.000 -0.315 0.000 1.315 924 I HN 0.524 nan 8.210 nan 0.000 0.448 925 W N 6.758 127.984 121.300 -0.123 0.000 2.532 925 W HA 0.624 5.284 4.660 -0.000 0.000 0.321 925 W C -0.669 175.877 176.519 0.045 0.000 1.037 925 W CA -1.240 56.051 57.345 -0.090 0.000 1.220 925 W CB 1.857 31.181 29.460 -0.226 0.000 1.361 925 W HN 0.387 nan 8.180 nan 0.000 0.468 926 S N 4.664 120.255 115.700 -0.182 0.000 2.461 926 S HA 0.819 5.288 4.470 -0.000 0.000 0.322 926 S C -0.189 174.000 174.600 -0.684 0.000 1.063 926 S CA 0.362 58.324 58.200 -0.397 0.000 1.120 926 S CB -0.310 62.790 63.200 -0.167 0.000 0.968 926 S HN 1.064 nan 8.310 nan 0.000 0.467 927 G N 2.549 110.718 108.800 -1.051 0.000 0.000 927 G HA2 0.364 4.324 3.960 -0.000 0.000 0.000 927 G HA3 0.364 4.324 3.960 -0.000 0.000 0.000 927 G C -1.438 173.187 174.900 -0.458 0.000 0.000 927 G CA -0.758 44.011 45.100 -0.550 0.000 0.000 927 G HN 0.615 nan 8.290 nan 0.000 0.000 928 S N -0.744 114.936 115.700 -0.034 0.000 2.554 928 S HA 0.596 5.066 4.470 -0.000 0.000 0.278 928 S C -0.449 174.370 174.600 0.365 0.000 1.242 928 S CA -0.434 57.844 58.200 0.130 0.000 1.051 928 S CB 1.658 64.918 63.200 0.100 0.000 0.986 928 S HN 0.933 nan 8.310 nan 0.000 0.502 929 L N 3.315 124.793 121.223 0.423 0.000 2.294 929 L HA 0.521 4.861 4.340 -0.000 0.000 0.283 929 L C -0.523 176.489 176.870 0.238 0.000 1.015 929 L CA -0.238 54.839 54.840 0.395 0.000 0.831 929 L CB 0.768 43.059 42.059 0.387 0.000 1.217 929 L HN 0.574 nan 8.230 nan 0.000 0.420 930 N N 4.647 123.453 118.700 0.176 0.000 2.955 930 N HA 0.529 5.269 4.740 -0.000 0.000 0.242 930 N C -0.898 174.664 175.510 0.085 0.000 1.123 930 N CA 0.069 53.191 53.050 0.120 0.000 0.949 930 N CB 1.015 39.564 38.487 0.102 0.000 1.214 930 N HN 0.649 nan 8.380 nan 0.000 0.504 931 A N 3.706 126.573 122.820 0.078 0.000 3.253 931 A HA 0.393 4.713 4.320 -0.000 0.000 0.290 931 A C -1.647 175.962 177.584 0.043 0.000 0.950 931 A CA -0.876 51.189 52.037 0.047 0.000 0.986 931 A CB 0.667 19.683 19.000 0.026 0.000 1.104 931 A HN 0.370 nan 8.150 nan 0.000 0.481 932 P HA -0.145 nan 4.420 nan 0.000 0.218 932 P C 0.238 177.557 177.300 0.032 0.000 1.148 932 P CA 1.381 64.506 63.100 0.041 0.000 0.822 932 P CB 0.270 31.992 31.700 0.038 0.000 0.784 933 D N -1.410 119.004 120.400 0.023 0.000 2.431 933 D HA 0.225 4.865 4.640 -0.000 0.000 0.213 933 D C 0.802 177.107 176.300 0.009 0.000 1.130 933 D CA -0.093 53.917 54.000 0.016 0.000 0.834 933 D CB 0.731 41.539 40.800 0.013 0.000 0.985 933 D HN 0.096 nan 8.370 nan 0.000 0.504 934 A N 0.786 123.610 122.820 0.006 0.000 2.313 934 A HA 0.438 4.758 4.320 -0.000 0.000 0.261 934 A C 0.430 178.009 177.584 -0.010 0.000 1.090 934 A CA 0.151 52.183 52.037 -0.009 0.000 0.807 934 A CB 0.526 19.514 19.000 -0.019 0.000 1.055 934 A HN -0.045 nan 8.150 nan 0.000 0.492 935 T N 0.756 115.296 114.554 -0.024 0.000 2.794 935 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 935 T C -0.780 173.889 174.700 -0.051 0.000 0.987 935 T CA -0.221 61.864 62.100 -0.025 0.000 0.993 935 T CB 0.954 69.807 68.868 -0.024 0.000 0.939 935 T HN 0.497 nan 8.240 nan 0.000 0.449 936 V N 2.632 122.516 119.914 -0.050 0.000 2.524 936 V HA 0.627 4.747 4.120 -0.000 0.000 0.297 936 V C -0.275 175.769 176.094 -0.083 0.000 1.035 936 V CA -0.759 61.485 62.300 -0.094 0.000 0.867 936 V CB 1.886 33.645 31.823 -0.106 0.000 1.004 936 V HN 0.859 nan 8.190 nan 0.000 0.426 937 S N 6.121 121.755 115.700 -0.110 0.000 2.500 937 S HA 0.896 5.366 4.470 -0.000 0.000 0.301 937 S C -0.778 173.753 174.600 -0.115 0.000 1.092 937 S CA -0.572 57.577 58.200 -0.085 0.000 1.030 937 S CB 1.045 64.202 63.200 -0.072 0.000 1.031 937 S HN 0.658 nan 8.310 nan 0.000 0.483 938 M N 2.966 122.519 119.600 -0.079 0.000 2.433 938 M HA 0.447 4.927 4.480 -0.000 0.000 0.290 938 M C -1.329 174.953 176.300 -0.030 0.000 1.173 938 M CA -0.613 54.638 55.300 -0.083 0.000 0.905 938 M CB 2.677 35.223 32.600 -0.090 0.000 1.692 938 M HN 0.514 nan 8.290 nan 0.000 0.462 939 T N 0.397 114.938 114.554 -0.021 0.000 3.032 939 T HA 0.261 4.611 4.350 -0.000 0.000 0.312 939 T C -0.751 173.977 174.700 0.047 0.000 1.078 939 T CA -0.496 61.619 62.100 0.024 0.000 1.028 939 T CB 1.460 70.330 68.868 0.003 0.000 1.091 939 T HN 0.834 nan 8.240 nan 0.000 0.457 940 D N 1.343 121.832 120.400 0.148 0.000 2.737 940 D HA -0.128 4.512 4.640 -0.000 0.000 0.233 940 D C -0.099 176.322 176.300 0.202 0.000 1.155 940 D CA 1.253 55.383 54.000 0.215 0.000 0.667 940 D CB -0.909 39.897 40.800 0.010 0.000 1.060 940 D HN 0.490 nan 8.370 nan 0.000 0.427 941 T N 0.496 115.126 114.554 0.128 0.000 2.855 941 T HA 0.379 4.729 4.350 -0.000 0.000 0.281 941 T C 0.254 174.800 174.700 -0.257 0.000 1.007 941 T CA -0.630 61.463 62.100 -0.013 0.000 1.009 941 T CB 2.612 71.460 68.868 -0.034 0.000 0.983 941 T HN 0.097 nan 8.240 nan 0.000 0.455 942 Q N 2.227 121.733 119.800 -0.490 0.000 2.372 942 Q HA 0.318 4.658 4.340 -0.000 0.000 0.259 942 Q C -1.611 174.286 176.000 -0.171 0.000 0.993 942 Q CA -0.824 54.560 55.803 -0.698 0.000 0.854 942 Q CB 0.731 28.742 28.738 -1.210 0.000 1.231 942 Q HN 0.669 nan 8.270 nan 0.000 0.462 943 W N 4.181 125.318 121.300 -0.272 0.000 2.291 943 W HA 0.413 5.073 4.660 -0.000 0.000 0.312 943 W C -1.142 175.243 176.519 -0.223 0.000 1.061 943 W CA -1.179 56.037 57.345 -0.214 0.000 1.296 943 W CB 1.468 30.806 29.460 -0.203 0.000 1.223 943 W HN 0.534 nan 8.180 nan 0.000 0.421 944 S N 8.235 123.964 115.700 0.048 0.000 2.423 944 S HA 0.449 4.919 4.470 -0.000 0.000 0.317 944 S C -0.303 173.986 174.600 -0.519 0.000 1.065 944 S CA -0.753 57.350 58.200 -0.161 0.000 1.111 944 S CB -0.236 63.015 63.200 0.086 0.000 0.968 944 S HN 0.592 nan 8.310 nan 0.000 0.474 945 M N 5.810 124.842 119.600 -0.946 0.000 2.113 945 M HA 0.454 4.934 4.480 -0.000 0.000 0.352 945 M C -0.459 175.568 176.300 -0.454 0.000 1.170 945 M CA -0.228 54.560 55.300 -0.853 0.000 1.053 945 M CB 0.595 32.329 32.600 -1.442 0.000 1.601 945 M HN 0.522 nan 8.290 nan 0.000 0.459 946 N N 3.972 122.508 118.700 -0.274 0.000 2.276 946 N HA 0.335 5.075 4.740 -0.000 0.000 0.212 946 N C -0.050 175.401 175.510 -0.097 0.000 1.127 946 N CA 0.104 53.058 53.050 -0.161 0.000 0.834 946 N CB 0.990 39.403 38.487 -0.122 0.000 1.014 946 N HN 0.854 nan 8.380 nan 0.000 0.491 947 G N -0.171 108.573 108.800 -0.093 0.000 2.466 947 G HA2 0.100 4.060 3.960 -0.000 0.000 0.291 947 G HA3 0.100 4.060 3.960 -0.000 0.000 0.291 947 G C -1.240 173.661 174.900 0.001 0.000 1.460 947 G CA -0.781 44.302 45.100 -0.027 0.000 0.791 947 G HN -0.110 nan 8.290 nan 0.000 0.505 948 N N 0.174 118.893 118.700 0.031 0.000 2.407 948 N HA 0.398 5.137 4.740 -0.000 0.000 0.250 948 N C -0.244 175.310 175.510 0.072 0.000 1.236 948 N CA 0.663 53.746 53.050 0.054 0.000 0.879 948 N CB 1.122 39.638 38.487 0.048 0.000 1.088 948 N HN 0.432 nan 8.380 nan 0.000 0.450 949 S N -0.497 115.258 115.700 0.093 0.000 2.536 949 S HA 0.640 5.110 4.470 -0.000 0.000 0.271 949 S C -0.607 174.082 174.600 0.148 0.000 1.134 949 S CA -0.899 57.390 58.200 0.147 0.000 0.897 949 S CB 1.870 65.195 63.200 0.209 0.000 1.094 949 S HN 0.635 nan 8.310 nan 0.000 0.473 950 T N -0.763 113.885 114.554 0.156 0.000 2.933 950 T HA 0.908 5.258 4.350 -0.000 0.000 0.305 950 T C -0.917 173.857 174.700 0.124 0.000 1.092 950 T CA -0.892 61.283 62.100 0.124 0.000 1.008 950 T CB 1.788 70.709 68.868 0.088 0.000 1.102 950 T HN 0.906 nan 8.240 nan 0.000 0.469 951 A N 1.034 123.918 122.820 0.107 0.000 2.515 951 A HA 0.892 5.212 4.320 -0.000 0.000 0.298 951 A C 0.876 178.499 177.584 0.064 0.000 1.059 951 A CA -0.392 51.695 52.037 0.084 0.000 0.698 951 A CB 1.358 20.418 19.000 0.100 0.000 1.289 951 A HN 1.222 nan 8.150 nan 0.000 0.404 952 G N 0.771 109.597 108.800 0.045 0.000 2.496 952 G HA2 0.053 4.013 3.960 -0.000 0.000 0.214 952 G HA3 0.053 4.013 3.960 -0.000 0.000 0.214 952 G C 0.292 175.217 174.900 0.041 0.000 1.234 952 G CA 0.400 45.523 45.100 0.038 0.000 0.807 952 G HN 0.734 nan 8.290 nan 0.000 0.543 953 N N 0.358 119.078 118.700 0.033 0.000 2.443 953 N HA 0.430 5.170 4.740 -0.000 0.000 0.269 953 N C -1.270 174.262 175.510 0.037 0.000 0.985 953 N CA -0.224 52.847 53.050 0.035 0.000 0.921 953 N CB 2.258 40.758 38.487 0.022 0.000 1.195 953 N HN 0.224 nan 8.380 nan 0.000 0.492 954 M N 1.730 121.365 119.600 0.059 0.000 2.456 954 M HA 0.371 4.851 4.480 -0.000 0.000 0.324 954 M C -1.434 174.906 176.300 0.067 0.000 1.124 954 M CA -0.539 54.800 55.300 0.066 0.000 0.959 954 M CB 2.093 34.762 32.600 0.116 0.000 1.692 954 M HN 0.237 nan 8.290 nan 0.000 0.444 955 K N 5.398 125.824 120.400 0.043 0.000 2.507 955 K HA 0.609 4.929 4.320 -0.000 0.000 0.252 955 K C -2.160 174.458 176.600 0.030 0.000 0.943 955 K CA -0.519 55.788 56.287 0.034 0.000 0.808 955 K CB 1.551 34.056 32.500 0.009 0.000 1.142 955 K HN 0.784 nan 8.250 nan 0.000 0.426 956 L N 3.348 124.597 121.223 0.043 0.000 2.385 956 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 956 L C -0.675 176.212 176.870 0.029 0.000 0.990 956 L CA -0.764 54.097 54.840 0.035 0.000 0.821 956 L CB 2.080 44.166 42.059 0.045 0.000 1.279 956 L HN 0.629 nan 8.230 nan 0.000 0.412 957 N N 3.378 122.102 118.700 0.040 0.000 2.519 957 N HA 0.333 5.073 4.740 -0.000 0.000 0.286 957 N C -0.724 174.865 175.510 0.133 0.000 1.079 957 N CA -0.670 52.414 53.050 0.057 0.000 0.878 957 N CB 0.896 39.406 38.487 0.038 0.000 1.375 957 N HN 0.584 nan 8.380 nan 0.000 0.514 958 R N 0.719 121.339 120.500 0.200 0.000 3.251 958 R HA -0.135 4.205 4.340 -0.000 0.000 0.249 958 R C -0.973 175.645 176.300 0.530 0.000 0.949 958 R CA 0.662 57.016 56.100 0.425 0.000 0.645 958 R CB -2.379 28.149 30.300 0.380 0.000 1.065 958 R HN 0.449 nan 8.270 nan 0.000 0.452 959 T N 0.521 115.239 114.554 0.273 0.000 2.893 959 T HA 0.671 5.021 4.350 -0.000 0.000 0.291 959 T C -0.148 174.282 174.700 -0.450 0.000 1.028 959 T CA -0.674 61.388 62.100 -0.064 0.000 0.995 959 T CB 2.433 71.275 68.868 -0.043 0.000 1.051 959 T HN 0.272 nan 8.240 nan 0.000 0.470 960 I N 2.488 122.638 120.570 -0.700 0.000 2.465 960 I HA 0.620 4.790 4.170 -0.000 0.000 0.291 960 I C -1.314 174.528 176.117 -0.458 0.000 1.014 960 I CA -0.929 59.929 61.300 -0.736 0.000 1.093 960 I CB 1.226 38.623 38.000 -1.004 0.000 1.267 960 I HN 0.323 nan 8.210 nan 0.000 0.431 961 V N 6.629 126.224 119.914 -0.532 0.000 2.409 961 V HA 0.725 4.845 4.120 -0.000 0.000 0.291 961 V C 0.367 175.958 176.094 -0.838 0.000 1.020 961 V CA -0.423 61.502 62.300 -0.625 0.000 0.848 961 V CB 1.235 32.658 31.823 -0.666 0.000 0.990 961 V HN 0.867 nan 8.190 nan 0.000 0.430 962 G N 2.884 110.869 108.800 -1.359 0.000 2.519 962 G HA2 0.743 4.703 3.960 -0.000 0.000 0.307 962 G HA3 0.743 4.703 3.960 -0.000 0.000 0.307 962 G C -1.479 172.589 174.900 -1.388 0.000 1.266 962 G CA -0.535 43.489 45.100 -1.794 0.000 0.970 962 G HN 0.352 nan 8.290 nan 0.000 0.481 963 F N 1.383 120.845 119.950 -0.814 0.000 2.415 963 F HA 0.424 4.951 4.527 -0.000 0.000 0.348 963 F C 0.791 176.374 175.800 -0.362 0.000 1.119 963 F CA -0.996 56.694 58.000 -0.518 0.000 1.069 963 F CB 1.483 40.295 39.000 -0.313 0.000 1.124 963 F HN 0.253 nan 8.300 nan 0.000 0.472 964 N N 0.824 119.434 118.700 -0.150 0.000 2.669 964 N HA 0.676 5.416 4.740 -0.000 0.000 0.306 964 N C 0.595 176.074 175.510 -0.050 0.000 1.352 964 N CA 0.291 53.301 53.050 -0.067 0.000 0.886 964 N CB 0.158 38.600 38.487 -0.074 0.000 1.107 964 N HN 0.769 nan 8.380 nan 0.000 0.534 965 G N -1.008 107.755 108.800 -0.062 0.000 2.681 965 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 965 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 965 G C 0.124 174.971 174.900 -0.088 0.000 1.353 965 G CA -0.370 44.693 45.100 -0.060 0.000 0.872 965 G HN 0.741 nan 8.290 nan 0.000 0.557 966 G N -1.305 107.435 108.800 -0.100 0.000 2.368 966 G HA2 0.470 4.430 3.960 -0.000 0.000 0.233 966 G HA3 0.470 4.430 3.960 -0.000 0.000 0.233 966 G C 1.081 175.789 174.900 -0.320 0.000 1.267 966 G CA 1.270 46.273 45.100 -0.163 0.000 0.873 966 G HN 1.565 nan 8.290 nan 0.000 0.539 967 T N -0.415 113.907 114.554 -0.386 0.000 3.044 967 T HA 0.206 4.556 4.350 -0.000 0.000 0.255 967 T C 1.176 175.448 174.700 -0.714 0.000 1.073 967 T CA 1.121 62.805 62.100 -0.694 0.000 1.125 967 T CB -0.033 68.587 68.868 -0.413 0.000 0.908 967 T HN 0.493 nan 8.240 nan 0.000 0.480 968 S N 2.581 118.066 115.700 -0.359 0.000 2.383 968 S HA 0.533 5.003 4.470 -0.000 0.000 0.196 968 S C -2.621 171.903 174.600 -0.127 0.000 1.364 968 S CA -1.175 56.899 58.200 -0.210 0.000 1.212 968 S CB 0.754 63.870 63.200 -0.139 0.000 1.171 968 S HN 0.376 nan 8.310 nan 0.000 0.456 969 P HA 0.494 nan 4.420 nan 0.000 0.278 969 P C -0.027 177.177 177.300 -0.160 0.000 1.266 969 P CA -0.612 62.439 63.100 -0.082 0.000 0.807 969 P CB 0.427 32.127 31.700 0.001 0.000 1.094 970 F N -0.061 119.837 119.950 -0.087 0.000 2.444 970 F HA 0.199 4.726 4.527 -0.000 0.000 0.297 970 F C 1.737 177.467 175.800 -0.117 0.000 1.295 970 F CA 0.612 58.536 58.000 -0.127 0.000 1.286 970 F CB -0.095 38.793 39.000 -0.187 0.000 1.298 970 F HN 0.338 nan 8.300 nan 0.000 0.531 971 T N -2.385 112.217 114.554 0.080 0.000 2.912 971 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 971 T C -0.560 174.167 174.700 0.045 0.000 1.030 971 T CA -0.793 61.350 62.100 0.070 0.000 1.020 971 T CB 1.660 70.613 68.868 0.141 0.000 1.056 971 T HN 0.610 nan 8.240 nan 0.000 0.480 972 T N 2.013 116.632 114.554 0.108 0.000 2.863 972 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 972 T C -1.400 173.405 174.700 0.174 0.000 1.009 972 T CA -0.805 61.364 62.100 0.115 0.000 0.989 972 T CB 1.012 69.900 68.868 0.033 0.000 1.004 972 T HN 0.705 nan 8.240 nan 0.000 0.455 973 L N 5.034 126.377 121.223 0.200 0.000 2.294 973 L HA 0.660 5.000 4.340 -0.000 0.000 0.283 973 L C -0.392 176.531 176.870 0.088 0.000 1.015 973 L CA 0.066 54.981 54.840 0.126 0.000 0.831 973 L CB 1.258 43.368 42.059 0.084 0.000 1.217 973 L HN 0.652 nan 8.230 nan 0.000 0.420 974 T N 3.133 117.739 114.554 0.087 0.000 2.794 974 T HA 0.648 4.998 4.350 -0.000 0.000 0.280 974 T C -0.275 174.473 174.700 0.079 0.000 0.987 974 T CA -0.436 61.703 62.100 0.065 0.000 0.993 974 T CB 1.396 70.297 68.868 0.054 0.000 0.939 974 T HN 0.694 nan 8.240 nan 0.000 0.449 975 T N 1.235 115.829 114.554 0.067 0.000 2.923 975 T HA 0.341 4.690 4.350 -0.000 0.000 0.311 975 T C -0.100 174.637 174.700 0.063 0.000 1.183 975 T CA -0.588 61.558 62.100 0.077 0.000 1.020 975 T CB 1.800 70.730 68.868 0.103 0.000 1.165 975 T HN 0.453 nan 8.240 nan 0.000 0.482 976 D N 1.528 121.964 120.400 0.060 0.000 2.144 976 D HA 0.186 4.826 4.640 -0.000 0.000 0.207 976 D C 0.153 176.487 176.300 0.057 0.000 0.970 976 D CA 1.002 55.033 54.000 0.052 0.000 0.853 976 D CB 0.270 41.096 40.800 0.043 0.000 1.007 976 D HN 0.381 nan 8.370 nan 0.000 0.469 977 N N 0.428 119.165 118.700 0.060 0.000 2.399 977 N HA 0.352 5.092 4.740 -0.000 0.000 0.284 977 N C -1.427 174.129 175.510 0.077 0.000 1.025 977 N CA -0.508 52.580 53.050 0.063 0.000 0.885 977 N CB 2.576 41.093 38.487 0.050 0.000 1.339 977 N HN -0.010 nan 8.380 nan 0.000 0.487 978 L N 1.707 122.984 121.223 0.090 0.000 2.349 978 L HA 0.453 4.793 4.340 -0.000 0.000 0.278 978 L C -0.871 176.054 176.870 0.092 0.000 0.996 978 L CA -0.485 54.423 54.840 0.114 0.000 0.825 978 L CB 1.512 43.667 42.059 0.160 0.000 1.243 978 L HN 0.426 nan 8.230 nan 0.000 0.412 979 D N 4.290 124.737 120.400 0.079 0.000 2.441 979 D HA 0.681 5.321 4.640 -0.000 0.000 0.231 979 D C -1.024 175.306 176.300 0.051 0.000 1.073 979 D CA -0.088 53.943 54.000 0.050 0.000 0.850 979 D CB 1.390 42.212 40.800 0.036 0.000 1.062 979 D HN 0.746 nan 8.370 nan 0.000 0.524 980 A N 3.384 126.219 122.820 0.025 0.000 2.319 980 A HA 0.655 4.975 4.320 -0.000 0.000 0.310 980 A C -1.146 176.393 177.584 -0.075 0.000 1.152 980 A CA -0.614 51.441 52.037 0.031 0.000 0.783 980 A CB 1.320 20.404 19.000 0.140 0.000 1.184 980 A HN 0.419 nan 8.150 nan 0.000 0.474 981 V N 2.870 122.733 119.914 -0.086 0.000 2.709 981 V HA 0.324 4.444 4.120 -0.000 0.000 0.308 981 V C 0.142 176.161 176.094 -0.124 0.000 1.062 981 V CA -0.538 61.622 62.300 -0.233 0.000 0.901 981 V CB 1.558 33.206 31.823 -0.292 0.000 1.003 981 V HN 1.062 nan 8.190 nan 0.000 0.425 982 Q N 1.446 121.148 119.800 -0.162 0.000 2.411 982 Q HA -0.194 4.146 4.340 -0.000 0.000 0.305 982 Q C 0.213 176.279 176.000 0.109 0.000 1.273 982 Q CA 0.839 56.613 55.803 -0.048 0.000 0.895 982 Q CB -0.988 27.715 28.738 -0.058 0.000 1.198 982 Q HN 0.754 nan 8.270 nan 0.000 0.470 983 S N -1.072 114.727 115.700 0.165 0.000 2.715 983 S HA 0.932 5.402 4.470 -0.000 0.000 0.307 983 S C -0.554 174.223 174.600 0.295 0.000 1.119 983 S CA -0.349 58.022 58.200 0.284 0.000 0.937 983 S CB 2.273 65.508 63.200 0.058 0.000 1.150 983 S HN 0.467 nan 8.310 nan 0.000 0.521 984 A N 0.701 123.596 122.820 0.125 0.000 2.572 984 A HA 0.843 5.163 4.320 -0.000 0.000 0.295 984 A C -1.965 175.435 177.584 -0.306 0.000 1.072 984 A CA -0.642 51.495 52.037 0.167 0.000 0.691 984 A CB 0.810 20.107 19.000 0.496 0.000 1.291 984 A HN 0.528 nan 8.150 nan 0.000 0.404 985 F N 0.362 120.415 119.950 0.172 0.000 2.520 985 F HA 0.600 5.127 4.527 -0.000 0.000 0.322 985 F C -0.035 175.832 175.800 0.112 0.000 1.103 985 F CA -0.932 57.108 58.000 0.066 0.000 0.926 985 F CB 2.397 41.451 39.000 0.089 0.000 1.154 985 F HN 0.223 nan 8.300 nan 0.000 0.453 986 V N 5.287 125.295 119.914 0.156 0.000 2.304 986 V HA 0.392 4.512 4.120 -0.000 0.000 0.278 986 V C -0.009 176.161 176.094 0.127 0.000 1.018 986 V CA -0.611 61.764 62.300 0.126 0.000 0.814 986 V CB 0.833 32.630 31.823 -0.043 0.000 1.021 986 V HN 0.678 nan 8.190 nan 0.000 0.440 987 M N 3.717 123.343 119.600 0.043 0.000 2.528 987 M HA 0.718 5.198 4.480 -0.000 0.000 0.318 987 M C -0.516 175.655 176.300 -0.214 0.000 1.195 987 M CA -0.693 54.494 55.300 -0.188 0.000 1.000 987 M CB 1.314 33.639 32.600 -0.457 0.000 1.615 987 M HN 0.376 nan 8.290 nan 0.000 0.469 988 R N 0.378 120.731 120.500 -0.245 0.000 2.532 988 R HA 0.761 5.101 4.340 -0.000 0.000 0.295 988 R C -0.624 175.439 176.300 -0.396 0.000 0.968 988 R CA -0.562 55.451 56.100 -0.145 0.000 0.916 988 R CB 1.573 31.951 30.300 0.131 0.000 1.124 988 R HN 0.785 nan 8.270 nan 0.000 0.463 989 T N -0.769 113.600 114.554 -0.309 0.000 2.907 989 T HA 0.192 4.542 4.350 -0.000 0.000 0.292 989 T C -0.301 174.403 174.700 0.007 0.000 1.043 989 T CA -1.013 60.868 62.100 -0.365 0.000 1.003 989 T CB 1.643 70.356 68.868 -0.259 0.000 1.084 989 T HN 0.685 nan 8.240 nan 0.000 0.483 990 D N 0.856 121.314 120.400 0.097 0.000 2.525 990 D HA 0.236 4.876 4.640 -0.000 0.000 0.229 990 D C 0.999 177.360 176.300 0.101 0.000 1.202 990 D CA -0.599 53.506 54.000 0.174 0.000 0.828 990 D CB -0.102 40.851 40.800 0.256 0.000 1.008 990 D HN 0.283 nan 8.370 nan 0.000 0.493 991 L N -0.060 121.200 121.223 0.062 0.000 4.733 991 L HA -0.319 4.021 4.340 -0.000 0.000 0.388 991 L C 1.314 178.204 176.870 0.034 0.000 0.773 991 L CA 1.515 56.399 54.840 0.072 0.000 2.353 991 L CB -1.985 40.130 42.059 0.094 0.000 1.139 991 L HN 0.471 nan 8.230 nan 0.000 0.635 992 N N -0.780 117.939 118.700 0.031 0.000 2.245 992 N HA -0.027 4.713 4.740 -0.000 0.000 0.185 992 N C 0.651 176.149 175.510 -0.021 0.000 1.036 992 N CA 1.028 54.090 53.050 0.021 0.000 0.857 992 N CB 0.545 39.061 38.487 0.048 0.000 1.015 992 N HN 0.398 nan 8.380 nan 0.000 0.436 993 K N -0.682 119.694 120.400 -0.041 0.000 2.378 993 K HA 0.730 5.050 4.320 -0.000 0.000 0.244 993 K C -1.445 174.773 176.600 -0.636 0.000 1.039 993 K CA -0.913 55.274 56.287 -0.167 0.000 0.863 993 K CB 2.286 34.806 32.500 0.032 0.000 1.326 993 K HN 0.156 nan 8.250 nan 0.000 0.460 994 A N 0.342 122.670 122.820 -0.819 0.000 2.602 994 A HA 0.435 4.755 4.320 -0.000 0.000 0.290 994 A C -1.572 175.474 177.584 -0.896 0.000 1.114 994 A CA -0.854 50.431 52.037 -1.253 0.000 0.683 994 A CB 0.816 19.390 19.000 -0.709 0.000 1.281 994 A HN 0.656 nan 8.150 nan 0.000 0.416 995 D N 0.712 120.619 120.400 -0.822 0.000 2.368 995 D HA 0.342 4.982 4.640 -0.000 0.000 0.240 995 D C -0.327 175.575 176.300 -0.663 0.000 1.169 995 D CA 0.599 54.157 54.000 -0.737 0.000 0.906 995 D CB 0.875 40.825 40.800 -1.416 0.000 1.187 995 D HN 0.459 nan 8.370 nan 0.000 0.435 996 K N 0.803 120.882 120.400 -0.534 0.000 2.501 996 K HA 0.359 4.679 4.320 -0.000 0.000 0.252 996 K C -1.604 174.895 176.600 -0.169 0.000 0.934 996 K CA -0.824 55.279 56.287 -0.306 0.000 0.797 996 K CB 1.683 34.066 32.500 -0.195 0.000 1.270 996 K HN 0.169 nan 8.250 nan 0.000 0.431 997 L N 4.677 125.779 121.223 -0.201 0.000 2.272 997 L HA 0.447 4.787 4.340 -0.000 0.000 0.289 997 L C -1.499 175.259 176.870 -0.187 0.000 1.032 997 L CA -0.305 54.415 54.840 -0.199 0.000 0.810 997 L CB 1.556 43.322 42.059 -0.489 0.000 1.205 997 L HN 0.328 nan 8.230 nan 0.000 0.422 998 V N 7.137 126.998 119.914 -0.089 0.000 2.357 998 V HA 0.437 4.557 4.120 -0.000 0.000 0.284 998 V C 0.062 176.143 176.094 -0.022 0.000 1.018 998 V CA -0.367 61.902 62.300 -0.051 0.000 0.841 998 V CB 1.246 33.059 31.823 -0.016 0.000 0.991 998 V HN 0.611 nan 8.190 nan 0.000 0.437 999 I N 4.767 125.328 120.570 -0.015 0.000 2.330 999 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 999 I C 0.895 177.041 176.117 0.048 0.000 1.001 999 I CA -0.326 60.992 61.300 0.030 0.000 1.193 999 I CB 1.322 39.351 38.000 0.049 0.000 1.345 999 I HN 0.484 nan 8.210 nan 0.000 0.461 1000 N N 4.378 123.106 118.700 0.047 0.000 2.290 1000 N HA -0.004 4.736 4.740 -0.000 0.000 0.179 1000 N C 1.151 176.691 175.510 0.050 0.000 1.016 1000 N CA 1.206 54.282 53.050 0.044 0.000 0.871 1000 N CB 0.264 38.774 38.487 0.038 0.000 0.987 1000 N HN 0.555 nan 8.380 nan 0.000 0.431 1001 K N -0.495 119.938 120.400 0.054 0.000 2.474 1001 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 1001 K C -0.169 176.467 176.600 0.059 0.000 1.248 1001 K CA 0.083 56.401 56.287 0.051 0.000 0.946 1001 K CB 0.973 33.498 32.500 0.042 0.000 1.102 1001 K HN 0.095 nan 8.250 nan 0.000 0.541 1002 S N -0.028 115.713 115.700 0.069 0.000 2.560 1002 S HA 0.687 5.157 4.470 -0.000 0.000 0.283 1002 S C -1.621 173.032 174.600 0.087 0.000 1.141 1002 S CA -1.037 57.209 58.200 0.075 0.000 0.902 1002 S CB 1.779 65.016 63.200 0.060 0.000 1.104 1002 S HN 0.087 nan 8.310 nan 0.000 0.454 1003 A N 2.005 124.884 122.820 0.100 0.000 2.374 1003 A HA 0.940 5.260 4.320 -0.000 0.000 0.305 1003 A C -0.258 177.366 177.584 0.066 0.000 1.053 1003 A CA -0.666 51.433 52.037 0.103 0.000 0.726 1003 A CB 1.881 20.979 19.000 0.163 0.000 1.229 1003 A HN 0.959 nan 8.150 nan 0.000 0.431 1004 T N 0.238 114.812 114.554 0.033 0.000 2.868 1004 T HA 0.839 5.189 4.350 -0.000 0.000 0.306 1004 T C 0.260 174.957 174.700 -0.006 0.000 1.224 1004 T CA 0.576 62.691 62.100 0.025 0.000 1.012 1004 T CB 1.831 70.724 68.868 0.041 0.000 1.221 1004 T HN 2.506 nan 8.240 nan 0.000 0.499 1005 G N 1.530 110.342 108.800 0.021 0.000 2.384 1005 G HA2 0.311 4.271 3.960 -0.000 0.000 0.200 1005 G HA3 0.311 4.271 3.960 -0.000 0.000 0.200 1005 G C -1.177 173.772 174.900 0.082 0.000 1.205 1005 G CA 0.495 45.606 45.100 0.018 0.000 1.116 1005 G HN 1.717 nan 8.290 nan 0.000 0.547 1006 H N -2.045 116.982 119.070 -0.071 0.000 3.043 1006 H HA 0.551 5.107 4.556 -0.000 0.000 0.317 1006 H C -0.651 174.640 175.328 -0.061 0.000 1.321 1006 H CA 0.095 56.102 56.048 -0.068 0.000 1.243 1006 H CB 0.953 30.696 29.762 -0.031 0.000 1.924 1006 H HN 0.877 nan 8.280 nan 0.000 0.527 1007 D N 0.509 120.943 120.400 0.056 0.000 2.746 1007 D HA -0.175 4.465 4.640 -0.000 0.000 0.241 1007 D C -0.940 175.356 176.300 -0.007 0.000 1.140 1007 D CA 0.856 54.880 54.000 0.040 0.000 0.707 1007 D CB -1.070 39.787 40.800 0.096 0.000 1.034 1007 D HN 0.676 nan 8.370 nan 0.000 0.423 1008 N N 0.007 118.683 118.700 -0.040 0.000 2.417 1008 N HA 0.534 5.274 4.740 -0.000 0.000 0.300 1008 N C -0.400 175.218 175.510 0.181 0.000 1.102 1008 N CA -0.454 52.636 53.050 0.066 0.000 0.886 1008 N CB 1.666 40.148 38.487 -0.009 0.000 1.203 1008 N HN -0.057 nan 8.380 nan 0.000 0.496 1009 S N 0.923 116.818 115.700 0.324 0.000 2.532 1009 S HA 0.577 5.046 4.470 -0.000 0.000 0.301 1009 S C -0.204 174.683 174.600 0.478 0.000 1.083 1009 S CA -0.581 57.824 58.200 0.341 0.000 1.025 1009 S CB 1.185 64.595 63.200 0.350 0.000 1.056 1009 S HN 0.339 nan 8.310 nan 0.000 0.494 1010 I N 2.357 123.133 120.570 0.344 0.000 2.382 1010 I HA 0.396 4.566 4.170 -0.000 0.000 0.286 1010 I C -1.157 175.130 176.117 0.283 0.000 1.002 1010 I CA -0.086 61.412 61.300 0.331 0.000 1.135 1010 I CB 0.891 38.979 38.000 0.147 0.000 1.288 1010 I HN 0.566 nan 8.210 nan 0.000 0.448 1011 W N 5.735 127.098 121.300 0.104 0.000 2.512 1011 W HA 0.693 5.353 4.660 -0.000 0.000 0.335 1011 W C -0.656 175.843 176.519 -0.033 0.000 1.088 1011 W CA -0.726 56.658 57.345 0.066 0.000 1.236 1011 W CB 1.270 30.791 29.460 0.102 0.000 1.307 1011 W HN 0.010 nan 8.180 nan 0.000 0.567 1012 V N 3.708 123.675 119.914 0.088 0.000 2.483 1012 V HA 0.235 4.355 4.120 -0.000 0.000 0.297 1012 V C -0.361 175.596 176.094 -0.228 0.000 1.027 1012 V CA -1.195 60.968 62.300 -0.229 0.000 0.855 1012 V CB 1.510 32.963 31.823 -0.617 0.000 0.995 1012 V HN 0.444 nan 8.190 nan 0.000 0.424 1013 N N 4.379 122.970 118.700 -0.182 0.000 2.500 1013 N HA 0.320 5.060 4.740 -0.000 0.000 0.236 1013 N C -0.898 174.505 175.510 -0.178 0.000 1.022 1013 N CA -0.373 52.622 53.050 -0.093 0.000 0.935 1013 N CB 0.329 38.804 38.487 -0.021 0.000 1.147 1013 N HN 0.432 nan 8.380 nan 0.000 0.512 1014 F N 3.542 123.486 119.950 -0.009 0.000 2.466 1014 F HA 0.166 4.693 4.527 -0.000 0.000 0.363 1014 F C 1.583 177.372 175.800 -0.018 0.000 1.109 1014 F CA -0.409 57.579 58.000 -0.020 0.000 1.161 1014 F CB 0.642 39.620 39.000 -0.036 0.000 1.117 1014 F HN 0.316 nan 8.300 nan 0.000 0.539 1015 L N 3.582 124.894 121.223 0.148 0.000 2.612 1015 L HA 0.132 4.472 4.340 -0.000 0.000 0.230 1015 L C 0.197 177.147 176.870 0.134 0.000 1.140 1015 L CA 0.148 55.054 54.840 0.110 0.000 0.896 1015 L CB -0.771 41.357 42.059 0.116 0.000 1.065 1015 L HN 0.587 nan 8.230 nan 0.000 0.447 1016 K N -1.417 119.071 120.400 0.146 0.000 2.568 1016 K HA 0.361 4.681 4.320 -0.000 0.000 0.273 1016 K C -1.073 175.566 176.600 0.066 0.000 0.951 1016 K CA -0.938 55.413 56.287 0.108 0.000 0.854 1016 K CB 1.511 34.062 32.500 0.085 0.000 1.424 1016 K HN -0.280 nan 8.250 nan 0.000 0.427 1017 K N 2.594 122.995 120.400 0.001 0.000 2.383 1017 K HA 0.210 4.530 4.320 -0.000 0.000 0.286 1017 K C -2.007 174.486 176.600 -0.179 0.000 1.051 1017 K CA -1.645 54.569 56.287 -0.123 0.000 0.974 1017 K CB 0.535 32.975 32.500 -0.099 0.000 0.968 1017 K HN 0.478 nan 8.250 nan 0.000 0.475 1018 P HA 0.063 nan 4.420 nan 0.000 0.284 1018 P C -0.849 176.246 177.300 -0.341 0.000 1.253 1018 P CA -0.397 62.512 63.100 -0.319 0.000 0.800 1018 P CB 1.572 33.001 31.700 -0.453 0.000 0.961 1019 S N 1.604 117.279 115.700 -0.042 0.000 2.795 1019 S HA 0.317 4.787 4.470 -0.000 0.000 0.308 1019 S C 0.952 175.676 174.600 0.207 0.000 1.098 1019 S CA -0.690 57.551 58.200 0.069 0.000 0.934 1019 S CB 0.526 63.740 63.200 0.024 0.000 1.300 1019 S HN 0.392 nan 8.310 nan 0.000 0.566 1020 N N 0.197 118.977 118.700 0.134 0.000 2.376 1020 N HA 0.073 4.813 4.740 -0.000 0.000 0.177 1020 N C 1.114 176.657 175.510 0.054 0.000 1.024 1020 N CA 0.114 53.213 53.050 0.082 0.000 0.893 1020 N CB -0.061 38.454 38.487 0.048 0.000 0.980 1020 N HN 0.359 nan 8.380 nan 0.000 0.439 1021 K N 0.812 121.241 120.400 0.047 0.000 2.589 1021 K HA -0.022 4.298 4.320 -0.000 0.000 0.195 1021 K C -0.242 176.380 176.600 0.036 0.000 1.040 1021 K CA 0.827 57.134 56.287 0.033 0.000 0.950 1021 K CB -0.171 32.343 32.500 0.024 0.000 0.781 1021 K HN 0.262 nan 8.250 nan 0.000 0.486 1022 D N -1.730 118.702 120.400 0.052 0.000 2.592 1022 D HA 0.238 4.877 4.640 -0.000 0.000 0.263 1022 D C -1.171 175.164 176.300 0.059 0.000 1.132 1022 D CA -0.351 53.679 54.000 0.050 0.000 0.996 1022 D CB 1.940 42.768 40.800 0.048 0.000 1.442 1022 D HN -0.302 nan 8.370 nan 0.000 0.486 1023 T N 0.858 115.441 114.554 0.048 0.000 2.824 1023 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 1023 T C -0.743 173.986 174.700 0.048 0.000 0.993 1023 T CA -0.469 61.654 62.100 0.038 0.000 0.967 1023 T CB 0.522 69.402 68.868 0.019 0.000 0.960 1023 T HN 0.141 nan 8.240 nan 0.000 0.441 1024 L N 3.975 125.230 121.223 0.052 0.000 2.280 1024 L HA 0.509 4.849 4.340 -0.000 0.000 0.287 1024 L C -0.500 176.388 176.870 0.030 0.000 1.023 1024 L CA -0.509 54.369 54.840 0.063 0.000 0.819 1024 L CB 1.285 43.415 42.059 0.118 0.000 1.212 1024 L HN 0.591 nan 8.230 nan 0.000 0.420 1025 D N 4.832 125.239 120.400 0.013 0.000 2.468 1025 D HA 0.419 5.059 4.640 -0.000 0.000 0.272 1025 D C -0.957 175.328 176.300 -0.025 0.000 1.221 1025 D CA -0.065 53.931 54.000 -0.007 0.000 0.860 1025 D CB 0.549 41.343 40.800 -0.010 0.000 1.190 1025 D HN 0.223 nan 8.370 nan 0.000 0.509 1026 I N 2.800 123.349 120.570 -0.035 0.000 2.468 1026 I HA 0.366 4.536 4.170 -0.000 0.000 0.284 1026 I C -2.303 173.770 176.117 -0.073 0.000 1.038 1026 I CA -2.192 59.066 61.300 -0.071 0.000 1.083 1026 I CB 2.284 40.216 38.000 -0.113 0.000 1.223 1026 I HN 0.017 nan 8.210 nan 0.000 0.443 1027 P HA 0.169 nan 4.420 nan 0.000 0.271 1027 P C 0.136 177.375 177.300 -0.100 0.000 1.226 1027 P CA -0.000 63.063 63.100 -0.061 0.000 0.765 1027 P CB 1.513 33.182 31.700 -0.052 0.000 0.835 1028 L N 2.550 123.719 121.223 -0.089 0.000 2.467 1028 L HA 0.198 4.538 4.340 -0.000 0.000 0.213 1028 L C 0.579 177.316 176.870 -0.222 0.000 1.053 1028 L CA 0.444 55.183 54.840 -0.169 0.000 0.847 1028 L CB 0.321 42.283 42.059 -0.162 0.000 1.075 1028 L HN 0.109 nan 8.230 nan 0.000 0.479 1029 V N -0.201 119.612 119.914 -0.169 0.000 2.709 1029 V HA 0.471 4.591 4.120 -0.000 0.000 0.308 1029 V C -0.508 175.602 176.094 0.026 0.000 1.062 1029 V CA -0.644 61.482 62.300 -0.290 0.000 0.901 1029 V CB 1.841 33.169 31.823 -0.825 0.000 1.003 1029 V HN 0.258 nan 8.190 nan 0.000 0.425 1030 S N 2.300 117.995 115.700 -0.008 0.000 2.526 1030 S HA 0.996 5.466 4.470 -0.000 0.000 0.293 1030 S C -0.585 174.092 174.600 0.128 0.000 1.092 1030 S CA -0.269 58.000 58.200 0.115 0.000 0.980 1030 S CB 2.295 65.520 63.200 0.040 0.000 1.048 1030 S HN 1.736 nan 8.310 nan 0.000 0.483 1031 A N 1.819 124.774 122.820 0.226 0.000 2.606 1031 A HA 0.907 5.227 4.320 -0.000 0.000 0.293 1031 A C -3.262 174.427 177.584 0.175 0.000 1.082 1031 A CA -1.853 50.319 52.037 0.225 0.000 0.685 1031 A CB 0.612 19.840 19.000 0.380 0.000 1.284 1031 A HN 0.600 nan 8.150 nan 0.000 0.408 1032 P HA -0.014 nan 4.420 nan 0.000 0.266 1032 P C 0.448 177.812 177.300 0.106 0.000 1.180 1032 P CA 0.542 63.702 63.100 0.100 0.000 0.765 1032 P CB 0.388 32.143 31.700 0.093 0.000 0.806 1033 E N 1.979 122.216 120.200 0.062 0.000 2.160 1033 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 1033 E C 1.641 178.271 176.600 0.049 0.000 0.991 1033 E CA 1.548 57.970 56.400 0.037 0.000 0.810 1033 E CB -0.269 29.437 29.700 0.010 0.000 0.742 1033 E HN 0.515 nan 8.360 nan 0.000 0.466 1034 A N 1.301 124.160 122.820 0.065 0.000 2.238 1034 A HA 0.013 4.333 4.320 -0.000 0.000 0.208 1034 A C 0.948 178.591 177.584 0.099 0.000 1.177 1034 A CA 0.108 52.184 52.037 0.065 0.000 0.804 1034 A CB -0.197 18.834 19.000 0.052 0.000 0.823 1034 A HN 0.035 nan 8.150 nan 0.000 0.482 1035 T N 2.222 116.868 114.554 0.154 0.000 2.902 1035 T HA 0.386 4.736 4.350 -0.000 0.000 0.301 1035 T C 0.732 175.579 174.700 0.245 0.000 1.012 1035 T CA 0.252 62.486 62.100 0.224 0.000 1.151 1035 T CB 0.642 69.733 68.868 0.372 0.000 0.946 1035 T HN 0.608 nan 8.240 nan 0.000 0.542 1036 A N 3.291 126.229 122.820 0.198 0.000 2.587 1036 A HA 0.023 4.343 4.320 -0.000 0.000 0.233 1036 A C 1.429 179.208 177.584 0.325 0.000 1.049 1036 A CA -0.386 51.763 52.037 0.187 0.000 0.754 1036 A CB 0.097 19.174 19.000 0.128 0.000 0.977 1036 A HN 0.875 nan 8.150 nan 0.000 0.509 1037 D N 1.156 121.701 120.400 0.241 0.000 2.117 1037 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 1037 D C 1.150 177.748 176.300 0.498 0.000 0.987 1037 D CA 1.991 56.165 54.000 0.290 0.000 0.829 1037 D CB -0.157 40.701 40.800 0.096 0.000 0.961 1037 D HN 0.815 nan 8.370 nan 0.000 0.460 1038 N N 0.721 119.600 118.700 0.298 0.000 2.322 1038 N HA -0.024 4.716 4.740 -0.000 0.000 0.216 1038 N C 1.336 176.927 175.510 0.135 0.000 1.144 1038 N CA -0.079 53.115 53.050 0.240 0.000 0.830 1038 N CB -0.216 38.355 38.487 0.140 0.000 1.034 1038 N HN 0.085 nan 8.380 nan 0.000 0.484 1039 L N -0.878 120.402 121.223 0.095 0.000 2.201 1039 L HA 0.342 4.682 4.340 -0.000 0.000 0.212 1039 L C -0.500 175.998 176.870 -0.619 0.000 1.105 1039 L CA 1.125 55.823 54.840 -0.238 0.000 0.775 1039 L CB -0.183 41.691 42.059 -0.308 0.000 0.913 1039 L HN 0.050 nan 8.230 nan 0.000 0.440 1040 F N -0.239 119.615 119.950 -0.160 0.000 2.561 1040 F HA 0.670 5.197 4.527 -0.000 0.000 0.321 1040 F C 0.230 176.036 175.800 0.010 0.000 1.065 1040 F CA -0.900 56.933 58.000 -0.277 0.000 0.934 1040 F CB 1.226 39.659 39.000 -0.944 0.000 1.215 1040 F HN -0.315 nan 8.300 nan 0.000 0.471 1041 R N 1.611 122.250 120.500 0.232 0.000 2.579 1041 R HA 0.617 4.957 4.340 -0.000 0.000 0.260 1041 R C -1.627 174.764 176.300 0.151 0.000 1.103 1041 R CA -0.632 55.585 56.100 0.194 0.000 0.942 1041 R CB 1.671 32.051 30.300 0.133 0.000 1.251 1041 R HN 0.846 nan 8.270 nan 0.000 0.450 1042 A N 2.556 125.447 122.820 0.119 0.000 2.462 1042 A HA 0.230 4.550 4.320 -0.000 0.000 0.243 1042 A C 0.330 177.898 177.584 -0.026 0.000 1.076 1042 A CA 0.288 52.363 52.037 0.064 0.000 0.773 1042 A CB 0.440 19.478 19.000 0.063 0.000 1.010 1042 A HN 0.696 nan 8.150 nan 0.000 0.493 1043 S N 0.493 116.110 115.700 -0.139 0.000 2.563 1043 S HA 0.111 4.581 4.470 -0.000 0.000 0.284 1043 S C 1.281 175.697 174.600 -0.307 0.000 1.331 1043 S CA 0.450 58.394 58.200 -0.428 0.000 1.047 1043 S CB 0.335 62.867 63.200 -1.113 0.000 0.859 1043 S HN 0.722 nan 8.310 nan 0.000 0.514 1044 T N 4.750 119.110 114.554 -0.323 0.000 3.081 1044 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 1044 T C 0.549 175.110 174.700 -0.233 0.000 1.100 1044 T CA 0.462 62.442 62.100 -0.200 0.000 1.038 1044 T CB 0.011 68.802 68.868 -0.128 0.000 0.962 1044 T HN 0.496 nan 8.240 nan 0.000 0.516 1045 R N 0.304 120.531 120.500 -0.454 0.000 2.854 1045 R HA 0.663 5.003 4.340 -0.000 0.000 0.271 1045 R C -0.948 175.171 176.300 -0.302 0.000 0.994 1045 R CA -0.784 55.110 56.100 -0.343 0.000 0.945 1045 R CB 2.106 32.244 30.300 -0.271 0.000 1.194 1045 R HN 0.075 nan 8.270 nan 0.000 0.476 1046 V N 0.626 120.536 119.914 -0.007 0.000 2.716 1046 V HA 0.675 4.795 4.120 -0.000 0.000 0.304 1046 V C -0.685 175.605 176.094 0.327 0.000 1.053 1046 V CA -0.385 61.998 62.300 0.138 0.000 0.984 1046 V CB 1.821 33.729 31.823 0.143 0.000 1.021 1046 V HN 0.483 nan 8.190 nan 0.000 0.467 1047 V N 6.006 126.136 119.914 0.360 0.000 2.789 1047 V HA 0.980 5.100 4.120 -0.000 0.000 0.311 1047 V C 0.316 176.502 176.094 0.153 0.000 1.073 1047 V CA 0.733 63.228 62.300 0.326 0.000 0.921 1047 V CB 1.070 33.147 31.823 0.425 0.000 1.009 1047 V HN 2.421 nan 8.190 nan 0.000 0.426 1048 G N 5.090 113.897 108.800 0.012 0.000 2.627 1048 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.214 1048 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.214 1048 G C -0.189 174.639 174.900 -0.120 0.000 1.331 1048 G CA 0.250 45.194 45.100 -0.259 0.000 0.891 1048 G HN 1.107 nan 8.290 nan 0.000 0.539 1049 F N 1.221 121.235 119.950 0.106 0.000 2.765 1049 F HA 0.215 4.742 4.527 -0.000 0.000 0.302 1049 F C 2.650 178.478 175.800 0.046 0.000 1.111 1049 F CA 0.616 58.656 58.000 0.066 0.000 1.359 1049 F CB 0.528 39.556 39.000 0.047 0.000 1.097 1049 F HN 0.512 nan 8.300 nan 0.000 0.577 1050 S N -0.754 115.052 115.700 0.176 0.000 2.461 1050 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 1050 S C 1.027 175.624 174.600 -0.005 0.000 1.005 1050 S CA 0.820 59.055 58.200 0.059 0.000 0.942 1050 S CB -0.283 62.930 63.200 0.022 0.000 0.776 1050 S HN 0.374 nan 8.310 nan 0.000 0.514 1051 D N 0.221 120.654 120.400 0.055 0.000 2.911 1051 D HA -0.155 4.485 4.640 -0.000 0.000 0.227 1051 D C -0.167 176.124 176.300 -0.015 0.000 1.164 1051 D CA 1.081 55.101 54.000 0.032 0.000 0.782 1051 D CB -1.827 38.989 40.800 0.028 0.000 1.094 1051 D HN 0.829 nan 8.370 nan 0.000 0.425 1052 V N -4.824 115.061 119.914 -0.047 0.000 3.040 1052 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 1052 V C 0.269 176.427 176.094 0.107 0.000 1.115 1052 V CA -0.466 61.798 62.300 -0.061 0.000 0.998 1052 V CB 2.432 34.069 31.823 -0.310 0.000 1.042 1052 V HN -0.019 nan 8.190 nan 0.000 0.433 1053 T N 4.008 118.657 114.554 0.157 0.000 2.855 1053 T HA 0.666 5.016 4.350 -0.000 0.000 0.281 1053 T C -2.800 172.085 174.700 0.308 0.000 1.007 1053 T CA -1.175 61.046 62.100 0.201 0.000 1.009 1053 T CB 2.118 71.029 68.868 0.072 0.000 0.983 1053 T HN 0.846 nan 8.240 nan 0.000 0.455 1054 P HA 0.421 nan 4.420 nan 0.000 0.276 1054 P C -0.891 176.522 177.300 0.188 0.000 1.244 1054 P CA -0.436 62.875 63.100 0.351 0.000 0.801 1054 P CB 0.907 32.718 31.700 0.184 0.000 1.006 1055 I N 1.660 122.331 120.570 0.168 0.000 2.404 1055 I HA 0.354 4.524 4.170 -0.000 0.000 0.293 1055 I C 0.094 176.265 176.117 0.091 0.000 0.992 1055 I CA -0.818 60.537 61.300 0.091 0.000 1.149 1055 I CB 1.365 39.387 38.000 0.036 0.000 1.315 1055 I HN 0.081 nan 8.210 nan 0.000 0.446 1056 L N 5.963 127.241 121.223 0.093 0.000 2.325 1056 L HA 0.477 4.817 4.340 -0.000 0.000 0.281 1056 L C -0.236 176.684 176.870 0.082 0.000 1.004 1056 L CA -0.325 54.584 54.840 0.115 0.000 0.823 1056 L CB 1.902 44.082 42.059 0.201 0.000 1.236 1056 L HN 0.664 nan 8.230 nan 0.000 0.415 1057 S N 2.263 117.980 115.700 0.028 0.000 2.536 1057 S HA 0.679 5.149 4.470 -0.000 0.000 0.298 1057 S C -0.588 173.928 174.600 -0.141 0.000 1.083 1057 S CA -0.814 57.363 58.200 -0.038 0.000 0.995 1057 S CB 2.246 65.422 63.200 -0.040 0.000 1.058 1057 S HN 0.176 nan 8.310 nan 0.000 0.488 1058 V N 3.735 123.504 119.914 -0.240 0.000 2.461 1058 V HA 0.543 4.663 4.120 -0.000 0.000 0.275 1058 V C 0.657 176.581 176.094 -0.284 0.000 1.047 1058 V CA -0.475 61.561 62.300 -0.440 0.000 0.955 1058 V CB 0.429 31.934 31.823 -0.530 0.000 0.988 1058 V HN 1.027 nan 8.190 nan 0.000 0.471 1059 R N 4.406 124.740 120.500 -0.276 0.000 2.930 1059 R HA 0.732 5.072 4.340 -0.000 0.000 0.257 1059 R C -1.264 174.922 176.300 -0.190 0.000 1.107 1059 R CA -1.132 54.857 56.100 -0.185 0.000 0.999 1059 R CB 2.196 32.421 30.300 -0.125 0.000 1.209 1059 R HN 0.512 nan 8.270 nan 0.000 0.486 1060 K N 0.494 120.817 120.400 -0.128 0.000 2.259 1060 K HA 0.408 4.728 4.320 -0.000 0.000 0.249 1060 K C -1.236 175.324 176.600 -0.067 0.000 0.942 1060 K CA -0.894 55.334 56.287 -0.098 0.000 0.816 1060 K CB 1.889 34.341 32.500 -0.079 0.000 1.155 1060 K HN 0.672 nan 8.250 nan 0.000 0.428 1061 E N 1.541 121.710 120.200 -0.051 0.000 2.830 1061 E HA 0.053 4.402 4.350 -0.000 0.000 0.333 1061 E C -1.592 174.993 176.600 -0.026 0.000 0.974 1061 E CA -0.126 56.251 56.400 -0.039 0.000 0.819 1061 E CB 0.464 30.137 29.700 -0.045 0.000 1.293 1061 E HN 0.636 nan 8.360 nan 0.000 0.419 1062 D N 3.745 124.134 120.400 -0.019 0.000 2.723 1062 D HA -0.197 4.443 4.640 -0.000 0.000 0.236 1062 D C 0.548 176.844 176.300 -0.006 0.000 1.138 1062 D CA 1.779 55.772 54.000 -0.012 0.000 0.676 1062 D CB -1.109 39.684 40.800 -0.011 0.000 1.069 1062 D HN 1.198 nan 8.370 nan 0.000 0.430 1063 G N -0.184 108.613 108.800 -0.006 0.000 2.176 1063 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 1063 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 1063 G C 0.068 174.973 174.900 0.008 0.000 1.024 1063 G CA 0.924 46.024 45.100 0.001 0.000 0.755 1063 G HN 0.454 nan 8.290 nan 0.000 0.507 1064 K N -0.917 119.484 120.400 0.003 0.000 2.550 1064 K HA 0.475 4.795 4.320 -0.000 0.000 0.252 1064 K C -0.206 176.389 176.600 -0.008 0.000 0.943 1064 K CA -0.900 55.396 56.287 0.016 0.000 0.806 1064 K CB 1.732 34.246 32.500 0.023 0.000 1.289 1064 K HN 0.208 nan 8.250 nan 0.000 0.435 1065 K N 1.895 122.295 120.400 0.000 0.000 2.412 1065 K HA 0.100 4.420 4.320 -0.000 0.000 0.281 1065 K C -0.823 175.724 176.600 -0.089 0.000 1.027 1065 K CA 0.376 56.598 56.287 -0.108 0.000 0.989 1065 K CB 0.544 32.954 32.500 -0.151 0.000 0.935 1065 K HN 0.464 nan 8.250 nan 0.000 0.475 1066 E N 3.425 123.502 120.200 -0.206 0.000 2.195 1066 E HA 0.234 4.584 4.350 -0.000 0.000 0.271 1066 E C -1.042 175.420 176.600 -0.229 0.000 0.923 1066 E CA -0.723 55.627 56.400 -0.085 0.000 0.790 1066 E CB 1.070 30.735 29.700 -0.059 0.000 1.155 1066 E HN 0.529 nan 8.360 nan 0.000 0.402 1067 W N 3.449 124.689 121.300 -0.100 0.000 2.314 1067 W HA 0.339 4.998 4.660 -0.000 0.000 0.310 1067 W C -0.862 175.601 176.519 -0.094 0.000 1.075 1067 W CA -0.615 56.680 57.345 -0.083 0.000 1.253 1067 W CB 1.310 30.703 29.460 -0.112 0.000 1.238 1067 W HN 0.209 nan 8.180 nan 0.000 0.440 1068 V N 5.714 125.660 119.914 0.053 0.000 2.398 1068 V HA 0.148 4.268 4.120 -0.000 0.000 0.286 1068 V C 0.000 176.110 176.094 0.026 0.000 1.026 1068 V CA -1.009 61.296 62.300 0.010 0.000 0.868 1068 V CB 1.523 33.327 31.823 -0.032 0.000 0.982 1068 V HN 0.288 nan 8.190 nan 0.000 0.443 1069 L N 3.951 125.179 121.223 0.008 0.000 2.456 1069 L HA 0.327 4.667 4.340 -0.000 0.000 0.277 1069 L C 0.430 177.326 176.870 0.043 0.000 1.124 1069 L CA 0.959 55.816 54.840 0.027 0.000 0.880 1069 L CB 0.155 42.206 42.059 -0.013 0.000 1.192 1069 L HN 0.757 nan 8.230 nan 0.000 0.463 1070 D N 2.495 122.932 120.400 0.061 0.000 2.514 1070 D HA 0.402 5.042 4.640 -0.000 0.000 0.225 1070 D C 0.192 176.509 176.300 0.028 0.000 1.159 1070 D CA 0.794 54.812 54.000 0.031 0.000 0.823 1070 D CB 0.902 41.711 40.800 0.015 0.000 1.097 1070 D HN 0.696 nan 8.370 nan 0.000 0.519 1071 G N -0.690 108.152 108.800 0.070 0.000 2.324 1071 G HA2 0.387 4.347 3.960 -0.000 0.000 0.293 1071 G HA3 0.387 4.347 3.960 -0.000 0.000 0.293 1071 G C -1.899 173.066 174.900 0.108 0.000 1.297 1071 G CA -0.501 44.603 45.100 0.007 0.000 0.853 1071 G HN 0.109 nan 8.290 nan 0.000 0.535 1072 Y N -1.622 118.687 120.300 0.014 0.000 2.609 1072 Y HA 0.860 5.410 4.550 -0.000 0.000 0.342 1072 Y C -0.469 175.409 175.900 -0.036 0.000 1.058 1072 Y CA -1.253 56.836 58.100 -0.018 0.000 1.055 1072 Y CB 1.440 39.757 38.460 -0.239 0.000 1.292 1072 Y HN 0.602 nan 8.280 nan 0.000 0.476 1073 Q N 1.357 121.266 119.800 0.181 0.000 2.377 1073 Q HA 0.514 4.854 4.340 -0.000 0.000 0.271 1073 Q C -1.019 175.087 176.000 0.176 0.000 1.077 1073 Q CA -1.425 54.440 55.803 0.103 0.000 0.820 1073 Q CB 3.287 32.052 28.738 0.046 0.000 1.347 1073 Q HN 0.672 nan 8.270 nan 0.000 0.444 1074 V N 1.675 121.670 119.914 0.135 0.000 2.617 1074 V HA -0.026 4.094 4.120 -0.000 0.000 0.304 1074 V C 0.344 176.469 176.094 0.052 0.000 1.040 1074 V CA 0.261 62.612 62.300 0.086 0.000 1.149 1074 V CB 0.477 32.337 31.823 0.062 0.000 0.914 1074 V HN 0.846 nan 8.190 nan 0.000 0.487 1075 A N 6.720 129.564 122.820 0.040 0.000 2.451 1075 A HA 0.266 4.586 4.320 -0.000 0.000 0.266 1075 A C 0.700 178.298 177.584 0.024 0.000 1.119 1075 A CA -0.209 51.847 52.037 0.033 0.000 0.786 1075 A CB -0.131 18.890 19.000 0.036 0.000 1.061 1075 A HN 0.833 nan 8.150 nan 0.000 0.503 1076 R N 2.941 123.451 120.500 0.016 0.000 2.421 1076 R HA -0.025 4.315 4.340 -0.000 0.000 0.305 1076 R C -0.336 175.973 176.300 0.015 0.000 1.039 1076 R CA -0.206 55.901 56.100 0.012 0.000 1.003 1076 R CB 0.226 30.528 30.300 0.004 0.000 0.959 1076 R HN 0.791 nan 8.270 nan 0.000 0.427 1077 N N 4.061 122.771 118.700 0.018 0.000 2.402 1077 N HA -0.067 4.673 4.740 -0.000 0.000 0.259 1077 N C -0.723 174.798 175.510 0.019 0.000 1.167 1077 N CA -0.216 52.848 53.050 0.022 0.000 0.949 1077 N CB 0.671 39.172 38.487 0.024 0.000 1.212 1077 N HN 0.533 nan 8.380 nan 0.000 0.493 1078 D N 2.451 122.862 120.400 0.020 0.000 2.722 1078 D HA 0.176 4.816 4.640 -0.000 0.000 0.239 1078 D C 0.795 177.108 176.300 0.022 0.000 1.249 1078 D CA -0.513 53.497 54.000 0.016 0.000 0.830 1078 D CB -0.784 40.021 40.800 0.009 0.000 1.025 1078 D HN 0.588 nan 8.370 nan 0.000 0.486 1079 G N 1.114 109.929 108.800 0.025 0.000 2.246 1079 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 1079 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 1079 G C 0.650 175.569 174.900 0.033 0.000 1.055 1079 G CA 0.020 45.136 45.100 0.026 0.000 0.851 1079 G HN 0.369 nan 8.290 nan 0.000 0.500 1080 Q N -0.863 118.962 119.800 0.041 0.000 2.246 1080 Q HA 0.390 4.730 4.340 -0.000 0.000 0.222 1080 Q C 1.691 177.725 176.000 0.057 0.000 0.851 1080 Q CA 1.126 56.961 55.803 0.053 0.000 0.945 1080 Q CB 0.731 29.509 28.738 0.068 0.000 1.122 1080 Q HN 1.832 nan 8.270 nan 0.000 0.508 1081 G N 2.008 110.838 108.800 0.050 0.000 2.593 1081 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.237 1081 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.237 1081 G C -0.432 174.504 174.900 0.061 0.000 1.312 1081 G CA -0.586 44.544 45.100 0.050 0.000 0.896 1081 G HN 0.100 nan 8.290 nan 0.000 0.574 1082 K N 0.514 120.951 120.400 0.062 0.000 2.336 1082 K HA 0.494 4.814 4.320 -0.000 0.000 0.262 1082 K C 0.839 177.497 176.600 0.098 0.000 0.992 1082 K CA 0.488 56.818 56.287 0.073 0.000 0.927 1082 K CB 0.570 33.107 32.500 0.061 0.000 0.956 1082 K HN 1.243 nan 8.250 nan 0.000 0.495 1083 A N 1.168 124.058 122.820 0.116 0.000 2.327 1083 A HA 0.467 4.787 4.320 -0.000 0.000 0.283 1083 A C -0.016 177.659 177.584 0.152 0.000 1.127 1083 A CA -0.335 51.794 52.037 0.154 0.000 0.810 1083 A CB 0.419 19.518 19.000 0.165 0.000 1.066 1083 A HN 0.727 nan 8.150 nan 0.000 0.492 1084 A N 1.295 124.224 122.820 0.183 0.000 2.580 1084 A HA 0.397 4.717 4.320 -0.000 0.000 0.244 1084 A C 1.426 179.086 177.584 0.128 0.000 1.045 1084 A CA 0.523 52.656 52.037 0.160 0.000 0.761 1084 A CB -0.336 18.775 19.000 0.185 0.000 0.962 1084 A HN 1.947 nan 8.150 nan 0.000 0.512 1085 A N 2.695 125.553 122.820 0.064 0.000 1.929 1085 A HA 0.303 4.623 4.320 -0.000 0.000 0.216 1085 A C 1.446 179.035 177.584 0.008 0.000 1.176 1085 A CA 1.932 54.001 52.037 0.053 0.000 0.628 1085 A CB -0.479 18.561 19.000 0.066 0.000 0.816 1085 A HN 1.550 nan 8.150 nan 0.000 0.444 1086 T N -5.588 109.081 114.554 0.192 0.000 2.804 1086 T HA 0.459 4.809 4.350 -0.000 0.000 0.290 1086 T C 0.619 175.390 174.700 0.118 0.000 1.099 1086 T CA 0.061 62.248 62.100 0.144 0.000 1.011 1086 T CB 0.550 69.510 68.868 0.153 0.000 1.291 1086 T HN 0.600 nan 8.240 nan 0.000 0.523 1087 F N 0.439 120.357 119.950 -0.053 0.000 2.293 1087 F HA 0.142 4.669 4.527 -0.000 0.000 0.300 1087 F C 1.981 177.681 175.800 -0.167 0.000 1.086 1087 F CA 0.885 58.796 58.000 -0.147 0.000 1.375 1087 F CB -0.492 38.396 39.000 -0.187 0.000 1.045 1087 F HN 0.403 nan 8.300 nan 0.000 0.516 1088 M N 0.699 119.705 119.600 -0.991 0.000 2.358 1088 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 1088 M C 1.262 177.182 176.300 -0.634 0.000 1.064 1088 M CA 1.707 56.407 55.300 -1.000 0.000 1.093 1088 M CB -1.071 31.098 32.600 -0.718 0.000 1.401 1088 M HN 0.296 nan 8.290 nan 0.000 0.440 1089 H N -1.520 117.410 119.070 -0.233 0.000 2.539 1089 H HA 0.323 4.879 4.556 -0.000 0.000 0.269 1089 H C -0.157 175.135 175.328 -0.060 0.000 0.980 1089 H CA -0.150 55.840 56.048 -0.096 0.000 1.152 1089 H CB -0.052 29.694 29.762 -0.026 0.000 1.407 1089 H HN 0.198 nan 8.280 nan 0.000 0.564 1090 I N 2.804 123.344 120.570 -0.049 0.000 2.406 1090 I HA -0.020 4.150 4.170 -0.000 0.000 0.293 1090 I C 0.605 176.772 176.117 0.085 0.000 1.101 1090 I CA -0.386 60.897 61.300 -0.029 0.000 1.334 1090 I CB 0.188 38.047 38.000 -0.235 0.000 1.421 1090 I HN 0.254 nan 8.210 nan 0.000 0.513 1091 S N 5.619 121.381 115.700 0.103 0.000 2.589 1091 S HA -0.027 4.443 4.470 -0.000 0.000 0.265 1091 S C 1.014 175.630 174.600 0.027 0.000 1.342 1091 S CA -0.263 57.986 58.200 0.082 0.000 1.005 1091 S CB 0.692 63.927 63.200 0.059 0.000 0.909 1091 S HN 0.626 nan 8.310 nan 0.000 0.555 1092 Y N 1.887 121.912 120.300 -0.459 0.000 2.224 1092 Y HA -0.168 4.382 4.550 -0.000 0.000 0.289 1092 Y C 2.493 178.349 175.900 -0.075 0.000 1.146 1092 Y CA 2.175 59.914 58.100 -0.602 0.000 1.182 1092 Y CB -0.371 37.478 38.460 -1.017 0.000 0.983 1092 Y HN 0.896 nan 8.280 nan 0.000 0.524 1093 N N 0.179 118.855 118.700 -0.039 0.000 2.142 1093 N HA -0.249 4.491 4.740 -0.000 0.000 0.186 1093 N C 1.707 177.188 175.510 -0.048 0.000 1.023 1093 N CA 1.284 54.303 53.050 -0.052 0.000 0.852 1093 N CB -0.401 38.107 38.487 0.036 0.000 0.998 1093 N HN 0.397 nan 8.380 nan 0.000 0.424 1094 N N 1.083 119.807 118.700 0.040 0.000 2.025 1094 N HA -0.217 4.523 4.740 -0.000 0.000 0.194 1094 N C 1.777 177.397 175.510 0.183 0.000 1.044 1094 N CA 1.477 54.606 53.050 0.131 0.000 0.851 1094 N CB -0.910 37.686 38.487 0.181 0.000 1.036 1094 N HN 0.390 nan 8.380 nan 0.000 0.422 1095 F N 0.160 120.116 119.950 0.011 0.000 2.095 1095 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 1095 F C 2.172 177.967 175.800 -0.010 0.000 1.104 1095 F CA 1.257 59.279 58.000 0.036 0.000 1.232 1095 F CB -0.447 38.529 39.000 -0.040 0.000 0.987 1095 F HN 0.110 nan 8.300 nan 0.000 0.475 1096 I N 1.024 121.105 120.570 -0.814 0.000 2.500 1096 I HA -0.145 4.025 4.170 -0.000 0.000 0.252 1096 I C 2.537 178.389 176.117 -0.443 0.000 1.142 1096 I CA 1.821 62.543 61.300 -0.964 0.000 1.451 1096 I CB -0.717 36.701 38.000 -0.970 0.000 1.093 1096 I HN 0.450 nan 8.210 nan 0.000 0.430 1097 T N -2.544 111.861 114.554 -0.248 0.000 2.951 1097 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 1097 T C 1.869 176.525 174.700 -0.073 0.000 1.073 1097 T CA 0.978 63.008 62.100 -0.117 0.000 1.134 1097 T CB -0.357 68.481 68.868 -0.050 0.000 0.884 1097 T HN 0.317 nan 8.240 nan 0.000 0.479 1098 E N 1.170 121.350 120.200 -0.033 0.000 2.047 1098 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 1098 E C 2.276 178.859 176.600 -0.027 0.000 0.987 1098 E CA 0.857 57.270 56.400 0.022 0.000 0.799 1098 E CB -0.435 29.393 29.700 0.213 0.000 0.752 1098 E HN 0.414 nan 8.360 nan 0.000 0.449 1099 V N 1.356 121.209 119.914 -0.102 0.000 2.392 1099 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 1099 V C 1.157 177.209 176.094 -0.070 0.000 1.059 1099 V CA 1.365 63.606 62.300 -0.098 0.000 1.051 1099 V CB -0.549 31.131 31.823 -0.238 0.000 0.658 1099 V HN 0.216 nan 8.190 nan 0.000 0.455 1100 N N 0.000 118.645 118.700 -0.092 0.000 1.763 1100 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1100 N CA 0.000 53.016 53.050 -0.056 0.000 0.885 1100 N CB 0.000 38.445 38.487 -0.070 0.000 1.341 1100 N HN 0.000 nan 8.380 nan 0.000 0.667