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 1rrl_1_B DATA FIRST_RESID 8 DATA SEQUENCE RGHKIKGTVV LMRKNVLDVN SVTSVGGIIG QGLDLVGSTL DTLTAFLGRS DATA SEQUENCE VSLQLISATK ADANGKGKLG KATFLEGIIT SLPTLGAGQS AFKINFEWDD DATA SEQUENCE GSGIPGAFYI KNFMQTEFFL VSLTLEDIPN HGSIHFVCNS WIYNAKLFKS DATA SEQUENCE DRIFFANQTY LPSETPAPLV KYREEELHNL RGDGTGERKE WERIYDYDVY DATA SEQUENCE NDLGDPDKGE NHARPVLGGN DTFPYPRRGR TGRKPTRKDP NSESRSNDVY DATA SEQUENCE LPRDEAFGHL KSSDFLTYGL KSVSQNVLPL LQSAFDLNFT PREFDSFDEV DATA SEQUENCE HGLYSGGIKL PTDIISKISP LPVLKEIFRT DGEQALKFPP PKVIQVSKSA DATA SEQUENCE WMTDEEFARE MLAGVNPNLI RCLKDFPPRS KLDSQVYGDH TSQITKEHLE DATA SEQUENCE PNLEGLTVDE AIQNKRLFLL DHHDPIMPYL RRINATSTKA YATRTILFLK DATA SEQUENCE NDGTLRPLAI ELSLPHPQGD QSGAFSQVFL PADEGVESSI WLLAKAYVVV DATA SEQUENCE NDSCYHQLVS HWLNTHAVVE PFIIATNRHL SVVHPIYKLL HPHYRDTMNI DATA SEQUENCE NGLARLSLVN DGGVIEQTFL WGRYSVEMSA VVYKDWVFTD QALPADLIKR DATA SEQUENCE GMAIEDPSCP HGIRLVIEDY PYTVDGLEIW DAIKTWVHEY VFLYYKSDDT DATA SEQUENCE LREDPELQAC WKELVEVGHG DKKNEPWWPK MQTREELVEA CAIIIWTASA DATA SEQUENCE LHAAVNFGQY PYGGLILNRP TLSRRFMPEK GSAEYEELRK NPQKAYLKTI DATA SEQUENCE TPKFQTLIDL SVIEILSRHA SDEVYLGERD NPNWTSDTRA LEAFKRFGNK DATA SEQUENCE LAQIENKLSE RNNDEKLRNR CGPVQMPYTL LLPSSKEGLT FRGIPNSISI 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.333 176.300 0.055 0.000 0.893 8 R CA 0.000 56.122 56.100 0.036 0.000 0.921 8 R CB 0.000 30.320 30.300 0.033 0.000 0.687 9 G N 0.618 109.468 108.800 0.082 0.000 2.701 9 G HA2 0.494 4.385 3.960 -0.116 0.000 0.300 9 G HA3 0.494 4.385 3.960 -0.116 0.000 0.300 9 G C -2.050 172.967 174.900 0.196 0.000 1.410 9 G CA -0.544 44.628 45.100 0.120 0.000 1.014 9 G HN 0.643 nan 8.290 nan 0.000 0.509 10 H N 0.961 120.099 119.070 0.113 0.000 2.457 10 H HA 0.540 5.026 4.556 -0.116 0.000 0.335 10 H C -0.101 175.318 175.328 0.151 0.000 1.115 10 H CA -0.732 55.385 56.048 0.115 0.000 1.219 10 H CB 1.692 31.517 29.762 0.106 0.000 1.471 10 H HN 0.310 nan 8.280 nan 0.000 0.491 11 K N 5.040 125.337 120.400 -0.172 0.000 2.363 11 K HA 0.190 4.441 4.320 -0.116 0.000 0.289 11 K C -0.108 176.221 176.600 -0.453 0.000 1.063 11 K CA -0.070 56.093 56.287 -0.207 0.000 0.967 11 K CB -0.056 32.388 32.500 -0.093 0.000 0.987 11 K HN 0.555 nan 8.250 nan 0.000 0.473 12 I N 4.164 124.618 120.570 -0.193 0.000 2.618 12 I HA -0.048 4.053 4.170 -0.116 0.000 0.284 12 I C 0.476 176.554 176.117 -0.064 0.000 1.146 12 I CA 0.177 61.383 61.300 -0.156 0.000 1.425 12 I CB 0.592 38.491 38.000 -0.168 0.000 1.383 12 I HN 0.388 nan 8.210 nan 0.000 0.562 13 K N 4.403 124.759 120.400 -0.073 0.000 2.258 13 K HA 0.445 4.696 4.320 -0.116 0.000 0.284 13 K C 0.071 176.670 176.600 -0.001 0.000 1.051 13 K CA -0.148 56.110 56.287 -0.048 0.000 0.923 13 K CB 1.340 33.818 32.500 -0.038 0.000 1.046 13 K HN 0.792 nan 8.250 nan 0.000 0.474 14 G N 1.041 109.828 108.800 -0.021 0.000 2.530 14 G HA2 0.389 4.280 3.960 -0.116 0.000 0.316 14 G HA3 0.389 4.280 3.960 -0.116 0.000 0.316 14 G C -1.007 173.875 174.900 -0.031 0.000 1.298 14 G CA -0.496 44.628 45.100 0.040 0.000 0.948 14 G HN 0.464 nan 8.290 nan 0.000 0.486 15 T N -0.159 114.383 114.554 -0.019 0.000 2.807 15 T HA 0.614 4.895 4.350 -0.116 0.000 0.279 15 T C -0.706 173.971 174.700 -0.039 0.000 0.993 15 T CA -0.546 61.535 62.100 -0.031 0.000 0.970 15 T CB 1.565 70.418 68.868 -0.025 0.000 0.950 15 T HN 0.358 nan 8.240 nan 0.000 0.441 16 V N 4.983 124.877 119.914 -0.033 0.000 2.459 16 V HA 0.592 4.642 4.120 -0.116 0.000 0.295 16 V C -0.294 175.780 176.094 -0.033 0.000 1.029 16 V CA -0.658 61.620 62.300 -0.037 0.000 0.874 16 V CB 1.875 33.694 31.823 -0.006 0.000 0.985 16 V HN 0.898 nan 8.190 nan 0.000 0.438 17 V N 6.453 126.336 119.914 -0.052 0.000 2.409 17 V HA 0.633 4.684 4.120 -0.116 0.000 0.291 17 V C -0.347 175.704 176.094 -0.071 0.000 1.020 17 V CA -0.548 61.708 62.300 -0.073 0.000 0.848 17 V CB 1.211 32.996 31.823 -0.064 0.000 0.990 17 V HN 0.770 nan 8.190 nan 0.000 0.430 18 L N 2.382 123.558 121.223 -0.078 0.000 2.277 18 L HA 0.874 5.144 4.340 -0.116 0.000 0.254 18 L C -0.636 176.211 176.870 -0.038 0.000 1.044 18 L CA -0.971 53.833 54.840 -0.060 0.000 0.842 18 L CB 2.094 44.086 42.059 -0.111 0.000 1.422 18 L HN 0.489 nan 8.230 nan 0.000 0.422 19 M N 0.995 120.627 119.600 0.053 0.000 2.197 19 M HA 0.553 4.963 4.480 -0.116 0.000 0.301 19 M C -0.656 175.736 176.300 0.153 0.000 0.987 19 M CA -0.500 54.850 55.300 0.084 0.000 0.921 19 M CB 2.029 34.709 32.600 0.134 0.000 1.569 19 M HN 0.609 nan 8.290 nan 0.000 0.431 20 R N 1.287 121.880 120.500 0.155 0.000 2.784 20 R HA 0.064 4.335 4.340 -0.116 0.000 0.266 20 R C 1.169 177.682 176.300 0.355 0.000 1.044 20 R CA -0.144 56.136 56.100 0.299 0.000 1.151 20 R CB 0.737 31.198 30.300 0.268 0.000 1.037 20 R HN 0.637 nan 8.270 nan 0.000 0.478 21 K N 1.634 122.297 120.400 0.439 0.000 2.097 21 K HA -0.164 4.087 4.320 -0.116 0.000 0.206 21 K C 0.843 177.634 176.600 0.319 0.000 1.049 21 K CA 1.300 57.871 56.287 0.473 0.000 0.933 21 K CB 0.020 32.731 32.500 0.352 0.000 0.717 21 K HN 0.473 nan 8.250 nan 0.000 0.442 22 N N 0.705 119.547 118.700 0.236 0.000 2.635 22 N HA -0.097 4.573 4.740 -0.116 0.000 0.191 22 N C 1.008 176.618 175.510 0.167 0.000 1.155 22 N CA 0.483 53.636 53.050 0.171 0.000 0.927 22 N CB 0.466 39.037 38.487 0.140 0.000 0.976 22 N HN 0.034 nan 8.380 nan 0.000 0.448 23 V N -0.179 119.855 119.914 0.199 0.000 3.604 23 V HA 0.192 4.242 4.120 -0.116 0.000 0.277 23 V C 1.382 177.604 176.094 0.213 0.000 1.399 23 V CA 0.376 62.779 62.300 0.172 0.000 1.034 23 V CB 0.565 32.472 31.823 0.139 0.000 0.824 23 V HN 0.128 nan 8.190 nan 0.000 0.439 24 L N -0.928 120.463 121.223 0.280 0.000 2.993 24 L HA 0.391 4.661 4.340 -0.116 0.000 0.264 24 L C 0.159 177.296 176.870 0.446 0.000 1.154 24 L CA 0.061 55.106 54.840 0.341 0.000 0.972 24 L CB 0.811 43.070 42.059 0.333 0.000 1.373 24 L HN 0.177 nan 8.230 nan 0.000 0.564 25 D N -0.146 120.434 120.400 0.300 0.000 2.264 25 D HA 0.086 4.657 4.640 -0.116 0.000 0.250 25 D C 0.996 177.257 176.300 -0.065 0.000 1.113 25 D CA 0.036 54.126 54.000 0.150 0.000 0.871 25 D CB 2.204 43.041 40.800 0.062 0.000 1.167 25 D HN -0.206 nan 8.370 nan 0.000 0.447 26 V N 4.440 124.090 119.914 -0.439 0.000 2.380 26 V HA -0.242 3.809 4.120 -0.116 0.000 0.251 26 V C 1.351 177.105 176.094 -0.566 0.000 1.063 26 V CA 1.816 63.457 62.300 -1.099 0.000 1.055 26 V CB -0.462 30.546 31.823 -1.359 0.000 0.657 26 V HN 0.592 nan 8.190 nan 0.000 0.455 27 N N 0.268 118.799 118.700 -0.282 0.000 2.512 27 N HA -0.058 4.612 4.740 -0.116 0.000 0.183 27 N C 1.714 177.160 175.510 -0.107 0.000 1.073 27 N CA 1.452 54.404 53.050 -0.164 0.000 0.911 27 N CB 0.056 38.506 38.487 -0.061 0.000 0.964 27 N HN 0.744 nan 8.380 nan 0.000 0.447 28 S N -1.290 114.360 115.700 -0.084 0.000 2.564 28 S HA 0.125 4.526 4.470 -0.116 0.000 0.231 28 S C 1.795 176.382 174.600 -0.022 0.000 1.067 28 S CA -0.219 57.966 58.200 -0.025 0.000 0.908 28 S CB -0.148 63.068 63.200 0.027 0.000 0.809 28 S HN -0.043 nan 8.310 nan 0.000 0.491 29 V N 2.689 122.585 119.914 -0.030 0.000 2.867 29 V HA -0.026 4.024 4.120 -0.116 0.000 0.260 29 V C 0.958 177.034 176.094 -0.030 0.000 1.099 29 V CA 1.302 63.623 62.300 0.035 0.000 1.122 29 V CB -1.157 30.795 31.823 0.215 0.000 0.708 29 V HN 0.492 nan 8.190 nan 0.000 0.490 30 T N 0.383 114.852 114.554 -0.141 0.000 2.754 30 T HA 0.236 4.516 4.350 -0.116 0.000 0.282 30 T C 0.676 175.339 174.700 -0.062 0.000 0.923 30 T CA 0.591 62.603 62.100 -0.146 0.000 1.164 30 T CB 0.675 69.394 68.868 -0.249 0.000 0.873 30 T HN 0.407 nan 8.240 nan 0.000 0.537 31 S N 2.455 118.137 115.700 -0.031 0.000 3.962 31 S HA 0.601 5.001 4.470 -0.116 0.000 0.175 31 S C -0.320 174.277 174.600 -0.005 0.000 1.091 31 S CA -0.298 57.896 58.200 -0.010 0.000 1.174 31 S CB 0.551 63.754 63.200 0.005 0.000 1.845 31 S HN 0.430 nan 8.310 nan 0.000 0.835 32 V N 0.630 120.552 119.914 0.013 0.000 3.141 32 V HA 0.831 4.882 4.120 -0.116 0.000 0.312 32 V C -0.065 176.054 176.094 0.040 0.000 1.157 32 V CA -0.596 61.718 62.300 0.025 0.000 1.041 32 V CB 1.443 33.281 31.823 0.025 0.000 1.071 32 V HN 0.723 nan 8.190 nan 0.000 0.441 33 G N -0.740 108.092 108.800 0.053 0.000 2.470 33 G HA2 0.596 4.486 3.960 -0.116 0.000 0.320 33 G HA3 0.596 4.486 3.960 -0.116 0.000 0.320 33 G C 0.266 175.189 174.900 0.039 0.000 1.245 33 G CA 0.208 45.342 45.100 0.058 0.000 0.935 33 G HN 1.145 nan 8.290 nan 0.000 0.476 34 G N 0.501 109.322 108.800 0.034 0.000 2.687 34 G HA2 0.255 4.145 3.960 -0.116 0.000 0.201 34 G HA3 0.255 4.145 3.960 -0.116 0.000 0.201 34 G C 0.310 175.222 174.900 0.020 0.000 1.211 34 G CA -0.111 45.004 45.100 0.024 0.000 0.637 34 G HN 0.583 nan 8.290 nan 0.000 0.900 35 I N 1.556 122.139 120.570 0.021 0.000 2.796 35 I HA 0.450 4.550 4.170 -0.116 0.000 0.279 35 I C -1.247 174.882 176.117 0.019 0.000 1.289 35 I CA -0.320 60.990 61.300 0.016 0.000 1.021 35 I CB 1.556 39.563 38.000 0.012 0.000 1.414 35 I HN -0.016 nan 8.210 nan 0.000 0.562 36 I N 2.608 123.191 120.570 0.023 0.000 2.676 36 I HA 0.738 4.839 4.170 -0.116 0.000 0.309 36 I C 1.131 177.260 176.117 0.021 0.000 0.990 36 I CA 0.409 61.724 61.300 0.026 0.000 1.168 36 I CB 1.838 39.860 38.000 0.036 0.000 1.343 36 I HN 0.643 nan 8.210 nan 0.000 0.482 37 G N 3.082 111.894 108.800 0.020 0.000 2.154 37 G HA2 -0.147 3.743 3.960 -0.116 0.000 0.186 37 G HA3 -0.147 3.743 3.960 -0.116 0.000 0.186 37 G C -0.164 174.742 174.900 0.010 0.000 1.000 37 G CA -0.019 45.090 45.100 0.015 0.000 0.664 37 G HN 0.565 nan 8.290 nan 0.000 0.513 38 Q N -2.442 117.365 119.800 0.012 0.000 2.965 38 Q HA 0.737 5.008 4.340 -0.116 0.000 0.379 38 Q C 0.906 176.912 176.000 0.011 0.000 0.727 38 Q CA 0.769 56.577 55.803 0.008 0.000 0.883 38 Q CB 1.054 29.797 28.738 0.007 0.000 1.233 38 Q HN 1.555 nan 8.270 nan 0.000 0.464 39 G N 0.008 108.814 108.800 0.009 0.000 2.731 39 G HA2 -0.173 3.718 3.960 -0.116 0.000 0.218 39 G HA3 -0.173 3.718 3.960 -0.116 0.000 0.218 39 G C -1.039 173.863 174.900 0.003 0.000 1.349 39 G CA -0.099 45.006 45.100 0.010 0.000 1.225 39 G HN 0.444 nan 8.290 nan 0.000 0.526 40 L N 1.953 123.176 121.223 -0.001 0.000 3.062 40 L HA 0.333 4.603 4.340 -0.116 0.000 0.255 40 L C -0.295 176.568 176.870 -0.011 0.000 1.274 40 L CA 0.415 55.251 54.840 -0.007 0.000 1.047 40 L CB -1.080 40.973 42.059 -0.010 0.000 1.402 40 L HN 0.609 nan 8.230 nan 0.000 0.550 41 D N 1.304 121.699 120.400 -0.007 0.000 3.323 41 D HA -0.236 4.335 4.640 -0.116 0.000 0.198 41 D C 0.298 176.587 176.300 -0.017 0.000 1.187 41 D CA 0.383 54.377 54.000 -0.009 0.000 0.932 41 D CB -0.275 40.518 40.800 -0.011 0.000 0.814 41 D HN -0.015 nan 8.370 nan 0.000 0.397 42 L N 2.175 123.390 121.223 -0.012 0.000 3.163 42 L HA -0.147 4.124 4.340 -0.116 0.000 0.327 42 L C 1.338 178.181 176.870 -0.046 0.000 1.030 42 L CA 0.702 55.530 54.840 -0.020 0.000 0.897 42 L CB -0.247 41.807 42.059 -0.008 0.000 1.389 42 L HN 0.411 nan 8.230 nan 0.000 0.530 43 V N 3.173 123.056 119.914 -0.052 0.000 3.490 43 V HA 0.409 4.460 4.120 -0.116 0.000 0.315 43 V C 1.787 177.811 176.094 -0.116 0.000 1.284 43 V CA 0.339 62.594 62.300 -0.075 0.000 1.233 43 V CB -0.809 30.980 31.823 -0.058 0.000 1.101 43 V HN 1.076 nan 8.190 nan 0.000 0.425 44 G N 0.990 109.712 108.800 -0.130 0.000 3.024 44 G HA2 -0.468 3.422 3.960 -0.116 0.000 0.339 44 G HA3 -0.468 3.422 3.960 -0.116 0.000 0.339 44 G C 1.171 176.001 174.900 -0.116 0.000 1.200 44 G CA 1.543 46.533 45.100 -0.184 0.000 0.968 44 G HN 0.769 nan 8.290 nan 0.000 0.593 45 S N -0.139 115.484 115.700 -0.129 0.000 2.337 45 S HA -0.330 4.071 4.470 -0.116 0.000 0.399 45 S C 1.417 176.000 174.600 -0.028 0.000 1.134 45 S CA 2.819 60.977 58.200 -0.070 0.000 2.090 45 S CB -1.351 61.807 63.200 -0.070 0.000 1.665 45 S HN 1.540 nan 8.310 nan 0.000 0.502 46 T N 3.370 117.908 114.554 -0.026 0.000 2.866 46 T HA 0.275 4.556 4.350 -0.116 0.000 0.293 46 T C -0.221 174.482 174.700 0.005 0.000 1.005 46 T CA 0.486 62.581 62.100 -0.009 0.000 1.162 46 T CB 0.002 68.864 68.868 -0.010 0.000 0.968 46 T HN 0.529 nan 8.240 nan 0.000 0.530 47 L N 4.232 125.464 121.223 0.015 0.000 2.492 47 L HA -0.108 4.162 4.340 -0.116 0.000 0.668 47 L C 0.307 177.201 176.870 0.039 0.000 1.022 47 L CA -0.126 54.732 54.840 0.029 0.000 1.371 47 L CB -0.747 41.333 42.059 0.036 0.000 2.041 47 L HN 0.758 nan 8.230 nan 0.000 0.953 48 D N 1.599 122.023 120.400 0.039 0.000 2.826 48 D HA 0.109 4.680 4.640 -0.116 0.000 0.247 48 D C 1.482 177.826 176.300 0.075 0.000 1.238 48 D CA 0.887 54.918 54.000 0.051 0.000 0.894 48 D CB 0.177 41.000 40.800 0.038 0.000 1.100 48 D HN 0.691 nan 8.370 nan 0.000 0.453 49 T N -1.596 113.016 114.554 0.095 0.000 2.985 49 T HA -0.079 4.201 4.350 -0.116 0.000 0.266 49 T C 1.938 176.760 174.700 0.203 0.000 1.076 49 T CA -0.082 62.095 62.100 0.128 0.000 1.135 49 T CB 0.263 69.216 68.868 0.141 0.000 0.890 49 T HN 0.141 nan 8.240 nan 0.000 0.480 50 L N 1.661 123.016 121.223 0.220 0.000 2.265 50 L HA -0.001 4.269 4.340 -0.116 0.000 0.215 50 L C 2.669 179.763 176.870 0.373 0.000 1.117 50 L CA 1.350 56.401 54.840 0.352 0.000 0.782 50 L CB -2.058 40.121 42.059 0.200 0.000 0.914 50 L HN 0.303 nan 8.230 nan 0.000 0.441 51 T N 0.051 114.733 114.554 0.214 0.000 2.897 51 T HA -0.160 4.121 4.350 -0.116 0.000 0.271 51 T C 1.849 176.612 174.700 0.105 0.000 1.084 51 T CA 1.222 63.407 62.100 0.141 0.000 1.123 51 T CB 0.078 68.997 68.868 0.085 0.000 0.865 51 T HN 0.460 nan 8.240 nan 0.000 0.496 52 A N -0.171 122.714 122.820 0.109 0.000 2.014 52 A HA 0.137 4.387 4.320 -0.116 0.000 0.218 52 A C 1.632 179.156 177.584 -0.101 0.000 1.163 52 A CA 0.759 52.791 52.037 -0.009 0.000 0.652 52 A CB -0.648 18.319 19.000 -0.055 0.000 0.808 52 A HN 0.539 nan 8.150 nan 0.000 0.449 53 F N -1.266 118.621 119.950 -0.105 0.000 2.802 53 F HA 0.122 4.580 4.527 -0.115 0.000 0.300 53 F C 1.090 176.711 175.800 -0.299 0.000 1.168 53 F CA 0.400 58.221 58.000 -0.298 0.000 1.433 53 F CB 0.265 38.852 39.000 -0.689 0.000 1.115 53 F HN 0.094 nan 8.300 nan 0.000 0.582 54 L N -0.695 120.528 121.223 -0.000 0.000 2.872 54 L HA 0.366 4.636 4.340 -0.116 0.000 0.245 54 L C 1.283 178.131 176.870 -0.038 0.000 1.211 54 L CA -0.120 54.717 54.840 -0.005 0.000 1.013 54 L CB -0.651 41.440 42.059 0.054 0.000 1.326 54 L HN 0.041 nan 8.230 nan 0.000 0.525 55 G N -0.752 108.001 108.800 -0.078 0.000 3.434 55 G HA2 0.147 4.038 3.960 -0.116 0.000 0.192 55 G HA3 0.147 4.038 3.960 -0.116 0.000 0.192 55 G C 0.399 175.111 174.900 -0.314 0.000 1.704 55 G CA -0.490 44.520 45.100 -0.150 0.000 0.936 55 G HN 0.136 nan 8.290 nan 0.000 0.623 56 R N 0.675 120.904 120.500 -0.452 0.000 3.863 56 R HA 0.357 4.628 4.340 -0.116 0.000 0.304 56 R C 0.920 177.011 176.300 -0.348 0.000 1.485 56 R CA -0.167 55.372 56.100 -0.936 0.000 1.355 56 R CB 0.434 30.248 30.300 -0.810 0.000 1.457 56 R HN 0.275 nan 8.270 nan 0.000 0.669 57 S N -0.701 114.996 115.700 -0.005 0.000 2.502 57 S HA 0.115 4.515 4.470 -0.116 0.000 0.228 57 S C 0.474 175.367 174.600 0.488 0.000 1.061 57 S CA 0.210 58.534 58.200 0.206 0.000 0.935 57 S CB 0.897 64.107 63.200 0.017 0.000 0.809 57 S HN 0.039 nan 8.310 nan 0.000 0.510 58 V N 2.769 122.986 119.914 0.506 0.000 2.525 58 V HA 0.559 4.609 4.120 -0.116 0.000 0.299 58 V C -0.445 175.861 176.094 0.353 0.000 1.034 58 V CA -0.867 61.675 62.300 0.404 0.000 0.863 58 V CB 1.644 33.596 31.823 0.215 0.000 0.999 58 V HN 0.378 nan 8.190 nan 0.000 0.423 59 S N 5.383 121.190 115.700 0.178 0.000 2.593 59 S HA 0.929 5.329 4.470 -0.116 0.000 0.297 59 S C -1.039 173.570 174.600 0.015 0.000 1.112 59 S CA -0.713 57.405 58.200 -0.137 0.000 1.043 59 S CB 1.933 64.857 63.200 -0.459 0.000 1.054 59 S HN 0.433 nan 8.310 nan 0.000 0.516 60 L N 1.430 122.669 121.223 0.026 0.000 2.408 60 L HA 0.558 4.828 4.340 -0.116 0.000 0.268 60 L C -0.383 176.602 176.870 0.191 0.000 0.986 60 L CA -0.135 54.806 54.840 0.167 0.000 0.820 60 L CB 2.221 44.383 42.059 0.172 0.000 1.303 60 L HN 0.783 nan 8.230 nan 0.000 0.411 61 Q N 3.028 122.928 119.800 0.167 0.000 2.337 61 Q HA 0.397 4.667 4.340 -0.116 0.000 0.264 61 Q C -1.225 174.792 176.000 0.028 0.000 1.007 61 Q CA -0.923 54.959 55.803 0.130 0.000 0.727 61 Q CB 2.093 30.948 28.738 0.195 0.000 1.256 61 Q HN 0.387 nan 8.270 nan 0.000 0.467 62 L N 3.243 124.374 121.223 -0.153 0.000 2.482 62 L HA 0.299 4.569 4.340 -0.116 0.000 0.273 62 L C 0.012 176.881 176.870 -0.003 0.000 1.228 62 L CA 0.734 55.423 54.840 -0.251 0.000 0.827 62 L CB 0.424 42.114 42.059 -0.616 0.000 1.099 62 L HN 0.589 nan 8.230 nan 0.000 0.494 63 I N 0.983 121.518 120.570 -0.058 0.000 2.478 63 I HA 0.158 4.258 4.170 -0.116 0.000 0.287 63 I C 0.071 176.228 176.117 0.067 0.000 1.042 63 I CA -0.278 60.994 61.300 -0.046 0.000 1.067 63 I CB 1.973 39.742 38.000 -0.385 0.000 1.233 63 I HN 0.472 nan 8.210 nan 0.000 0.431 64 S N 3.375 119.186 115.700 0.184 0.000 2.564 64 S HA 0.414 4.815 4.470 -0.116 0.000 0.278 64 S C 0.991 175.656 174.600 0.109 0.000 1.333 64 S CA 0.063 58.388 58.200 0.208 0.000 1.048 64 S CB 1.237 64.548 63.200 0.186 0.000 0.900 64 S HN 0.734 nan 8.310 nan 0.000 0.505 65 A N 2.811 125.688 122.820 0.095 0.000 2.169 65 A HA 0.144 4.394 4.320 -0.116 0.000 0.210 65 A C 1.735 179.350 177.584 0.052 0.000 1.168 65 A CA 0.906 52.978 52.037 0.059 0.000 0.813 65 A CB -0.244 18.782 19.000 0.044 0.000 0.861 65 A HN 0.869 nan 8.150 nan 0.000 0.481 66 T N -4.189 110.408 114.554 0.071 0.000 3.040 66 T HA 0.410 4.691 4.350 -0.116 0.000 0.266 66 T C 0.092 174.819 174.700 0.045 0.000 1.005 66 T CA -0.085 62.049 62.100 0.056 0.000 0.906 66 T CB 0.103 69.011 68.868 0.067 0.000 1.082 66 T HN 0.066 nan 8.240 nan 0.000 0.531 67 K N 1.164 121.593 120.400 0.048 0.000 2.601 67 K HA 0.771 5.022 4.320 -0.116 0.000 0.249 67 K C -1.103 175.515 176.600 0.029 0.000 0.966 67 K CA -0.216 56.085 56.287 0.023 0.000 0.827 67 K CB 2.135 34.630 32.500 -0.008 0.000 1.178 67 K HN 0.307 nan 8.250 nan 0.000 0.437 68 A N 2.467 125.301 122.820 0.023 0.000 2.311 68 A HA 0.592 4.842 4.320 -0.116 0.000 0.334 68 A C -0.589 177.005 177.584 0.017 0.000 1.139 68 A CA -0.673 51.383 52.037 0.031 0.000 0.830 68 A CB 0.471 19.487 19.000 0.026 0.000 1.234 68 A HN 0.827 nan 8.150 nan 0.000 0.483 69 D N 0.272 120.687 120.400 0.025 0.000 2.398 69 D HA 0.437 5.008 4.640 -0.116 0.000 0.264 69 D C 1.107 177.408 176.300 0.003 0.000 1.263 69 D CA 0.150 54.158 54.000 0.013 0.000 1.037 69 D CB 0.371 41.184 40.800 0.023 0.000 1.101 69 D HN 0.444 nan 8.370 nan 0.000 0.551 70 A N -0.754 122.066 122.820 -0.001 0.000 2.014 70 A HA -0.133 4.118 4.320 -0.116 0.000 0.218 70 A C 1.595 179.172 177.584 -0.011 0.000 1.163 70 A CA 0.764 52.797 52.037 -0.006 0.000 0.652 70 A CB -0.729 18.268 19.000 -0.006 0.000 0.808 70 A HN 0.576 nan 8.150 nan 0.000 0.449 71 N N -0.682 118.009 118.700 -0.015 0.000 2.370 71 N HA 0.130 4.801 4.740 -0.116 0.000 0.198 71 N C 1.082 176.570 175.510 -0.037 0.000 1.156 71 N CA 0.758 53.791 53.050 -0.027 0.000 0.839 71 N CB 0.382 38.849 38.487 -0.034 0.000 0.989 71 N HN 0.604 nan 8.380 nan 0.000 0.468 72 G N 1.248 110.033 108.800 -0.025 0.000 2.205 72 G HA2 -0.300 3.591 3.960 -0.116 0.000 0.261 72 G HA3 -0.300 3.591 3.960 -0.116 0.000 0.261 72 G C 0.166 175.051 174.900 -0.026 0.000 0.980 72 G CA 0.154 45.240 45.100 -0.023 0.000 0.632 72 G HN 0.298 nan 8.290 nan 0.000 0.533 73 K N 0.870 121.243 120.400 -0.046 0.000 2.185 73 K HA 0.503 4.754 4.320 -0.116 0.000 0.271 73 K C 1.233 177.910 176.600 0.129 0.000 1.013 73 K CA 0.000 56.251 56.287 -0.060 0.000 0.943 73 K CB 0.784 33.147 32.500 -0.230 0.000 0.998 73 K HN 0.325 nan 8.250 nan 0.000 0.468 74 G N 2.199 111.203 108.800 0.340 0.000 2.474 74 G HA2 -0.070 3.821 3.960 -0.116 0.000 0.233 74 G HA3 -0.070 3.821 3.960 -0.116 0.000 0.233 74 G C -0.230 174.795 174.900 0.208 0.000 1.278 74 G CA -0.235 45.025 45.100 0.266 0.000 0.861 74 G HN 0.272 nan 8.290 nan 0.000 0.567 75 K N 0.826 121.294 120.400 0.113 0.000 2.298 75 K HA 0.224 4.474 4.320 -0.116 0.000 0.280 75 K C 0.503 177.155 176.600 0.087 0.000 1.032 75 K CA -0.230 56.100 56.287 0.072 0.000 0.958 75 K CB 0.905 33.400 32.500 -0.008 0.000 0.978 75 K HN 0.356 nan 8.250 nan 0.000 0.472 76 L N 2.382 123.663 121.223 0.097 0.000 2.331 76 L HA 0.341 4.611 4.340 -0.116 0.000 0.278 76 L C 1.304 178.236 176.870 0.104 0.000 1.106 76 L CA -0.578 54.337 54.840 0.126 0.000 0.824 76 L CB 0.971 43.120 42.059 0.150 0.000 1.142 76 L HN 0.595 nan 8.230 nan 0.000 0.443 77 G N 1.757 110.691 108.800 0.224 0.000 2.588 77 G HA2 0.356 4.247 3.960 -0.116 0.000 0.281 77 G HA3 0.356 4.247 3.960 -0.116 0.000 0.281 77 G C -0.363 174.659 174.900 0.203 0.000 1.236 77 G CA -0.613 44.659 45.100 0.286 0.000 0.969 77 G HN 0.362 nan 8.290 nan 0.000 0.504 78 K N -0.363 120.159 120.400 0.205 0.000 2.202 78 K HA 0.543 4.794 4.320 -0.116 0.000 0.264 78 K C 0.542 177.229 176.600 0.145 0.000 1.010 78 K CA -0.372 56.003 56.287 0.145 0.000 0.940 78 K CB 1.148 33.722 32.500 0.123 0.000 0.983 78 K HN 0.559 nan 8.250 nan 0.000 0.475 79 A N 1.937 124.803 122.820 0.078 0.000 2.409 79 A HA 0.465 4.716 4.320 -0.116 0.000 0.267 79 A C -0.431 177.104 177.584 -0.082 0.000 1.127 79 A CA 0.147 52.182 52.037 -0.003 0.000 0.795 79 A CB -0.125 18.852 19.000 -0.039 0.000 1.061 79 A HN 0.571 nan 8.150 nan 0.000 0.502 80 T N 1.994 116.453 114.554 -0.158 0.000 2.933 80 T HA 0.591 4.871 4.350 -0.116 0.000 0.305 80 T C -0.843 173.679 174.700 -0.298 0.000 1.092 80 T CA -0.173 61.837 62.100 -0.150 0.000 1.008 80 T CB 0.860 69.705 68.868 -0.038 0.000 1.102 80 T HN 0.375 nan 8.240 nan 0.000 0.469 81 F N 0.884 120.826 119.950 -0.012 0.000 2.483 81 F HA 0.572 5.029 4.527 -0.116 0.000 0.329 81 F C 0.436 176.188 175.800 -0.080 0.000 1.064 81 F CA -1.430 56.565 58.000 -0.008 0.000 0.986 81 F CB 0.916 39.920 39.000 0.008 0.000 1.218 81 F HN 0.268 nan 8.300 nan 0.000 0.484 82 L N 1.820 123.125 121.223 0.137 0.000 2.559 82 L HA -0.008 4.262 4.340 -0.116 0.000 0.274 82 L C 0.920 177.812 176.870 0.037 0.000 1.205 82 L CA 0.522 55.370 54.840 0.014 0.000 0.907 82 L CB 0.243 42.235 42.059 -0.112 0.000 1.153 82 L HN 0.802 nan 8.230 nan 0.000 0.490 83 E N 1.586 121.797 120.200 0.019 0.000 2.201 83 E HA 0.180 4.460 4.350 -0.116 0.000 0.193 83 E C 0.640 177.265 176.600 0.042 0.000 0.957 83 E CA 0.330 56.739 56.400 0.015 0.000 0.858 83 E CB 0.702 30.387 29.700 -0.024 0.000 0.816 83 E HN 0.832 nan 8.360 nan 0.000 0.475 84 G N 0.026 108.876 108.800 0.084 0.000 2.601 84 G HA2 0.427 4.318 3.960 -0.116 0.000 0.291 84 G HA3 0.427 4.318 3.960 -0.116 0.000 0.291 84 G C -1.365 173.624 174.900 0.150 0.000 1.456 84 G CA -0.922 44.235 45.100 0.094 0.000 0.804 84 G HN -0.023 nan 8.290 nan 0.000 0.499 85 I N 0.664 121.288 120.570 0.091 0.000 2.474 85 I HA 0.297 4.397 4.170 -0.116 0.000 0.287 85 I C 0.107 176.140 176.117 -0.139 0.000 1.048 85 I CA -0.203 61.064 61.300 -0.054 0.000 1.383 85 I CB 1.160 39.134 38.000 -0.044 0.000 1.412 85 I HN 0.182 nan 8.210 nan 0.000 0.531 86 I N 5.362 125.767 120.570 -0.275 0.000 2.330 86 I HA 0.085 4.185 4.170 -0.116 0.000 0.289 86 I C 1.336 177.327 176.117 -0.211 0.000 1.001 86 I CA -0.111 61.069 61.300 -0.199 0.000 1.193 86 I CB 1.737 39.625 38.000 -0.187 0.000 1.345 86 I HN 0.690 nan 8.210 nan 0.000 0.461 87 T N 2.792 117.264 114.554 -0.137 0.000 2.812 87 T HA -0.038 4.243 4.350 -0.116 0.000 0.264 87 T C 0.725 175.365 174.700 -0.100 0.000 1.042 87 T CA 0.960 62.992 62.100 -0.113 0.000 1.140 87 T CB 0.207 69.030 68.868 -0.074 0.000 0.870 87 T HN 0.510 nan 8.240 nan 0.000 0.445 88 S N -0.637 115.011 115.700 -0.085 0.000 2.536 88 S HA 0.695 5.096 4.470 -0.116 0.000 0.271 88 S C -1.802 172.763 174.600 -0.058 0.000 1.134 88 S CA -0.906 57.255 58.200 -0.066 0.000 0.897 88 S CB 1.155 64.326 63.200 -0.048 0.000 1.094 88 S HN 0.395 nan 8.310 nan 0.000 0.473 89 L N 4.599 125.791 121.223 -0.050 0.000 2.505 89 L HA 0.426 4.696 4.340 -0.116 0.000 0.259 89 L C -1.861 174.993 176.870 -0.027 0.000 0.952 89 L CA -1.929 52.888 54.840 -0.038 0.000 0.840 89 L CB 2.603 44.634 42.059 -0.046 0.000 1.358 89 L HN 0.455 nan 8.230 nan 0.000 0.409 90 P HA -0.140 nan 4.420 nan 0.000 0.216 90 P C 1.045 178.337 177.300 -0.012 0.000 1.150 90 P CA 1.331 64.424 63.100 -0.012 0.000 0.843 90 P CB 0.052 31.749 31.700 -0.005 0.000 0.787 91 T N -4.509 110.037 114.554 -0.014 0.000 3.105 91 T HA 0.219 4.500 4.350 -0.116 0.000 0.253 91 T C 0.474 175.164 174.700 -0.017 0.000 1.047 91 T CA -0.448 61.644 62.100 -0.013 0.000 0.944 91 T CB -0.637 68.221 68.868 -0.016 0.000 1.016 91 T HN -0.141 nan 8.240 nan 0.000 0.544 92 L N 3.107 124.314 121.223 -0.026 0.000 2.462 92 L HA 0.569 4.840 4.340 -0.116 0.000 0.272 92 L C 0.716 177.571 176.870 -0.024 0.000 1.166 92 L CA 0.116 54.934 54.840 -0.036 0.000 0.880 92 L CB 0.007 42.032 42.059 -0.056 0.000 1.142 92 L HN 0.325 nan 8.230 nan 0.000 0.473 93 G N 3.529 112.319 108.800 -0.017 0.000 2.531 93 G HA2 0.634 4.524 3.960 -0.116 0.000 0.313 93 G HA3 0.634 4.524 3.960 -0.116 0.000 0.313 93 G C -0.857 174.039 174.900 -0.005 0.000 1.238 93 G CA -0.394 44.703 45.100 -0.004 0.000 0.994 93 G HN 1.010 nan 8.290 nan 0.000 0.493 94 A N -1.328 121.496 122.820 0.006 0.000 2.440 94 A HA 0.535 4.785 4.320 -0.116 0.000 0.251 94 A C 1.515 179.109 177.584 0.016 0.000 1.089 94 A CA 0.987 53.030 52.037 0.009 0.000 0.779 94 A CB -0.244 18.766 19.000 0.017 0.000 1.022 94 A HN 2.540 nan 8.150 nan 0.000 0.492 95 G N 1.107 109.915 108.800 0.014 0.000 2.155 95 G HA2 -0.228 3.663 3.960 -0.116 0.000 0.257 95 G HA3 -0.228 3.663 3.960 -0.116 0.000 0.257 95 G C 0.103 175.009 174.900 0.010 0.000 0.983 95 G CA 0.756 45.871 45.100 0.025 0.000 0.676 95 G HN 0.958 nan 8.290 nan 0.000 0.528 96 Q N 0.103 119.892 119.800 -0.019 0.000 2.274 96 Q HA 0.659 4.929 4.340 -0.116 0.000 0.260 96 Q C -0.366 175.563 176.000 -0.118 0.000 0.974 96 Q CA -0.323 55.451 55.803 -0.049 0.000 0.876 96 Q CB 1.887 30.601 28.738 -0.040 0.000 1.297 96 Q HN 0.309 nan 8.270 nan 0.000 0.446 97 S N 0.417 116.006 115.700 -0.185 0.000 2.600 97 S HA 0.876 5.277 4.470 -0.116 0.000 0.300 97 S C -1.043 173.283 174.600 -0.457 0.000 1.087 97 S CA -0.911 57.080 58.200 -0.349 0.000 0.965 97 S CB 1.876 64.838 63.200 -0.397 0.000 1.089 97 S HN 0.705 nan 8.310 nan 0.000 0.496 98 A N 1.211 123.603 122.820 -0.713 0.000 2.435 98 A HA 0.898 5.149 4.320 -0.116 0.000 0.304 98 A C -1.683 175.312 177.584 -0.981 0.000 1.064 98 A CA -0.640 51.037 52.037 -0.601 0.000 0.727 98 A CB 0.779 19.590 19.000 -0.316 0.000 1.284 98 A HN 0.600 nan 8.150 nan 0.000 0.415 99 F N 1.104 120.963 119.950 -0.152 0.000 2.581 99 F HA 0.449 4.906 4.527 -0.117 0.000 0.311 99 F C 0.297 176.026 175.800 -0.120 0.000 1.113 99 F CA -0.677 57.242 58.000 -0.135 0.000 0.935 99 F CB 2.310 41.217 39.000 -0.155 0.000 1.232 99 F HN 0.619 nan 8.300 nan 0.000 0.445 100 K N 3.373 123.811 120.400 0.063 0.000 2.130 100 K HA 0.818 5.068 4.320 -0.116 0.000 0.268 100 K C -1.271 175.290 176.600 -0.064 0.000 0.983 100 K CA -0.549 55.725 56.287 -0.021 0.000 0.893 100 K CB 2.807 35.285 32.500 -0.036 0.000 1.066 100 K HN 0.841 nan 8.250 nan 0.000 0.450 101 I N 1.936 122.403 120.570 -0.173 0.000 2.649 101 I HA 0.225 4.325 4.170 -0.116 0.000 0.289 101 I C -1.820 173.972 176.117 -0.542 0.000 1.222 101 I CA -0.741 60.344 61.300 -0.358 0.000 1.046 101 I CB 2.085 39.830 38.000 -0.425 0.000 1.272 101 I HN 0.672 nan 8.210 nan 0.000 0.425 102 N N 7.285 125.688 118.700 -0.495 0.000 2.392 102 N HA 0.447 5.117 4.740 -0.116 0.000 0.283 102 N C -1.431 173.800 175.510 -0.464 0.000 1.003 102 N CA -0.200 52.613 53.050 -0.395 0.000 0.892 102 N CB 1.572 39.950 38.487 -0.182 0.000 1.193 102 N HN 0.291 nan 8.380 nan 0.000 0.487 103 F N 0.551 120.448 119.950 -0.089 0.000 2.399 103 F HA 0.250 4.707 4.527 -0.117 0.000 0.334 103 F C 1.299 177.122 175.800 0.039 0.000 1.097 103 F CA -0.714 57.260 58.000 -0.043 0.000 1.076 103 F CB 1.071 39.999 39.000 -0.120 0.000 1.162 103 F HN 0.142 nan 8.300 nan 0.000 0.495 104 E N 3.125 123.501 120.200 0.293 0.000 2.290 104 E HA 0.065 4.346 4.350 -0.116 0.000 0.277 104 E C -0.811 176.052 176.600 0.438 0.000 1.035 104 E CA 0.048 56.605 56.400 0.261 0.000 0.873 104 E CB 1.292 31.093 29.700 0.169 0.000 1.029 104 E HN 0.583 nan 8.360 nan 0.000 0.419 105 W N 2.137 123.464 121.300 0.045 0.000 3.066 105 W HA 0.128 4.719 4.660 -0.114 0.000 0.330 105 W C -1.462 175.084 176.519 0.045 0.000 1.253 105 W CA -0.442 56.924 57.345 0.034 0.000 1.187 105 W CB 2.198 31.670 29.460 0.019 0.000 1.434 105 W HN 0.647 nan 8.180 nan 0.000 0.572 106 D N -0.262 120.088 120.400 -0.084 0.000 2.921 106 D HA 0.215 4.785 4.640 -0.116 0.000 0.329 106 D C -1.615 174.666 176.300 -0.033 0.000 1.293 106 D CA -0.553 53.441 54.000 -0.010 0.000 0.964 106 D CB 0.764 41.529 40.800 -0.059 0.000 1.435 106 D HN -0.144 nan 8.370 nan 0.000 0.548 107 D N -0.942 119.457 120.400 -0.001 0.000 2.422 107 D HA 0.513 5.084 4.640 -0.116 0.000 0.227 107 D C 0.761 177.027 176.300 -0.056 0.000 1.190 107 D CA 0.575 54.574 54.000 -0.001 0.000 0.905 107 D CB 0.754 41.570 40.800 0.027 0.000 1.034 107 D HN 0.725 nan 8.370 nan 0.000 0.507 108 G N 0.849 109.589 108.800 -0.099 0.000 3.211 108 G HA2 -0.210 3.680 3.960 -0.116 0.000 0.202 108 G HA3 -0.210 3.680 3.960 -0.116 0.000 0.202 108 G C 1.345 176.110 174.900 -0.224 0.000 1.035 108 G CA -0.147 44.877 45.100 -0.128 0.000 0.846 108 G HN 0.367 nan 8.290 nan 0.000 0.464 109 S N 0.541 115.986 115.700 -0.425 0.000 2.461 109 S HA 0.440 4.840 4.470 -0.116 0.000 0.228 109 S C 1.515 175.866 174.600 -0.416 0.000 1.005 109 S CA 1.757 59.488 58.200 -0.782 0.000 0.942 109 S CB -0.201 61.862 63.200 -1.894 0.000 0.776 109 S HN 2.138 nan 8.310 nan 0.000 0.514 110 G N 1.113 109.857 108.800 -0.093 0.000 2.782 110 G HA2 -0.229 3.662 3.960 -0.116 0.000 0.228 110 G HA3 -0.229 3.662 3.960 -0.116 0.000 0.228 110 G C -0.474 174.675 174.900 0.415 0.000 1.372 110 G CA -0.598 44.593 45.100 0.151 0.000 0.862 110 G HN 0.354 nan 8.290 nan 0.000 0.547 111 I N 2.354 123.063 120.570 0.232 0.000 2.496 111 I HA 0.296 4.396 4.170 -0.116 0.000 0.285 111 I C -1.633 174.550 176.117 0.109 0.000 1.080 111 I CA -1.651 59.715 61.300 0.110 0.000 1.404 111 I CB 1.183 39.148 38.000 -0.058 0.000 1.403 111 I HN 0.280 nan 8.210 nan 0.000 0.539 112 P HA 0.209 nan 4.420 nan 0.000 0.274 112 P C 0.411 177.714 177.300 0.005 0.000 1.237 112 P CA -0.227 62.843 63.100 -0.051 0.000 0.793 112 P CB 0.904 32.410 31.700 -0.324 0.000 0.977 113 G N -0.756 108.093 108.800 0.082 0.000 4.541 113 G HA2 0.539 4.429 3.960 -0.116 0.000 0.246 113 G HA3 0.539 4.429 3.960 -0.116 0.000 0.246 113 G C -0.336 174.679 174.900 0.193 0.000 1.034 113 G CA 0.547 45.703 45.100 0.093 0.000 0.818 113 G HN 0.788 nan 8.290 nan 0.000 0.359 114 A N -0.159 122.793 122.820 0.219 0.000 2.567 114 A HA 0.837 5.087 4.320 -0.116 0.000 0.291 114 A C -1.673 175.836 177.584 -0.124 0.000 1.048 114 A CA -0.618 51.412 52.037 -0.012 0.000 0.661 114 A CB 0.862 19.494 19.000 -0.613 0.000 1.288 114 A HN 1.496 nan 8.150 nan 0.000 0.424 115 F N -1.561 118.113 119.950 -0.460 0.000 2.693 115 F HA 0.824 5.280 4.527 -0.118 0.000 0.309 115 F C -2.091 173.467 175.800 -0.403 0.000 1.129 115 F CA -1.116 56.608 58.000 -0.459 0.000 0.948 115 F CB 0.822 39.535 39.000 -0.477 0.000 1.315 115 F HN 0.524 nan 8.300 nan 0.000 0.447 116 Y N 3.149 123.385 120.300 -0.106 0.000 2.387 116 Y HA 0.709 5.189 4.550 -0.116 0.000 0.336 116 Y C -0.342 175.632 175.900 0.123 0.000 1.067 116 Y CA -1.411 56.607 58.100 -0.136 0.000 1.114 116 Y CB 1.962 40.357 38.460 -0.109 0.000 1.208 116 Y HN 0.819 nan 8.280 nan 0.000 0.458 117 I N 3.324 124.053 120.570 0.266 0.000 2.533 117 I HA 0.451 4.551 4.170 -0.116 0.000 0.290 117 I C -1.531 174.624 176.117 0.064 0.000 1.056 117 I CA -0.762 60.695 61.300 0.263 0.000 1.057 117 I CB 1.262 39.529 38.000 0.446 0.000 1.240 117 I HN 0.535 nan 8.210 nan 0.000 0.423 118 K N 5.230 125.600 120.400 -0.050 0.000 2.244 118 K HA 0.339 4.590 4.320 -0.116 0.000 0.260 118 K C -0.939 175.433 176.600 -0.381 0.000 0.951 118 K CA -0.812 55.273 56.287 -0.338 0.000 0.826 118 K CB 1.486 33.616 32.500 -0.617 0.000 1.108 118 K HN 0.447 nan 8.250 nan 0.000 0.433 119 N N 2.739 121.251 118.700 -0.313 0.000 2.444 119 N HA 0.219 4.890 4.740 -0.116 0.000 0.262 119 N C -0.786 174.621 175.510 -0.172 0.000 0.974 119 N CA -0.454 52.554 53.050 -0.070 0.000 0.933 119 N CB 0.423 38.931 38.487 0.034 0.000 1.137 119 N HN 0.407 nan 8.380 nan 0.000 0.498 120 F N 1.363 121.408 119.950 0.158 0.000 2.678 120 F HA 0.382 4.840 4.527 -0.115 0.000 0.305 120 F C 0.911 176.740 175.800 0.048 0.000 1.090 120 F CA -0.261 57.799 58.000 0.100 0.000 1.272 120 F CB 0.036 39.103 39.000 0.112 0.000 1.060 120 F HN 0.267 nan 8.300 nan 0.000 0.576 121 M N 0.072 119.777 119.600 0.175 0.000 2.198 121 M HA 0.042 4.452 4.480 -0.116 0.000 0.315 121 M C 1.642 177.975 176.300 0.055 0.000 1.134 121 M CA 0.020 55.355 55.300 0.058 0.000 1.171 121 M CB 0.648 33.219 32.600 -0.047 0.000 1.413 121 M HN -0.055 nan 8.290 nan 0.000 0.467 122 Q N 0.503 120.316 119.800 0.022 0.000 2.124 122 Q HA -0.014 4.256 4.340 -0.116 0.000 0.202 122 Q C -0.098 175.919 176.000 0.028 0.000 0.977 122 Q CA 1.234 57.050 55.803 0.023 0.000 0.850 122 Q CB 0.106 28.852 28.738 0.013 0.000 0.901 122 Q HN 0.694 nan 8.270 nan 0.000 0.429 123 T N 1.776 116.347 114.554 0.028 0.000 2.875 123 T HA 0.185 4.466 4.350 -0.116 0.000 0.284 123 T C -0.361 174.385 174.700 0.077 0.000 0.995 123 T CA -0.805 61.323 62.100 0.047 0.000 1.060 123 T CB 1.070 69.982 68.868 0.073 0.000 0.967 123 T HN 0.196 nan 8.240 nan 0.000 0.476 124 E N 3.099 123.275 120.200 -0.041 0.000 2.390 124 E HA 0.304 4.585 4.350 -0.116 0.000 0.261 124 E C -0.773 176.009 176.600 0.304 0.000 1.076 124 E CA -0.443 55.880 56.400 -0.128 0.000 0.905 124 E CB 0.545 29.697 29.700 -0.914 0.000 0.984 124 E HN 0.576 nan 8.360 nan 0.000 0.427 125 F N -0.495 119.658 119.950 0.339 0.000 2.629 125 F HA 0.628 5.084 4.527 -0.119 0.000 0.316 125 F C -1.404 174.424 175.800 0.047 0.000 1.081 125 F CA -1.951 56.245 58.000 0.327 0.000 0.954 125 F CB 1.035 40.233 39.000 0.329 0.000 1.337 125 F HN 0.276 nan 8.300 nan 0.000 0.474 126 F N 3.853 123.612 119.950 -0.317 0.000 2.350 126 F HA 0.547 5.007 4.527 -0.111 0.000 0.365 126 F C -0.765 174.933 175.800 -0.170 0.000 1.122 126 F CA -1.266 56.256 58.000 -0.796 0.000 1.139 126 F CB 0.876 39.072 39.000 -1.340 0.000 1.220 126 F HN 0.561 nan 8.300 nan 0.000 0.499 127 L N 7.396 128.248 121.223 -0.619 0.000 2.360 127 L HA 0.239 4.510 4.340 -0.116 0.000 0.276 127 L C 0.217 176.637 176.870 -0.749 0.000 1.121 127 L CA 0.428 55.031 54.840 -0.395 0.000 0.845 127 L CB 1.061 42.902 42.059 -0.362 0.000 1.143 127 L HN 0.637 nan 8.230 nan 0.000 0.452 128 V N 2.840 122.509 119.914 -0.409 0.000 2.436 128 V HA 0.253 4.303 4.120 -0.116 0.000 0.240 128 V C 0.672 176.646 176.094 -0.199 0.000 1.040 128 V CA 1.150 63.260 62.300 -0.317 0.000 1.052 128 V CB 0.279 32.033 31.823 -0.115 0.000 0.707 128 V HN 0.938 nan 8.190 nan 0.000 0.469 129 S N -0.871 114.754 115.700 -0.124 0.000 2.567 129 S HA 0.609 5.010 4.470 -0.116 0.000 0.270 129 S C -1.651 172.923 174.600 -0.044 0.000 1.152 129 S CA -0.612 57.567 58.200 -0.035 0.000 0.835 129 S CB 2.030 65.245 63.200 0.025 0.000 1.115 129 S HN 0.163 nan 8.310 nan 0.000 0.459 130 L N 1.509 122.727 121.223 -0.008 0.000 2.346 130 L HA 0.845 5.115 4.340 -0.116 0.000 0.276 130 L C -0.757 176.189 176.870 0.126 0.000 1.006 130 L CA 0.256 55.008 54.840 -0.146 0.000 0.817 130 L CB 1.916 43.540 42.059 -0.725 0.000 1.272 130 L HN 0.960 nan 8.230 nan 0.000 0.421 131 T N 6.102 120.700 114.554 0.073 0.000 2.812 131 T HA 0.578 4.858 4.350 -0.116 0.000 0.282 131 T C -0.553 174.174 174.700 0.044 0.000 0.990 131 T CA -0.303 61.884 62.100 0.145 0.000 0.960 131 T CB 0.941 69.906 68.868 0.163 0.000 0.948 131 T HN 0.432 nan 8.240 nan 0.000 0.438 132 L N 3.396 124.640 121.223 0.035 0.000 2.298 132 L HA 0.483 4.754 4.340 -0.116 0.000 0.284 132 L C 0.190 177.027 176.870 -0.055 0.000 1.013 132 L CA -0.722 54.101 54.840 -0.030 0.000 0.824 132 L CB 1.378 43.397 42.059 -0.066 0.000 1.221 132 L HN 0.572 nan 8.230 nan 0.000 0.418 133 E N 1.971 122.150 120.200 -0.035 0.000 2.197 133 E HA 0.298 4.578 4.350 -0.116 0.000 0.281 133 E C -1.044 175.550 176.600 -0.010 0.000 0.995 133 E CA -0.459 55.931 56.400 -0.016 0.000 0.808 133 E CB 2.187 31.889 29.700 0.003 0.000 1.093 133 E HN 0.454 nan 8.360 nan 0.000 0.394 134 D N 1.407 121.825 120.400 0.030 0.000 2.570 134 D HA 0.398 4.968 4.640 -0.116 0.000 0.266 134 D C 0.764 177.171 176.300 0.177 0.000 1.182 134 D CA -0.446 53.580 54.000 0.044 0.000 1.088 134 D CB 0.930 41.759 40.800 0.049 0.000 1.186 134 D HN 0.299 nan 8.370 nan 0.000 0.618 135 I N -0.793 119.899 120.570 0.203 0.000 3.523 135 I HA 0.201 4.302 4.170 -0.116 0.000 0.244 135 I C -1.280 174.945 176.117 0.180 0.000 1.110 135 I CA -0.301 61.191 61.300 0.320 0.000 1.517 135 I CB -0.906 37.290 38.000 0.327 0.000 1.505 135 I HN 0.339 nan 8.210 nan 0.000 0.460 136 P HA 0.140 nan 4.420 nan 0.000 0.346 136 P C -0.225 177.138 177.300 0.104 0.000 1.303 136 P CA -0.201 62.970 63.100 0.119 0.000 0.801 136 P CB 0.359 32.139 31.700 0.133 0.000 1.827 137 N N 0.072 118.825 118.700 0.089 0.000 2.623 137 N HA -0.010 4.660 4.740 -0.116 0.000 0.263 137 N C -0.437 175.107 175.510 0.057 0.000 1.218 137 N CA 0.125 53.209 53.050 0.058 0.000 0.949 137 N CB -0.514 37.990 38.487 0.028 0.000 1.270 137 N HN 0.324 nan 8.380 nan 0.000 0.507 138 H N -0.603 118.480 119.070 0.022 0.000 2.481 138 H HA 0.345 4.831 4.556 -0.117 0.000 0.333 138 H C 0.336 175.661 175.328 -0.004 0.000 1.066 138 H CA -0.302 55.751 56.048 0.009 0.000 1.209 138 H CB 1.477 31.247 29.762 0.015 0.000 1.445 138 H HN 0.229 nan 8.280 nan 0.000 0.488 139 G N 2.260 111.078 108.800 0.029 0.000 2.525 139 G HA2 0.066 3.957 3.960 -0.116 0.000 0.276 139 G HA3 0.066 3.957 3.960 -0.116 0.000 0.276 139 G C -0.411 174.558 174.900 0.115 0.000 1.388 139 G CA -0.549 44.584 45.100 0.055 0.000 1.050 139 G HN 0.604 nan 8.290 nan 0.000 0.520 140 S N -0.310 115.383 115.700 -0.011 0.000 2.549 140 S HA 0.222 4.623 4.470 -0.116 0.000 0.286 140 S C 0.221 174.671 174.600 -0.251 0.000 1.314 140 S CA -0.006 58.114 58.200 -0.133 0.000 1.062 140 S CB 0.479 63.565 63.200 -0.189 0.000 0.865 140 S HN 0.307 nan 8.310 nan 0.000 0.498 141 I N 4.098 124.516 120.570 -0.254 0.000 2.339 141 I HA 0.253 4.354 4.170 -0.116 0.000 0.290 141 I C -0.140 175.790 176.117 -0.311 0.000 0.994 141 I CA -0.514 60.621 61.300 -0.274 0.000 1.191 141 I CB 0.781 38.685 38.000 -0.160 0.000 1.343 141 I HN 0.534 nan 8.210 nan 0.000 0.458 142 H N 6.405 125.416 119.070 -0.098 0.000 2.488 142 H HA 0.411 4.900 4.556 -0.113 0.000 0.322 142 H C -0.969 174.256 175.328 -0.172 0.000 1.078 142 H CA -0.428 55.607 56.048 -0.022 0.000 1.260 142 H CB 1.296 31.050 29.762 -0.012 0.000 1.425 142 H HN 0.284 nan 8.280 nan 0.000 0.471 143 F N 1.554 121.593 119.950 0.147 0.000 2.427 143 F HA 0.254 4.710 4.527 -0.118 0.000 0.346 143 F C 0.294 176.163 175.800 0.115 0.000 1.120 143 F CA -0.882 57.211 58.000 0.155 0.000 1.033 143 F CB 1.368 40.506 39.000 0.229 0.000 1.126 143 F HN 0.127 nan 8.300 nan 0.000 0.462 144 V N 3.465 123.521 119.914 0.237 0.000 2.311 144 V HA 0.141 4.192 4.120 -0.116 0.000 0.275 144 V C 0.059 176.221 176.094 0.113 0.000 1.022 144 V CA -0.291 62.100 62.300 0.152 0.000 0.830 144 V CB 0.715 32.632 31.823 0.156 0.000 1.012 144 V HN 1.094 nan 8.190 nan 0.000 0.452 145 C N 2.292 121.569 119.300 -0.039 0.000 2.543 145 C HA 0.123 4.513 4.460 -0.116 0.000 0.289 145 C C 1.313 176.172 174.990 -0.219 0.000 1.368 145 C CA -0.369 58.485 59.018 -0.274 0.000 1.778 145 C CB -0.661 26.667 27.740 -0.687 0.000 2.155 145 C HN 0.954 nan 8.230 nan 0.000 0.529 146 N N 1.688 120.206 118.700 -0.304 0.000 2.689 146 N HA -0.159 4.511 4.740 -0.116 0.000 0.263 146 N C -0.437 174.979 175.510 -0.157 0.000 0.987 146 N CA 1.327 54.227 53.050 -0.249 0.000 0.782 146 N CB -0.829 37.759 38.487 0.168 0.000 0.903 146 N HN 0.695 nan 8.380 nan 0.000 0.547 147 S N -0.869 114.513 115.700 -0.530 0.000 2.533 147 S HA 0.552 4.952 4.470 -0.116 0.000 0.271 147 S C -1.062 173.474 174.600 -0.107 0.000 1.143 147 S CA -0.883 57.306 58.200 -0.018 0.000 0.891 147 S CB 0.746 64.101 63.200 0.257 0.000 1.105 147 S HN 0.290 nan 8.310 nan 0.000 0.468 148 W N 3.759 125.245 121.300 0.310 0.000 2.238 148 W HA 0.461 5.047 4.660 -0.125 0.000 0.321 148 W C 0.062 176.663 176.519 0.136 0.000 1.293 148 W CA -0.687 56.826 57.345 0.280 0.000 1.204 148 W CB 0.617 30.343 29.460 0.444 0.000 1.167 148 W HN 0.390 nan 8.180 nan 0.000 0.553 149 I N 5.302 125.891 120.570 0.032 0.000 2.371 149 I HA 0.156 4.257 4.170 -0.116 0.000 0.282 149 I C -0.583 175.510 176.117 -0.040 0.000 1.031 149 I CA -1.593 59.620 61.300 -0.145 0.000 1.180 149 I CB -0.730 36.881 38.000 -0.648 0.000 1.336 149 I HN 0.321 nan 8.210 nan 0.000 0.467 150 Y N 3.710 124.108 120.300 0.164 0.000 2.316 150 Y HA 0.197 4.676 4.550 -0.119 0.000 0.324 150 Y C 1.378 177.388 175.900 0.183 0.000 1.267 150 Y CA -0.163 58.069 58.100 0.220 0.000 1.311 150 Y CB 0.524 39.187 38.460 0.338 0.000 1.267 150 Y HN 0.503 nan 8.280 nan 0.000 0.516 151 N N 1.244 120.060 118.700 0.193 0.000 2.293 151 N HA -0.126 4.544 4.740 -0.116 0.000 0.253 151 N C 0.888 176.448 175.510 0.084 0.000 1.248 151 N CA 0.677 53.778 53.050 0.086 0.000 0.845 151 N CB 0.973 39.480 38.487 0.033 0.000 1.073 151 N HN 0.933 nan 8.380 nan 0.000 0.464 152 A N 5.740 128.572 122.820 0.020 0.000 1.909 152 A HA -0.251 3.999 4.320 -0.116 0.000 0.221 152 A C 1.901 179.503 177.584 0.031 0.000 1.223 152 A CA 1.925 53.969 52.037 0.011 0.000 0.658 152 A CB -0.556 18.319 19.000 -0.207 0.000 0.831 152 A HN 0.891 nan 8.150 nan 0.000 0.462 153 K N -0.623 119.761 120.400 -0.026 0.000 2.442 153 K HA -0.098 4.152 4.320 -0.116 0.000 0.200 153 K C 1.445 177.893 176.600 -0.254 0.000 1.045 153 K CA 1.144 57.378 56.287 -0.088 0.000 0.937 153 K CB -0.411 32.043 32.500 -0.076 0.000 0.757 153 K HN 0.593 nan 8.250 nan 0.000 0.474 154 L N -0.578 120.349 121.223 -0.493 0.000 2.375 154 L HA 0.077 4.348 4.340 -0.116 0.000 0.215 154 L C 0.257 176.527 176.870 -1.000 0.000 1.108 154 L CA 0.183 54.391 54.840 -1.053 0.000 0.830 154 L CB 0.082 41.039 42.059 -1.836 0.000 0.959 154 L HN -0.047 nan 8.230 nan 0.000 0.457 155 F N -0.948 118.941 119.950 -0.101 0.000 2.469 155 F HA 0.313 4.771 4.527 -0.116 0.000 0.332 155 F C 1.102 176.892 175.800 -0.016 0.000 1.103 155 F CA -0.932 57.064 58.000 -0.007 0.000 0.979 155 F CB 1.554 40.559 39.000 0.009 0.000 1.137 155 F HN -0.319 nan 8.300 nan 0.000 0.463 156 K N 0.952 121.449 120.400 0.162 0.000 2.116 156 K HA -0.003 4.247 4.320 -0.116 0.000 0.203 156 K C 0.509 177.152 176.600 0.072 0.000 1.052 156 K CA 0.784 57.124 56.287 0.088 0.000 0.952 156 K CB 0.177 32.724 32.500 0.079 0.000 0.729 156 K HN 0.555 nan 8.250 nan 0.000 0.446 157 S N 1.143 116.901 115.700 0.096 0.000 2.449 157 S HA 0.249 4.650 4.470 -0.116 0.000 0.310 157 S C -1.013 173.584 174.600 -0.005 0.000 1.096 157 S CA -1.157 57.059 58.200 0.026 0.000 1.095 157 S CB 1.023 64.269 63.200 0.076 0.000 1.007 157 S HN 0.139 nan 8.310 nan 0.000 0.474 158 D N 3.038 123.340 120.400 -0.163 0.000 2.443 158 D HA 0.051 4.621 4.640 -0.116 0.000 0.234 158 D C 0.387 176.641 176.300 -0.076 0.000 1.172 158 D CA 0.370 54.263 54.000 -0.178 0.000 0.878 158 D CB 0.381 40.952 40.800 -0.382 0.000 1.204 158 D HN 0.459 nan 8.370 nan 0.000 0.453 159 R N 1.525 121.924 120.500 -0.168 0.000 2.446 159 R HA 0.176 4.447 4.340 -0.116 0.000 0.314 159 R C 0.145 176.215 176.300 -0.383 0.000 1.003 159 R CA -0.035 55.869 56.100 -0.327 0.000 1.018 159 R CB -0.069 30.044 30.300 -0.312 0.000 0.945 159 R HN 0.507 nan 8.270 nan 0.000 0.419 160 I N 3.754 123.938 120.570 -0.644 0.000 2.437 160 I HA 0.423 4.524 4.170 -0.116 0.000 0.298 160 I C -1.040 174.237 176.117 -1.399 0.000 0.984 160 I CA -0.743 60.025 61.300 -0.888 0.000 1.214 160 I CB 0.800 38.365 38.000 -0.724 0.000 1.365 160 I HN 0.308 nan 8.210 nan 0.000 0.469 161 F N 5.833 125.221 119.950 -0.936 0.000 2.588 161 F HA 0.531 4.989 4.527 -0.115 0.000 0.314 161 F C -0.769 174.713 175.800 -0.531 0.000 1.069 161 F CA -0.506 57.101 58.000 -0.656 0.000 0.931 161 F CB 1.772 40.325 39.000 -0.746 0.000 1.260 161 F HN 0.172 nan 8.300 nan 0.000 0.465 162 F N 0.910 120.941 119.950 0.135 0.000 2.538 162 F HA 0.733 5.189 4.527 -0.118 0.000 0.325 162 F C 0.532 176.429 175.800 0.161 0.000 1.066 162 F CA -1.127 56.958 58.000 0.142 0.000 0.946 162 F CB 1.324 40.340 39.000 0.027 0.000 1.199 162 F HN 0.622 nan 8.300 nan 0.000 0.473 163 A N 1.730 124.599 122.820 0.081 0.000 2.504 163 A HA 0.007 4.257 4.320 -0.116 0.000 0.242 163 A C 1.385 178.887 177.584 -0.136 0.000 1.100 163 A CA 0.232 51.997 52.037 -0.453 0.000 0.786 163 A CB -0.196 18.502 19.000 -0.504 0.000 1.050 163 A HN 1.022 nan 8.150 nan 0.000 0.512 164 N N -0.952 117.622 118.700 -0.210 0.000 2.133 164 N HA -0.198 4.473 4.740 -0.116 0.000 0.193 164 N C 0.541 175.972 175.510 -0.132 0.000 1.012 164 N CA 1.366 54.352 53.050 -0.107 0.000 0.871 164 N CB -0.060 38.366 38.487 -0.101 0.000 1.011 164 N HN 0.652 nan 8.380 nan 0.000 0.435 165 Q N 1.085 120.778 119.800 -0.177 0.000 2.311 165 Q HA 0.082 4.352 4.340 -0.116 0.000 0.272 165 Q C -1.077 174.612 176.000 -0.519 0.000 1.012 165 Q CA 0.531 56.116 55.803 -0.363 0.000 0.891 165 Q CB 0.812 29.281 28.738 -0.447 0.000 1.201 165 Q HN 0.008 nan 8.270 nan 0.000 0.391 166 T N 5.425 119.690 114.554 -0.481 0.000 2.779 166 T HA 0.257 4.538 4.350 -0.116 0.000 0.296 166 T C -0.897 173.444 174.700 -0.598 0.000 0.938 166 T CA 0.255 62.113 62.100 -0.403 0.000 1.119 166 T CB -0.108 68.609 68.868 -0.251 0.000 0.891 166 T HN 0.321 nan 8.240 nan 0.000 0.526 167 Y N 2.307 122.489 120.300 -0.196 0.000 2.391 167 Y HA 0.480 4.961 4.550 -0.115 0.000 0.341 167 Y C -0.050 175.657 175.900 -0.321 0.000 0.965 167 Y CA -1.414 56.564 58.100 -0.204 0.000 1.067 167 Y CB 0.962 39.331 38.460 -0.152 0.000 1.199 167 Y HN 0.365 nan 8.280 nan 0.000 0.450 168 L N 5.787 126.883 121.223 -0.212 0.000 2.452 168 L HA 0.258 4.528 4.340 -0.116 0.000 0.267 168 L C -1.433 175.370 176.870 -0.112 0.000 1.188 168 L CA -1.999 52.637 54.840 -0.340 0.000 0.821 168 L CB 0.576 42.461 42.059 -0.290 0.000 1.102 168 L HN 0.416 nan 8.230 nan 0.000 0.470 169 P HA -0.174 nan 4.420 nan 0.000 0.216 169 P C 1.408 178.705 177.300 -0.006 0.000 1.150 169 P CA 1.655 64.758 63.100 0.005 0.000 0.843 169 P CB 0.130 31.869 31.700 0.066 0.000 0.787 170 S N -1.095 114.604 115.700 -0.002 0.000 2.474 170 S HA -0.118 4.283 4.470 -0.116 0.000 0.235 170 S C 1.545 176.138 174.600 -0.012 0.000 0.997 170 S CA 0.979 59.177 58.200 -0.003 0.000 0.949 170 S CB -0.847 62.356 63.200 0.004 0.000 0.766 170 S HN 0.308 nan 8.310 nan 0.000 0.517 171 E N 0.737 120.933 120.200 -0.007 0.000 2.473 171 E HA 0.096 4.376 4.350 -0.116 0.000 0.204 171 E C -0.349 176.194 176.600 -0.095 0.000 0.994 171 E CA -0.080 56.335 56.400 0.026 0.000 0.945 171 E CB 0.220 30.007 29.700 0.144 0.000 0.990 171 E HN 0.365 nan 8.360 nan 0.000 0.493 172 T N 4.496 118.955 114.554 -0.159 0.000 2.800 172 T HA -0.005 4.275 4.350 -0.116 0.000 0.283 172 T C -2.410 172.094 174.700 -0.328 0.000 0.999 172 T CA -0.657 61.232 62.100 -0.353 0.000 1.176 172 T CB 0.050 68.813 68.868 -0.176 0.000 0.973 172 T HN -0.057 nan 8.240 nan 0.000 0.519 173 P HA 0.089 nan 4.420 nan 0.000 0.260 173 P C 0.607 177.838 177.300 -0.115 0.000 1.185 173 P CA -0.018 62.935 63.100 -0.245 0.000 0.763 173 P CB 0.296 31.852 31.700 -0.241 0.000 0.776 174 A N 6.995 129.776 122.820 -0.065 0.000 1.948 174 A HA -0.141 4.109 4.320 -0.116 0.000 0.220 174 A C -0.417 177.168 177.584 0.001 0.000 1.177 174 A CA 1.696 53.715 52.037 -0.031 0.000 0.636 174 A CB -2.260 16.727 19.000 -0.023 0.000 0.815 174 A HN 0.462 nan 8.150 nan 0.000 0.449 175 P HA -0.044 nan 4.420 nan 0.000 0.231 175 P C 0.630 178.041 177.300 0.184 0.000 1.158 175 P CA 0.826 63.976 63.100 0.082 0.000 0.763 175 P CB -0.029 31.722 31.700 0.086 0.000 0.805 176 L N -2.834 118.480 121.223 0.151 0.000 2.906 176 L HA 0.121 4.391 4.340 -0.116 0.000 0.255 176 L C 1.799 178.790 176.870 0.201 0.000 1.166 176 L CA -0.085 54.928 54.840 0.288 0.000 0.977 176 L CB 0.063 42.258 42.059 0.227 0.000 1.313 176 L HN -0.220 nan 8.230 nan 0.000 0.549 177 V N 0.575 120.530 119.914 0.068 0.000 2.295 177 V HA -0.287 3.764 4.120 -0.116 0.000 0.246 177 V C 2.554 178.661 176.094 0.020 0.000 1.049 177 V CA 1.971 64.281 62.300 0.018 0.000 1.024 177 V CB -0.226 31.588 31.823 -0.016 0.000 0.648 177 V HN 0.430 nan 8.190 nan 0.000 0.447 178 K N -1.360 119.016 120.400 -0.041 0.000 2.103 178 K HA -0.163 4.087 4.320 -0.116 0.000 0.204 178 K C 2.194 178.763 176.600 -0.052 0.000 1.052 178 K CA 1.442 57.668 56.287 -0.101 0.000 0.945 178 K CB -0.200 32.173 32.500 -0.210 0.000 0.722 178 K HN 0.459 nan 8.250 nan 0.000 0.443 179 Y N 1.006 121.352 120.300 0.078 0.000 2.224 179 Y HA -0.182 4.298 4.550 -0.116 0.000 0.289 179 Y C 2.501 178.537 175.900 0.227 0.000 1.146 179 Y CA 1.519 59.691 58.100 0.120 0.000 1.182 179 Y CB -0.395 38.121 38.460 0.093 0.000 0.983 179 Y HN 0.093 nan 8.280 nan 0.000 0.524 180 R N 0.500 121.219 120.500 0.365 0.000 2.070 180 R HA -0.222 4.048 4.340 -0.116 0.000 0.232 180 R C 2.171 178.522 176.300 0.085 0.000 1.138 180 R CA 1.946 58.126 56.100 0.133 0.000 0.936 180 R CB -0.294 29.968 30.300 -0.063 0.000 0.839 180 R HN 0.207 nan 8.270 nan 0.000 0.429 181 E N 0.776 121.020 120.200 0.074 0.000 2.153 181 E HA -0.225 4.056 4.350 -0.116 0.000 0.194 181 E C 1.711 178.373 176.600 0.102 0.000 0.988 181 E CA 1.837 58.278 56.400 0.069 0.000 0.811 181 E CB -0.078 29.648 29.700 0.043 0.000 0.746 181 E HN 0.530 nan 8.360 nan 0.000 0.466 182 E N -0.199 120.072 120.200 0.118 0.000 2.047 182 E HA -0.207 4.074 4.350 -0.116 0.000 0.191 182 E C 1.887 178.596 176.600 0.182 0.000 0.987 182 E CA 0.942 57.428 56.400 0.143 0.000 0.799 182 E CB -0.105 29.673 29.700 0.129 0.000 0.752 182 E HN 0.150 nan 8.360 nan 0.000 0.449 183 E N 0.598 120.897 120.200 0.166 0.000 2.065 183 E HA -0.219 4.062 4.350 -0.116 0.000 0.201 183 E C 2.111 178.761 176.600 0.084 0.000 1.016 183 E CA 0.923 57.396 56.400 0.121 0.000 0.818 183 E CB -0.294 29.492 29.700 0.143 0.000 0.749 183 E HN 0.232 nan 8.360 nan 0.000 0.453 184 L N 0.417 121.683 121.223 0.072 0.000 2.079 184 L HA -0.185 4.086 4.340 -0.116 0.000 0.210 184 L C 2.476 179.374 176.870 0.048 0.000 1.081 184 L CA 1.925 56.783 54.840 0.030 0.000 0.752 184 L CB -1.245 40.828 42.059 0.025 0.000 0.896 184 L HN 0.329 nan 8.230 nan 0.000 0.433 185 H N -0.834 118.246 119.070 0.017 0.000 2.421 185 H HA -0.095 4.391 4.556 -0.116 0.000 0.298 185 H C 1.981 177.332 175.328 0.038 0.000 1.087 185 H CA 1.825 57.887 56.048 0.024 0.000 1.330 185 H CB 0.195 29.977 29.762 0.033 0.000 1.388 185 H HN 0.302 nan 8.280 nan 0.000 0.526 186 N N -0.216 118.481 118.700 -0.004 0.000 2.290 186 N HA -0.085 4.585 4.740 -0.116 0.000 0.179 186 N C 1.741 177.254 175.510 0.005 0.000 1.016 186 N CA 0.453 53.490 53.050 -0.022 0.000 0.871 186 N CB -0.172 38.362 38.487 0.079 0.000 0.987 186 N HN 0.251 nan 8.380 nan 0.000 0.431 187 L N 1.779 123.026 121.223 0.040 0.000 2.079 187 L HA -0.100 4.170 4.340 -0.116 0.000 0.210 187 L C 2.177 179.105 176.870 0.098 0.000 1.081 187 L CA 1.520 56.424 54.840 0.106 0.000 0.752 187 L CB -0.553 41.531 42.059 0.041 0.000 0.896 187 L HN 0.095 nan 8.230 nan 0.000 0.433 188 R N -1.255 119.231 120.500 -0.023 0.000 2.055 188 R HA 0.248 4.518 4.340 -0.116 0.000 0.226 188 R C 0.980 177.245 176.300 -0.059 0.000 1.135 188 R CA 0.636 56.709 56.100 -0.044 0.000 0.959 188 R CB -0.440 29.806 30.300 -0.090 0.000 0.854 188 R HN 0.455 nan 8.270 nan 0.000 0.431 189 G N 1.248 109.962 108.800 -0.143 0.000 2.828 189 G HA2 -0.259 3.631 3.960 -0.116 0.000 0.463 189 G HA3 -0.259 3.631 3.960 -0.116 0.000 0.463 189 G C -0.297 174.539 174.900 -0.107 0.000 1.394 189 G CA 0.018 45.036 45.100 -0.138 0.000 0.862 189 G HN 0.504 nan 8.290 nan 0.000 0.540 190 D N -0.220 120.135 120.400 -0.075 0.000 2.328 190 D HA 0.359 4.929 4.640 -0.116 0.000 0.226 190 D C 1.823 178.111 176.300 -0.019 0.000 1.066 190 D CA 1.131 55.112 54.000 -0.033 0.000 0.861 190 D CB -0.455 40.339 40.800 -0.009 0.000 0.912 190 D HN 2.268 nan 8.370 nan 0.000 0.521 191 G N 0.044 108.826 108.800 -0.030 0.000 2.184 191 G HA2 -0.261 3.629 3.960 -0.116 0.000 0.264 191 G HA3 -0.261 3.629 3.960 -0.116 0.000 0.264 191 G C 0.431 175.310 174.900 -0.035 0.000 0.975 191 G CA 0.847 45.934 45.100 -0.020 0.000 0.642 191 G HN 0.892 nan 8.290 nan 0.000 0.536 192 T N -2.419 112.105 114.554 -0.049 0.000 2.930 192 T HA 0.916 5.197 4.350 -0.116 0.000 0.290 192 T C 0.458 175.105 174.700 -0.089 0.000 1.052 192 T CA 0.385 62.451 62.100 -0.057 0.000 1.017 192 T CB 2.478 71.322 68.868 -0.039 0.000 1.137 192 T HN 2.345 nan 8.240 nan 0.000 0.511 193 G N 0.484 109.227 108.800 -0.095 0.000 2.629 193 G HA2 0.022 3.913 3.960 -0.116 0.000 0.686 193 G HA3 0.022 3.913 3.960 -0.116 0.000 0.686 193 G C -0.835 173.963 174.900 -0.169 0.000 1.232 193 G CA -0.663 44.363 45.100 -0.123 0.000 0.803 193 G HN 1.028 nan 8.290 nan 0.000 0.638 194 E N 0.534 120.627 120.200 -0.180 0.000 2.289 194 E HA 0.315 4.595 4.350 -0.116 0.000 0.278 194 E C 0.738 177.120 176.600 -0.364 0.000 1.032 194 E CA -0.696 55.568 56.400 -0.226 0.000 0.854 194 E CB 0.423 30.020 29.700 -0.171 0.000 1.046 194 E HN 0.403 nan 8.360 nan 0.000 0.409 195 R N 3.170 123.361 120.500 -0.515 0.000 2.539 195 R HA 0.263 4.534 4.340 -0.116 0.000 0.275 195 R C -0.081 175.755 176.300 -0.773 0.000 1.077 195 R CA -0.347 55.222 56.100 -0.885 0.000 1.097 195 R CB 0.653 29.904 30.300 -1.748 0.000 1.018 195 R HN 0.359 nan 8.270 nan 0.000 0.483 196 K N 1.473 121.360 120.400 -0.854 0.000 2.238 196 K HA 0.113 4.364 4.320 -0.116 0.000 0.239 196 K C 0.926 177.154 176.600 -0.621 0.000 0.987 196 K CA -0.633 55.199 56.287 -0.758 0.000 0.857 196 K CB 1.286 33.122 32.500 -1.107 0.000 1.154 196 K HN 0.581 nan 8.250 nan 0.000 0.439 197 E N 1.555 121.502 120.200 -0.422 0.000 2.204 197 E HA -0.117 4.163 4.350 -0.116 0.000 0.194 197 E C 0.434 176.866 176.600 -0.280 0.000 0.989 197 E CA 1.108 57.406 56.400 -0.172 0.000 0.824 197 E CB 0.180 29.861 29.700 -0.031 0.000 0.756 197 E HN 0.656 nan 8.360 nan 0.000 0.477 198 W N 1.232 122.316 121.300 -0.361 0.000 3.345 198 W HA 0.337 4.927 4.660 -0.118 0.000 0.282 198 W C -0.119 176.286 176.519 -0.190 0.000 1.302 198 W CA -0.514 56.411 57.345 -0.700 0.000 1.724 198 W CB -0.361 28.636 29.460 -0.772 0.000 1.104 198 W HN -0.140 nan 8.180 nan 0.000 0.694 199 E N 1.411 121.476 120.200 -0.224 0.000 2.248 199 E HA 0.345 4.626 4.350 -0.116 0.000 0.272 199 E C -0.242 176.429 176.600 0.118 0.000 1.008 199 E CA -0.720 55.638 56.400 -0.070 0.000 0.856 199 E CB 1.252 30.703 29.700 -0.414 0.000 1.120 199 E HN -0.071 nan 8.360 nan 0.000 0.397 200 R N 2.139 122.733 120.500 0.157 0.000 2.835 200 R HA 0.374 4.645 4.340 -0.116 0.000 0.290 200 R C -0.619 175.769 176.300 0.147 0.000 1.410 200 R CA -0.142 56.054 56.100 0.160 0.000 1.590 200 R CB 0.232 30.689 30.300 0.261 0.000 1.288 200 R HN 0.353 nan 8.270 nan 0.000 0.637 201 I N 1.404 121.995 120.570 0.034 0.000 2.378 201 I HA 0.315 4.416 4.170 -0.116 0.000 0.291 201 I C -0.755 175.300 176.117 -0.104 0.000 0.992 201 I CA -0.974 60.343 61.300 0.029 0.000 1.154 201 I CB 1.399 39.372 38.000 -0.045 0.000 1.315 201 I HN 0.203 nan 8.210 nan 0.000 0.448 202 Y N 4.545 124.837 120.300 -0.015 0.000 2.331 202 Y HA 0.499 4.977 4.550 -0.120 0.000 0.338 202 Y C -0.002 175.797 175.900 -0.168 0.000 0.976 202 Y CA -0.351 57.697 58.100 -0.086 0.000 1.137 202 Y CB 1.120 39.531 38.460 -0.081 0.000 1.172 202 Y HN 0.468 nan 8.280 nan 0.000 0.478 203 D N 0.747 121.046 120.400 -0.168 0.000 2.713 203 D HA 0.293 4.864 4.640 -0.116 0.000 0.306 203 D C -1.821 174.223 176.300 -0.425 0.000 1.299 203 D CA -0.795 53.054 54.000 -0.252 0.000 0.823 203 D CB 1.315 42.078 40.800 -0.061 0.000 1.353 203 D HN 0.274 nan 8.370 nan 0.000 0.447 204 Y N 0.499 120.788 120.300 -0.017 0.000 2.409 204 Y HA 0.541 5.022 4.550 -0.115 0.000 0.339 204 Y C 0.361 176.231 175.900 -0.051 0.000 1.033 204 Y CA -0.487 57.586 58.100 -0.045 0.000 1.094 204 Y CB 1.634 40.063 38.460 -0.052 0.000 1.210 204 Y HN 0.078 nan 8.280 nan 0.000 0.456 205 D N 0.427 120.869 120.400 0.071 0.000 2.570 205 D HA 0.470 5.041 4.640 -0.116 0.000 0.244 205 D C -1.066 175.243 176.300 0.015 0.000 1.178 205 D CA -0.418 53.597 54.000 0.025 0.000 0.881 205 D CB 2.682 43.465 40.800 -0.027 0.000 1.453 205 D HN 0.359 nan 8.370 nan 0.000 0.447 206 V N -0.257 119.679 119.914 0.036 0.000 3.295 206 V HA 0.391 4.442 4.120 -0.116 0.000 0.308 206 V C -0.013 176.116 176.094 0.059 0.000 1.068 206 V CA -0.277 62.082 62.300 0.098 0.000 1.062 206 V CB 0.454 32.347 31.823 0.116 0.000 1.162 206 V HN 0.491 nan 8.190 nan 0.000 0.456 207 Y N 2.738 123.058 120.300 0.034 0.000 2.667 207 Y HA 0.307 4.786 4.550 -0.118 0.000 0.340 207 Y C 1.030 176.911 175.900 -0.032 0.000 1.303 207 Y CA -0.453 57.649 58.100 0.004 0.000 1.769 207 Y CB -0.414 38.028 38.460 -0.030 0.000 1.804 207 Y HN 0.844 nan 8.280 nan 0.000 0.451 208 N N -1.166 117.575 118.700 0.069 0.000 2.458 208 N HA 0.041 4.711 4.740 -0.116 0.000 0.274 208 N C 0.049 175.568 175.510 0.015 0.000 1.242 208 N CA 0.036 53.110 53.050 0.041 0.000 0.904 208 N CB 0.361 38.868 38.487 0.034 0.000 1.206 208 N HN 0.353 nan 8.380 nan 0.000 0.510 209 D N -0.087 120.323 120.400 0.017 0.000 2.469 209 D HA 0.228 4.798 4.640 -0.116 0.000 0.240 209 D C 1.507 177.805 176.300 -0.004 0.000 1.087 209 D CA 0.123 54.119 54.000 -0.007 0.000 0.876 209 D CB 0.580 41.363 40.800 -0.029 0.000 1.160 209 D HN 0.154 nan 8.370 nan 0.000 0.497 210 L N 0.041 121.269 121.223 0.008 0.000 2.209 210 L HA 0.260 4.531 4.340 -0.116 0.000 0.207 210 L C 1.543 178.392 176.870 -0.035 0.000 1.094 210 L CA 0.538 55.367 54.840 -0.018 0.000 0.790 210 L CB -0.285 41.755 42.059 -0.032 0.000 0.932 210 L HN -0.042 nan 8.230 nan 0.000 0.447 211 G N -1.151 107.636 108.800 -0.021 0.000 2.502 211 G HA2 0.207 4.098 3.960 -0.116 0.000 0.305 211 G HA3 0.207 4.098 3.960 -0.116 0.000 0.305 211 G C -1.026 173.876 174.900 0.003 0.000 1.190 211 G CA -0.130 44.967 45.100 -0.005 0.000 0.933 211 G HN -0.012 nan 8.290 nan 0.000 0.503 212 D N -0.215 120.206 120.400 0.036 0.000 2.963 212 D HA 0.261 4.832 4.640 -0.116 0.000 0.361 212 D C -1.354 174.992 176.300 0.077 0.000 1.317 212 D CA -1.534 52.478 54.000 0.020 0.000 0.832 212 D CB 0.966 41.723 40.800 -0.071 0.000 1.135 212 D HN 0.081 nan 8.370 nan 0.000 0.476 213 P HA -0.059 nan 4.420 nan 0.000 0.231 213 P C 0.569 177.900 177.300 0.052 0.000 1.158 213 P CA 0.636 63.773 63.100 0.061 0.000 0.763 213 P CB 0.592 32.313 31.700 0.036 0.000 0.805 214 D N 0.104 120.529 120.400 0.041 0.000 2.234 214 D HA -0.080 4.490 4.640 -0.116 0.000 0.205 214 D C 1.886 178.214 176.300 0.047 0.000 0.962 214 D CA 0.875 54.893 54.000 0.031 0.000 0.855 214 D CB -0.204 40.604 40.800 0.013 0.000 0.951 214 D HN 0.262 nan 8.370 nan 0.000 0.500 215 K N 0.062 120.506 120.400 0.074 0.000 2.217 215 K HA 0.062 4.313 4.320 -0.116 0.000 0.202 215 K C 0.342 177.061 176.600 0.198 0.000 1.051 215 K CA 0.659 57.015 56.287 0.116 0.000 0.952 215 K CB 0.375 32.909 32.500 0.056 0.000 0.736 215 K HN 0.157 nan 8.250 nan 0.000 0.453 216 G N 0.189 109.093 108.800 0.173 0.000 2.322 216 G HA2 -0.062 3.829 3.960 -0.116 0.000 0.289 216 G HA3 -0.062 3.829 3.960 -0.116 0.000 0.289 216 G C -0.657 174.221 174.900 -0.036 0.000 1.687 216 G CA -0.723 44.403 45.100 0.043 0.000 0.944 216 G HN -0.018 nan 8.290 nan 0.000 0.718 217 E N 0.558 120.732 120.200 -0.043 0.000 2.393 217 E HA -0.139 4.142 4.350 -0.116 0.000 0.201 217 E C 2.217 178.767 176.600 -0.084 0.000 1.025 217 E CA 1.620 57.996 56.400 -0.040 0.000 0.856 217 E CB 0.005 29.691 29.700 -0.023 0.000 0.771 217 E HN 0.644 nan 8.360 nan 0.000 0.526 218 N N -1.152 117.433 118.700 -0.193 0.000 2.398 218 N HA -0.109 4.561 4.740 -0.116 0.000 0.188 218 N C 0.521 175.862 175.510 -0.280 0.000 1.122 218 N CA 0.258 53.166 53.050 -0.236 0.000 0.866 218 N CB -0.070 38.273 38.487 -0.241 0.000 0.970 218 N HN 0.217 nan 8.380 nan 0.000 0.462 219 H N 0.637 119.690 119.070 -0.029 0.000 2.526 219 H HA 0.316 4.803 4.556 -0.116 0.000 0.274 219 H C 0.668 175.976 175.328 -0.034 0.000 0.999 219 H CA -0.254 55.772 56.048 -0.037 0.000 1.157 219 H CB 0.110 29.852 29.762 -0.033 0.000 1.407 219 H HN 0.303 nan 8.280 nan 0.000 0.568 220 A N 1.836 124.679 122.820 0.039 0.000 2.425 220 A HA 0.395 4.645 4.320 -0.116 0.000 0.249 220 A C 0.436 178.026 177.584 0.009 0.000 1.084 220 A CA -0.093 51.961 52.037 0.027 0.000 0.781 220 A CB 0.590 19.602 19.000 0.020 0.000 1.019 220 A HN 0.124 nan 8.150 nan 0.000 0.490 221 R N 1.552 122.053 120.500 0.001 0.000 2.744 221 R HA 0.558 4.829 4.340 -0.116 0.000 0.279 221 R C -2.862 173.425 176.300 -0.021 0.000 0.977 221 R CA -1.913 54.169 56.100 -0.031 0.000 0.906 221 R CB 1.405 31.667 30.300 -0.064 0.000 1.197 221 R HN 0.672 nan 8.270 nan 0.000 0.463 222 P HA 0.159 nan 4.420 nan 0.000 0.275 222 P C -0.290 176.983 177.300 -0.045 0.000 1.228 222 P CA -0.417 62.687 63.100 0.008 0.000 0.786 222 P CB 0.743 32.483 31.700 0.066 0.000 0.927 223 V N 4.014 123.958 119.914 0.050 0.000 2.439 223 V HA 0.022 4.073 4.120 -0.116 0.000 0.271 223 V C 0.722 176.850 176.094 0.055 0.000 1.040 223 V CA -0.078 62.253 62.300 0.052 0.000 1.002 223 V CB -0.263 31.613 31.823 0.088 0.000 1.000 223 V HN 0.308 nan 8.190 nan 0.000 0.477 224 L N 5.703 126.901 121.223 -0.042 0.000 2.260 224 L HA 0.805 5.076 4.340 -0.116 0.000 0.289 224 L C 0.734 177.671 176.870 0.112 0.000 1.057 224 L CA 0.006 54.778 54.840 -0.113 0.000 0.811 224 L CB 0.428 42.051 42.059 -0.728 0.000 1.184 224 L HN 0.868 nan 8.230 nan 0.000 0.429 225 G N 1.308 110.229 108.800 0.203 0.000 2.640 225 G HA2 0.355 4.246 3.960 -0.116 0.000 0.686 225 G HA3 0.355 4.246 3.960 -0.116 0.000 0.686 225 G C 0.182 175.189 174.900 0.179 0.000 1.229 225 G CA -0.297 44.942 45.100 0.231 0.000 0.796 225 G HN 1.078 nan 8.290 nan 0.000 0.654 226 G N -0.450 108.447 108.800 0.161 0.000 2.179 226 G HA2 0.209 4.100 3.960 -0.116 0.000 0.220 226 G HA3 0.209 4.100 3.960 -0.116 0.000 0.220 226 G C 0.138 175.105 174.900 0.111 0.000 0.990 226 G CA 0.931 46.100 45.100 0.115 0.000 0.646 226 G HN 2.669 nan 8.290 nan 0.000 0.517 227 N N -1.490 117.295 118.700 0.142 0.000 2.825 227 N HA 0.554 5.225 4.740 -0.116 0.000 0.253 227 N C 0.000 175.594 175.510 0.140 0.000 1.426 227 N CA -0.280 52.842 53.050 0.121 0.000 0.851 227 N CB 0.571 39.127 38.487 0.114 0.000 1.470 227 N HN -0.175 nan 8.380 nan 0.000 0.517 228 D N -0.734 119.723 120.400 0.096 0.000 2.301 228 D HA -0.003 4.567 4.640 -0.116 0.000 0.206 228 D C 0.938 177.274 176.300 0.059 0.000 0.979 228 D CA 1.040 55.093 54.000 0.089 0.000 0.874 228 D CB -0.172 40.664 40.800 0.059 0.000 0.968 228 D HN 0.609 nan 8.370 nan 0.000 0.510 229 T N 0.447 114.994 114.554 -0.011 0.000 2.701 229 T HA -0.070 4.210 4.350 -0.116 0.000 0.263 229 T C 0.341 174.929 174.700 -0.186 0.000 1.040 229 T CA 0.847 62.840 62.100 -0.180 0.000 1.147 229 T CB -0.046 68.626 68.868 -0.327 0.000 0.865 229 T HN 0.004 nan 8.240 nan 0.000 0.426 230 F N 2.516 122.542 119.950 0.128 0.000 2.552 230 F HA 0.398 4.856 4.527 -0.115 0.000 0.369 230 F C -2.511 173.405 175.800 0.192 0.000 1.112 230 F CA -3.502 54.585 58.000 0.145 0.000 1.129 230 F CB 1.233 40.283 39.000 0.083 0.000 1.360 230 F HN -0.069 nan 8.300 nan 0.000 0.473 231 P HA 0.281 nan 4.420 nan 0.000 0.276 231 P C -1.298 176.341 177.300 0.564 0.000 1.244 231 P CA -0.255 63.133 63.100 0.480 0.000 0.801 231 P CB 1.761 33.761 31.700 0.501 0.000 1.006 232 Y N -0.136 120.209 120.300 0.076 0.000 2.592 232 Y HA 0.340 4.820 4.550 -0.116 0.000 0.334 232 Y C -2.468 173.088 175.900 -0.572 0.000 1.136 232 Y CA -2.264 55.573 58.100 -0.439 0.000 1.042 232 Y CB 1.947 40.257 38.460 -0.251 0.000 1.325 232 Y HN 0.261 nan 8.280 nan 0.000 0.457 233 P HA 0.194 nan 4.420 nan 0.000 0.272 233 P C -0.597 176.561 177.300 -0.236 0.000 1.223 233 P CA -0.116 62.507 63.100 -0.794 0.000 0.784 233 P CB 0.859 31.979 31.700 -0.967 0.000 0.923 234 R N 1.799 122.195 120.500 -0.172 0.000 2.577 234 R HA 0.377 4.648 4.340 -0.116 0.000 0.269 234 R C 0.921 177.251 176.300 0.050 0.000 1.084 234 R CA -0.365 55.769 56.100 0.057 0.000 1.163 234 R CB 0.293 30.663 30.300 0.118 0.000 1.100 234 R HN 0.632 nan 8.270 nan 0.000 0.547 235 R N -0.953 119.503 120.500 -0.073 0.000 3.006 235 R HA 0.545 4.815 4.340 -0.116 0.000 0.235 235 R C 0.035 176.240 176.300 -0.158 0.000 1.362 235 R CA -0.795 55.186 56.100 -0.198 0.000 1.067 235 R CB -0.402 29.560 30.300 -0.563 0.000 1.396 235 R HN 0.625 nan 8.270 nan 0.000 0.504 236 G N 0.433 109.131 108.800 -0.170 0.000 2.361 236 G HA2 0.192 4.082 3.960 -0.116 0.000 0.260 236 G HA3 0.192 4.082 3.960 -0.116 0.000 0.260 236 G C -0.610 174.222 174.900 -0.112 0.000 1.261 236 G CA -0.600 44.403 45.100 -0.163 0.000 0.897 236 G HN 0.488 nan 8.290 nan 0.000 0.499 237 R N 1.489 121.933 120.500 -0.094 0.000 2.484 237 R HA 0.203 4.474 4.340 -0.116 0.000 0.293 237 R C 0.262 176.571 176.300 0.014 0.000 1.023 237 R CA 0.329 56.399 56.100 -0.050 0.000 1.037 237 R CB 0.147 30.414 30.300 -0.056 0.000 0.951 237 R HN 0.594 nan 8.270 nan 0.000 0.418 238 T N 0.560 115.107 114.554 -0.011 0.000 2.912 238 T HA 0.528 4.809 4.350 -0.116 0.000 0.288 238 T C 0.464 175.101 174.700 -0.104 0.000 1.030 238 T CA -0.834 61.252 62.100 -0.023 0.000 1.020 238 T CB 2.103 70.971 68.868 0.001 0.000 1.056 238 T HN 0.553 nan 8.240 nan 0.000 0.480 239 G N 1.171 109.872 108.800 -0.165 0.000 4.757 239 G HA2 0.344 4.234 3.960 -0.116 0.000 0.303 239 G HA3 0.344 4.234 3.960 -0.116 0.000 0.303 239 G C 0.171 175.005 174.900 -0.110 0.000 1.318 239 G CA -0.808 44.215 45.100 -0.128 0.000 1.020 239 G HN 0.628 nan 8.290 nan 0.000 0.589 240 R N 1.021 121.468 120.500 -0.089 0.000 2.784 240 R HA 0.207 4.478 4.340 -0.116 0.000 0.266 240 R C 0.912 177.178 176.300 -0.057 0.000 1.044 240 R CA -0.202 55.854 56.100 -0.072 0.000 1.151 240 R CB 0.781 31.047 30.300 -0.056 0.000 1.037 240 R HN 0.425 nan 8.270 nan 0.000 0.478 241 K N 2.417 122.788 120.400 -0.048 0.000 2.380 241 K HA 0.126 4.376 4.320 -0.116 0.000 0.267 241 K C -2.266 174.318 176.600 -0.028 0.000 0.990 241 K CA -1.231 55.034 56.287 -0.037 0.000 0.946 241 K CB 0.314 32.795 32.500 -0.032 0.000 0.937 241 K HN 0.297 nan 8.250 nan 0.000 0.491 242 P HA -0.001 nan 4.420 nan 0.000 0.272 242 P C -0.332 176.961 177.300 -0.011 0.000 1.240 242 P CA -0.257 62.835 63.100 -0.014 0.000 0.791 242 P CB 0.348 32.042 31.700 -0.009 0.000 0.978 243 T N 1.721 116.271 114.554 -0.007 0.000 2.903 243 T HA 0.027 4.307 4.350 -0.116 0.000 0.314 243 T C 1.715 176.414 174.700 -0.000 0.000 1.078 243 T CA 0.127 62.225 62.100 -0.003 0.000 1.114 243 T CB 0.179 69.048 68.868 0.002 0.000 0.987 243 T HN 0.322 nan 8.240 nan 0.000 0.548 244 R N 1.342 121.843 120.500 0.001 0.000 2.090 244 R HA 0.060 4.331 4.340 -0.116 0.000 0.228 244 R C 2.366 178.670 176.300 0.006 0.000 1.110 244 R CA 1.018 57.119 56.100 0.002 0.000 0.973 244 R CB 0.023 30.324 30.300 0.002 0.000 0.869 244 R HN 0.450 nan 8.270 nan 0.000 0.440 245 K N -0.018 120.388 120.400 0.009 0.000 2.305 245 K HA -0.000 4.250 4.320 -0.116 0.000 0.199 245 K C -0.197 176.410 176.600 0.013 0.000 1.047 245 K CA 0.628 56.922 56.287 0.011 0.000 0.976 245 K CB 0.228 32.737 32.500 0.014 0.000 0.765 245 K HN 0.045 nan 8.250 nan 0.000 0.474 246 D N 0.200 120.608 120.400 0.013 0.000 2.476 246 D HA 0.131 4.701 4.640 -0.116 0.000 0.251 246 D C -2.053 174.254 176.300 0.012 0.000 1.291 246 D CA -2.244 51.766 54.000 0.016 0.000 0.939 246 D CB 1.841 42.653 40.800 0.020 0.000 1.221 246 D HN -0.212 nan 8.370 nan 0.000 0.567 247 P HA -0.050 nan 4.420 nan 0.000 0.223 247 P C 0.585 177.892 177.300 0.011 0.000 1.151 247 P CA 0.667 63.772 63.100 0.009 0.000 0.787 247 P CB 0.425 32.130 31.700 0.008 0.000 0.788 248 N N -0.671 118.039 118.700 0.017 0.000 2.461 248 N HA 0.056 4.727 4.740 -0.116 0.000 0.188 248 N C 0.117 175.640 175.510 0.022 0.000 1.134 248 N CA 0.338 53.401 53.050 0.022 0.000 0.878 248 N CB 0.270 38.776 38.487 0.032 0.000 0.972 248 N HN 0.102 nan 8.380 nan 0.000 0.456 249 S N 0.206 115.916 115.700 0.016 0.000 2.578 249 S HA 0.215 4.615 4.470 -0.116 0.000 0.301 249 S C -0.350 174.251 174.600 0.002 0.000 1.091 249 S CA -0.675 57.532 58.200 0.012 0.000 1.032 249 S CB 2.824 66.032 63.200 0.015 0.000 1.064 249 S HN 0.114 nan 8.310 nan 0.000 0.508 250 E N 1.723 121.920 120.200 -0.005 0.000 2.227 250 E HA 0.281 4.562 4.350 -0.116 0.000 0.282 250 E C -0.086 176.503 176.600 -0.018 0.000 1.015 250 E CA -0.430 55.960 56.400 -0.016 0.000 0.823 250 E CB 0.826 30.510 29.700 -0.026 0.000 1.081 250 E HN 0.680 nan 8.360 nan 0.000 0.396 251 S N 4.798 120.485 115.700 -0.021 0.000 2.571 251 S HA -0.058 4.342 4.470 -0.116 0.000 0.298 251 S C 0.184 174.767 174.600 -0.028 0.000 1.280 251 S CA -0.202 57.984 58.200 -0.023 0.000 1.052 251 S CB 0.514 63.698 63.200 -0.026 0.000 0.799 251 S HN 0.421 nan 8.310 nan 0.000 0.501 252 R N 1.857 122.339 120.500 -0.029 0.000 2.459 252 R HA 0.581 4.851 4.340 -0.116 0.000 0.281 252 R C 0.075 176.354 176.300 -0.035 0.000 1.050 252 R CA -0.293 55.786 56.100 -0.035 0.000 1.055 252 R CB 1.373 31.647 30.300 -0.042 0.000 1.045 252 R HN 0.804 nan 8.270 nan 0.000 0.495 253 S N 0.201 115.880 115.700 -0.035 0.000 2.556 253 S HA 0.272 4.672 4.470 -0.116 0.000 0.271 253 S C 0.251 174.832 174.600 -0.031 0.000 1.135 253 S CA -0.723 57.458 58.200 -0.031 0.000 0.858 253 S CB 1.461 64.643 63.200 -0.029 0.000 1.114 253 S HN 0.664 nan 8.310 nan 0.000 0.468 254 N N 0.773 119.455 118.700 -0.029 0.000 2.416 254 N HA 0.031 4.702 4.740 -0.116 0.000 0.177 254 N C -0.795 174.702 175.510 -0.022 0.000 1.036 254 N CA 0.499 53.531 53.050 -0.030 0.000 0.901 254 N CB 0.151 38.620 38.487 -0.031 0.000 0.976 254 N HN 0.559 nan 8.380 nan 0.000 0.444 255 D N 1.629 122.021 120.400 -0.015 0.000 2.485 255 D HA 0.142 4.713 4.640 -0.116 0.000 0.229 255 D C -0.577 175.725 176.300 0.003 0.000 1.101 255 D CA -0.098 53.899 54.000 -0.004 0.000 0.906 255 D CB 1.899 42.699 40.800 0.001 0.000 1.019 255 D HN -0.188 nan 8.370 nan 0.000 0.516 256 V N 3.355 123.269 119.914 0.001 0.000 2.427 256 V HA -0.020 4.030 4.120 -0.116 0.000 0.268 256 V C 0.188 176.293 176.094 0.017 0.000 1.046 256 V CA -0.630 61.673 62.300 0.006 0.000 0.970 256 V CB -0.053 31.763 31.823 -0.011 0.000 1.001 256 V HN 0.392 nan 8.190 nan 0.000 0.476 257 Y N 7.715 127.957 120.300 -0.097 0.000 2.610 257 Y HA 0.457 4.941 4.550 -0.111 0.000 0.332 257 Y C -0.194 175.633 175.900 -0.121 0.000 1.201 257 Y CA -0.367 57.658 58.100 -0.125 0.000 1.465 257 Y CB 0.529 38.887 38.460 -0.170 0.000 1.283 257 Y HN 0.581 nan 8.280 nan 0.000 0.563 258 L N 4.980 125.661 121.223 -0.904 0.000 2.371 258 L HA 0.748 5.018 4.340 -0.116 0.000 0.262 258 L C -2.914 173.184 176.870 -1.287 0.000 1.006 258 L CA -2.828 51.417 54.840 -0.991 0.000 0.818 258 L CB 1.470 43.294 42.059 -0.393 0.000 1.354 258 L HN 0.358 nan 8.230 nan 0.000 0.415 259 P HA 0.119 nan 4.420 nan 0.000 0.265 259 P C 0.062 177.224 177.300 -0.230 0.000 1.193 259 P CA -0.249 62.488 63.100 -0.606 0.000 0.765 259 P CB 0.765 31.944 31.700 -0.869 0.000 0.823 260 R N 3.293 123.763 120.500 -0.049 0.000 2.117 260 R HA -0.159 4.111 4.340 -0.116 0.000 0.243 260 R C 0.808 177.208 176.300 0.168 0.000 1.143 260 R CA 1.917 58.047 56.100 0.051 0.000 0.968 260 R CB -0.883 29.500 30.300 0.139 0.000 0.863 260 R HN 0.431 nan 8.270 nan 0.000 0.444 261 D N 0.051 120.604 120.400 0.255 0.000 2.340 261 D HA -0.031 4.539 4.640 -0.116 0.000 0.220 261 D C 0.761 177.168 176.300 0.178 0.000 1.039 261 D CA 0.240 54.419 54.000 0.299 0.000 0.866 261 D CB 0.243 41.265 40.800 0.370 0.000 0.913 261 D HN 0.327 nan 8.370 nan 0.000 0.523 262 E N 0.706 121.027 120.200 0.202 0.000 2.371 262 E HA 0.051 4.332 4.350 -0.116 0.000 0.194 262 E C 0.765 177.531 176.600 0.277 0.000 1.012 262 E CA 0.108 56.668 56.400 0.265 0.000 0.860 262 E CB 0.291 30.088 29.700 0.162 0.000 0.811 262 E HN 0.092 nan 8.360 nan 0.000 0.502 263 A N 1.415 124.318 122.820 0.138 0.000 2.269 263 A HA 0.424 4.674 4.320 -0.116 0.000 0.302 263 A C -0.774 176.870 177.584 0.101 0.000 1.266 263 A CA -0.401 51.728 52.037 0.154 0.000 0.894 263 A CB -0.265 18.774 19.000 0.065 0.000 1.147 263 A HN -0.067 nan 8.150 nan 0.000 0.537 264 F N 2.359 122.321 119.950 0.020 0.000 2.411 264 F HA 0.486 4.965 4.527 -0.080 0.000 0.355 264 F C 1.255 176.866 175.800 -0.315 0.000 1.117 264 F CA 0.106 58.027 58.000 -0.133 0.000 1.139 264 F CB 1.503 40.396 39.000 -0.179 0.000 1.120 264 F HN 0.680 nan 8.300 nan 0.000 0.493 265 G N 2.690 111.381 108.800 -0.181 0.000 2.588 265 G HA2 0.392 4.283 3.960 -0.116 0.000 0.281 265 G HA3 0.392 4.283 3.960 -0.116 0.000 0.281 265 G C -0.796 173.726 174.900 -0.630 0.000 1.236 265 G CA -0.285 44.743 45.100 -0.119 0.000 0.969 265 G HN 0.657 nan 8.290 nan 0.000 0.504 266 H N -1.153 117.777 119.070 -0.234 0.000 3.008 266 H HA 0.267 4.729 4.556 -0.158 0.000 0.354 266 H C 0.085 175.344 175.328 -0.116 0.000 1.252 266 H CA -0.688 55.133 56.048 -0.377 0.000 1.117 266 H CB 2.009 31.210 29.762 -0.935 0.000 1.857 266 H HN 0.270 nan 8.280 nan 0.000 0.547 267 L N 0.476 121.742 121.223 0.071 0.000 2.168 267 L HA 0.150 4.421 4.340 -0.116 0.000 0.203 267 L C 0.461 177.418 176.870 0.145 0.000 1.078 267 L CA 1.571 56.478 54.840 0.112 0.000 0.780 267 L CB -0.165 41.936 42.059 0.070 0.000 0.939 267 L HN 0.367 nan 8.230 nan 0.000 0.451 268 K N -1.354 119.110 120.400 0.106 0.000 2.130 268 K HA 0.172 4.422 4.320 -0.116 0.000 0.268 268 K C 1.264 177.981 176.600 0.195 0.000 0.983 268 K CA 0.350 56.706 56.287 0.114 0.000 0.893 268 K CB 1.682 34.213 32.500 0.052 0.000 1.066 268 K HN -0.040 nan 8.250 nan 0.000 0.450 269 S N 0.811 116.650 115.700 0.233 0.000 2.447 269 S HA -0.127 4.274 4.470 -0.116 0.000 0.233 269 S C 1.561 176.303 174.600 0.237 0.000 1.006 269 S CA 1.603 59.993 58.200 0.317 0.000 0.957 269 S CB -0.195 63.071 63.200 0.109 0.000 0.773 269 S HN 0.621 nan 8.310 nan 0.000 0.507 270 S N -0.222 115.538 115.700 0.101 0.000 2.607 270 S HA 0.117 4.517 4.470 -0.116 0.000 0.224 270 S C 0.821 175.407 174.600 -0.023 0.000 0.969 270 S CA 0.389 58.615 58.200 0.042 0.000 0.927 270 S CB -0.192 63.020 63.200 0.020 0.000 0.772 270 S HN 0.448 nan 8.310 nan 0.000 0.533 271 D N 0.467 120.791 120.400 -0.127 0.000 2.389 271 D HA 0.249 4.820 4.640 -0.116 0.000 0.206 271 D C -0.527 175.328 176.300 -0.741 0.000 1.055 271 D CA -0.152 53.606 54.000 -0.402 0.000 0.856 271 D CB -0.145 40.370 40.800 -0.475 0.000 0.957 271 D HN 0.451 nan 8.370 nan 0.000 0.509 272 F N 1.340 121.058 119.950 -0.387 0.000 2.662 272 F HA 0.041 4.522 4.527 -0.076 0.000 0.343 272 F C 1.424 177.188 175.800 -0.061 0.000 1.302 272 F CA -0.322 57.544 58.000 -0.223 0.000 1.142 272 F CB 0.218 39.182 39.000 -0.060 0.000 1.524 272 F HN -0.163 nan 8.300 nan 0.000 0.668 273 L N 1.201 122.443 121.223 0.032 0.000 2.131 273 L HA -0.127 4.143 4.340 -0.116 0.000 0.206 273 L C 2.637 179.593 176.870 0.144 0.000 1.087 273 L CA 1.708 56.595 54.840 0.078 0.000 0.767 273 L CB -1.180 40.901 42.059 0.037 0.000 0.917 273 L HN 0.572 nan 8.230 nan 0.000 0.441 274 T N -3.376 111.289 114.554 0.186 0.000 2.699 274 T HA -0.351 3.929 4.350 -0.116 0.000 0.268 274 T C 1.958 176.774 174.700 0.192 0.000 1.036 274 T CA 1.799 64.008 62.100 0.182 0.000 1.147 274 T CB -1.022 67.962 68.868 0.194 0.000 0.862 274 T HN 0.358 nan 8.240 nan 0.000 0.446 275 Y N 2.255 122.630 120.300 0.125 0.000 2.200 275 Y HA 0.115 4.595 4.550 -0.117 0.000 0.290 275 Y C 2.713 178.643 175.900 0.050 0.000 1.137 275 Y CA 1.017 59.163 58.100 0.077 0.000 1.163 275 Y CB -0.698 37.797 38.460 0.058 0.000 0.988 275 Y HN 0.278 nan 8.280 nan 0.000 0.518 276 G N 0.464 109.436 108.800 0.287 0.000 2.421 276 G HA2 -0.255 3.636 3.960 -0.116 0.000 0.216 276 G HA3 -0.255 3.636 3.960 -0.116 0.000 0.216 276 G C 1.460 176.398 174.900 0.064 0.000 1.171 276 G CA 0.987 46.182 45.100 0.159 0.000 0.775 276 G HN 0.318 nan 8.290 nan 0.000 0.543 277 L N 1.181 122.441 121.223 0.061 0.000 2.013 277 L HA -0.074 4.197 4.340 -0.116 0.000 0.212 277 L C 2.717 179.585 176.870 -0.002 0.000 1.073 277 L CA 2.205 57.063 54.840 0.030 0.000 0.753 277 L CB -0.923 41.163 42.059 0.045 0.000 0.890 277 L HN 0.362 nan 8.230 nan 0.000 0.432 278 K N -1.416 118.966 120.400 -0.029 0.000 2.097 278 K HA -0.156 4.094 4.320 -0.116 0.000 0.206 278 K C 2.255 178.776 176.600 -0.132 0.000 1.049 278 K CA 1.558 57.786 56.287 -0.098 0.000 0.933 278 K CB -0.074 32.334 32.500 -0.153 0.000 0.717 278 K HN 0.138 nan 8.250 nan 0.000 0.442 279 S N 0.100 115.716 115.700 -0.140 0.000 2.399 279 S HA -0.080 4.320 4.470 -0.116 0.000 0.231 279 S C 1.752 176.355 174.600 0.005 0.000 1.022 279 S CA 1.058 59.209 58.200 -0.082 0.000 0.983 279 S CB -0.073 63.131 63.200 0.007 0.000 0.803 279 S HN 0.228 nan 8.310 nan 0.000 0.480 280 V N 0.335 120.262 119.914 0.022 0.000 2.358 280 V HA -0.088 3.962 4.120 -0.116 0.000 0.246 280 V C 2.481 178.602 176.094 0.045 0.000 1.047 280 V CA 1.907 64.243 62.300 0.060 0.000 1.035 280 V CB -0.685 31.167 31.823 0.049 0.000 0.658 280 V HN 0.409 nan 8.190 nan 0.000 0.452 281 S N -1.004 114.701 115.700 0.009 0.000 2.387 281 S HA -0.135 4.265 4.470 -0.116 0.000 0.226 281 S C 1.921 176.521 174.600 -0.000 0.000 1.026 281 S CA 1.160 59.360 58.200 0.001 0.000 0.972 281 S CB -0.079 63.107 63.200 -0.022 0.000 0.814 281 S HN 0.672 nan 8.310 nan 0.000 0.477 282 Q N -0.059 119.729 119.800 -0.020 0.000 2.391 282 Q HA 0.217 4.487 4.340 -0.116 0.000 0.211 282 Q C 1.130 177.127 176.000 -0.004 0.000 0.908 282 Q CA 0.439 56.227 55.803 -0.025 0.000 0.920 282 Q CB 0.141 28.842 28.738 -0.061 0.000 1.056 282 Q HN 0.487 nan 8.270 nan 0.000 0.523 283 N N -0.402 118.306 118.700 0.012 0.000 2.612 283 N HA 0.022 4.693 4.740 -0.116 0.000 0.224 283 N C 1.868 177.419 175.510 0.069 0.000 1.051 283 N CA 0.405 53.476 53.050 0.035 0.000 0.889 283 N CB 0.380 38.887 38.487 0.034 0.000 1.449 283 N HN -0.081 nan 8.380 nan 0.000 0.442 284 V N 3.099 123.073 119.914 0.100 0.000 2.223 284 V HA -0.169 3.882 4.120 -0.116 0.000 0.244 284 V C 2.596 178.777 176.094 0.145 0.000 1.045 284 V CA 1.290 63.676 62.300 0.143 0.000 1.000 284 V CB -0.646 31.322 31.823 0.242 0.000 0.635 284 V HN 0.188 nan 8.190 nan 0.000 0.445 285 L N 0.970 122.277 121.223 0.140 0.000 2.011 285 L HA -0.207 4.063 4.340 -0.116 0.000 0.225 285 L C 0.002 177.002 176.870 0.216 0.000 1.084 285 L CA 2.737 57.692 54.840 0.190 0.000 0.791 285 L CB -1.275 40.870 42.059 0.142 0.000 0.898 285 L HN 0.346 nan 8.230 nan 0.000 0.440 286 P HA -0.109 nan 4.420 nan 0.000 0.233 286 P C 1.542 178.891 177.300 0.082 0.000 1.167 286 P CA 0.871 64.021 63.100 0.084 0.000 0.770 286 P CB 0.158 31.885 31.700 0.046 0.000 0.837 287 L N -1.385 119.896 121.223 0.096 0.000 2.375 287 L HA 0.068 4.338 4.340 -0.116 0.000 0.215 287 L C 2.247 179.193 176.870 0.128 0.000 1.108 287 L CA 0.984 55.871 54.840 0.079 0.000 0.830 287 L CB -1.603 40.487 42.059 0.052 0.000 0.959 287 L HN -0.089 nan 8.230 nan 0.000 0.457 288 L N -1.009 120.340 121.223 0.211 0.000 2.068 288 L HA -0.085 4.186 4.340 -0.116 0.000 0.204 288 L C 2.513 179.628 176.870 0.409 0.000 1.076 288 L CA 1.403 56.462 54.840 0.364 0.000 0.753 288 L CB -0.800 41.533 42.059 0.457 0.000 0.910 288 L HN 0.312 nan 8.230 nan 0.000 0.439 289 Q N -1.095 118.833 119.800 0.215 0.000 2.062 289 Q HA -0.268 4.002 4.340 -0.116 0.000 0.209 289 Q C 2.389 178.374 176.000 -0.026 0.000 0.996 289 Q CA 2.368 58.046 55.803 -0.208 0.000 0.859 289 Q CB -0.111 28.483 28.738 -0.241 0.000 0.920 289 Q HN 0.423 nan 8.270 nan 0.000 0.415 290 S N -0.404 115.327 115.700 0.051 0.000 2.378 290 S HA -0.307 4.094 4.470 -0.116 0.000 0.229 290 S C 1.854 176.550 174.600 0.159 0.000 1.052 290 S CA 1.435 59.687 58.200 0.087 0.000 1.084 290 S CB -0.484 62.763 63.200 0.078 0.000 0.950 290 S HN 0.608 nan 8.310 nan 0.000 0.440 291 A N -0.246 122.684 122.820 0.184 0.000 1.978 291 A HA -0.054 4.196 4.320 -0.116 0.000 0.220 291 A C 1.875 179.500 177.584 0.069 0.000 1.170 291 A CA 1.488 53.638 52.037 0.188 0.000 0.636 291 A CB -0.754 18.307 19.000 0.102 0.000 0.810 291 A HN 0.535 nan 8.150 nan 0.000 0.448 292 F N 0.132 120.088 119.950 0.010 0.000 2.187 292 F HA -0.056 4.401 4.527 -0.116 0.000 0.295 292 F C 2.144 177.887 175.800 -0.095 0.000 1.091 292 F CA 1.508 59.472 58.000 -0.060 0.000 1.308 292 F CB -0.120 38.788 39.000 -0.154 0.000 1.030 292 F HN 0.178 nan 8.300 nan 0.000 0.487 293 D N 0.386 120.829 120.400 0.072 0.000 2.085 293 D HA -0.006 4.564 4.640 -0.116 0.000 0.199 293 D C 0.909 177.184 176.300 -0.042 0.000 0.981 293 D CA 0.837 54.832 54.000 -0.009 0.000 0.834 293 D CB -0.532 40.247 40.800 -0.035 0.000 0.992 293 D HN 0.064 nan 8.370 nan 0.000 0.457 294 L N 1.116 122.322 121.223 -0.029 0.000 2.464 294 L HA 0.173 4.443 4.340 -0.116 0.000 0.264 294 L C 0.782 177.472 176.870 -0.301 0.000 1.199 294 L CA -0.158 54.601 54.840 -0.136 0.000 0.818 294 L CB 0.265 42.323 42.059 -0.002 0.000 1.102 294 L HN -0.160 nan 8.230 nan 0.000 0.473 295 N N 0.930 119.301 118.700 -0.549 0.000 3.271 295 N HA 0.165 4.836 4.740 -0.116 0.000 0.303 295 N C 0.108 175.332 175.510 -0.476 0.000 1.415 295 N CA 0.039 52.842 53.050 -0.412 0.000 1.159 295 N CB 0.360 38.683 38.487 -0.273 0.000 1.432 295 N HN 0.511 nan 8.380 nan 0.000 0.521 296 F N -0.223 119.656 119.950 -0.117 0.000 2.754 296 F HA 0.152 4.609 4.527 -0.116 0.000 0.297 296 F C 0.909 176.605 175.800 -0.173 0.000 1.122 296 F CA 0.419 58.347 58.000 -0.120 0.000 1.400 296 F CB 0.584 39.526 39.000 -0.097 0.000 1.117 296 F HN -0.155 nan 8.300 nan 0.000 0.587 297 T N 0.155 114.617 114.554 -0.153 0.000 2.956 297 T HA 0.334 4.614 4.350 -0.116 0.000 0.312 297 T C -2.733 171.750 174.700 -0.361 0.000 1.151 297 T CA -1.499 60.426 62.100 -0.293 0.000 1.024 297 T CB 2.252 70.818 68.868 -0.503 0.000 1.140 297 T HN -0.417 nan 8.240 nan 0.000 0.473 298 P HA 0.202 nan 4.420 nan 0.000 0.265 298 P C 0.751 177.968 177.300 -0.137 0.000 1.193 298 P CA -0.171 62.837 63.100 -0.153 0.000 0.765 298 P CB 0.705 32.361 31.700 -0.073 0.000 0.823 299 R N 1.700 122.205 120.500 0.009 0.000 2.103 299 R HA -0.137 4.133 4.340 -0.116 0.000 0.242 299 R C 0.350 176.745 176.300 0.159 0.000 1.142 299 R CA 1.603 57.825 56.100 0.203 0.000 0.960 299 R CB 0.197 30.560 30.300 0.105 0.000 0.858 299 R HN 0.586 nan 8.270 nan 0.000 0.439 300 E N -1.640 118.583 120.200 0.040 0.000 2.336 300 E HA 0.257 4.538 4.350 -0.116 0.000 0.267 300 E C -1.354 175.247 176.600 0.001 0.000 0.906 300 E CA -0.934 55.460 56.400 -0.010 0.000 0.781 300 E CB 1.374 31.097 29.700 0.038 0.000 1.261 300 E HN -0.090 nan 8.360 nan 0.000 0.436 301 F N 1.511 121.509 119.950 0.081 0.000 2.443 301 F HA 0.127 4.584 4.527 -0.117 0.000 0.353 301 F C 1.202 177.045 175.800 0.072 0.000 1.101 301 F CA 0.041 58.081 58.000 0.066 0.000 1.226 301 F CB 0.632 39.668 39.000 0.059 0.000 1.140 301 F HN 0.433 nan 8.300 nan 0.000 0.557 302 D N -0.108 120.451 120.400 0.264 0.000 2.449 302 D HA 0.065 4.635 4.640 -0.116 0.000 0.210 302 D C 0.038 176.418 176.300 0.133 0.000 1.094 302 D CA 0.562 54.658 54.000 0.161 0.000 0.846 302 D CB 0.557 41.421 40.800 0.106 0.000 1.003 302 D HN 0.416 nan 8.370 nan 0.000 0.504 303 S N -1.022 114.772 115.700 0.157 0.000 2.547 303 S HA 0.265 4.665 4.470 -0.116 0.000 0.270 303 S C 0.195 174.913 174.600 0.197 0.000 1.150 303 S CA -0.658 57.611 58.200 0.116 0.000 0.850 303 S CB 0.625 63.869 63.200 0.073 0.000 1.118 303 S HN -0.253 nan 8.310 nan 0.000 0.461 304 F N 1.644 121.580 119.950 -0.022 0.000 2.202 304 F HA -0.020 4.438 4.527 -0.115 0.000 0.301 304 F C 1.938 177.696 175.800 -0.070 0.000 1.082 304 F CA 1.148 59.098 58.000 -0.084 0.000 1.313 304 F CB -1.088 37.934 39.000 0.037 0.000 1.024 304 F HN 0.629 nan 8.300 nan 0.000 0.495 305 D N 0.036 120.578 120.400 0.238 0.000 2.144 305 D HA -0.149 4.422 4.640 -0.116 0.000 0.199 305 D C 2.134 178.482 176.300 0.081 0.000 0.984 305 D CA 1.044 55.162 54.000 0.197 0.000 0.834 305 D CB -0.312 40.577 40.800 0.148 0.000 0.955 305 D HN 0.377 nan 8.370 nan 0.000 0.465 306 E N 0.029 120.258 120.200 0.048 0.000 2.204 306 E HA -0.095 4.186 4.350 -0.116 0.000 0.195 306 E C 2.114 178.629 176.600 -0.142 0.000 0.990 306 E CA 0.339 56.763 56.400 0.040 0.000 0.821 306 E CB 0.249 30.050 29.700 0.168 0.000 0.750 306 E HN 0.137 nan 8.360 nan 0.000 0.477 307 V N 1.122 120.747 119.914 -0.482 0.000 2.379 307 V HA -0.202 3.848 4.120 -0.116 0.000 0.245 307 V C 2.016 177.720 176.094 -0.650 0.000 1.044 307 V CA 1.528 63.304 62.300 -0.873 0.000 1.036 307 V CB -0.480 30.708 31.823 -1.058 0.000 0.664 307 V HN 0.326 nan 8.190 nan 0.000 0.453 308 H N 0.488 119.406 119.070 -0.254 0.000 2.456 308 H HA -0.056 4.430 4.556 -0.117 0.000 0.296 308 H C 2.397 177.568 175.328 -0.262 0.000 1.079 308 H CA 1.207 57.165 56.048 -0.150 0.000 1.322 308 H CB -0.666 29.138 29.762 0.069 0.000 1.388 308 H HN 0.482 nan 8.280 nan 0.000 0.538 309 G N 0.975 109.717 108.800 -0.096 0.000 2.499 309 G HA2 -0.211 3.680 3.960 -0.116 0.000 0.221 309 G HA3 -0.211 3.680 3.960 -0.116 0.000 0.221 309 G C 1.788 176.614 174.900 -0.124 0.000 1.109 309 G CA 0.454 45.518 45.100 -0.060 0.000 0.749 309 G HN 0.335 nan 8.290 nan 0.000 0.568 310 L N -1.206 119.799 121.223 -0.363 0.000 2.217 310 L HA 0.011 4.282 4.340 -0.116 0.000 0.211 310 L C 2.196 179.022 176.870 -0.074 0.000 1.107 310 L CA 0.712 55.419 54.840 -0.222 0.000 0.783 310 L CB -0.289 41.551 42.059 -0.365 0.000 0.919 310 L HN 0.346 nan 8.230 nan 0.000 0.442 311 Y N -1.984 118.450 120.300 0.223 0.000 2.478 311 Y HA 0.082 4.562 4.550 -0.115 0.000 0.261 311 Y C 2.408 178.398 175.900 0.150 0.000 1.127 311 Y CA 0.126 58.353 58.100 0.212 0.000 1.288 311 Y CB 0.166 38.732 38.460 0.177 0.000 1.084 311 Y HN 0.122 nan 8.280 nan 0.000 0.530 312 S N 0.126 115.933 115.700 0.180 0.000 2.965 312 S HA 0.199 4.599 4.470 -0.116 0.000 0.165 312 S C 2.127 176.781 174.600 0.090 0.000 0.735 312 S CA 0.516 58.794 58.200 0.130 0.000 0.985 312 S CB -0.630 62.633 63.200 0.106 0.000 0.675 312 S HN 0.272 nan 8.310 nan 0.000 0.592 313 G N 0.206 109.044 108.800 0.063 0.000 2.471 313 G HA2 0.393 4.284 3.960 -0.116 0.000 0.219 313 G HA3 0.393 4.284 3.960 -0.116 0.000 0.219 313 G C 1.104 176.029 174.900 0.042 0.000 1.125 313 G CA 0.595 45.722 45.100 0.046 0.000 0.775 313 G HN 1.478 nan 8.290 nan 0.000 0.548 314 G N -0.349 108.484 108.800 0.056 0.000 2.752 314 G HA2 -0.255 3.635 3.960 -0.116 0.000 0.234 314 G HA3 -0.255 3.635 3.960 -0.116 0.000 0.234 314 G C -0.028 174.906 174.900 0.058 0.000 1.367 314 G CA -0.135 45.008 45.100 0.071 0.000 0.879 314 G HN 0.893 nan 8.290 nan 0.000 0.563 315 I N 0.718 121.325 120.570 0.062 0.000 2.352 315 I HA 0.430 4.531 4.170 -0.116 0.000 0.290 315 I C 0.930 177.041 176.117 -0.010 0.000 1.036 315 I CA -0.725 60.600 61.300 0.042 0.000 1.336 315 I CB 0.436 38.487 38.000 0.084 0.000 1.407 315 I HN 0.673 nan 8.210 nan 0.000 0.497 316 K N 7.477 127.871 120.400 -0.010 0.000 2.416 316 K HA 0.234 4.485 4.320 -0.116 0.000 0.283 316 K C -1.644 174.932 176.600 -0.039 0.000 1.037 316 K CA -0.104 56.169 56.287 -0.023 0.000 0.995 316 K CB 0.578 33.072 32.500 -0.011 0.000 0.938 316 K HN 0.549 nan 8.250 nan 0.000 0.475 317 L N 6.952 128.143 121.223 -0.052 0.000 2.455 317 L HA 0.454 4.724 4.340 -0.116 0.000 0.264 317 L C -2.473 174.340 176.870 -0.096 0.000 0.968 317 L CA -2.279 52.518 54.840 -0.071 0.000 0.827 317 L CB 2.112 44.120 42.059 -0.085 0.000 1.317 317 L HN 0.656 nan 8.230 nan 0.000 0.407 318 P HA 0.014 nan 4.420 nan 0.000 0.265 318 P C 0.691 177.886 177.300 -0.175 0.000 1.187 318 P CA 0.181 63.143 63.100 -0.230 0.000 0.766 318 P CB 0.355 31.751 31.700 -0.506 0.000 0.820 319 T N -0.289 114.179 114.554 -0.143 0.000 2.788 319 T HA -0.188 4.092 4.350 -0.116 0.000 0.268 319 T C 1.228 175.867 174.700 -0.101 0.000 1.044 319 T CA 1.702 63.741 62.100 -0.102 0.000 1.139 319 T CB -0.804 68.020 68.868 -0.073 0.000 0.867 319 T HN 0.474 nan 8.240 nan 0.000 0.454 320 D N 0.805 121.131 120.400 -0.123 0.000 2.224 320 D HA -0.044 4.526 4.640 -0.116 0.000 0.205 320 D C 2.190 178.432 176.300 -0.097 0.000 0.965 320 D CA 0.549 54.488 54.000 -0.102 0.000 0.852 320 D CB -0.540 40.195 40.800 -0.108 0.000 0.947 320 D HN 0.502 nan 8.370 nan 0.000 0.494 321 I N 0.024 120.518 120.570 -0.127 0.000 2.353 321 I HA -0.192 3.908 4.170 -0.116 0.000 0.248 321 I C 2.248 178.318 176.117 -0.079 0.000 1.119 321 I CA 0.353 61.593 61.300 -0.099 0.000 1.417 321 I CB 0.077 38.004 38.000 -0.121 0.000 1.078 321 I HN -0.079 nan 8.210 nan 0.000 0.421 322 I N 0.431 120.947 120.570 -0.091 0.000 2.439 322 I HA -0.196 3.904 4.170 -0.116 0.000 0.251 322 I C 2.568 178.650 176.117 -0.058 0.000 1.139 322 I CA 1.415 62.663 61.300 -0.086 0.000 1.438 322 I CB -0.793 37.153 38.000 -0.091 0.000 1.085 322 I HN 0.119 nan 8.210 nan 0.000 0.427 323 S N 0.338 116.007 115.700 -0.052 0.000 2.423 323 S HA -0.140 4.261 4.470 -0.116 0.000 0.231 323 S C 1.848 176.436 174.600 -0.020 0.000 1.014 323 S CA 1.000 59.180 58.200 -0.033 0.000 0.965 323 S CB -0.088 63.090 63.200 -0.036 0.000 0.785 323 S HN 0.462 nan 8.310 nan 0.000 0.495 324 K N 1.061 121.447 120.400 -0.022 0.000 2.314 324 K HA 0.213 4.463 4.320 -0.116 0.000 0.198 324 K C 1.878 178.486 176.600 0.014 0.000 1.045 324 K CA 0.637 56.922 56.287 -0.003 0.000 0.988 324 K CB -0.049 32.447 32.500 -0.006 0.000 0.783 324 K HN 0.516 nan 8.250 nan 0.000 0.484 325 I N -1.729 118.843 120.570 0.003 0.000 3.860 325 I HA 0.028 4.129 4.170 -0.116 0.000 0.319 325 I C 1.987 178.143 176.117 0.065 0.000 1.279 325 I CA 0.491 61.813 61.300 0.037 0.000 1.220 325 I CB 0.045 38.052 38.000 0.012 0.000 1.027 325 I HN -0.046 nan 8.210 nan 0.000 0.428 326 S N 3.074 118.792 115.700 0.031 0.000 2.377 326 S HA 0.134 4.534 4.470 -0.116 0.000 0.223 326 S C 0.013 174.644 174.600 0.053 0.000 1.030 326 S CA 0.606 58.832 58.200 0.043 0.000 0.970 326 S CB -1.607 61.599 63.200 0.010 0.000 0.830 326 S HN 0.432 nan 8.310 nan 0.000 0.473 327 P HA 0.252 nan 4.420 nan 0.000 0.253 327 P C -0.201 177.130 177.300 0.052 0.000 1.260 327 P CA 0.018 63.141 63.100 0.038 0.000 0.800 327 P CB -0.249 31.467 31.700 0.027 0.000 1.162 328 L N 1.857 123.126 121.223 0.076 0.000 2.456 328 L HA 0.094 4.364 4.340 -0.116 0.000 0.277 328 L C -0.788 176.139 176.870 0.094 0.000 1.124 328 L CA -1.505 53.397 54.840 0.105 0.000 0.880 328 L CB -0.049 42.090 42.059 0.133 0.000 1.192 328 L HN -0.134 nan 8.230 nan 0.000 0.463 329 P HA -0.285 nan 4.420 nan 0.000 0.214 329 P C 1.659 178.978 177.300 0.031 0.000 1.099 329 P CA 1.325 64.429 63.100 0.006 0.000 0.976 329 P CB 0.170 31.797 31.700 -0.121 0.000 0.774 330 V N -1.603 118.349 119.914 0.064 0.000 2.379 330 V HA -0.159 3.891 4.120 -0.116 0.000 0.245 330 V C 2.490 178.607 176.094 0.037 0.000 1.044 330 V CA 1.455 63.795 62.300 0.067 0.000 1.036 330 V CB -1.209 30.685 31.823 0.118 0.000 0.664 330 V HN -0.020 nan 8.190 nan 0.000 0.453 331 L N 0.084 121.336 121.223 0.048 0.000 2.549 331 L HA -0.069 4.201 4.340 -0.116 0.000 0.229 331 L C 2.215 179.099 176.870 0.024 0.000 1.158 331 L CA 1.292 56.131 54.840 -0.002 0.000 0.842 331 L CB -0.819 41.280 42.059 0.066 0.000 0.952 331 L HN 0.251 nan 8.230 nan 0.000 0.452 332 K N 0.698 121.125 120.400 0.046 0.000 2.152 332 K HA -0.246 4.004 4.320 -0.116 0.000 0.206 332 K C 2.050 178.663 176.600 0.021 0.000 1.048 332 K CA 1.575 57.890 56.287 0.048 0.000 0.933 332 K CB 0.067 32.590 32.500 0.038 0.000 0.721 332 K HN 0.362 nan 8.250 nan 0.000 0.447 333 E N -0.102 120.094 120.200 -0.008 0.000 2.385 333 E HA -0.036 4.244 4.350 -0.116 0.000 0.194 333 E C 1.578 178.142 176.600 -0.061 0.000 1.013 333 E CA 0.542 56.928 56.400 -0.022 0.000 0.866 333 E CB -0.048 29.643 29.700 -0.015 0.000 0.832 333 E HN 0.434 nan 8.360 nan 0.000 0.500 334 I N -0.612 119.887 120.570 -0.118 0.000 3.172 334 I HA 0.213 4.314 4.170 -0.116 0.000 0.278 334 I C -0.537 175.448 176.117 -0.220 0.000 1.174 334 I CA 0.366 61.533 61.300 -0.222 0.000 1.445 334 I CB -0.058 37.747 38.000 -0.326 0.000 1.175 334 I HN -0.140 nan 8.210 nan 0.000 0.447 335 F N 3.690 123.585 119.950 -0.092 0.000 2.420 335 F HA 0.539 5.000 4.527 -0.110 0.000 0.342 335 F C 0.398 176.126 175.800 -0.119 0.000 1.113 335 F CA -0.848 57.053 58.000 -0.164 0.000 1.059 335 F CB 0.975 39.885 39.000 -0.149 0.000 1.128 335 F HN -0.039 nan 8.300 nan 0.000 0.475 336 R N 1.324 121.876 120.500 0.087 0.000 2.460 336 R HA 0.764 5.035 4.340 -0.116 0.000 0.303 336 R C -0.927 175.370 176.300 -0.004 0.000 0.968 336 R CA -0.822 55.298 56.100 0.033 0.000 0.889 336 R CB 1.675 31.993 30.300 0.030 0.000 1.123 336 R HN 0.489 nan 8.270 nan 0.000 0.455 337 T N 0.887 115.441 114.554 -0.000 0.000 2.879 337 T HA 0.045 4.325 4.350 -0.116 0.000 0.290 337 T C 0.196 174.890 174.700 -0.009 0.000 0.993 337 T CA -0.622 61.466 62.100 -0.019 0.000 0.975 337 T CB 1.855 70.709 68.868 -0.023 0.000 0.981 337 T HN 0.726 nan 8.240 nan 0.000 0.439 338 D N 2.329 122.722 120.400 -0.013 0.000 2.149 338 D HA 0.144 4.715 4.640 -0.116 0.000 0.201 338 D C 1.602 177.898 176.300 -0.005 0.000 0.972 338 D CA 1.745 55.742 54.000 -0.004 0.000 0.835 338 D CB 0.144 40.942 40.800 -0.005 0.000 0.966 338 D HN 0.770 nan 8.370 nan 0.000 0.476 339 G N -1.116 107.677 108.800 -0.012 0.000 4.205 339 G HA2 -0.116 3.774 3.960 -0.116 0.000 0.200 339 G HA3 -0.116 3.774 3.960 -0.116 0.000 0.200 339 G C 0.765 175.654 174.900 -0.019 0.000 1.190 339 G CA 0.238 45.331 45.100 -0.012 0.000 0.861 339 G HN 0.251 nan 8.290 nan 0.000 0.326 340 E N 0.032 120.219 120.200 -0.023 0.000 3.722 340 E HA 0.377 4.658 4.350 -0.116 0.000 0.276 340 E C 0.754 177.329 176.600 -0.042 0.000 0.942 340 E CA -0.225 56.157 56.400 -0.031 0.000 1.088 340 E CB 0.211 29.895 29.700 -0.027 0.000 2.828 340 E HN 0.122 nan 8.360 nan 0.000 0.539 341 Q N 0.565 120.341 119.800 -0.040 0.000 2.336 341 Q HA 0.271 4.542 4.340 -0.116 0.000 0.231 341 Q C -0.969 175.002 176.000 -0.048 0.000 0.900 341 Q CA 0.113 55.888 55.803 -0.047 0.000 0.966 341 Q CB 0.216 28.933 28.738 -0.036 0.000 1.219 341 Q HN 0.130 nan 8.270 nan 0.000 0.412 342 A N 1.448 124.234 122.820 -0.057 0.000 2.375 342 A HA 0.487 4.737 4.320 -0.116 0.000 0.295 342 A C -1.119 176.405 177.584 -0.099 0.000 1.066 342 A CA -0.618 51.386 52.037 -0.056 0.000 0.722 342 A CB 1.394 20.377 19.000 -0.028 0.000 1.206 342 A HN 0.324 nan 8.150 nan 0.000 0.435 343 L N 3.483 124.623 121.223 -0.137 0.000 2.294 343 L HA 0.503 4.773 4.340 -0.116 0.000 0.283 343 L C -0.656 176.067 176.870 -0.244 0.000 1.015 343 L CA -0.115 54.559 54.840 -0.276 0.000 0.831 343 L CB 1.017 42.851 42.059 -0.375 0.000 1.217 343 L HN 0.812 nan 8.230 nan 0.000 0.420 344 K N 4.597 124.865 120.400 -0.220 0.000 2.185 344 K HA 0.611 4.861 4.320 -0.116 0.000 0.240 344 K C -1.339 175.141 176.600 -0.201 0.000 0.983 344 K CA -0.639 55.597 56.287 -0.085 0.000 0.873 344 K CB 2.013 34.533 32.500 0.033 0.000 1.118 344 K HN 0.235 nan 8.250 nan 0.000 0.441 345 F N 1.059 121.174 119.950 0.276 0.000 2.563 345 F HA 0.330 4.786 4.527 -0.118 0.000 0.316 345 F C -2.097 173.910 175.800 0.344 0.000 1.076 345 F CA -2.392 55.825 58.000 0.362 0.000 0.921 345 F CB 1.709 41.021 39.000 0.521 0.000 1.209 345 F HN 0.312 nan 8.300 nan 0.000 0.462 346 P HA 0.137 nan 4.420 nan 0.000 0.271 346 P C -2.731 174.750 177.300 0.301 0.000 1.216 346 P CA -1.428 61.818 63.100 0.244 0.000 0.776 346 P CB 0.043 31.778 31.700 0.057 0.000 0.881 347 P HA 0.160 nan 4.420 nan 0.000 0.267 347 P C -2.315 174.910 177.300 -0.126 0.000 1.209 347 P CA -1.086 61.907 63.100 -0.179 0.000 0.763 347 P CB -0.989 30.678 31.700 -0.055 0.000 0.816 348 P HA 0.164 nan 4.420 nan 0.000 0.274 348 P C 0.944 178.107 177.300 -0.229 0.000 1.237 348 P CA -0.297 62.685 63.100 -0.197 0.000 0.793 348 P CB 0.965 32.345 31.700 -0.534 0.000 0.977 349 K N 0.658 120.908 120.400 -0.250 0.000 2.148 349 K HA -0.058 4.193 4.320 -0.116 0.000 0.204 349 K C 1.730 178.137 176.600 -0.322 0.000 1.050 349 K CA 0.783 56.893 56.287 -0.296 0.000 0.942 349 K CB -0.515 31.730 32.500 -0.424 0.000 0.724 349 K HN 0.111 nan 8.250 nan 0.000 0.446 350 V N 2.274 121.954 119.914 -0.390 0.000 2.527 350 V HA -0.240 3.811 4.120 -0.116 0.000 0.255 350 V C 1.855 177.882 176.094 -0.111 0.000 1.081 350 V CA 2.077 64.235 62.300 -0.237 0.000 1.092 350 V CB -0.300 31.409 31.823 -0.191 0.000 0.673 350 V HN 0.389 nan 8.190 nan 0.000 0.470 351 I N -4.405 116.081 120.570 -0.139 0.000 4.082 351 I HA 0.166 4.267 4.170 -0.116 0.000 0.337 351 I C 1.878 177.953 176.117 -0.070 0.000 1.352 351 I CA 0.422 61.683 61.300 -0.065 0.000 1.097 351 I CB -0.131 37.842 38.000 -0.045 0.000 1.048 351 I HN 0.099 nan 8.210 nan 0.000 0.393 352 Q N 0.989 120.734 119.800 -0.091 0.000 2.226 352 Q HA -0.076 4.195 4.340 -0.116 0.000 0.204 352 Q C 2.132 178.109 176.000 -0.038 0.000 0.975 352 Q CA 1.503 57.268 55.803 -0.062 0.000 0.866 352 Q CB 0.269 28.968 28.738 -0.065 0.000 0.915 352 Q HN 0.561 nan 8.270 nan 0.000 0.440 353 V N -1.151 118.743 119.914 -0.034 0.000 2.581 353 V HA 0.047 4.098 4.120 -0.116 0.000 0.240 353 V C 0.496 176.583 176.094 -0.012 0.000 1.054 353 V CA 0.763 63.053 62.300 -0.017 0.000 1.076 353 V CB 1.328 33.145 31.823 -0.010 0.000 0.748 353 V HN 0.094 nan 8.190 nan 0.000 0.474 354 S N -0.945 114.752 115.700 -0.005 0.000 2.614 354 S HA 0.413 4.813 4.470 -0.116 0.000 0.288 354 S C 0.063 174.681 174.600 0.030 0.000 1.137 354 S CA -0.648 57.554 58.200 0.005 0.000 0.992 354 S CB 1.805 65.013 63.200 0.013 0.000 1.026 354 S HN 0.195 nan 8.310 nan 0.000 0.486 355 K N 1.991 122.396 120.400 0.008 0.000 2.418 355 K HA 0.125 4.375 4.320 -0.116 0.000 0.195 355 K C 1.440 178.175 176.600 0.224 0.000 1.035 355 K CA 0.966 57.271 56.287 0.030 0.000 1.003 355 K CB 0.279 32.655 32.500 -0.207 0.000 0.793 355 K HN 0.640 nan 8.250 nan 0.000 0.494 356 S N -1.957 113.807 115.700 0.107 0.000 2.733 356 S HA 0.293 4.694 4.470 -0.116 0.000 0.247 356 S C 1.541 176.010 174.600 -0.219 0.000 1.043 356 S CA -0.054 58.123 58.200 -0.038 0.000 1.066 356 S CB 0.800 63.970 63.200 -0.051 0.000 1.045 356 S HN 0.096 nan 8.310 nan 0.000 0.586 357 A N 1.962 124.758 122.820 -0.039 0.000 2.167 357 A HA 0.145 4.395 4.320 -0.116 0.000 0.214 357 A C 1.827 179.405 177.584 -0.011 0.000 1.151 357 A CA 0.695 52.706 52.037 -0.043 0.000 0.735 357 A CB -1.173 17.840 19.000 0.022 0.000 0.802 357 A HN 0.924 nan 8.150 nan 0.000 0.467 358 W N -0.912 120.398 121.300 0.017 0.000 2.392 358 W HA -0.139 4.452 4.660 -0.115 0.000 0.279 358 W C 1.364 177.897 176.519 0.024 0.000 1.225 358 W CA 1.052 58.412 57.345 0.024 0.000 1.233 358 W CB -0.914 28.542 29.460 -0.007 0.000 1.122 358 W HN 0.255 nan 8.180 nan 0.000 0.561 359 M N 1.776 120.849 119.600 -0.879 0.000 2.460 359 M HA -0.053 4.357 4.480 -0.116 0.000 0.263 359 M C 1.096 177.195 176.300 -0.334 0.000 1.071 359 M CA 1.509 56.252 55.300 -0.929 0.000 1.096 359 M CB -0.546 31.423 32.600 -1.051 0.000 1.408 359 M HN -0.080 nan 8.290 nan 0.000 0.463 360 T N -2.421 112.038 114.554 -0.158 0.000 2.860 360 T HA 0.049 4.329 4.350 -0.116 0.000 0.299 360 T C 0.605 175.360 174.700 0.091 0.000 1.045 360 T CA -0.640 61.447 62.100 -0.020 0.000 1.071 360 T CB 1.124 69.998 68.868 0.009 0.000 0.985 360 T HN 0.039 nan 8.240 nan 0.000 0.537 361 D N 0.252 120.742 120.400 0.150 0.000 2.183 361 D HA -0.070 4.501 4.640 -0.116 0.000 0.203 361 D C 2.003 178.471 176.300 0.280 0.000 0.969 361 D CA 1.331 55.495 54.000 0.274 0.000 0.842 361 D CB -0.134 40.840 40.800 0.290 0.000 0.957 361 D HN 0.959 nan 8.370 nan 0.000 0.484 362 E N 0.843 121.146 120.200 0.171 0.000 2.106 362 E HA -0.204 4.076 4.350 -0.116 0.000 0.192 362 E C 1.830 178.499 176.600 0.115 0.000 0.984 362 E CA 1.131 57.604 56.400 0.123 0.000 0.806 362 E CB -0.010 29.736 29.700 0.077 0.000 0.750 362 E HN 0.009 nan 8.360 nan 0.000 0.458 363 E N 0.108 120.389 120.200 0.136 0.000 2.107 363 E HA -0.149 4.132 4.350 -0.116 0.000 0.191 363 E C 1.642 178.340 176.600 0.163 0.000 0.982 363 E CA 1.041 57.523 56.400 0.136 0.000 0.809 363 E CB -0.525 29.267 29.700 0.153 0.000 0.756 363 E HN 0.418 nan 8.360 nan 0.000 0.459 364 F N 0.886 120.867 119.950 0.053 0.000 2.120 364 F HA -0.185 4.273 4.527 -0.115 0.000 0.300 364 F C 1.988 177.795 175.800 0.012 0.000 1.095 364 F CA 1.953 59.976 58.000 0.038 0.000 1.249 364 F CB -0.748 38.278 39.000 0.043 0.000 0.995 364 F HN 0.122 nan 8.300 nan 0.000 0.480 365 A N 0.456 123.255 122.820 -0.035 0.000 1.897 365 A HA -0.127 4.123 4.320 -0.116 0.000 0.215 365 A C 2.438 179.906 177.584 -0.194 0.000 1.181 365 A CA 1.390 53.322 52.037 -0.175 0.000 0.620 365 A CB -0.784 18.217 19.000 0.000 0.000 0.821 365 A HN 0.464 nan 8.150 nan 0.000 0.443 366 R N 0.117 120.555 120.500 -0.103 0.000 2.090 366 R HA -0.083 4.187 4.340 -0.116 0.000 0.228 366 R C 1.547 177.762 176.300 -0.142 0.000 1.110 366 R CA 1.460 57.499 56.100 -0.101 0.000 0.973 366 R CB -0.286 30.002 30.300 -0.021 0.000 0.869 366 R HN 0.618 nan 8.270 nan 0.000 0.440 367 E N 0.170 120.271 120.200 -0.165 0.000 2.401 367 E HA -0.164 4.117 4.350 -0.116 0.000 0.199 367 E C 1.750 178.175 176.600 -0.291 0.000 1.023 367 E CA 1.044 57.280 56.400 -0.274 0.000 0.859 367 E CB 0.002 29.512 29.700 -0.317 0.000 0.780 367 E HN 0.478 nan 8.360 nan 0.000 0.523 368 M N -0.297 119.128 119.600 -0.293 0.000 2.447 368 M HA -0.023 4.388 4.480 -0.116 0.000 0.264 368 M C 1.814 177.943 176.300 -0.284 0.000 1.095 368 M CA 0.862 55.992 55.300 -0.283 0.000 1.125 368 M CB 0.197 32.611 32.600 -0.310 0.000 1.389 368 M HN 0.106 nan 8.290 nan 0.000 0.459 369 L N -0.837 120.203 121.223 -0.305 0.000 2.354 369 L HA 0.198 4.468 4.340 -0.116 0.000 0.212 369 L C 1.403 178.234 176.870 -0.065 0.000 1.091 369 L CA 0.220 54.863 54.840 -0.328 0.000 0.828 369 L CB 0.005 41.842 42.059 -0.370 0.000 0.973 369 L HN 0.201 nan 8.230 nan 0.000 0.461 370 A N -0.335 122.402 122.820 -0.139 0.000 2.579 370 A HA 0.589 4.839 4.320 -0.116 0.000 0.254 370 A C 0.342 177.939 177.584 0.023 0.000 0.873 370 A CA 0.107 52.040 52.037 -0.173 0.000 1.106 370 A CB -0.274 18.586 19.000 -0.232 0.000 1.222 370 A HN 0.221 nan 8.150 nan 0.000 0.470 371 G N -1.300 107.397 108.800 -0.172 0.000 2.990 371 G HA2 0.432 4.322 3.960 -0.116 0.000 0.208 371 G HA3 0.432 4.322 3.960 -0.116 0.000 0.208 371 G C 0.909 175.681 174.900 -0.213 0.000 1.334 371 G CA 0.429 45.200 45.100 -0.549 0.000 1.024 371 G HN 0.399 nan 8.290 nan 0.000 0.574 372 V N -0.068 119.645 119.914 -0.335 0.000 2.568 372 V HA -0.051 4.000 4.120 -0.116 0.000 0.253 372 V C 0.776 176.695 176.094 -0.291 0.000 1.072 372 V CA 2.089 64.264 62.300 -0.207 0.000 1.084 372 V CB -0.366 31.261 31.823 -0.326 0.000 0.676 372 V HN 0.562 nan 8.190 nan 0.000 0.469 373 N N 0.089 118.645 118.700 -0.240 0.000 2.762 373 N HA 0.338 5.008 4.740 -0.116 0.000 0.252 373 N C -2.693 172.756 175.510 -0.101 0.000 1.269 373 N CA -1.386 51.626 53.050 -0.064 0.000 0.799 373 N CB 1.636 40.137 38.487 0.023 0.000 1.173 373 N HN 0.157 nan 8.380 nan 0.000 0.516 374 P HA 0.336 nan 4.420 nan 0.000 0.253 374 P C -0.701 176.535 177.300 -0.107 0.000 1.863 374 P CA 0.112 63.112 63.100 -0.166 0.000 1.145 374 P CB -0.122 31.457 31.700 -0.202 0.000 1.666 375 N N -0.810 117.860 118.700 -0.051 0.000 2.082 375 N HA 0.146 4.817 4.740 -0.116 0.000 0.228 375 N C 0.704 176.269 175.510 0.092 0.000 1.341 375 N CA -0.118 52.954 53.050 0.037 0.000 0.873 375 N CB 0.501 38.989 38.487 0.001 0.000 1.137 375 N HN -0.091 nan 8.380 nan 0.000 0.505 376 L N 0.815 122.055 121.223 0.029 0.000 2.467 376 L HA 0.423 4.693 4.340 -0.116 0.000 0.213 376 L C 0.479 177.319 176.870 -0.049 0.000 1.053 376 L CA 0.127 54.942 54.840 -0.042 0.000 0.847 376 L CB 0.025 42.002 42.059 -0.137 0.000 1.075 376 L HN 0.132 nan 8.230 nan 0.000 0.479 377 I N 1.413 121.955 120.570 -0.047 0.000 2.919 377 I HA -0.091 4.010 4.170 -0.116 0.000 0.303 377 I C 0.195 176.348 176.117 0.059 0.000 1.221 377 I CA 0.820 62.101 61.300 -0.033 0.000 1.444 377 I CB 0.077 37.998 38.000 -0.132 0.000 1.331 377 I HN 0.207 nan 8.210 nan 0.000 0.572 378 R N 5.781 126.339 120.500 0.098 0.000 2.803 378 R HA 0.489 4.760 4.340 -0.116 0.000 0.276 378 R C -1.074 175.344 176.300 0.197 0.000 0.978 378 R CA -0.966 55.209 56.100 0.126 0.000 0.939 378 R CB 1.101 31.433 30.300 0.053 0.000 1.179 378 R HN 0.619 nan 8.270 nan 0.000 0.472 379 C N 2.829 122.217 119.300 0.146 0.000 2.629 379 C HA 0.236 4.627 4.460 -0.116 0.000 0.410 379 C C 0.350 175.273 174.990 -0.112 0.000 1.339 379 C CA -0.409 58.544 59.018 -0.107 0.000 1.810 379 C CB -0.656 27.017 27.740 -0.111 0.000 2.549 379 C HN 0.634 nan 8.230 nan 0.000 0.589 380 L N 7.065 128.177 121.223 -0.184 0.000 2.281 380 L HA 0.377 4.648 4.340 -0.116 0.000 0.285 380 L C 0.686 177.509 176.870 -0.077 0.000 1.074 380 L CA 0.783 55.583 54.840 -0.067 0.000 0.817 380 L CB 0.458 42.515 42.059 -0.003 0.000 1.168 380 L HN 0.810 nan 8.230 nan 0.000 0.434 381 K N 2.654 123.034 120.400 -0.033 0.000 2.391 381 K HA 0.247 4.497 4.320 -0.116 0.000 0.197 381 K C -0.480 176.125 176.600 0.008 0.000 1.087 381 K CA -0.107 56.164 56.287 -0.026 0.000 1.012 381 K CB 0.374 32.857 32.500 -0.029 0.000 0.925 381 K HN 0.726 nan 8.250 nan 0.000 0.547 382 D N -0.193 120.227 120.400 0.033 0.000 2.566 382 D HA 0.309 4.879 4.640 -0.116 0.000 0.254 382 D C -1.115 175.269 176.300 0.141 0.000 1.090 382 D CA -0.664 53.371 54.000 0.059 0.000 1.034 382 D CB 1.444 42.254 40.800 0.016 0.000 1.434 382 D HN -0.153 nan 8.370 nan 0.000 0.509 383 F N 0.074 119.999 119.950 -0.041 0.000 2.588 383 F HA 0.450 4.907 4.527 -0.116 0.000 0.314 383 F C -2.623 173.147 175.800 -0.050 0.000 1.134 383 F CA -1.301 56.675 58.000 -0.040 0.000 0.961 383 F CB 1.840 40.819 39.000 -0.035 0.000 1.239 383 F HN 0.111 nan 8.300 nan 0.000 0.448 384 P HA 0.448 nan 4.420 nan 0.000 0.278 384 P C -2.828 174.168 177.300 -0.507 0.000 1.266 384 P CA -1.614 60.812 63.100 -1.124 0.000 0.807 384 P CB 0.174 31.339 31.700 -0.892 0.000 1.094 385 P HA 0.135 nan 4.420 nan 0.000 0.265 385 P C -0.198 177.003 177.300 -0.165 0.000 1.193 385 P CA 0.411 63.403 63.100 -0.181 0.000 0.765 385 P CB 0.528 32.162 31.700 -0.109 0.000 0.823 386 R N 1.139 121.575 120.500 -0.108 0.000 2.720 386 R HA 0.557 4.828 4.340 -0.116 0.000 0.272 386 R C 0.230 176.499 176.300 -0.051 0.000 0.991 386 R CA -0.715 55.330 56.100 -0.092 0.000 1.010 386 R CB 1.332 31.590 30.300 -0.071 0.000 1.141 386 R HN 0.391 nan 8.270 nan 0.000 0.494 387 S N 0.132 115.816 115.700 -0.027 0.000 2.578 387 S HA 0.174 4.575 4.470 -0.116 0.000 0.283 387 S C 0.545 175.161 174.600 0.027 0.000 1.195 387 S CA -0.532 57.683 58.200 0.025 0.000 1.050 387 S CB 0.980 64.240 63.200 0.099 0.000 1.012 387 S HN 0.509 nan 8.310 nan 0.000 0.511 388 K N 2.588 123.020 120.400 0.053 0.000 2.459 388 K HA 0.208 4.459 4.320 -0.116 0.000 0.193 388 K C 0.095 176.721 176.600 0.043 0.000 1.030 388 K CA 0.107 56.421 56.287 0.044 0.000 1.026 388 K CB -0.111 32.424 32.500 0.058 0.000 0.809 388 K HN 0.552 nan 8.250 nan 0.000 0.504 389 L N 1.991 123.248 121.223 0.056 0.000 2.485 389 L HA -0.086 4.185 4.340 -0.116 0.000 0.275 389 L C 1.298 178.140 176.870 -0.046 0.000 1.207 389 L CA -0.152 54.700 54.840 0.021 0.000 0.855 389 L CB 0.224 42.303 42.059 0.033 0.000 1.114 389 L HN 0.146 nan 8.230 nan 0.000 0.485 390 D N 1.210 121.588 120.400 -0.036 0.000 1.681 390 D HA -0.136 4.435 4.640 -0.116 0.000 0.287 390 D C 1.566 177.813 176.300 -0.089 0.000 1.072 390 D CA 0.984 54.956 54.000 -0.047 0.000 0.940 390 D CB 0.258 41.043 40.800 -0.024 0.000 1.361 390 D HN 0.522 nan 8.370 nan 0.000 0.455 391 S N -0.783 114.875 115.700 -0.071 0.000 2.359 391 S HA -0.160 4.240 4.470 -0.116 0.000 0.224 391 S C 0.163 174.704 174.600 -0.099 0.000 1.035 391 S CA 0.998 59.157 58.200 -0.067 0.000 1.018 391 S CB -0.537 62.638 63.200 -0.041 0.000 0.876 391 S HN 0.449 nan 8.310 nan 0.000 0.448 392 Q N 1.407 121.128 119.800 -0.133 0.000 2.955 392 Q HA -0.066 4.204 4.340 -0.116 0.000 0.361 392 Q C 0.991 176.785 176.000 -0.342 0.000 1.060 392 Q CA 0.135 55.809 55.803 -0.214 0.000 1.177 392 Q CB 0.165 28.744 28.738 -0.265 0.000 0.991 392 Q HN 0.249 nan 8.270 nan 0.000 0.414 393 V N 4.040 123.852 119.914 -0.170 0.000 2.515 393 V HA -0.287 3.763 4.120 -0.116 0.000 0.250 393 V C 1.685 177.766 176.094 -0.023 0.000 1.058 393 V CA 1.968 64.217 62.300 -0.084 0.000 1.064 393 V CB -0.860 30.957 31.823 -0.010 0.000 0.675 393 V HN 0.886 nan 8.190 nan 0.000 0.461 394 Y N 0.278 120.626 120.300 0.080 0.000 2.639 394 Y HA 0.006 4.486 4.550 -0.116 0.000 0.289 394 Y C 1.984 177.932 175.900 0.081 0.000 1.155 394 Y CA 0.988 59.166 58.100 0.130 0.000 1.379 394 Y CB -1.451 37.070 38.460 0.101 0.000 0.967 394 Y HN 0.113 nan 8.280 nan 0.000 0.569 395 G N 0.511 109.185 108.800 -0.210 0.000 2.456 395 G HA2 -0.234 3.656 3.960 -0.116 0.000 0.213 395 G HA3 -0.234 3.656 3.960 -0.116 0.000 0.213 395 G C 0.960 175.835 174.900 -0.041 0.000 1.215 395 G CA 0.869 45.888 45.100 -0.134 0.000 0.805 395 G HN 0.429 nan 8.290 nan 0.000 0.537 396 D N -1.074 119.305 120.400 -0.036 0.000 2.219 396 D HA 0.006 4.576 4.640 -0.116 0.000 0.205 396 D C 1.581 177.901 176.300 0.034 0.000 0.970 396 D CA 0.584 54.582 54.000 -0.005 0.000 0.851 396 D CB 0.076 40.874 40.800 -0.004 0.000 0.943 396 D HN 0.481 nan 8.370 nan 0.000 0.488 397 H N -1.195 117.860 119.070 -0.024 0.000 2.914 397 H HA 0.245 4.732 4.556 -0.116 0.000 0.195 397 H C 0.569 175.886 175.328 -0.018 0.000 1.453 397 H CA 1.645 57.690 56.048 -0.005 0.000 1.455 397 H CB 0.132 29.911 29.762 0.029 0.000 1.657 397 H HN 0.013 nan 8.280 nan 0.000 0.793 398 T N -2.551 111.872 114.554 -0.218 0.000 2.659 398 T HA 0.222 4.503 4.350 -0.116 0.000 0.289 398 T C -0.510 174.118 174.700 -0.119 0.000 1.480 398 T CA -0.376 61.560 62.100 -0.272 0.000 1.039 398 T CB 0.087 68.657 68.868 -0.497 0.000 1.886 398 T HN 0.562 nan 8.240 nan 0.000 0.444 399 S N -0.619 114.961 115.700 -0.200 0.000 2.690 399 S HA 0.426 4.826 4.470 -0.116 0.000 0.291 399 S C 0.026 174.575 174.600 -0.085 0.000 1.138 399 S CA -0.549 57.567 58.200 -0.140 0.000 1.013 399 S CB 1.274 64.364 63.200 -0.182 0.000 1.053 399 S HN 0.605 nan 8.310 nan 0.000 0.539 400 Q N 1.068 120.869 119.800 0.002 0.000 2.246 400 Q HA 0.288 4.559 4.340 -0.116 0.000 0.222 400 Q C -0.219 175.855 176.000 0.124 0.000 0.851 400 Q CA -0.057 55.789 55.803 0.071 0.000 0.945 400 Q CB 0.281 29.070 28.738 0.085 0.000 1.122 400 Q HN 0.690 nan 8.270 nan 0.000 0.508 401 I N 2.723 123.370 120.570 0.127 0.000 2.775 401 I HA -0.077 4.024 4.170 -0.116 0.000 0.290 401 I C 1.001 177.288 176.117 0.284 0.000 1.203 401 I CA 0.608 62.110 61.300 0.336 0.000 1.433 401 I CB 0.491 38.642 38.000 0.251 0.000 1.354 401 I HN 0.002 nan 8.210 nan 0.000 0.579 402 T N 2.249 117.019 114.554 0.360 0.000 2.927 402 T HA 0.402 4.682 4.350 -0.116 0.000 0.286 402 T C 0.694 175.553 174.700 0.265 0.000 1.040 402 T CA -0.992 61.233 62.100 0.208 0.000 1.010 402 T CB 1.726 70.480 68.868 -0.190 0.000 1.177 402 T HN 0.542 nan 8.240 nan 0.000 0.546 403 K N 0.158 120.636 120.400 0.129 0.000 2.288 403 K HA -0.017 4.233 4.320 -0.116 0.000 0.201 403 K C 1.805 178.349 176.600 -0.093 0.000 1.048 403 K CA 0.861 57.077 56.287 -0.119 0.000 0.956 403 K CB -0.068 32.323 32.500 -0.182 0.000 0.746 403 K HN 0.578 nan 8.250 nan 0.000 0.461 404 E N 0.817 120.961 120.200 -0.093 0.000 2.077 404 E HA -0.149 4.131 4.350 -0.116 0.000 0.193 404 E C 1.722 178.294 176.600 -0.047 0.000 0.989 404 E CA 1.324 57.660 56.400 -0.106 0.000 0.800 404 E CB -0.245 29.358 29.700 -0.162 0.000 0.746 404 E HN 0.469 nan 8.360 nan 0.000 0.452 405 H N -0.750 118.316 119.070 -0.006 0.000 2.422 405 H HA -0.052 4.434 4.556 -0.116 0.000 0.298 405 H C 1.665 176.970 175.328 -0.037 0.000 1.098 405 H CA 0.889 56.932 56.048 -0.008 0.000 1.315 405 H CB 0.150 29.937 29.762 0.042 0.000 1.382 405 H HN 0.106 nan 8.280 nan 0.000 0.523 406 L N 0.095 121.353 121.223 0.057 0.000 2.408 406 L HA 0.063 4.334 4.340 -0.116 0.000 0.215 406 L C 0.113 176.905 176.870 -0.130 0.000 1.081 406 L CA 0.262 55.075 54.840 -0.044 0.000 0.840 406 L CB 0.209 42.198 42.059 -0.118 0.000 1.002 406 L HN 0.191 nan 8.230 nan 0.000 0.468 407 E N 1.596 121.721 120.200 -0.123 0.000 1.996 407 E HA 0.096 4.377 4.350 -0.116 0.000 0.280 407 E C -1.617 174.920 176.600 -0.104 0.000 1.092 407 E CA -0.866 55.450 56.400 -0.141 0.000 0.862 407 E CB 0.847 30.469 29.700 -0.130 0.000 1.066 407 E HN 0.209 nan 8.360 nan 0.000 0.396 408 P HA 0.168 nan 4.420 nan 0.000 0.515 408 P C 0.406 177.663 177.300 -0.071 0.000 0.871 408 P CA 0.160 63.208 63.100 -0.087 0.000 2.389 408 P CB 0.663 32.307 31.700 -0.093 0.000 1.130 409 N N -1.651 117.007 118.700 -0.071 0.000 3.166 409 N HA 0.146 4.816 4.740 -0.116 0.000 0.242 409 N C 1.269 176.781 175.510 0.003 0.000 1.017 409 N CA 0.133 53.166 53.050 -0.028 0.000 1.113 409 N CB -0.501 37.981 38.487 -0.009 0.000 1.629 409 N HN -0.091 nan 8.380 nan 0.000 0.601 410 L N 1.547 122.795 121.223 0.043 0.000 1.913 410 L HA 0.270 4.540 4.340 -0.116 0.000 0.215 410 L C 1.529 178.471 176.870 0.120 0.000 1.117 410 L CA 1.800 56.723 54.840 0.138 0.000 0.798 410 L CB -0.864 41.400 42.059 0.342 0.000 0.893 410 L HN 0.321 nan 8.230 nan 0.000 0.440 411 E N -0.972 119.342 120.200 0.190 0.000 2.478 411 E HA 0.106 4.387 4.350 -0.116 0.000 0.194 411 E C 0.692 177.322 176.600 0.050 0.000 1.045 411 E CA 0.477 56.964 56.400 0.145 0.000 0.868 411 E CB -0.099 29.743 29.700 0.237 0.000 0.885 411 E HN 0.769 nan 8.360 nan 0.000 0.505 412 G N 1.567 110.360 108.800 -0.013 0.000 2.273 412 G HA2 -0.279 3.611 3.960 -0.116 0.000 0.280 412 G HA3 -0.279 3.611 3.960 -0.116 0.000 0.280 412 G C 0.025 174.897 174.900 -0.046 0.000 1.047 412 G CA 0.490 45.564 45.100 -0.042 0.000 0.869 412 G HN 0.161 nan 8.290 nan 0.000 0.502 413 L N -0.509 120.676 121.223 -0.062 0.000 2.431 413 L HA 0.736 5.006 4.340 -0.116 0.000 0.260 413 L C 1.321 178.129 176.870 -0.103 0.000 1.098 413 L CA -0.305 54.501 54.840 -0.057 0.000 0.800 413 L CB 0.975 43.021 42.059 -0.022 0.000 1.210 413 L HN 0.275 nan 8.230 nan 0.000 0.465 414 T N -1.211 113.288 114.554 -0.091 0.000 2.788 414 T HA 0.207 4.487 4.350 -0.116 0.000 0.280 414 T C 1.078 175.682 174.700 -0.161 0.000 0.984 414 T CA -0.584 61.442 62.100 -0.123 0.000 0.972 414 T CB 1.207 70.016 68.868 -0.098 0.000 1.039 414 T HN 0.280 nan 8.240 nan 0.000 0.530 415 V N 1.987 121.765 119.914 -0.227 0.000 2.358 415 V HA -0.070 3.981 4.120 -0.116 0.000 0.246 415 V C 2.342 178.307 176.094 -0.214 0.000 1.047 415 V CA 2.185 64.296 62.300 -0.315 0.000 1.035 415 V CB -0.828 30.639 31.823 -0.593 0.000 0.658 415 V HN 0.842 nan 8.190 nan 0.000 0.452 416 D N -0.065 120.242 120.400 -0.156 0.000 2.092 416 D HA -0.212 4.358 4.640 -0.116 0.000 0.193 416 D C 2.161 178.424 176.300 -0.062 0.000 0.994 416 D CA 1.544 55.493 54.000 -0.086 0.000 0.828 416 D CB -0.261 40.503 40.800 -0.060 0.000 0.963 416 D HN 0.493 nan 8.370 nan 0.000 0.450 417 E N -0.170 119.994 120.200 -0.058 0.000 2.160 417 E HA -0.163 4.117 4.350 -0.116 0.000 0.195 417 E C 1.916 178.504 176.600 -0.020 0.000 0.991 417 E CA 1.008 57.388 56.400 -0.033 0.000 0.810 417 E CB 0.003 29.685 29.700 -0.029 0.000 0.742 417 E HN 0.258 nan 8.360 nan 0.000 0.466 418 A N 0.465 123.261 122.820 -0.040 0.000 1.898 418 A HA -0.091 4.160 4.320 -0.116 0.000 0.214 418 A C 2.079 179.661 177.584 -0.003 0.000 1.183 418 A CA 0.763 52.808 52.037 0.013 0.000 0.622 418 A CB -0.386 18.601 19.000 -0.022 0.000 0.824 418 A HN 0.219 nan 8.150 nan 0.000 0.444 419 I N -0.522 120.017 120.570 -0.051 0.000 2.226 419 I HA -0.314 3.787 4.170 -0.116 0.000 0.245 419 I C 2.791 178.877 176.117 -0.051 0.000 1.100 419 I CA 1.478 62.739 61.300 -0.064 0.000 1.374 419 I CB -0.346 37.624 38.000 -0.050 0.000 1.057 419 I HN 0.436 nan 8.210 nan 0.000 0.413 420 Q N 0.542 120.323 119.800 -0.032 0.000 2.135 420 Q HA -0.207 4.063 4.340 -0.116 0.000 0.204 420 Q C 1.307 177.299 176.000 -0.013 0.000 0.981 420 Q CA 1.565 57.355 55.803 -0.021 0.000 0.856 420 Q CB -0.158 28.571 28.738 -0.015 0.000 0.902 420 Q HN 0.630 nan 8.270 nan 0.000 0.425 421 N N 0.136 118.834 118.700 -0.002 0.000 2.322 421 N HA 0.011 4.681 4.740 -0.116 0.000 0.194 421 N C -0.773 174.746 175.510 0.015 0.000 1.126 421 N CA -0.097 52.962 53.050 0.015 0.000 0.845 421 N CB 0.455 38.965 38.487 0.037 0.000 0.976 421 N HN 0.008 nan 8.380 nan 0.000 0.475 422 K N 0.394 120.779 120.400 -0.026 0.000 3.096 422 K HA -0.212 4.039 4.320 -0.116 0.000 0.266 422 K C -0.221 176.326 176.600 -0.088 0.000 1.043 422 K CA 0.617 56.854 56.287 -0.084 0.000 0.758 422 K CB -1.639 30.849 32.500 -0.019 0.000 1.260 422 K HN 0.488 nan 8.250 nan 0.000 0.481 423 R N 0.171 120.652 120.500 -0.032 0.000 2.509 423 R HA 0.325 4.596 4.340 -0.116 0.000 0.300 423 R C 0.303 176.710 176.300 0.179 0.000 0.985 423 R CA -0.193 55.989 56.100 0.136 0.000 1.092 423 R CB 0.570 30.980 30.300 0.183 0.000 1.237 423 R HN 0.072 nan 8.270 nan 0.000 0.546 424 L N 1.315 122.418 121.223 -0.200 0.000 2.333 424 L HA 0.531 4.802 4.340 -0.116 0.000 0.280 424 L C -0.986 175.618 176.870 -0.443 0.000 1.004 424 L CA -0.652 54.136 54.840 -0.086 0.000 0.820 424 L CB 1.302 43.350 42.059 -0.018 0.000 1.247 424 L HN -0.066 nan 8.230 nan 0.000 0.416 425 F N 3.232 123.241 119.950 0.097 0.000 2.611 425 F HA 0.654 5.112 4.527 -0.115 0.000 0.324 425 F C -0.366 175.470 175.800 0.060 0.000 1.061 425 F CA -0.870 57.161 58.000 0.052 0.000 0.954 425 F CB 2.039 41.039 39.000 0.001 0.000 1.301 425 F HN 0.165 nan 8.300 nan 0.000 0.482 426 L N 2.449 123.789 121.223 0.195 0.000 2.408 426 L HA 0.587 4.858 4.340 -0.116 0.000 0.268 426 L C -1.932 174.975 176.870 0.062 0.000 0.986 426 L CA -0.531 54.382 54.840 0.121 0.000 0.820 426 L CB 1.952 44.058 42.059 0.079 0.000 1.303 426 L HN 0.604 nan 8.230 nan 0.000 0.411 427 L N 4.869 126.119 121.223 0.045 0.000 2.313 427 L HA 0.423 4.693 4.340 -0.116 0.000 0.273 427 L C -1.063 175.786 176.870 -0.036 0.000 1.028 427 L CA -0.177 54.642 54.840 -0.035 0.000 0.871 427 L CB 0.876 42.923 42.059 -0.021 0.000 1.242 427 L HN 0.709 nan 8.230 nan 0.000 0.434 428 D N 3.438 123.766 120.400 -0.121 0.000 2.317 428 D HA 0.174 4.744 4.640 -0.116 0.000 0.234 428 D C 0.082 176.292 176.300 -0.149 0.000 1.112 428 D CA -0.101 53.866 54.000 -0.056 0.000 0.840 428 D CB 0.725 41.511 40.800 -0.024 0.000 1.078 428 D HN 0.526 nan 8.370 nan 0.000 0.486 429 H N 2.190 121.319 119.070 0.097 0.000 2.649 429 H HA 0.019 4.505 4.556 -0.117 0.000 0.258 429 H C 0.737 176.161 175.328 0.159 0.000 1.165 429 H CA -0.129 55.980 56.048 0.103 0.000 1.006 429 H CB 0.482 30.315 29.762 0.119 0.000 1.743 429 H HN 0.608 nan 8.280 nan 0.000 0.609 430 H N 0.914 120.091 119.070 0.178 0.000 2.284 430 H HA -0.088 4.399 4.556 -0.116 0.000 0.304 430 H C 1.359 176.776 175.328 0.149 0.000 1.069 430 H CA 2.071 58.202 56.048 0.138 0.000 1.327 430 H CB 0.633 30.451 29.762 0.093 0.000 1.387 430 H HN 0.159 nan 8.280 nan 0.000 0.498 431 D N -0.100 120.490 120.400 0.317 0.000 2.097 431 D HA -0.104 4.467 4.640 -0.116 0.000 0.195 431 D C -0.530 175.877 176.300 0.179 0.000 0.989 431 D CA 1.328 55.491 54.000 0.271 0.000 0.827 431 D CB -1.571 39.370 40.800 0.235 0.000 0.966 431 D HN 0.454 nan 8.370 nan 0.000 0.456 432 P HA 0.016 nan 4.420 nan 0.000 0.218 432 P C 1.747 178.998 177.300 -0.083 0.000 1.152 432 P CA 0.512 63.655 63.100 0.072 0.000 0.826 432 P CB 0.241 32.039 31.700 0.163 0.000 0.790 433 I N -2.071 118.474 120.570 -0.042 0.000 2.852 433 I HA -0.105 3.995 4.170 -0.116 0.000 0.264 433 I C 1.873 177.962 176.117 -0.047 0.000 1.179 433 I CA 0.630 61.860 61.300 -0.118 0.000 1.480 433 I CB -0.118 37.910 38.000 0.047 0.000 1.111 433 I HN -0.135 nan 8.210 nan 0.000 0.441 434 M N 1.548 121.121 119.600 -0.046 0.000 2.088 434 M HA -0.169 4.241 4.480 -0.116 0.000 0.256 434 M C -0.540 175.756 176.300 -0.007 0.000 1.071 434 M CA 2.352 57.616 55.300 -0.061 0.000 1.097 434 M CB -2.341 30.248 32.600 -0.018 0.000 1.315 434 M HN 0.075 nan 8.290 nan 0.000 0.406 435 P HA -0.094 nan 4.420 nan 0.000 0.225 435 P C 0.679 177.879 177.300 -0.166 0.000 1.156 435 P CA 1.144 64.221 63.100 -0.038 0.000 0.787 435 P CB -0.163 31.530 31.700 -0.011 0.000 0.802 436 Y N -1.908 118.293 120.300 -0.165 0.000 2.458 436 Y HA 0.167 4.649 4.550 -0.115 0.000 0.256 436 Y C 1.746 177.519 175.900 -0.212 0.000 1.159 436 Y CA -0.189 57.759 58.100 -0.254 0.000 1.261 436 Y CB -0.064 38.200 38.460 -0.327 0.000 1.119 436 Y HN -0.143 nan 8.280 nan 0.000 0.524 437 L N 1.007 122.207 121.223 -0.039 0.000 2.209 437 L HA -0.044 4.226 4.340 -0.116 0.000 0.207 437 L C 2.630 179.476 176.870 -0.040 0.000 1.094 437 L CA 1.416 56.239 54.840 -0.029 0.000 0.790 437 L CB -0.499 41.526 42.059 -0.058 0.000 0.932 437 L HN 0.162 nan 8.230 nan 0.000 0.447 438 R N -0.462 119.980 120.500 -0.097 0.000 2.115 438 R HA -0.151 4.120 4.340 -0.116 0.000 0.230 438 R C 2.126 178.432 176.300 0.010 0.000 1.111 438 R CA 1.415 57.484 56.100 -0.052 0.000 0.976 438 R CB -0.534 29.724 30.300 -0.070 0.000 0.870 438 R HN 0.319 nan 8.270 nan 0.000 0.445 439 R N 0.575 121.049 120.500 -0.043 0.000 2.057 439 R HA 0.079 4.349 4.340 -0.116 0.000 0.229 439 R C 2.518 178.882 176.300 0.106 0.000 1.136 439 R CA 1.587 57.675 56.100 -0.020 0.000 0.952 439 R CB -0.414 29.730 30.300 -0.260 0.000 0.848 439 R HN 0.173 nan 8.270 nan 0.000 0.430 440 I N 1.573 122.207 120.570 0.106 0.000 2.181 440 I HA -0.359 3.741 4.170 -0.116 0.000 0.247 440 I C 1.415 177.602 176.117 0.118 0.000 1.081 440 I CA 1.287 62.699 61.300 0.187 0.000 1.340 440 I CB -0.298 37.809 38.000 0.177 0.000 1.036 440 I HN 0.203 nan 8.210 nan 0.000 0.417 441 N N 0.413 119.162 118.700 0.082 0.000 2.467 441 N HA 0.044 4.714 4.740 -0.116 0.000 0.184 441 N C 1.403 176.948 175.510 0.058 0.000 1.106 441 N CA 0.942 54.029 53.050 0.061 0.000 0.892 441 N CB 0.068 38.635 38.487 0.133 0.000 0.969 441 N HN 0.333 nan 8.380 nan 0.000 0.454 442 A N -0.078 122.790 122.820 0.080 0.000 2.275 442 A HA 0.084 4.334 4.320 -0.116 0.000 0.212 442 A C 1.310 178.935 177.584 0.068 0.000 1.201 442 A CA 0.235 52.317 52.037 0.074 0.000 0.843 442 A CB -0.335 18.716 19.000 0.086 0.000 0.873 442 A HN 0.328 nan 8.150 nan 0.000 0.492 443 T N -3.070 111.529 114.554 0.075 0.000 2.891 443 T HA 0.301 4.581 4.350 -0.116 0.000 0.294 443 T C 1.404 176.110 174.700 0.009 0.000 1.065 443 T CA 0.387 62.520 62.100 0.055 0.000 0.936 443 T CB 0.602 69.523 68.868 0.088 0.000 1.415 443 T HN 0.464 nan 8.240 nan 0.000 0.572 444 S N -1.037 114.659 115.700 -0.005 0.000 2.515 444 S HA 0.051 4.451 4.470 -0.116 0.000 0.231 444 S C 0.861 175.424 174.600 -0.063 0.000 0.987 444 S CA 0.015 58.194 58.200 -0.035 0.000 0.936 444 S CB -0.998 62.182 63.200 -0.032 0.000 0.766 444 S HN 0.752 nan 8.310 nan 0.000 0.528 445 T N 3.722 118.251 114.554 -0.042 0.000 2.884 445 T HA 0.310 4.590 4.350 -0.116 0.000 0.298 445 T C -0.259 174.344 174.700 -0.161 0.000 0.998 445 T CA -0.182 61.881 62.100 -0.062 0.000 1.124 445 T CB 0.598 69.475 68.868 0.016 0.000 0.931 445 T HN 0.143 nan 8.240 nan 0.000 0.531 446 K N 2.479 122.721 120.400 -0.264 0.000 2.521 446 K HA 0.699 4.949 4.320 -0.116 0.000 0.248 446 K C -0.577 175.826 176.600 -0.328 0.000 0.978 446 K CA -0.503 55.436 56.287 -0.580 0.000 0.947 446 K CB 1.809 33.556 32.500 -1.254 0.000 1.165 446 K HN 0.657 nan 8.250 nan 0.000 0.445 447 A N 2.796 125.511 122.820 -0.175 0.000 2.486 447 A HA 0.866 5.116 4.320 -0.116 0.000 0.289 447 A C -1.506 175.923 177.584 -0.258 0.000 1.176 447 A CA -0.623 51.365 52.037 -0.081 0.000 0.757 447 A CB 1.061 20.110 19.000 0.081 0.000 1.337 447 A HN 0.486 nan 8.150 nan 0.000 0.423 448 Y N -1.114 119.210 120.300 0.040 0.000 2.598 448 Y HA 0.644 5.124 4.550 -0.116 0.000 0.340 448 Y C 0.511 176.414 175.900 0.005 0.000 1.038 448 Y CA -0.386 57.704 58.100 -0.016 0.000 1.100 448 Y CB 2.187 40.579 38.460 -0.113 0.000 1.281 448 Y HN 0.834 nan 8.280 nan 0.000 0.488 449 A N 1.348 124.243 122.820 0.125 0.000 2.249 449 A HA 0.629 4.880 4.320 -0.116 0.000 0.314 449 A C -0.133 177.497 177.584 0.076 0.000 1.290 449 A CA -0.403 51.634 52.037 0.000 0.000 0.893 449 A CB -0.156 18.639 19.000 -0.341 0.000 1.165 449 A HN 0.703 nan 8.150 nan 0.000 0.530 450 T N 0.479 115.140 114.554 0.177 0.000 2.950 450 T HA 0.822 5.102 4.350 -0.116 0.000 0.288 450 T C -0.261 174.592 174.700 0.255 0.000 1.035 450 T CA -0.827 61.398 62.100 0.209 0.000 1.028 450 T CB 1.362 70.351 68.868 0.201 0.000 1.109 450 T HN 0.662 nan 8.240 nan 0.000 0.514 451 R N 0.230 120.859 120.500 0.215 0.000 2.584 451 R HA 0.570 4.841 4.340 -0.116 0.000 0.276 451 R C -1.361 175.056 176.300 0.196 0.000 1.046 451 R CA -0.736 55.477 56.100 0.188 0.000 0.906 451 R CB 2.653 33.042 30.300 0.148 0.000 1.215 451 R HN 0.800 nan 8.270 nan 0.000 0.449 452 T N 3.469 118.141 114.554 0.198 0.000 2.840 452 T HA 0.464 4.744 4.350 -0.116 0.000 0.287 452 T C -0.118 174.713 174.700 0.218 0.000 0.991 452 T CA -0.482 61.764 62.100 0.243 0.000 0.964 452 T CB 1.097 70.138 68.868 0.290 0.000 0.954 452 T HN 0.308 nan 8.240 nan 0.000 0.438 453 I N 3.822 124.539 120.570 0.245 0.000 2.385 453 I HA 0.469 4.570 4.170 -0.116 0.000 0.294 453 I C -0.773 175.505 176.117 0.269 0.000 0.988 453 I CA -0.634 60.810 61.300 0.240 0.000 1.265 453 I CB 1.096 39.245 38.000 0.249 0.000 1.388 453 I HN 0.380 nan 8.210 nan 0.000 0.480 454 L N 6.330 127.720 121.223 0.278 0.000 2.333 454 L HA 0.543 4.813 4.340 -0.116 0.000 0.263 454 L C -0.981 176.128 176.870 0.398 0.000 1.014 454 L CA -0.522 54.501 54.840 0.306 0.000 0.820 454 L CB 1.768 43.965 42.059 0.230 0.000 1.352 454 L HN 0.311 nan 8.230 nan 0.000 0.421 455 F N 2.043 122.101 119.950 0.180 0.000 2.493 455 F HA 0.580 5.038 4.527 -0.116 0.000 0.329 455 F C -0.893 174.997 175.800 0.151 0.000 1.126 455 F CA -1.233 56.865 58.000 0.163 0.000 0.937 455 F CB 1.620 40.678 39.000 0.097 0.000 1.146 455 F HN 0.256 nan 8.300 nan 0.000 0.442 456 L N 7.267 128.359 121.223 -0.219 0.000 2.342 456 L HA 0.338 4.609 4.340 -0.116 0.000 0.285 456 L C -0.122 176.283 176.870 -0.775 0.000 1.095 456 L CA 0.085 54.729 54.840 -0.327 0.000 0.843 456 L CB -0.232 41.790 42.059 -0.062 0.000 1.201 456 L HN 0.599 nan 8.230 nan 0.000 0.445 457 K N 3.428 123.508 120.400 -0.534 0.000 2.187 457 K HA 0.076 4.326 4.320 -0.116 0.000 0.247 457 K C 1.089 177.526 176.600 -0.271 0.000 1.019 457 K CA 0.152 56.177 56.287 -0.436 0.000 0.893 457 K CB 0.376 32.784 32.500 -0.153 0.000 1.025 457 K HN 0.659 nan 8.250 nan 0.000 0.500 458 N N 1.011 119.622 118.700 -0.148 0.000 2.192 458 N HA -0.208 4.462 4.740 -0.116 0.000 0.188 458 N C 0.510 175.985 175.510 -0.058 0.000 1.013 458 N CA 1.568 54.574 53.050 -0.073 0.000 0.863 458 N CB -0.066 38.410 38.487 -0.017 0.000 0.990 458 N HN 0.528 nan 8.380 nan 0.000 0.430 459 D N -1.454 118.913 120.400 -0.056 0.000 2.328 459 D HA 0.170 4.741 4.640 -0.116 0.000 0.221 459 D C 1.158 177.432 176.300 -0.043 0.000 1.072 459 D CA 0.304 54.283 54.000 -0.036 0.000 0.850 459 D CB 0.216 41.005 40.800 -0.019 0.000 0.922 459 D HN 0.198 nan 8.370 nan 0.000 0.516 460 G N 0.017 108.775 108.800 -0.070 0.000 2.213 460 G HA2 -0.266 3.625 3.960 -0.116 0.000 0.236 460 G HA3 -0.266 3.625 3.960 -0.116 0.000 0.236 460 G C 0.531 175.379 174.900 -0.087 0.000 0.991 460 G CA 0.248 45.305 45.100 -0.071 0.000 0.629 460 G HN 0.773 nan 8.290 nan 0.000 0.517 461 T N -0.539 113.968 114.554 -0.079 0.000 2.910 461 T HA 0.693 4.974 4.350 -0.116 0.000 0.293 461 T C 0.194 174.831 174.700 -0.104 0.000 1.015 461 T CA -0.548 61.507 62.100 -0.076 0.000 1.094 461 T CB 2.464 71.313 68.868 -0.032 0.000 0.968 461 T HN 0.734 nan 8.240 nan 0.000 0.521 462 L N 2.031 123.192 121.223 -0.103 0.000 2.350 462 L HA 0.632 4.902 4.340 -0.116 0.000 0.275 462 L C 0.262 177.146 176.870 0.023 0.000 1.099 462 L CA -0.285 54.503 54.840 -0.087 0.000 0.808 462 L CB 1.095 43.056 42.059 -0.164 0.000 1.149 462 L HN 0.950 nan 8.230 nan 0.000 0.442 463 R N 5.831 126.395 120.500 0.106 0.000 2.628 463 R HA 0.650 4.921 4.340 -0.116 0.000 0.288 463 R C -2.850 173.613 176.300 0.272 0.000 0.980 463 R CA -1.599 54.614 56.100 0.188 0.000 0.891 463 R CB 2.084 32.493 30.300 0.182 0.000 1.188 463 R HN 0.374 nan 8.270 nan 0.000 0.450 464 P HA 0.125 nan 4.420 nan 0.000 0.279 464 P C -0.658 176.856 177.300 0.357 0.000 1.239 464 P CA -0.402 62.970 63.100 0.452 0.000 0.789 464 P CB 1.364 33.493 31.700 0.716 0.000 0.933 465 L N 1.944 123.357 121.223 0.318 0.000 2.685 465 L HA 0.524 4.794 4.340 -0.116 0.000 0.235 465 L C 0.691 177.647 176.870 0.144 0.000 1.070 465 L CA 0.496 55.437 54.840 0.168 0.000 0.888 465 L CB -0.202 41.943 42.059 0.143 0.000 1.203 465 L HN 0.570 nan 8.230 nan 0.000 0.499 466 A N -0.506 122.496 122.820 0.303 0.000 2.582 466 A HA 0.639 4.890 4.320 -0.116 0.000 0.297 466 A C -1.530 176.279 177.584 0.375 0.000 1.059 466 A CA -0.293 51.909 52.037 0.275 0.000 0.705 466 A CB 0.775 19.872 19.000 0.162 0.000 1.279 466 A HN -0.058 nan 8.150 nan 0.000 0.404 467 I N 1.309 122.120 120.570 0.401 0.000 2.498 467 I HA 0.396 4.496 4.170 -0.116 0.000 0.290 467 I C -0.072 176.188 176.117 0.240 0.000 1.032 467 I CA -0.271 61.205 61.300 0.294 0.000 1.073 467 I CB 2.109 40.220 38.000 0.185 0.000 1.251 467 I HN 0.798 nan 8.210 nan 0.000 0.426 468 E N 7.017 127.319 120.200 0.170 0.000 2.156 468 E HA 0.506 4.786 4.350 -0.116 0.000 0.279 468 E C -1.457 175.201 176.600 0.095 0.000 0.965 468 E CA -0.623 55.851 56.400 0.123 0.000 0.789 468 E CB 1.261 31.019 29.700 0.097 0.000 1.098 468 E HN 0.482 nan 8.360 nan 0.000 0.397 469 L N 3.270 124.517 121.223 0.039 0.000 2.298 469 L HA 0.362 4.632 4.340 -0.116 0.000 0.284 469 L C -0.116 176.740 176.870 -0.024 0.000 1.013 469 L CA -0.545 54.221 54.840 -0.123 0.000 0.824 469 L CB 1.769 43.470 42.059 -0.596 0.000 1.221 469 L HN 0.358 nan 8.230 nan 0.000 0.418 470 S N 3.812 119.571 115.700 0.100 0.000 2.472 470 S HA 0.724 5.124 4.470 -0.116 0.000 0.303 470 S C -0.474 174.186 174.600 0.100 0.000 1.099 470 S CA -0.473 57.763 58.200 0.060 0.000 1.077 470 S CB 1.058 64.284 63.200 0.043 0.000 1.031 470 S HN 0.400 nan 8.310 nan 0.000 0.487 471 L N 5.486 126.751 121.223 0.070 0.000 2.322 471 L HA 0.502 4.772 4.340 -0.116 0.000 0.269 471 L C -1.507 175.353 176.870 -0.017 0.000 1.012 471 L CA -2.400 52.454 54.840 0.024 0.000 0.815 471 L CB 2.123 44.237 42.059 0.091 0.000 1.295 471 L HN 0.478 nan 8.230 nan 0.000 0.438 472 P HA -0.060 nan 4.420 nan 0.000 0.203 472 P C -0.567 176.699 177.300 -0.057 0.000 1.202 472 P CA 1.137 64.109 63.100 -0.213 0.000 0.917 472 P CB 0.100 31.455 31.700 -0.575 0.000 0.750 473 H N -3.174 115.921 119.070 0.041 0.000 3.108 473 H HA 0.406 4.893 4.556 -0.116 0.000 0.329 473 H C -2.111 173.209 175.328 -0.015 0.000 0.978 473 H CA -2.160 53.906 56.048 0.031 0.000 1.413 473 H CB 0.681 30.461 29.762 0.030 0.000 1.670 473 H HN -0.046 nan 8.280 nan 0.000 0.512 474 P HA -0.181 nan 4.420 nan 0.000 0.215 474 P C 0.858 178.154 177.300 -0.006 0.000 1.153 474 P CA 1.253 64.347 63.100 -0.011 0.000 0.853 474 P CB 0.336 31.978 31.700 -0.097 0.000 0.788 475 Q N -0.947 118.869 119.800 0.027 0.000 2.135 475 Q HA 0.482 4.752 4.340 -0.116 0.000 0.231 475 Q C 0.474 176.453 176.000 -0.035 0.000 0.817 475 Q CA 0.185 55.977 55.803 -0.018 0.000 1.073 475 Q CB 1.065 29.799 28.738 -0.006 0.000 1.176 475 Q HN 0.185 nan 8.270 nan 0.000 0.478 476 G N 1.016 109.771 108.800 -0.074 0.000 2.497 476 G HA2 -0.167 3.723 3.960 -0.116 0.000 0.686 476 G HA3 -0.167 3.723 3.960 -0.116 0.000 0.686 476 G C -0.587 174.436 174.900 0.205 0.000 1.288 476 G CA -0.304 44.763 45.100 -0.056 0.000 0.899 476 G HN 0.053 nan 8.290 nan 0.000 0.608 477 D N -0.350 120.179 120.400 0.214 0.000 2.234 477 D HA -0.046 4.525 4.640 -0.116 0.000 0.205 477 D C 2.221 178.597 176.300 0.126 0.000 0.962 477 D CA 1.059 55.191 54.000 0.219 0.000 0.855 477 D CB 0.297 41.193 40.800 0.160 0.000 0.951 477 D HN 0.503 nan 8.370 nan 0.000 0.500 478 Q N 0.020 119.864 119.800 0.073 0.000 2.472 478 Q HA 0.036 4.307 4.340 -0.116 0.000 0.208 478 Q C 1.218 177.249 176.000 0.051 0.000 0.958 478 Q CA 0.162 55.986 55.803 0.036 0.000 0.932 478 Q CB 0.279 29.026 28.738 0.015 0.000 1.007 478 Q HN -0.113 nan 8.270 nan 0.000 0.508 479 S N -0.045 115.709 115.700 0.089 0.000 2.763 479 S HA 0.246 4.647 4.470 -0.116 0.000 0.237 479 S C 0.554 175.242 174.600 0.146 0.000 0.966 479 S CA 0.255 58.511 58.200 0.092 0.000 1.017 479 S CB -0.511 62.740 63.200 0.084 0.000 0.780 479 S HN 0.671 nan 8.310 nan 0.000 0.476 480 G N 1.230 110.150 108.800 0.201 0.000 2.550 480 G HA2 -0.035 3.856 3.960 -0.116 0.000 0.277 480 G HA3 -0.035 3.856 3.960 -0.116 0.000 0.277 480 G C -0.102 175.094 174.900 0.492 0.000 1.190 480 G CA -0.251 45.099 45.100 0.417 0.000 0.971 480 G HN 1.311 nan 8.290 nan 0.000 0.559 481 A N -1.501 121.482 122.820 0.273 0.000 2.572 481 A HA 0.701 4.952 4.320 -0.116 0.000 0.295 481 A C -0.886 176.774 177.584 0.126 0.000 1.072 481 A CA 0.132 52.215 52.037 0.076 0.000 0.691 481 A CB 1.615 20.461 19.000 -0.256 0.000 1.291 481 A HN 2.004 nan 8.150 nan 0.000 0.404 482 F N 1.835 121.780 119.950 -0.007 0.000 2.427 482 F HA 0.651 5.108 4.527 -0.116 0.000 0.352 482 F C 0.214 176.024 175.800 0.016 0.000 1.100 482 F CA 0.111 58.113 58.000 0.003 0.000 1.191 482 F CB 1.050 40.047 39.000 -0.005 0.000 1.128 482 F HN 0.385 nan 8.300 nan 0.000 0.533 483 S N 4.652 119.974 115.700 -0.629 0.000 2.541 483 S HA 0.569 4.970 4.470 -0.116 0.000 0.280 483 S C -1.089 173.130 174.600 -0.634 0.000 1.112 483 S CA -0.688 57.238 58.200 -0.457 0.000 0.925 483 S CB 1.977 65.078 63.200 -0.166 0.000 1.067 483 S HN 0.705 nan 8.310 nan 0.000 0.479 484 Q N 0.826 120.382 119.800 -0.406 0.000 2.416 484 Q HA 0.813 5.083 4.340 -0.116 0.000 0.279 484 Q C -1.393 174.484 176.000 -0.205 0.000 1.101 484 Q CA -0.960 54.640 55.803 -0.339 0.000 0.830 484 Q CB 2.093 30.667 28.738 -0.273 0.000 1.402 484 Q HN 0.401 nan 8.270 nan 0.000 0.445 485 V N 1.476 121.147 119.914 -0.406 0.000 2.638 485 V HA 0.554 4.605 4.120 -0.116 0.000 0.306 485 V C -1.458 174.308 176.094 -0.546 0.000 1.052 485 V CA -0.648 61.462 62.300 -0.316 0.000 0.885 485 V CB 1.156 32.737 31.823 -0.402 0.000 0.999 485 V HN 0.556 nan 8.190 nan 0.000 0.424 486 F N 4.410 124.354 119.950 -0.010 0.000 2.520 486 F HA 0.720 5.178 4.527 -0.115 0.000 0.322 486 F C -0.140 175.756 175.800 0.161 0.000 1.103 486 F CA -0.721 57.359 58.000 0.132 0.000 0.926 486 F CB 1.747 40.909 39.000 0.270 0.000 1.154 486 F HN 0.138 nan 8.300 nan 0.000 0.453 487 L N 4.291 125.560 121.223 0.076 0.000 2.342 487 L HA 0.567 4.837 4.340 -0.116 0.000 0.271 487 L C -2.322 174.046 176.870 -0.837 0.000 1.008 487 L CA -2.245 52.412 54.840 -0.305 0.000 0.818 487 L CB 2.200 44.132 42.059 -0.211 0.000 1.296 487 L HN 0.329 nan 8.230 nan 0.000 0.427 488 P HA 0.170 nan 4.420 nan 0.000 0.267 488 P C -1.139 175.670 177.300 -0.818 0.000 1.200 488 P CA -0.085 61.871 63.100 -1.906 0.000 0.772 488 P CB 1.119 32.120 31.700 -1.165 0.000 0.855 489 A N 2.160 124.609 122.820 -0.618 0.000 2.520 489 A HA 0.523 4.774 4.320 -0.116 0.000 0.298 489 A C 0.004 177.514 177.584 -0.123 0.000 1.051 489 A CA -0.517 51.378 52.037 -0.237 0.000 0.690 489 A CB 1.272 20.209 19.000 -0.106 0.000 1.281 489 A HN 0.524 nan 8.150 nan 0.000 0.402 490 D N 0.426 120.782 120.400 -0.074 0.000 2.474 490 D HA 0.133 4.704 4.640 -0.116 0.000 0.213 490 D C 0.246 176.533 176.300 -0.021 0.000 1.120 490 D CA 0.268 54.249 54.000 -0.032 0.000 0.836 490 D CB 0.383 41.164 40.800 -0.032 0.000 1.019 490 D HN 0.541 nan 8.370 nan 0.000 0.507 491 E N 0.276 120.463 120.200 -0.022 0.000 2.202 491 E HA 0.496 4.776 4.350 -0.116 0.000 0.272 491 E C 0.443 177.039 176.600 -0.006 0.000 0.951 491 E CA -0.274 56.117 56.400 -0.015 0.000 0.813 491 E CB 1.543 31.233 29.700 -0.015 0.000 1.151 491 E HN 0.213 nan 8.360 nan 0.000 0.398 492 G N 0.737 109.532 108.800 -0.009 0.000 2.749 492 G HA2 -0.308 3.583 3.960 -0.116 0.000 0.242 492 G HA3 -0.308 3.583 3.960 -0.116 0.000 0.242 492 G C 0.782 175.678 174.900 -0.007 0.000 1.364 492 G CA -0.264 44.831 45.100 -0.007 0.000 0.888 492 G HN 0.650 nan 8.290 nan 0.000 0.566 493 V N 0.353 120.255 119.914 -0.019 0.000 2.453 493 V HA -0.160 3.890 4.120 -0.116 0.000 0.252 493 V C 2.617 178.714 176.094 0.005 0.000 1.068 493 V CA 3.389 65.656 62.300 -0.055 0.000 1.070 493 V CB -0.640 31.099 31.823 -0.139 0.000 0.664 493 V HN 0.768 nan 8.190 nan 0.000 0.461 494 E N 0.746 120.984 120.200 0.063 0.000 2.265 494 E HA -0.143 4.138 4.350 -0.116 0.000 0.196 494 E C 2.303 178.986 176.600 0.139 0.000 0.996 494 E CA 1.400 57.873 56.400 0.122 0.000 0.832 494 E CB -0.323 29.440 29.700 0.105 0.000 0.756 494 E HN 0.879 nan 8.360 nan 0.000 0.491 495 S N -0.473 115.281 115.700 0.090 0.000 2.406 495 S HA -0.070 4.331 4.470 -0.116 0.000 0.228 495 S C 2.081 176.762 174.600 0.134 0.000 1.020 495 S CA 0.955 59.227 58.200 0.120 0.000 0.965 495 S CB -0.117 63.113 63.200 0.050 0.000 0.798 495 S HN 0.057 nan 8.310 nan 0.000 0.488 496 S N 1.861 117.602 115.700 0.068 0.000 2.387 496 S HA 0.199 4.599 4.470 -0.116 0.000 0.226 496 S C 1.770 176.415 174.600 0.076 0.000 1.026 496 S CA 0.878 59.103 58.200 0.041 0.000 0.972 496 S CB -0.453 62.740 63.200 -0.011 0.000 0.814 496 S HN 0.462 nan 8.310 nan 0.000 0.477 497 I N 0.689 121.328 120.570 0.115 0.000 2.208 497 I HA -0.233 3.868 4.170 -0.116 0.000 0.245 497 I C 2.346 178.544 176.117 0.135 0.000 1.097 497 I CA 1.296 62.689 61.300 0.154 0.000 1.363 497 I CB -0.299 37.873 38.000 0.287 0.000 1.051 497 I HN 0.538 nan 8.210 nan 0.000 0.413 498 W N 1.737 123.043 121.300 0.009 0.000 2.358 498 W HA -0.252 4.339 4.660 -0.115 0.000 0.303 498 W C 2.334 178.793 176.519 -0.100 0.000 1.208 498 W CA 1.132 58.458 57.345 -0.031 0.000 1.274 498 W CB -0.068 29.383 29.460 -0.015 0.000 1.138 498 W HN 0.162 nan 8.180 nan 0.000 0.515 499 L N 1.322 122.467 121.223 -0.130 0.000 2.141 499 L HA -0.121 4.149 4.340 -0.116 0.000 0.209 499 L C 2.287 179.078 176.870 -0.132 0.000 1.094 499 L CA 1.707 56.409 54.840 -0.231 0.000 0.763 499 L CB -0.910 41.090 42.059 -0.098 0.000 0.908 499 L HN -0.035 nan 8.230 nan 0.000 0.437 500 L N -0.338 120.829 121.223 -0.095 0.000 2.093 500 L HA -0.137 4.133 4.340 -0.116 0.000 0.208 500 L C 2.726 179.312 176.870 -0.473 0.000 1.085 500 L CA 1.065 55.764 54.840 -0.235 0.000 0.755 500 L CB -0.904 41.059 42.059 -0.160 0.000 0.904 500 L HN 0.411 nan 8.230 nan 0.000 0.435 501 A N 0.123 122.687 122.820 -0.427 0.000 1.972 501 A HA -0.203 4.047 4.320 -0.116 0.000 0.219 501 A C 2.309 179.584 177.584 -0.515 0.000 1.169 501 A CA 1.514 53.270 52.037 -0.469 0.000 0.635 501 A CB -0.272 18.392 19.000 -0.560 0.000 0.810 501 A HN 0.337 nan 8.150 nan 0.000 0.446 502 K N -0.301 119.651 120.400 -0.747 0.000 2.057 502 K HA -0.010 4.241 4.320 -0.116 0.000 0.206 502 K C 2.359 178.807 176.600 -0.253 0.000 1.050 502 K CA 1.027 56.856 56.287 -0.763 0.000 0.935 502 K CB -0.354 31.433 32.500 -1.189 0.000 0.715 502 K HN 0.412 nan 8.250 nan 0.000 0.439 503 A N 1.124 123.800 122.820 -0.241 0.000 1.908 503 A HA -0.198 4.053 4.320 -0.116 0.000 0.218 503 A C 1.920 179.381 177.584 -0.206 0.000 1.181 503 A CA 1.467 53.383 52.037 -0.202 0.000 0.627 503 A CB -0.875 17.913 19.000 -0.352 0.000 0.818 503 A HN 0.277 nan 8.150 nan 0.000 0.445 504 Y N -0.254 119.999 120.300 -0.078 0.000 2.256 504 Y HA -0.147 4.334 4.550 -0.116 0.000 0.288 504 Y C 2.553 178.468 175.900 0.025 0.000 1.155 504 Y CA 0.973 59.074 58.100 0.001 0.000 1.203 504 Y CB -0.979 37.487 38.460 0.009 0.000 0.980 504 Y HN 0.100 nan 8.280 nan 0.000 0.530 505 V N -0.981 119.025 119.914 0.153 0.000 2.244 505 V HA -0.248 3.803 4.120 -0.116 0.000 0.244 505 V C 2.314 178.467 176.094 0.099 0.000 1.042 505 V CA 1.660 64.058 62.300 0.162 0.000 1.006 505 V CB -0.958 31.030 31.823 0.276 0.000 0.641 505 V HN 0.226 nan 8.190 nan 0.000 0.446 506 V N -0.425 119.568 119.914 0.133 0.000 2.370 506 V HA -0.261 3.789 4.120 -0.116 0.000 0.252 506 V C 2.396 178.492 176.094 0.004 0.000 1.068 506 V CA 2.016 64.362 62.300 0.076 0.000 1.061 506 V CB -0.627 31.251 31.823 0.092 0.000 0.656 506 V HN 0.413 nan 8.190 nan 0.000 0.455 507 V N 0.147 120.068 119.914 0.013 0.000 2.548 507 V HA -0.212 3.839 4.120 -0.116 0.000 0.249 507 V C 2.148 178.240 176.094 -0.004 0.000 1.055 507 V CA 2.097 64.405 62.300 0.013 0.000 1.065 507 V CB -0.687 31.158 31.823 0.036 0.000 0.681 507 V HN 0.646 nan 8.190 nan 0.000 0.462 508 N N -0.432 118.244 118.700 -0.040 0.000 2.120 508 N HA -0.207 4.463 4.740 -0.116 0.000 0.188 508 N C 1.689 176.962 175.510 -0.394 0.000 1.024 508 N CA 1.482 54.433 53.050 -0.165 0.000 0.852 508 N CB -0.100 38.165 38.487 -0.370 0.000 1.003 508 N HN 0.519 nan 8.380 nan 0.000 0.424 509 D N 0.425 120.586 120.400 -0.398 0.000 2.103 509 D HA -0.101 4.469 4.640 -0.116 0.000 0.199 509 D C 1.961 178.286 176.300 0.042 0.000 0.978 509 D CA 0.605 54.526 54.000 -0.131 0.000 0.829 509 D CB 0.022 40.851 40.800 0.047 0.000 0.981 509 D HN -0.005 nan 8.370 nan 0.000 0.464 510 S N -0.312 115.396 115.700 0.013 0.000 2.378 510 S HA -0.240 4.160 4.470 -0.116 0.000 0.229 510 S C 2.344 176.949 174.600 0.008 0.000 1.052 510 S CA 1.757 60.004 58.200 0.079 0.000 1.084 510 S CB -0.799 62.485 63.200 0.140 0.000 0.950 510 S HN 0.509 nan 8.310 nan 0.000 0.440 511 C N -0.146 119.077 119.300 -0.128 0.000 2.450 511 C HA 0.104 4.494 4.460 -0.116 0.000 0.279 511 C C 2.267 176.843 174.990 -0.689 0.000 1.335 511 C CA 0.669 59.379 59.018 -0.513 0.000 1.749 511 C CB -1.658 25.570 27.740 -0.854 0.000 1.963 511 C HN 0.802 nan 8.230 nan 0.000 0.501 512 Y N 0.146 120.203 120.300 -0.405 0.000 2.184 512 Y HA -0.092 4.388 4.550 -0.116 0.000 0.290 512 Y C 2.623 178.498 175.900 -0.042 0.000 1.129 512 Y CA 2.213 60.232 58.100 -0.135 0.000 1.144 512 Y CB -0.993 37.655 38.460 0.314 0.000 0.995 512 Y HN 0.500 nan 8.280 nan 0.000 0.513 513 H N -0.030 119.125 119.070 0.143 0.000 2.255 513 H HA -0.323 4.162 4.556 -0.118 0.000 0.290 513 H C 2.122 177.383 175.328 -0.112 0.000 1.087 513 H CA 2.533 58.598 56.048 0.029 0.000 1.213 513 H CB -0.299 29.456 29.762 -0.012 0.000 1.349 513 H HN 0.360 nan 8.280 nan 0.000 0.487 514 Q N 0.199 119.735 119.800 -0.440 0.000 2.030 514 Q HA -0.110 4.160 4.340 -0.116 0.000 0.204 514 Q C 2.530 178.323 176.000 -0.345 0.000 0.986 514 Q CA 1.579 57.044 55.803 -0.563 0.000 0.843 514 Q CB -0.351 27.743 28.738 -1.074 0.000 0.904 514 Q HN 0.418 nan 8.270 nan 0.000 0.420 515 L N -1.096 119.899 121.223 -0.381 0.000 2.095 515 L HA -0.018 4.252 4.340 -0.116 0.000 0.204 515 L C 2.101 178.930 176.870 -0.068 0.000 1.080 515 L CA 1.062 55.797 54.840 -0.175 0.000 0.759 515 L CB -0.709 41.232 42.059 -0.197 0.000 0.914 515 L HN 0.155 nan 8.230 nan 0.000 0.439 516 V N -1.901 117.860 119.914 -0.255 0.000 2.806 516 V HA 0.007 4.057 4.120 -0.116 0.000 0.239 516 V C 2.265 178.288 176.094 -0.117 0.000 1.113 516 V CA 1.021 63.178 62.300 -0.238 0.000 1.137 516 V CB 0.429 31.861 31.823 -0.651 0.000 0.865 516 V HN 0.287 nan 8.190 nan 0.000 0.482 517 S N -0.744 114.896 115.700 -0.101 0.000 2.406 517 S HA -0.140 4.261 4.470 -0.116 0.000 0.228 517 S C 1.728 176.329 174.600 0.002 0.000 1.020 517 S CA 1.397 59.621 58.200 0.040 0.000 0.965 517 S CB -0.275 63.005 63.200 0.133 0.000 0.798 517 S HN 0.723 nan 8.310 nan 0.000 0.488 518 H N -0.256 118.678 119.070 -0.227 0.000 2.283 518 H HA 0.002 4.486 4.556 -0.120 0.000 0.320 518 H C 2.015 177.389 175.328 0.077 0.000 1.074 518 H CA 0.590 56.555 56.048 -0.139 0.000 1.476 518 H CB -0.565 28.991 29.762 -0.343 0.000 1.465 518 H HN 0.457 nan 8.280 nan 0.000 0.573 519 W N 1.517 122.565 121.300 -0.420 0.000 2.248 519 W HA -0.302 4.286 4.660 -0.120 0.000 0.328 519 W C 2.387 178.790 176.519 -0.193 0.000 1.251 519 W CA 1.649 58.778 57.345 -0.360 0.000 1.178 519 W CB -0.789 28.515 29.460 -0.260 0.000 1.167 519 W HN 0.359 nan 8.180 nan 0.000 0.460 520 L N 1.867 122.900 121.223 -0.317 0.000 1.963 520 L HA -0.293 3.977 4.340 -0.116 0.000 0.220 520 L C 2.056 178.742 176.870 -0.307 0.000 1.076 520 L CA 2.812 57.400 54.840 -0.421 0.000 0.772 520 L CB -1.592 40.374 42.059 -0.154 0.000 0.892 520 L HN 0.108 nan 8.230 nan 0.000 0.435 521 N N -2.247 116.405 118.700 -0.080 0.000 2.459 521 N HA -0.113 4.558 4.740 -0.116 0.000 0.181 521 N C 1.062 176.636 175.510 0.107 0.000 1.046 521 N CA 1.113 54.231 53.050 0.114 0.000 0.904 521 N CB 0.126 38.736 38.487 0.204 0.000 0.964 521 N HN 0.686 nan 8.380 nan 0.000 0.444 522 T N -2.734 111.807 114.554 -0.022 0.000 3.518 522 T HA 0.065 4.345 4.350 -0.116 0.000 0.211 522 T C 1.538 176.135 174.700 -0.172 0.000 0.940 522 T CA -0.139 61.944 62.100 -0.028 0.000 1.307 522 T CB -0.372 68.523 68.868 0.044 0.000 1.392 522 T HN 0.008 nan 8.240 nan 0.000 0.382 523 H N 1.814 120.672 119.070 -0.353 0.000 2.255 523 H HA -0.107 4.380 4.556 -0.114 0.000 0.290 523 H C 2.623 177.586 175.328 -0.608 0.000 1.087 523 H CA 2.292 58.053 56.048 -0.478 0.000 1.213 523 H CB -0.557 28.842 29.762 -0.606 0.000 1.349 523 H HN 0.577 nan 8.280 nan 0.000 0.487 524 A N 0.291 122.597 122.820 -0.856 0.000 1.970 524 A HA -0.014 4.236 4.320 -0.116 0.000 0.216 524 A C 2.672 179.963 177.584 -0.489 0.000 1.170 524 A CA 1.037 52.565 52.037 -0.848 0.000 0.645 524 A CB -0.465 17.742 19.000 -1.322 0.000 0.816 524 A HN 0.233 nan 8.150 nan 0.000 0.447 525 V N -0.631 119.058 119.914 -0.376 0.000 3.129 525 V HA -0.082 3.968 4.120 -0.116 0.000 0.259 525 V C 2.250 178.519 176.094 0.292 0.000 1.116 525 V CA 1.284 63.510 62.300 -0.123 0.000 1.127 525 V CB 0.383 32.079 31.823 -0.211 0.000 0.742 525 V HN 0.353 nan 8.190 nan 0.000 0.474 526 V N -0.575 119.435 119.914 0.160 0.000 2.599 526 V HA -0.126 3.924 4.120 -0.116 0.000 0.245 526 V C 2.240 178.431 176.094 0.162 0.000 1.046 526 V CA 1.656 64.116 62.300 0.266 0.000 1.065 526 V CB -0.020 31.848 31.823 0.074 0.000 0.703 526 V HN 0.628 nan 8.190 nan 0.000 0.464 527 E N 0.563 120.759 120.200 -0.008 0.000 2.113 527 E HA -0.292 3.989 4.350 -0.116 0.000 0.210 527 E C -0.391 176.188 176.600 -0.035 0.000 1.040 527 E CA 2.628 58.994 56.400 -0.057 0.000 0.847 527 E CB -0.887 28.773 29.700 -0.067 0.000 0.755 527 E HN 0.446 nan 8.360 nan 0.000 0.459 528 P HA -0.154 nan 4.420 nan 0.000 0.215 528 P C 0.830 178.105 177.300 -0.042 0.000 1.153 528 P CA 1.482 64.568 63.100 -0.023 0.000 0.853 528 P CB -0.174 31.364 31.700 -0.271 0.000 0.788 529 F N -0.938 119.083 119.950 0.120 0.000 2.115 529 F HA -0.204 4.254 4.527 -0.116 0.000 0.300 529 F C 2.292 178.052 175.800 -0.066 0.000 1.092 529 F CA 1.256 59.322 58.000 0.110 0.000 1.245 529 F CB -1.357 37.771 39.000 0.213 0.000 0.995 529 F HN -0.116 nan 8.300 nan 0.000 0.481 530 I N -0.362 120.073 120.570 -0.224 0.000 2.252 530 I HA -0.262 3.838 4.170 -0.116 0.000 0.245 530 I C 2.282 178.350 176.117 -0.081 0.000 1.102 530 I CA 1.243 62.229 61.300 -0.522 0.000 1.385 530 I CB -0.514 37.142 38.000 -0.574 0.000 1.064 530 I HN 0.092 nan 8.210 nan 0.000 0.414 531 I N 1.072 121.617 120.570 -0.040 0.000 2.142 531 I HA -0.294 3.806 4.170 -0.116 0.000 0.240 531 I C 2.887 179.019 176.117 0.025 0.000 1.078 531 I CA 1.486 62.757 61.300 -0.048 0.000 1.343 531 I CB -0.569 37.178 38.000 -0.422 0.000 1.046 531 I HN 0.170 nan 8.210 nan 0.000 0.405 532 A N 0.508 123.429 122.820 0.169 0.000 1.883 532 A HA -0.249 4.002 4.320 -0.116 0.000 0.217 532 A C 2.400 180.132 177.584 0.248 0.000 1.186 532 A CA 2.708 54.908 52.037 0.272 0.000 0.624 532 A CB -1.302 17.820 19.000 0.204 0.000 0.822 532 A HN 0.417 nan 8.150 nan 0.000 0.444 533 T N 0.792 115.500 114.554 0.257 0.000 2.665 533 T HA -0.171 4.110 4.350 -0.116 0.000 0.268 533 T C 1.709 176.547 174.700 0.230 0.000 1.035 533 T CA 1.633 63.908 62.100 0.292 0.000 1.151 533 T CB -0.470 68.661 68.868 0.439 0.000 0.862 533 T HN 0.567 nan 8.240 nan 0.000 0.438 534 N N 0.394 119.138 118.700 0.072 0.000 2.457 534 N HA 0.059 4.729 4.740 -0.116 0.000 0.180 534 N C 1.929 177.325 175.510 -0.190 0.000 1.050 534 N CA 0.462 53.434 53.050 -0.130 0.000 0.906 534 N CB 0.055 38.034 38.487 -0.846 0.000 0.968 534 N HN 0.373 nan 8.380 nan 0.000 0.445 535 R N -0.564 119.863 120.500 -0.122 0.000 2.223 535 R HA 0.114 4.385 4.340 -0.116 0.000 0.198 535 R C 0.959 177.000 176.300 -0.433 0.000 0.984 535 R CA 0.600 56.557 56.100 -0.238 0.000 1.018 535 R CB 0.281 30.460 30.300 -0.202 0.000 0.945 535 R HN 0.287 nan 8.270 nan 0.000 0.479 536 H N -1.661 117.453 119.070 0.073 0.000 3.255 536 H HA 0.203 4.690 4.556 -0.116 0.000 0.256 536 H C -0.510 174.849 175.328 0.052 0.000 1.049 536 H CA -0.030 56.059 56.048 0.068 0.000 1.202 536 H CB 1.012 30.818 29.762 0.074 0.000 1.497 536 H HN -0.088 nan 8.280 nan 0.000 0.503 537 L N 1.691 123.006 121.223 0.154 0.000 2.287 537 L HA 0.246 4.516 4.340 -0.116 0.000 0.287 537 L C 0.789 177.686 176.870 0.045 0.000 1.022 537 L CA -0.354 54.544 54.840 0.096 0.000 0.814 537 L CB 1.638 43.783 42.059 0.143 0.000 1.217 537 L HN -0.018 nan 8.230 nan 0.000 0.420 538 S N 1.928 117.610 115.700 -0.030 0.000 2.589 538 S HA 0.153 4.553 4.470 -0.116 0.000 0.265 538 S C 1.553 175.832 174.600 -0.536 0.000 1.342 538 S CA -0.100 57.966 58.200 -0.223 0.000 1.005 538 S CB 0.857 63.928 63.200 -0.214 0.000 0.909 538 S HN 0.493 nan 8.310 nan 0.000 0.555 539 V N 2.186 121.667 119.914 -0.721 0.000 2.867 539 V HA -0.013 4.037 4.120 -0.116 0.000 0.260 539 V C 1.856 177.668 176.094 -0.470 0.000 1.099 539 V CA 1.489 63.191 62.300 -0.996 0.000 1.122 539 V CB -1.012 30.529 31.823 -0.471 0.000 0.708 539 V HN 0.627 nan 8.190 nan 0.000 0.490 540 V N -0.372 119.340 119.914 -0.337 0.000 3.052 540 V HA 0.102 4.153 4.120 -0.116 0.000 0.254 540 V C 1.344 177.381 176.094 -0.096 0.000 1.100 540 V CA 0.623 62.807 62.300 -0.192 0.000 1.112 540 V CB -0.778 30.865 31.823 -0.300 0.000 0.738 540 V HN 0.723 nan 8.190 nan 0.000 0.469 541 H N 1.924 120.913 119.070 -0.135 0.000 2.848 541 H HA 0.088 4.574 4.556 -0.117 0.000 0.341 541 H C -1.211 174.087 175.328 -0.049 0.000 1.060 541 H CA -1.176 54.829 56.048 -0.071 0.000 1.444 541 H CB 1.448 31.219 29.762 0.015 0.000 1.446 541 H HN 0.016 nan 8.280 nan 0.000 0.583 542 P HA -0.205 nan 4.420 nan 0.000 0.218 542 P C 1.130 178.598 177.300 0.279 0.000 1.148 542 P CA 1.200 64.166 63.100 -0.222 0.000 0.822 542 P CB 0.382 31.324 31.700 -1.263 0.000 0.784 543 I N -2.102 118.748 120.570 0.466 0.000 2.584 543 I HA -0.145 3.955 4.170 -0.116 0.000 0.255 543 I C 2.528 178.790 176.117 0.241 0.000 1.145 543 I CA 0.772 62.278 61.300 0.343 0.000 1.462 543 I CB -1.409 36.761 38.000 0.282 0.000 1.102 543 I HN -0.096 nan 8.210 nan 0.000 0.433 544 Y N 2.722 123.111 120.300 0.147 0.000 2.165 544 Y HA -0.253 4.228 4.550 -0.114 0.000 0.286 544 Y C 2.535 178.493 175.900 0.096 0.000 1.155 544 Y CA 1.925 60.086 58.100 0.101 0.000 1.164 544 Y CB -0.052 38.460 38.460 0.086 0.000 0.978 544 Y HN 0.033 nan 8.280 nan 0.000 0.513 545 K N -0.617 120.013 120.400 0.383 0.000 2.103 545 K HA -0.123 4.127 4.320 -0.116 0.000 0.204 545 K C 1.933 178.578 176.600 0.075 0.000 1.052 545 K CA 1.134 57.617 56.287 0.328 0.000 0.945 545 K CB -0.417 32.387 32.500 0.507 0.000 0.722 545 K HN 0.273 nan 8.250 nan 0.000 0.443 546 L N 1.279 122.524 121.223 0.037 0.000 1.989 546 L HA -0.188 4.082 4.340 -0.116 0.000 0.211 546 L C 1.897 178.708 176.870 -0.099 0.000 1.071 546 L CA 1.695 56.405 54.840 -0.216 0.000 0.749 546 L CB -0.421 41.499 42.059 -0.232 0.000 0.890 546 L HN 0.051 nan 8.230 nan 0.000 0.431 547 L N -1.035 120.110 121.223 -0.131 0.000 2.131 547 L HA -0.138 4.133 4.340 -0.116 0.000 0.206 547 L C 2.605 179.114 176.870 -0.602 0.000 1.087 547 L CA 1.606 56.271 54.840 -0.292 0.000 0.767 547 L CB -1.491 40.376 42.059 -0.319 0.000 0.917 547 L HN 0.493 nan 8.230 nan 0.000 0.441 548 H N 0.673 119.349 119.070 -0.657 0.000 2.390 548 H HA -0.118 4.373 4.556 -0.110 0.000 0.298 548 H C -0.658 174.450 175.328 -0.367 0.000 1.106 548 H CA 1.663 57.334 56.048 -0.629 0.000 1.297 548 H CB -0.404 29.072 29.762 -0.477 0.000 1.375 548 H HN 0.208 nan 8.280 nan 0.000 0.509 549 P HA -0.150 nan 4.420 nan 0.000 0.216 549 P C 0.830 177.819 177.300 -0.517 0.000 1.150 549 P CA 1.418 64.223 63.100 -0.491 0.000 0.837 549 P CB -0.338 30.969 31.700 -0.655 0.000 0.786 550 H N -2.655 116.270 119.070 -0.240 0.000 2.566 550 H HA 0.082 4.577 4.556 -0.102 0.000 0.280 550 H C 0.433 175.828 175.328 0.112 0.000 1.042 550 H CA 0.514 56.512 56.048 -0.082 0.000 1.168 550 H CB -0.047 29.686 29.762 -0.049 0.000 1.340 550 H HN 0.236 nan 8.280 nan 0.000 0.597 551 Y N 0.030 120.242 120.300 -0.147 0.000 2.527 551 Y HA 0.129 4.605 4.550 -0.122 0.000 0.247 551 Y C 1.290 177.072 175.900 -0.197 0.000 1.138 551 Y CA -0.754 57.266 58.100 -0.133 0.000 1.228 551 Y CB 0.336 38.712 38.460 -0.141 0.000 1.252 551 Y HN 0.030 nan 8.280 nan 0.000 0.531 552 R N 2.061 122.457 120.500 -0.173 0.000 2.446 552 R HA -0.026 4.244 4.340 -0.116 0.000 0.314 552 R C -0.109 175.964 176.300 -0.378 0.000 1.003 552 R CA 1.047 56.886 56.100 -0.436 0.000 1.018 552 R CB -0.161 29.747 30.300 -0.652 0.000 0.945 552 R HN 0.326 nan 8.270 nan 0.000 0.419 553 D N 1.775 122.037 120.400 -0.230 0.000 2.946 553 D HA -0.169 4.401 4.640 -0.116 0.000 0.202 553 D C 0.534 176.843 176.300 0.016 0.000 1.068 553 D CA 2.063 56.046 54.000 -0.029 0.000 1.011 553 D CB -0.698 40.033 40.800 -0.115 0.000 1.105 553 D HN 0.767 nan 8.370 nan 0.000 0.425 554 T N -0.627 113.911 114.554 -0.027 0.000 2.684 554 T HA -0.159 4.121 4.350 -0.116 0.000 0.267 554 T C 2.005 176.720 174.700 0.025 0.000 1.036 554 T CA 1.672 63.751 62.100 -0.036 0.000 1.148 554 T CB -0.222 68.595 68.868 -0.086 0.000 0.863 554 T HN 0.327 nan 8.240 nan 0.000 0.436 555 M N 1.093 120.706 119.600 0.022 0.000 2.358 555 M HA -0.072 4.339 4.480 -0.116 0.000 0.264 555 M C 2.216 178.538 176.300 0.036 0.000 1.064 555 M CA 1.023 56.331 55.300 0.013 0.000 1.093 555 M CB -0.358 32.226 32.600 -0.027 0.000 1.401 555 M HN 0.175 nan 8.290 nan 0.000 0.440 556 N N 1.026 119.770 118.700 0.073 0.000 2.251 556 N HA -0.084 4.587 4.740 -0.116 0.000 0.181 556 N C 1.383 176.968 175.510 0.124 0.000 1.019 556 N CA 0.775 53.882 53.050 0.094 0.000 0.862 556 N CB -0.052 38.521 38.487 0.142 0.000 0.992 556 N HN 0.201 nan 8.380 nan 0.000 0.429 557 I N 0.598 121.257 120.570 0.148 0.000 2.567 557 I HA -0.088 4.012 4.170 -0.116 0.000 0.257 557 I C 0.877 177.130 176.117 0.228 0.000 1.184 557 I CA 1.145 62.562 61.300 0.196 0.000 1.451 557 I CB -0.330 37.825 38.000 0.258 0.000 1.089 557 I HN 0.136 nan 8.210 nan 0.000 0.441 558 N N 0.287 119.121 118.700 0.224 0.000 2.409 558 N HA 0.091 4.761 4.740 -0.116 0.000 0.174 558 N C 1.850 177.477 175.510 0.195 0.000 1.037 558 N CA 1.085 54.312 53.050 0.295 0.000 0.898 558 N CB -0.581 38.081 38.487 0.293 0.000 1.010 558 N HN 0.440 nan 8.380 nan 0.000 0.445 559 G N 0.796 109.655 108.800 0.097 0.000 2.448 559 G HA2 -0.124 3.767 3.960 -0.116 0.000 0.218 559 G HA3 -0.124 3.767 3.960 -0.116 0.000 0.218 559 G C 1.558 176.479 174.900 0.036 0.000 1.135 559 G CA 0.207 45.331 45.100 0.041 0.000 0.784 559 G HN 0.237 nan 8.290 nan 0.000 0.543 560 L N 1.018 122.274 121.223 0.056 0.000 2.056 560 L HA 0.202 4.473 4.340 -0.116 0.000 0.207 560 L C 3.011 179.883 176.870 0.004 0.000 1.078 560 L CA 2.061 56.924 54.840 0.037 0.000 0.749 560 L CB -0.338 41.762 42.059 0.067 0.000 0.901 560 L HN 0.182 nan 8.230 nan 0.000 0.433 561 A N -0.285 122.544 122.820 0.015 0.000 1.898 561 A HA -0.168 4.082 4.320 -0.116 0.000 0.216 561 A C 2.360 179.863 177.584 -0.135 0.000 1.181 561 A CA 1.501 53.476 52.037 -0.105 0.000 0.620 561 A CB -0.538 18.361 19.000 -0.168 0.000 0.819 561 A HN 0.492 nan 8.150 nan 0.000 0.442 562 R N -1.077 119.410 120.500 -0.022 0.000 2.096 562 R HA -0.109 4.161 4.340 -0.116 0.000 0.235 562 R C 2.077 178.350 176.300 -0.045 0.000 1.127 562 R CA 1.441 57.534 56.100 -0.012 0.000 0.968 562 R CB -0.612 29.705 30.300 0.028 0.000 0.861 562 R HN 0.520 nan 8.270 nan 0.000 0.440 563 L N 0.171 121.370 121.223 -0.040 0.000 2.044 563 L HA -0.039 4.231 4.340 -0.116 0.000 0.205 563 L C 1.426 178.258 176.870 -0.064 0.000 1.075 563 L CA 1.908 56.719 54.840 -0.047 0.000 0.747 563 L CB 0.118 42.156 42.059 -0.035 0.000 0.903 563 L HN -0.037 nan 8.230 nan 0.000 0.435 564 S N -2.048 113.610 115.700 -0.071 0.000 2.649 564 S HA 0.260 4.660 4.470 -0.116 0.000 0.246 564 S C 1.207 175.751 174.600 -0.094 0.000 1.057 564 S CA -0.288 57.868 58.200 -0.073 0.000 1.051 564 S CB 0.539 63.706 63.200 -0.054 0.000 1.018 564 S HN 0.146 nan 8.310 nan 0.000 0.569 565 L N 0.340 121.480 121.223 -0.139 0.000 2.547 565 L HA 0.443 4.714 4.340 -0.116 0.000 0.218 565 L C 1.483 178.200 176.870 -0.254 0.000 1.048 565 L CA 0.849 55.585 54.840 -0.174 0.000 0.859 565 L CB -0.403 41.543 42.059 -0.189 0.000 1.128 565 L HN 0.228 nan 8.230 nan 0.000 0.483 566 V N 0.552 120.260 119.914 -0.344 0.000 3.214 566 V HA 0.179 4.230 4.120 -0.116 0.000 0.330 566 V C 0.403 176.335 176.094 -0.270 0.000 1.403 566 V CA -0.079 61.943 62.300 -0.463 0.000 1.143 566 V CB -0.424 30.825 31.823 -0.957 0.000 1.098 566 V HN 0.591 nan 8.190 nan 0.000 0.463 567 N N -0.758 117.831 118.700 -0.184 0.000 2.478 567 N HA 0.270 4.940 4.740 -0.116 0.000 0.275 567 N C -0.301 175.146 175.510 -0.105 0.000 1.221 567 N CA -0.643 52.332 53.050 -0.125 0.000 0.979 567 N CB 0.695 39.122 38.487 -0.100 0.000 1.202 567 N HN 0.230 nan 8.380 nan 0.000 0.564 568 D N -1.188 119.164 120.400 -0.080 0.000 2.401 568 D HA 0.255 4.825 4.640 -0.116 0.000 0.254 568 D C 1.060 177.332 176.300 -0.046 0.000 1.192 568 D CA 0.217 54.188 54.000 -0.049 0.000 0.885 568 D CB -0.033 40.768 40.800 0.002 0.000 1.147 568 D HN 0.919 nan 8.370 nan 0.000 0.478 569 G N 2.381 111.161 108.800 -0.033 0.000 2.153 569 G HA2 -0.190 3.700 3.960 -0.116 0.000 0.252 569 G HA3 -0.190 3.700 3.960 -0.116 0.000 0.252 569 G C 0.679 175.553 174.900 -0.043 0.000 0.994 569 G CA 0.055 45.141 45.100 -0.024 0.000 0.698 569 G HN 0.956 nan 8.290 nan 0.000 0.521 570 G N -1.305 107.458 108.800 -0.061 0.000 2.508 570 G HA2 0.539 4.429 3.960 -0.116 0.000 0.278 570 G HA3 0.539 4.429 3.960 -0.116 0.000 0.278 570 G C 1.424 176.293 174.900 -0.052 0.000 1.389 570 G CA 0.831 45.892 45.100 -0.066 0.000 1.050 570 G HN 1.307 nan 8.290 nan 0.000 0.522 571 V N -1.041 118.844 119.914 -0.048 0.000 2.788 571 V HA 0.091 4.141 4.120 -0.116 0.000 0.251 571 V C 2.334 178.440 176.094 0.020 0.000 1.068 571 V CA 1.128 63.413 62.300 -0.027 0.000 1.090 571 V CB -0.548 31.262 31.823 -0.022 0.000 0.710 571 V HN 0.592 nan 8.190 nan 0.000 0.467 572 I N 0.181 120.763 120.570 0.020 0.000 2.353 572 I HA -0.127 3.974 4.170 -0.116 0.000 0.248 572 I C 2.705 178.882 176.117 0.100 0.000 1.119 572 I CA 1.713 63.091 61.300 0.130 0.000 1.417 572 I CB -0.240 37.730 38.000 -0.050 0.000 1.078 572 I HN 0.384 nan 8.210 nan 0.000 0.421 573 E N 0.464 120.661 120.200 -0.005 0.000 2.038 573 E HA -0.275 4.005 4.350 -0.116 0.000 0.195 573 E C 2.056 178.651 176.600 -0.008 0.000 1.000 573 E CA 1.193 57.584 56.400 -0.014 0.000 0.803 573 E CB -0.028 29.640 29.700 -0.054 0.000 0.750 573 E HN 0.485 nan 8.360 nan 0.000 0.448 574 Q N -0.661 119.122 119.800 -0.028 0.000 2.472 574 Q HA -0.027 4.244 4.340 -0.116 0.000 0.208 574 Q C 1.296 177.234 176.000 -0.104 0.000 0.958 574 Q CA 0.783 56.557 55.803 -0.048 0.000 0.932 574 Q CB 0.510 29.228 28.738 -0.034 0.000 1.007 574 Q HN 0.196 nan 8.270 nan 0.000 0.508 575 T N -0.652 113.817 114.554 -0.141 0.000 3.038 575 T HA 0.142 4.422 4.350 -0.116 0.000 0.244 575 T C 0.043 174.428 174.700 -0.525 0.000 1.016 575 T CA 0.276 62.140 62.100 -0.393 0.000 1.098 575 T CB 0.256 68.780 68.868 -0.572 0.000 0.954 575 T HN -0.039 nan 8.240 nan 0.000 0.469 576 F N 0.092 119.981 119.950 -0.102 0.000 2.518 576 F HA 0.468 4.926 4.527 -0.117 0.000 0.338 576 F C 1.051 176.783 175.800 -0.113 0.000 1.065 576 F CA -1.186 56.733 58.000 -0.135 0.000 1.012 576 F CB 0.623 39.505 39.000 -0.195 0.000 1.297 576 F HN -0.219 nan 8.300 nan 0.000 0.489 577 L N 0.944 122.200 121.223 0.055 0.000 2.013 577 L HA -0.212 4.058 4.340 -0.116 0.000 0.212 577 L C 1.722 178.752 176.870 0.267 0.000 1.073 577 L CA 1.945 56.835 54.840 0.082 0.000 0.753 577 L CB -0.570 41.531 42.059 0.070 0.000 0.890 577 L HN 0.589 nan 8.230 nan 0.000 0.432 578 W N 0.062 121.430 121.300 0.114 0.000 2.699 578 W HA 0.288 4.879 4.660 -0.114 0.000 0.249 578 W C 1.761 178.348 176.519 0.113 0.000 1.280 578 W CA 0.791 58.200 57.345 0.106 0.000 1.345 578 W CB -1.879 27.616 29.460 0.058 0.000 1.128 578 W HN 0.390 nan 8.180 nan 0.000 0.642 579 G N 1.853 110.800 108.800 0.245 0.000 2.583 579 G HA2 -0.452 3.438 3.960 -0.116 0.000 0.292 579 G HA3 -0.452 3.438 3.960 -0.116 0.000 0.292 579 G C 1.175 176.079 174.900 0.008 0.000 1.203 579 G CA 1.554 46.717 45.100 0.105 0.000 0.987 579 G HN 0.372 nan 8.290 nan 0.000 0.554 580 R N -0.379 120.025 120.500 -0.160 0.000 2.285 580 R HA 0.125 4.395 4.340 -0.116 0.000 0.213 580 R C 1.941 178.013 176.300 -0.380 0.000 1.068 580 R CA 2.345 58.251 56.100 -0.323 0.000 1.004 580 R CB -0.338 29.683 30.300 -0.464 0.000 0.873 580 R HN 0.587 nan 8.270 nan 0.000 0.467 581 Y N 0.549 120.854 120.300 0.008 0.000 2.457 581 Y HA 0.328 4.808 4.550 -0.116 0.000 0.263 581 Y C 1.889 177.713 175.900 -0.127 0.000 1.164 581 Y CA -0.164 57.872 58.100 -0.107 0.000 1.274 581 Y CB 0.492 38.842 38.460 -0.184 0.000 1.097 581 Y HN 0.057 nan 8.280 nan 0.000 0.523 582 S N -0.056 115.719 115.700 0.125 0.000 2.353 582 S HA -0.177 4.223 4.470 -0.116 0.000 0.222 582 S C 2.148 176.811 174.600 0.106 0.000 1.035 582 S CA 1.852 60.196 58.200 0.239 0.000 1.025 582 S CB -0.659 62.612 63.200 0.119 0.000 0.902 582 S HN 0.310 nan 8.310 nan 0.000 0.440 583 V N 3.097 122.966 119.914 -0.075 0.000 2.427 583 V HA -0.169 3.881 4.120 -0.116 0.000 0.248 583 V C 2.565 178.507 176.094 -0.254 0.000 1.051 583 V CA 1.805 64.003 62.300 -0.170 0.000 1.048 583 V CB -1.081 30.573 31.823 -0.283 0.000 0.666 583 V HN 0.681 nan 8.190 nan 0.000 0.456 584 E N 0.467 120.458 120.200 -0.349 0.000 2.204 584 E HA -0.221 4.060 4.350 -0.116 0.000 0.194 584 E C 2.103 178.570 176.600 -0.221 0.000 0.989 584 E CA 1.406 57.471 56.400 -0.559 0.000 0.824 584 E CB -0.406 28.742 29.700 -0.920 0.000 0.756 584 E HN 0.534 nan 8.360 nan 0.000 0.477 585 M N 1.809 121.295 119.600 -0.190 0.000 2.229 585 M HA -0.116 4.295 4.480 -0.116 0.000 0.264 585 M C 2.480 178.814 176.300 0.056 0.000 1.063 585 M CA 1.840 57.020 55.300 -0.200 0.000 1.114 585 M CB -0.095 32.141 32.600 -0.606 0.000 1.387 585 M HN 0.246 nan 8.290 nan 0.000 0.420 586 S N 0.257 116.071 115.700 0.189 0.000 2.406 586 S HA 0.017 4.418 4.470 -0.116 0.000 0.228 586 S C 2.087 176.907 174.600 0.367 0.000 1.020 586 S CA 0.738 59.112 58.200 0.290 0.000 0.965 586 S CB -0.560 62.846 63.200 0.344 0.000 0.798 586 S HN 0.433 nan 8.310 nan 0.000 0.488 587 A N 2.114 125.140 122.820 0.343 0.000 1.858 587 A HA 0.020 4.271 4.320 -0.116 0.000 0.216 587 A C 2.431 180.295 177.584 0.466 0.000 1.190 587 A CA 1.837 54.149 52.037 0.458 0.000 0.617 587 A CB -1.346 17.751 19.000 0.162 0.000 0.827 587 A HN 0.442 nan 8.150 nan 0.000 0.443 588 V N -0.200 119.961 119.914 0.411 0.000 2.324 588 V HA -0.260 3.790 4.120 -0.116 0.000 0.250 588 V C 2.499 178.764 176.094 0.285 0.000 1.060 588 V CA 2.074 64.580 62.300 0.343 0.000 1.042 588 V CB -0.941 31.062 31.823 0.301 0.000 0.650 588 V HN 0.363 nan 8.190 nan 0.000 0.450 589 V N -1.029 119.048 119.914 0.271 0.000 2.626 589 V HA -0.251 3.799 4.120 -0.116 0.000 0.252 589 V C 2.181 178.467 176.094 0.321 0.000 1.067 589 V CA 1.911 64.376 62.300 0.275 0.000 1.081 589 V CB -0.882 31.096 31.823 0.257 0.000 0.686 589 V HN 0.690 nan 8.190 nan 0.000 0.468 590 Y N 1.391 121.815 120.300 0.208 0.000 2.403 590 Y HA -0.198 4.283 4.550 -0.116 0.000 0.291 590 Y C 2.279 178.338 175.900 0.266 0.000 1.143 590 Y CA 1.333 59.547 58.100 0.190 0.000 1.257 590 Y CB -0.276 38.230 38.460 0.077 0.000 0.984 590 Y HN 0.218 nan 8.280 nan 0.000 0.550 591 K N -0.136 120.379 120.400 0.192 0.000 2.074 591 K HA -0.201 4.049 4.320 -0.116 0.000 0.209 591 K C 0.979 177.630 176.600 0.086 0.000 1.048 591 K CA 1.795 58.145 56.287 0.106 0.000 0.926 591 K CB -0.171 32.422 32.500 0.155 0.000 0.713 591 K HN 0.325 nan 8.250 nan 0.000 0.444 592 D N -1.024 119.453 120.400 0.127 0.000 2.328 592 D HA -0.040 4.530 4.640 -0.116 0.000 0.226 592 D C -0.360 175.974 176.300 0.057 0.000 1.066 592 D CA 0.079 54.132 54.000 0.087 0.000 0.861 592 D CB -0.257 40.604 40.800 0.102 0.000 0.912 592 D HN 0.227 nan 8.370 nan 0.000 0.521 593 W N 2.392 123.614 121.300 -0.131 0.000 2.388 593 W HA 0.273 4.862 4.660 -0.118 0.000 0.308 593 W C -0.275 176.008 176.519 -0.394 0.000 1.263 593 W CA -0.775 56.472 57.345 -0.164 0.000 1.286 593 W CB 0.645 30.092 29.460 -0.021 0.000 1.294 593 W HN -0.250 nan 8.180 nan 0.000 0.493 594 V N 8.788 128.104 119.914 -0.998 0.000 2.378 594 V HA 0.273 4.323 4.120 -0.116 0.000 0.288 594 V C 0.679 175.649 176.094 -1.874 0.000 1.016 594 V CA -0.775 60.440 62.300 -1.807 0.000 0.840 594 V CB 0.763 31.382 31.823 -2.007 0.000 0.994 594 V HN 0.725 nan 8.190 nan 0.000 0.431 595 F N 4.945 123.482 119.950 -2.354 0.000 2.082 595 F HA -0.242 4.214 4.527 -0.118 0.000 0.298 595 F C 2.245 177.621 175.800 -0.707 0.000 1.091 595 F CA 3.182 60.329 58.000 -1.422 0.000 1.230 595 F CB -0.387 38.216 39.000 -0.662 0.000 0.983 595 F HN 0.752 nan 8.300 nan 0.000 0.485 596 T N -3.553 110.591 114.554 -0.684 0.000 3.067 596 T HA -0.033 4.247 4.350 -0.116 0.000 0.261 596 T C 1.280 175.678 174.700 -0.503 0.000 1.110 596 T CA 0.933 62.743 62.100 -0.483 0.000 1.113 596 T CB -0.375 68.382 68.868 -0.184 0.000 0.917 596 T HN 0.155 nan 8.240 nan 0.000 0.499 597 D N 1.302 121.336 120.400 -0.609 0.000 2.349 597 D HA 0.056 4.626 4.640 -0.116 0.000 0.224 597 D C 1.923 177.955 176.300 -0.447 0.000 1.029 597 D CA 0.203 53.911 54.000 -0.487 0.000 0.879 597 D CB 0.010 40.533 40.800 -0.461 0.000 0.906 597 D HN 0.368 nan 8.370 nan 0.000 0.528 598 Q N 0.224 119.720 119.800 -0.506 0.000 2.389 598 Q HA 0.124 4.395 4.340 -0.116 0.000 0.204 598 Q C 0.724 176.509 176.000 -0.358 0.000 0.944 598 Q CA 0.128 55.745 55.803 -0.310 0.000 0.908 598 Q CB -0.095 28.512 28.738 -0.219 0.000 1.002 598 Q HN 0.162 nan 8.270 nan 0.000 0.493 599 A N 1.578 124.064 122.820 -0.557 0.000 2.524 599 A HA 0.057 4.307 4.320 -0.116 0.000 0.250 599 A C 1.239 178.112 177.584 -1.185 0.000 1.078 599 A CA -0.153 51.284 52.037 -1.001 0.000 0.761 599 A CB 0.045 18.598 19.000 -0.745 0.000 1.012 599 A HN 0.292 nan 8.150 nan 0.000 0.500 600 L N 4.658 124.813 121.223 -1.780 0.000 2.013 600 L HA -0.093 4.177 4.340 -0.116 0.000 0.212 600 L C -0.732 175.579 176.870 -0.932 0.000 1.073 600 L CA 2.642 56.734 54.840 -1.247 0.000 0.753 600 L CB -1.064 40.130 42.059 -1.442 0.000 0.890 600 L HN 0.537 nan 8.230 nan 0.000 0.432 601 P HA -0.196 nan 4.420 nan 0.000 0.216 601 P C 1.472 178.514 177.300 -0.430 0.000 1.153 601 P CA 2.146 64.885 63.100 -0.601 0.000 0.858 601 P CB -0.203 31.193 31.700 -0.506 0.000 0.789 602 A N -0.362 122.185 122.820 -0.455 0.000 1.929 602 A HA -0.209 4.042 4.320 -0.116 0.000 0.216 602 A C 2.170 179.593 177.584 -0.268 0.000 1.176 602 A CA 1.988 53.835 52.037 -0.316 0.000 0.628 602 A CB -1.566 17.244 19.000 -0.317 0.000 0.816 602 A HN 0.189 nan 8.150 nan 0.000 0.444 603 D N -0.517 119.700 120.400 -0.306 0.000 2.117 603 D HA -0.148 4.422 4.640 -0.116 0.000 0.197 603 D C 1.592 177.821 176.300 -0.119 0.000 0.987 603 D CA 1.114 55.000 54.000 -0.190 0.000 0.829 603 D CB -0.141 40.561 40.800 -0.164 0.000 0.961 603 D HN 0.195 nan 8.370 nan 0.000 0.460 604 L N 0.318 121.443 121.223 -0.164 0.000 2.156 604 L HA 0.088 4.359 4.340 -0.116 0.000 0.208 604 L C 2.237 179.072 176.870 -0.058 0.000 1.095 604 L CA 1.029 55.813 54.840 -0.093 0.000 0.770 604 L CB -0.514 41.445 42.059 -0.166 0.000 0.914 604 L HN 0.283 nan 8.230 nan 0.000 0.439 605 I N -1.302 119.206 120.570 -0.102 0.000 2.400 605 I HA -0.218 3.883 4.170 -0.116 0.000 0.248 605 I C 2.474 178.557 176.117 -0.056 0.000 1.109 605 I CA 0.617 61.872 61.300 -0.076 0.000 1.425 605 I CB -0.189 37.750 38.000 -0.101 0.000 1.094 605 I HN 0.211 nan 8.210 nan 0.000 0.425 606 K N 1.429 121.784 120.400 -0.075 0.000 2.057 606 K HA -0.162 4.088 4.320 -0.116 0.000 0.207 606 K C 2.056 178.639 176.600 -0.028 0.000 1.049 606 K CA 1.528 57.777 56.287 -0.063 0.000 0.931 606 K CB 0.020 32.466 32.500 -0.091 0.000 0.714 606 K HN 0.204 nan 8.250 nan 0.000 0.440 607 R N -0.982 119.512 120.500 -0.009 0.000 2.313 607 R HA 0.025 4.295 4.340 -0.116 0.000 0.199 607 R C 0.971 177.304 176.300 0.055 0.000 0.958 607 R CA 0.556 56.673 56.100 0.029 0.000 1.047 607 R CB 0.209 30.544 30.300 0.059 0.000 0.955 607 R HN 0.495 nan 8.270 nan 0.000 0.481 608 G N 0.698 109.520 108.800 0.037 0.000 2.153 608 G HA2 -0.258 3.632 3.960 -0.116 0.000 0.252 608 G HA3 -0.258 3.632 3.960 -0.116 0.000 0.252 608 G C 0.710 175.677 174.900 0.113 0.000 0.994 608 G CA 0.259 45.388 45.100 0.048 0.000 0.698 608 G HN 0.128 nan 8.290 nan 0.000 0.521 609 M N -0.228 119.458 119.600 0.143 0.000 2.561 609 M HA 0.551 4.961 4.480 -0.116 0.000 0.238 609 M C 1.075 177.456 176.300 0.135 0.000 1.131 609 M CA 0.751 56.182 55.300 0.219 0.000 1.046 609 M CB -0.667 32.112 32.600 0.299 0.000 1.532 609 M HN 1.169 nan 8.290 nan 0.000 0.497 610 A N 0.185 123.041 122.820 0.061 0.000 2.604 610 A HA 0.775 5.026 4.320 -0.116 0.000 0.295 610 A C -1.409 176.173 177.584 -0.004 0.000 1.067 610 A CA -0.694 51.352 52.037 0.015 0.000 0.683 610 A CB 1.883 20.858 19.000 -0.041 0.000 1.281 610 A HN 0.219 nan 8.150 nan 0.000 0.407 611 I N 0.199 120.765 120.570 -0.007 0.000 2.730 611 I HA 0.456 4.556 4.170 -0.116 0.000 0.298 611 I C -0.254 175.851 176.117 -0.021 0.000 1.089 611 I CA -0.514 60.778 61.300 -0.013 0.000 1.041 611 I CB 1.951 39.950 38.000 -0.001 0.000 1.235 611 I HN 0.898 nan 8.210 nan 0.000 0.423 612 E N 5.138 125.321 120.200 -0.027 0.000 2.417 612 E HA 0.025 4.305 4.350 -0.116 0.000 0.261 612 E C -1.096 175.494 176.600 -0.015 0.000 1.000 612 E CA 0.602 56.987 56.400 -0.025 0.000 0.919 612 E CB 0.444 30.127 29.700 -0.028 0.000 0.955 612 E HN 0.334 nan 8.360 nan 0.000 0.455 613 D N 5.451 125.843 120.400 -0.013 0.000 2.337 613 D HA 0.099 4.669 4.640 -0.116 0.000 0.238 613 D C -2.384 173.910 176.300 -0.011 0.000 1.331 613 D CA -1.451 52.543 54.000 -0.010 0.000 0.967 613 D CB 1.249 42.045 40.800 -0.007 0.000 1.382 613 D HN 0.222 nan 8.370 nan 0.000 0.549 614 P HA 0.115 nan 4.420 nan 0.000 0.286 614 P C 0.351 177.640 177.300 -0.017 0.000 1.577 614 P CA 0.162 63.253 63.100 -0.014 0.000 0.805 614 P CB 0.200 31.892 31.700 -0.013 0.000 1.706 615 S N -1.856 113.833 115.700 -0.018 0.000 2.820 615 S HA 0.154 4.555 4.470 -0.116 0.000 0.265 615 S C 0.402 174.985 174.600 -0.028 0.000 1.043 615 S CA -0.173 58.014 58.200 -0.022 0.000 1.245 615 S CB 0.267 63.457 63.200 -0.016 0.000 1.187 615 S HN 0.261 nan 8.310 nan 0.000 0.673 616 C N 2.365 121.647 119.300 -0.030 0.000 2.358 616 C HA 0.437 4.827 4.460 -0.116 0.000 0.354 616 C C -0.975 173.970 174.990 -0.075 0.000 1.183 616 C CA -1.397 57.597 59.018 -0.040 0.000 2.150 616 C CB 1.049 28.776 27.740 -0.021 0.000 2.361 616 C HN 0.301 nan 8.230 nan 0.000 0.535 617 P HA -0.205 nan 4.420 nan 0.000 0.218 617 P C 0.939 178.031 177.300 -0.347 0.000 1.165 617 P CA 1.910 64.835 63.100 -0.291 0.000 0.922 617 P CB -0.078 31.372 31.700 -0.415 0.000 0.794 618 H N -3.415 115.646 119.070 -0.014 0.000 2.551 618 H HA 0.323 4.810 4.556 -0.115 0.000 0.271 618 H C 1.451 176.767 175.328 -0.019 0.000 0.984 618 H CA 1.056 57.098 56.048 -0.010 0.000 1.164 618 H CB 0.284 30.041 29.762 -0.008 0.000 1.437 618 H HN 0.272 nan 8.280 nan 0.000 0.550 619 G N 1.534 110.356 108.800 0.038 0.000 2.176 619 G HA2 -0.221 3.669 3.960 -0.116 0.000 0.232 619 G HA3 -0.221 3.669 3.960 -0.116 0.000 0.232 619 G C 0.359 175.263 174.900 0.007 0.000 0.986 619 G CA 0.319 45.427 45.100 0.013 0.000 0.643 619 G HN 0.442 nan 8.290 nan 0.000 0.522 620 I N -2.392 118.189 120.570 0.018 0.000 2.846 620 I HA 0.884 4.985 4.170 -0.116 0.000 0.307 620 I C -0.233 175.886 176.117 0.004 0.000 1.053 620 I CA -1.791 59.506 61.300 -0.005 0.000 1.050 620 I CB 2.071 40.049 38.000 -0.036 0.000 1.239 620 I HN 0.075 nan 8.210 nan 0.000 0.439 621 R N 4.255 124.755 120.500 -0.000 0.000 2.337 621 R HA 0.613 4.883 4.340 -0.116 0.000 0.319 621 R C -1.454 174.858 176.300 0.019 0.000 0.954 621 R CA -0.529 55.577 56.100 0.010 0.000 0.840 621 R CB 1.102 31.407 30.300 0.008 0.000 1.164 621 R HN 0.759 nan 8.270 nan 0.000 0.472 622 L N 4.560 125.798 121.223 0.025 0.000 2.461 622 L HA 0.100 4.370 4.340 -0.116 0.000 0.272 622 L C 1.610 178.525 176.870 0.074 0.000 1.197 622 L CA -0.304 54.564 54.840 0.046 0.000 0.836 622 L CB 1.308 43.391 42.059 0.040 0.000 1.105 622 L HN 0.679 nan 8.230 nan 0.000 0.477 623 V N 2.273 122.260 119.914 0.121 0.000 3.307 623 V HA 0.228 4.279 4.120 -0.116 0.000 0.253 623 V C 0.706 176.894 176.094 0.157 0.000 1.149 623 V CA 0.475 62.869 62.300 0.157 0.000 1.112 623 V CB 0.098 32.042 31.823 0.202 0.000 0.777 623 V HN 0.526 nan 8.190 nan 0.000 0.464 624 I N 1.184 121.812 120.570 0.097 0.000 2.354 624 I HA 0.454 4.555 4.170 -0.116 0.000 0.286 624 I C 1.104 177.252 176.117 0.051 0.000 1.007 624 I CA -0.454 60.844 61.300 -0.004 0.000 1.167 624 I CB 1.723 39.600 38.000 -0.205 0.000 1.320 624 I HN 0.013 nan 8.210 nan 0.000 0.458 625 E N 2.870 123.088 120.200 0.031 0.000 2.051 625 E HA -0.186 4.095 4.350 -0.116 0.000 0.192 625 E C 0.623 177.251 176.600 0.046 0.000 0.991 625 E CA 1.427 57.849 56.400 0.036 0.000 0.799 625 E CB 0.039 29.752 29.700 0.022 0.000 0.748 625 E HN 0.512 nan 8.360 nan 0.000 0.449 626 D N 0.160 120.577 120.400 0.029 0.000 2.688 626 D HA -0.083 4.487 4.640 -0.116 0.000 0.228 626 D C -1.154 175.186 176.300 0.067 0.000 1.116 626 D CA -0.119 53.902 54.000 0.034 0.000 1.023 626 D CB -0.777 40.026 40.800 0.006 0.000 1.100 626 D HN -0.003 nan 8.370 nan 0.000 0.487 627 Y N 2.226 122.478 120.300 -0.079 0.000 2.842 627 Y HA 0.383 4.864 4.550 -0.116 0.000 0.334 627 Y C -2.123 173.715 175.900 -0.103 0.000 1.019 627 Y CA -3.143 54.897 58.100 -0.101 0.000 1.258 627 Y CB 1.311 39.716 38.460 -0.091 0.000 1.106 627 Y HN 0.074 nan 8.280 nan 0.000 0.545 628 P HA -0.214 nan 4.420 nan 0.000 0.219 628 P C 1.283 178.445 177.300 -0.230 0.000 1.146 628 P CA 1.474 64.499 63.100 -0.126 0.000 0.808 628 P CB -0.056 31.469 31.700 -0.291 0.000 0.779 629 Y N -0.473 119.616 120.300 -0.350 0.000 2.263 629 Y HA -0.088 4.391 4.550 -0.119 0.000 0.292 629 Y C 2.235 178.049 175.900 -0.142 0.000 1.130 629 Y CA 1.689 59.690 58.100 -0.166 0.000 1.179 629 Y CB -0.971 37.480 38.460 -0.015 0.000 0.998 629 Y HN -0.163 nan 8.280 nan 0.000 0.532 630 T N -0.227 113.933 114.554 -0.657 0.000 2.851 630 T HA -0.067 4.213 4.350 -0.116 0.000 0.262 630 T C 1.871 176.319 174.700 -0.420 0.000 1.043 630 T CA 1.695 63.311 62.100 -0.808 0.000 1.140 630 T CB -0.472 67.595 68.868 -1.334 0.000 0.872 630 T HN 0.293 nan 8.240 nan 0.000 0.446 631 V N 0.101 119.877 119.914 -0.229 0.000 2.591 631 V HA 0.023 4.073 4.120 -0.116 0.000 0.249 631 V C 1.996 178.071 176.094 -0.031 0.000 1.053 631 V CA 1.323 63.572 62.300 -0.085 0.000 1.068 631 V CB -0.648 31.178 31.823 0.004 0.000 0.689 631 V HN 0.220 nan 8.190 nan 0.000 0.462 632 D N 1.817 122.220 120.400 0.005 0.000 2.162 632 D HA 0.021 4.591 4.640 -0.116 0.000 0.203 632 D C 2.305 178.640 176.300 0.059 0.000 0.967 632 D CA 1.604 55.657 54.000 0.087 0.000 0.840 632 D CB -0.616 40.315 40.800 0.219 0.000 0.972 632 D HN 0.483 nan 8.370 nan 0.000 0.482 633 G N 0.694 109.467 108.800 -0.044 0.000 2.442 633 G HA2 -0.211 3.679 3.960 -0.116 0.000 0.219 633 G HA3 -0.211 3.679 3.960 -0.116 0.000 0.219 633 G C 1.628 176.530 174.900 0.004 0.000 1.141 633 G CA 0.316 45.434 45.100 0.030 0.000 0.763 633 G HN 0.265 nan 8.290 nan 0.000 0.554 634 L N 0.116 121.216 121.223 -0.206 0.000 2.291 634 L HA 0.028 4.299 4.340 -0.116 0.000 0.214 634 L C 2.810 179.433 176.870 -0.412 0.000 1.120 634 L CA 0.486 55.089 54.840 -0.395 0.000 0.799 634 L CB -0.170 41.542 42.059 -0.577 0.000 0.925 634 L HN 0.143 nan 8.230 nan 0.000 0.446 635 E N 0.297 120.413 120.200 -0.140 0.000 2.028 635 E HA -0.188 4.093 4.350 -0.116 0.000 0.191 635 E C 2.214 178.888 176.600 0.123 0.000 0.988 635 E CA 1.192 57.618 56.400 0.044 0.000 0.799 635 E CB -0.213 29.553 29.700 0.111 0.000 0.755 635 E HN 0.312 nan 8.360 nan 0.000 0.447 636 I N 1.095 121.783 120.570 0.197 0.000 2.226 636 I HA -0.225 3.875 4.170 -0.116 0.000 0.245 636 I C 2.285 178.633 176.117 0.385 0.000 1.100 636 I CA 0.948 62.430 61.300 0.303 0.000 1.374 636 I CB -0.493 37.711 38.000 0.341 0.000 1.057 636 I HN 0.294 nan 8.210 nan 0.000 0.413 637 W N 1.643 123.053 121.300 0.183 0.000 2.317 637 W HA -0.294 4.296 4.660 -0.117 0.000 0.318 637 W C 1.963 178.463 176.519 -0.032 0.000 1.227 637 W CA 1.955 59.270 57.345 -0.050 0.000 1.269 637 W CB -0.391 28.762 29.460 -0.512 0.000 1.155 637 W HN 0.161 nan 8.180 nan 0.000 0.484 638 D N 0.432 120.814 120.400 -0.029 0.000 2.117 638 D HA -0.146 4.425 4.640 -0.116 0.000 0.197 638 D C 2.376 178.654 176.300 -0.036 0.000 0.987 638 D CA 2.097 56.054 54.000 -0.071 0.000 0.829 638 D CB -0.843 40.014 40.800 0.095 0.000 0.961 638 D HN 0.187 nan 8.370 nan 0.000 0.460 639 A N 0.653 123.533 122.820 0.099 0.000 1.908 639 A HA -0.164 4.086 4.320 -0.116 0.000 0.218 639 A C 2.393 180.088 177.584 0.186 0.000 1.181 639 A CA 0.986 53.163 52.037 0.233 0.000 0.627 639 A CB -0.699 18.514 19.000 0.355 0.000 0.818 639 A HN 0.220 nan 8.150 nan 0.000 0.445 640 I N -1.168 119.457 120.570 0.091 0.000 2.252 640 I HA -0.210 3.890 4.170 -0.116 0.000 0.245 640 I C 2.581 178.528 176.117 -0.283 0.000 1.102 640 I CA 1.538 62.782 61.300 -0.093 0.000 1.385 640 I CB -0.192 37.803 38.000 -0.009 0.000 1.064 640 I HN 0.316 nan 8.210 nan 0.000 0.414 641 K N 0.148 120.290 120.400 -0.430 0.000 2.103 641 K HA -0.120 4.131 4.320 -0.116 0.000 0.204 641 K C 2.026 178.510 176.600 -0.193 0.000 1.052 641 K CA 1.545 57.568 56.287 -0.439 0.000 0.945 641 K CB 0.048 32.164 32.500 -0.640 0.000 0.722 641 K HN 0.245 nan 8.250 nan 0.000 0.443 642 T N 0.490 114.978 114.554 -0.110 0.000 2.777 642 T HA -0.172 4.108 4.350 -0.116 0.000 0.266 642 T C 1.199 175.955 174.700 0.093 0.000 1.040 642 T CA 1.149 63.250 62.100 0.001 0.000 1.141 642 T CB -0.245 68.650 68.868 0.045 0.000 0.868 642 T HN 0.521 nan 8.240 nan 0.000 0.444 643 W N 1.689 122.868 121.300 -0.202 0.000 2.379 643 W HA -0.139 4.452 4.660 -0.115 0.000 0.307 643 W C 1.694 178.142 176.519 -0.119 0.000 1.200 643 W CA 0.403 57.594 57.345 -0.255 0.000 1.297 643 W CB -0.542 28.392 29.460 -0.878 0.000 1.140 643 W HN -0.002 nan 8.180 nan 0.000 0.507 644 V N 1.171 120.795 119.914 -0.484 0.000 2.287 644 V HA -0.365 3.685 4.120 -0.116 0.000 0.248 644 V C 2.702 178.709 176.094 -0.145 0.000 1.053 644 V CA 2.442 64.442 62.300 -0.500 0.000 1.027 644 V CB -1.483 30.113 31.823 -0.379 0.000 0.646 644 V HN 0.354 nan 8.190 nan 0.000 0.447 645 H N 0.341 119.342 119.070 -0.115 0.000 2.352 645 H HA -0.182 4.304 4.556 -0.117 0.000 0.299 645 H C 2.369 177.743 175.328 0.077 0.000 1.097 645 H CA 2.224 58.266 56.048 -0.010 0.000 1.311 645 H CB 0.175 29.867 29.762 -0.117 0.000 1.377 645 H HN 0.564 nan 8.280 nan 0.000 0.504 646 E N -0.825 119.465 120.200 0.149 0.000 2.152 646 E HA -0.178 4.103 4.350 -0.116 0.000 0.192 646 E C 1.915 178.603 176.600 0.146 0.000 0.983 646 E CA 0.760 57.260 56.400 0.166 0.000 0.818 646 E CB -0.124 29.720 29.700 0.240 0.000 0.758 646 E HN 0.501 nan 8.360 nan 0.000 0.467 647 Y N 0.592 120.836 120.300 -0.093 0.000 2.337 647 Y HA -0.116 4.368 4.550 -0.110 0.000 0.293 647 Y C 2.038 177.961 175.900 0.037 0.000 1.123 647 Y CA 0.678 58.705 58.100 -0.122 0.000 1.201 647 Y CB 0.150 38.241 38.460 -0.614 0.000 1.011 647 Y HN -0.204 nan 8.280 nan 0.000 0.545 648 V N -0.435 119.568 119.914 0.149 0.000 2.358 648 V HA -0.255 3.795 4.120 -0.116 0.000 0.246 648 V C 1.685 177.826 176.094 0.078 0.000 1.047 648 V CA 1.700 64.111 62.300 0.184 0.000 1.035 648 V CB -0.762 31.160 31.823 0.166 0.000 0.658 648 V HN 0.305 nan 8.190 nan 0.000 0.452 649 F N -0.584 119.288 119.950 -0.130 0.000 2.802 649 F HA 0.101 4.558 4.527 -0.117 0.000 0.300 649 F C 1.815 177.512 175.800 -0.172 0.000 1.168 649 F CA 0.657 58.565 58.000 -0.154 0.000 1.433 649 F CB -0.426 38.416 39.000 -0.262 0.000 1.115 649 F HN 0.080 nan 8.300 nan 0.000 0.582 650 L N -1.945 119.182 121.223 -0.160 0.000 2.127 650 L HA -0.178 4.093 4.340 -0.116 0.000 0.203 650 L C 1.866 178.378 176.870 -0.596 0.000 1.080 650 L CA 1.163 55.754 54.840 -0.416 0.000 0.768 650 L CB -0.418 41.216 42.059 -0.709 0.000 0.924 650 L HN 0.100 nan 8.230 nan 0.000 0.444 651 Y N -2.011 118.068 120.300 -0.370 0.000 2.347 651 Y HA -0.022 4.458 4.550 -0.117 0.000 0.294 651 Y C 0.281 175.828 175.900 -0.588 0.000 1.117 651 Y CA -0.016 57.755 58.100 -0.549 0.000 1.184 651 Y CB -0.096 37.901 38.460 -0.773 0.000 1.047 651 Y HN -0.036 nan 8.280 nan 0.000 0.546 652 Y N 1.245 121.449 120.300 -0.159 0.000 2.434 652 Y HA 0.247 4.727 4.550 -0.117 0.000 0.341 652 Y C 0.882 176.606 175.900 -0.294 0.000 0.965 652 Y CA -1.209 56.754 58.100 -0.229 0.000 1.205 652 Y CB 0.721 39.018 38.460 -0.272 0.000 1.121 652 Y HN -0.005 nan 8.280 nan 0.000 0.507 653 K N 0.834 121.196 120.400 -0.063 0.000 2.366 653 K HA 0.072 4.322 4.320 -0.116 0.000 0.198 653 K C 0.237 176.801 176.600 -0.059 0.000 1.044 653 K CA 0.602 56.848 56.287 -0.068 0.000 0.973 653 K CB 0.181 32.655 32.500 -0.043 0.000 0.767 653 K HN 0.556 nan 8.250 nan 0.000 0.475 654 S N -0.908 114.759 115.700 -0.054 0.000 2.625 654 S HA 0.232 4.633 4.470 -0.116 0.000 0.271 654 S C -0.370 174.184 174.600 -0.078 0.000 1.161 654 S CA -0.930 57.239 58.200 -0.052 0.000 0.820 654 S CB 1.448 64.639 63.200 -0.016 0.000 1.137 654 S HN -0.167 nan 8.310 nan 0.000 0.470 655 D N 0.845 121.204 120.400 -0.068 0.000 2.144 655 D HA -0.035 4.536 4.640 -0.116 0.000 0.200 655 D C 1.140 177.401 176.300 -0.065 0.000 0.978 655 D CA 1.212 55.163 54.000 -0.082 0.000 0.833 655 D CB -0.214 40.560 40.800 -0.044 0.000 0.961 655 D HN 0.544 nan 8.370 nan 0.000 0.470 656 D N -0.151 120.230 120.400 -0.031 0.000 2.092 656 D HA -0.138 4.433 4.640 -0.116 0.000 0.193 656 D C 2.199 178.499 176.300 0.001 0.000 0.994 656 D CA 2.120 56.111 54.000 -0.014 0.000 0.828 656 D CB -0.503 40.295 40.800 -0.003 0.000 0.963 656 D HN 0.320 nan 8.370 nan 0.000 0.450 657 T N -0.274 114.294 114.554 0.023 0.000 2.737 657 T HA -0.222 4.058 4.350 -0.116 0.000 0.269 657 T C 2.118 176.891 174.700 0.122 0.000 1.040 657 T CA 1.132 63.283 62.100 0.085 0.000 1.142 657 T CB -0.608 68.333 68.868 0.122 0.000 0.861 657 T HN 0.079 nan 8.240 nan 0.000 0.456 658 L N 0.961 122.178 121.223 -0.010 0.000 2.056 658 L HA 0.091 4.362 4.340 -0.116 0.000 0.207 658 L C 2.889 179.697 176.870 -0.103 0.000 1.078 658 L CA 1.575 56.276 54.840 -0.232 0.000 0.749 658 L CB -0.406 41.383 42.059 -0.449 0.000 0.901 658 L HN 0.139 nan 8.230 nan 0.000 0.433 659 R N -0.417 120.044 120.500 -0.065 0.000 2.115 659 R HA -0.109 4.162 4.340 -0.116 0.000 0.230 659 R C 1.771 178.072 176.300 0.001 0.000 1.111 659 R CA 1.392 57.471 56.100 -0.035 0.000 0.976 659 R CB -0.280 30.003 30.300 -0.028 0.000 0.870 659 R HN 0.500 nan 8.270 nan 0.000 0.445 660 E N 0.646 120.858 120.200 0.020 0.000 2.502 660 E HA -0.064 4.216 4.350 -0.116 0.000 0.194 660 E C -0.186 176.455 176.600 0.067 0.000 1.062 660 E CA 0.040 56.463 56.400 0.039 0.000 0.867 660 E CB 0.116 29.839 29.700 0.038 0.000 0.888 660 E HN 0.104 nan 8.360 nan 0.000 0.510 661 D N 1.028 121.483 120.400 0.093 0.000 2.422 661 D HA 0.023 4.594 4.640 -0.116 0.000 0.227 661 D C -1.571 174.802 176.300 0.122 0.000 1.190 661 D CA -2.457 51.635 54.000 0.153 0.000 0.905 661 D CB 1.096 42.055 40.800 0.265 0.000 1.034 661 D HN -0.064 nan 8.370 nan 0.000 0.507 662 P HA -0.098 nan 4.420 nan 0.000 0.219 662 P C 1.002 178.356 177.300 0.090 0.000 1.150 662 P CA 0.838 63.986 63.100 0.079 0.000 0.814 662 P CB 0.685 32.427 31.700 0.069 0.000 0.787 663 E N -0.597 119.684 120.200 0.134 0.000 2.076 663 E HA -0.093 4.187 4.350 -0.116 0.000 0.190 663 E C 2.068 178.714 176.600 0.078 0.000 0.979 663 E CA 0.485 56.965 56.400 0.134 0.000 0.807 663 E CB -0.460 29.348 29.700 0.180 0.000 0.761 663 E HN 0.102 nan 8.360 nan 0.000 0.454 664 L N 1.136 122.403 121.223 0.073 0.000 2.027 664 L HA -0.197 4.073 4.340 -0.116 0.000 0.206 664 L C 2.229 179.146 176.870 0.079 0.000 1.074 664 L CA 1.438 56.304 54.840 0.043 0.000 0.745 664 L CB -0.132 41.975 42.059 0.080 0.000 0.898 664 L HN -0.000 nan 8.230 nan 0.000 0.433 665 Q N 0.139 119.975 119.800 0.061 0.000 2.112 665 Q HA -0.221 4.049 4.340 -0.116 0.000 0.206 665 Q C 2.293 178.295 176.000 0.002 0.000 0.987 665 Q CA 1.994 57.827 55.803 0.050 0.000 0.858 665 Q CB -0.831 27.924 28.738 0.029 0.000 0.905 665 Q HN 0.705 nan 8.270 nan 0.000 0.420 666 A N -0.124 122.657 122.820 -0.064 0.000 1.970 666 A HA -0.118 4.132 4.320 -0.116 0.000 0.216 666 A C 2.469 179.777 177.584 -0.460 0.000 1.170 666 A CA 1.033 52.892 52.037 -0.297 0.000 0.645 666 A CB -0.994 17.817 19.000 -0.315 0.000 0.816 666 A HN 0.474 nan 8.150 nan 0.000 0.447 667 C N -1.217 118.012 119.300 -0.118 0.000 2.440 667 C HA -0.172 4.218 4.460 -0.116 0.000 0.282 667 C C 2.420 177.439 174.990 0.049 0.000 1.223 667 C CA 1.372 60.428 59.018 0.064 0.000 1.744 667 C CB -1.402 26.452 27.740 0.189 0.000 2.061 667 C HN 0.755 nan 8.230 nan 0.000 0.456 668 W N 1.219 122.473 121.300 -0.077 0.000 2.325 668 W HA -0.190 4.399 4.660 -0.119 0.000 0.299 668 W C 2.548 178.942 176.519 -0.208 0.000 1.215 668 W CA 2.108 59.387 57.345 -0.109 0.000 1.244 668 W CB -0.505 28.918 29.460 -0.063 0.000 1.140 668 W HN 0.487 nan 8.180 nan 0.000 0.523 669 K N 0.564 120.870 120.400 -0.155 0.000 2.097 669 K HA -0.250 4.001 4.320 -0.116 0.000 0.206 669 K C 1.978 178.349 176.600 -0.382 0.000 1.049 669 K CA 1.828 57.953 56.287 -0.271 0.000 0.933 669 K CB -0.380 32.017 32.500 -0.172 0.000 0.717 669 K HN 0.133 nan 8.250 nan 0.000 0.442 670 E N 0.282 120.274 120.200 -0.347 0.000 2.230 670 E HA -0.094 4.187 4.350 -0.116 0.000 0.192 670 E C 1.957 178.294 176.600 -0.438 0.000 0.987 670 E CA 0.006 56.219 56.400 -0.312 0.000 0.841 670 E CB 0.153 29.788 29.700 -0.108 0.000 0.783 670 E HN 0.219 nan 8.360 nan 0.000 0.481 671 L N 0.776 121.690 121.223 -0.514 0.000 2.017 671 L HA -0.114 4.156 4.340 -0.116 0.000 0.208 671 L C 2.062 178.386 176.870 -0.911 0.000 1.073 671 L CA 1.452 55.865 54.840 -0.712 0.000 0.745 671 L CB -0.475 41.023 42.059 -0.935 0.000 0.894 671 L HN 0.125 nan 8.230 nan 0.000 0.432 672 V N -0.163 119.098 119.914 -1.088 0.000 2.599 672 V HA -0.108 3.942 4.120 -0.116 0.000 0.245 672 V C 2.152 177.824 176.094 -0.704 0.000 1.046 672 V CA 1.162 62.703 62.300 -1.265 0.000 1.065 672 V CB -0.125 30.784 31.823 -1.523 0.000 0.703 672 V HN 0.430 nan 8.190 nan 0.000 0.464 673 E N -0.728 119.152 120.200 -0.533 0.000 2.474 673 E HA 0.054 4.334 4.350 -0.116 0.000 0.194 673 E C 1.444 177.856 176.600 -0.314 0.000 1.041 673 E CA 0.429 56.620 56.400 -0.348 0.000 0.874 673 E CB 0.774 30.308 29.700 -0.276 0.000 0.914 673 E HN 0.487 nan 8.360 nan 0.000 0.498 674 V N -0.893 118.762 119.914 -0.432 0.000 3.278 674 V HA 0.115 4.165 4.120 -0.116 0.000 0.215 674 V C 2.136 177.850 176.094 -0.634 0.000 1.287 674 V CA 0.800 62.785 62.300 -0.524 0.000 1.302 674 V CB -0.610 30.800 31.823 -0.689 0.000 1.228 674 V HN 0.271 nan 8.190 nan 0.000 0.523 675 G N -0.170 108.145 108.800 -0.808 0.000 2.440 675 G HA2 -0.206 3.684 3.960 -0.116 0.000 0.218 675 G HA3 -0.206 3.684 3.960 -0.116 0.000 0.218 675 G C 1.022 175.648 174.900 -0.458 0.000 1.154 675 G CA 1.063 45.815 45.100 -0.580 0.000 0.767 675 G HN 0.606 nan 8.290 nan 0.000 0.552 676 H N 0.172 119.058 119.070 -0.307 0.000 2.481 676 H HA 0.239 4.725 4.556 -0.117 0.000 0.273 676 H C 2.099 177.439 175.328 0.020 0.000 1.145 676 H CA 0.176 56.211 56.048 -0.022 0.000 0.964 676 H CB 0.442 30.339 29.762 0.224 0.000 1.722 676 H HN 0.327 nan 8.280 nan 0.000 0.573 677 G N 0.427 109.193 108.800 -0.056 0.000 2.516 677 G HA2 -0.239 3.651 3.960 -0.116 0.000 0.221 677 G HA3 -0.239 3.651 3.960 -0.116 0.000 0.221 677 G C 1.119 176.064 174.900 0.075 0.000 1.107 677 G CA 0.486 45.556 45.100 -0.050 0.000 0.747 677 G HN 0.352 nan 8.290 nan 0.000 0.567 678 D N -0.278 120.240 120.400 0.196 0.000 2.347 678 D HA 0.033 4.603 4.640 -0.116 0.000 0.215 678 D C 1.581 178.028 176.300 0.244 0.000 0.976 678 D CA 0.726 54.866 54.000 0.233 0.000 0.884 678 D CB 0.231 41.230 40.800 0.332 0.000 0.915 678 D HN 0.257 nan 8.370 nan 0.000 0.526 679 K N 0.498 121.092 120.400 0.322 0.000 2.618 679 K HA 0.087 4.337 4.320 -0.116 0.000 0.207 679 K C 1.505 178.319 176.600 0.357 0.000 1.058 679 K CA -0.134 56.375 56.287 0.370 0.000 1.086 679 K CB 0.595 33.452 32.500 0.595 0.000 0.827 679 K HN -0.002 nan 8.250 nan 0.000 0.481 680 K N -0.800 119.682 120.400 0.137 0.000 2.217 680 K HA -0.016 4.234 4.320 -0.116 0.000 0.202 680 K C 0.720 177.302 176.600 -0.031 0.000 1.051 680 K CA 1.118 57.383 56.287 -0.036 0.000 0.952 680 K CB 0.136 32.574 32.500 -0.104 0.000 0.736 680 K HN -0.051 nan 8.250 nan 0.000 0.453 681 N N 1.116 119.821 118.700 0.009 0.000 2.236 681 N HA 0.042 4.713 4.740 -0.116 0.000 0.196 681 N C -0.560 174.918 175.510 -0.054 0.000 1.114 681 N CA 0.160 53.200 53.050 -0.017 0.000 0.859 681 N CB 0.375 38.858 38.487 -0.006 0.000 0.982 681 N HN 0.256 nan 8.380 nan 0.000 0.493 682 E N 1.118 121.245 120.200 -0.121 0.000 2.398 682 E HA 0.045 4.325 4.350 -0.116 0.000 0.263 682 E C -1.416 174.880 176.600 -0.507 0.000 1.046 682 E CA -1.117 55.037 56.400 -0.410 0.000 0.908 682 E CB 0.917 30.099 29.700 -0.863 0.000 0.963 682 E HN 0.151 nan 8.360 nan 0.000 0.431 683 P HA 0.015 nan 4.420 nan 0.000 0.255 683 P C 0.704 177.927 177.300 -0.128 0.000 1.248 683 P CA 0.503 63.494 63.100 -0.181 0.000 0.807 683 P CB 0.034 31.713 31.700 -0.036 0.000 1.150 684 W N -2.465 118.846 121.300 0.017 0.000 3.211 684 W HA 0.256 4.846 4.660 -0.116 0.000 0.292 684 W C -0.284 176.274 176.519 0.065 0.000 1.268 684 W CA -0.959 56.375 57.345 -0.018 0.000 1.702 684 W CB -1.287 28.094 29.460 -0.131 0.000 1.092 684 W HN -0.225 nan 8.180 nan 0.000 0.643 685 W N 4.171 125.559 121.300 0.147 0.000 2.231 685 W HA 0.159 4.748 4.660 -0.118 0.000 0.341 685 W C -1.823 174.916 176.519 0.366 0.000 1.298 685 W CA -1.327 56.228 57.345 0.352 0.000 1.266 685 W CB -0.123 29.405 29.460 0.113 0.000 1.172 685 W HN -0.383 nan 8.180 nan 0.000 0.568 686 P HA 0.001 nan 4.420 nan 0.000 0.270 686 P C -0.419 177.072 177.300 0.319 0.000 1.242 686 P CA -0.057 63.274 63.100 0.385 0.000 0.768 686 P CB 0.415 32.256 31.700 0.234 0.000 0.820 687 K N 3.464 123.988 120.400 0.205 0.000 2.401 687 K HA 0.147 4.397 4.320 -0.116 0.000 0.278 687 K C 0.649 177.216 176.600 -0.054 0.000 1.018 687 K CA -0.171 56.195 56.287 0.132 0.000 0.981 687 K CB 0.481 33.039 32.500 0.097 0.000 0.933 687 K HN 0.374 nan 8.250 nan 0.000 0.477 688 M N 4.041 123.559 119.600 -0.137 0.000 3.663 688 M HA -0.008 4.403 4.480 -0.116 0.000 0.198 688 M C 0.932 177.152 176.300 -0.133 0.000 1.365 688 M CA 0.529 55.680 55.300 -0.248 0.000 1.595 688 M CB -0.491 31.933 32.600 -0.293 0.000 1.120 688 M HN 0.371 nan 8.290 nan 0.000 0.522 689 Q N -1.103 118.649 119.800 -0.080 0.000 2.302 689 Q HA 0.122 4.392 4.340 -0.116 0.000 0.202 689 Q C 0.618 176.578 176.000 -0.067 0.000 0.936 689 Q CA 0.639 56.410 55.803 -0.052 0.000 0.886 689 Q CB 0.744 29.475 28.738 -0.012 0.000 0.986 689 Q HN 0.394 nan 8.270 nan 0.000 0.487 690 T N -0.975 113.532 114.554 -0.078 0.000 2.906 690 T HA 0.368 4.648 4.350 -0.116 0.000 0.295 690 T C 0.639 175.272 174.700 -0.111 0.000 1.075 690 T CA -0.569 61.491 62.100 -0.067 0.000 1.005 690 T CB 1.480 70.345 68.868 -0.006 0.000 1.136 690 T HN -0.060 nan 8.240 nan 0.000 0.498 691 R N 0.880 121.308 120.500 -0.120 0.000 2.120 691 R HA -0.061 4.210 4.340 -0.116 0.000 0.234 691 R C 1.809 178.126 176.300 0.030 0.000 1.123 691 R CA 1.606 57.605 56.100 -0.168 0.000 0.975 691 R CB 0.006 30.076 30.300 -0.382 0.000 0.866 691 R HN 0.634 nan 8.270 nan 0.000 0.446 692 E N 0.637 120.920 120.200 0.139 0.000 2.110 692 E HA -0.183 4.098 4.350 -0.116 0.000 0.193 692 E C 1.607 178.258 176.600 0.085 0.000 0.988 692 E CA 1.167 57.674 56.400 0.177 0.000 0.804 692 E CB -0.009 29.791 29.700 0.168 0.000 0.745 692 E HN 0.386 nan 8.360 nan 0.000 0.458 693 E N -0.045 120.169 120.200 0.023 0.000 2.204 693 E HA -0.148 4.133 4.350 -0.116 0.000 0.194 693 E C 1.803 178.354 176.600 -0.082 0.000 0.989 693 E CA 0.410 56.803 56.400 -0.012 0.000 0.824 693 E CB -0.006 29.670 29.700 -0.040 0.000 0.756 693 E HN 0.114 nan 8.360 nan 0.000 0.477 694 L N 0.358 121.509 121.223 -0.120 0.000 2.072 694 L HA -0.111 4.159 4.340 -0.116 0.000 0.205 694 L C 2.127 178.970 176.870 -0.046 0.000 1.079 694 L CA 1.310 56.058 54.840 -0.154 0.000 0.752 694 L CB -0.352 41.595 42.059 -0.186 0.000 0.906 694 L HN -0.067 nan 8.230 nan 0.000 0.436 695 V N -0.210 119.712 119.914 0.014 0.000 2.295 695 V HA -0.278 3.773 4.120 -0.116 0.000 0.246 695 V C 2.631 178.735 176.094 0.016 0.000 1.049 695 V CA 1.827 64.152 62.300 0.041 0.000 1.024 695 V CB -0.557 31.355 31.823 0.148 0.000 0.648 695 V HN 0.504 nan 8.190 nan 0.000 0.447 696 E N 0.688 120.917 120.200 0.048 0.000 2.033 696 E HA -0.252 4.029 4.350 -0.116 0.000 0.199 696 E C 2.157 178.815 176.600 0.096 0.000 1.011 696 E CA 2.089 58.530 56.400 0.069 0.000 0.815 696 E CB -0.619 29.138 29.700 0.095 0.000 0.755 696 E HN 0.513 nan 8.360 nan 0.000 0.451 697 A N -0.315 122.603 122.820 0.163 0.000 1.877 697 A HA -0.203 4.048 4.320 -0.116 0.000 0.216 697 A C 2.639 180.399 177.584 0.294 0.000 1.186 697 A CA 1.578 53.858 52.037 0.406 0.000 0.620 697 A CB -1.051 18.139 19.000 0.317 0.000 0.822 697 A HN 0.517 nan 8.150 nan 0.000 0.443 698 C N -0.982 118.393 119.300 0.124 0.000 2.429 698 C HA 0.036 4.426 4.460 -0.116 0.000 0.277 698 C C 3.255 178.228 174.990 -0.029 0.000 1.262 698 C CA 0.817 59.866 59.018 0.052 0.000 1.733 698 C CB -1.324 26.409 27.740 -0.011 0.000 2.010 698 C HN 0.695 nan 8.230 nan 0.000 0.483 699 A N -0.300 122.472 122.820 -0.079 0.000 2.121 699 A HA -0.017 4.234 4.320 -0.116 0.000 0.218 699 A C 1.935 179.506 177.584 -0.023 0.000 1.154 699 A CA 1.260 53.177 52.037 -0.201 0.000 0.679 699 A CB -0.454 18.282 19.000 -0.439 0.000 0.795 699 A HN 0.655 nan 8.150 nan 0.000 0.458 700 I N -1.044 119.578 120.570 0.086 0.000 2.429 700 I HA -0.098 4.002 4.170 -0.116 0.000 0.247 700 I C 2.125 178.343 176.117 0.168 0.000 1.099 700 I CA 0.678 62.062 61.300 0.141 0.000 1.422 700 I CB -0.261 37.547 38.000 -0.321 0.000 1.112 700 I HN 0.221 nan 8.210 nan 0.000 0.430 701 I N 1.084 121.725 120.570 0.119 0.000 2.194 701 I HA -0.344 3.756 4.170 -0.116 0.000 0.246 701 I C 2.412 178.566 176.117 0.062 0.000 1.093 701 I CA 1.910 63.235 61.300 0.042 0.000 1.355 701 I CB -0.215 37.792 38.000 0.010 0.000 1.046 701 I HN 0.180 nan 8.210 nan 0.000 0.413 702 I N -0.693 119.868 120.570 -0.014 0.000 2.406 702 I HA -0.253 3.848 4.170 -0.116 0.000 0.249 702 I C 2.363 178.512 176.117 0.055 0.000 1.122 702 I CA 0.770 61.965 61.300 -0.174 0.000 1.431 702 I CB -0.398 37.345 38.000 -0.428 0.000 1.087 702 I HN 0.513 nan 8.210 nan 0.000 0.424 703 W N 1.989 123.308 121.300 0.033 0.000 2.338 703 W HA -0.246 4.351 4.660 -0.106 0.000 0.304 703 W C 2.035 178.665 176.519 0.184 0.000 1.212 703 W CA 2.007 59.456 57.345 0.173 0.000 1.264 703 W CB -0.417 29.268 29.460 0.376 0.000 1.142 703 W HN 0.064 nan 8.180 nan 0.000 0.512 704 T N 1.273 115.907 114.554 0.134 0.000 2.812 704 T HA -0.073 4.208 4.350 -0.116 0.000 0.264 704 T C 2.099 176.810 174.700 0.019 0.000 1.042 704 T CA 2.052 64.191 62.100 0.066 0.000 1.140 704 T CB -0.631 68.364 68.868 0.213 0.000 0.870 704 T HN 0.230 nan 8.240 nan 0.000 0.445 705 A N 1.462 124.315 122.820 0.055 0.000 1.968 705 A HA -0.009 4.241 4.320 -0.116 0.000 0.217 705 A C 2.410 180.031 177.584 0.062 0.000 1.169 705 A CA 1.816 53.886 52.037 0.055 0.000 0.638 705 A CB -0.417 18.669 19.000 0.144 0.000 0.812 705 A HN 0.586 nan 8.150 nan 0.000 0.446 706 S N -0.808 114.927 115.700 0.059 0.000 2.650 706 S HA 0.457 4.857 4.470 -0.116 0.000 0.182 706 S C 2.168 176.759 174.600 -0.015 0.000 0.832 706 S CA 0.657 58.907 58.200 0.084 0.000 0.860 706 S CB -0.867 62.429 63.200 0.159 0.000 0.818 706 S HN 0.737 nan 8.310 nan 0.000 0.600 707 A N 1.339 124.025 122.820 -0.224 0.000 1.897 707 A HA 0.168 4.419 4.320 -0.116 0.000 0.215 707 A C 2.258 179.538 177.584 -0.506 0.000 1.181 707 A CA 1.395 53.189 52.037 -0.405 0.000 0.620 707 A CB -1.092 17.537 19.000 -0.619 0.000 0.821 707 A HN 0.474 nan 8.150 nan 0.000 0.443 708 L N -0.358 120.366 121.223 -0.831 0.000 1.990 708 L HA -0.254 4.016 4.340 -0.116 0.000 0.213 708 L C 2.491 179.341 176.870 -0.034 0.000 1.072 708 L CA 2.799 57.425 54.840 -0.357 0.000 0.755 708 L CB -0.810 41.086 42.059 -0.271 0.000 0.889 708 L HN 0.666 nan 8.230 nan 0.000 0.432 709 H N -0.802 118.223 119.070 -0.074 0.000 2.387 709 H HA -0.127 4.356 4.556 -0.121 0.000 0.299 709 H C 1.877 177.248 175.328 0.071 0.000 1.090 709 H CA 1.447 57.511 56.048 0.026 0.000 1.332 709 H CB 0.266 30.026 29.762 -0.004 0.000 1.386 709 H HN 0.495 nan 8.280 nan 0.000 0.516 710 A N 1.232 124.107 122.820 0.091 0.000 1.873 710 A HA -0.040 4.211 4.320 -0.116 0.000 0.215 710 A C 2.666 180.323 177.584 0.122 0.000 1.186 710 A CA 1.678 53.840 52.037 0.208 0.000 0.616 710 A CB -1.074 18.081 19.000 0.259 0.000 0.823 710 A HN 0.549 nan 8.150 nan 0.000 0.442 711 A N -1.172 121.712 122.820 0.106 0.000 2.067 711 A HA 0.126 4.377 4.320 -0.116 0.000 0.219 711 A C 2.022 179.674 177.584 0.113 0.000 1.158 711 A CA 1.540 53.681 52.037 0.172 0.000 0.661 711 A CB -0.474 18.761 19.000 0.391 0.000 0.801 711 A HN 0.417 nan 8.150 nan 0.000 0.452 712 V N -0.089 119.854 119.914 0.048 0.000 3.506 712 V HA -0.030 4.020 4.120 -0.116 0.000 0.263 712 V C 1.792 177.902 176.094 0.028 0.000 1.203 712 V CA 1.836 64.194 62.300 0.098 0.000 1.133 712 V CB -0.231 31.659 31.823 0.111 0.000 0.802 712 V HN 0.819 nan 8.190 nan 0.000 0.459 713 N N -1.322 117.221 118.700 -0.261 0.000 2.419 713 N HA 0.071 4.742 4.740 -0.116 0.000 0.216 713 N C 1.128 176.317 175.510 -0.534 0.000 1.118 713 N CA 0.243 52.966 53.050 -0.545 0.000 0.850 713 N CB 0.079 37.917 38.487 -1.081 0.000 1.292 713 N HN 0.223 nan 8.380 nan 0.000 0.467 714 F N 0.394 120.286 119.950 -0.097 0.000 2.802 714 F HA 0.368 4.826 4.527 -0.114 0.000 0.300 714 F C 2.050 177.913 175.800 0.105 0.000 1.168 714 F CA 0.625 58.594 58.000 -0.052 0.000 1.433 714 F CB -0.044 38.887 39.000 -0.114 0.000 1.115 714 F HN 0.187 nan 8.300 nan 0.000 0.582 715 G N -1.394 107.569 108.800 0.272 0.000 3.088 715 G HA2 -0.019 3.872 3.960 -0.116 0.000 0.217 715 G HA3 -0.019 3.872 3.960 -0.116 0.000 0.217 715 G C 1.370 176.434 174.900 0.274 0.000 1.159 715 G CA -0.099 45.282 45.100 0.470 0.000 0.760 715 G HN 0.238 nan 8.290 nan 0.000 0.550 716 Q N -0.499 119.377 119.800 0.128 0.000 2.029 716 Q HA -0.271 3.999 4.340 -0.116 0.000 0.209 716 Q C 1.998 178.059 176.000 0.101 0.000 0.999 716 Q CA 2.030 57.879 55.803 0.076 0.000 0.857 716 Q CB -0.268 28.482 28.738 0.020 0.000 0.926 716 Q HN 0.640 nan 8.270 nan 0.000 0.415 717 Y N 0.482 120.785 120.300 0.006 0.000 2.206 717 Y HA -0.051 4.431 4.550 -0.113 0.000 0.292 717 Y C -0.969 174.880 175.900 -0.084 0.000 1.123 717 Y CA 0.941 59.025 58.100 -0.027 0.000 1.142 717 Y CB -0.636 37.818 38.460 -0.011 0.000 1.006 717 Y HN 0.081 nan 8.280 nan 0.000 0.518 718 P HA -0.176 nan 4.420 nan 0.000 0.219 718 P C 0.614 177.625 177.300 -0.483 0.000 1.146 718 P CA 1.815 64.782 63.100 -0.222 0.000 0.808 718 P CB -0.115 31.404 31.700 -0.300 0.000 0.779 719 Y N -1.407 118.788 120.300 -0.174 0.000 2.301 719 Y HA 0.252 4.732 4.550 -0.117 0.000 0.295 719 Y C 2.575 178.328 175.900 -0.244 0.000 1.126 719 Y CA 1.432 59.422 58.100 -0.185 0.000 1.154 719 Y CB -1.033 37.366 38.460 -0.102 0.000 1.075 719 Y HN -0.132 nan 8.280 nan 0.000 0.534 720 G N -1.204 107.543 108.800 -0.088 0.000 3.088 720 G HA2 0.120 4.010 3.960 -0.116 0.000 0.217 720 G HA3 0.120 4.010 3.960 -0.116 0.000 0.217 720 G C 1.737 176.419 174.900 -0.365 0.000 1.159 720 G CA 0.486 45.477 45.100 -0.182 0.000 0.760 720 G HN 0.472 nan 8.290 nan 0.000 0.550 721 G N 0.101 108.513 108.800 -0.647 0.000 2.509 721 G HA2 -0.009 3.882 3.960 -0.116 0.000 0.218 721 G HA3 -0.009 3.882 3.960 -0.116 0.000 0.218 721 G C 0.627 175.133 174.900 -0.656 0.000 1.124 721 G CA 0.039 44.451 45.100 -1.147 0.000 0.776 721 G HN 0.380 nan 8.290 nan 0.000 0.547 722 L N 1.409 122.326 121.223 -0.509 0.000 2.262 722 L HA 0.405 4.676 4.340 -0.116 0.000 0.288 722 L C 1.074 177.675 176.870 -0.449 0.000 1.035 722 L CA -0.594 53.989 54.840 -0.427 0.000 0.820 722 L CB 1.527 43.305 42.059 -0.468 0.000 1.204 722 L HN 0.073 nan 8.230 nan 0.000 0.424 723 I N 3.852 124.181 120.570 -0.403 0.000 2.830 723 I HA -0.192 3.908 4.170 -0.116 0.000 0.263 723 I C 1.589 177.470 176.117 -0.393 0.000 1.230 723 I CA 1.066 62.164 61.300 -0.336 0.000 1.480 723 I CB 0.232 38.085 38.000 -0.245 0.000 1.095 723 I HN 0.607 nan 8.210 nan 0.000 0.455 724 L N 0.366 121.226 121.223 -0.606 0.000 2.093 724 L HA -0.129 4.141 4.340 -0.116 0.000 0.208 724 L C 2.165 178.417 176.870 -1.030 0.000 1.085 724 L CA 1.655 55.983 54.840 -0.854 0.000 0.755 724 L CB -1.406 39.796 42.059 -1.429 0.000 0.904 724 L HN 0.376 nan 8.230 nan 0.000 0.435 725 N N -0.616 117.547 118.700 -0.896 0.000 2.251 725 N HA -0.047 4.623 4.740 -0.116 0.000 0.181 725 N C 0.393 175.789 175.510 -0.190 0.000 1.019 725 N CA 0.719 53.488 53.050 -0.468 0.000 0.862 725 N CB 0.330 38.630 38.487 -0.312 0.000 0.992 725 N HN -0.047 nan 8.380 nan 0.000 0.429 726 R N 1.055 121.426 120.500 -0.216 0.000 2.587 726 R HA 0.365 4.636 4.340 -0.116 0.000 0.283 726 R C -2.604 173.612 176.300 -0.141 0.000 1.472 726 R CA -1.803 54.221 56.100 -0.127 0.000 1.578 726 R CB 0.902 31.147 30.300 -0.092 0.000 1.130 726 R HN 0.323 nan 8.270 nan 0.000 0.602 727 P HA 0.038 nan 4.420 nan 0.000 0.271 727 P C 0.776 177.997 177.300 -0.131 0.000 1.218 727 P CA 0.131 63.131 63.100 -0.167 0.000 0.780 727 P CB 0.871 32.452 31.700 -0.197 0.000 0.901 728 T N -0.858 113.583 114.554 -0.189 0.000 3.014 728 T HA 0.324 4.605 4.350 -0.116 0.000 0.250 728 T C 0.597 175.217 174.700 -0.134 0.000 1.060 728 T CA 0.142 62.115 62.100 -0.211 0.000 1.040 728 T CB -0.453 68.035 68.868 -0.632 0.000 0.971 728 T HN 0.415 nan 8.240 nan 0.000 0.497 729 L N -0.801 120.348 121.223 -0.123 0.000 2.518 729 L HA 0.860 5.130 4.340 -0.116 0.000 0.257 729 L C -0.898 175.941 176.870 -0.052 0.000 0.980 729 L CA -1.295 53.508 54.840 -0.062 0.000 0.837 729 L CB 1.816 43.830 42.059 -0.076 0.000 1.410 729 L HN 0.035 nan 8.230 nan 0.000 0.410 730 S N 0.112 115.819 115.700 0.012 0.000 2.454 730 S HA 0.701 5.102 4.470 -0.116 0.000 0.306 730 S C 0.171 174.763 174.600 -0.013 0.000 1.100 730 S CA -0.746 57.474 58.200 0.034 0.000 1.087 730 S CB 1.518 64.864 63.200 0.243 0.000 1.019 730 S HN 0.914 nan 8.310 nan 0.000 0.480 731 R N 1.279 121.751 120.500 -0.048 0.000 2.468 731 R HA 0.470 4.740 4.340 -0.116 0.000 0.280 731 R C 0.237 176.454 176.300 -0.138 0.000 0.963 731 R CA -0.582 55.459 56.100 -0.099 0.000 1.083 731 R CB 0.078 30.333 30.300 -0.076 0.000 1.200 731 R HN 0.556 nan 8.270 nan 0.000 0.541 732 R N 0.577 121.025 120.500 -0.087 0.000 2.535 732 R HA 0.287 4.557 4.340 -0.116 0.000 0.274 732 R C -1.360 175.006 176.300 0.109 0.000 1.090 732 R CA -0.623 55.441 56.100 -0.060 0.000 0.930 732 R CB 0.932 31.258 30.300 0.043 0.000 1.223 732 R HN -0.109 nan 8.270 nan 0.000 0.441 733 F N 2.599 122.626 119.950 0.128 0.000 2.440 733 F HA 0.263 4.721 4.527 -0.116 0.000 0.323 733 F C 1.114 177.099 175.800 0.309 0.000 1.192 733 F CA -0.460 57.629 58.000 0.149 0.000 1.252 733 F CB 0.400 39.440 39.000 0.067 0.000 1.214 733 F HN 0.458 nan 8.300 nan 0.000 0.578 734 M N 3.877 123.835 119.600 0.597 0.000 2.252 734 M HA 0.214 4.624 4.480 -0.116 0.000 0.348 734 M C -2.418 174.110 176.300 0.380 0.000 1.334 734 M CA -1.211 54.357 55.300 0.448 0.000 1.071 734 M CB -0.055 32.703 32.600 0.264 0.000 1.763 734 M HN 0.148 nan 8.290 nan 0.000 0.452 735 P HA 0.118 nan 4.420 nan 0.000 0.268 735 P C -1.445 176.097 177.300 0.404 0.000 1.204 735 P CA 0.113 63.425 63.100 0.354 0.000 0.768 735 P CB 0.385 32.288 31.700 0.338 0.000 0.842 736 E N 1.813 122.182 120.200 0.282 0.000 2.179 736 E HA 0.133 4.414 4.350 -0.116 0.000 0.275 736 E C 0.603 177.084 176.600 -0.199 0.000 0.945 736 E CA -0.745 55.721 56.400 0.109 0.000 0.792 736 E CB 0.955 30.708 29.700 0.088 0.000 1.125 736 E HN 0.208 nan 8.360 nan 0.000 0.397 737 K N 1.042 121.022 120.400 -0.700 0.000 2.893 737 K HA -0.305 3.946 4.320 -0.116 0.000 0.195 737 K C 1.267 177.552 176.600 -0.525 0.000 0.965 737 K CA 1.961 57.651 56.287 -0.996 0.000 0.818 737 K CB -0.355 31.882 32.500 -0.439 0.000 1.316 737 K HN 0.678 nan 8.250 nan 0.000 0.535 738 G N -1.373 107.298 108.800 -0.215 0.000 3.215 738 G HA2 0.085 3.975 3.960 -0.116 0.000 0.236 738 G HA3 0.085 3.975 3.960 -0.116 0.000 0.236 738 G C -0.140 174.788 174.900 0.047 0.000 1.029 738 G CA -0.249 44.820 45.100 -0.051 0.000 0.909 738 G HN 0.174 nan 8.290 nan 0.000 0.543 739 S N 0.137 115.891 115.700 0.089 0.000 2.569 739 S HA 0.386 4.786 4.470 -0.116 0.000 0.274 739 S C 1.829 176.526 174.600 0.162 0.000 1.353 739 S CA 0.289 58.573 58.200 0.140 0.000 1.023 739 S CB 1.142 64.457 63.200 0.191 0.000 0.876 739 S HN 0.516 nan 8.310 nan 0.000 0.540 740 A N 2.621 125.515 122.820 0.123 0.000 1.968 740 A HA 0.004 4.254 4.320 -0.116 0.000 0.217 740 A C 1.805 179.460 177.584 0.118 0.000 1.169 740 A CA 1.304 53.406 52.037 0.108 0.000 0.638 740 A CB -0.606 18.441 19.000 0.078 0.000 0.812 740 A HN 0.839 nan 8.150 nan 0.000 0.446 741 E N -1.154 119.128 120.200 0.137 0.000 2.130 741 E HA -0.226 4.054 4.350 -0.116 0.000 0.196 741 E C 1.671 178.372 176.600 0.169 0.000 0.998 741 E CA 1.655 58.143 56.400 0.146 0.000 0.806 741 E CB -0.474 29.327 29.700 0.169 0.000 0.738 741 E HN 0.798 nan 8.360 nan 0.000 0.459 742 Y N 0.743 121.093 120.300 0.085 0.000 2.200 742 Y HA -0.211 4.269 4.550 -0.116 0.000 0.290 742 Y C 2.365 178.306 175.900 0.068 0.000 1.137 742 Y CA 1.798 59.950 58.100 0.086 0.000 1.163 742 Y CB 0.180 38.692 38.460 0.087 0.000 0.988 742 Y HN 0.019 nan 8.280 nan 0.000 0.518 743 E N 0.684 120.975 120.200 0.152 0.000 2.150 743 E HA -0.234 4.046 4.350 -0.116 0.000 0.193 743 E C 2.029 178.638 176.600 0.016 0.000 0.985 743 E CA 1.505 57.947 56.400 0.070 0.000 0.814 743 E CB -0.339 29.421 29.700 0.100 0.000 0.752 743 E HN 0.673 nan 8.360 nan 0.000 0.466 744 E N -0.046 120.172 120.200 0.030 0.000 2.072 744 E HA -0.207 4.073 4.350 -0.116 0.000 0.191 744 E C 2.076 178.663 176.600 -0.020 0.000 0.985 744 E CA 1.115 57.523 56.400 0.014 0.000 0.801 744 E CB -0.288 29.434 29.700 0.037 0.000 0.750 744 E HN 0.358 nan 8.360 nan 0.000 0.452 745 L N 1.665 122.862 121.223 -0.044 0.000 2.042 745 L HA -0.162 4.109 4.340 -0.116 0.000 0.210 745 L C 2.520 179.310 176.870 -0.134 0.000 1.076 745 L CA 1.760 56.546 54.840 -0.089 0.000 0.749 745 L CB -0.507 41.472 42.059 -0.134 0.000 0.893 745 L HN 0.084 nan 8.230 nan 0.000 0.432 746 R N -0.780 119.613 120.500 -0.177 0.000 2.083 746 R HA -0.190 4.080 4.340 -0.116 0.000 0.237 746 R C 2.334 178.587 176.300 -0.078 0.000 1.137 746 R CA 1.954 57.969 56.100 -0.142 0.000 0.951 746 R CB -0.198 30.040 30.300 -0.103 0.000 0.851 746 R HN 0.341 nan 8.270 nan 0.000 0.434 747 K N -0.773 119.594 120.400 -0.054 0.000 2.308 747 K HA -0.022 4.228 4.320 -0.116 0.000 0.197 747 K C 0.050 176.625 176.600 -0.041 0.000 1.049 747 K CA 0.418 56.684 56.287 -0.035 0.000 0.991 747 K CB 0.469 32.960 32.500 -0.015 0.000 0.836 747 K HN -0.043 nan 8.250 nan 0.000 0.500 748 N N 0.726 119.399 118.700 -0.044 0.000 2.725 748 N HA 0.159 4.829 4.740 -0.116 0.000 0.248 748 N C -2.379 173.094 175.510 -0.063 0.000 1.402 748 N CA -1.720 51.298 53.050 -0.053 0.000 0.766 748 N CB 1.557 40.026 38.487 -0.030 0.000 1.223 748 N HN -0.104 nan 8.380 nan 0.000 0.515 749 P HA -0.117 nan 4.420 nan 0.000 0.222 749 P C 0.832 178.073 177.300 -0.099 0.000 1.147 749 P CA 1.104 64.156 63.100 -0.080 0.000 0.790 749 P CB 0.627 32.266 31.700 -0.102 0.000 0.780 750 Q N -0.210 119.442 119.800 -0.246 0.000 2.137 750 Q HA -0.117 4.154 4.340 -0.116 0.000 0.198 750 Q C 2.226 178.211 176.000 -0.025 0.000 0.960 750 Q CA 1.078 56.615 55.803 -0.443 0.000 0.847 750 Q CB -0.271 27.962 28.738 -0.842 0.000 0.915 750 Q HN 0.053 nan 8.270 nan 0.000 0.448 751 K N 1.329 121.730 120.400 0.001 0.000 2.097 751 K HA -0.063 4.187 4.320 -0.116 0.000 0.205 751 K C 1.769 178.440 176.600 0.118 0.000 1.050 751 K CA 1.330 57.666 56.287 0.082 0.000 0.938 751 K CB -0.447 32.082 32.500 0.048 0.000 0.718 751 K HN 0.172 nan 8.250 nan 0.000 0.442 752 A N -0.656 122.224 122.820 0.100 0.000 1.933 752 A HA -0.163 4.087 4.320 -0.116 0.000 0.218 752 A C 2.205 179.880 177.584 0.152 0.000 1.175 752 A CA 1.499 53.600 52.037 0.106 0.000 0.628 752 A CB -0.856 18.192 19.000 0.081 0.000 0.814 752 A HN 0.468 nan 8.150 nan 0.000 0.444 753 Y N 0.360 120.710 120.300 0.084 0.000 2.184 753 Y HA -0.081 4.399 4.550 -0.117 0.000 0.290 753 Y C 2.024 178.003 175.900 0.131 0.000 1.129 753 Y CA 1.773 59.951 58.100 0.130 0.000 1.144 753 Y CB -0.237 38.416 38.460 0.322 0.000 0.995 753 Y HN 0.210 nan 8.280 nan 0.000 0.513 754 L N 0.553 121.995 121.223 0.365 0.000 2.083 754 L HA -0.240 4.031 4.340 -0.116 0.000 0.209 754 L C 2.216 179.151 176.870 0.109 0.000 1.083 754 L CA 1.947 56.932 54.840 0.241 0.000 0.752 754 L CB -0.632 41.617 42.059 0.316 0.000 0.899 754 L HN 0.248 nan 8.230 nan 0.000 0.433 755 K N -1.145 119.309 120.400 0.091 0.000 2.486 755 K HA 0.008 4.259 4.320 -0.116 0.000 0.194 755 K C 1.421 178.021 176.600 -0.002 0.000 1.033 755 K CA 1.044 57.359 56.287 0.046 0.000 1.004 755 K CB -0.261 32.273 32.500 0.056 0.000 0.798 755 K HN 0.128 nan 8.250 nan 0.000 0.495 756 T N 1.823 116.344 114.554 -0.055 0.000 2.983 756 T HA 0.129 4.409 4.350 -0.116 0.000 0.250 756 T C 1.213 175.815 174.700 -0.163 0.000 1.037 756 T CA 0.356 62.391 62.100 -0.108 0.000 1.142 756 T CB -0.168 68.577 68.868 -0.204 0.000 0.876 756 T HN 0.366 nan 8.240 nan 0.000 0.455 757 I N 0.531 120.959 120.570 -0.237 0.000 3.244 757 I HA 0.397 4.497 4.170 -0.116 0.000 0.314 757 I C -0.085 175.957 176.117 -0.125 0.000 1.043 757 I CA -1.054 60.108 61.300 -0.230 0.000 1.099 757 I CB 0.078 37.874 38.000 -0.340 0.000 1.449 757 I HN -0.119 nan 8.210 nan 0.000 0.625 758 T N 3.391 117.867 114.554 -0.131 0.000 2.872 758 T HA 0.036 4.316 4.350 -0.116 0.000 0.292 758 T C -2.201 172.461 174.700 -0.063 0.000 1.036 758 T CA -0.183 61.846 62.100 -0.118 0.000 1.136 758 T CB -0.658 68.112 68.868 -0.164 0.000 1.052 758 T HN 0.513 nan 8.240 nan 0.000 0.512 759 P HA 0.210 nan 4.420 nan 0.000 0.274 759 P C 0.887 178.098 177.300 -0.149 0.000 1.246 759 P CA -0.759 62.296 63.100 -0.074 0.000 0.795 759 P CB 0.689 32.343 31.700 -0.076 0.000 1.006 760 K N 1.176 121.401 120.400 -0.292 0.000 2.063 760 K HA -0.211 4.039 4.320 -0.116 0.000 0.208 760 K C 1.779 178.181 176.600 -0.330 0.000 1.048 760 K CA 1.553 57.499 56.287 -0.569 0.000 0.928 760 K CB -0.630 31.348 32.500 -0.870 0.000 0.713 760 K HN 0.348 nan 8.250 nan 0.000 0.442 761 F N 1.930 121.505 119.950 -0.625 0.000 2.069 761 F HA -0.209 4.250 4.527 -0.114 0.000 0.298 761 F C 1.871 177.392 175.800 -0.465 0.000 1.113 761 F CA 1.870 59.262 58.000 -1.012 0.000 1.214 761 F CB -0.357 37.759 39.000 -1.473 0.000 0.978 761 F HN 0.117 nan 8.300 nan 0.000 0.474 762 Q N -0.440 119.014 119.800 -0.577 0.000 2.472 762 Q HA -0.019 4.251 4.340 -0.116 0.000 0.208 762 Q C 2.013 177.773 176.000 -0.400 0.000 0.958 762 Q CA 1.302 56.773 55.803 -0.554 0.000 0.932 762 Q CB -0.440 28.132 28.738 -0.276 0.000 1.007 762 Q HN 0.346 nan 8.270 nan 0.000 0.508 763 T N 0.416 114.788 114.554 -0.302 0.000 2.821 763 T HA -0.034 4.246 4.350 -0.116 0.000 0.267 763 T C 1.503 176.071 174.700 -0.219 0.000 1.046 763 T CA 0.814 62.796 62.100 -0.197 0.000 1.139 763 T CB -0.081 68.788 68.868 0.001 0.000 0.871 763 T HN 0.228 nan 8.240 nan 0.000 0.454 764 L N 0.264 121.349 121.223 -0.231 0.000 2.201 764 L HA 0.024 4.294 4.340 -0.116 0.000 0.212 764 L C 2.303 179.131 176.870 -0.069 0.000 1.105 764 L CA 0.944 55.722 54.840 -0.103 0.000 0.775 764 L CB -0.598 41.489 42.059 0.046 0.000 0.913 764 L HN 0.279 nan 8.230 nan 0.000 0.440 765 I N 0.264 120.675 120.570 -0.265 0.000 2.233 765 I HA -0.253 3.847 4.170 -0.116 0.000 0.243 765 I C 2.310 178.362 176.117 -0.108 0.000 1.093 765 I CA 1.586 62.770 61.300 -0.193 0.000 1.380 765 I CB -0.301 37.484 38.000 -0.358 0.000 1.067 765 I HN 0.313 nan 8.210 nan 0.000 0.413 766 D N 1.231 121.522 120.400 -0.182 0.000 2.097 766 D HA -0.208 4.363 4.640 -0.116 0.000 0.195 766 D C 2.089 178.359 176.300 -0.050 0.000 0.989 766 D CA 1.426 55.334 54.000 -0.152 0.000 0.827 766 D CB 0.004 40.633 40.800 -0.284 0.000 0.966 766 D HN 0.029 nan 8.370 nan 0.000 0.456 767 L N 0.579 121.754 121.223 -0.080 0.000 1.990 767 L HA -0.165 4.105 4.340 -0.116 0.000 0.213 767 L C 2.705 179.704 176.870 0.216 0.000 1.072 767 L CA 1.764 56.606 54.840 0.003 0.000 0.755 767 L CB -0.944 40.922 42.059 -0.322 0.000 0.889 767 L HN 0.054 nan 8.230 nan 0.000 0.432 768 S N -1.371 114.480 115.700 0.252 0.000 2.382 768 S HA -0.146 4.254 4.470 -0.116 0.000 0.228 768 S C 2.022 176.671 174.600 0.083 0.000 1.027 768 S CA 1.324 59.661 58.200 0.228 0.000 0.991 768 S CB -0.317 63.054 63.200 0.285 0.000 0.823 768 S HN 0.236 nan 8.310 nan 0.000 0.469 769 V N 2.847 122.804 119.914 0.072 0.000 2.407 769 V HA -0.056 3.995 4.120 -0.116 0.000 0.245 769 V C 2.144 178.281 176.094 0.072 0.000 1.041 769 V CA 1.436 63.768 62.300 0.052 0.000 1.040 769 V CB -0.679 31.171 31.823 0.045 0.000 0.671 769 V HN 0.641 nan 8.190 nan 0.000 0.455 770 I N -1.545 119.093 120.570 0.113 0.000 2.676 770 I HA -0.119 3.982 4.170 -0.116 0.000 0.259 770 I C 2.186 178.395 176.117 0.153 0.000 1.194 770 I CA 1.711 63.090 61.300 0.131 0.000 1.473 770 I CB -0.463 37.627 38.000 0.149 0.000 1.096 770 I HN 0.345 nan 8.210 nan 0.000 0.443 771 E N 1.825 122.117 120.200 0.153 0.000 2.152 771 E HA -0.132 4.149 4.350 -0.116 0.000 0.192 771 E C 2.246 178.798 176.600 -0.081 0.000 0.983 771 E CA 1.058 57.421 56.400 -0.061 0.000 0.818 771 E CB 0.014 29.600 29.700 -0.190 0.000 0.758 771 E HN 0.669 nan 8.360 nan 0.000 0.467 772 I N 0.522 121.068 120.570 -0.040 0.000 2.439 772 I HA -0.214 3.887 4.170 -0.116 0.000 0.251 772 I C 1.929 178.052 176.117 0.011 0.000 1.139 772 I CA 0.293 61.576 61.300 -0.027 0.000 1.438 772 I CB 0.009 37.996 38.000 -0.023 0.000 1.085 772 I HN 0.157 nan 8.210 nan 0.000 0.427 773 L N -0.068 121.159 121.223 0.007 0.000 2.291 773 L HA -0.053 4.217 4.340 -0.116 0.000 0.214 773 L C 2.138 178.953 176.870 -0.091 0.000 1.120 773 L CA 1.506 56.330 54.840 -0.027 0.000 0.799 773 L CB -0.565 41.458 42.059 -0.060 0.000 0.925 773 L HN 0.033 nan 8.230 nan 0.000 0.446 774 S N -1.420 114.278 115.700 -0.003 0.000 2.577 774 S HA 0.168 4.568 4.470 -0.116 0.000 0.219 774 S C 0.788 175.506 174.600 0.195 0.000 0.962 774 S CA -0.285 57.969 58.200 0.090 0.000 0.921 774 S CB -0.025 63.251 63.200 0.126 0.000 0.789 774 S HN 0.278 nan 8.310 nan 0.000 0.497 775 R N 1.459 122.042 120.500 0.138 0.000 2.514 775 R HA 0.253 4.523 4.340 -0.116 0.000 0.301 775 R C -1.256 175.100 176.300 0.093 0.000 0.962 775 R CA -0.507 55.635 56.100 0.070 0.000 0.882 775 R CB 0.479 30.788 30.300 0.015 0.000 1.143 775 R HN 0.153 nan 8.270 nan 0.000 0.452 776 H N 2.494 121.616 119.070 0.085 0.000 2.723 776 H HA 0.191 4.676 4.556 -0.119 0.000 0.294 776 H C 0.048 175.384 175.328 0.013 0.000 1.079 776 H CA -0.007 56.048 56.048 0.011 0.000 1.411 776 H CB 1.243 30.977 29.762 -0.047 0.000 1.439 776 H HN 0.744 nan 8.280 nan 0.000 0.474 777 A N 3.011 125.908 122.820 0.129 0.000 2.561 777 A HA -0.045 4.205 4.320 -0.116 0.000 0.234 777 A C 1.707 179.318 177.584 0.045 0.000 1.055 777 A CA 0.666 52.726 52.037 0.038 0.000 0.756 777 A CB 0.256 19.254 19.000 -0.005 0.000 0.986 777 A HN 0.795 nan 8.150 nan 0.000 0.505 778 S N 0.331 116.044 115.700 0.021 0.000 2.423 778 S HA -0.126 4.274 4.470 -0.116 0.000 0.231 778 S C 1.007 175.631 174.600 0.039 0.000 1.014 778 S CA 1.552 59.771 58.200 0.032 0.000 0.965 778 S CB -0.378 62.833 63.200 0.017 0.000 0.785 778 S HN 0.848 nan 8.310 nan 0.000 0.495 779 D N 0.507 120.930 120.400 0.038 0.000 2.491 779 D HA 0.183 4.754 4.640 -0.116 0.000 0.228 779 D C 0.172 176.472 176.300 0.000 0.000 1.183 779 D CA -0.348 53.675 54.000 0.039 0.000 0.827 779 D CB -0.446 40.390 40.800 0.061 0.000 0.989 779 D HN 0.336 nan 8.370 nan 0.000 0.494 780 E N 0.323 120.502 120.200 -0.035 0.000 2.392 780 E HA 0.218 4.499 4.350 -0.116 0.000 0.264 780 E C -0.827 175.626 176.600 -0.246 0.000 1.024 780 E CA -0.447 55.833 56.400 -0.200 0.000 0.903 780 E CB 1.071 30.559 29.700 -0.354 0.000 0.963 780 E HN -0.032 nan 8.360 nan 0.000 0.432 781 V N 5.806 125.528 119.914 -0.319 0.000 2.357 781 V HA 0.282 4.333 4.120 -0.116 0.000 0.284 781 V C -0.738 175.166 176.094 -0.316 0.000 1.018 781 V CA -0.681 61.498 62.300 -0.202 0.000 0.841 781 V CB 0.130 31.862 31.823 -0.152 0.000 0.991 781 V HN 0.598 nan 8.190 nan 0.000 0.437 782 Y N 2.858 123.083 120.300 -0.125 0.000 2.403 782 Y HA 0.525 5.052 4.550 -0.039 0.000 0.323 782 Y C 0.284 176.113 175.900 -0.118 0.000 1.226 782 Y CA -1.195 56.824 58.100 -0.135 0.000 1.235 782 Y CB 1.110 39.462 38.460 -0.181 0.000 1.248 782 Y HN 0.502 nan 8.280 nan 0.000 0.489 783 L N 2.609 123.873 121.223 0.067 0.000 2.706 783 L HA 0.075 4.346 4.340 -0.116 0.000 0.282 783 L C 1.272 178.045 176.870 -0.161 0.000 1.219 783 L CA 1.718 56.566 54.840 0.014 0.000 0.935 783 L CB -0.547 41.521 42.059 0.016 0.000 1.204 783 L HN 0.930 nan 8.230 nan 0.000 0.491 784 G N 2.673 111.405 108.800 -0.113 0.000 2.322 784 G HA2 -0.448 3.442 3.960 -0.116 0.000 0.264 784 G HA3 -0.448 3.442 3.960 -0.116 0.000 0.264 784 G C 1.058 175.504 174.900 -0.758 0.000 0.992 784 G CA 0.940 45.721 45.100 -0.532 0.000 0.624 784 G HN 0.711 nan 8.290 nan 0.000 0.543 785 E N 0.136 120.059 120.200 -0.462 0.000 2.140 785 E HA 0.085 4.366 4.350 -0.116 0.000 0.191 785 E C 1.248 177.693 176.600 -0.258 0.000 0.973 785 E CA 0.105 56.223 56.400 -0.470 0.000 0.829 785 E CB 0.124 29.649 29.700 -0.291 0.000 0.781 785 E HN 0.546 nan 8.360 nan 0.000 0.466 786 R N 0.988 121.489 120.500 0.001 0.000 2.445 786 R HA 0.404 4.675 4.340 -0.116 0.000 0.308 786 R C -1.026 175.384 176.300 0.185 0.000 0.961 786 R CA -0.427 55.740 56.100 0.111 0.000 0.862 786 R CB 1.732 32.064 30.300 0.054 0.000 1.144 786 R HN 0.015 nan 8.270 nan 0.000 0.447 787 D N -0.139 120.342 120.400 0.134 0.000 2.831 787 D HA 0.288 4.859 4.640 -0.116 0.000 0.240 787 D C 0.406 176.690 176.300 -0.028 0.000 1.183 787 D CA -0.547 53.383 54.000 -0.115 0.000 1.079 787 D CB 1.517 42.038 40.800 -0.464 0.000 1.262 787 D HN 0.433 nan 8.370 nan 0.000 0.634 788 N N -1.197 117.491 118.700 -0.019 0.000 2.333 788 N HA 0.240 4.911 4.740 -0.116 0.000 0.234 788 N C -1.590 174.002 175.510 0.138 0.000 1.035 788 N CA -0.104 52.999 53.050 0.088 0.000 1.171 788 N CB 0.061 38.625 38.487 0.129 0.000 1.503 788 N HN 0.230 nan 8.380 nan 0.000 0.624 789 P HA 0.270 nan 4.420 nan 0.000 0.177 789 P C -0.970 176.439 177.300 0.181 0.000 0.977 789 P CA 0.193 63.384 63.100 0.152 0.000 0.790 789 P CB 0.064 31.817 31.700 0.088 0.000 0.977 790 N N 1.211 119.962 118.700 0.086 0.000 3.052 790 N HA 0.053 4.724 4.740 -0.116 0.000 0.302 790 N C 1.023 176.572 175.510 0.066 0.000 1.332 790 N CA -0.473 52.579 53.050 0.003 0.000 1.129 790 N CB -0.393 38.002 38.487 -0.153 0.000 1.436 790 N HN 0.401 nan 8.380 nan 0.000 0.536 791 W N -0.590 120.728 121.300 0.030 0.000 2.331 791 W HA -0.079 4.520 4.660 -0.101 0.000 0.291 791 W C -0.101 176.448 176.519 0.050 0.000 1.214 791 W CA 0.589 57.961 57.345 0.046 0.000 1.228 791 W CB -0.730 28.749 29.460 0.032 0.000 1.135 791 W HN 0.092 nan 8.180 nan 0.000 0.537 792 T N 0.130 114.393 114.554 -0.484 0.000 2.923 792 T HA 0.305 4.586 4.350 -0.116 0.000 0.311 792 T C 0.667 175.156 174.700 -0.351 0.000 1.183 792 T CA 0.056 61.898 62.100 -0.430 0.000 1.020 792 T CB 1.540 70.056 68.868 -0.588 0.000 1.165 792 T HN 0.011 nan 8.240 nan 0.000 0.482 793 S N 1.931 117.500 115.700 -0.219 0.000 2.593 793 S HA 0.130 4.531 4.470 -0.116 0.000 0.217 793 S C 0.402 174.900 174.600 -0.170 0.000 0.966 793 S CA -0.290 57.817 58.200 -0.155 0.000 0.914 793 S CB -0.140 62.999 63.200 -0.100 0.000 0.776 793 S HN 0.700 nan 8.310 nan 0.000 0.523 794 D N 3.247 123.516 120.400 -0.218 0.000 2.344 794 D HA 0.144 4.715 4.640 -0.116 0.000 0.253 794 D C 1.379 177.587 176.300 -0.154 0.000 1.255 794 D CA 0.233 54.132 54.000 -0.168 0.000 0.894 794 D CB 1.298 42.024 40.800 -0.123 0.000 1.067 794 D HN 0.300 nan 8.370 nan 0.000 0.492 795 T N 1.412 115.904 114.554 -0.103 0.000 3.055 795 T HA -0.060 4.221 4.350 -0.116 0.000 0.265 795 T C 1.605 176.298 174.700 -0.011 0.000 1.111 795 T CA 0.498 62.564 62.100 -0.056 0.000 1.118 795 T CB 0.027 68.872 68.868 -0.039 0.000 0.909 795 T HN 0.354 nan 8.240 nan 0.000 0.501 796 R N 1.458 121.939 120.500 -0.033 0.000 2.090 796 R HA 0.323 4.593 4.340 -0.116 0.000 0.228 796 R C 2.932 179.284 176.300 0.086 0.000 1.110 796 R CA 1.096 57.191 56.100 -0.008 0.000 0.973 796 R CB -0.663 29.580 30.300 -0.095 0.000 0.869 796 R HN 0.458 nan 8.270 nan 0.000 0.440 797 A N 1.351 124.227 122.820 0.093 0.000 1.930 797 A HA -0.096 4.155 4.320 -0.116 0.000 0.217 797 A C 1.993 179.866 177.584 0.481 0.000 1.175 797 A CA 1.017 53.275 52.037 0.367 0.000 0.627 797 A CB -0.278 18.952 19.000 0.382 0.000 0.815 797 A HN 0.079 nan 8.150 nan 0.000 0.443 798 L N 0.010 121.363 121.223 0.216 0.000 2.046 798 L HA -0.150 4.120 4.340 -0.116 0.000 0.208 798 L C 2.355 179.403 176.870 0.297 0.000 1.077 798 L CA 1.984 56.989 54.840 0.274 0.000 0.747 798 L CB -1.131 40.981 42.059 0.089 0.000 0.896 798 L HN 0.485 nan 8.230 nan 0.000 0.432 799 E N -0.917 119.406 120.200 0.204 0.000 2.085 799 E HA -0.239 4.042 4.350 -0.116 0.000 0.194 799 E C 2.221 178.957 176.600 0.227 0.000 0.994 799 E CA 1.212 57.709 56.400 0.163 0.000 0.801 799 E CB -0.125 29.641 29.700 0.110 0.000 0.743 799 E HN 0.505 nan 8.360 nan 0.000 0.453 800 A N 0.893 123.922 122.820 0.348 0.000 1.877 800 A HA -0.196 4.054 4.320 -0.116 0.000 0.216 800 A C 1.970 179.832 177.584 0.464 0.000 1.186 800 A CA 1.157 53.494 52.037 0.501 0.000 0.620 800 A CB -0.745 18.689 19.000 0.723 0.000 0.822 800 A HN 0.349 nan 8.150 nan 0.000 0.443 801 F N 0.622 120.696 119.950 0.205 0.000 2.216 801 F HA -0.092 4.356 4.527 -0.130 0.000 0.300 801 F C 2.129 177.860 175.800 -0.116 0.000 1.085 801 F CA 1.726 59.559 58.000 -0.278 0.000 1.326 801 F CB -0.117 38.902 39.000 0.033 0.000 1.027 801 F HN 0.067 nan 8.300 nan 0.000 0.497 802 K N 0.306 120.705 120.400 -0.002 0.000 2.097 802 K HA -0.150 4.100 4.320 -0.116 0.000 0.206 802 K C 2.288 178.816 176.600 -0.121 0.000 1.049 802 K CA 1.131 57.341 56.287 -0.128 0.000 0.933 802 K CB -0.192 32.307 32.500 -0.002 0.000 0.717 802 K HN 0.268 nan 8.250 nan 0.000 0.442 803 R N -0.399 120.101 120.500 -0.000 0.000 2.075 803 R HA -0.116 4.155 4.340 -0.116 0.000 0.232 803 R C 2.202 178.532 176.300 0.052 0.000 1.126 803 R CA 1.232 57.356 56.100 0.041 0.000 0.963 803 R CB -0.389 29.983 30.300 0.119 0.000 0.858 803 R HN 0.113 nan 8.270 nan 0.000 0.435 804 F N 0.848 120.684 119.950 -0.190 0.000 2.065 804 F HA -0.130 4.329 4.527 -0.114 0.000 0.298 804 F C 2.124 177.744 175.800 -0.301 0.000 1.112 804 F CA 1.836 59.677 58.000 -0.265 0.000 1.212 804 F CB -1.082 37.546 39.000 -0.619 0.000 0.975 804 F HN 0.038 nan 8.300 nan 0.000 0.476 805 G N -0.418 108.069 108.800 -0.523 0.000 2.418 805 G HA2 -0.311 3.580 3.960 -0.116 0.000 0.217 805 G HA3 -0.311 3.580 3.960 -0.116 0.000 0.217 805 G C 1.572 176.271 174.900 -0.335 0.000 1.158 805 G CA 0.882 45.632 45.100 -0.584 0.000 0.771 805 G HN 0.498 nan 8.290 nan 0.000 0.545 806 N N -0.174 118.392 118.700 -0.224 0.000 2.166 806 N HA -0.094 4.576 4.740 -0.116 0.000 0.186 806 N C 2.127 177.581 175.510 -0.093 0.000 1.019 806 N CA 0.729 53.700 53.050 -0.132 0.000 0.856 806 N CB -0.023 38.416 38.487 -0.080 0.000 0.993 806 N HN 0.003 nan 8.380 nan 0.000 0.426 807 K N 1.442 121.805 120.400 -0.061 0.000 2.097 807 K HA 0.027 4.278 4.320 -0.116 0.000 0.205 807 K C 1.769 178.342 176.600 -0.045 0.000 1.050 807 K CA 0.869 57.155 56.287 -0.001 0.000 0.938 807 K CB -0.465 32.098 32.500 0.105 0.000 0.718 807 K HN 0.190 nan 8.250 nan 0.000 0.442 808 L N -0.137 120.998 121.223 -0.147 0.000 2.141 808 L HA -0.131 4.140 4.340 -0.116 0.000 0.209 808 L C 2.324 179.112 176.870 -0.138 0.000 1.094 808 L CA 1.234 55.969 54.840 -0.175 0.000 0.763 808 L CB -0.449 41.399 42.059 -0.351 0.000 0.908 808 L HN 0.091 nan 8.230 nan 0.000 0.437 809 A N -0.504 122.229 122.820 -0.146 0.000 1.897 809 A HA -0.196 4.054 4.320 -0.116 0.000 0.215 809 A C 2.228 179.766 177.584 -0.077 0.000 1.181 809 A CA 1.152 53.117 52.037 -0.120 0.000 0.620 809 A CB -0.343 18.582 19.000 -0.125 0.000 0.821 809 A HN 0.437 nan 8.150 nan 0.000 0.443 810 Q N -0.439 119.326 119.800 -0.058 0.000 2.084 810 Q HA -0.113 4.158 4.340 -0.116 0.000 0.202 810 Q C 1.998 177.990 176.000 -0.014 0.000 0.978 810 Q CA 1.492 57.278 55.803 -0.029 0.000 0.844 810 Q CB -0.356 28.373 28.738 -0.015 0.000 0.898 810 Q HN 0.726 nan 8.270 nan 0.000 0.426 811 I N 0.838 121.401 120.570 -0.010 0.000 2.163 811 I HA -0.307 3.794 4.170 -0.116 0.000 0.243 811 I C 2.469 178.581 176.117 -0.009 0.000 1.085 811 I CA 1.322 62.627 61.300 0.008 0.000 1.347 811 I CB -0.251 37.763 38.000 0.024 0.000 1.044 811 I HN 0.286 nan 8.210 nan 0.000 0.408 812 E N 1.000 121.176 120.200 -0.041 0.000 2.085 812 E HA -0.261 4.020 4.350 -0.116 0.000 0.194 812 E C 1.946 178.524 176.600 -0.036 0.000 0.994 812 E CA 1.407 57.776 56.400 -0.052 0.000 0.801 812 E CB -0.062 29.585 29.700 -0.088 0.000 0.743 812 E HN 0.489 nan 8.360 nan 0.000 0.453 813 N N -0.036 118.645 118.700 -0.032 0.000 2.244 813 N HA -0.166 4.504 4.740 -0.116 0.000 0.183 813 N C 1.828 177.336 175.510 -0.003 0.000 1.016 813 N CA 0.788 53.826 53.050 -0.021 0.000 0.866 813 N CB -0.000 38.473 38.487 -0.023 0.000 0.980 813 N HN 0.067 nan 8.380 nan 0.000 0.430 814 K N 0.529 120.932 120.400 0.006 0.000 2.155 814 K HA -0.057 4.194 4.320 -0.116 0.000 0.203 814 K C 1.666 178.285 176.600 0.032 0.000 1.052 814 K CA 0.629 56.928 56.287 0.021 0.000 0.948 814 K CB 0.174 32.691 32.500 0.029 0.000 0.728 814 K HN -0.019 nan 8.250 nan 0.000 0.448 815 L N 0.455 121.696 121.223 0.030 0.000 2.162 815 L HA 0.053 4.324 4.340 -0.116 0.000 0.205 815 L C 2.126 179.020 176.870 0.041 0.000 1.086 815 L CA 1.372 56.241 54.840 0.048 0.000 0.778 815 L CB -0.583 41.501 42.059 0.042 0.000 0.928 815 L HN 0.056 nan 8.230 nan 0.000 0.446 816 S N -0.713 114.997 115.700 0.017 0.000 2.382 816 S HA -0.208 4.193 4.470 -0.116 0.000 0.228 816 S C 1.901 176.514 174.600 0.023 0.000 1.027 816 S CA 1.143 59.352 58.200 0.014 0.000 0.991 816 S CB -0.096 63.100 63.200 -0.006 0.000 0.823 816 S HN 0.431 nan 8.310 nan 0.000 0.469 817 E N 0.658 120.871 120.200 0.021 0.000 2.106 817 E HA -0.079 4.202 4.350 -0.116 0.000 0.192 817 E C 2.274 178.895 176.600 0.035 0.000 0.984 817 E CA 0.702 57.116 56.400 0.023 0.000 0.806 817 E CB 0.081 29.791 29.700 0.017 0.000 0.750 817 E HN 0.361 nan 8.360 nan 0.000 0.458 818 R N 0.148 120.676 120.500 0.047 0.000 2.092 818 R HA -0.027 4.244 4.340 -0.116 0.000 0.231 818 R C 2.046 178.388 176.300 0.070 0.000 1.119 818 R CA 1.335 57.471 56.100 0.059 0.000 0.970 818 R CB -0.256 30.089 30.300 0.075 0.000 0.864 818 R HN 0.207 nan 8.270 nan 0.000 0.440 819 N N 0.579 119.325 118.700 0.077 0.000 2.348 819 N HA -0.105 4.565 4.740 -0.116 0.000 0.185 819 N C 0.572 176.120 175.510 0.064 0.000 1.019 819 N CA 0.612 53.713 53.050 0.086 0.000 0.880 819 N CB -0.010 38.526 38.487 0.081 0.000 0.965 819 N HN 0.229 nan 8.380 nan 0.000 0.437 820 N N 0.660 119.388 118.700 0.047 0.000 2.322 820 N HA -0.026 4.644 4.740 -0.116 0.000 0.194 820 N C -0.613 174.917 175.510 0.034 0.000 1.126 820 N CA 0.422 53.494 53.050 0.036 0.000 0.845 820 N CB 0.188 38.690 38.487 0.026 0.000 0.976 820 N HN 0.113 nan 8.380 nan 0.000 0.475 821 D N 1.416 121.839 120.400 0.040 0.000 2.468 821 D HA 0.013 4.583 4.640 -0.116 0.000 0.218 821 D C 1.097 177.418 176.300 0.035 0.000 1.155 821 D CA -0.102 53.919 54.000 0.034 0.000 0.924 821 D CB 0.659 41.480 40.800 0.036 0.000 1.029 821 D HN 0.047 nan 8.370 nan 0.000 0.515 822 E N 3.172 123.389 120.200 0.029 0.000 2.113 822 E HA -0.293 3.988 4.350 -0.116 0.000 0.210 822 E C 1.086 177.701 176.600 0.026 0.000 1.040 822 E CA 1.438 57.854 56.400 0.027 0.000 0.847 822 E CB 0.280 29.992 29.700 0.021 0.000 0.755 822 E HN 0.451 nan 8.360 nan 0.000 0.459 823 K N -0.201 120.212 120.400 0.022 0.000 2.218 823 K HA -0.091 4.159 4.320 -0.116 0.000 0.205 823 K C 1.028 177.640 176.600 0.020 0.000 1.046 823 K CA 0.649 56.946 56.287 0.018 0.000 0.933 823 K CB -0.154 32.355 32.500 0.015 0.000 0.728 823 K HN 0.184 nan 8.250 nan 0.000 0.454 824 L N 1.665 122.905 121.223 0.029 0.000 2.536 824 L HA 0.176 4.446 4.340 -0.116 0.000 0.242 824 L C 1.213 178.106 176.870 0.039 0.000 1.280 824 L CA -0.549 54.311 54.840 0.033 0.000 1.221 824 L CB 0.282 42.369 42.059 0.046 0.000 1.449 824 L HN -0.036 nan 8.230 nan 0.000 0.405 825 R N 1.562 122.079 120.500 0.027 0.000 2.139 825 R HA -0.182 4.088 4.340 -0.116 0.000 0.243 825 R C 1.505 177.829 176.300 0.040 0.000 1.145 825 R CA 1.586 57.706 56.100 0.032 0.000 0.976 825 R CB -0.192 30.120 30.300 0.020 0.000 0.866 825 R HN 0.480 nan 8.270 nan 0.000 0.449 826 N N 0.006 118.723 118.700 0.027 0.000 2.521 826 N HA -0.073 4.597 4.740 -0.116 0.000 0.188 826 N C 1.323 176.870 175.510 0.061 0.000 1.146 826 N CA 0.458 53.521 53.050 0.022 0.000 0.893 826 N CB -0.091 38.380 38.487 -0.026 0.000 0.975 826 N HN 0.266 nan 8.380 nan 0.000 0.451 827 R N 0.346 120.900 120.500 0.091 0.000 2.093 827 R HA -0.020 4.251 4.340 -0.116 0.000 0.224 827 R C 1.988 178.411 176.300 0.205 0.000 1.101 827 R CA 1.515 57.709 56.100 0.157 0.000 0.979 827 R CB 0.158 30.543 30.300 0.142 0.000 0.877 827 R HN 0.441 nan 8.270 nan 0.000 0.441 828 C N -3.605 115.784 119.300 0.148 0.000 2.485 828 C HA 0.688 5.079 4.460 -0.116 0.000 0.445 828 C C 1.211 176.275 174.990 0.124 0.000 1.404 828 C CA -0.024 59.081 59.018 0.147 0.000 2.577 828 C CB -0.045 27.759 27.740 0.107 0.000 2.780 828 C HN 0.577 nan 8.230 nan 0.000 0.574 829 G N 1.943 110.798 108.800 0.091 0.000 2.760 829 G HA2 -0.044 3.847 3.960 -0.116 0.000 0.246 829 G HA3 -0.044 3.847 3.960 -0.116 0.000 0.246 829 G C -2.082 172.858 174.900 0.066 0.000 1.359 829 G CA 0.076 45.224 45.100 0.079 0.000 0.861 829 G HN 0.352 nan 8.290 nan 0.000 0.541 830 P HA 0.141 nan 4.420 nan 0.000 0.240 830 P C 1.616 178.945 177.300 0.048 0.000 1.190 830 P CA 0.934 64.061 63.100 0.045 0.000 0.781 830 P CB 0.331 32.053 31.700 0.037 0.000 0.931 831 V N -0.173 119.782 119.914 0.068 0.000 3.217 831 V HA -0.057 3.993 4.120 -0.116 0.000 0.264 831 V C 0.839 176.951 176.094 0.030 0.000 1.135 831 V CA 0.812 63.151 62.300 0.064 0.000 1.142 831 V CB -1.237 30.652 31.823 0.110 0.000 0.754 831 V HN 0.184 nan 8.190 nan 0.000 0.484 832 Q N 0.403 120.228 119.800 0.043 0.000 2.426 832 Q HA -0.240 4.031 4.340 -0.116 0.000 0.359 832 Q C -0.151 175.865 176.000 0.027 0.000 1.381 832 Q CA 1.295 57.120 55.803 0.038 0.000 1.060 832 Q CB -1.043 27.711 28.738 0.027 0.000 1.253 832 Q HN 0.698 nan 8.270 nan 0.000 0.363 833 M N 0.808 120.436 119.600 0.047 0.000 1.956 833 M HA 0.333 4.743 4.480 -0.116 0.000 0.256 833 M C -2.671 173.728 176.300 0.166 0.000 0.869 833 M CA -1.751 53.559 55.300 0.017 0.000 0.886 833 M CB 1.728 34.241 32.600 -0.145 0.000 1.739 833 M HN -0.217 nan 8.290 nan 0.000 0.381 834 P HA -0.039 nan 4.420 nan 0.000 0.265 834 P C -1.417 176.095 177.300 0.354 0.000 1.193 834 P CA 0.254 63.491 63.100 0.228 0.000 0.765 834 P CB 0.074 31.863 31.700 0.148 0.000 0.823 835 Y N 3.279 123.724 120.300 0.241 0.000 2.680 835 Y HA 0.102 4.586 4.550 -0.111 0.000 0.356 835 Y C 0.945 176.892 175.900 0.078 0.000 1.122 835 Y CA 0.573 58.824 58.100 0.251 0.000 1.509 835 Y CB -0.350 38.241 38.460 0.219 0.000 1.245 835 Y HN 0.346 nan 8.280 nan 0.000 0.513 836 T N 2.079 116.347 114.554 -0.476 0.000 3.085 836 T HA 0.046 4.326 4.350 -0.116 0.000 0.264 836 T C 1.129 175.423 174.700 -0.676 0.000 1.019 836 T CA -0.202 61.638 62.100 -0.432 0.000 0.910 836 T CB -0.004 68.743 68.868 -0.202 0.000 1.059 836 T HN 0.466 nan 8.240 nan 0.000 0.542 837 L N 0.678 121.213 121.223 -1.147 0.000 2.549 837 L HA 0.316 4.586 4.340 -0.116 0.000 0.229 837 L C 1.065 177.705 176.870 -0.383 0.000 1.158 837 L CA 0.816 55.165 54.840 -0.819 0.000 0.842 837 L CB -0.555 41.019 42.059 -0.809 0.000 0.952 837 L HN 0.302 nan 8.230 nan 0.000 0.452 838 L N -1.022 120.003 121.223 -0.331 0.000 3.069 838 L HA 0.261 4.532 4.340 -0.116 0.000 0.271 838 L C -0.143 176.684 176.870 -0.072 0.000 1.201 838 L CA -0.330 54.462 54.840 -0.080 0.000 1.015 838 L CB -0.140 41.967 42.059 0.081 0.000 1.371 838 L HN -0.042 nan 8.230 nan 0.000 0.574 839 L N 2.572 123.712 121.223 -0.139 0.000 2.477 839 L HA 0.181 4.452 4.340 -0.116 0.000 0.272 839 L C -0.945 175.854 176.870 -0.118 0.000 1.157 839 L CA -0.683 54.086 54.840 -0.118 0.000 0.889 839 L CB 0.401 42.373 42.059 -0.145 0.000 1.158 839 L HN -0.016 nan 8.230 nan 0.000 0.473 840 P HA -0.056 nan 4.420 nan 0.000 0.221 840 P C 0.125 177.307 177.300 -0.198 0.000 1.150 840 P CA 0.562 63.598 63.100 -0.106 0.000 0.800 840 P CB 0.216 31.843 31.700 -0.123 0.000 0.787 841 S N -1.783 113.739 115.700 -0.296 0.000 2.681 841 S HA 0.690 5.090 4.470 -0.116 0.000 0.299 841 S C -0.223 174.046 174.600 -0.551 0.000 1.113 841 S CA -0.597 57.285 58.200 -0.528 0.000 1.013 841 S CB 1.623 64.571 63.200 -0.420 0.000 1.076 841 S HN 0.005 nan 8.310 nan 0.000 0.534 842 S N 0.103 115.337 115.700 -0.776 0.000 2.558 842 S HA 0.448 4.848 4.470 -0.116 0.000 0.277 842 S C -1.422 172.903 174.600 -0.459 0.000 1.143 842 S CA -0.888 56.982 58.200 -0.550 0.000 0.865 842 S CB 0.854 63.697 63.200 -0.596 0.000 1.102 842 S HN 0.835 nan 8.310 nan 0.000 0.454 843 K N 1.848 122.109 120.400 -0.231 0.000 2.136 843 K HA 0.382 4.632 4.320 -0.116 0.000 0.237 843 K C 0.329 176.894 176.600 -0.058 0.000 1.048 843 K CA -0.662 55.549 56.287 -0.126 0.000 0.880 843 K CB 0.142 32.600 32.500 -0.070 0.000 1.105 843 K HN 0.670 nan 8.250 nan 0.000 0.507 844 E N -0.182 120.020 120.200 0.004 0.000 2.416 844 E HA 0.394 4.674 4.350 -0.116 0.000 0.254 844 E C 0.696 177.347 176.600 0.086 0.000 1.241 844 E CA -0.237 56.205 56.400 0.069 0.000 0.969 844 E CB -0.012 29.718 29.700 0.050 0.000 0.999 844 E HN 0.665 nan 8.360 nan 0.000 0.481 845 G N -0.426 108.440 108.800 0.109 0.000 2.587 845 G HA2 -0.196 3.695 3.960 -0.116 0.000 0.212 845 G HA3 -0.196 3.695 3.960 -0.116 0.000 0.212 845 G C -0.990 173.949 174.900 0.065 0.000 1.327 845 G CA -0.448 44.690 45.100 0.062 0.000 0.898 845 G HN 0.461 nan 8.290 nan 0.000 0.551 846 L N 2.628 123.866 121.223 0.025 0.000 2.391 846 L HA 0.466 4.736 4.340 -0.116 0.000 0.249 846 L C 1.586 178.497 176.870 0.068 0.000 1.308 846 L CA 0.739 55.593 54.840 0.022 0.000 1.209 846 L CB -1.214 40.819 42.059 -0.043 0.000 1.401 846 L HN 0.995 nan 8.230 nan 0.000 0.416 847 T N -1.722 112.895 114.554 0.105 0.000 2.902 847 T HA 0.292 4.573 4.350 -0.116 0.000 0.283 847 T C 0.112 174.914 174.700 0.169 0.000 1.009 847 T CA -0.627 61.542 62.100 0.116 0.000 1.051 847 T CB 1.255 70.186 68.868 0.104 0.000 0.999 847 T HN 0.192 nan 8.240 nan 0.000 0.474 848 F N 4.038 123.985 119.950 -0.005 0.000 2.871 848 F HA 0.385 4.844 4.527 -0.114 0.000 0.317 848 F C 0.514 176.306 175.800 -0.013 0.000 1.193 848 F CA -1.077 56.919 58.000 -0.008 0.000 1.311 848 F CB -0.810 38.157 39.000 -0.056 0.000 1.380 848 F HN 0.797 nan 8.300 nan 0.000 0.557 849 R N -0.305 120.141 120.500 -0.090 0.000 2.764 849 R HA 0.704 4.975 4.340 -0.116 0.000 0.276 849 R C -0.562 175.736 176.300 -0.003 0.000 1.021 849 R CA -0.946 55.068 56.100 -0.144 0.000 0.870 849 R CB 0.568 30.775 30.300 -0.154 0.000 1.293 849 R HN 0.521 nan 8.270 nan 0.000 0.469 850 G N 0.623 109.370 108.800 -0.088 0.000 3.338 850 G HA2 0.002 3.893 3.960 -0.116 0.000 0.686 850 G HA3 0.002 3.893 3.960 -0.116 0.000 0.686 850 G C -0.841 174.090 174.900 0.051 0.000 1.053 850 G CA -0.536 44.514 45.100 -0.084 0.000 0.852 850 G HN 0.528 nan 8.290 nan 0.000 0.545 851 I N 4.565 125.208 120.570 0.121 0.000 2.330 851 I HA 0.276 4.376 4.170 -0.116 0.000 0.286 851 I C -1.965 174.234 176.117 0.136 0.000 1.025 851 I CA -2.275 59.104 61.300 0.131 0.000 1.197 851 I CB 1.941 39.987 38.000 0.078 0.000 1.358 851 I HN 0.191 nan 8.210 nan 0.000 0.467 852 P HA 0.115 nan 4.420 nan 0.000 0.272 852 P C 0.340 177.632 177.300 -0.015 0.000 1.230 852 P CA -0.245 62.773 63.100 -0.136 0.000 0.788 852 P CB 0.691 32.373 31.700 -0.030 0.000 0.949 853 N N -0.616 118.029 118.700 -0.091 0.000 2.223 853 N HA -0.077 4.593 4.740 -0.116 0.000 0.185 853 N C 0.882 176.427 175.510 0.058 0.000 1.016 853 N CA 1.253 54.281 53.050 -0.036 0.000 0.863 853 N CB -0.040 38.270 38.487 -0.294 0.000 0.983 853 N HN 0.562 nan 8.380 nan 0.000 0.429 854 S N -1.016 114.662 115.700 -0.038 0.000 2.851 854 S HA 0.539 4.940 4.470 -0.116 0.000 0.317 854 S C -0.404 174.133 174.600 -0.105 0.000 1.144 854 S CA -0.824 57.352 58.200 -0.040 0.000 0.862 854 S CB 1.207 64.344 63.200 -0.105 0.000 1.259 854 S HN -0.010 nan 8.310 nan 0.000 0.564 855 I N 2.769 123.189 120.570 -0.252 0.000 2.276 855 I HA 0.223 4.324 4.170 -0.116 0.000 0.290 855 I C 0.684 176.588 176.117 -0.356 0.000 1.109 855 I CA -0.318 60.610 61.300 -0.620 0.000 1.229 855 I CB 0.937 38.474 38.000 -0.771 0.000 1.452 855 I HN 0.793 nan 8.210 nan 0.000 0.497 856 S N 4.749 120.342 115.700 -0.178 0.000 2.524 856 S HA 0.305 4.706 4.470 -0.116 0.000 0.215 856 S C 0.216 174.846 174.600 0.050 0.000 0.986 856 S CA -0.192 57.970 58.200 -0.064 0.000 0.911 856 S CB 0.355 63.525 63.200 -0.050 0.000 0.805 856 S HN 0.466 nan 8.310 nan 0.000 0.501 857 I N 0.000 120.635 120.570 0.108 0.000 2.984 857 I HA 0.000 4.100 4.170 -0.116 0.000 0.288 857 I CA 0.000 61.434 61.300 0.223 0.000 1.566 857 I CB 0.000 38.132 38.000 0.219 0.000 1.214 857 I HN 0.000 nan 8.210 nan 0.000 0.494