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 3iii_1_A DATA FIRST_RESID 3 DATA SEQUENCE QHLLGNPKLT VTHVNEVKAG INHIVVDSVQ YGNQEXIXEK DGTVEXRDGE DATA SEQUENCE KLYINIFRPN KDGKFPVVXS ADTYGKDNKP KXXNXGALWP TLGTIPTSSF DATA SEQUENCE TPEESPDPGF WVPNDYVVVK VALRGSDKSK GVLSPWSKRE AEDYYEVIEW DATA SEQUENCE AANQSWSNGN IGTNGVSYLA VTQWWVASLN PPHLKAXIPW EGLNDXYREV DATA SEQUENCE AFHGGIPDTG FYRFWTQGIF ARWTDNPNIE DLIQAQQEHP LFDDFWKQRQ DATA SEQUENCE VPLSQIKTPL LTCASWSTQG LHNRGSFEGF KQAASEEKWL YVHGRKEWES DATA SEQUENCE YYARENLERQ KSFFDFYLKE ENNDWKDTPH VIYEVRDQFY KGEFKSASAF DATA SEQUENCE PLPNAEYTPL YLNAENHTLN HAKISSAHVA QYDSEDKQQD VSFKYTFDKD DATA SEQUENCE TELVGNXNLK LWVSTKDSDD XDLFAGIKKL DRRGNEVNFP DFNHIENGQV DATA SEQUENCE ATGWLRVSHR ELDQEKSSIA QPWHKHETEL KLSQDEIVPV EIELLPSGTL DATA SEQUENCE FKQGETLEVV VKGSEIVIGN STPGXKTRYE HEETVNKGXH XIYTGGKYDS DATA SEQUENCE QLIIPIVN 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.018 176.000 0.031 0.000 1.003 3 Q CA 0.000 55.824 55.803 0.036 0.000 1.022 3 Q CB 0.000 28.760 28.738 0.036 0.000 1.108 4 H N -0.225 118.822 119.070 -0.039 0.000 2.495 4 H HA 0.257 4.815 4.556 0.004 0.000 0.287 4 H C 0.900 176.186 175.328 -0.070 0.000 1.033 4 H CA 1.486 57.505 56.048 -0.050 0.000 1.307 4 H CB 0.029 29.755 29.762 -0.060 0.000 1.401 4 H HN 0.375 nan 8.280 nan 0.000 0.555 5 L N 0.609 121.522 121.223 -0.515 0.000 2.610 5 L HA 0.019 4.361 4.340 0.003 0.000 0.232 5 L C 1.463 178.304 176.870 -0.049 0.000 1.149 5 L CA 0.262 54.844 54.840 -0.429 0.000 0.872 5 L CB -0.083 41.659 42.059 -0.530 0.000 0.992 5 L HN 0.414 nan 8.230 nan 0.000 0.447 6 L N -0.587 120.621 121.223 -0.024 0.000 2.492 6 L HA 0.183 4.525 4.340 0.003 0.000 0.223 6 L C 1.391 178.287 176.870 0.042 0.000 1.132 6 L CA 0.283 55.141 54.840 0.030 0.000 0.850 6 L CB -0.641 41.430 42.059 0.019 0.000 0.966 6 L HN 0.408 nan 8.230 nan 0.000 0.454 7 G N 1.094 109.916 108.800 0.036 0.000 2.698 7 G HA2 -0.320 3.642 3.960 0.003 0.000 0.233 7 G HA3 -0.320 3.642 3.960 0.003 0.000 0.233 7 G C -0.357 174.567 174.900 0.040 0.000 1.352 7 G CA -0.200 44.929 45.100 0.049 0.000 0.879 7 G HN 0.282 nan 8.290 nan 0.000 0.567 8 N N 1.194 119.916 118.700 0.037 0.000 2.623 8 N HA 0.496 5.238 4.740 0.003 0.000 0.256 8 N C -1.313 174.211 175.510 0.024 0.000 1.045 8 N CA -1.934 51.133 53.050 0.028 0.000 0.863 8 N CB 1.928 40.430 38.487 0.024 0.000 1.182 8 N HN 0.208 nan 8.380 nan 0.000 0.523 9 P HA 0.002 nan 4.420 nan 0.000 0.242 9 P C 0.539 177.849 177.300 0.016 0.000 1.197 9 P CA 0.454 63.566 63.100 0.020 0.000 0.765 9 P CB 0.507 32.218 31.700 0.018 0.000 0.936 10 K N -0.379 120.029 120.400 0.013 0.000 2.365 10 K HA 0.125 4.447 4.320 0.003 0.000 0.197 10 K C 1.120 177.724 176.600 0.007 0.000 1.042 10 K CA 0.219 56.511 56.287 0.009 0.000 0.987 10 K CB -0.133 32.371 32.500 0.007 0.000 0.779 10 K HN 0.322 nan 8.250 nan 0.000 0.484 11 L N 0.468 121.696 121.223 0.008 0.000 2.399 11 L HA 0.220 4.562 4.340 0.003 0.000 0.265 11 L C 0.698 177.569 176.870 0.001 0.000 1.089 11 L CA -0.454 54.389 54.840 0.003 0.000 0.802 11 L CB 1.162 43.225 42.059 0.007 0.000 1.180 11 L HN -0.217 nan 8.230 nan 0.000 0.454 12 T N 0.984 115.530 114.554 -0.014 0.000 2.837 12 T HA 0.381 4.733 4.350 0.003 0.000 0.285 12 T C -0.204 174.469 174.700 -0.045 0.000 0.984 12 T CA -0.489 61.591 62.100 -0.034 0.000 1.049 12 T CB 0.948 69.773 68.868 -0.071 0.000 0.947 12 T HN 0.241 nan 8.240 nan 0.000 0.472 13 V N 5.546 125.444 119.914 -0.027 0.000 2.655 13 V HA 0.120 4.242 4.120 0.003 0.000 0.300 13 V C 1.065 177.123 176.094 -0.060 0.000 1.044 13 V CA -0.013 62.299 62.300 0.019 0.000 1.095 13 V CB 1.003 32.886 31.823 0.100 0.000 0.952 13 V HN 1.010 nan 8.190 nan 0.000 0.485 14 T N 5.385 119.985 114.554 0.076 0.000 2.817 14 T HA 0.139 4.491 4.350 0.003 0.000 0.295 14 T C 0.017 174.867 174.700 0.251 0.000 0.958 14 T CA 0.076 62.253 62.100 0.128 0.000 1.157 14 T CB -0.366 68.639 68.868 0.228 0.000 0.898 14 T HN 0.690 nan 8.240 nan 0.000 0.536 15 H N 1.713 120.874 119.070 0.152 0.000 2.800 15 H HA 0.174 4.732 4.556 0.003 0.000 0.291 15 H C 1.312 176.663 175.328 0.038 0.000 1.076 15 H CA -0.734 55.352 56.048 0.063 0.000 1.452 15 H CB 0.913 30.696 29.762 0.034 0.000 1.461 15 H HN 0.397 nan 8.280 nan 0.000 0.488 16 V N 3.705 123.597 119.914 -0.036 0.000 2.515 16 V HA -0.251 3.871 4.120 0.003 0.000 0.250 16 V C 1.338 177.405 176.094 -0.045 0.000 1.058 16 V CA 1.783 63.951 62.300 -0.220 0.000 1.064 16 V CB -0.199 31.123 31.823 -0.835 0.000 0.675 16 V HN 0.767 nan 8.190 nan 0.000 0.461 17 N N 0.421 119.102 118.700 -0.032 0.000 2.573 17 N HA -0.098 4.644 4.740 0.003 0.000 0.187 17 N C 1.454 176.986 175.510 0.037 0.000 1.107 17 N CA 1.061 54.110 53.050 -0.002 0.000 0.918 17 N CB -0.091 38.385 38.487 -0.019 0.000 0.966 17 N HN 0.684 nan 8.380 nan 0.000 0.448 18 E N -0.419 119.824 120.200 0.072 0.000 2.476 18 E HA 0.109 4.461 4.350 0.003 0.000 0.199 18 E C -0.117 176.534 176.600 0.085 0.000 1.021 18 E CA -0.150 56.298 56.400 0.080 0.000 0.907 18 E CB 0.762 30.523 29.700 0.101 0.000 0.974 18 E HN -0.041 nan 8.360 nan 0.000 0.489 19 V N 2.612 122.590 119.914 0.107 0.000 2.655 19 V HA 0.016 4.138 4.120 0.003 0.000 0.300 19 V C 0.511 176.646 176.094 0.069 0.000 1.044 19 V CA 0.231 62.595 62.300 0.107 0.000 1.095 19 V CB 0.728 32.652 31.823 0.169 0.000 0.952 19 V HN 0.068 nan 8.190 nan 0.000 0.485 20 K N 2.318 122.749 120.400 0.052 0.000 2.258 20 K HA 0.733 5.054 4.320 0.003 0.000 0.236 20 K C 0.040 176.657 176.600 0.028 0.000 1.008 20 K CA -0.623 55.687 56.287 0.037 0.000 0.869 20 K CB 1.820 34.340 32.500 0.034 0.000 1.171 20 K HN 0.739 nan 8.250 nan 0.000 0.447 21 A N 0.239 123.075 122.820 0.026 0.000 2.520 21 A HA 0.463 4.785 4.320 0.003 0.000 0.235 21 A C 0.762 178.357 177.584 0.019 0.000 1.065 21 A CA 1.334 53.387 52.037 0.026 0.000 0.764 21 A CB -0.637 18.384 19.000 0.034 0.000 1.002 21 A HN 0.819 nan 8.150 nan 0.000 0.502 22 G N 0.021 108.828 108.800 0.012 0.000 2.466 22 G HA2 0.011 3.973 3.960 0.003 0.000 0.316 22 G HA3 0.011 3.973 3.960 0.003 0.000 0.316 22 G C -0.460 174.427 174.900 -0.021 0.000 1.270 22 G CA -0.390 44.715 45.100 0.008 0.000 0.982 22 G HN 1.107 nan 8.290 nan 0.000 0.506 23 I N 2.239 122.797 120.570 -0.020 0.000 2.352 23 I HA 0.297 4.469 4.170 0.003 0.000 0.290 23 I C 0.021 176.094 176.117 -0.073 0.000 1.036 23 I CA -0.487 60.773 61.300 -0.067 0.000 1.336 23 I CB 0.872 38.844 38.000 -0.048 0.000 1.407 23 I HN 0.341 nan 8.210 nan 0.000 0.497 24 N N 5.171 123.790 118.700 -0.136 0.000 2.238 24 N HA 0.367 5.108 4.740 0.003 0.000 0.302 24 N C -0.919 174.467 175.510 -0.206 0.000 1.072 24 N CA -0.740 52.256 53.050 -0.089 0.000 0.792 24 N CB 1.872 40.329 38.487 -0.051 0.000 1.425 24 N HN 0.503 nan 8.380 nan 0.000 0.478 25 H N 2.011 121.060 119.070 -0.034 0.000 2.594 25 H HA 0.376 4.934 4.556 0.003 0.000 0.304 25 H C 0.159 175.463 175.328 -0.040 0.000 1.068 25 H CA -0.192 55.832 56.048 -0.040 0.000 1.308 25 H CB 1.417 31.163 29.762 -0.027 0.000 1.409 25 H HN 0.555 nan 8.280 nan 0.000 0.460 26 I N -0.287 120.289 120.570 0.009 0.000 3.067 26 I HA 0.640 4.812 4.170 0.003 0.000 0.312 26 I C -0.967 175.125 176.117 -0.042 0.000 1.073 26 I CA -1.179 60.104 61.300 -0.030 0.000 1.016 26 I CB 2.298 40.219 38.000 -0.132 0.000 1.227 26 I HN 0.088 nan 8.210 nan 0.000 0.456 27 V N 3.738 123.629 119.914 -0.038 0.000 2.444 27 V HA 0.449 4.571 4.120 0.003 0.000 0.294 27 V C -0.119 175.964 176.094 -0.018 0.000 1.022 27 V CA -0.624 61.664 62.300 -0.021 0.000 0.850 27 V CB 1.601 33.429 31.823 0.008 0.000 0.992 27 V HN 0.569 nan 8.190 nan 0.000 0.426 28 V N 3.978 123.869 119.914 -0.038 0.000 2.472 28 V HA 0.345 4.467 4.120 0.003 0.000 0.290 28 V C -0.008 176.143 176.094 0.094 0.000 1.037 28 V CA -0.733 61.570 62.300 0.005 0.000 0.908 28 V CB 2.062 33.828 31.823 -0.095 0.000 0.985 28 V HN 1.014 nan 8.190 nan 0.000 0.454 29 D N 2.608 123.107 120.400 0.165 0.000 2.551 29 D HA 0.027 4.669 4.640 0.003 0.000 0.223 29 D C 0.413 176.757 176.300 0.074 0.000 1.144 29 D CA 0.034 54.100 54.000 0.109 0.000 1.025 29 D CB 0.721 41.587 40.800 0.111 0.000 1.085 29 D HN 0.328 nan 8.370 nan 0.000 0.506 30 S N 1.001 116.739 115.700 0.062 0.000 2.549 30 S HA 0.054 4.525 4.470 0.003 0.000 0.283 30 S C 1.418 176.004 174.600 -0.022 0.000 1.320 30 S CA -0.733 57.491 58.200 0.040 0.000 1.058 30 S CB 1.125 64.385 63.200 0.099 0.000 0.882 30 S HN 0.242 nan 8.310 nan 0.000 0.498 31 V N 4.913 124.783 119.914 -0.073 0.000 2.427 31 V HA -0.129 3.993 4.120 0.003 0.000 0.248 31 V C 2.107 178.087 176.094 -0.190 0.000 1.051 31 V CA 1.920 64.147 62.300 -0.120 0.000 1.048 31 V CB -0.630 31.107 31.823 -0.143 0.000 0.666 31 V HN 0.831 nan 8.190 nan 0.000 0.456 32 Q N -1.895 117.702 119.800 -0.338 0.000 2.349 32 Q HA 0.097 4.439 4.340 0.003 0.000 0.209 32 Q C 0.866 176.572 176.000 -0.490 0.000 0.920 32 Q CA 0.884 56.328 55.803 -0.598 0.000 0.901 32 Q CB 0.169 28.193 28.738 -1.190 0.000 1.021 32 Q HN 0.761 nan 8.270 nan 0.000 0.519 33 Y N -0.649 119.639 120.300 -0.019 0.000 2.719 33 Y HA 0.522 5.074 4.550 0.003 0.000 0.251 33 Y C 0.985 176.869 175.900 -0.027 0.000 1.159 33 Y CA -0.296 57.780 58.100 -0.041 0.000 1.166 33 Y CB 0.425 38.844 38.460 -0.069 0.000 1.219 33 Y HN 0.126 nan 8.280 nan 0.000 0.551 34 G N 1.191 110.039 108.800 0.081 0.000 2.569 34 G HA2 -0.319 3.642 3.960 0.003 0.000 0.259 34 G HA3 -0.319 3.642 3.960 0.003 0.000 0.259 34 G C -0.345 174.594 174.900 0.065 0.000 1.263 34 G CA -0.454 44.681 45.100 0.057 0.000 0.928 34 G HN 0.272 nan 8.290 nan 0.000 0.572 35 N N 2.026 120.757 118.700 0.053 0.000 2.405 35 N HA 0.367 5.109 4.740 0.003 0.000 0.260 35 N C -0.110 175.429 175.510 0.048 0.000 1.152 35 N CA 0.296 53.375 53.050 0.048 0.000 0.948 35 N CB 1.037 39.546 38.487 0.037 0.000 1.111 35 N HN 0.459 nan 8.380 nan 0.000 0.485 36 Q N 1.493 121.320 119.800 0.045 0.000 2.341 36 Q HA 0.166 4.508 4.340 0.003 0.000 0.268 36 Q C 0.088 176.095 176.000 0.010 0.000 1.013 36 Q CA -0.655 55.171 55.803 0.038 0.000 0.798 36 Q CB 1.794 30.564 28.738 0.054 0.000 1.253 36 Q HN 0.644 nan 8.270 nan 0.000 0.457 42 K N 2.225 122.559 120.400 -0.110 0.000 2.182 42 K HA 0.259 4.581 4.320 0.003 0.000 0.262 42 K C -0.597 176.006 176.600 0.005 0.000 0.957 42 K CA -0.234 56.016 56.287 -0.062 0.000 0.842 42 K CB 0.707 33.189 32.500 -0.031 0.000 1.099 42 K HN 0.445 nan 8.250 nan 0.000 0.438 43 D N 1.580 122.006 120.400 0.043 0.000 2.981 43 D HA -0.132 4.510 4.640 0.003 0.000 0.223 43 D C 0.104 176.463 176.300 0.099 0.000 1.151 43 D CA 1.325 55.398 54.000 0.122 0.000 0.827 43 D CB -1.343 39.532 40.800 0.125 0.000 1.101 43 D HN 0.823 nan 8.370 nan 0.000 0.426 44 G N 0.054 108.873 108.800 0.032 0.000 2.614 44 G HA2 0.395 4.357 3.960 0.003 0.000 0.239 44 G HA3 0.395 4.357 3.960 0.003 0.000 0.239 44 G C 0.538 175.337 174.900 -0.168 0.000 1.240 44 G CA 0.627 45.714 45.100 -0.021 0.000 0.842 44 G HN 0.293 nan 8.290 nan 0.000 0.584 45 T N -2.318 112.066 114.554 -0.283 0.000 2.887 45 T HA 0.639 4.991 4.350 0.003 0.000 0.288 45 T C -0.687 173.682 174.700 -0.552 0.000 1.021 45 T CA -0.826 60.968 62.100 -0.509 0.000 1.000 45 T CB 2.033 70.557 68.868 -0.573 0.000 1.034 45 T HN 0.466 nan 8.240 nan 0.000 0.467 46 V N 1.922 121.469 119.914 -0.612 0.000 2.540 46 V HA 0.547 4.669 4.120 0.003 0.000 0.302 46 V C 0.211 176.073 176.094 -0.386 0.000 1.035 46 V CA -0.848 61.049 62.300 -0.673 0.000 0.873 46 V CB 1.528 32.859 31.823 -0.819 0.000 0.992 46 V HN 1.080 nan 8.190 nan 0.000 0.428 50 D N 0.255 120.648 120.400 -0.013 0.000 2.349 50 D HA 0.123 4.765 4.640 0.003 0.000 0.224 50 D C 1.202 177.490 176.300 -0.019 0.000 1.029 50 D CA 1.186 55.177 54.000 -0.015 0.000 0.879 50 D CB 0.490 41.280 40.800 -0.016 0.000 0.906 50 D HN 0.427 nan 8.370 nan 0.000 0.528 51 G N 0.152 108.937 108.800 -0.024 0.000 2.217 51 G HA2 -0.315 3.647 3.960 0.003 0.000 0.246 51 G HA3 -0.315 3.647 3.960 0.003 0.000 0.246 51 G C 0.133 175.007 174.900 -0.043 0.000 0.990 51 G CA 0.171 45.253 45.100 -0.030 0.000 0.627 51 G HN 0.589 nan 8.290 nan 0.000 0.522 52 E N 1.417 121.591 120.200 -0.044 0.000 2.414 52 E HA 0.462 4.814 4.350 0.003 0.000 0.263 52 E C 0.469 177.014 176.600 -0.092 0.000 1.000 52 E CA 0.281 56.648 56.400 -0.054 0.000 0.914 52 E CB 0.285 29.956 29.700 -0.048 0.000 0.948 52 E HN 0.377 nan 8.360 nan 0.000 0.444 53 K N 3.587 123.921 120.400 -0.110 0.000 2.183 53 K HA 0.309 4.630 4.320 0.003 0.000 0.274 53 K C -0.944 175.499 176.600 -0.262 0.000 1.009 53 K CA -0.828 55.317 56.287 -0.237 0.000 0.888 53 K CB 0.827 33.139 32.500 -0.313 0.000 1.078 53 K HN 0.340 nan 8.250 nan 0.000 0.459 54 L N 3.490 124.514 121.223 -0.332 0.000 2.325 54 L HA 0.379 4.721 4.340 0.003 0.000 0.278 54 L C -0.887 175.725 176.870 -0.430 0.000 1.023 54 L CA -0.412 54.278 54.840 -0.250 0.000 0.811 54 L CB 0.731 42.687 42.059 -0.172 0.000 1.249 54 L HN 0.456 nan 8.230 nan 0.000 0.431 55 Y N 3.945 124.156 120.300 -0.148 0.000 2.342 55 Y HA 0.682 5.234 4.550 0.003 0.000 0.334 55 Y C 0.429 176.269 175.900 -0.100 0.000 1.067 55 Y CA -0.602 57.424 58.100 -0.124 0.000 1.128 55 Y CB 1.317 39.712 38.460 -0.108 0.000 1.200 55 Y HN 0.445 nan 8.280 nan 0.000 0.464 56 I N -0.556 120.026 120.570 0.021 0.000 3.074 56 I HA 0.670 4.842 4.170 0.003 0.000 0.310 56 I C -1.428 174.711 176.117 0.038 0.000 1.153 56 I CA -1.240 60.074 61.300 0.023 0.000 0.993 56 I CB 2.648 40.637 38.000 -0.018 0.000 1.237 56 I HN 0.385 nan 8.210 nan 0.000 0.443 57 N N 2.817 121.545 118.700 0.047 0.000 2.319 57 N HA 0.667 5.409 4.740 0.003 0.000 0.305 57 N C -1.266 174.204 175.510 -0.067 0.000 1.103 57 N CA -0.371 52.650 53.050 -0.049 0.000 0.815 57 N CB 2.700 41.159 38.487 -0.047 0.000 1.288 57 N HN 0.576 nan 8.380 nan 0.000 0.493 58 I N 1.670 122.098 120.570 -0.236 0.000 2.418 58 I HA 0.377 4.549 4.170 0.003 0.000 0.287 58 I C -0.931 174.917 176.117 -0.448 0.000 1.008 58 I CA -0.586 60.556 61.300 -0.264 0.000 1.104 58 I CB 0.954 38.756 38.000 -0.330 0.000 1.264 58 I HN 0.247 nan 8.210 nan 0.000 0.438 59 F N 6.106 125.941 119.950 -0.192 0.000 2.427 59 F HA 0.644 5.174 4.527 0.004 0.000 0.346 59 F C 0.422 176.064 175.800 -0.263 0.000 1.120 59 F CA -0.553 57.334 58.000 -0.189 0.000 1.033 59 F CB 1.297 40.240 39.000 -0.096 0.000 1.126 59 F HN 0.414 nan 8.300 nan 0.000 0.462 60 R N 2.082 122.488 120.500 -0.156 0.000 2.739 60 R HA 0.641 4.983 4.340 0.003 0.000 0.271 60 R C -3.414 172.731 176.300 -0.257 0.000 1.010 60 R CA -2.399 53.539 56.100 -0.270 0.000 0.897 60 R CB 1.236 31.289 30.300 -0.411 0.000 1.236 60 R HN 0.171 nan 8.270 nan 0.000 0.466 61 P HA -0.009 nan 4.420 nan 0.000 0.266 61 P C -0.734 176.465 177.300 -0.168 0.000 1.195 61 P CA -0.218 62.684 63.100 -0.330 0.000 0.768 61 P CB 0.425 31.757 31.700 -0.614 0.000 0.838 62 N N 3.523 122.175 118.700 -0.080 0.000 3.103 62 N HA 0.041 4.783 4.740 0.003 0.000 0.305 62 N C -0.621 174.913 175.510 0.041 0.000 1.232 62 N CA -0.031 53.024 53.050 0.008 0.000 1.190 62 N CB -0.794 37.742 38.487 0.081 0.000 1.461 62 N HN 0.341 nan 8.380 nan 0.000 0.538 63 K N -0.595 119.846 120.400 0.068 0.000 2.597 63 K HA 0.331 4.653 4.320 0.003 0.000 0.282 63 K C -1.531 175.182 176.600 0.189 0.000 0.975 63 K CA -0.966 55.389 56.287 0.114 0.000 0.867 63 K CB 0.588 33.155 32.500 0.112 0.000 1.465 63 K HN -0.183 nan 8.250 nan 0.000 0.417 64 D N 0.273 120.758 120.400 0.142 0.000 2.400 64 D HA 0.468 5.110 4.640 0.003 0.000 0.238 64 D C 0.619 177.000 176.300 0.134 0.000 1.157 64 D CA 1.667 55.743 54.000 0.127 0.000 0.889 64 D CB 1.072 41.905 40.800 0.055 0.000 1.199 64 D HN 0.889 nan 8.370 nan 0.000 0.436 65 G N 0.334 109.158 108.800 0.040 0.000 2.351 65 G HA2 0.077 4.039 3.960 0.003 0.000 0.353 65 G HA3 0.077 4.039 3.960 0.003 0.000 0.353 65 G C -1.376 173.284 174.900 -0.399 0.000 1.358 65 G CA -0.999 43.954 45.100 -0.245 0.000 0.995 65 G HN 0.373 nan 8.290 nan 0.000 0.611 66 K N -0.245 119.748 120.400 -0.679 0.000 2.292 66 K HA 0.713 5.035 4.320 0.003 0.000 0.257 66 K C -1.284 174.858 176.600 -0.763 0.000 0.940 66 K CA -0.453 55.541 56.287 -0.488 0.000 0.811 66 K CB 1.588 33.919 32.500 -0.282 0.000 1.120 66 K HN 0.298 nan 8.250 nan 0.000 0.428 67 F N 2.649 122.617 119.950 0.029 0.000 2.577 67 F HA 0.399 4.927 4.527 0.003 0.000 0.318 67 F C -2.071 173.717 175.800 -0.021 0.000 1.065 67 F CA -2.519 55.470 58.000 -0.018 0.000 0.929 67 F CB 1.470 40.480 39.000 0.016 0.000 1.237 67 F HN 0.366 nan 8.300 nan 0.000 0.468 68 P HA 0.140 nan 4.420 nan 0.000 0.272 68 P C -0.964 176.437 177.300 0.167 0.000 1.223 68 P CA -0.046 63.067 63.100 0.022 0.000 0.784 68 P CB 1.380 32.990 31.700 -0.150 0.000 0.923 69 V N 3.176 123.169 119.914 0.132 0.000 2.448 69 V HA 0.245 4.367 4.120 0.003 0.000 0.295 69 V C 0.791 176.890 176.094 0.008 0.000 1.025 69 V CA -0.616 61.776 62.300 0.153 0.000 0.859 69 V CB 1.765 33.720 31.823 0.219 0.000 0.988 69 V HN 0.313 nan 8.190 nan 0.000 0.431 73 A N 1.233 124.025 122.820 -0.046 0.000 2.488 73 A HA 0.931 5.253 4.320 0.003 0.000 0.298 73 A C -1.125 176.427 177.584 -0.053 0.000 1.044 73 A CA -0.131 51.764 52.037 -0.236 0.000 0.693 73 A CB 1.271 19.764 19.000 -0.844 0.000 1.272 73 A HN 1.514 nan 8.150 nan 0.000 0.402 74 D N -0.953 119.388 120.400 -0.098 0.000 2.713 74 D HA 0.507 5.149 4.640 0.003 0.000 0.306 74 D C 0.070 176.158 176.300 -0.353 0.000 1.299 74 D CA 0.255 54.078 54.000 -0.296 0.000 0.823 74 D CB 0.700 41.214 40.800 -0.477 0.000 1.353 74 D HN 0.428 nan 8.370 nan 0.000 0.447 75 T N -3.364 110.785 114.554 -0.675 0.000 3.215 75 T HA 0.161 4.513 4.350 0.003 0.000 0.271 75 T C 0.013 174.811 174.700 0.164 0.000 1.012 75 T CA -0.210 61.747 62.100 -0.240 0.000 0.899 75 T CB -0.479 68.280 68.868 -0.182 0.000 1.089 75 T HN 0.335 nan 8.240 nan 0.000 0.552 76 Y N 2.308 122.595 120.300 -0.021 0.000 2.523 76 Y HA 0.492 5.044 4.550 0.003 0.000 0.279 76 Y C 1.592 177.597 175.900 0.176 0.000 1.139 76 Y CA -0.736 57.399 58.100 0.058 0.000 1.296 76 Y CB -0.270 38.197 38.460 0.011 0.000 1.045 76 Y HN 0.574 nan 8.280 nan 0.000 0.538 77 G N 0.838 109.914 108.800 0.460 0.000 3.393 77 G HA2 -0.130 3.832 3.960 0.003 0.000 0.676 77 G HA3 -0.130 3.832 3.960 0.003 0.000 0.676 77 G C 0.504 175.550 174.900 0.244 0.000 1.224 77 G CA -0.317 45.031 45.100 0.414 0.000 1.109 77 G HN 0.325 nan 8.290 nan 0.000 0.519 78 K N 0.127 120.647 120.400 0.200 0.000 2.366 78 K HA 0.081 4.403 4.320 0.003 0.000 0.198 78 K C 0.505 177.212 176.600 0.178 0.000 1.044 78 K CA 1.325 57.714 56.287 0.169 0.000 0.973 78 K CB 0.437 33.019 32.500 0.137 0.000 0.767 78 K HN 0.289 nan 8.250 nan 0.000 0.475 79 D N 1.145 121.639 120.400 0.156 0.000 2.424 79 D HA 0.071 4.713 4.640 0.003 0.000 0.220 79 D C -0.654 175.695 176.300 0.083 0.000 1.150 79 D CA -0.178 53.899 54.000 0.128 0.000 0.831 79 D CB 0.133 40.995 40.800 0.104 0.000 0.981 79 D HN 0.147 nan 8.370 nan 0.000 0.500 80 N N 1.997 120.749 118.700 0.086 0.000 2.411 80 N HA -0.053 4.689 4.740 0.003 0.000 0.265 80 N C 0.292 175.805 175.510 0.004 0.000 1.266 80 N CA 0.380 53.451 53.050 0.035 0.000 0.889 80 N CB 0.739 39.252 38.487 0.042 0.000 1.069 80 N HN 0.085 nan 8.380 nan 0.000 0.476 81 K N 4.009 124.386 120.400 -0.038 0.000 2.383 81 K HA 0.152 4.473 4.320 0.003 0.000 0.286 81 K C -2.120 174.439 176.600 -0.068 0.000 1.051 81 K CA -1.365 54.876 56.287 -0.077 0.000 0.974 81 K CB 0.446 32.887 32.500 -0.098 0.000 0.968 81 K HN 0.336 nan 8.250 nan 0.000 0.475 82 P HA -0.025 nan 4.420 nan 0.000 0.266 82 P C -0.786 176.463 177.300 -0.085 0.000 1.195 82 P CA 0.202 63.253 63.100 -0.081 0.000 0.768 82 P CB 0.691 32.332 31.700 -0.099 0.000 0.838 89 A N 0.303 123.146 122.820 0.039 0.000 2.044 89 A HA 0.562 4.884 4.320 0.003 0.000 0.213 89 A C 2.141 179.756 177.584 0.053 0.000 1.169 89 A CA 0.963 53.022 52.037 0.036 0.000 0.724 89 A CB -0.218 18.793 19.000 0.018 0.000 0.840 89 A HN 0.307 nan 8.150 nan 0.000 0.463 90 L N -3.083 118.183 121.223 0.071 0.000 2.249 90 L HA 0.085 4.427 4.340 0.003 0.000 0.207 90 L C 0.828 177.788 176.870 0.150 0.000 1.090 90 L CA 0.302 55.187 54.840 0.074 0.000 0.802 90 L CB 0.183 42.276 42.059 0.058 0.000 0.947 90 L HN 0.578 nan 8.230 nan 0.000 0.453 91 W N 1.680 122.969 121.300 -0.018 0.000 1.949 91 W HA 0.346 5.009 4.660 0.005 0.000 0.299 91 W C -2.302 174.218 176.519 0.001 0.000 0.959 91 W CA -2.591 54.746 57.345 -0.013 0.000 1.665 91 W CB 0.541 29.986 29.460 -0.025 0.000 1.829 91 W HN -0.133 nan 8.180 nan 0.000 0.375 92 P HA -0.090 nan 4.420 nan 0.000 0.223 92 P C 1.317 178.670 177.300 0.090 0.000 1.151 92 P CA 1.694 64.869 63.100 0.125 0.000 0.787 92 P CB -0.047 31.712 31.700 0.098 0.000 0.788 93 T N -3.906 110.731 114.554 0.139 0.000 3.144 93 T HA 0.177 4.528 4.350 0.003 0.000 0.249 93 T C 1.684 176.405 174.700 0.036 0.000 1.089 93 T CA -0.127 62.051 62.100 0.129 0.000 0.989 93 T CB -0.929 68.089 68.868 0.250 0.000 0.992 93 T HN -0.015 nan 8.240 nan 0.000 0.540 94 L N 1.044 122.116 121.223 -0.252 0.000 2.265 94 L HA 0.203 4.545 4.340 0.003 0.000 0.215 94 L C 1.811 178.678 176.870 -0.006 0.000 1.117 94 L CA 0.952 55.549 54.840 -0.405 0.000 0.782 94 L CB -1.079 40.612 42.059 -0.613 0.000 0.914 94 L HN 0.759 nan 8.230 nan 0.000 0.441 95 G N -0.687 108.139 108.800 0.043 0.000 2.660 95 G HA2 -0.226 3.736 3.960 0.003 0.000 0.215 95 G HA3 -0.226 3.736 3.960 0.003 0.000 0.215 95 G C -0.273 174.666 174.900 0.064 0.000 1.345 95 G CA -0.412 44.747 45.100 0.097 0.000 0.877 95 G HN 0.003 nan 8.290 nan 0.000 0.549 96 T N 0.887 115.492 114.554 0.085 0.000 2.743 96 T HA 0.607 4.959 4.350 0.003 0.000 0.292 96 T C 0.375 175.118 174.700 0.072 0.000 0.972 96 T CA 0.060 62.191 62.100 0.052 0.000 0.967 96 T CB 0.568 69.460 68.868 0.039 0.000 0.926 96 T HN 0.597 nan 8.240 nan 0.000 0.459 97 I N 6.376 126.964 120.570 0.030 0.000 2.595 97 I HA 0.261 4.433 4.170 0.003 0.000 0.275 97 I C -2.132 173.919 176.117 -0.110 0.000 1.092 97 I CA -1.909 59.408 61.300 0.028 0.000 1.145 97 I CB 1.408 39.434 38.000 0.043 0.000 1.276 97 I HN 0.360 nan 8.210 nan 0.000 0.497 98 P HA 0.352 nan 4.420 nan 0.000 0.293 98 P C -0.508 176.613 177.300 -0.298 0.000 1.313 98 P CA -0.037 62.962 63.100 -0.169 0.000 0.787 98 P CB 1.467 33.097 31.700 -0.117 0.000 0.910 99 T N -1.006 113.375 114.554 -0.287 0.000 2.864 99 T HA 0.524 4.876 4.350 0.003 0.000 0.299 99 T C 0.091 174.705 174.700 -0.143 0.000 1.166 99 T CA -0.674 61.245 62.100 -0.302 0.000 1.007 99 T CB 0.995 69.579 68.868 -0.473 0.000 1.219 99 T HN 0.368 nan 8.240 nan 0.000 0.506 100 S N 0.944 116.604 115.700 -0.068 0.000 2.596 100 S HA 0.237 4.708 4.470 0.003 0.000 0.260 100 S C 1.533 176.141 174.600 0.012 0.000 1.336 100 S CA 0.018 58.231 58.200 0.021 0.000 0.993 100 S CB 0.375 63.640 63.200 0.109 0.000 0.923 100 S HN 1.513 nan 8.310 nan 0.000 0.567 101 S N -0.380 115.342 115.700 0.037 0.000 2.603 101 S HA 0.077 4.549 4.470 0.003 0.000 0.229 101 S C 0.307 174.762 174.600 -0.242 0.000 0.972 101 S CA 0.088 58.220 58.200 -0.113 0.000 0.935 101 S CB -0.855 62.251 63.200 -0.158 0.000 0.769 101 S HN 0.663 nan 8.310 nan 0.000 0.536 102 F N 2.087 122.035 119.950 -0.003 0.000 2.750 102 F HA 0.344 4.873 4.527 0.003 0.000 0.297 102 F C 0.291 176.056 175.800 -0.059 0.000 1.138 102 F CA -0.420 57.584 58.000 0.006 0.000 1.346 102 F CB 0.486 39.471 39.000 -0.026 0.000 0.965 102 F HN 0.046 nan 8.300 nan 0.000 0.514 103 T N 1.447 116.044 114.554 0.072 0.000 2.991 103 T HA 0.283 4.635 4.350 0.003 0.000 0.347 103 T C -2.622 172.126 174.700 0.080 0.000 1.122 103 T CA -1.737 60.411 62.100 0.079 0.000 1.062 103 T CB 1.092 69.986 68.868 0.043 0.000 1.043 103 T HN -0.236 nan 8.240 nan 0.000 0.491 104 P HA 0.154 nan 4.420 nan 0.000 0.267 104 P C -0.020 177.378 177.300 0.163 0.000 1.200 104 P CA -0.330 62.846 63.100 0.127 0.000 0.772 104 P CB 0.439 32.240 31.700 0.168 0.000 0.855 105 E N 1.977 122.245 120.200 0.113 0.000 2.558 105 E HA 0.238 4.590 4.350 0.003 0.000 0.255 105 E C 1.415 178.184 176.600 0.280 0.000 0.968 105 E CA 1.980 58.434 56.400 0.090 0.000 0.939 105 E CB -0.589 29.056 29.700 -0.093 0.000 0.921 105 E HN 0.544 nan 8.360 nan 0.000 0.477 106 E N 0.453 120.923 120.200 0.449 0.000 4.223 106 E HA -0.223 4.129 4.350 0.003 0.000 0.379 106 E C 0.337 177.106 176.600 0.281 0.000 0.610 106 E CA 1.036 57.726 56.400 0.483 0.000 1.397 106 E CB -2.067 nan 29.700 nan 0.000 1.803 106 E HN 0.387 nan 8.360 nan 0.000 0.385 107 S N 1.849 117.790 115.700 0.402 0.000 2.632 107 S HA 0.634 5.106 4.470 0.003 0.000 0.271 107 S C -2.344 172.556 174.600 0.499 0.000 1.260 107 S CA -0.651 57.760 58.200 0.350 0.000 1.010 107 S CB 1.475 64.847 63.200 0.287 0.000 0.965 107 S HN 0.426 nan 8.310 nan 0.000 0.534 108 P HA 0.092 nan 4.420 nan 0.000 0.267 108 P C -0.802 176.764 177.300 0.443 0.000 1.205 108 P CA -0.104 63.287 63.100 0.485 0.000 0.765 108 P CB 0.251 32.082 31.700 0.219 0.000 0.828 109 D N 5.082 125.797 120.400 0.524 0.000 2.316 109 D HA 0.098 4.740 4.640 0.003 0.000 0.245 109 D C -1.386 175.076 176.300 0.269 0.000 1.171 109 D CA -2.383 51.797 54.000 0.300 0.000 0.856 109 D CB 0.776 41.713 40.800 0.229 0.000 1.090 109 D HN 0.154 nan 8.370 nan 0.000 0.476 110 P HA -0.048 nan 4.420 nan 0.000 0.222 110 P C 1.244 178.557 177.300 0.021 0.000 1.147 110 P CA 0.608 63.667 63.100 -0.068 0.000 0.790 110 P CB 0.186 31.503 31.700 -0.638 0.000 0.780 111 G N -1.377 107.445 108.800 0.036 0.000 2.509 111 G HA2 -0.218 3.744 3.960 0.003 0.000 0.218 111 G HA3 -0.218 3.744 3.960 0.003 0.000 0.218 111 G C 1.153 176.161 174.900 0.181 0.000 1.124 111 G CA 0.053 45.204 45.100 0.084 0.000 0.776 111 G HN 0.237 nan 8.290 nan 0.000 0.547 112 F N -0.753 119.205 119.950 0.013 0.000 2.343 112 F HA 0.291 4.820 4.527 0.004 0.000 0.286 112 F C 2.045 177.802 175.800 -0.071 0.000 1.057 112 F CA 0.173 58.125 58.000 -0.081 0.000 1.365 112 F CB -0.019 38.749 39.000 -0.387 0.000 1.114 112 F HN 0.131 nan 8.300 nan 0.000 0.545 113 W N 0.040 121.310 121.300 -0.051 0.000 2.443 113 W HA 0.013 4.674 4.660 0.002 0.000 0.296 113 W C 2.334 178.830 176.519 -0.038 0.000 1.202 113 W CA 1.435 58.683 57.345 -0.161 0.000 1.312 113 W CB -0.802 28.632 29.460 -0.043 0.000 1.120 113 W HN -0.262 nan 8.180 nan 0.000 0.536 114 V N 1.157 121.184 119.914 0.188 0.000 2.407 114 V HA -0.212 3.910 4.120 0.003 0.000 0.248 114 V C -0.717 175.374 176.094 -0.006 0.000 1.055 114 V CA 1.687 64.034 62.300 0.079 0.000 1.049 114 V CB -1.995 29.846 31.823 0.031 0.000 0.662 114 V HN -0.010 nan 8.190 nan 0.000 0.455 115 P HA -0.069 nan 4.420 nan 0.000 0.226 115 P C 0.794 177.999 177.300 -0.158 0.000 1.153 115 P CA 1.160 64.188 63.100 -0.121 0.000 0.777 115 P CB -0.247 31.292 31.700 -0.268 0.000 0.794 116 N N -0.164 118.447 118.700 -0.148 0.000 2.362 116 N HA -0.001 4.741 4.740 0.003 0.000 0.204 116 N C -0.569 175.015 175.510 0.124 0.000 1.166 116 N CA -0.000 53.022 53.050 -0.046 0.000 0.831 116 N CB -0.440 37.987 38.487 -0.100 0.000 1.008 116 N HN -0.037 nan 8.380 nan 0.000 0.472 117 D N -0.184 120.250 120.400 0.056 0.000 2.716 117 D HA -0.230 4.411 4.640 0.003 0.000 0.239 117 D C -0.951 175.337 176.300 -0.019 0.000 1.125 117 D CA 1.038 55.033 54.000 -0.009 0.000 0.681 117 D CB -1.331 39.534 40.800 0.109 0.000 1.070 117 D HN 0.407 nan 8.370 nan 0.000 0.432 118 Y N -1.186 119.141 120.300 0.045 0.000 2.549 118 Y HA 0.509 5.061 4.550 0.003 0.000 0.339 118 Y C 0.820 176.708 175.900 -0.020 0.000 1.053 118 Y CA -1.025 57.140 58.100 0.108 0.000 1.105 118 Y CB 1.532 40.127 38.460 0.224 0.000 1.258 118 Y HN -0.196 nan 8.280 nan 0.000 0.478 119 V N 3.029 123.054 119.914 0.185 0.000 2.539 119 V HA 0.376 4.498 4.120 0.003 0.000 0.292 119 V C -0.579 175.573 176.094 0.097 0.000 1.045 119 V CA -0.750 61.575 62.300 0.041 0.000 0.945 119 V CB 1.472 33.284 31.823 -0.018 0.000 0.993 119 V HN 0.465 nan 8.190 nan 0.000 0.464 120 V N 5.277 125.242 119.914 0.085 0.000 2.417 120 V HA 0.471 4.592 4.120 0.003 0.000 0.291 120 V C -0.287 175.906 176.094 0.164 0.000 1.024 120 V CA -0.519 61.856 62.300 0.126 0.000 0.861 120 V CB 1.844 33.751 31.823 0.140 0.000 0.985 120 V HN 0.591 nan 8.190 nan 0.000 0.436 121 V N 4.569 124.576 119.914 0.156 0.000 2.417 121 V HA 0.543 4.665 4.120 0.003 0.000 0.291 121 V C -0.211 176.005 176.094 0.204 0.000 1.024 121 V CA -0.892 61.517 62.300 0.181 0.000 0.861 121 V CB 1.879 33.841 31.823 0.232 0.000 0.985 121 V HN 0.828 nan 8.190 nan 0.000 0.436 122 K N 4.040 124.569 120.400 0.215 0.000 2.307 122 K HA 0.649 4.971 4.320 0.003 0.000 0.263 122 K C -1.275 175.400 176.600 0.124 0.000 0.973 122 K CA -0.314 56.089 56.287 0.194 0.000 0.846 122 K CB 1.614 34.278 32.500 0.273 0.000 1.100 122 K HN 0.439 nan 8.250 nan 0.000 0.438 123 V N 3.620 123.573 119.914 0.065 0.000 2.398 123 V HA 0.612 4.734 4.120 0.003 0.000 0.286 123 V C -0.214 175.864 176.094 -0.027 0.000 1.026 123 V CA -1.064 61.234 62.300 -0.004 0.000 0.868 123 V CB 1.353 33.127 31.823 -0.082 0.000 0.982 123 V HN 0.906 nan 8.190 nan 0.000 0.443 124 A N 6.445 129.254 122.820 -0.019 0.000 2.310 124 A HA 0.676 4.998 4.320 0.003 0.000 0.300 124 A C -0.146 177.381 177.584 -0.094 0.000 1.269 124 A CA -0.309 51.697 52.037 -0.052 0.000 0.909 124 A CB -0.089 18.888 19.000 -0.037 0.000 1.144 124 A HN 0.828 nan 8.150 nan 0.000 0.540 125 L N 1.664 122.816 121.223 -0.118 0.000 2.476 125 L HA 0.288 4.629 4.340 0.003 0.000 0.255 125 L C 1.414 178.206 176.870 -0.128 0.000 1.218 125 L CA -0.554 54.225 54.840 -0.101 0.000 0.819 125 L CB 0.332 42.360 42.059 -0.051 0.000 1.119 125 L HN 0.808 nan 8.230 nan 0.000 0.485 126 R N 0.322 120.765 120.500 -0.095 0.000 2.583 126 R HA 0.060 4.402 4.340 0.003 0.000 0.274 126 R C 0.909 177.106 176.300 -0.173 0.000 0.998 126 R CA 1.134 57.167 56.100 -0.113 0.000 1.081 126 R CB -0.029 30.226 30.300 -0.074 0.000 0.940 126 R HN 0.860 nan 8.270 nan 0.000 0.413 127 G N 2.000 110.665 108.800 -0.224 0.000 2.225 127 G HA2 -0.317 3.645 3.960 0.003 0.000 0.254 127 G HA3 -0.317 3.645 3.960 0.003 0.000 0.254 127 G C -0.164 174.365 174.900 -0.618 0.000 0.988 127 G CA 0.377 45.291 45.100 -0.311 0.000 0.625 127 G HN 0.886 nan 8.290 nan 0.000 0.527 128 S N -0.328 114.936 115.700 -0.726 0.000 2.607 128 S HA 0.720 5.192 4.470 0.003 0.000 0.303 128 S C 0.048 174.002 174.600 -1.077 0.000 1.086 128 S CA 0.835 58.215 58.200 -1.367 0.000 0.995 128 S CB 3.153 65.895 63.200 -0.764 0.000 1.084 128 S HN 1.399 nan 8.310 nan 0.000 0.507 129 D N 1.011 120.460 120.400 -1.584 0.000 3.639 129 D HA -0.237 4.405 4.640 0.003 0.000 0.162 129 D C 0.410 176.360 176.300 -0.583 0.000 1.054 129 D CA 1.797 55.362 54.000 -0.724 0.000 1.085 129 D CB -0.886 39.723 40.800 -0.318 0.000 0.547 129 D HN 0.739 nan 8.370 nan 0.000 0.595 130 K N -0.482 119.549 120.400 -0.615 0.000 2.487 130 K HA 0.142 4.464 4.320 0.003 0.000 0.192 130 K C 0.191 176.581 176.600 -0.350 0.000 1.027 130 K CA 0.517 56.412 56.287 -0.653 0.000 1.054 130 K CB 0.137 31.909 32.500 -1.212 0.000 0.824 130 K HN 0.173 nan 8.250 nan 0.000 0.510 131 S N 1.455 117.029 115.700 -0.210 0.000 2.481 131 S HA 0.092 4.564 4.470 0.003 0.000 0.276 131 S C 0.416 174.895 174.600 -0.202 0.000 1.247 131 S CA -0.429 57.714 58.200 -0.095 0.000 1.053 131 S CB 0.416 63.572 63.200 -0.073 0.000 0.925 131 S HN 0.012 nan 8.310 nan 0.000 0.491 132 K N 4.052 124.376 120.400 -0.127 0.000 2.593 132 K HA 0.251 4.573 4.320 0.003 0.000 0.208 132 K C 0.907 177.450 176.600 -0.096 0.000 1.051 132 K CA -0.129 56.085 56.287 -0.121 0.000 1.111 132 K CB 0.280 32.733 32.500 -0.077 0.000 0.849 132 K HN 0.685 nan 8.250 nan 0.000 0.479 133 G N 0.271 109.011 108.800 -0.100 0.000 2.588 133 G HA2 0.211 4.173 3.960 0.003 0.000 0.278 133 G HA3 0.211 4.173 3.960 0.003 0.000 0.278 133 G C -0.215 174.629 174.900 -0.094 0.000 1.307 133 G CA -0.573 44.479 45.100 -0.080 0.000 1.016 133 G HN -0.005 nan 8.290 nan 0.000 0.503 134 V N 0.217 120.088 119.914 -0.072 0.000 2.557 134 V HA 0.046 4.168 4.120 0.003 0.000 0.301 134 V C 0.523 176.561 176.094 -0.092 0.000 1.026 134 V CA 0.390 62.647 62.300 -0.072 0.000 1.137 134 V CB 0.745 32.540 31.823 -0.047 0.000 0.917 134 V HN 0.472 nan 8.190 nan 0.000 0.484 135 L N 5.514 126.668 121.223 -0.115 0.000 2.313 135 L HA 0.466 4.808 4.340 0.003 0.000 0.273 135 L C 0.197 177.006 176.870 -0.102 0.000 1.028 135 L CA 0.136 54.899 54.840 -0.127 0.000 0.871 135 L CB 1.252 43.199 42.059 -0.186 0.000 1.242 135 L HN 0.680 nan 8.230 nan 0.000 0.434 136 S N 6.318 121.982 115.700 -0.059 0.000 2.516 136 S HA 0.510 4.982 4.470 0.003 0.000 0.268 136 S C -2.493 172.097 174.600 -0.017 0.000 1.251 136 S CA -1.454 56.726 58.200 -0.034 0.000 1.153 136 S CB 0.663 63.841 63.200 -0.037 0.000 1.009 136 S HN 0.349 nan 8.310 nan 0.000 0.479 137 P HA 0.112 nan 4.420 nan 0.000 0.268 137 P C -0.549 176.786 177.300 0.059 0.000 1.204 137 P CA 0.461 63.531 63.100 -0.051 0.000 0.768 137 P CB 0.028 31.605 31.700 -0.206 0.000 0.842 138 W N 0.226 121.494 121.300 -0.054 0.000 5.324 138 W HA -0.149 4.514 4.660 0.005 0.000 0.404 138 W C -0.035 176.243 176.519 -0.402 0.000 1.566 138 W CA 0.715 58.005 57.345 -0.093 0.000 0.927 138 W CB -2.873 26.707 29.460 0.199 0.000 2.757 138 W HN 0.433 nan 8.180 nan 0.000 1.382 139 S N -2.102 113.257 115.700 -0.567 0.000 2.671 139 S HA 0.660 5.132 4.470 0.003 0.000 0.299 139 S C 0.894 174.762 174.600 -1.219 0.000 1.116 139 S CA -0.495 57.217 58.200 -0.813 0.000 0.912 139 S CB 2.990 65.991 63.200 -0.332 0.000 1.130 139 S HN 0.125 nan 8.310 nan 0.000 0.501 140 K N 0.843 120.657 120.400 -0.977 0.000 2.057 140 K HA -0.103 4.219 4.320 0.003 0.000 0.206 140 K C 2.368 178.850 176.600 -0.195 0.000 1.050 140 K CA 1.356 57.354 56.287 -0.482 0.000 0.935 140 K CB -0.302 32.142 32.500 -0.093 0.000 0.715 140 K HN 0.742 nan 8.250 nan 0.000 0.439 141 R N 0.436 120.833 120.500 -0.171 0.000 2.127 141 R HA -0.177 4.165 4.340 0.003 0.000 0.238 141 R C 2.038 178.307 176.300 -0.051 0.000 1.134 141 R CA 1.901 57.951 56.100 -0.084 0.000 0.975 141 R CB -0.442 29.814 30.300 -0.073 0.000 0.865 141 R HN 0.330 nan 8.270 nan 0.000 0.447 142 E N 1.004 121.154 120.200 -0.084 0.000 2.072 142 E HA -0.134 4.217 4.350 0.003 0.000 0.190 142 E C 2.110 178.779 176.600 0.116 0.000 0.982 142 E CA 0.979 57.384 56.400 0.008 0.000 0.803 142 E CB -0.131 29.576 29.700 0.012 0.000 0.755 142 E HN 0.461 nan 8.360 nan 0.000 0.453 143 A N 1.331 124.208 122.820 0.095 0.000 1.917 143 A HA -0.280 4.042 4.320 0.003 0.000 0.219 143 A C 1.933 179.674 177.584 0.261 0.000 1.182 143 A CA 1.943 54.143 52.037 0.271 0.000 0.633 143 A CB -0.646 18.555 19.000 0.336 0.000 0.819 143 A HN 0.382 nan 8.150 nan 0.000 0.448 144 E N -0.424 119.860 120.200 0.140 0.000 2.110 144 E HA -0.188 4.163 4.350 0.003 0.000 0.193 144 E C 1.483 178.170 176.600 0.145 0.000 0.988 144 E CA 1.130 57.582 56.400 0.086 0.000 0.804 144 E CB -0.199 29.499 29.700 -0.004 0.000 0.745 144 E HN 0.565 nan 8.360 nan 0.000 0.458 145 D N 0.094 120.579 120.400 0.141 0.000 2.097 145 D HA -0.169 4.473 4.640 0.003 0.000 0.197 145 D C 1.662 178.111 176.300 0.247 0.000 0.984 145 D CA 0.911 54.994 54.000 0.138 0.000 0.826 145 D CB -0.474 40.371 40.800 0.075 0.000 0.973 145 D HN 0.285 nan 8.370 nan 0.000 0.460 146 Y N -0.200 120.191 120.300 0.153 0.000 2.165 146 Y HA -0.385 4.166 4.550 0.003 0.000 0.286 146 Y C 2.506 178.548 175.900 0.237 0.000 1.155 146 Y CA 0.989 59.200 58.100 0.185 0.000 1.164 146 Y CB -0.071 38.513 38.460 0.206 0.000 0.978 146 Y HN -0.038 nan 8.280 nan 0.000 0.513 147 Y N 1.657 122.104 120.300 0.244 0.000 2.128 147 Y HA -0.304 4.248 4.550 0.003 0.000 0.284 147 Y C 2.217 178.218 175.900 0.167 0.000 1.154 147 Y CA 2.156 60.345 58.100 0.149 0.000 1.149 147 Y CB -0.592 37.941 38.460 0.121 0.000 0.976 147 Y HN 0.220 nan 8.280 nan 0.000 0.505 148 E N -0.814 119.667 120.200 0.469 0.000 2.118 148 E HA -0.193 4.159 4.350 0.003 0.000 0.195 148 E C 2.229 178.998 176.600 0.281 0.000 0.992 148 E CA 1.709 58.312 56.400 0.338 0.000 0.804 148 E CB -0.267 29.555 29.700 0.204 0.000 0.741 148 E HN 0.391 nan 8.360 nan 0.000 0.458 149 V N 1.411 121.487 119.914 0.271 0.000 2.453 149 V HA -0.220 3.902 4.120 0.003 0.000 0.247 149 V C 2.250 178.563 176.094 0.365 0.000 1.048 149 V CA 1.242 63.708 62.300 0.276 0.000 1.049 149 V CB -0.392 31.553 31.823 0.203 0.000 0.672 149 V HN 0.228 nan 8.190 nan 0.000 0.457 150 I N -0.060 120.686 120.570 0.293 0.000 2.163 150 I HA -0.209 3.963 4.170 0.003 0.000 0.243 150 I C 2.672 178.860 176.117 0.119 0.000 1.085 150 I CA 1.469 62.877 61.300 0.181 0.000 1.347 150 I CB -0.386 37.632 38.000 0.031 0.000 1.044 150 I HN 0.294 nan 8.210 nan 0.000 0.408 151 E N -0.249 120.008 120.200 0.094 0.000 2.150 151 E HA -0.249 4.103 4.350 0.003 0.000 0.193 151 E C 1.719 178.345 176.600 0.044 0.000 0.985 151 E CA 1.077 57.502 56.400 0.041 0.000 0.814 151 E CB -0.401 29.351 29.700 0.086 0.000 0.752 151 E HN 0.634 nan 8.360 nan 0.000 0.466 152 W N 1.903 123.190 121.300 -0.021 0.000 2.355 152 W HA -0.152 4.510 4.660 0.003 0.000 0.309 152 W C 2.366 178.828 176.519 -0.095 0.000 1.206 152 W CA 2.379 59.698 57.345 -0.044 0.000 1.284 152 W CB -0.313 29.152 29.460 0.009 0.000 1.145 152 W HN 0.043 nan 8.180 nan 0.000 0.502 153 A N 0.823 123.710 122.820 0.113 0.000 1.940 153 A HA -0.095 4.227 4.320 0.003 0.000 0.219 153 A C 2.066 179.432 177.584 -0.365 0.000 1.176 153 A CA 2.374 54.348 52.037 -0.105 0.000 0.631 153 A CB -1.531 17.661 19.000 0.321 0.000 0.814 153 A HN 0.479 nan 8.150 nan 0.000 0.446 154 A N -0.357 122.284 122.820 -0.298 0.000 2.121 154 A HA -0.125 4.196 4.320 0.003 0.000 0.218 154 A C 1.584 178.861 177.584 -0.510 0.000 1.154 154 A CA 1.515 53.306 52.037 -0.411 0.000 0.679 154 A CB -0.612 17.993 19.000 -0.658 0.000 0.795 154 A HN 0.699 nan 8.150 nan 0.000 0.458 155 N N -0.634 117.726 118.700 -0.567 0.000 2.230 155 N HA 0.060 4.802 4.740 0.003 0.000 0.202 155 N C -0.163 174.943 175.510 -0.675 0.000 1.119 155 N CA -0.212 52.517 53.050 -0.536 0.000 0.851 155 N CB 0.281 38.512 38.487 -0.427 0.000 0.990 155 N HN 0.334 nan 8.380 nan 0.000 0.497 156 Q N 0.120 119.341 119.800 -0.965 0.000 2.260 156 Q HA 0.132 4.473 4.340 0.003 0.000 0.238 156 Q C 1.245 176.664 176.000 -0.969 0.000 0.948 156 Q CA -0.052 55.025 55.803 -1.211 0.000 0.895 156 Q CB 1.213 28.666 28.738 -2.141 0.000 1.218 156 Q HN 0.210 nan 8.270 nan 0.000 0.470 157 S N 0.445 115.668 115.700 -0.796 0.000 2.400 157 S HA -0.112 4.360 4.470 0.003 0.000 0.232 157 S C 1.153 175.584 174.600 -0.282 0.000 1.025 157 S CA 1.179 59.129 58.200 -0.417 0.000 0.993 157 S CB -0.324 62.741 63.200 -0.225 0.000 0.808 157 S HN 0.801 nan 8.310 nan 0.000 0.478 158 W N 1.644 122.915 121.300 -0.047 0.000 3.345 158 W HA 0.546 5.207 4.660 0.003 0.000 0.282 158 W C 0.398 176.947 176.519 0.050 0.000 1.302 158 W CA -0.288 57.092 57.345 0.058 0.000 1.724 158 W CB -0.824 28.715 29.460 0.132 0.000 1.104 158 W HN 0.327 nan 8.180 nan 0.000 0.694 159 S N 2.772 118.429 115.700 -0.071 0.000 2.451 159 S HA 0.137 4.608 4.470 0.003 0.000 0.301 159 S C 1.025 175.564 174.600 -0.102 0.000 1.116 159 S CA -0.528 57.663 58.200 -0.015 0.000 1.093 159 S CB 0.800 63.843 63.200 -0.261 0.000 1.017 159 S HN 0.208 nan 8.310 nan 0.000 0.482 160 N N 3.763 122.432 118.700 -0.052 0.000 2.461 160 N HA 0.150 4.892 4.740 0.003 0.000 0.188 160 N C 1.201 176.663 175.510 -0.080 0.000 1.134 160 N CA 0.983 53.974 53.050 -0.098 0.000 0.878 160 N CB -0.232 38.190 38.487 -0.108 0.000 0.972 160 N HN 1.073 nan 8.380 nan 0.000 0.456 161 G N -0.451 108.299 108.800 -0.082 0.000 2.217 161 G HA2 -0.257 3.705 3.960 0.003 0.000 0.246 161 G HA3 -0.257 3.705 3.960 0.003 0.000 0.246 161 G C -0.507 174.418 174.900 0.041 0.000 0.990 161 G CA -0.053 45.017 45.100 -0.051 0.000 0.627 161 G HN 0.480 nan 8.290 nan 0.000 0.522 162 N N 1.138 119.842 118.700 0.006 0.000 2.469 162 N HA 0.578 5.320 4.740 0.003 0.000 0.253 162 N C -0.322 175.172 175.510 -0.026 0.000 0.970 162 N CA -0.256 52.793 53.050 -0.003 0.000 0.940 162 N CB 1.219 39.685 38.487 -0.036 0.000 1.128 162 N HN 0.170 nan 8.380 nan 0.000 0.503 163 I N 0.792 121.349 120.570 -0.021 0.000 2.377 163 I HA 0.510 4.681 4.170 0.003 0.000 0.293 163 I C 0.989 177.022 176.117 -0.141 0.000 0.987 163 I CA -1.079 60.194 61.300 -0.045 0.000 1.185 163 I CB 0.980 38.995 38.000 0.026 0.000 1.341 163 I HN 0.356 nan 8.210 nan 0.000 0.455 164 G N 3.800 112.426 108.800 -0.291 0.000 2.530 164 G HA2 0.630 4.592 3.960 0.003 0.000 0.316 164 G HA3 0.630 4.592 3.960 0.003 0.000 0.316 164 G C -0.386 174.454 174.900 -0.100 0.000 1.298 164 G CA -0.408 44.450 45.100 -0.404 0.000 0.948 164 G HN 0.643 nan 8.290 nan 0.000 0.486 165 T N -0.182 114.455 114.554 0.138 0.000 2.928 165 T HA 0.692 5.044 4.350 0.003 0.000 0.284 165 T C -0.310 174.589 174.700 0.332 0.000 1.008 165 T CA -0.968 61.265 62.100 0.221 0.000 1.057 165 T CB 2.096 71.055 68.868 0.152 0.000 1.018 165 T HN 0.523 nan 8.240 nan 0.000 0.493 166 N N -0.343 118.514 118.700 0.261 0.000 2.555 166 N HA 0.611 5.353 4.740 0.003 0.000 0.265 166 N C -0.710 174.912 175.510 0.187 0.000 1.135 166 N CA 0.386 53.572 53.050 0.227 0.000 0.925 166 N CB 1.887 40.501 38.487 0.212 0.000 1.662 166 N HN 1.382 nan 8.380 nan 0.000 0.489 167 G N -0.071 108.795 108.800 0.111 0.000 2.352 167 G HA2 0.286 4.247 3.960 0.003 0.000 0.302 167 G HA3 0.286 4.247 3.960 0.003 0.000 0.302 167 G C -2.063 172.733 174.900 -0.173 0.000 1.370 167 G CA -0.439 44.626 45.100 -0.059 0.000 0.918 167 G HN 0.455 nan 8.290 nan 0.000 0.610 168 V N 0.469 120.252 119.914 -0.219 0.000 2.667 168 V HA 0.803 4.925 4.120 0.003 0.000 0.308 168 V C 1.285 177.429 176.094 0.083 0.000 1.048 168 V CA 0.997 63.204 62.300 -0.155 0.000 0.928 168 V CB 0.879 32.526 31.823 -0.293 0.000 1.004 168 V HN 2.511 nan 8.190 nan 0.000 0.444 169 S N 2.688 118.342 115.700 -0.077 0.000 4.140 169 S HA -0.383 4.089 4.470 0.003 0.000 0.618 169 S C 1.215 175.968 174.600 0.254 0.000 1.896 169 S CA 1.894 60.077 58.200 -0.028 0.000 4.240 169 S CB -1.645 61.881 63.200 0.544 0.000 0.208 169 S HN 1.077 nan 8.310 nan 0.000 0.487 170 Y N 1.844 122.471 120.300 0.545 0.000 2.193 170 Y HA -0.138 4.414 4.550 0.003 0.000 0.285 170 Y C 2.111 178.225 175.900 0.356 0.000 1.166 170 Y CA 2.323 60.817 58.100 0.656 0.000 1.181 170 Y CB -0.320 38.418 38.460 0.464 0.000 0.976 170 Y HN 0.438 nan 8.280 nan 0.000 0.520 171 L N -0.323 121.188 121.223 0.481 0.000 2.362 171 L HA -0.138 4.204 4.340 0.003 0.000 0.219 171 L C 2.424 179.413 176.870 0.199 0.000 1.134 171 L CA 1.545 56.578 54.840 0.321 0.000 0.807 171 L CB -1.114 41.087 42.059 0.237 0.000 0.927 171 L HN 0.295 nan 8.230 nan 0.000 0.447 172 A N -0.996 121.873 122.820 0.083 0.000 1.911 172 A HA 0.012 4.334 4.320 0.003 0.000 0.212 172 A C 2.286 179.804 177.584 -0.111 0.000 1.189 172 A CA 0.948 52.931 52.037 -0.091 0.000 0.639 172 A CB -0.637 18.258 19.000 -0.176 0.000 0.839 172 A HN 0.115 nan 8.150 nan 0.000 0.449 173 V N 1.281 121.164 119.914 -0.052 0.000 2.332 173 V HA -0.259 3.863 4.120 0.003 0.000 0.248 173 V C 2.950 179.153 176.094 0.180 0.000 1.055 173 V CA 2.488 64.750 62.300 -0.063 0.000 1.038 173 V CB -1.662 29.665 31.823 -0.826 0.000 0.651 173 V HN 0.806 nan 8.190 nan 0.000 0.450 174 T N -1.775 112.947 114.554 0.280 0.000 2.929 174 T HA -0.247 4.105 4.350 0.003 0.000 0.271 174 T C 1.719 176.708 174.700 0.482 0.000 1.085 174 T CA 1.504 63.914 62.100 0.516 0.000 1.125 174 T CB -0.314 68.919 68.868 0.609 0.000 0.874 174 T HN 0.587 nan 8.240 nan 0.000 0.494 175 Q N -0.047 119.904 119.800 0.252 0.000 2.083 175 Q HA 0.004 4.346 4.340 0.003 0.000 0.198 175 Q C 2.085 178.105 176.000 0.034 0.000 0.969 175 Q CA 1.323 57.150 55.803 0.040 0.000 0.838 175 Q CB -0.303 28.358 28.738 -0.129 0.000 0.900 175 Q HN 0.702 nan 8.270 nan 0.000 0.436 176 W N -0.185 121.153 121.300 0.063 0.000 2.335 176 W HA -0.222 4.438 4.660 0.000 0.000 0.311 176 W C 1.811 178.310 176.519 -0.032 0.000 1.213 176 W CA 0.179 57.502 57.345 -0.036 0.000 1.274 176 W CB -0.534 28.840 29.460 -0.143 0.000 1.148 176 W HN 0.223 nan 8.180 nan 0.000 0.498 177 W N -0.522 120.954 121.300 0.293 0.000 2.311 177 W HA -0.269 4.393 4.660 0.004 0.000 0.326 177 W C 2.580 179.205 176.519 0.176 0.000 1.239 177 W CA 1.669 59.149 57.345 0.224 0.000 1.258 177 W CB -1.272 28.332 29.460 0.239 0.000 1.165 177 W HN -0.344 nan 8.180 nan 0.000 0.466 178 V N 0.636 120.777 119.914 0.378 0.000 2.515 178 V HA -0.235 3.887 4.120 0.003 0.000 0.250 178 V C 2.080 178.261 176.094 0.145 0.000 1.058 178 V CA 2.173 64.593 62.300 0.200 0.000 1.064 178 V CB -0.936 30.797 31.823 -0.151 0.000 0.675 178 V HN 0.198 nan 8.190 nan 0.000 0.461 179 A N 0.084 122.965 122.820 0.103 0.000 2.019 179 A HA -0.170 4.152 4.320 0.003 0.000 0.219 179 A C 2.488 180.147 177.584 0.125 0.000 1.164 179 A CA 2.015 54.105 52.037 0.088 0.000 0.644 179 A CB -0.776 18.274 19.000 0.082 0.000 0.805 179 A HN 0.838 nan 8.150 nan 0.000 0.449 180 S N -0.204 115.585 115.700 0.149 0.000 2.474 180 S HA -0.006 4.466 4.470 0.003 0.000 0.235 180 S C 1.476 176.168 174.600 0.152 0.000 0.997 180 S CA 1.207 59.476 58.200 0.115 0.000 0.949 180 S CB -0.546 62.682 63.200 0.046 0.000 0.766 180 S HN 0.476 nan 8.310 nan 0.000 0.517 181 L N 0.777 122.129 121.223 0.215 0.000 2.591 181 L HA 0.275 4.617 4.340 0.003 0.000 0.228 181 L C 0.444 177.486 176.870 0.287 0.000 1.133 181 L CA -0.178 54.815 54.840 0.256 0.000 0.880 181 L CB -1.168 41.096 42.059 0.342 0.000 1.033 181 L HN 0.294 nan 8.230 nan 0.000 0.450 182 N N 0.810 119.620 118.700 0.182 0.000 2.637 182 N HA -0.130 4.612 4.740 0.003 0.000 0.287 182 N C -2.485 173.074 175.510 0.081 0.000 1.130 182 N CA -0.444 52.670 53.050 0.107 0.000 0.764 182 N CB -0.266 38.273 38.487 0.086 0.000 0.935 182 N HN 0.105 nan 8.380 nan 0.000 0.558 183 P HA 0.076 nan 4.420 nan 0.000 0.271 183 P C -1.920 175.233 177.300 -0.244 0.000 1.220 183 P CA -1.148 61.655 63.100 -0.496 0.000 0.768 183 P CB 0.754 32.102 31.700 -0.587 0.000 0.848 184 P HA -0.149 nan 4.420 nan 0.000 0.218 184 P C 0.520 177.585 177.300 -0.391 0.000 1.148 184 P CA 1.649 64.603 63.100 -0.245 0.000 0.822 184 P CB -0.128 31.425 31.700 -0.246 0.000 0.784 185 H N -2.442 116.553 119.070 -0.124 0.000 2.529 185 H HA 0.208 4.765 4.556 0.003 0.000 0.277 185 H C 0.334 175.605 175.328 -0.095 0.000 1.004 185 H CA -0.472 55.519 56.048 -0.096 0.000 1.167 185 H CB -0.368 29.339 29.762 -0.091 0.000 1.445 185 H HN 0.009 nan 8.280 nan 0.000 0.554 186 L N 1.860 123.054 121.223 -0.048 0.000 2.407 186 L HA 0.130 4.471 4.340 0.003 0.000 0.282 186 L C 0.451 177.292 176.870 -0.047 0.000 1.110 186 L CA 0.070 54.877 54.840 -0.055 0.000 0.863 186 L CB 0.435 42.443 42.059 -0.084 0.000 1.207 186 L HN -0.059 nan 8.230 nan 0.000 0.454 187 K N 4.184 124.558 120.400 -0.044 0.000 2.353 187 K HA 0.545 4.867 4.320 0.003 0.000 0.195 187 K C 0.119 176.687 176.600 -0.054 0.000 1.031 187 K CA 0.613 56.881 56.287 -0.033 0.000 1.079 187 K CB 0.561 33.051 32.500 -0.016 0.000 0.857 187 K HN 0.650 nan 8.250 nan 0.000 0.535 191 P HA -0.025 nan 4.420 nan 0.000 0.273 191 P C -0.414 176.767 177.300 -0.198 0.000 1.428 191 P CA 0.208 63.062 63.100 -0.410 0.000 0.995 191 P CB 0.277 31.269 31.700 -1.180 0.000 1.286 192 W N 5.855 127.018 121.300 -0.228 0.000 2.226 192 W HA 0.139 4.800 4.660 0.001 0.000 0.379 192 W C -0.374 176.003 176.519 -0.236 0.000 0.923 192 W CA 0.183 57.425 57.345 -0.173 0.000 1.524 192 W CB -0.261 29.135 29.460 -0.107 0.000 1.552 192 W HN 0.551 nan 8.180 nan 0.000 0.337 193 E N 2.070 122.126 120.200 -0.240 0.000 4.220 193 E HA -0.136 4.215 4.350 0.003 0.000 0.160 193 E C -0.147 176.218 176.600 -0.391 0.000 1.630 193 E CA 0.687 56.940 56.400 -0.246 0.000 0.960 193 E CB -1.245 28.341 29.700 -0.189 0.000 1.061 193 E HN 0.645 nan 8.360 nan 0.000 0.360 194 G N 1.864 110.572 108.800 -0.152 0.000 2.740 194 G HA2 0.560 4.522 3.960 0.003 0.000 0.296 194 G HA3 0.560 4.522 3.960 0.003 0.000 0.296 194 G C -0.077 174.944 174.900 0.201 0.000 1.439 194 G CA -0.814 44.210 45.100 -0.127 0.000 1.066 194 G HN 0.284 nan 8.290 nan 0.000 0.527 195 L N 0.503 121.842 121.223 0.193 0.000 2.474 195 L HA 0.659 5.001 4.340 0.003 0.000 0.259 195 L C 0.592 177.389 176.870 -0.122 0.000 1.232 195 L CA -0.209 54.632 54.840 0.001 0.000 0.821 195 L CB 0.428 42.457 42.059 -0.049 0.000 1.108 195 L HN 0.614 nan 8.230 nan 0.000 0.495 196 N N -3.063 115.519 118.700 -0.196 0.000 2.073 196 N HA 0.244 4.986 4.740 0.003 0.000 0.227 196 N C -0.850 174.601 175.510 -0.098 0.000 1.367 196 N CA -0.369 52.551 53.050 -0.217 0.000 0.775 196 N CB 0.050 38.239 38.487 -0.497 0.000 1.234 196 N HN 0.772 nan 8.380 nan 0.000 0.512 200 R N 0.703 121.044 120.500 -0.265 0.000 2.246 200 R HA 0.147 4.489 4.340 0.003 0.000 0.199 200 R C 0.778 176.889 176.300 -0.316 0.000 0.984 200 R CA 1.462 57.362 56.100 -0.332 0.000 1.015 200 R CB 0.217 30.346 30.300 -0.285 0.000 0.930 200 R HN 0.479 nan 8.270 nan 0.000 0.475 201 E N -1.161 118.873 120.200 -0.278 0.000 2.421 201 E HA 0.030 4.382 4.350 0.003 0.000 0.209 201 E C 1.146 177.609 176.600 -0.228 0.000 0.871 201 E CA 0.196 56.478 56.400 -0.196 0.000 1.064 201 E CB 1.062 30.686 29.700 -0.128 0.000 1.075 201 E HN -0.012 nan 8.360 nan 0.000 0.513 202 V N -0.412 119.328 119.914 -0.290 0.000 3.161 202 V HA 0.264 4.386 4.120 0.003 0.000 0.228 202 V C 1.562 177.396 176.094 -0.433 0.000 1.415 202 V CA 0.954 63.143 62.300 -0.185 0.000 1.285 202 V CB 0.675 32.583 31.823 0.140 0.000 1.100 202 V HN 0.183 nan 8.190 nan 0.000 0.478 203 A N 0.170 122.586 122.820 -0.674 0.000 1.930 203 A HA 0.263 4.585 4.320 0.003 0.000 0.217 203 A C 0.624 177.249 177.584 -1.599 0.000 1.175 203 A CA 1.412 52.614 52.037 -1.391 0.000 0.627 203 A CB -0.289 17.961 19.000 -1.249 0.000 0.815 203 A HN 0.582 nan 8.150 nan 0.000 0.443 204 F N -2.588 116.735 119.950 -1.044 0.000 2.619 204 F HA 0.474 5.003 4.527 0.003 0.000 0.308 204 F C -0.607 174.544 175.800 -1.082 0.000 1.097 204 F CA -0.808 56.600 58.000 -0.986 0.000 0.953 204 F CB 1.478 39.806 39.000 -1.120 0.000 1.287 204 F HN 0.048 nan 8.300 nan 0.000 0.446 205 H N 0.163 118.959 119.070 -0.456 0.000 2.551 205 H HA 0.491 5.048 4.556 0.003 0.000 0.321 205 H C 0.643 175.747 175.328 -0.373 0.000 1.028 205 H CA -0.240 55.474 56.048 -0.556 0.000 1.215 205 H CB 1.550 30.592 29.762 -1.201 0.000 1.414 205 H HN 0.936 nan 8.280 nan 0.000 0.480 206 G N 2.422 111.149 108.800 -0.121 0.000 2.258 206 G HA2 -0.216 3.746 3.960 0.003 0.000 0.274 206 G HA3 -0.216 3.746 3.960 0.003 0.000 0.274 206 G C 1.186 176.030 174.900 -0.093 0.000 1.021 206 G CA 0.644 45.720 45.100 -0.039 0.000 0.798 206 G HN 1.440 nan 8.290 nan 0.000 0.507 207 G N -1.585 107.026 108.800 -0.314 0.000 2.199 207 G HA2 -0.261 3.701 3.960 0.003 0.000 0.254 207 G HA3 -0.261 3.701 3.960 0.003 0.000 0.254 207 G C 0.404 175.106 174.900 -0.330 0.000 0.982 207 G CA 0.391 45.197 45.100 -0.491 0.000 0.632 207 G HN 1.367 nan 8.290 nan 0.000 0.529 208 I N 3.311 123.756 120.570 -0.208 0.000 2.325 208 I HA 0.311 4.483 4.170 0.003 0.000 0.291 208 I C -1.835 174.300 176.117 0.031 0.000 1.019 208 I CA -2.374 58.876 61.300 -0.082 0.000 1.302 208 I CB 1.388 39.259 38.000 -0.214 0.000 1.401 208 I HN -0.106 nan 8.210 nan 0.000 0.485 209 P HA -0.007 nan 4.420 nan 0.000 0.271 209 P C -0.758 176.434 177.300 -0.181 0.000 1.216 209 P CA -0.129 62.825 63.100 -0.243 0.000 0.771 209 P CB 0.643 32.261 31.700 -0.136 0.000 0.864 210 D N 2.373 122.536 120.400 -0.395 0.000 2.339 210 D HA 0.056 4.698 4.640 0.003 0.000 0.256 210 D C 0.993 177.242 176.300 -0.085 0.000 1.214 210 D CA 0.054 53.903 54.000 -0.252 0.000 0.877 210 D CB 0.334 41.032 40.800 -0.169 0.000 1.111 210 D HN 0.269 nan 8.370 nan 0.000 0.478 211 T N 0.244 114.772 114.554 -0.043 0.000 3.086 211 T HA 0.324 4.676 4.350 0.003 0.000 0.250 211 T C 1.122 175.880 174.700 0.098 0.000 1.074 211 T CA 0.179 62.310 62.100 0.052 0.000 0.988 211 T CB 0.544 69.445 68.868 0.055 0.000 0.988 211 T HN 0.271 nan 8.240 nan 0.000 0.530 212 G N 0.796 109.670 108.800 0.122 0.000 2.968 212 G HA2 0.315 4.277 3.960 0.003 0.000 0.206 212 G HA3 0.315 4.277 3.960 0.003 0.000 0.206 212 G C 0.662 175.737 174.900 0.291 0.000 2.051 212 G CA -0.193 45.009 45.100 0.170 0.000 0.773 212 G HN 0.188 nan 8.290 nan 0.000 0.741 213 F N 0.366 120.469 119.950 0.254 0.000 2.085 213 F HA -0.241 4.289 4.527 0.005 0.000 0.299 213 F C 2.361 178.473 175.800 0.519 0.000 1.096 213 F CA 2.344 60.590 58.000 0.410 0.000 1.227 213 F CB -0.434 38.864 39.000 0.496 0.000 0.983 213 F HN 0.285 nan 8.300 nan 0.000 0.482 214 Y N 1.217 121.702 120.300 0.308 0.000 2.114 214 Y HA -0.289 4.263 4.550 0.003 0.000 0.282 214 Y C 2.547 178.589 175.900 0.236 0.000 1.165 214 Y CA 2.403 60.644 58.100 0.235 0.000 1.148 214 Y CB -0.530 38.014 38.460 0.141 0.000 0.972 214 Y HN 0.046 nan 8.280 nan 0.000 0.504 215 R N -1.288 119.331 120.500 0.199 0.000 2.090 215 R HA -0.116 4.225 4.340 0.003 0.000 0.228 215 R C 2.219 178.541 176.300 0.036 0.000 1.110 215 R CA 1.362 57.507 56.100 0.076 0.000 0.973 215 R CB -0.812 29.576 30.300 0.147 0.000 0.869 215 R HN 0.438 nan 8.270 nan 0.000 0.440 216 F N 0.624 120.533 119.950 -0.069 0.000 2.126 216 F HA -0.242 4.286 4.527 0.003 0.000 0.299 216 F C 2.099 177.807 175.800 -0.152 0.000 1.096 216 F CA 1.319 59.257 58.000 -0.103 0.000 1.255 216 F CB -0.379 38.576 39.000 -0.075 0.000 0.997 216 F HN 0.076 nan 8.300 nan 0.000 0.479 217 W N 1.458 122.438 121.300 -0.534 0.000 2.378 217 W HA -0.136 4.526 4.660 0.004 0.000 0.313 217 W C 2.369 178.659 176.519 -0.380 0.000 1.197 217 W CA 2.775 59.763 57.345 -0.594 0.000 1.304 217 W CB -0.913 28.137 29.460 -0.684 0.000 1.148 217 W HN -0.065 nan 8.180 nan 0.000 0.494 218 T N 0.989 115.276 114.554 -0.445 0.000 2.684 218 T HA -0.305 4.046 4.350 0.003 0.000 0.267 218 T C 1.657 176.185 174.700 -0.285 0.000 1.036 218 T CA 2.174 63.949 62.100 -0.542 0.000 1.148 218 T CB -0.538 68.127 68.868 -0.339 0.000 0.863 218 T HN 0.311 nan 8.240 nan 0.000 0.436 219 Q N 0.209 119.870 119.800 -0.232 0.000 2.135 219 Q HA -0.050 4.292 4.340 0.003 0.000 0.204 219 Q C 2.737 178.608 176.000 -0.215 0.000 0.981 219 Q CA 1.330 57.031 55.803 -0.169 0.000 0.856 219 Q CB -0.512 28.129 28.738 -0.163 0.000 0.902 219 Q HN 0.618 nan 8.270 nan 0.000 0.425 220 G N 1.017 109.570 108.800 -0.410 0.000 2.440 220 G HA2 -0.249 3.713 3.960 0.003 0.000 0.218 220 G HA3 -0.249 3.713 3.960 0.003 0.000 0.218 220 G C 1.390 176.061 174.900 -0.382 0.000 1.154 220 G CA 0.792 45.613 45.100 -0.465 0.000 0.767 220 G HN 0.246 nan 8.290 nan 0.000 0.552 221 I N -0.547 119.786 120.570 -0.395 0.000 2.202 221 I HA -0.099 4.073 4.170 0.003 0.000 0.242 221 I C 2.481 178.464 176.117 -0.224 0.000 1.091 221 I CA 0.857 61.969 61.300 -0.314 0.000 1.368 221 I CB -0.340 37.408 38.000 -0.419 0.000 1.058 221 I HN 0.064 nan 8.210 nan 0.000 0.410 222 F N 1.191 121.000 119.950 -0.235 0.000 2.120 222 F HA -0.281 4.248 4.527 0.003 0.000 0.300 222 F C 2.624 178.322 175.800 -0.170 0.000 1.095 222 F CA 1.772 59.680 58.000 -0.154 0.000 1.249 222 F CB -0.585 38.325 39.000 -0.150 0.000 0.995 222 F HN 0.024 nan 8.300 nan 0.000 0.480 223 A N -0.676 122.117 122.820 -0.045 0.000 2.015 223 A HA -0.175 4.147 4.320 0.003 0.000 0.219 223 A C 2.086 179.508 177.584 -0.271 0.000 1.163 223 A CA 1.510 53.465 52.037 -0.136 0.000 0.646 223 A CB -0.577 18.324 19.000 -0.164 0.000 0.806 223 A HN 0.270 nan 8.150 nan 0.000 0.448 224 R N -1.425 118.811 120.500 -0.440 0.000 2.115 224 R HA -0.079 4.263 4.340 0.003 0.000 0.226 224 R C -0.327 175.348 176.300 -1.041 0.000 1.100 224 R CA 0.953 56.552 56.100 -0.835 0.000 0.980 224 R CB -0.213 29.441 30.300 -1.077 0.000 0.875 224 R HN 0.642 nan 8.270 nan 0.000 0.445 225 W N -0.059 121.177 121.300 -0.107 0.000 1.683 225 W HA 0.242 4.904 4.660 0.003 0.000 0.295 225 W C 0.606 177.075 176.519 -0.083 0.000 0.865 225 W CA -0.336 56.946 57.345 -0.105 0.000 2.079 225 W CB 0.585 29.962 29.460 -0.138 0.000 2.263 225 W HN -0.043 nan 8.180 nan 0.000 0.427 226 T N -3.549 111.043 114.554 0.063 0.000 3.007 226 T HA -0.224 4.128 4.350 0.003 0.000 0.270 226 T C 1.121 175.863 174.700 0.070 0.000 1.107 226 T CA 1.704 63.840 62.100 0.059 0.000 1.118 226 T CB -0.036 68.842 68.868 0.016 0.000 0.889 226 T HN 0.272 nan 8.240 nan 0.000 0.506 227 D N 0.343 120.792 120.400 0.081 0.000 2.328 227 D HA 0.054 4.696 4.640 0.003 0.000 0.221 227 D C 0.267 176.592 176.300 0.043 0.000 1.072 227 D CA -0.385 53.648 54.000 0.055 0.000 0.850 227 D CB -0.537 40.290 40.800 0.044 0.000 0.922 227 D HN 0.302 nan 8.370 nan 0.000 0.516 228 N N 1.722 120.454 118.700 0.054 0.000 2.457 228 N HA 0.156 4.898 4.740 0.003 0.000 0.250 228 N C -1.903 173.607 175.510 0.001 0.000 0.982 228 N CA -1.883 51.169 53.050 0.002 0.000 0.941 228 N CB 1.834 40.301 38.487 -0.033 0.000 1.120 228 N HN -0.143 nan 8.380 nan 0.000 0.505 229 P HA 0.123 nan 4.420 nan 0.000 0.249 229 P C -0.648 176.659 177.300 0.012 0.000 1.229 229 P CA 0.480 63.596 63.100 0.026 0.000 0.788 229 P CB 0.100 31.814 31.700 0.023 0.000 1.072 230 N N -0.195 118.484 118.700 -0.035 0.000 2.328 230 N HA 0.234 4.976 4.740 0.003 0.000 0.247 230 N C -0.049 175.401 175.510 -0.100 0.000 1.165 230 N CA -0.281 52.742 53.050 -0.045 0.000 0.873 230 N CB 0.191 38.649 38.487 -0.049 0.000 1.125 230 N HN 0.122 nan 8.380 nan 0.000 0.513 231 I N 0.957 121.416 120.570 -0.185 0.000 2.395 231 I HA 0.056 4.228 4.170 0.003 0.000 0.289 231 I C 0.757 176.731 176.117 -0.239 0.000 1.023 231 I CA -0.548 60.512 61.300 -0.400 0.000 1.350 231 I CB 0.998 38.411 38.000 -0.979 0.000 1.409 231 I HN 0.209 nan 8.210 nan 0.000 0.507 232 E N 5.376 125.495 120.200 -0.136 0.000 2.376 232 E HA -0.085 4.267 4.350 0.003 0.000 0.266 232 E C -0.520 176.212 176.600 0.220 0.000 1.009 232 E CA -0.405 56.027 56.400 0.054 0.000 0.902 232 E CB 0.656 30.395 29.700 0.065 0.000 0.972 232 E HN 0.411 nan 8.360 nan 0.000 0.439 233 D N 5.296 125.881 120.400 0.308 0.000 2.483 233 D HA 0.050 4.692 4.640 0.003 0.000 0.220 233 D C 0.645 177.089 176.300 0.240 0.000 1.173 233 D CA 0.023 54.228 54.000 0.342 0.000 0.964 233 D CB 0.220 41.131 40.800 0.184 0.000 1.046 233 D HN 0.547 nan 8.370 nan 0.000 0.517 234 L N 3.456 124.847 121.223 0.280 0.000 2.395 234 L HA -0.050 4.292 4.340 0.003 0.000 0.218 234 L C 2.007 179.093 176.870 0.360 0.000 1.130 234 L CA -0.018 55.022 54.840 0.334 0.000 0.826 234 L CB 0.030 42.286 42.059 0.327 0.000 0.941 234 L HN 0.457 nan 8.230 nan 0.000 0.451 235 I N -0.145 120.546 120.570 0.201 0.000 2.163 235 I HA -0.275 3.897 4.170 0.003 0.000 0.240 235 I C 2.559 178.786 176.117 0.184 0.000 1.081 235 I CA 1.422 62.836 61.300 0.190 0.000 1.353 235 I CB -0.914 37.103 38.000 0.029 0.000 1.054 235 I HN 0.328 nan 8.210 nan 0.000 0.407 236 Q N 1.315 121.181 119.800 0.111 0.000 2.167 236 Q HA -0.061 4.281 4.340 0.003 0.000 0.202 236 Q C 2.169 178.218 176.000 0.081 0.000 0.970 236 Q CA 1.989 57.835 55.803 0.072 0.000 0.855 236 Q CB -0.319 28.435 28.738 0.026 0.000 0.911 236 Q HN 0.440 nan 8.270 nan 0.000 0.438 237 A N 0.254 123.139 122.820 0.108 0.000 1.902 237 A HA -0.252 4.070 4.320 0.003 0.000 0.217 237 A C 2.070 179.817 177.584 0.271 0.000 1.181 237 A CA 1.691 53.728 52.037 0.000 0.000 0.623 237 A CB -0.728 18.188 19.000 -0.140 0.000 0.818 237 A HN 0.602 nan 8.150 nan 0.000 0.443 238 Q N -1.092 118.978 119.800 0.451 0.000 2.079 238 Q HA -0.217 4.125 4.340 0.003 0.000 0.200 238 Q C 2.183 178.434 176.000 0.418 0.000 0.974 238 Q CA 1.431 57.539 55.803 0.509 0.000 0.840 238 Q CB -0.151 28.710 28.738 0.205 0.000 0.898 238 Q HN 0.646 nan 8.270 nan 0.000 0.430 239 Q N 0.579 120.528 119.800 0.249 0.000 2.061 239 Q HA -0.203 4.139 4.340 0.003 0.000 0.204 239 Q C 1.702 177.790 176.000 0.147 0.000 0.984 239 Q CA 1.970 57.880 55.803 0.178 0.000 0.846 239 Q CB -0.134 28.662 28.738 0.097 0.000 0.902 239 Q HN 0.705 nan 8.270 nan 0.000 0.421 240 E N -0.785 119.439 120.200 0.040 0.000 2.474 240 E HA -0.046 4.306 4.350 0.003 0.000 0.195 240 E C -0.093 176.310 176.600 -0.329 0.000 1.039 240 E CA 0.147 56.451 56.400 -0.159 0.000 0.881 240 E CB 0.212 29.740 29.700 -0.286 0.000 0.970 240 E HN 0.297 nan 8.360 nan 0.000 0.486 241 H N 1.539 120.717 119.070 0.180 0.000 2.348 241 H HA 0.198 4.756 4.556 0.003 0.000 0.232 241 H C -1.960 173.690 175.328 0.538 0.000 1.419 241 H CA -1.794 54.423 56.048 0.281 0.000 1.416 241 H CB 1.405 31.215 29.762 0.081 0.000 1.510 241 H HN 0.196 nan 8.280 nan 0.000 0.507 242 P HA -0.017 nan 4.420 nan 0.000 0.233 242 P C 0.419 177.775 177.300 0.093 0.000 1.167 242 P CA 0.487 63.704 63.100 0.195 0.000 0.770 242 P CB 1.211 33.035 31.700 0.207 0.000 0.837 243 L N -1.703 119.628 121.223 0.180 0.000 2.286 243 L HA 0.449 4.791 4.340 0.003 0.000 0.265 243 L C 0.113 176.871 176.870 -0.185 0.000 1.012 243 L CA -1.384 53.468 54.840 0.021 0.000 0.818 243 L CB 1.192 43.266 42.059 0.026 0.000 1.337 243 L HN -0.294 nan 8.230 nan 0.000 0.438 244 F N 2.613 122.183 119.950 -0.635 0.000 2.619 244 F HA 0.169 4.699 4.527 0.004 0.000 0.350 244 F C 0.146 175.894 175.800 -0.088 0.000 1.259 244 F CA -1.037 56.601 58.000 -0.603 0.000 1.204 244 F CB -0.657 38.013 39.000 -0.550 0.000 1.556 244 F HN 0.456 nan 8.300 nan 0.000 0.650 245 D N 1.592 121.926 120.400 -0.109 0.000 2.595 245 D HA 0.155 4.797 4.640 0.003 0.000 0.268 245 D C 0.727 176.919 176.300 -0.179 0.000 1.181 245 D CA -0.452 53.499 54.000 -0.082 0.000 1.085 245 D CB 0.185 41.046 40.800 0.102 0.000 1.186 245 D HN 0.147 nan 8.370 nan 0.000 0.621 246 D N -1.016 119.331 120.400 -0.088 0.000 2.144 246 D HA -0.119 4.523 4.640 0.003 0.000 0.199 246 D C 1.593 177.816 176.300 -0.128 0.000 0.984 246 D CA 0.755 54.693 54.000 -0.104 0.000 0.834 246 D CB -0.471 40.308 40.800 -0.034 0.000 0.955 246 D HN 0.342 nan 8.370 nan 0.000 0.465 247 F N -0.010 119.756 119.950 -0.307 0.000 2.043 247 F HA -0.227 4.302 4.527 0.003 0.000 0.297 247 F C 2.033 177.621 175.800 -0.353 0.000 1.121 247 F CA 1.748 59.448 58.000 -0.500 0.000 1.199 247 F CB -0.558 37.720 39.000 -1.204 0.000 0.968 247 F HN -0.004 nan 8.300 nan 0.000 0.478 248 W N 0.684 121.942 121.300 -0.070 0.000 2.467 248 W HA -0.040 4.622 4.660 0.004 0.000 0.275 248 W C 2.362 178.808 176.519 -0.121 0.000 1.239 248 W CA 0.681 58.030 57.345 0.007 0.000 1.266 248 W CB -0.261 29.361 29.460 0.270 0.000 1.112 248 W HN -0.099 nan 8.180 nan 0.000 0.576 249 K N 0.403 120.637 120.400 -0.277 0.000 2.152 249 K HA -0.206 4.116 4.320 0.003 0.000 0.206 249 K C 1.706 178.342 176.600 0.060 0.000 1.048 249 K CA 1.307 57.444 56.287 -0.250 0.000 0.933 249 K CB -0.322 31.956 32.500 -0.369 0.000 0.721 249 K HN 0.285 nan 8.250 nan 0.000 0.447 250 Q N 0.067 119.868 119.800 0.002 0.000 2.488 250 Q HA -0.016 4.325 4.340 0.003 0.000 0.211 250 Q C 0.718 176.881 176.000 0.273 0.000 0.967 250 Q CA 0.543 56.397 55.803 0.085 0.000 0.926 250 Q CB 0.379 29.062 28.738 -0.092 0.000 0.992 250 Q HN 0.105 nan 8.270 nan 0.000 0.506 251 R N 0.235 120.941 120.500 0.344 0.000 2.546 251 R HA 0.145 4.487 4.340 0.003 0.000 0.320 251 R C -0.195 176.481 176.300 0.627 0.000 1.021 251 R CA 0.026 56.486 56.100 0.599 0.000 1.088 251 R CB 0.373 31.016 30.300 0.572 0.000 1.278 251 R HN 0.213 nan 8.270 nan 0.000 0.557 252 Q N 1.440 121.527 119.800 0.479 0.000 2.372 252 Q HA 0.258 4.599 4.340 0.003 0.000 0.259 252 Q C -0.721 175.265 176.000 -0.024 0.000 0.993 252 Q CA -0.385 55.584 55.803 0.276 0.000 0.854 252 Q CB 1.551 30.528 28.738 0.399 0.000 1.231 252 Q HN -0.125 nan 8.270 nan 0.000 0.462 253 V N 6.750 126.429 119.914 -0.391 0.000 2.673 253 V HA 0.102 4.224 4.120 0.003 0.000 0.303 253 V C -1.840 174.037 176.094 -0.362 0.000 1.046 253 V CA -0.894 60.913 62.300 -0.822 0.000 1.126 253 V CB 0.627 31.904 31.823 -0.910 0.000 0.934 253 V HN 0.784 nan 8.190 nan 0.000 0.487 254 P HA 0.203 nan 4.420 nan 0.000 0.252 254 P C 0.773 178.003 177.300 -0.116 0.000 1.727 254 P CA -0.057 62.973 63.100 -0.117 0.000 1.134 254 P CB 0.359 32.033 31.700 -0.044 0.000 1.876 255 L N 1.655 122.793 121.223 -0.141 0.000 2.131 255 L HA -0.178 4.164 4.340 0.003 0.000 0.210 255 L C 2.458 179.284 176.870 -0.072 0.000 1.092 255 L CA 1.919 56.679 54.840 -0.132 0.000 0.759 255 L CB -0.761 41.173 42.059 -0.209 0.000 0.903 255 L HN 0.291 nan 8.230 nan 0.000 0.435 256 S N -1.134 114.524 115.700 -0.070 0.000 2.507 256 S HA -0.173 4.299 4.470 0.003 0.000 0.235 256 S C 1.708 176.291 174.600 -0.027 0.000 0.988 256 S CA 0.533 58.700 58.200 -0.055 0.000 0.944 256 S CB -0.238 62.924 63.200 -0.064 0.000 0.762 256 S HN 0.510 nan 8.310 nan 0.000 0.526 257 Q N 0.313 120.104 119.800 -0.014 0.000 2.369 257 Q HA 0.225 4.566 4.340 0.003 0.000 0.206 257 Q C 0.120 176.138 176.000 0.030 0.000 0.963 257 Q CA 0.374 56.184 55.803 0.012 0.000 0.894 257 Q CB -0.222 28.531 28.738 0.025 0.000 0.965 257 Q HN 0.629 nan 8.270 nan 0.000 0.475 258 I N 1.658 122.249 120.570 0.035 0.000 2.517 258 I HA -0.058 4.114 4.170 0.003 0.000 0.285 258 I C 0.874 177.019 176.117 0.048 0.000 1.106 258 I CA 0.565 61.905 61.300 0.067 0.000 1.402 258 I CB 0.732 38.806 38.000 0.123 0.000 1.399 258 I HN 0.036 nan 8.210 nan 0.000 0.535 259 K N 2.875 123.303 120.400 0.047 0.000 2.380 259 K HA 0.146 4.468 4.320 0.003 0.000 0.198 259 K C 0.266 176.891 176.600 0.043 0.000 1.070 259 K CA 0.003 56.311 56.287 0.036 0.000 1.040 259 K CB 0.551 33.068 32.500 0.028 0.000 0.903 259 K HN 0.547 nan 8.250 nan 0.000 0.549 260 T N 4.024 118.608 114.554 0.050 0.000 2.916 260 T HA 0.097 4.449 4.350 0.003 0.000 0.303 260 T C -2.553 172.184 174.700 0.062 0.000 1.025 260 T CA -1.056 61.069 62.100 0.041 0.000 1.142 260 T CB 0.666 69.558 68.868 0.041 0.000 0.947 260 T HN -0.104 nan 8.240 nan 0.000 0.544 261 P HA 0.156 nan 4.420 nan 0.000 0.264 261 P C -0.940 176.546 177.300 0.310 0.000 1.183 261 P CA -0.219 62.886 63.100 0.008 0.000 0.763 261 P CB 0.314 31.609 31.700 -0.675 0.000 0.807 262 L N 4.985 126.506 121.223 0.497 0.000 2.438 262 L HA 0.586 4.928 4.340 0.003 0.000 0.270 262 L C -1.801 175.228 176.870 0.264 0.000 0.972 262 L CA -0.791 54.270 54.840 0.368 0.000 0.831 262 L CB 1.864 44.084 42.059 0.269 0.000 1.273 262 L HN 0.092 nan 8.230 nan 0.000 0.405 263 L N 4.727 125.823 121.223 -0.211 0.000 2.318 263 L HA 0.668 5.010 4.340 0.003 0.000 0.277 263 L C -0.619 176.146 176.870 -0.175 0.000 1.008 263 L CA 0.330 54.962 54.840 -0.347 0.000 0.846 263 L CB 1.457 42.845 42.059 -1.119 0.000 1.220 263 L HN 0.737 nan 8.230 nan 0.000 0.423 264 T N 3.808 118.316 114.554 -0.076 0.000 2.837 264 T HA 0.343 4.695 4.350 0.003 0.000 0.285 264 T C -0.593 173.867 174.700 -0.400 0.000 0.984 264 T CA -0.268 61.735 62.100 -0.161 0.000 1.049 264 T CB 0.968 69.860 68.868 0.040 0.000 0.947 264 T HN 0.723 nan 8.240 nan 0.000 0.472 265 C N 3.535 122.460 119.300 -0.624 0.000 2.351 265 C HA 0.869 5.331 4.460 0.003 0.000 0.326 265 C C 0.249 174.775 174.990 -0.772 0.000 1.272 265 C CA -0.386 58.063 59.018 -0.948 0.000 1.650 265 C CB -1.183 25.339 27.740 -2.029 0.000 2.257 265 C HN 1.039 nan 8.230 nan 0.000 0.505 266 A N 4.187 126.479 122.820 -0.880 0.000 2.354 266 A HA 0.883 5.205 4.320 0.003 0.000 0.321 266 A C -0.513 176.490 177.584 -0.969 0.000 1.125 266 A CA -0.359 51.114 52.037 -0.941 0.000 0.799 266 A CB 1.613 19.650 19.000 -1.605 0.000 1.293 266 A HN 1.132 nan 8.150 nan 0.000 0.452 267 S N -0.688 114.565 115.700 -0.745 0.000 2.547 267 S HA 0.441 4.913 4.470 0.003 0.000 0.281 267 S C -0.136 174.246 174.600 -0.363 0.000 1.118 267 S CA -0.625 57.094 58.200 -0.801 0.000 0.947 267 S CB 0.486 63.263 63.200 -0.705 0.000 1.053 267 S HN 0.663 nan 8.310 nan 0.000 0.482 268 W N 2.449 123.630 121.300 -0.198 0.000 2.468 268 W HA -0.030 4.623 4.660 -0.011 0.000 0.262 268 W C 1.838 178.323 176.519 -0.056 0.000 1.241 268 W CA 0.309 57.591 57.345 -0.104 0.000 1.232 268 W CB -0.043 29.325 29.460 -0.154 0.000 1.124 268 W HN 0.584 nan 8.180 nan 0.000 0.597 269 S N -1.350 114.426 115.700 0.126 0.000 2.593 269 S HA -0.019 4.453 4.470 0.003 0.000 0.217 269 S C 1.093 175.788 174.600 0.158 0.000 0.966 269 S CA 0.602 58.888 58.200 0.143 0.000 0.914 269 S CB 0.210 63.469 63.200 0.099 0.000 0.776 269 S HN 0.138 nan 8.310 nan 0.000 0.523 270 T N 2.323 116.944 114.554 0.113 0.000 3.355 270 T HA 0.206 4.558 4.350 0.003 0.000 0.276 270 T C -0.283 174.417 174.700 0.001 0.000 1.003 270 T CA -0.342 61.816 62.100 0.098 0.000 0.943 270 T CB -0.073 68.821 68.868 0.044 0.000 1.158 270 T HN 0.308 nan 8.240 nan 0.000 0.513 271 Q N 0.253 120.127 119.800 0.124 0.000 2.271 271 Q HA 0.434 4.776 4.340 0.003 0.000 0.273 271 Q C 1.267 177.360 176.000 0.156 0.000 1.051 271 Q CA 0.782 56.666 55.803 0.134 0.000 0.901 271 Q CB 0.787 29.627 28.738 0.169 0.000 1.174 271 Q HN 0.572 nan 8.270 nan 0.000 0.385 272 G N 1.603 110.417 108.800 0.023 0.000 2.218 272 G HA2 -0.223 3.738 3.960 0.003 0.000 0.216 272 G HA3 -0.223 3.738 3.960 0.003 0.000 0.216 272 G C -0.223 174.481 174.900 -0.326 0.000 0.994 272 G CA 0.226 45.248 45.100 -0.130 0.000 0.637 272 G HN 0.511 nan 8.290 nan 0.000 0.505 273 L N -1.497 119.372 121.223 -0.590 0.000 3.886 273 L HA 0.598 4.940 4.340 0.003 0.000 0.194 273 L C 1.877 178.476 176.870 -0.452 0.000 1.190 273 L CA 0.692 55.125 54.840 -0.678 0.000 1.103 273 L CB -0.501 40.850 42.059 -1.180 0.000 1.665 273 L HN 0.019 nan 8.230 nan 0.000 0.752 274 H N 0.296 119.252 119.070 -0.190 0.000 2.544 274 H HA 0.117 4.674 4.556 0.003 0.000 0.269 274 H C 1.555 176.824 175.328 -0.098 0.000 0.970 274 H CA 0.849 56.825 56.048 -0.121 0.000 1.219 274 H CB -0.203 29.502 29.762 -0.096 0.000 1.421 274 H HN 0.446 nan 8.280 nan 0.000 0.555 275 N N 2.328 121.038 118.700 0.017 0.000 2.043 275 N HA -0.196 4.546 4.740 0.003 0.000 0.193 275 N C 2.076 177.680 175.510 0.155 0.000 1.037 275 N CA 1.247 54.339 53.050 0.070 0.000 0.851 275 N CB -0.056 38.499 38.487 0.115 0.000 1.027 275 N HN 0.310 nan 8.380 nan 0.000 0.422 276 R N -0.261 120.293 120.500 0.090 0.000 2.083 276 R HA -0.083 4.259 4.340 0.003 0.000 0.237 276 R C 2.277 178.605 176.300 0.046 0.000 1.137 276 R CA 1.943 58.088 56.100 0.075 0.000 0.951 276 R CB -0.784 29.505 30.300 -0.019 0.000 0.851 276 R HN 0.366 nan 8.270 nan 0.000 0.434 277 G N -0.964 107.813 108.800 -0.039 0.000 2.511 277 G HA2 -0.132 3.830 3.960 0.003 0.000 0.217 277 G HA3 -0.132 3.830 3.960 0.003 0.000 0.217 277 G C 1.325 176.100 174.900 -0.208 0.000 1.133 277 G CA 0.510 45.519 45.100 -0.152 0.000 0.792 277 G HN 0.323 nan 8.290 nan 0.000 0.539 278 S N 0.699 116.348 115.700 -0.086 0.000 2.356 278 S HA -0.064 4.408 4.470 0.003 0.000 0.223 278 S C 1.937 176.409 174.600 -0.213 0.000 1.032 278 S CA 0.957 59.093 58.200 -0.107 0.000 1.005 278 S CB -0.370 62.673 63.200 -0.261 0.000 0.867 278 S HN 0.337 nan 8.310 nan 0.000 0.449 279 F N 1.872 121.742 119.950 -0.132 0.000 2.146 279 F HA -0.006 4.520 4.527 -0.002 0.000 0.298 279 F C 2.575 178.370 175.800 -0.009 0.000 1.096 279 F CA 0.823 58.761 58.000 -0.104 0.000 1.275 279 F CB -0.430 38.484 39.000 -0.143 0.000 1.008 279 F HN 0.057 nan 8.300 nan 0.000 0.480 280 E N 0.204 120.454 120.200 0.084 0.000 2.085 280 E HA -0.165 4.187 4.350 0.003 0.000 0.194 280 E C 2.571 179.042 176.600 -0.214 0.000 0.994 280 E CA 1.204 57.595 56.400 -0.016 0.000 0.801 280 E CB -1.109 28.562 29.700 -0.049 0.000 0.743 280 E HN 0.433 nan 8.360 nan 0.000 0.453 281 G N 0.408 108.883 108.800 -0.543 0.000 2.421 281 G HA2 -0.273 3.689 3.960 0.003 0.000 0.216 281 G HA3 -0.273 3.689 3.960 0.003 0.000 0.216 281 G C 1.529 176.272 174.900 -0.261 0.000 1.171 281 G CA 0.658 45.117 45.100 -1.068 0.000 0.775 281 G HN 0.298 nan 8.290 nan 0.000 0.543 282 F N 1.668 121.566 119.950 -0.086 0.000 2.134 282 F HA 0.027 4.559 4.527 0.008 0.000 0.299 282 F C 2.658 178.486 175.800 0.048 0.000 1.097 282 F CA 1.817 59.858 58.000 0.068 0.000 1.264 282 F CB -0.096 38.920 39.000 0.027 0.000 1.001 282 F HN 0.042 nan 8.300 nan 0.000 0.479 283 K N -0.333 120.068 120.400 0.002 0.000 2.025 283 K HA -0.165 4.157 4.320 0.003 0.000 0.207 283 K C 2.103 178.607 176.600 -0.159 0.000 1.049 283 K CA 1.825 58.077 56.287 -0.058 0.000 0.933 283 K CB -0.311 32.281 32.500 0.153 0.000 0.714 283 K HN 0.419 nan 8.250 nan 0.000 0.438 284 Q N 0.151 119.873 119.800 -0.129 0.000 2.354 284 Q HA 0.126 4.467 4.340 0.003 0.000 0.203 284 Q C 0.269 176.191 176.000 -0.129 0.000 0.933 284 Q CA -0.147 55.579 55.803 -0.129 0.000 0.901 284 Q CB 0.342 29.006 28.738 -0.123 0.000 1.007 284 Q HN 0.208 nan 8.270 nan 0.000 0.495 285 A N 0.783 123.528 122.820 -0.124 0.000 2.565 285 A HA 0.179 4.501 4.320 0.003 0.000 0.237 285 A C 1.030 178.558 177.584 -0.093 0.000 1.053 285 A CA 0.734 52.737 52.037 -0.058 0.000 0.755 285 A CB 0.221 19.247 19.000 0.042 0.000 0.980 285 A HN 0.407 nan 8.150 nan 0.000 0.506 286 A N 2.528 125.316 122.820 -0.054 0.000 2.208 286 A HA 0.292 4.614 4.320 0.003 0.000 0.209 286 A C 1.236 178.789 177.584 -0.051 0.000 1.161 286 A CA 0.608 52.610 52.037 -0.059 0.000 0.782 286 A CB -0.499 18.480 19.000 -0.035 0.000 0.816 286 A HN 0.855 nan 8.150 nan 0.000 0.477 287 S N 1.169 116.850 115.700 -0.031 0.000 2.702 287 S HA -0.043 4.429 4.470 0.003 0.000 0.314 287 S C 0.789 175.359 174.600 -0.049 0.000 1.244 287 S CA 0.259 58.452 58.200 -0.011 0.000 1.058 287 S CB 0.409 63.626 63.200 0.029 0.000 0.783 287 S HN 0.608 nan 8.310 nan 0.000 0.503 288 E N 1.853 122.044 120.200 -0.015 0.000 2.347 288 E HA -0.078 4.274 4.350 0.003 0.000 0.196 288 E C 0.012 176.585 176.600 -0.045 0.000 1.008 288 E CA 0.750 57.133 56.400 -0.030 0.000 0.852 288 E CB 0.213 29.928 29.700 0.025 0.000 0.783 288 E HN 0.665 nan 8.360 nan 0.000 0.505 289 E N 1.250 121.457 120.200 0.012 0.000 2.331 289 E HA 0.181 4.533 4.350 0.003 0.000 0.243 289 E C -0.950 175.634 176.600 -0.027 0.000 0.925 289 E CA -0.372 56.046 56.400 0.031 0.000 0.760 289 E CB 1.014 30.973 29.700 0.432 0.000 1.254 289 E HN 0.023 nan 8.360 nan 0.000 0.419 290 K N 1.493 121.644 120.400 -0.414 0.000 2.502 290 K HA 0.553 4.875 4.320 0.003 0.000 0.257 290 K C -1.234 175.344 176.600 -0.036 0.000 0.938 290 K CA -0.977 55.308 56.287 -0.004 0.000 0.819 290 K CB 2.226 34.741 32.500 0.025 0.000 1.333 290 K HN 0.204 nan 8.250 nan 0.000 0.434 291 W N 2.421 124.060 121.300 0.564 0.000 3.033 291 W HA 0.508 5.165 4.660 -0.005 0.000 0.336 291 W C -1.344 175.191 176.519 0.027 0.000 1.173 291 W CA -1.070 56.506 57.345 0.384 0.000 1.185 291 W CB 2.250 31.894 29.460 0.305 0.000 1.425 291 W HN 0.495 nan 8.180 nan 0.000 0.536 292 L N 2.846 123.977 121.223 -0.154 0.000 2.386 292 L HA 0.540 4.882 4.340 0.003 0.000 0.271 292 L C -1.838 174.903 176.870 -0.215 0.000 0.993 292 L CA -0.741 53.783 54.840 -0.528 0.000 0.819 292 L CB 1.766 42.984 42.059 -1.403 0.000 1.294 292 L HN 0.277 nan 8.230 nan 0.000 0.414 293 Y N 4.965 125.027 120.300 -0.397 0.000 2.350 293 Y HA 0.764 5.311 4.550 -0.005 0.000 0.338 293 Y C -1.470 174.163 175.900 -0.445 0.000 0.961 293 Y CA -0.895 57.025 58.100 -0.301 0.000 1.100 293 Y CB 1.708 40.010 38.460 -0.264 0.000 1.179 293 Y HN 0.403 nan 8.280 nan 0.000 0.454 294 V N 7.021 126.424 119.914 -0.851 0.000 2.487 294 V HA 0.453 4.575 4.120 0.003 0.000 0.298 294 V C -0.886 174.663 176.094 -0.909 0.000 1.028 294 V CA -0.661 61.032 62.300 -1.012 0.000 0.860 294 V CB 1.222 32.416 31.823 -1.048 0.000 0.991 294 V HN 0.928 nan 8.190 nan 0.000 0.427 295 H N 1.115 119.672 119.070 -0.855 0.000 2.894 295 H HA 0.808 5.363 4.556 -0.001 0.000 0.368 295 H C 0.256 175.345 175.328 -0.399 0.000 1.181 295 H CA -0.587 55.177 56.048 -0.474 0.000 1.146 295 H CB 2.171 31.828 29.762 -0.176 0.000 1.839 295 H HN 0.632 nan 8.280 nan 0.000 0.557 296 G N 1.210 110.031 108.800 0.036 0.000 4.098 296 G HA2 0.260 4.222 3.960 0.003 0.000 0.300 296 G HA3 0.260 4.222 3.960 0.003 0.000 0.300 296 G C -0.183 174.755 174.900 0.063 0.000 1.187 296 G CA -0.520 44.669 45.100 0.148 0.000 0.964 296 G HN 0.350 nan 8.290 nan 0.000 0.559 297 R N -0.020 120.622 120.500 0.237 0.000 3.173 297 R HA 0.543 4.885 4.340 0.003 0.000 0.225 297 R C -0.238 176.202 176.300 0.234 0.000 1.587 297 R CA -0.840 55.229 56.100 -0.051 0.000 1.033 297 R CB 0.360 30.441 30.300 -0.365 0.000 1.804 297 R HN 0.032 nan 8.270 nan 0.000 0.526 298 K N 1.185 121.741 120.400 0.260 0.000 2.118 298 K HA 0.095 4.417 4.320 0.003 0.000 0.264 298 K C 1.118 177.893 176.600 0.291 0.000 1.000 298 K CA -0.191 56.249 56.287 0.254 0.000 0.929 298 K CB 1.252 33.983 32.500 0.386 0.000 1.021 298 K HN 0.531 nan 8.250 nan 0.000 0.463 299 E N 2.261 122.604 120.200 0.239 0.000 1.999 299 E HA -0.157 4.195 4.350 0.003 0.000 0.194 299 E C 0.999 177.693 176.600 0.156 0.000 0.995 299 E CA 1.276 57.752 56.400 0.126 0.000 0.825 299 E CB 0.080 29.638 29.700 -0.236 0.000 0.777 299 E HN 0.640 nan 8.360 nan 0.000 0.459 300 W N 1.288 122.807 121.300 0.365 0.000 2.436 300 W HA -0.080 4.583 4.660 0.005 0.000 0.284 300 W C 2.190 178.893 176.519 0.307 0.000 1.225 300 W CA 0.924 58.448 57.345 0.298 0.000 1.271 300 W CB -0.614 29.026 29.460 0.300 0.000 1.114 300 W HN 0.437 nan 8.180 nan 0.000 0.559 301 E N 0.709 121.189 120.200 0.467 0.000 2.070 301 E HA -0.198 4.154 4.350 0.003 0.000 0.197 301 E C 2.024 178.733 176.600 0.183 0.000 1.004 301 E CA 2.162 58.746 56.400 0.307 0.000 0.805 301 E CB -0.120 29.744 29.700 0.274 0.000 0.744 301 E HN -0.028 nan 8.360 nan 0.000 0.451 302 S N -0.379 115.406 115.700 0.142 0.000 2.387 302 S HA -0.130 4.342 4.470 0.003 0.000 0.226 302 S C 1.536 176.130 174.600 -0.010 0.000 1.026 302 S CA 0.874 59.092 58.200 0.030 0.000 0.972 302 S CB -0.453 62.623 63.200 -0.206 0.000 0.814 302 S HN 0.434 nan 8.310 nan 0.000 0.477 303 Y N 1.241 121.389 120.300 -0.254 0.000 2.165 303 Y HA -0.197 4.354 4.550 0.002 0.000 0.286 303 Y C 1.535 176.948 175.900 -0.812 0.000 1.155 303 Y CA 1.395 58.919 58.100 -0.960 0.000 1.164 303 Y CB -0.388 37.465 38.460 -1.012 0.000 0.978 303 Y HN 0.250 nan 8.280 nan 0.000 0.513 304 Y N 0.030 120.144 120.300 -0.310 0.000 2.466 304 Y HA 0.425 4.978 4.550 0.003 0.000 0.272 304 Y C 1.324 177.011 175.900 -0.355 0.000 1.169 304 Y CA -0.268 57.609 58.100 -0.373 0.000 1.285 304 Y CB -0.794 37.598 38.460 -0.113 0.000 1.078 304 Y HN 0.106 nan 8.280 nan 0.000 0.523 305 A N 0.522 123.236 122.820 -0.177 0.000 2.511 305 A HA 0.111 4.433 4.320 0.003 0.000 0.242 305 A C 1.659 179.068 177.584 -0.290 0.000 1.069 305 A CA -0.311 51.622 52.037 -0.173 0.000 0.763 305 A CB 0.333 19.257 19.000 -0.127 0.000 1.001 305 A HN 0.377 nan 8.150 nan 0.000 0.498 306 R N 1.295 121.641 120.500 -0.256 0.000 2.103 306 R HA -0.214 4.128 4.340 0.003 0.000 0.242 306 R C 1.946 178.069 176.300 -0.294 0.000 1.142 306 R CA 2.621 58.535 56.100 -0.310 0.000 0.960 306 R CB -0.574 29.593 30.300 -0.222 0.000 0.858 306 R HN 0.945 nan 8.270 nan 0.000 0.439 307 E N -0.808 119.256 120.200 -0.228 0.000 2.153 307 E HA -0.190 4.161 4.350 0.003 0.000 0.194 307 E C 1.169 177.611 176.600 -0.264 0.000 0.988 307 E CA 1.424 57.696 56.400 -0.213 0.000 0.811 307 E CB -0.318 29.268 29.700 -0.191 0.000 0.746 307 E HN 0.306 nan 8.360 nan 0.000 0.466 308 N N 0.710 119.215 118.700 -0.325 0.000 2.376 308 N HA 0.024 4.766 4.740 0.003 0.000 0.177 308 N C 1.953 177.164 175.510 -0.498 0.000 1.024 308 N CA 0.621 53.444 53.050 -0.378 0.000 0.893 308 N CB -0.034 38.239 38.487 -0.357 0.000 0.980 308 N HN 0.251 nan 8.380 nan 0.000 0.439 309 L N 1.198 122.043 121.223 -0.630 0.000 2.083 309 L HA -0.097 4.245 4.340 0.003 0.000 0.209 309 L C 2.070 178.655 176.870 -0.475 0.000 1.083 309 L CA 1.048 55.385 54.840 -0.838 0.000 0.752 309 L CB -0.250 40.919 42.059 -1.484 0.000 0.899 309 L HN 0.064 nan 8.230 nan 0.000 0.433 310 E N -0.061 119.963 120.200 -0.292 0.000 2.150 310 E HA -0.197 4.155 4.350 0.003 0.000 0.193 310 E C 2.149 178.740 176.600 -0.014 0.000 0.985 310 E CA 0.694 57.051 56.400 -0.071 0.000 0.814 310 E CB -0.154 29.515 29.700 -0.052 0.000 0.752 310 E HN 0.412 nan 8.360 nan 0.000 0.466 311 R N 1.145 121.605 120.500 -0.067 0.000 2.066 311 R HA -0.145 4.197 4.340 0.003 0.000 0.232 311 R C 2.197 178.520 176.300 0.039 0.000 1.131 311 R CA 1.447 57.571 56.100 0.039 0.000 0.955 311 R CB -0.022 30.250 30.300 -0.046 0.000 0.851 311 R HN 0.157 nan 8.270 nan 0.000 0.432 312 Q N 0.332 120.105 119.800 -0.046 0.000 2.112 312 Q HA -0.228 4.114 4.340 0.003 0.000 0.206 312 Q C 2.136 178.211 176.000 0.125 0.000 0.987 312 Q CA 2.122 57.901 55.803 -0.040 0.000 0.858 312 Q CB -0.133 28.595 28.738 -0.017 0.000 0.905 312 Q HN 0.294 nan 8.270 nan 0.000 0.420 313 K N 0.109 120.635 120.400 0.210 0.000 2.097 313 K HA -0.120 4.202 4.320 0.003 0.000 0.205 313 K C 2.302 179.072 176.600 0.284 0.000 1.050 313 K CA 1.314 57.793 56.287 0.320 0.000 0.938 313 K CB -0.130 32.449 32.500 0.132 0.000 0.718 313 K HN 0.047 nan 8.250 nan 0.000 0.442 314 S N -0.010 115.808 115.700 0.196 0.000 2.368 314 S HA -0.170 4.302 4.470 0.003 0.000 0.225 314 S C 1.728 176.382 174.600 0.090 0.000 1.030 314 S CA 1.077 59.414 58.200 0.228 0.000 0.999 314 S CB -0.459 62.944 63.200 0.338 0.000 0.844 314 S HN 0.469 nan 8.310 nan 0.000 0.459 315 F N 1.275 120.919 119.950 -0.510 0.000 2.102 315 F HA 0.035 4.565 4.527 0.005 0.000 0.298 315 F C 1.693 177.448 175.800 -0.075 0.000 1.105 315 F CA 1.404 58.785 58.000 -1.031 0.000 1.239 315 F CB -0.556 37.664 39.000 -1.300 0.000 0.991 315 F HN 0.247 nan 8.300 nan 0.000 0.474 316 F N 1.037 120.968 119.950 -0.031 0.000 2.259 316 F HA -0.099 4.431 4.527 0.006 0.000 0.298 316 F C 2.303 178.209 175.800 0.176 0.000 1.088 316 F CA 1.065 59.091 58.000 0.044 0.000 1.358 316 F CB -1.264 37.837 39.000 0.168 0.000 1.040 316 F HN 0.025 nan 8.300 nan 0.000 0.505 317 D N -0.572 120.078 120.400 0.416 0.000 2.144 317 D HA -0.202 4.440 4.640 0.003 0.000 0.199 317 D C 2.200 178.570 176.300 0.116 0.000 0.984 317 D CA 0.909 55.079 54.000 0.284 0.000 0.834 317 D CB -0.637 40.317 40.800 0.256 0.000 0.955 317 D HN 0.226 nan 8.370 nan 0.000 0.465 318 F N -0.061 119.828 119.950 -0.101 0.000 2.084 318 F HA -0.221 4.311 4.527 0.007 0.000 0.296 318 F C 1.940 177.487 175.800 -0.421 0.000 1.111 318 F CA 1.395 59.216 58.000 -0.298 0.000 1.224 318 F CB -0.146 38.582 39.000 -0.454 0.000 0.991 318 F HN -0.076 nan 8.300 nan 0.000 0.471 319 Y N -0.394 119.912 120.300 0.009 0.000 2.347 319 Y HA 0.064 4.615 4.550 0.001 0.000 0.294 319 Y C 2.037 177.864 175.900 -0.123 0.000 1.117 319 Y CA 0.974 59.021 58.100 -0.088 0.000 1.184 319 Y CB -0.315 38.010 38.460 -0.225 0.000 1.047 319 Y HN -0.002 nan 8.280 nan 0.000 0.546 320 L N -0.892 120.338 121.223 0.012 0.000 2.357 320 L HA 0.039 4.381 4.340 0.003 0.000 0.211 320 L C 1.731 178.562 176.870 -0.065 0.000 1.075 320 L CA 0.753 55.566 54.840 -0.044 0.000 0.830 320 L CB -0.168 41.844 42.059 -0.080 0.000 0.996 320 L HN -0.016 nan 8.230 nan 0.000 0.467 321 K N 0.367 120.732 120.400 -0.057 0.000 2.379 321 K HA 0.060 4.382 4.320 0.003 0.000 0.194 321 K C -0.171 176.349 176.600 -0.133 0.000 1.031 321 K CA 0.024 56.249 56.287 -0.104 0.000 1.037 321 K CB 0.388 32.837 32.500 -0.085 0.000 0.824 321 K HN 0.156 nan 8.250 nan 0.000 0.516 322 E N 1.444 121.531 120.200 -0.188 0.000 2.476 322 E HA -0.227 4.125 4.350 0.003 0.000 0.251 322 E C -0.441 175.987 176.600 -0.287 0.000 1.130 322 E CA 0.399 56.626 56.400 -0.289 0.000 0.736 322 E CB -1.322 28.256 29.700 -0.204 0.000 1.298 322 E HN 0.407 nan 8.360 nan 0.000 0.400 323 E N 0.971 121.024 120.200 -0.246 0.000 2.283 323 E HA 0.129 4.481 4.350 0.003 0.000 0.278 323 E C -0.123 176.377 176.600 -0.167 0.000 1.027 323 E CA -0.603 55.712 56.400 -0.142 0.000 0.843 323 E CB 0.619 30.299 29.700 -0.033 0.000 1.062 323 E HN 0.055 nan 8.360 nan 0.000 0.401 324 N N 4.385 123.040 118.700 -0.076 0.000 3.050 324 N HA 0.022 4.764 4.740 0.003 0.000 0.289 324 N C -0.609 174.986 175.510 0.141 0.000 1.209 324 N CA -0.099 52.961 53.050 0.018 0.000 1.154 324 N CB -0.278 38.218 38.487 0.014 0.000 1.444 324 N HN 0.489 nan 8.380 nan 0.000 0.529 325 N N -0.373 118.481 118.700 0.257 0.000 2.593 325 N HA 0.187 4.929 4.740 0.003 0.000 0.304 325 N C -0.127 175.532 175.510 0.249 0.000 1.296 325 N CA -0.281 52.908 53.050 0.232 0.000 0.950 325 N CB 0.666 39.290 38.487 0.228 0.000 1.127 325 N HN -0.073 nan 8.380 nan 0.000 0.587 326 D N -0.956 119.540 120.400 0.160 0.000 2.587 326 D HA 0.014 4.656 4.640 0.003 0.000 0.233 326 D C 0.625 176.906 176.300 -0.032 0.000 1.213 326 D CA -0.243 53.799 54.000 0.070 0.000 0.827 326 D CB -0.284 40.533 40.800 0.029 0.000 1.006 326 D HN 0.526 nan 8.370 nan 0.000 0.490 327 W N 2.307 123.503 121.300 -0.174 0.000 2.321 327 W HA -0.203 4.464 4.660 0.012 0.000 0.306 327 W C 1.029 177.284 176.519 -0.440 0.000 1.217 327 W CA 0.905 58.033 57.345 -0.360 0.000 1.257 327 W CB 0.115 29.261 29.460 -0.524 0.000 1.145 327 W HN -0.050 nan 8.180 nan 0.000 0.509 328 K N 0.204 120.273 120.400 -0.552 0.000 2.555 328 K HA -0.117 4.205 4.320 0.003 0.000 0.193 328 K C 1.062 177.544 176.600 -0.197 0.000 1.032 328 K CA 0.999 57.104 56.287 -0.303 0.000 1.004 328 K CB -0.241 32.242 32.500 -0.028 0.000 0.804 328 K HN 0.021 nan 8.250 nan 0.000 0.496 329 D N 0.902 121.148 120.400 -0.258 0.000 2.310 329 D HA -0.061 4.580 4.640 0.003 0.000 0.212 329 D C 0.173 176.316 176.300 -0.262 0.000 0.965 329 D CA 0.768 54.657 54.000 -0.184 0.000 0.879 329 D CB -0.155 40.561 40.800 -0.141 0.000 0.921 329 D HN 0.034 nan 8.370 nan 0.000 0.510 330 T N 3.178 117.421 114.554 -0.519 0.000 2.871 330 T HA 0.125 4.477 4.350 0.003 0.000 0.296 330 T C -2.333 172.242 174.700 -0.209 0.000 0.998 330 T CA -1.010 60.766 62.100 -0.540 0.000 1.162 330 T CB 0.957 69.058 68.868 -1.279 0.000 0.947 330 T HN -0.028 nan 8.240 nan 0.000 0.536 331 P HA 0.048 nan 4.420 nan 0.000 0.266 331 P C 0.952 178.284 177.300 0.053 0.000 1.195 331 P CA -0.210 62.871 63.100 -0.032 0.000 0.768 331 P CB 0.413 32.133 31.700 0.032 0.000 0.838 332 H N 0.169 119.354 119.070 0.193 0.000 2.489 332 H HA 0.022 4.581 4.556 0.005 0.000 0.293 332 H C 0.395 175.812 175.328 0.148 0.000 1.066 332 H CA 1.071 57.190 56.048 0.118 0.000 1.305 332 H CB 0.170 29.942 29.762 0.016 0.000 1.386 332 H HN 0.101 nan 8.280 nan 0.000 0.551 333 V N 1.639 121.691 119.914 0.230 0.000 2.577 333 V HA 0.307 4.428 4.120 0.003 0.000 0.303 333 V C -0.144 176.090 176.094 0.234 0.000 1.042 333 V CA -0.588 61.808 62.300 0.160 0.000 0.872 333 V CB 2.817 34.767 31.823 0.210 0.000 0.998 333 V HN -0.008 nan 8.190 nan 0.000 0.423 334 I N 5.768 126.458 120.570 0.200 0.000 2.436 334 I HA 0.612 4.784 4.170 0.003 0.000 0.289 334 I C -1.139 175.100 176.117 0.203 0.000 1.010 334 I CA -0.691 60.739 61.300 0.215 0.000 1.098 334 I CB 1.793 39.948 38.000 0.258 0.000 1.266 334 I HN 0.803 nan 8.210 nan 0.000 0.434 335 Y N 2.699 123.060 120.300 0.102 0.000 2.534 335 Y HA 0.570 5.147 4.550 0.045 0.000 0.345 335 Y C -0.742 175.099 175.900 -0.099 0.000 1.031 335 Y CA -1.248 56.845 58.100 -0.013 0.000 1.022 335 Y CB 0.985 39.508 38.460 0.106 0.000 1.292 335 Y HN 0.501 nan 8.280 nan 0.000 0.459 336 E N 2.057 122.091 120.200 -0.277 0.000 2.289 336 E HA 0.437 4.789 4.350 0.003 0.000 0.278 336 E C -1.312 175.279 176.600 -0.014 0.000 1.032 336 E CA -0.735 55.272 56.400 -0.656 0.000 0.854 336 E CB 1.175 30.351 29.700 -0.874 0.000 1.046 336 E HN 0.658 nan 8.360 nan 0.000 0.409 337 V N 6.401 126.215 119.914 -0.167 0.000 2.353 337 V HA 0.228 4.350 4.120 0.003 0.000 0.264 337 V C 0.291 176.275 176.094 -0.183 0.000 1.049 337 V CA -0.371 61.868 62.300 -0.102 0.000 0.896 337 V CB 0.544 32.331 31.823 -0.059 0.000 1.025 337 V HN 0.666 nan 8.190 nan 0.000 0.475 338 R N 2.767 123.115 120.500 -0.254 0.000 2.438 338 R HA 0.199 4.541 4.340 0.003 0.000 0.287 338 R C 0.494 176.728 176.300 -0.109 0.000 1.077 338 R CA -0.314 55.667 56.100 -0.198 0.000 1.034 338 R CB 0.927 30.980 30.300 -0.412 0.000 0.993 338 R HN 0.719 nan 8.270 nan 0.000 0.459 339 D N 0.823 121.260 120.400 0.062 0.000 2.725 339 D HA 0.017 4.659 4.640 0.003 0.000 0.269 339 D C -0.033 176.400 176.300 0.222 0.000 1.018 339 D CA 1.156 55.205 54.000 0.082 0.000 0.956 339 D CB 0.827 41.640 40.800 0.022 0.000 1.141 339 D HN 0.368 nan 8.370 nan 0.000 0.478 340 Q N -0.835 119.087 119.800 0.204 0.000 2.882 340 Q HA 0.203 4.545 4.340 0.003 0.000 0.315 340 Q C -0.981 175.115 176.000 0.160 0.000 1.004 340 Q CA -1.048 54.779 55.803 0.040 0.000 0.777 340 Q CB 0.951 29.697 28.738 0.014 0.000 1.506 340 Q HN 0.184 nan 8.270 nan 0.000 0.489 341 F N 1.400 121.314 119.950 -0.060 0.000 2.590 341 F HA -0.042 4.489 4.527 0.007 0.000 0.389 341 F C -0.057 175.925 175.800 0.303 0.000 1.049 341 F CA 0.570 58.655 58.000 0.141 0.000 1.199 341 F CB -0.081 38.948 39.000 0.049 0.000 1.058 341 F HN 0.537 nan 8.300 nan 0.000 0.556 342 Y N 2.733 122.776 120.300 -0.428 0.000 3.825 342 Y HA -0.296 4.260 4.550 0.009 0.000 0.221 342 Y C 0.246 176.131 175.900 -0.024 0.000 1.195 342 Y CA 1.258 59.205 58.100 -0.255 0.000 1.699 342 Y CB -1.270 36.991 38.460 -0.331 0.000 1.531 342 Y HN 0.613 nan 8.280 nan 0.000 0.640 343 K N 0.273 120.721 120.400 0.079 0.000 2.601 343 K HA 0.656 4.978 4.320 0.003 0.000 0.249 343 K C 0.036 176.661 176.600 0.041 0.000 0.966 343 K CA 0.112 56.446 56.287 0.079 0.000 0.827 343 K CB 1.273 33.832 32.500 0.098 0.000 1.178 343 K HN 0.252 nan 8.250 nan 0.000 0.437 344 G N 2.048 110.851 108.800 0.006 0.000 2.488 344 G HA2 0.238 4.200 3.960 0.003 0.000 0.301 344 G HA3 0.238 4.200 3.960 0.003 0.000 0.301 344 G C -1.925 172.940 174.900 -0.059 0.000 1.339 344 G CA -0.607 44.457 45.100 -0.061 0.000 0.803 344 G HN 0.494 nan 8.290 nan 0.000 0.482 345 E N -0.486 119.635 120.200 -0.131 0.000 2.248 345 E HA 0.619 4.971 4.350 0.003 0.000 0.267 345 E C -1.440 175.039 176.600 -0.201 0.000 0.877 345 E CA -0.735 55.628 56.400 -0.063 0.000 0.759 345 E CB 1.634 31.308 29.700 -0.043 0.000 1.182 345 E HN 0.218 nan 8.360 nan 0.000 0.418 346 F N 3.099 122.997 119.950 -0.087 0.000 2.404 346 F HA 0.412 4.921 4.527 -0.029 0.000 0.345 346 F C 0.690 176.350 175.800 -0.234 0.000 1.110 346 F CA -0.178 57.731 58.000 -0.151 0.000 1.130 346 F CB 1.234 40.191 39.000 -0.072 0.000 1.129 346 F HN 0.248 nan 8.300 nan 0.000 0.500 347 K N 0.986 121.171 120.400 -0.358 0.000 2.378 347 K HA 0.756 5.078 4.320 0.003 0.000 0.244 347 K C -1.009 175.335 176.600 -0.427 0.000 1.039 347 K CA -1.081 54.946 56.287 -0.433 0.000 0.863 347 K CB 2.246 34.415 32.500 -0.551 0.000 1.326 347 K HN 0.616 nan 8.250 nan 0.000 0.460 348 S N -0.605 115.025 115.700 -0.118 0.000 2.595 348 S HA 0.890 5.361 4.470 0.003 0.000 0.281 348 S C -1.184 173.580 174.600 0.274 0.000 1.117 348 S CA -0.858 57.406 58.200 0.108 0.000 0.873 348 S CB 2.101 65.345 63.200 0.074 0.000 1.108 348 S HN 0.745 nan 8.310 nan 0.000 0.477 349 A N 0.736 123.747 122.820 0.318 0.000 2.583 349 A HA 0.813 5.134 4.320 0.003 0.000 0.289 349 A C 0.512 178.233 177.584 0.228 0.000 1.151 349 A CA -0.177 52.018 52.037 0.263 0.000 0.695 349 A CB 0.779 19.948 19.000 0.281 0.000 1.290 349 A HN 1.632 nan 8.150 nan 0.000 0.419 350 S N -0.801 115.017 115.700 0.196 0.000 2.524 350 S HA 0.554 5.026 4.470 0.003 0.000 0.216 350 S C 0.589 175.326 174.600 0.227 0.000 0.987 350 S CA 0.855 59.185 58.200 0.217 0.000 0.909 350 S CB -0.093 63.198 63.200 0.152 0.000 0.781 350 S HN 2.265 nan 8.310 nan 0.000 0.521 351 A N 0.431 123.385 122.820 0.223 0.000 2.612 351 A HA 0.709 5.031 4.320 0.003 0.000 0.293 351 A C -1.847 175.925 177.584 0.314 0.000 1.075 351 A CA -0.728 51.457 52.037 0.247 0.000 0.680 351 A CB 0.892 19.961 19.000 0.115 0.000 1.279 351 A HN 0.437 nan 8.150 nan 0.000 0.411 352 F N 1.824 121.955 119.950 0.302 0.000 2.529 352 F HA 0.702 5.227 4.527 -0.003 0.000 0.320 352 F C -2.367 173.564 175.800 0.219 0.000 1.118 352 F CA -1.918 56.229 58.000 0.245 0.000 0.915 352 F CB 1.982 41.162 39.000 0.300 0.000 1.161 352 F HN 0.405 nan 8.300 nan 0.000 0.445 353 P HA 0.049 nan 4.420 nan 0.000 0.266 353 P C -0.885 176.169 177.300 -0.409 0.000 1.193 353 P CA -0.240 62.236 63.100 -1.040 0.000 0.770 353 P CB 0.401 31.783 31.700 -0.530 0.000 0.836 354 L N 5.364 126.371 121.223 -0.359 0.000 2.559 354 L HA 0.001 4.343 4.340 0.003 0.000 0.274 354 L C -0.972 175.824 176.870 -0.123 0.000 1.205 354 L CA -0.279 54.471 54.840 -0.150 0.000 0.907 354 L CB -0.568 41.391 42.059 -0.165 0.000 1.153 354 L HN 0.434 nan 8.230 nan 0.000 0.490 355 P HA -0.102 nan 4.420 nan 0.000 0.223 355 P C 0.484 177.742 177.300 -0.069 0.000 1.151 355 P CA 0.911 63.983 63.100 -0.046 0.000 0.787 355 P CB 0.033 31.729 31.700 -0.006 0.000 0.788 356 N N -0.266 118.389 118.700 -0.075 0.000 2.313 356 N HA 0.120 4.862 4.740 0.003 0.000 0.207 356 N C 0.200 175.606 175.510 -0.174 0.000 1.141 356 N CA -0.329 52.665 53.050 -0.092 0.000 0.830 356 N CB -0.488 37.970 38.487 -0.048 0.000 1.008 356 N HN -0.076 nan 8.380 nan 0.000 0.481 357 A N 0.666 123.320 122.820 -0.278 0.000 2.440 357 A HA 0.229 4.551 4.320 0.003 0.000 0.251 357 A C -0.026 177.208 177.584 -0.584 0.000 1.089 357 A CA -0.271 51.475 52.037 -0.484 0.000 0.779 357 A CB 0.235 18.812 19.000 -0.706 0.000 1.022 357 A HN 0.373 nan 8.150 nan 0.000 0.492 358 E N 1.912 121.821 120.200 -0.484 0.000 2.102 358 E HA 0.264 4.616 4.350 0.003 0.000 0.263 358 E C -1.636 174.756 176.600 -0.346 0.000 0.894 358 E CA -0.250 55.945 56.400 -0.342 0.000 0.746 358 E CB 0.948 30.549 29.700 -0.166 0.000 1.129 358 E HN 0.623 nan 8.360 nan 0.000 0.416 359 Y N 1.623 121.876 120.300 -0.077 0.000 2.531 359 Y HA 0.119 4.673 4.550 0.007 0.000 0.347 359 Y C 0.553 176.399 175.900 -0.090 0.000 1.024 359 Y CA -0.041 58.003 58.100 -0.093 0.000 1.306 359 Y CB 0.778 39.181 38.460 -0.095 0.000 1.149 359 Y HN 0.194 nan 8.280 nan 0.000 0.527 360 T N 6.736 121.297 114.554 0.011 0.000 2.812 360 T HA 0.358 4.709 4.350 0.003 0.000 0.282 360 T C -2.803 171.822 174.700 -0.125 0.000 0.990 360 T CA -1.816 60.254 62.100 -0.050 0.000 0.960 360 T CB 1.664 70.495 68.868 -0.062 0.000 0.948 360 T HN 0.233 nan 8.240 nan 0.000 0.438 361 P HA 0.448 nan 4.420 nan 0.000 0.284 361 P C -1.040 175.975 177.300 -0.476 0.000 1.253 361 P CA -0.595 62.277 63.100 -0.380 0.000 0.800 361 P CB 0.935 32.320 31.700 -0.525 0.000 0.961 362 L N 3.917 124.835 121.223 -0.509 0.000 2.319 362 L HA 0.395 4.737 4.340 0.003 0.000 0.281 362 L C -0.212 176.393 176.870 -0.442 0.000 1.005 362 L CA -0.976 53.584 54.840 -0.467 0.000 0.828 362 L CB 0.837 42.632 42.059 -0.441 0.000 1.227 362 L HN 0.324 nan 8.230 nan 0.000 0.415 363 Y N 3.288 123.527 120.300 -0.101 0.000 2.335 363 Y HA 0.288 4.841 4.550 0.004 0.000 0.331 363 Y C 0.124 175.978 175.900 -0.076 0.000 1.094 363 Y CA -0.547 57.514 58.100 -0.065 0.000 1.253 363 Y CB 0.811 39.257 38.460 -0.023 0.000 1.203 363 Y HN 0.330 nan 8.280 nan 0.000 0.508 364 L N 3.702 124.924 121.223 -0.001 0.000 2.371 364 L HA 0.215 4.557 4.340 0.003 0.000 0.272 364 L C 0.044 176.930 176.870 0.027 0.000 1.124 364 L CA -0.023 54.722 54.840 -0.158 0.000 0.816 364 L CB 0.305 42.021 42.059 -0.571 0.000 1.129 364 L HN 0.604 nan 8.230 nan 0.000 0.448 365 N N 1.252 120.046 118.700 0.156 0.000 2.483 365 N HA 0.392 5.134 4.740 0.003 0.000 0.267 365 N C 0.335 176.028 175.510 0.305 0.000 0.998 365 N CA -0.106 53.049 53.050 0.175 0.000 0.918 365 N CB 1.847 40.394 38.487 0.099 0.000 1.215 365 N HN 0.637 nan 8.380 nan 0.000 0.500 366 A N 3.333 126.326 122.820 0.288 0.000 2.067 366 A HA -0.070 4.252 4.320 0.003 0.000 0.219 366 A C 1.538 179.111 177.584 -0.018 0.000 1.158 366 A CA 1.166 53.386 52.037 0.305 0.000 0.661 366 A CB -0.182 18.966 19.000 0.247 0.000 0.801 366 A HN 0.814 nan 8.150 nan 0.000 0.452 367 E N -0.004 120.115 120.200 -0.135 0.000 2.158 367 E HA -0.135 4.217 4.350 0.003 0.000 0.191 367 E C 0.751 177.058 176.600 -0.489 0.000 0.982 367 E CA 1.187 57.423 56.400 -0.273 0.000 0.823 367 E CB -0.113 29.411 29.700 -0.293 0.000 0.766 367 E HN 0.842 nan 8.360 nan 0.000 0.468 368 N N -1.045 117.350 118.700 -0.508 0.000 2.184 368 N HA -0.058 4.684 4.740 0.003 0.000 0.234 368 N C -0.666 174.626 175.510 -0.363 0.000 1.282 368 N CA -0.144 52.636 53.050 -0.451 0.000 0.877 368 N CB -0.032 38.350 38.487 -0.174 0.000 1.184 368 N HN -0.012 nan 8.380 nan 0.000 0.510 369 H N -0.291 118.768 119.070 -0.018 0.000 2.756 369 H HA -0.125 4.433 4.556 0.003 0.000 0.315 369 H C -0.568 174.778 175.328 0.030 0.000 1.210 369 H CA 1.295 57.250 56.048 -0.155 0.000 1.150 369 H CB -2.598 27.014 29.762 -0.251 0.000 1.463 369 H HN 0.669 nan 8.280 nan 0.000 0.427 370 T N -1.769 112.926 114.554 0.234 0.000 2.908 370 T HA 0.772 5.124 4.350 0.003 0.000 0.290 370 T C 0.401 175.259 174.700 0.263 0.000 1.034 370 T CA -1.139 61.083 62.100 0.203 0.000 1.010 370 T CB 2.816 71.744 68.868 0.099 0.000 1.068 370 T HN 0.193 nan 8.240 nan 0.000 0.481 371 L N 2.293 123.621 121.223 0.174 0.000 2.325 371 L HA 0.610 4.952 4.340 0.003 0.000 0.278 371 L C 0.014 176.917 176.870 0.055 0.000 1.023 371 L CA -0.966 53.919 54.840 0.075 0.000 0.811 371 L CB 1.420 43.486 42.059 0.011 0.000 1.249 371 L HN 0.718 nan 8.230 nan 0.000 0.431 372 N N 0.358 119.053 118.700 -0.008 0.000 2.235 372 N HA 0.261 5.003 4.740 0.003 0.000 0.293 372 N C 0.148 175.646 175.510 -0.020 0.000 1.083 372 N CA -0.768 52.294 53.050 0.021 0.000 0.801 372 N CB 1.938 40.494 38.487 0.115 0.000 1.559 372 N HN 0.585 nan 8.380 nan 0.000 0.472 373 H N 0.694 119.812 119.070 0.080 0.000 2.352 373 H HA -0.041 4.516 4.556 0.002 0.000 0.299 373 H C 0.758 176.202 175.328 0.193 0.000 1.097 373 H CA 1.127 57.220 56.048 0.075 0.000 1.311 373 H CB 0.248 30.050 29.762 0.067 0.000 1.377 373 H HN 0.586 nan 8.280 nan 0.000 0.504 374 A N 1.355 124.340 122.820 0.276 0.000 2.282 374 A HA 0.338 4.660 4.320 0.003 0.000 0.319 374 A C 0.276 177.832 177.584 -0.047 0.000 1.121 374 A CA -0.627 51.480 52.037 0.117 0.000 0.836 374 A CB 1.077 20.112 19.000 0.058 0.000 1.146 374 A HN 0.150 nan 8.150 nan 0.000 0.494 375 K N 0.718 120.859 120.400 -0.431 0.000 2.319 375 K HA 0.210 4.532 4.320 0.003 0.000 0.265 375 K C -0.544 175.901 176.600 -0.259 0.000 1.000 375 K CA -0.016 55.840 56.287 -0.718 0.000 0.943 375 K CB 0.344 32.434 32.500 -0.684 0.000 0.950 375 K HN 0.446 nan 8.250 nan 0.000 0.485 376 I N 2.502 122.972 120.570 -0.165 0.000 2.315 376 I HA -0.033 4.139 4.170 0.003 0.000 0.291 376 I C 1.639 177.729 176.117 -0.044 0.000 1.006 376 I CA 0.192 61.468 61.300 -0.041 0.000 1.265 376 I CB 1.136 39.160 38.000 0.039 0.000 1.387 376 I HN 0.737 nan 8.210 nan 0.000 0.475 377 S N 3.855 119.539 115.700 -0.028 0.000 2.414 377 S HA -0.014 4.458 4.470 0.003 0.000 0.227 377 S C 0.807 175.394 174.600 -0.021 0.000 1.022 377 S CA 0.110 58.286 58.200 -0.040 0.000 0.958 377 S CB -0.060 63.121 63.200 -0.031 0.000 0.797 377 S HN 0.715 nan 8.310 nan 0.000 0.493 378 S N 0.789 116.516 115.700 0.045 0.000 2.500 378 S HA 0.801 5.272 4.470 0.003 0.000 0.301 378 S C -0.407 174.246 174.600 0.090 0.000 1.092 378 S CA -0.560 57.668 58.200 0.047 0.000 1.030 378 S CB 1.574 64.820 63.200 0.078 0.000 1.031 378 S HN 0.629 nan 8.310 nan 0.000 0.483 379 A N 2.825 125.617 122.820 -0.047 0.000 2.451 379 A HA 0.559 4.880 4.320 0.003 0.000 0.266 379 A C -0.299 177.150 177.584 -0.225 0.000 1.119 379 A CA 0.098 52.164 52.037 0.048 0.000 0.786 379 A CB -0.560 18.518 19.000 0.132 0.000 1.061 379 A HN 0.958 nan 8.150 nan 0.000 0.503 380 H N -0.296 118.872 119.070 0.163 0.000 2.946 380 H HA 0.683 5.241 4.556 0.003 0.000 0.365 380 H C -0.870 174.495 175.328 0.062 0.000 1.197 380 H CA -0.594 55.515 56.048 0.101 0.000 1.131 380 H CB 2.003 31.802 29.762 0.061 0.000 1.849 380 H HN 0.550 nan 8.280 nan 0.000 0.555 381 V N 0.849 120.823 119.914 0.100 0.000 2.656 381 V HA 0.850 4.972 4.120 0.003 0.000 0.307 381 V C -0.936 175.122 176.094 -0.061 0.000 1.051 381 V CA -0.278 61.928 62.300 -0.156 0.000 0.893 381 V CB 1.212 32.798 31.823 -0.394 0.000 0.999 381 V HN 0.979 nan 8.190 nan 0.000 0.426 382 A N 5.213 127.999 122.820 -0.057 0.000 2.346 382 A HA 0.946 5.268 4.320 0.003 0.000 0.313 382 A C -0.790 176.785 177.584 -0.014 0.000 1.140 382 A CA -0.691 51.373 52.037 0.047 0.000 0.826 382 A CB 2.039 21.156 19.000 0.195 0.000 1.332 382 A HN 0.864 nan 8.150 nan 0.000 0.457 383 Q N -0.685 119.139 119.800 0.040 0.000 2.353 383 Q HA 0.581 4.923 4.340 0.003 0.000 0.275 383 Q C -2.260 173.772 176.000 0.054 0.000 1.029 383 Q CA -0.622 55.158 55.803 -0.038 0.000 0.848 383 Q CB 2.162 30.872 28.738 -0.045 0.000 1.390 383 Q HN 0.908 nan 8.270 nan 0.000 0.401 384 Y N -0.762 119.553 120.300 0.025 0.000 2.571 384 Y HA 0.508 5.060 4.550 0.004 0.000 0.341 384 Y C -1.124 174.757 175.900 -0.031 0.000 1.076 384 Y CA -1.454 56.640 58.100 -0.010 0.000 1.029 384 Y CB 1.098 39.549 38.460 -0.015 0.000 1.308 384 Y HN 0.473 nan 8.280 nan 0.000 0.461 385 D N 1.569 122.039 120.400 0.117 0.000 2.338 385 D HA 0.081 4.723 4.640 0.003 0.000 0.255 385 D C 1.096 177.438 176.300 0.070 0.000 1.237 385 D CA 0.647 54.663 54.000 0.027 0.000 0.883 385 D CB 1.351 42.164 40.800 0.022 0.000 1.087 385 D HN 0.744 nan 8.370 nan 0.000 0.485 386 S N 2.917 118.549 115.700 -0.114 0.000 2.442 386 S HA -0.149 4.323 4.470 0.003 0.000 0.236 386 S C 1.112 175.670 174.600 -0.070 0.000 1.007 386 S CA 0.777 58.861 58.200 -0.192 0.000 0.965 386 S CB -0.154 62.548 63.200 -0.830 0.000 0.773 386 S HN 0.628 nan 8.310 nan 0.000 0.504 387 E N 0.760 120.937 120.200 -0.039 0.000 2.472 387 E HA 0.125 4.477 4.350 0.003 0.000 0.196 387 E C -0.317 176.274 176.600 -0.015 0.000 1.033 387 E CA -0.011 56.379 56.400 -0.016 0.000 0.886 387 E CB 0.141 29.840 29.700 -0.002 0.000 0.944 387 E HN 0.421 nan 8.360 nan 0.000 0.492 388 D N 1.456 121.850 120.400 -0.011 0.000 2.396 388 D HA 0.059 4.701 4.640 0.003 0.000 0.225 388 D C 0.417 176.697 176.300 -0.034 0.000 1.121 388 D CA -0.131 53.860 54.000 -0.014 0.000 0.853 388 D CB 0.829 41.627 40.800 -0.003 0.000 1.043 388 D HN -0.139 nan 8.370 nan 0.000 0.500 389 K N 1.979 122.352 120.400 -0.045 0.000 2.519 389 K HA -0.095 4.227 4.320 0.003 0.000 0.196 389 K C 0.962 177.522 176.600 -0.067 0.000 1.041 389 K CA 0.697 56.944 56.287 -0.067 0.000 0.954 389 K CB 0.383 32.849 32.500 -0.057 0.000 0.774 389 K HN 0.401 nan 8.250 nan 0.000 0.480 390 Q N 0.191 119.960 119.800 -0.053 0.000 2.282 390 Q HA 0.115 4.457 4.340 0.003 0.000 0.206 390 Q C 0.003 175.965 176.000 -0.063 0.000 0.878 390 Q CA 0.437 56.208 55.803 -0.054 0.000 0.944 390 Q CB 0.745 29.460 28.738 -0.039 0.000 1.100 390 Q HN 0.368 nan 8.270 nan 0.000 0.509 391 Q N 1.378 121.140 119.800 -0.064 0.000 2.309 391 Q HA 0.380 4.722 4.340 0.003 0.000 0.264 391 Q C -0.999 174.910 176.000 -0.151 0.000 1.008 391 Q CA -0.415 55.353 55.803 -0.059 0.000 0.853 391 Q CB 1.699 30.449 28.738 0.019 0.000 1.314 391 Q HN 0.096 nan 8.270 nan 0.000 0.448 392 D N -1.106 119.179 120.400 -0.191 0.000 2.665 392 D HA 0.465 5.107 4.640 0.003 0.000 0.287 392 D C -1.138 175.012 176.300 -0.251 0.000 1.266 392 D CA -0.711 53.065 54.000 -0.372 0.000 0.830 392 D CB 0.767 41.394 40.800 -0.289 0.000 1.356 392 D HN 0.279 nan 8.370 nan 0.000 0.437 393 V N -1.856 117.914 119.914 -0.240 0.000 2.715 393 V HA 0.958 5.079 4.120 0.003 0.000 0.310 393 V C -0.240 175.694 176.094 -0.267 0.000 1.054 393 V CA -0.237 61.956 62.300 -0.178 0.000 0.928 393 V CB 1.067 32.930 31.823 0.067 0.000 1.007 393 V HN 1.077 nan 8.190 nan 0.000 0.437 394 S N 2.725 118.092 115.700 -0.555 0.000 2.588 394 S HA 0.915 5.387 4.470 0.003 0.000 0.275 394 S C -1.369 172.750 174.600 -0.800 0.000 1.130 394 S CA -0.648 57.282 58.200 -0.450 0.000 0.855 394 S CB 1.984 65.060 63.200 -0.206 0.000 1.116 394 S HN 0.822 nan 8.310 nan 0.000 0.472 395 F N 0.256 120.240 119.950 0.056 0.000 2.573 395 F HA 0.601 5.130 4.527 0.002 0.000 0.316 395 F C -0.056 175.770 175.800 0.042 0.000 1.148 395 F CA -0.615 57.427 58.000 0.070 0.000 0.940 395 F CB 2.392 41.428 39.000 0.060 0.000 1.214 395 F HN 0.543 nan 8.300 nan 0.000 0.448 396 K N 2.080 122.591 120.400 0.184 0.000 2.375 396 K HA 0.571 4.893 4.320 0.003 0.000 0.249 396 K C -1.992 174.661 176.600 0.088 0.000 0.942 396 K CA -1.183 55.166 56.287 0.104 0.000 0.806 396 K CB 3.042 35.571 32.500 0.049 0.000 1.227 396 K HN 0.630 nan 8.250 nan 0.000 0.430 397 Y N 0.603 120.820 120.300 -0.139 0.000 2.373 397 Y HA 0.277 4.828 4.550 0.001 0.000 0.336 397 Y C -1.125 174.558 175.900 -0.362 0.000 0.979 397 Y CA -0.451 57.472 58.100 -0.295 0.000 1.080 397 Y CB 1.956 40.139 38.460 -0.461 0.000 1.190 397 Y HN 0.485 nan 8.280 nan 0.000 0.446 398 T N 7.332 121.368 114.554 -0.864 0.000 2.767 398 T HA 0.379 4.731 4.350 0.003 0.000 0.288 398 T C -0.703 173.499 174.700 -0.831 0.000 0.963 398 T CA -0.196 61.566 62.100 -0.564 0.000 1.019 398 T CB -0.069 68.626 68.868 -0.289 0.000 0.923 398 T HN 0.373 nan 8.240 nan 0.000 0.468 399 F N 1.900 121.728 119.950 -0.204 0.000 2.443 399 F HA 0.203 4.736 4.527 0.011 0.000 0.353 399 F C 1.594 177.383 175.800 -0.018 0.000 1.101 399 F CA -0.402 57.584 58.000 -0.023 0.000 1.226 399 F CB 0.655 39.742 39.000 0.146 0.000 1.140 399 F HN 0.542 nan 8.300 nan 0.000 0.557 400 D N 1.189 121.706 120.400 0.194 0.000 2.350 400 D HA 0.016 4.658 4.640 0.003 0.000 0.213 400 D C 0.204 176.599 176.300 0.157 0.000 1.031 400 D CA 0.660 54.739 54.000 0.133 0.000 0.861 400 D CB 0.280 41.148 40.800 0.114 0.000 0.926 400 D HN 0.573 nan 8.370 nan 0.000 0.520 401 K N -0.290 120.242 120.400 0.221 0.000 2.575 401 K HA 0.285 4.607 4.320 0.003 0.000 0.279 401 K C -1.425 175.260 176.600 0.142 0.000 0.969 401 K CA -0.816 55.562 56.287 0.153 0.000 0.868 401 K CB 1.389 33.963 32.500 0.123 0.000 1.457 401 K HN -0.421 nan 8.250 nan 0.000 0.426 402 D N 1.834 122.278 120.400 0.074 0.000 2.531 402 D HA 0.105 4.747 4.640 0.003 0.000 0.239 402 D C -0.728 175.564 176.300 -0.014 0.000 1.144 402 D CA 0.849 54.860 54.000 0.019 0.000 0.869 402 D CB 0.704 41.512 40.800 0.013 0.000 1.160 402 D HN 0.437 nan 8.370 nan 0.000 0.484 403 T N 2.730 117.214 114.554 -0.116 0.000 2.881 403 T HA 0.317 4.669 4.350 0.003 0.000 0.290 403 T C -0.227 174.399 174.700 -0.123 0.000 1.000 403 T CA -0.829 61.185 62.100 -0.143 0.000 0.978 403 T CB 1.473 70.163 68.868 -0.297 0.000 0.997 403 T HN 0.163 nan 8.240 nan 0.000 0.443 404 E N 2.582 122.745 120.200 -0.063 0.000 2.156 404 E HA 0.439 4.791 4.350 0.003 0.000 0.279 404 E C -0.729 175.840 176.600 -0.052 0.000 0.965 404 E CA -0.601 55.775 56.400 -0.040 0.000 0.789 404 E CB 1.534 31.226 29.700 -0.014 0.000 1.098 404 E HN 0.409 nan 8.360 nan 0.000 0.397 405 L N 3.688 124.887 121.223 -0.039 0.000 2.294 405 L HA 0.466 4.807 4.340 0.003 0.000 0.283 405 L C -0.857 175.917 176.870 -0.160 0.000 1.015 405 L CA -0.898 53.895 54.840 -0.079 0.000 0.831 405 L CB 1.202 43.242 42.059 -0.032 0.000 1.217 405 L HN 0.277 nan 8.230 nan 0.000 0.420 406 V N 2.804 122.617 119.914 -0.169 0.000 2.488 406 V HA 0.916 5.037 4.120 0.003 0.000 0.293 406 V C 0.330 176.351 176.094 -0.122 0.000 1.027 406 V CA -0.233 61.939 62.300 -0.214 0.000 0.862 406 V CB 1.242 32.950 31.823 -0.191 0.000 1.008 406 V HN 1.040 nan 8.190 nan 0.000 0.428 407 G N 4.700 113.443 108.800 -0.096 0.000 2.278 407 G HA2 -0.049 3.913 3.960 0.003 0.000 0.265 407 G HA3 -0.049 3.913 3.960 0.003 0.000 0.265 407 G C -0.963 173.913 174.900 -0.041 0.000 1.329 407 G CA -0.723 44.394 45.100 0.028 0.000 1.017 407 G HN 0.512 nan 8.290 nan 0.000 0.472 411 L N 2.948 124.118 121.223 -0.089 0.000 2.264 411 L HA 0.551 4.893 4.340 0.003 0.000 0.287 411 L C -0.054 176.769 176.870 -0.078 0.000 1.039 411 L CA -0.237 54.550 54.840 -0.088 0.000 0.829 411 L CB 0.448 42.460 42.059 -0.079 0.000 1.211 411 L HN 0.497 nan 8.230 nan 0.000 0.427 412 K N 5.957 126.308 120.400 -0.081 0.000 2.248 412 K HA 0.572 4.894 4.320 0.003 0.000 0.281 412 K C -1.479 175.092 176.600 -0.049 0.000 1.054 412 K CA -0.448 55.791 56.287 -0.080 0.000 0.903 412 K CB 0.536 32.999 32.500 -0.061 0.000 1.077 412 K HN 0.686 nan 8.250 nan 0.000 0.474 413 L N 4.026 125.200 121.223 -0.081 0.000 2.370 413 L HA 0.522 4.864 4.340 0.003 0.000 0.266 413 L C -1.142 175.686 176.870 -0.070 0.000 1.002 413 L CA -1.131 53.713 54.840 0.006 0.000 0.818 413 L CB 1.540 43.620 42.059 0.035 0.000 1.325 413 L HN 0.600 nan 8.230 nan 0.000 0.418 414 W N 2.704 124.058 121.300 0.090 0.000 2.391 414 W HA 0.635 5.297 4.660 0.003 0.000 0.311 414 W C -0.359 176.252 176.519 0.154 0.000 1.087 414 W CA -0.596 56.804 57.345 0.092 0.000 1.209 414 W CB 1.687 31.208 29.460 0.102 0.000 1.273 414 W HN 0.215 nan 8.180 nan 0.000 0.482 415 V N 0.926 121.008 119.914 0.280 0.000 3.007 415 V HA 0.934 5.056 4.120 0.003 0.000 0.311 415 V C -0.435 175.776 176.094 0.195 0.000 1.120 415 V CA -1.026 61.412 62.300 0.229 0.000 0.980 415 V CB 1.563 33.425 31.823 0.066 0.000 1.033 415 V HN 0.573 nan 8.190 nan 0.000 0.429 416 S N 1.087 116.912 115.700 0.208 0.000 2.625 416 S HA 0.885 5.357 4.470 0.003 0.000 0.271 416 S C -0.687 173.934 174.600 0.036 0.000 1.161 416 S CA -0.095 58.180 58.200 0.125 0.000 0.820 416 S CB 1.946 65.268 63.200 0.203 0.000 1.137 416 S HN 1.954 nan 8.310 nan 0.000 0.470 417 T N -0.364 114.204 114.554 0.023 0.000 2.894 417 T HA 0.556 4.907 4.350 0.003 0.000 0.309 417 T C -0.286 174.440 174.700 0.043 0.000 1.208 417 T CA -0.591 61.521 62.100 0.020 0.000 1.016 417 T CB 1.943 70.808 68.868 -0.006 0.000 1.192 417 T HN 0.733 nan 8.240 nan 0.000 0.491 418 K N 0.826 121.256 120.400 0.049 0.000 2.350 418 K HA 0.188 4.510 4.320 0.003 0.000 0.196 418 K C 0.360 176.987 176.600 0.045 0.000 1.084 418 K CA 0.249 56.562 56.287 0.044 0.000 0.967 418 K CB 0.397 32.920 32.500 0.039 0.000 0.950 418 K HN 0.451 nan 8.250 nan 0.000 0.512 419 D N -0.117 120.315 120.400 0.054 0.000 2.369 419 D HA 0.080 4.722 4.640 0.003 0.000 0.211 419 D C -0.159 176.177 176.300 0.060 0.000 1.077 419 D CA 0.326 54.358 54.000 0.053 0.000 0.842 419 D CB 1.028 41.860 40.800 0.052 0.000 0.947 419 D HN -0.099 nan 8.370 nan 0.000 0.509 420 S N -0.096 115.644 115.700 0.067 0.000 2.651 420 S HA 0.272 4.744 4.470 0.003 0.000 0.279 420 S C -0.991 173.643 174.600 0.057 0.000 1.148 420 S CA -0.705 57.538 58.200 0.070 0.000 0.837 420 S CB 1.448 64.707 63.200 0.098 0.000 1.138 420 S HN 0.026 nan 8.310 nan 0.000 0.478 421 D N 0.755 121.188 120.400 0.056 0.000 2.388 421 D HA 0.338 4.980 4.640 0.003 0.000 0.221 421 D C -0.057 176.271 176.300 0.048 0.000 1.133 421 D CA 0.073 54.101 54.000 0.047 0.000 0.831 421 D CB 0.149 40.976 40.800 0.046 0.000 0.962 421 D HN 0.301 nan 8.370 nan 0.000 0.502 425 L N 1.832 123.110 121.223 0.093 0.000 2.307 425 L HA 0.591 4.932 4.340 0.003 0.000 0.284 425 L C -0.540 176.298 176.870 -0.054 0.000 1.023 425 L CA -0.773 54.172 54.840 0.174 0.000 0.810 425 L CB 1.126 43.244 42.059 0.098 0.000 1.231 425 L HN 0.208 nan 8.230 nan 0.000 0.423 426 F N 2.070 122.030 119.950 0.016 0.000 2.427 426 F HA 0.641 5.170 4.527 0.003 0.000 0.348 426 F C 0.439 176.126 175.800 -0.189 0.000 1.125 426 F CA -0.568 57.352 58.000 -0.134 0.000 0.989 426 F CB 1.766 40.725 39.000 -0.068 0.000 1.165 426 F HN 0.461 nan 8.300 nan 0.000 0.442 427 A N 2.426 125.131 122.820 -0.192 0.000 2.325 427 A HA 0.934 5.256 4.320 0.003 0.000 0.333 427 A C -0.210 177.240 177.584 -0.224 0.000 1.155 427 A CA -0.542 51.399 52.037 -0.159 0.000 0.814 427 A CB 1.217 20.126 19.000 -0.152 0.000 1.206 427 A HN 0.881 nan 8.150 nan 0.000 0.482 428 G N 0.435 109.164 108.800 -0.117 0.000 2.706 428 G HA2 0.557 4.519 3.960 0.003 0.000 0.297 428 G HA3 0.557 4.519 3.960 0.003 0.000 0.297 428 G C -1.255 173.628 174.900 -0.029 0.000 1.403 428 G CA -0.446 44.597 45.100 -0.096 0.000 0.954 428 G HN 0.470 nan 8.290 nan 0.000 0.500 429 I N 0.969 121.532 120.570 -0.011 0.000 2.378 429 I HA 0.475 4.647 4.170 0.003 0.000 0.291 429 I C -0.017 176.166 176.117 0.109 0.000 0.992 429 I CA -0.784 60.546 61.300 0.049 0.000 1.154 429 I CB 1.488 39.511 38.000 0.038 0.000 1.315 429 I HN 0.385 nan 8.210 nan 0.000 0.448 430 K N 4.434 124.927 120.400 0.156 0.000 2.340 430 K HA 0.560 4.882 4.320 0.003 0.000 0.244 430 K C -0.679 176.105 176.600 0.308 0.000 0.973 430 K CA -0.984 55.420 56.287 0.195 0.000 0.828 430 K CB 3.055 35.633 32.500 0.131 0.000 1.226 430 K HN 0.387 nan 8.250 nan 0.000 0.437 431 K N 2.610 123.192 120.400 0.303 0.000 2.244 431 K HA 0.441 4.763 4.320 0.003 0.000 0.260 431 K C -1.278 175.435 176.600 0.189 0.000 0.951 431 K CA -0.539 55.945 56.287 0.328 0.000 0.826 431 K CB 0.814 33.386 32.500 0.121 0.000 1.108 431 K HN 0.461 nan 8.250 nan 0.000 0.433 432 L N 3.691 125.034 121.223 0.199 0.000 2.346 432 L HA 0.380 4.722 4.340 0.003 0.000 0.276 432 L C -0.137 176.796 176.870 0.105 0.000 1.006 432 L CA -1.236 53.673 54.840 0.115 0.000 0.817 432 L CB 1.630 43.749 42.059 0.101 0.000 1.272 432 L HN 0.819 nan 8.230 nan 0.000 0.421 433 D N 1.212 121.643 120.400 0.053 0.000 2.447 433 D HA 0.130 4.772 4.640 0.003 0.000 0.265 433 D C 0.818 177.148 176.300 0.050 0.000 1.250 433 D CA -0.474 53.552 54.000 0.042 0.000 1.046 433 D CB 0.677 41.482 40.800 0.009 0.000 1.095 433 D HN 0.330 nan 8.370 nan 0.000 0.555 434 R N -1.480 119.046 120.500 0.042 0.000 2.237 434 R HA 0.023 4.365 4.340 0.003 0.000 0.219 434 R C 1.439 177.753 176.300 0.024 0.000 1.080 434 R CA 0.742 56.864 56.100 0.038 0.000 0.995 434 R CB -0.114 30.206 30.300 0.034 0.000 0.875 434 R HN 0.207 nan 8.270 nan 0.000 0.462 435 R N -0.706 119.804 120.500 0.017 0.000 2.310 435 R HA 0.144 4.485 4.340 0.003 0.000 0.202 435 R C 0.939 177.244 176.300 0.009 0.000 0.933 435 R CA 0.672 56.777 56.100 0.009 0.000 1.054 435 R CB 0.363 30.665 30.300 0.003 0.000 0.985 435 R HN 0.355 nan 8.270 nan 0.000 0.489 436 G N -0.032 108.779 108.800 0.017 0.000 2.157 436 G HA2 -0.269 3.693 3.960 0.003 0.000 0.248 436 G HA3 -0.269 3.693 3.960 0.003 0.000 0.248 436 G C -0.381 174.527 174.900 0.013 0.000 0.979 436 G CA -0.203 44.907 45.100 0.018 0.000 0.650 436 G HN 0.276 nan 8.290 nan 0.000 0.529 437 N N 0.714 119.419 118.700 0.008 0.000 2.498 437 N HA 0.407 5.149 4.740 0.003 0.000 0.287 437 N C 0.109 175.619 175.510 -0.001 0.000 1.097 437 N CA -0.398 52.651 53.050 -0.002 0.000 0.973 437 N CB 1.408 39.887 38.487 -0.013 0.000 1.153 437 N HN 0.570 nan 8.380 nan 0.000 0.472 438 E N 0.744 120.941 120.200 -0.005 0.000 2.384 438 E HA 0.095 4.447 4.350 0.003 0.000 0.266 438 E C -0.824 175.747 176.600 -0.047 0.000 1.012 438 E CA -0.318 56.081 56.400 -0.001 0.000 0.901 438 E CB 0.640 30.344 29.700 0.006 0.000 0.967 438 E HN 0.168 nan 8.360 nan 0.000 0.435 439 V N 5.361 125.233 119.914 -0.070 0.000 2.348 439 V HA 0.152 4.274 4.120 0.003 0.000 0.270 439 V C -0.085 175.779 176.094 -0.383 0.000 1.037 439 V CA -0.488 61.677 62.300 -0.225 0.000 0.872 439 V CB 0.719 32.393 31.823 -0.248 0.000 1.002 439 V HN 0.700 nan 8.190 nan 0.000 0.464 440 N N 3.850 122.339 118.700 -0.352 0.000 2.513 440 N HA 0.669 5.411 4.740 0.003 0.000 0.274 440 N C -1.112 174.131 175.510 -0.445 0.000 1.189 440 N CA -0.242 52.656 53.050 -0.253 0.000 0.975 440 N CB 0.959 39.387 38.487 -0.099 0.000 1.157 440 N HN 0.477 nan 8.380 nan 0.000 0.465 441 F N -0.109 119.966 119.950 0.208 0.000 2.613 441 F HA 0.447 4.975 4.527 0.002 0.000 0.314 441 F C -2.204 173.798 175.800 0.337 0.000 1.075 441 F CA -2.297 55.866 58.000 0.271 0.000 0.945 441 F CB 1.333 40.411 39.000 0.129 0.000 1.310 441 F HN 0.257 nan 8.300 nan 0.000 0.467 442 P HA 0.086 nan 4.420 nan 0.000 0.265 442 P C -1.005 176.493 177.300 0.329 0.000 1.187 442 P CA 0.555 63.917 63.100 0.437 0.000 0.766 442 P CB 0.603 32.501 31.700 0.329 0.000 0.820 443 D N 1.030 121.598 120.400 0.279 0.000 2.677 443 D HA 0.316 4.958 4.640 0.003 0.000 0.298 443 D C -1.510 174.950 176.300 0.267 0.000 1.250 443 D CA -0.701 53.463 54.000 0.273 0.000 0.888 443 D CB 1.034 41.998 40.800 0.273 0.000 1.397 443 D HN 0.121 nan 8.370 nan 0.000 0.461 444 F N 1.572 121.604 119.950 0.136 0.000 2.399 444 F HA 0.337 4.865 4.527 0.002 0.000 0.342 444 F C 0.368 176.162 175.800 -0.010 0.000 1.106 444 F CA -0.449 57.594 58.000 0.072 0.000 1.196 444 F CB 0.664 39.725 39.000 0.102 0.000 1.163 444 F HN 0.061 nan 8.300 nan 0.000 0.547 445 N N 4.120 122.414 118.700 -0.676 0.000 2.501 445 N HA 0.177 4.919 4.740 0.003 0.000 0.245 445 N C -0.844 174.778 175.510 0.187 0.000 0.974 445 N CA -0.310 52.292 53.050 -0.746 0.000 0.941 445 N CB -0.279 37.373 38.487 -1.391 0.000 1.122 445 N HN 0.719 nan 8.380 nan 0.000 0.507 446 H N 0.532 119.698 119.070 0.160 0.000 2.713 446 H HA -0.205 4.354 4.556 0.004 0.000 0.311 446 H C 0.089 175.567 175.328 0.250 0.000 1.175 446 H CA 1.227 57.415 56.048 0.234 0.000 1.143 446 H CB -1.676 28.184 29.762 0.165 0.000 1.434 446 H HN 0.594 nan 8.280 nan 0.000 0.418 447 I N -2.829 117.886 120.570 0.241 0.000 2.577 447 I HA 0.276 4.448 4.170 0.003 0.000 0.300 447 I C 1.015 177.271 176.117 0.231 0.000 0.990 447 I CA -0.425 60.994 61.300 0.198 0.000 1.283 447 I CB 1.600 39.672 38.000 0.120 0.000 1.411 447 I HN 0.123 nan 8.210 nan 0.000 0.515 448 E N 2.178 122.478 120.200 0.167 0.000 2.489 448 E HA -0.003 4.349 4.350 0.003 0.000 0.204 448 E C -0.017 176.610 176.600 0.045 0.000 1.006 448 E CA 0.057 56.538 56.400 0.135 0.000 0.936 448 E CB 0.119 29.746 29.700 -0.121 0.000 1.002 448 E HN 0.788 nan 8.360 nan 0.000 0.488 449 N N 0.811 119.543 118.700 0.054 0.000 2.451 449 N HA 0.055 4.797 4.740 0.003 0.000 0.264 449 N C 0.279 175.843 175.510 0.090 0.000 1.167 449 N CA -0.141 52.929 53.050 0.034 0.000 0.898 449 N CB 0.331 38.822 38.487 0.007 0.000 1.176 449 N HN -0.051 nan 8.380 nan 0.000 0.507 450 G N 0.190 109.085 108.800 0.159 0.000 2.535 450 G HA2 0.397 4.359 3.960 0.003 0.000 0.282 450 G HA3 0.397 4.359 3.960 0.003 0.000 0.282 450 G C -0.095 174.938 174.900 0.223 0.000 1.350 450 G CA -0.429 44.791 45.100 0.200 0.000 1.039 450 G HN 0.504 nan 8.290 nan 0.000 0.509 451 Q N -2.575 117.371 119.800 0.243 0.000 3.156 451 Q HA 0.537 4.879 4.340 0.003 0.000 0.301 451 Q C 0.544 176.706 176.000 0.271 0.000 1.026 451 Q CA -0.752 55.201 55.803 0.251 0.000 0.827 451 Q CB 1.202 30.030 28.738 0.150 0.000 1.490 451 Q HN 0.175 nan 8.270 nan 0.000 0.492 452 V N -0.433 119.592 119.914 0.185 0.000 2.302 452 V HA 0.180 4.302 4.120 0.003 0.000 0.243 452 V C 0.643 176.701 176.094 -0.060 0.000 1.036 452 V CA 1.669 63.965 62.300 -0.005 0.000 1.020 452 V CB -0.026 31.826 31.823 0.048 0.000 0.657 452 V HN 0.760 nan 8.190 nan 0.000 0.453 453 A N -1.281 121.527 122.820 -0.020 0.000 2.572 453 A HA 0.720 5.041 4.320 0.003 0.000 0.295 453 A C -0.619 176.905 177.584 -0.099 0.000 1.072 453 A CA -0.319 51.681 52.037 -0.061 0.000 0.691 453 A CB 1.793 20.738 19.000 -0.091 0.000 1.291 453 A HN 0.149 nan 8.150 nan 0.000 0.404 454 T N 0.109 114.557 114.554 -0.177 0.000 2.900 454 T HA 0.841 5.193 4.350 0.003 0.000 0.295 454 T C 0.011 174.364 174.700 -0.577 0.000 1.044 454 T CA -0.041 61.811 62.100 -0.413 0.000 0.995 454 T CB 2.027 70.638 68.868 -0.429 0.000 1.072 454 T HN 1.654 nan 8.240 nan 0.000 0.473 455 G N 0.579 108.883 108.800 -0.826 0.000 2.660 455 G HA2 0.668 4.630 3.960 0.003 0.000 0.290 455 G HA3 0.668 4.630 3.960 0.003 0.000 0.290 455 G C -2.186 172.218 174.900 -0.828 0.000 1.432 455 G CA -0.777 43.911 45.100 -0.686 0.000 0.807 455 G HN 0.567 nan 8.290 nan 0.000 0.485 456 W N -0.322 120.818 121.300 -0.266 0.000 3.127 456 W HA 0.680 5.342 4.660 0.003 0.000 0.330 456 W C -1.599 174.729 176.519 -0.318 0.000 1.187 456 W CA -0.723 56.381 57.345 -0.401 0.000 1.198 456 W CB 2.494 31.615 29.460 -0.566 0.000 1.408 456 W HN 0.588 nan 8.180 nan 0.000 0.529 457 L N 2.067 123.221 121.223 -0.116 0.000 2.526 457 L HA 0.472 4.814 4.340 0.003 0.000 0.263 457 L C -0.673 176.099 176.870 -0.163 0.000 0.943 457 L CA -0.625 54.120 54.840 -0.157 0.000 0.859 457 L CB 2.095 44.042 42.059 -0.186 0.000 1.313 457 L HN 0.471 nan 8.230 nan 0.000 0.406 458 R N 3.487 123.880 120.500 -0.179 0.000 2.221 458 R HA 0.443 4.785 4.340 0.003 0.000 0.327 458 R C 0.174 176.433 176.300 -0.069 0.000 1.033 458 R CA -0.313 55.701 56.100 -0.143 0.000 0.887 458 R CB 1.227 31.363 30.300 -0.273 0.000 1.057 458 R HN 0.696 nan 8.270 nan 0.000 0.455 459 V N 3.094 122.985 119.914 -0.038 0.000 2.490 459 V HA -0.241 3.881 4.120 0.003 0.000 0.250 459 V C 2.132 178.237 176.094 0.018 0.000 1.061 459 V CA 2.195 64.475 62.300 -0.034 0.000 1.064 459 V CB -0.327 31.466 31.823 -0.050 0.000 0.670 459 V HN 0.961 nan 8.190 nan 0.000 0.461 460 S N -0.751 114.999 115.700 0.084 0.000 2.469 460 S HA -0.216 4.256 4.470 0.003 0.000 0.238 460 S C 1.490 176.187 174.600 0.162 0.000 0.998 460 S CA 1.242 59.519 58.200 0.129 0.000 0.957 460 S CB -0.698 62.604 63.200 0.169 0.000 0.764 460 S HN 0.795 nan 8.310 nan 0.000 0.514 461 H N 1.176 120.220 119.070 -0.044 0.000 2.517 461 H HA 0.222 4.780 4.556 0.003 0.000 0.282 461 H C 1.991 177.194 175.328 -0.209 0.000 1.023 461 H CA 0.141 56.143 56.048 -0.076 0.000 1.169 461 H CB 0.183 29.960 29.762 0.025 0.000 1.454 461 H HN 0.619 nan 8.280 nan 0.000 0.556 462 R N 1.430 121.898 120.500 -0.052 0.000 2.237 462 R HA -0.042 4.300 4.340 0.003 0.000 0.219 462 R C 0.594 176.938 176.300 0.074 0.000 1.080 462 R CA 0.383 56.443 56.100 -0.067 0.000 0.995 462 R CB -0.160 30.105 30.300 -0.058 0.000 0.875 462 R HN 0.240 nan 8.270 nan 0.000 0.462 463 E N 1.928 122.137 120.200 0.014 0.000 2.351 463 E HA 0.034 4.386 4.350 0.003 0.000 0.266 463 E C -0.741 175.881 176.600 0.038 0.000 1.031 463 E CA -0.187 56.219 56.400 0.011 0.000 0.911 463 E CB 0.582 30.270 29.700 -0.019 0.000 0.986 463 E HN 0.250 nan 8.360 nan 0.000 0.446 464 L N 4.014 125.239 121.223 0.003 0.000 2.371 464 L HA 0.125 4.467 4.340 0.003 0.000 0.272 464 L C 0.612 177.461 176.870 -0.034 0.000 1.124 464 L CA -0.437 54.370 54.840 -0.055 0.000 0.816 464 L CB 0.803 42.805 42.059 -0.094 0.000 1.129 464 L HN 0.576 nan 8.230 nan 0.000 0.448 465 D N 2.710 123.103 120.400 -0.012 0.000 2.344 465 D HA -0.014 4.628 4.640 0.003 0.000 0.253 465 D C 0.765 177.019 176.300 -0.077 0.000 1.255 465 D CA -0.070 53.913 54.000 -0.027 0.000 0.894 465 D CB 1.192 41.983 40.800 -0.015 0.000 1.067 465 D HN 0.453 nan 8.370 nan 0.000 0.492 466 Q N 2.802 122.556 119.800 -0.076 0.000 2.079 466 Q HA -0.176 4.166 4.340 0.003 0.000 0.200 466 Q C 1.594 177.528 176.000 -0.110 0.000 0.974 466 Q CA 0.941 56.694 55.803 -0.084 0.000 0.840 466 Q CB -0.058 28.641 28.738 -0.065 0.000 0.898 466 Q HN 0.736 nan 8.270 nan 0.000 0.430 467 E N 1.049 121.172 120.200 -0.128 0.000 2.153 467 E HA -0.173 4.179 4.350 0.003 0.000 0.194 467 E C 1.249 177.716 176.600 -0.222 0.000 0.988 467 E CA 0.986 57.293 56.400 -0.155 0.000 0.811 467 E CB 0.174 29.783 29.700 -0.152 0.000 0.746 467 E HN 0.242 nan 8.360 nan 0.000 0.466 468 K N 0.300 120.517 120.400 -0.305 0.000 2.352 468 K HA 0.142 4.464 4.320 0.003 0.000 0.194 468 K C 0.641 177.093 176.600 -0.246 0.000 1.038 468 K CA -0.088 55.917 56.287 -0.470 0.000 1.023 468 K CB 0.569 32.435 32.500 -1.057 0.000 0.840 468 K HN -0.080 nan 8.250 nan 0.000 0.519 469 S N 1.407 117.032 115.700 -0.126 0.000 2.585 469 S HA 0.150 4.621 4.470 0.003 0.000 0.273 469 S C 0.219 174.758 174.600 -0.101 0.000 1.339 469 S CA -0.590 57.574 58.200 -0.061 0.000 1.028 469 S CB 1.188 64.337 63.200 -0.086 0.000 0.906 469 S HN 0.328 nan 8.310 nan 0.000 0.528 470 S N 0.906 116.539 115.700 -0.111 0.000 2.704 470 S HA 0.510 4.981 4.470 0.003 0.000 0.296 470 S C 0.740 175.219 174.600 -0.201 0.000 1.138 470 S CA -0.885 57.217 58.200 -0.165 0.000 0.875 470 S CB 0.578 63.660 63.200 -0.196 0.000 1.151 470 S HN 0.586 nan 8.310 nan 0.000 0.500 471 I N 0.398 120.812 120.570 -0.260 0.000 2.361 471 I HA 0.004 4.176 4.170 0.003 0.000 0.251 471 I C 2.122 178.049 176.117 -0.318 0.000 1.133 471 I CA 1.758 62.903 61.300 -0.259 0.000 1.413 471 I CB -0.436 37.419 38.000 -0.241 0.000 1.073 471 I HN 0.835 nan 8.210 nan 0.000 0.424 472 A N -0.934 121.602 122.820 -0.473 0.000 2.115 472 A HA 0.062 4.384 4.320 0.003 0.000 0.211 472 A C 1.295 178.745 177.584 -0.223 0.000 1.169 472 A CA 0.143 51.945 52.037 -0.391 0.000 0.787 472 A CB -0.012 18.625 19.000 -0.604 0.000 0.858 472 A HN 0.515 nan 8.150 nan 0.000 0.474 473 Q N 0.918 120.602 119.800 -0.193 0.000 2.397 473 Q HA 0.301 4.643 4.340 0.003 0.000 0.260 473 Q C -2.993 172.957 176.000 -0.084 0.000 1.002 473 Q CA -2.478 53.261 55.803 -0.106 0.000 0.716 473 Q CB 2.314 31.024 28.738 -0.045 0.000 1.258 473 Q HN 0.165 nan 8.270 nan 0.000 0.477 474 P HA 0.056 nan 4.420 nan 0.000 0.271 474 P C -1.098 176.073 177.300 -0.215 0.000 1.218 474 P CA -0.162 62.818 63.100 -0.200 0.000 0.780 474 P CB 0.661 32.208 31.700 -0.255 0.000 0.901 475 W N 3.855 124.886 121.300 -0.447 0.000 2.619 475 W HA 0.262 4.923 4.660 0.002 0.000 0.327 475 W C -1.182 175.048 176.519 -0.482 0.000 1.027 475 W CA -0.335 56.791 57.345 -0.364 0.000 1.233 475 W CB 1.074 30.407 29.460 -0.211 0.000 1.370 475 W HN 0.531 nan 8.180 nan 0.000 0.453 476 H N 4.023 123.067 119.070 -0.043 0.000 2.467 476 H HA 0.196 4.754 4.556 0.003 0.000 0.326 476 H C 1.245 176.504 175.328 -0.115 0.000 1.094 476 H CA -0.141 55.791 56.048 -0.193 0.000 1.253 476 H CB 2.276 31.721 29.762 -0.529 0.000 1.439 476 H HN 0.260 nan 8.280 nan 0.000 0.479 477 K N 1.022 121.447 120.400 0.042 0.000 2.057 477 K HA -0.154 4.168 4.320 0.003 0.000 0.207 477 K C -0.068 176.618 176.600 0.143 0.000 1.049 477 K CA 0.916 57.268 56.287 0.108 0.000 0.931 477 K CB 0.044 32.586 32.500 0.071 0.000 0.714 477 K HN 0.734 nan 8.250 nan 0.000 0.440 478 H N -0.306 118.816 119.070 0.087 0.000 2.791 478 H HA -0.178 4.379 4.556 0.003 0.000 0.302 478 H C 1.012 176.316 175.328 -0.040 0.000 1.198 478 H CA 1.229 57.282 56.048 0.009 0.000 1.145 478 H CB -1.413 28.394 29.762 0.075 0.000 1.385 478 H HN 0.559 nan 8.280 nan 0.000 0.409 479 E N 0.559 120.783 120.200 0.040 0.000 2.099 479 E HA -0.003 4.349 4.350 0.003 0.000 0.191 479 E C 0.671 177.252 176.600 -0.032 0.000 0.962 479 E CA 1.234 57.653 56.400 0.031 0.000 0.826 479 E CB 0.671 30.397 29.700 0.044 0.000 0.788 479 E HN 0.471 nan 8.360 nan 0.000 0.461 480 T N -1.469 113.040 114.554 -0.076 0.000 2.883 480 T HA 0.394 4.746 4.350 0.003 0.000 0.301 480 T C -0.773 173.841 174.700 -0.144 0.000 1.158 480 T CA -1.021 61.029 62.100 -0.084 0.000 1.007 480 T CB 1.796 70.641 68.868 -0.038 0.000 1.186 480 T HN -0.049 nan 8.240 nan 0.000 0.499 481 E N 1.116 121.250 120.200 -0.111 0.000 2.229 481 E HA 0.337 4.689 4.350 0.003 0.000 0.283 481 E C -0.681 175.906 176.600 -0.022 0.000 1.030 481 E CA -0.523 55.831 56.400 -0.078 0.000 0.836 481 E CB 1.249 30.951 29.700 0.004 0.000 1.068 481 E HN 0.459 nan 8.360 nan 0.000 0.401 482 L N 4.602 125.820 121.223 -0.008 0.000 2.360 482 L HA 0.226 4.568 4.340 0.003 0.000 0.265 482 L C 0.279 177.162 176.870 0.022 0.000 1.066 482 L CA -0.637 54.205 54.840 0.003 0.000 0.929 482 L CB 0.108 42.163 42.059 -0.006 0.000 1.306 482 L HN 0.205 nan 8.230 nan 0.000 0.434 483 K N 2.590 123.007 120.400 0.029 0.000 2.180 483 K HA 0.457 4.779 4.320 0.003 0.000 0.251 483 K C -0.219 176.398 176.600 0.028 0.000 1.014 483 K CA -0.313 55.996 56.287 0.037 0.000 0.913 483 K CB 1.423 33.948 32.500 0.042 0.000 1.008 483 K HN 0.356 nan 8.250 nan 0.000 0.490 484 L N 0.631 121.871 121.223 0.028 0.000 2.344 484 L HA 0.293 4.635 4.340 0.003 0.000 0.272 484 L C 0.456 177.342 176.870 0.026 0.000 1.035 484 L CA -0.618 54.236 54.840 0.023 0.000 0.807 484 L CB 1.706 43.775 42.059 0.017 0.000 1.237 484 L HN 0.467 nan 8.230 nan 0.000 0.442 485 S N 0.146 115.861 115.700 0.024 0.000 2.646 485 S HA 0.260 4.732 4.470 0.003 0.000 0.276 485 S C -0.472 174.145 174.600 0.028 0.000 1.222 485 S CA -0.785 57.430 58.200 0.026 0.000 1.014 485 S CB 1.124 64.338 63.200 0.023 0.000 0.991 485 S HN 0.473 nan 8.310 nan 0.000 0.533 486 Q N 1.522 121.340 119.800 0.029 0.000 2.269 486 Q HA -0.037 4.305 4.340 0.003 0.000 0.300 486 Q C -0.339 175.682 176.000 0.035 0.000 1.070 486 Q CA 0.460 56.282 55.803 0.033 0.000 0.957 486 Q CB -0.003 28.754 28.738 0.031 0.000 1.131 486 Q HN 0.550 nan 8.270 nan 0.000 0.377 487 D N 0.936 121.362 120.400 0.044 0.000 3.077 487 D HA -0.200 4.442 4.640 0.003 0.000 0.217 487 D C -0.234 176.086 176.300 0.032 0.000 1.162 487 D CA 1.156 55.188 54.000 0.053 0.000 0.943 487 D CB -0.674 40.158 40.800 0.053 0.000 1.122 487 D HN 0.706 nan 8.370 nan 0.000 0.413 488 E N 0.511 120.728 120.200 0.028 0.000 2.383 488 E HA 0.146 4.498 4.350 0.003 0.000 0.257 488 E C 0.303 176.914 176.600 0.018 0.000 1.079 488 E CA 0.014 56.426 56.400 0.021 0.000 0.934 488 E CB 0.270 29.984 29.700 0.024 0.000 0.978 488 E HN 0.267 nan 8.360 nan 0.000 0.462 489 I N 6.092 126.656 120.570 -0.011 0.000 2.352 489 I HA 0.127 4.299 4.170 0.003 0.000 0.290 489 I C 0.002 176.190 176.117 0.117 0.000 1.036 489 I CA -0.588 60.691 61.300 -0.035 0.000 1.336 489 I CB 0.867 38.692 38.000 -0.291 0.000 1.407 489 I HN 0.287 nan 8.210 nan 0.000 0.497 490 V N 5.316 125.292 119.914 0.104 0.000 2.823 490 V HA 0.723 4.845 4.120 0.003 0.000 0.312 490 V C -2.785 173.202 176.094 -0.177 0.000 1.072 490 V CA -2.385 59.930 62.300 0.025 0.000 0.937 490 V CB 1.907 33.715 31.823 -0.024 0.000 1.013 490 V HN 0.453 nan 8.190 nan 0.000 0.430 491 P HA 0.502 nan 4.420 nan 0.000 0.290 491 P C -0.713 176.299 177.300 -0.480 0.000 1.276 491 P CA -0.244 62.244 63.100 -1.020 0.000 0.808 491 P CB 1.657 32.496 31.700 -1.435 0.000 0.966 492 V N 0.061 119.753 119.914 -0.371 0.000 2.876 492 V HA 0.656 4.778 4.120 0.003 0.000 0.312 492 V C -0.731 175.278 176.094 -0.141 0.000 1.085 492 V CA -1.015 61.176 62.300 -0.182 0.000 0.945 492 V CB 2.536 34.288 31.823 -0.119 0.000 1.017 492 V HN 0.396 nan 8.190 nan 0.000 0.428 493 E N 3.624 123.804 120.200 -0.033 0.000 2.218 493 E HA 0.590 4.942 4.350 0.003 0.000 0.263 493 E C -1.276 175.371 176.600 0.077 0.000 0.879 493 E CA -0.534 55.857 56.400 -0.015 0.000 0.762 493 E CB 2.604 32.275 29.700 -0.049 0.000 1.166 493 E HN 0.716 nan 8.360 nan 0.000 0.415 494 I N 2.314 122.889 120.570 0.009 0.000 2.321 494 I HA 0.117 4.289 4.170 0.003 0.000 0.291 494 I C 0.438 176.552 176.117 -0.005 0.000 0.998 494 I CA -0.475 60.831 61.300 0.011 0.000 1.227 494 I CB 1.209 39.179 38.000 -0.050 0.000 1.368 494 I HN 0.507 nan 8.210 nan 0.000 0.466 495 E N 7.206 127.428 120.200 0.037 0.000 1.985 495 E HA 0.095 4.447 4.350 0.003 0.000 0.268 495 E C -0.834 175.729 176.600 -0.061 0.000 1.219 495 E CA -0.672 55.717 56.400 -0.018 0.000 0.942 495 E CB 0.474 30.173 29.700 -0.003 0.000 1.045 495 E HN 0.372 nan 8.360 nan 0.000 0.413 496 L N 5.846 127.015 121.223 -0.089 0.000 2.410 496 L HA 0.170 4.512 4.340 0.003 0.000 0.273 496 L C 0.554 177.371 176.870 -0.088 0.000 1.144 496 L CA 0.220 54.992 54.840 -0.114 0.000 0.863 496 L CB 0.188 42.179 42.059 -0.114 0.000 1.140 496 L HN 0.614 nan 8.230 nan 0.000 0.463 497 L N 5.315 126.493 121.223 -0.074 0.000 2.464 497 L HA 0.214 4.556 4.340 0.003 0.000 0.264 497 L C -1.805 175.035 176.870 -0.050 0.000 1.199 497 L CA -1.685 53.134 54.840 -0.035 0.000 0.818 497 L CB 0.248 42.321 42.059 0.022 0.000 1.102 497 L HN 0.403 nan 8.230 nan 0.000 0.473 498 P HA 0.028 nan 4.420 nan 0.000 0.264 498 P C -1.037 176.284 177.300 0.034 0.000 1.193 498 P CA 0.062 63.090 63.100 -0.119 0.000 0.763 498 P CB 0.767 32.122 31.700 -0.574 0.000 0.810 499 S N 1.634 117.130 115.700 -0.340 0.000 2.564 499 S HA 0.826 5.298 4.470 0.003 0.000 0.274 499 S C -0.675 172.967 174.600 -1.596 0.000 1.124 499 S CA -0.881 56.792 58.200 -0.878 0.000 0.869 499 S CB 1.874 64.797 63.200 -0.462 0.000 1.105 499 S HN 0.448 nan 8.310 nan 0.000 0.472 500 G N 0.974 108.398 108.800 -2.293 0.000 2.702 500 G HA2 0.636 4.598 3.960 0.003 0.000 0.295 500 G HA3 0.636 4.598 3.960 0.003 0.000 0.295 500 G C -1.167 173.205 174.900 -0.880 0.000 1.446 500 G CA -0.664 43.597 45.100 -1.398 0.000 0.983 500 G HN 0.868 nan 8.290 nan 0.000 0.520 501 T N 1.716 115.963 114.554 -0.513 0.000 3.041 501 T HA 0.378 4.730 4.350 0.003 0.000 0.321 501 T C -1.090 173.434 174.700 -0.292 0.000 1.184 501 T CA -0.613 61.200 62.100 -0.478 0.000 1.050 501 T CB 1.988 70.515 68.868 -0.568 0.000 1.159 501 T HN 0.529 nan 8.240 nan 0.000 0.469 502 L N 2.858 123.896 121.223 -0.308 0.000 2.305 502 L HA 0.697 5.039 4.340 0.003 0.000 0.281 502 L C -1.508 175.115 176.870 -0.412 0.000 1.085 502 L CA -0.348 54.361 54.840 -0.219 0.000 0.813 502 L CB -0.093 41.879 42.059 -0.144 0.000 1.157 502 L HN 0.624 nan 8.230 nan 0.000 0.436 503 F N 4.682 124.464 119.950 -0.281 0.000 2.347 503 F HA 0.463 4.991 4.527 0.002 0.000 0.366 503 F C 0.458 176.104 175.800 -0.257 0.000 1.107 503 F CA -0.733 57.077 58.000 -0.317 0.000 1.058 503 F CB 0.978 39.511 39.000 -0.780 0.000 1.236 503 F HN 0.393 nan 8.300 nan 0.000 0.456 504 K N 1.718 122.122 120.400 0.006 0.000 2.219 504 K HA 0.106 4.428 4.320 0.003 0.000 0.258 504 K C 0.121 176.787 176.600 0.110 0.000 1.008 504 K CA -0.717 55.591 56.287 0.036 0.000 0.928 504 K CB 0.624 33.141 32.500 0.028 0.000 0.983 504 K HN 0.599 nan 8.250 nan 0.000 0.484 505 Q N 0.530 120.393 119.800 0.105 0.000 2.308 505 Q HA -0.092 4.250 4.340 0.003 0.000 0.313 505 Q C 0.613 176.686 176.000 0.122 0.000 1.075 505 Q CA 1.339 57.223 55.803 0.135 0.000 0.995 505 Q CB -0.001 28.792 28.738 0.091 0.000 1.107 505 Q HN 0.847 nan 8.270 nan 0.000 0.380 506 G N 3.060 111.941 108.800 0.136 0.000 2.217 506 G HA2 -0.258 3.704 3.960 0.003 0.000 0.246 506 G HA3 -0.258 3.704 3.960 0.003 0.000 0.246 506 G C -0.120 174.855 174.900 0.125 0.000 0.990 506 G CA 0.273 45.431 45.100 0.095 0.000 0.627 506 G HN 0.652 nan 8.290 nan 0.000 0.522 507 E N 0.429 120.753 120.200 0.208 0.000 2.314 507 E HA 0.583 4.935 4.350 0.003 0.000 0.262 507 E C -0.352 176.488 176.600 0.400 0.000 1.093 507 E CA 0.037 56.594 56.400 0.261 0.000 0.908 507 E CB 0.952 30.797 29.700 0.243 0.000 1.091 507 E HN 0.137 nan 8.360 nan 0.000 0.425 508 T N 1.365 116.147 114.554 0.381 0.000 2.876 508 T HA 0.384 4.736 4.350 0.003 0.000 0.289 508 T C -0.742 174.235 174.700 0.461 0.000 1.014 508 T CA -0.649 61.640 62.100 0.314 0.000 0.986 508 T CB 0.872 69.826 68.868 0.144 0.000 1.021 508 T HN 0.272 nan 8.240 nan 0.000 0.458 509 L N 2.553 123.971 121.223 0.325 0.000 2.309 509 L HA 0.656 4.998 4.340 0.003 0.000 0.282 509 L C -0.234 176.724 176.870 0.147 0.000 1.036 509 L CA -0.436 54.543 54.840 0.231 0.000 0.806 509 L CB 1.061 43.059 42.059 -0.102 0.000 1.220 509 L HN 0.656 nan 8.230 nan 0.000 0.429 510 E N 3.833 124.130 120.200 0.162 0.000 2.224 510 E HA 0.381 4.733 4.350 0.003 0.000 0.265 510 E C -1.654 175.013 176.600 0.112 0.000 0.878 510 E CA -0.771 55.703 56.400 0.123 0.000 0.759 510 E CB 2.185 31.946 29.700 0.102 0.000 1.164 510 E HN 0.484 nan 8.360 nan 0.000 0.414 511 V N 4.469 124.465 119.914 0.136 0.000 2.465 511 V HA 0.300 4.422 4.120 0.003 0.000 0.279 511 V C -0.188 176.003 176.094 0.162 0.000 1.045 511 V CA -0.469 61.915 62.300 0.139 0.000 0.938 511 V CB 1.500 33.426 31.823 0.172 0.000 0.986 511 V HN 0.481 nan 8.190 nan 0.000 0.467 512 V N 5.491 125.457 119.914 0.086 0.000 2.604 512 V HA 0.584 4.706 4.120 0.003 0.000 0.305 512 V C -0.406 175.705 176.094 0.029 0.000 1.043 512 V CA -0.572 61.750 62.300 0.036 0.000 0.888 512 V CB 2.114 33.926 31.823 -0.018 0.000 0.995 512 V HN 0.585 nan 8.190 nan 0.000 0.429 513 V N 4.256 124.176 119.914 0.011 0.000 2.656 513 V HA 0.706 4.828 4.120 0.003 0.000 0.307 513 V C -0.287 175.627 176.094 -0.299 0.000 1.051 513 V CA -0.687 61.605 62.300 -0.014 0.000 0.893 513 V CB 1.899 33.814 31.823 0.154 0.000 0.999 513 V HN 0.931 nan 8.190 nan 0.000 0.426 514 K N 1.698 121.949 120.400 -0.248 0.000 2.579 514 K HA 0.568 4.890 4.320 0.003 0.000 0.284 514 K C 0.629 177.204 176.600 -0.042 0.000 0.990 514 K CA -0.155 55.863 56.287 -0.448 0.000 0.880 514 K CB 2.120 34.467 32.500 -0.255 0.000 1.488 514 K HN 0.723 nan 8.250 nan 0.000 0.425 515 G N 0.293 109.074 108.800 -0.031 0.000 3.141 515 G HA2 0.145 4.107 3.960 0.003 0.000 0.218 515 G HA3 0.145 4.107 3.960 0.003 0.000 0.218 515 G C -0.255 174.547 174.900 -0.163 0.000 1.170 515 G CA 0.538 45.729 45.100 0.152 0.000 0.769 515 G HN 0.561 nan 8.290 nan 0.000 0.546 516 S N -1.398 113.918 115.700 -0.640 0.000 2.672 516 S HA 0.492 4.964 4.470 0.003 0.000 0.271 516 S C -1.137 172.766 174.600 -1.161 0.000 1.171 516 S CA -0.862 56.609 58.200 -1.214 0.000 0.817 516 S CB 1.794 64.721 63.200 -0.456 0.000 1.150 516 S HN -0.060 nan 8.310 nan 0.000 0.478 517 E N 0.332 120.103 120.200 -0.715 0.000 2.502 517 E HA 0.171 4.523 4.350 0.003 0.000 0.261 517 E C 0.599 177.172 176.600 -0.045 0.000 0.974 517 E CA 0.404 56.752 56.400 -0.087 0.000 0.936 517 E CB 0.036 29.858 29.700 0.204 0.000 0.926 517 E HN 0.547 nan 8.360 nan 0.000 0.459 518 I N 2.592 123.194 120.570 0.053 0.000 2.235 518 I HA -0.096 4.076 4.170 0.003 0.000 0.241 518 I C 0.371 176.514 176.117 0.044 0.000 1.085 518 I CA 0.403 61.712 61.300 0.015 0.000 1.378 518 I CB 0.132 38.135 38.000 0.005 0.000 1.076 518 I HN 0.237 nan 8.210 nan 0.000 0.415 519 V N 4.097 124.075 119.914 0.106 0.000 2.432 519 V HA 0.236 4.358 4.120 0.003 0.000 0.275 519 V C 0.149 176.310 176.094 0.110 0.000 1.043 519 V CA -0.519 61.843 62.300 0.104 0.000 0.925 519 V CB 0.945 32.850 31.823 0.136 0.000 0.985 519 V HN 0.140 nan 8.190 nan 0.000 0.466 520 I N 2.248 122.856 120.570 0.062 0.000 2.793 520 I HA 1.007 5.179 4.170 0.003 0.000 0.313 520 I C 0.537 176.675 176.117 0.035 0.000 0.998 520 I CA -0.165 61.166 61.300 0.052 0.000 1.140 520 I CB 1.555 39.567 38.000 0.021 0.000 1.327 520 I HN 0.878 nan 8.210 nan 0.000 0.491 521 G N 3.295 112.109 108.800 0.022 0.000 2.796 521 G HA2 -0.118 3.844 3.960 0.003 0.000 0.571 521 G HA3 -0.118 3.844 3.960 0.003 0.000 0.571 521 G C -1.089 173.792 174.900 -0.031 0.000 1.370 521 G CA -0.019 45.076 45.100 -0.008 0.000 0.856 521 G HN 1.503 nan 8.290 nan 0.000 0.538 522 N N -2.915 115.749 118.700 -0.059 0.000 3.278 522 N HA 0.701 5.443 4.740 0.003 0.000 0.307 522 N C 0.602 176.076 175.510 -0.061 0.000 1.551 522 N CA 0.286 53.283 53.050 -0.090 0.000 0.794 522 N CB 0.812 39.198 38.487 -0.169 0.000 1.770 522 N HN 1.302 nan 8.380 nan 0.000 0.612 523 S N -2.591 113.077 115.700 -0.053 0.000 2.572 523 S HA 0.205 4.676 4.470 0.003 0.000 0.228 523 S C -0.117 174.413 174.600 -0.116 0.000 0.963 523 S CA 0.194 58.411 58.200 0.029 0.000 0.939 523 S CB -1.160 62.207 63.200 0.279 0.000 0.804 523 S HN 0.903 nan 8.310 nan 0.000 0.480 524 T N -0.319 114.065 114.554 -0.283 0.000 3.428 524 T HA 0.456 4.808 4.350 0.003 0.000 0.301 524 T C -3.289 171.260 174.700 -0.252 0.000 1.323 524 T CA -1.713 60.164 62.100 -0.370 0.000 1.647 524 T CB 0.417 68.854 68.868 -0.719 0.000 0.871 524 T HN -0.096 nan 8.240 nan 0.000 0.627 525 P HA 0.413 nan 4.420 nan 0.000 0.261 525 P C 1.030 178.259 177.300 -0.118 0.000 1.173 525 P CA 1.388 64.419 63.100 -0.115 0.000 0.760 525 P CB 0.042 31.698 31.700 -0.073 0.000 0.783 529 T N -2.277 111.868 114.554 -0.681 0.000 3.055 529 T HA 0.013 4.365 4.350 0.003 0.000 0.265 529 T C 0.948 175.565 174.700 -0.139 0.000 1.111 529 T CA 0.344 62.190 62.100 -0.423 0.000 1.118 529 T CB 0.287 68.767 68.868 -0.647 0.000 0.909 529 T HN 0.252 nan 8.240 nan 0.000 0.501 530 R N 0.678 121.039 120.500 -0.232 0.000 2.573 530 R HA 0.437 4.779 4.340 0.003 0.000 0.272 530 R C -0.503 175.829 176.300 0.054 0.000 1.009 530 R CA -1.139 54.773 56.100 -0.314 0.000 1.059 530 R CB 0.583 30.633 30.300 -0.416 0.000 1.112 530 R HN 0.404 nan 8.270 nan 0.000 0.517 531 Y N -0.049 120.510 120.300 0.432 0.000 2.788 531 Y HA 0.141 4.692 4.550 0.002 0.000 0.341 531 Y C -0.547 175.396 175.900 0.072 0.000 1.258 531 Y CA -0.201 58.051 58.100 0.253 0.000 1.503 531 Y CB 0.150 38.721 38.460 0.185 0.000 1.325 531 Y HN 0.485 nan 8.280 nan 0.000 0.614 532 E N 0.776 121.037 120.200 0.103 0.000 2.393 532 E HA 0.365 4.717 4.350 0.003 0.000 0.273 532 E C -1.640 174.789 176.600 -0.285 0.000 0.918 532 E CA -1.138 55.291 56.400 0.049 0.000 0.773 532 E CB 1.659 31.408 29.700 0.082 0.000 1.275 532 E HN 0.777 nan 8.360 nan 0.000 0.451 533 H N 0.719 119.959 119.070 0.283 0.000 2.439 533 H HA 0.160 4.718 4.556 0.003 0.000 0.228 533 H C -0.382 175.082 175.328 0.226 0.000 1.423 533 H CA -0.176 56.031 56.048 0.265 0.000 1.386 533 H CB 0.630 30.648 29.762 0.426 0.000 1.641 533 H HN 0.338 nan 8.280 nan 0.000 0.508 534 E N 0.712 121.032 120.200 0.200 0.000 2.489 534 E HA 0.008 4.359 4.350 0.003 0.000 0.193 534 E C -0.198 176.486 176.600 0.141 0.000 1.057 534 E CA 0.276 56.767 56.400 0.151 0.000 0.866 534 E CB 0.533 30.293 29.700 0.100 0.000 0.916 534 E HN 0.650 nan 8.360 nan 0.000 0.500 535 E N 1.236 121.529 120.200 0.156 0.000 2.070 535 E HA 0.166 4.518 4.350 0.003 0.000 0.261 535 E C -0.618 176.081 176.600 0.166 0.000 0.926 535 E CA -0.129 56.354 56.400 0.137 0.000 0.760 535 E CB 1.313 31.081 29.700 0.115 0.000 1.133 535 E HN -0.176 nan 8.360 nan 0.000 0.420 536 T N 0.588 115.241 114.554 0.165 0.000 2.885 536 T HA 0.228 4.580 4.350 0.003 0.000 0.285 536 T C 0.957 175.748 174.700 0.152 0.000 1.019 536 T CA -0.769 61.445 62.100 0.190 0.000 1.010 536 T CB 1.371 70.371 68.868 0.220 0.000 1.022 536 T HN 0.239 nan 8.240 nan 0.000 0.466 537 V N 1.438 121.445 119.914 0.155 0.000 3.623 537 V HA 0.360 4.482 4.120 0.003 0.000 0.271 537 V C 0.734 176.922 176.094 0.157 0.000 1.248 537 V CA -0.261 62.121 62.300 0.136 0.000 1.156 537 V CB -0.974 30.921 31.823 0.120 0.000 0.870 537 V HN 0.639 nan 8.190 nan 0.000 0.453 538 N N 3.304 122.120 118.700 0.193 0.000 2.454 538 N HA 0.287 5.029 4.740 0.003 0.000 0.260 538 N C -0.404 175.185 175.510 0.133 0.000 1.218 538 N CA 0.605 53.783 53.050 0.213 0.000 0.904 538 N CB 0.840 39.441 38.487 0.192 0.000 1.065 538 N HN 0.618 nan 8.380 nan 0.000 0.462 539 K N 1.167 121.647 120.400 0.133 0.000 2.553 539 K HA 0.475 4.797 4.320 0.003 0.000 0.250 539 K C -0.230 176.412 176.600 0.070 0.000 0.953 539 K CA -0.441 55.894 56.287 0.080 0.000 0.800 539 K CB 0.967 33.512 32.500 0.075 0.000 1.243 539 K HN 0.674 nan 8.250 nan 0.000 0.435 545 Y N 4.123 124.429 120.300 0.010 0.000 2.342 545 Y HA 0.679 5.231 4.550 0.003 0.000 0.334 545 Y C 1.002 176.941 175.900 0.065 0.000 1.067 545 Y CA -0.495 57.541 58.100 -0.105 0.000 1.128 545 Y CB 2.054 40.122 38.460 -0.653 0.000 1.200 545 Y HN 0.589 nan 8.280 nan 0.000 0.464 546 T N -0.342 114.365 114.554 0.255 0.000 2.903 546 T HA 0.841 5.193 4.350 0.003 0.000 0.299 546 T C -0.115 174.739 174.700 0.256 0.000 1.093 546 T CA -0.430 61.818 62.100 0.246 0.000 1.002 546 T CB 1.649 70.623 68.868 0.177 0.000 1.127 546 T HN 1.399 nan 8.240 nan 0.000 0.488 547 G N -0.316 108.592 108.800 0.179 0.000 2.712 547 G HA2 0.408 4.369 3.960 0.003 0.000 0.686 547 G HA3 0.408 4.369 3.960 0.003 0.000 0.686 547 G C 0.556 175.455 174.900 -0.002 0.000 1.321 547 G CA 0.239 45.400 45.100 0.101 0.000 0.813 547 G HN 2.586 nan 8.290 nan 0.000 0.599 548 G N 1.039 109.790 108.800 -0.081 0.000 2.583 548 G HA2 -0.167 3.795 3.960 0.003 0.000 0.292 548 G HA3 -0.167 3.795 3.960 0.003 0.000 0.292 548 G C 1.442 176.156 174.900 -0.310 0.000 1.203 548 G CA 1.893 46.879 45.100 -0.191 0.000 0.987 548 G HN 2.342 nan 8.290 nan 0.000 0.554 549 K N -0.360 119.720 120.400 -0.534 0.000 2.362 549 K HA 0.012 4.334 4.320 0.003 0.000 0.200 549 K C 0.620 176.666 176.600 -0.924 0.000 1.046 549 K CA 1.627 57.504 56.287 -0.684 0.000 0.952 549 K CB -0.036 31.972 32.500 -0.819 0.000 0.753 549 K HN 0.457 nan 8.250 nan 0.000 0.466 550 Y N 3.706 123.633 120.300 -0.621 0.000 2.736 550 Y HA 0.081 4.633 4.550 0.003 0.000 0.339 550 Y C -0.320 175.438 175.900 -0.237 0.000 1.301 550 Y CA -1.870 55.669 58.100 -0.934 0.000 1.676 550 Y CB -0.309 37.868 38.460 -0.470 0.000 1.725 550 Y HN 0.200 nan 8.280 nan 0.000 0.466 551 D N -0.893 119.593 120.400 0.143 0.000 2.885 551 D HA -0.010 4.632 4.640 0.003 0.000 0.234 551 D C -0.152 176.420 176.300 0.454 0.000 1.129 551 D CA -0.106 54.088 54.000 0.323 0.000 0.991 551 D CB -0.250 40.720 40.800 0.284 0.000 1.137 551 D HN 0.052 nan 8.370 nan 0.000 0.459 552 S N 1.143 117.109 115.700 0.443 0.000 2.544 552 S HA 0.185 4.656 4.470 0.003 0.000 0.290 552 S C 0.317 174.994 174.600 0.129 0.000 1.276 552 S CA -0.236 58.132 58.200 0.279 0.000 1.075 552 S CB 0.329 63.652 63.200 0.205 0.000 0.849 552 S HN 0.643 nan 8.310 nan 0.000 0.494 553 Q N 1.552 121.353 119.800 0.002 0.000 2.522 553 Q HA 0.628 4.970 4.340 0.003 0.000 0.285 553 Q C -1.878 174.014 176.000 -0.180 0.000 0.982 553 Q CA -1.108 54.603 55.803 -0.154 0.000 0.805 553 Q CB 1.061 29.637 28.738 -0.271 0.000 1.457 553 Q HN 0.430 nan 8.270 nan 0.000 0.394 554 L N 2.137 123.220 121.223 -0.233 0.000 2.287 554 L HA 0.481 4.823 4.340 0.003 0.000 0.287 554 L C -1.282 175.464 176.870 -0.207 0.000 1.022 554 L CA -0.729 53.996 54.840 -0.191 0.000 0.814 554 L CB 1.337 43.293 42.059 -0.171 0.000 1.217 554 L HN 0.645 nan 8.230 nan 0.000 0.420 555 I N 6.711 127.186 120.570 -0.157 0.000 2.352 555 I HA 0.273 4.445 4.170 0.003 0.000 0.290 555 I C 0.218 176.289 176.117 -0.078 0.000 1.036 555 I CA -0.170 61.058 61.300 -0.120 0.000 1.336 555 I CB 0.735 38.675 38.000 -0.100 0.000 1.407 555 I HN 0.602 nan 8.210 nan 0.000 0.497 556 I N 6.280 126.811 120.570 -0.066 0.000 2.530 556 I HA 0.571 4.742 4.170 0.003 0.000 0.297 556 I C -2.589 173.522 176.117 -0.010 0.000 1.011 556 I CA -2.236 59.030 61.300 -0.058 0.000 1.107 556 I CB 2.546 40.477 38.000 -0.115 0.000 1.285 556 I HN 0.261 nan 8.210 nan 0.000 0.436 557 P HA 0.393 nan 4.420 nan 0.000 0.245 557 P C -0.442 176.751 177.300 -0.178 0.000 1.740 557 P CA -0.065 62.970 63.100 -0.109 0.000 1.125 557 P CB 0.380 32.065 31.700 -0.026 0.000 1.747 558 I N 3.932 124.389 120.570 -0.188 0.000 2.416 558 I HA 0.170 4.342 4.170 0.003 0.000 0.288 558 I C 1.077 177.099 176.117 -0.158 0.000 1.051 558 I CA -0.376 60.843 61.300 -0.134 0.000 1.375 558 I CB 1.099 39.047 38.000 -0.086 0.000 1.407 558 I HN 0.132 nan 8.210 nan 0.000 0.516 559 V N 3.375 123.224 119.914 -0.109 0.000 3.126 559 V HA 0.688 4.810 4.120 0.003 0.000 0.314 559 V C -0.248 175.829 176.094 -0.029 0.000 1.138 559 V CA -0.849 61.400 62.300 -0.085 0.000 1.034 559 V CB 1.743 33.516 31.823 -0.083 0.000 1.075 559 V HN 0.922 nan 8.190 nan 0.000 0.442 560 N N 0.000 118.698 118.700 -0.004 0.000 1.763 560 N HA 0.000 4.742 4.740 0.003 0.000 0.220 560 N CA 0.000 53.064 53.050 0.024 0.000 0.885 560 N CB 0.000 38.520 38.487 0.054 0.000 1.341 560 N HN 0.000 nan 8.380 nan 0.000 0.667