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 2o8b_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAVQPKETLQ LESAAEVGFV RFFQGMPEKP TTTVRLFDRG DFYTAHGEDA DATA SEQUENCE LLAAREVFKT QGVIKYMGPA GAKNLQSVVL SKMNFESFVK DLLLVRQYRV DATA SEQUENCE EVYKNRAGXX XSKENDWYLA YKASPGNLSQ FEDILFGNNX XXXXIGVVGV DATA SEQUENCE KMSAVDGQRQ VGVGYVDSIQ RKLGLCEFPD NDQFSNLEAL LIQIGPKECV DATA SEQUENCE LPGGETAGDM GKLRQIIQRG GILITERKKA DFSTKDIYQD LNRXXXGKKG DATA SEQUENCE EQMNSAVLPE MENQVAVSSL SAVIKFLELL SDDSNFGQFE LTTFDFSQYM DATA SEQUENCE KLDIAAVRAL NLFQGSXXXX TGSQSLAALL NKCKTPQGQR LVNQWIKQPL DATA SEQUENCE MDKNRIEERL NLVEAFVEDA ELRQTLQEDL LRRFPDLNRL AKKFQRQAAN DATA SEQUENCE LQDCYRLYQG INQLPNVIQA LEKHEGKHQK LLLAVFVTPL TDLRSDFSKF DATA SEQUENCE QEMIETTLDM DQVENHEFLV KPSFDPNLSE LREIMNDLEK KMQSTLISAA DATA SEQUENCE RDLGLDPGKQ IKLDSSAQFG YYFRVTCKEE KVLRNNKNFS TVDIQKNGVK DATA SEQUENCE FTNSKLTSLN EEYTKNKTEY EEAQDAIVKE IVNISSGYVE PMQTLNDVLA DATA SEQUENCE QLDAVVSFAH VSNGAPVPYV RPAILEKGQG RIILKASRHA CVEVQDEIAF DATA SEQUENCE IPNDVYFEKD KQMFHIITGP NMGGKSTYIR QTGVIVLMAQ IGCFVPCESA DATA SEQUENCE EVSIVDCILA RVGXXXXXXX XXSTFMAEML ETASILRSAT KDSLIIIDEL DATA SEQUENCE GRGTSTYDGF GLAWAISEYI ATKIGAFCMF ATHFHELTAL ANQIPTVNNL DATA SEQUENCE HVTALTTEET LTMLYQVKKG VCDQSFGIHV AELANFPKHV IECAKQKALE DATA SEQUENCE LEEFQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.312 55.300 0.019 0.000 0.988 1 M CB 0.000 32.641 32.600 0.068 0.000 1.302 2 A N 0.348 123.165 122.820 -0.004 0.000 2.420 2 A HA 0.171 4.489 4.320 -0.002 0.000 0.680 2 A C -0.241 177.406 177.584 0.105 0.000 0.159 2 A CA -0.038 51.986 52.037 -0.021 0.000 0.078 2 A CB -1.706 17.173 19.000 -0.203 0.000 3.939 2 A HN 1.115 nan 8.150 nan 0.000 0.543 3 V N 4.715 124.682 119.914 0.088 0.000 2.583 3 V HA -0.050 4.069 4.120 -0.002 0.000 0.302 3 V C 1.331 177.543 176.094 0.196 0.000 1.033 3 V CA 1.368 63.732 62.300 0.107 0.000 1.194 3 V CB 0.037 31.900 31.823 0.066 0.000 0.879 3 V HN 0.866 nan 8.190 nan 0.000 0.482 4 Q N 7.014 126.906 119.800 0.154 0.000 2.337 4 Q HA 0.216 4.555 4.340 -0.002 0.000 0.270 4 Q C -1.885 174.123 176.000 0.013 0.000 1.002 4 Q CA -1.302 54.533 55.803 0.054 0.000 0.888 4 Q CB 0.474 29.115 28.738 -0.161 0.000 1.222 4 Q HN 0.581 nan 8.270 nan 0.000 0.400 5 P HA -0.031 nan 4.420 nan 0.000 0.271 5 P C -0.552 176.694 177.300 -0.089 0.000 1.233 5 P CA 0.058 63.147 63.100 -0.020 0.000 0.789 5 P CB 0.850 32.535 31.700 -0.023 0.000 0.951 6 K N -0.135 120.218 120.400 -0.079 0.000 2.186 6 K HA -0.007 4.311 4.320 -0.002 0.000 0.202 6 K C 0.378 176.882 176.600 -0.161 0.000 1.052 6 K CA 0.766 56.995 56.287 -0.095 0.000 0.965 6 K CB -0.073 32.391 32.500 -0.059 0.000 0.746 6 K HN 0.485 nan 8.250 nan 0.000 0.457 7 E N 1.629 121.686 120.200 -0.238 0.000 2.398 7 E HA 0.025 4.374 4.350 -0.002 0.000 0.263 7 E C -0.191 176.101 176.600 -0.514 0.000 1.046 7 E CA 0.185 56.330 56.400 -0.425 0.000 0.908 7 E CB 0.836 30.098 29.700 -0.730 0.000 0.963 7 E HN 0.165 nan 8.360 nan 0.000 0.431 8 T N -0.081 114.202 114.554 -0.452 0.000 2.848 8 T HA 0.424 4.773 4.350 -0.002 0.000 0.285 8 T C -0.580 173.952 174.700 -0.279 0.000 0.995 8 T CA -1.118 60.779 62.100 -0.338 0.000 0.970 8 T CB 0.728 69.486 68.868 -0.183 0.000 0.976 8 T HN 0.284 nan 8.240 nan 0.000 0.441 9 L N 3.038 124.158 121.223 -0.172 0.000 2.500 9 L HA 0.339 4.677 4.340 -0.002 0.000 0.272 9 L C -0.189 176.702 176.870 0.036 0.000 1.149 9 L CA 0.828 55.721 54.840 0.088 0.000 0.897 9 L CB -0.151 41.989 42.059 0.134 0.000 1.178 9 L HN 0.792 nan 8.230 nan 0.000 0.473 10 Q N 6.230 126.070 119.800 0.067 0.000 2.414 10 Q HA 0.523 4.862 4.340 -0.002 0.000 0.256 10 Q C -1.306 174.715 176.000 0.035 0.000 0.974 10 Q CA -0.326 55.495 55.803 0.030 0.000 0.723 10 Q CB 1.641 30.386 28.738 0.011 0.000 1.281 10 Q HN 0.654 nan 8.270 nan 0.000 0.470 11 L N 0.494 121.732 121.223 0.025 0.000 2.256 11 L HA 0.532 4.871 4.340 -0.002 0.000 0.261 11 L C 0.340 177.223 176.870 0.021 0.000 1.022 11 L CA -1.093 53.760 54.840 0.022 0.000 0.828 11 L CB 1.658 43.728 42.059 0.019 0.000 1.374 11 L HN 0.484 nan 8.230 nan 0.000 0.436 12 E N -0.364 119.849 120.200 0.022 0.000 2.405 12 E HA 0.061 4.410 4.350 -0.002 0.000 0.253 12 E C 0.817 177.435 176.600 0.029 0.000 1.257 12 E CA 0.208 56.621 56.400 0.022 0.000 0.960 12 E CB 0.643 30.355 29.700 0.020 0.000 1.077 12 E HN 0.680 nan 8.360 nan 0.000 0.512 13 S N 0.256 115.973 115.700 0.028 0.000 2.368 13 S HA -0.211 4.258 4.470 -0.002 0.000 0.225 13 S C 2.017 176.641 174.600 0.042 0.000 1.030 13 S CA 0.975 59.196 58.200 0.033 0.000 0.999 13 S CB -0.463 62.754 63.200 0.028 0.000 0.844 13 S HN 0.558 nan 8.310 nan 0.000 0.459 14 A N 2.275 125.118 122.820 0.038 0.000 1.877 14 A HA 0.313 4.632 4.320 -0.002 0.000 0.216 14 A C 2.559 180.178 177.584 0.058 0.000 1.186 14 A CA 1.829 53.892 52.037 0.044 0.000 0.620 14 A CB -1.503 17.518 19.000 0.035 0.000 0.822 14 A HN 0.893 nan 8.150 nan 0.000 0.443 15 A N -0.504 122.348 122.820 0.054 0.000 1.969 15 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 15 A C 2.000 179.643 177.584 0.098 0.000 1.169 15 A CA 1.744 53.823 52.037 0.069 0.000 0.635 15 A CB -0.462 18.565 19.000 0.045 0.000 0.810 15 A HN 0.697 nan 8.150 nan 0.000 0.445 16 E N -0.161 120.085 120.200 0.078 0.000 2.028 16 E HA -0.134 4.215 4.350 -0.002 0.000 0.191 16 E C 1.864 178.539 176.600 0.126 0.000 0.988 16 E CA 1.538 57.990 56.400 0.087 0.000 0.799 16 E CB -0.168 29.567 29.700 0.060 0.000 0.755 16 E HN 0.254 nan 8.360 nan 0.000 0.447 17 V N 0.933 120.906 119.914 0.097 0.000 2.287 17 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 17 V C 2.421 178.581 176.094 0.110 0.000 1.053 17 V CA 1.990 64.345 62.300 0.091 0.000 1.027 17 V CB -1.129 30.734 31.823 0.067 0.000 0.646 17 V HN 0.573 nan 8.190 nan 0.000 0.447 18 G N -0.833 108.041 108.800 0.123 0.000 2.513 18 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.219 18 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.219 18 G C 1.575 176.590 174.900 0.192 0.000 1.160 18 G CA 1.292 46.478 45.100 0.144 0.000 0.767 18 G HN 0.511 nan 8.290 nan 0.000 0.571 19 F N 1.138 121.123 119.950 0.057 0.000 2.146 19 F HA -0.050 4.476 4.527 -0.002 0.000 0.298 19 F C 2.721 178.523 175.800 0.004 0.000 1.096 19 F CA 1.339 59.342 58.000 0.005 0.000 1.275 19 F CB -0.240 38.684 39.000 -0.127 0.000 1.008 19 F HN 0.009 nan 8.300 nan 0.000 0.480 20 V N 1.103 121.044 119.914 0.044 0.000 2.287 20 V HA -0.325 3.793 4.120 -0.002 0.000 0.248 20 V C 2.636 178.711 176.094 -0.033 0.000 1.053 20 V CA 2.084 64.374 62.300 -0.017 0.000 1.027 20 V CB -0.704 31.158 31.823 0.065 0.000 0.646 20 V HN 0.258 nan 8.190 nan 0.000 0.447 21 R N -0.894 119.613 120.500 0.011 0.000 2.092 21 R HA -0.091 4.247 4.340 -0.002 0.000 0.231 21 R C 2.122 178.406 176.300 -0.027 0.000 1.119 21 R CA 1.519 57.623 56.100 0.007 0.000 0.970 21 R CB -1.168 29.154 30.300 0.037 0.000 0.864 21 R HN 0.581 nan 8.270 nan 0.000 0.440 22 F N 0.624 120.476 119.950 -0.164 0.000 2.095 22 F HA -0.241 4.285 4.527 -0.002 0.000 0.298 22 F C 2.132 177.755 175.800 -0.295 0.000 1.104 22 F CA 1.388 59.271 58.000 -0.196 0.000 1.232 22 F CB -0.467 38.422 39.000 -0.184 0.000 0.987 22 F HN -0.035 nan 8.300 nan 0.000 0.475 23 F N 1.278 120.933 119.950 -0.492 0.000 2.216 23 F HA -0.206 4.319 4.527 -0.002 0.000 0.300 23 F C 2.380 177.982 175.800 -0.331 0.000 1.085 23 F CA 1.839 59.519 58.000 -0.532 0.000 1.326 23 F CB -0.591 37.974 39.000 -0.725 0.000 1.027 23 F HN 0.090 nan 8.300 nan 0.000 0.497 24 Q N -0.681 119.002 119.800 -0.196 0.000 2.119 24 Q HA -0.075 4.264 4.340 -0.002 0.000 0.201 24 Q C 2.090 177.933 176.000 -0.261 0.000 0.972 24 Q CA 1.212 56.904 55.803 -0.185 0.000 0.847 24 Q CB -0.618 28.074 28.738 -0.076 0.000 0.903 24 Q HN 0.483 nan 8.270 nan 0.000 0.433 25 G N -0.270 108.347 108.800 -0.305 0.000 3.314 25 G HA2 0.193 4.152 3.960 -0.002 0.000 0.238 25 G HA3 0.193 4.152 3.960 -0.002 0.000 0.238 25 G C 0.221 174.873 174.900 -0.413 0.000 1.184 25 G CA -0.286 44.631 45.100 -0.305 0.000 0.806 25 G HN 0.073 nan 8.290 nan 0.000 0.536 26 M N 0.790 120.083 119.600 -0.511 0.000 2.255 26 M HA 0.260 4.738 4.480 -0.002 0.000 0.336 26 M C -2.019 174.108 176.300 -0.288 0.000 1.135 26 M CA -1.525 53.486 55.300 -0.481 0.000 1.145 26 M CB 0.666 32.942 32.600 -0.540 0.000 1.473 26 M HN -0.162 nan 8.290 nan 0.000 0.462 27 P HA -0.023 nan 4.420 nan 0.000 0.266 27 P C -0.728 176.513 177.300 -0.099 0.000 1.195 27 P CA 0.001 63.039 63.100 -0.104 0.000 0.768 27 P CB 0.314 31.990 31.700 -0.039 0.000 0.838 28 E N 2.226 122.380 120.200 -0.076 0.000 2.568 28 E HA -0.117 4.231 4.350 -0.002 0.000 0.262 28 E C -0.041 176.541 176.600 -0.031 0.000 0.961 28 E CA 0.368 56.731 56.400 -0.061 0.000 0.945 28 E CB 0.311 29.988 29.700 -0.038 0.000 0.924 28 E HN 0.218 nan 8.360 nan 0.000 0.467 29 K N 5.510 125.894 120.400 -0.027 0.000 2.244 29 K HA 0.406 4.725 4.320 -0.002 0.000 0.260 29 K C -2.486 174.137 176.600 0.037 0.000 0.951 29 K CA -1.994 54.303 56.287 0.016 0.000 0.826 29 K CB 1.157 33.667 32.500 0.017 0.000 1.108 29 K HN 0.261 nan 8.250 nan 0.000 0.433 30 P HA 0.054 nan 4.420 nan 0.000 0.272 30 P C 0.348 177.693 177.300 0.075 0.000 1.223 30 P CA -0.440 62.688 63.100 0.047 0.000 0.784 30 P CB 0.912 32.635 31.700 0.038 0.000 0.923 31 T N -3.588 111.004 114.554 0.063 0.000 3.035 31 T HA -0.104 4.244 4.350 -0.002 0.000 0.268 31 T C 1.131 175.909 174.700 0.129 0.000 1.109 31 T CA 1.350 63.511 62.100 0.103 0.000 1.119 31 T CB -1.136 67.777 68.868 0.075 0.000 0.900 31 T HN 0.520 nan 8.240 nan 0.000 0.503 32 T N 0.446 115.010 114.554 0.018 0.000 3.206 32 T HA 0.282 4.631 4.350 -0.002 0.000 0.253 32 T C 0.566 175.326 174.700 0.100 0.000 1.042 32 T CA -0.116 61.891 62.100 -0.155 0.000 0.931 32 T CB -0.565 68.156 68.868 -0.245 0.000 1.029 32 T HN 0.611 nan 8.240 nan 0.000 0.564 33 T N -0.895 113.795 114.554 0.228 0.000 2.893 33 T HA 0.722 5.071 4.350 -0.002 0.000 0.291 33 T C -0.884 173.961 174.700 0.241 0.000 1.028 33 T CA -0.765 61.468 62.100 0.222 0.000 0.995 33 T CB 2.060 71.019 68.868 0.153 0.000 1.051 33 T HN 0.009 nan 8.240 nan 0.000 0.470 34 V N 2.454 122.471 119.914 0.170 0.000 2.531 34 V HA 0.550 4.669 4.120 -0.002 0.000 0.301 34 V C -0.067 176.130 176.094 0.171 0.000 1.034 34 V CA -0.999 61.383 62.300 0.136 0.000 0.865 34 V CB 1.740 33.541 31.823 -0.037 0.000 0.995 34 V HN 0.864 nan 8.190 nan 0.000 0.424 35 R N 4.467 125.125 120.500 0.264 0.000 2.346 35 R HA 0.781 5.120 4.340 -0.002 0.000 0.311 35 R C -1.264 175.212 176.300 0.294 0.000 0.983 35 R CA -0.505 55.772 56.100 0.296 0.000 0.880 35 R CB 1.497 32.025 30.300 0.380 0.000 1.100 35 R HN 0.556 nan 8.270 nan 0.000 0.453 36 L N 3.410 124.743 121.223 0.183 0.000 2.381 36 L HA 0.547 4.885 4.340 -0.002 0.000 0.268 36 L C -1.037 175.901 176.870 0.112 0.000 0.997 36 L CA -0.719 54.298 54.840 0.295 0.000 0.818 36 L CB 1.636 43.948 42.059 0.421 0.000 1.310 36 L HN 0.474 nan 8.230 nan 0.000 0.416 37 F N 0.637 120.816 119.950 0.382 0.000 2.449 37 F HA 0.252 4.778 4.527 -0.002 0.000 0.342 37 F C 0.299 176.216 175.800 0.195 0.000 1.127 37 F CA -0.727 57.429 58.000 0.261 0.000 0.975 37 F CB 1.442 40.418 39.000 -0.040 0.000 1.146 37 F HN 0.358 nan 8.300 nan 0.000 0.444 38 D N 3.615 124.200 120.400 0.309 0.000 2.344 38 D HA 0.077 4.715 4.640 -0.002 0.000 0.253 38 D C 0.802 177.046 176.300 -0.094 0.000 1.255 38 D CA 0.112 54.032 54.000 -0.135 0.000 0.894 38 D CB 0.683 41.429 40.800 -0.091 0.000 1.067 38 D HN 0.427 nan 8.370 nan 0.000 0.492 39 R N 2.445 122.705 120.500 -0.400 0.000 2.334 39 R HA 0.236 4.574 4.340 -0.002 0.000 0.216 39 R C 1.307 177.277 176.300 -0.549 0.000 0.905 39 R CA 0.402 56.199 56.100 -0.504 0.000 1.064 39 R CB 0.533 30.206 30.300 -1.044 0.000 1.046 39 R HN 0.716 nan 8.270 nan 0.000 0.508 40 G N 1.361 109.879 108.800 -0.470 0.000 2.979 40 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.238 40 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.238 40 G C 0.333 175.070 174.900 -0.272 0.000 1.805 40 G CA 0.086 45.001 45.100 -0.309 0.000 1.389 40 G HN 0.245 nan 8.290 nan 0.000 0.517 41 D N 1.298 121.606 120.400 -0.154 0.000 2.347 41 D HA 0.350 4.989 4.640 -0.002 0.000 0.215 41 D C 0.878 177.261 176.300 0.139 0.000 0.976 41 D CA 1.589 55.609 54.000 0.032 0.000 0.884 41 D CB -0.032 40.862 40.800 0.157 0.000 0.915 41 D HN 0.525 nan 8.370 nan 0.000 0.526 42 F N -2.345 117.534 119.950 -0.117 0.000 2.715 42 F HA 0.591 5.117 4.527 -0.002 0.000 0.318 42 F C -1.156 174.531 175.800 -0.189 0.000 1.141 42 F CA -1.668 56.299 58.000 -0.056 0.000 0.950 42 F CB 0.646 39.660 39.000 0.023 0.000 1.374 42 F HN -0.344 nan 8.300 nan 0.000 0.477 43 Y N -0.487 119.928 120.300 0.191 0.000 2.567 43 Y HA 0.701 5.250 4.550 -0.002 0.000 0.333 43 Y C 0.202 176.261 175.900 0.265 0.000 1.106 43 Y CA -0.835 57.338 58.100 0.123 0.000 1.157 43 Y CB 2.173 40.705 38.460 0.119 0.000 1.277 43 Y HN 0.871 nan 8.280 nan 0.000 0.490 44 T N 0.760 115.545 114.554 0.386 0.000 2.916 44 T HA 0.820 5.169 4.350 -0.002 0.000 0.305 44 T C -1.579 173.226 174.700 0.176 0.000 1.119 44 T CA -0.526 61.702 62.100 0.213 0.000 1.008 44 T CB 0.759 69.689 68.868 0.103 0.000 1.129 44 T HN 0.830 nan 8.240 nan 0.000 0.480 45 A N 3.611 126.384 122.820 -0.078 0.000 2.355 45 A HA 0.884 5.203 4.320 -0.002 0.000 0.324 45 A C -0.973 176.348 177.584 -0.440 0.000 1.117 45 A CA -0.592 51.443 52.037 -0.004 0.000 0.785 45 A CB 1.054 20.134 19.000 0.134 0.000 1.254 45 A HN 0.929 nan 8.150 nan 0.000 0.453 46 H N -0.224 118.898 119.070 0.087 0.000 2.949 46 H HA 0.604 5.158 4.556 -0.002 0.000 0.356 46 H C 0.952 176.262 175.328 -0.029 0.000 1.212 46 H CA 0.080 56.013 56.048 -0.192 0.000 1.136 46 H CB 1.507 30.813 29.762 -0.760 0.000 1.869 46 H HN 1.454 nan 8.280 nan 0.000 0.556 47 G N 1.146 110.002 108.800 0.094 0.000 2.622 47 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.307 47 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.307 47 G C 1.049 176.086 174.900 0.229 0.000 1.226 47 G CA 0.807 46.073 45.100 0.277 0.000 0.997 47 G HN 0.642 nan 8.290 nan 0.000 0.551 48 E N 1.016 121.374 120.200 0.264 0.000 2.110 48 E HA -0.090 4.258 4.350 -0.002 0.000 0.193 48 E C 2.135 178.845 176.600 0.184 0.000 0.988 48 E CA 1.669 58.187 56.400 0.198 0.000 0.804 48 E CB -0.345 29.469 29.700 0.191 0.000 0.745 48 E HN 0.596 nan 8.360 nan 0.000 0.458 49 D N 0.798 121.338 120.400 0.234 0.000 2.149 49 D HA -0.064 4.575 4.640 -0.002 0.000 0.201 49 D C 1.906 178.297 176.300 0.151 0.000 0.972 49 D CA 1.235 55.370 54.000 0.225 0.000 0.835 49 D CB -0.272 40.710 40.800 0.304 0.000 0.966 49 D HN 0.133 nan 8.370 nan 0.000 0.476 50 A N 1.113 123.997 122.820 0.106 0.000 1.883 50 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 50 A C 2.397 179.980 177.584 -0.001 0.000 1.186 50 A CA 1.098 53.138 52.037 0.005 0.000 0.624 50 A CB -0.888 18.081 19.000 -0.051 0.000 0.822 50 A HN 0.203 nan 8.150 nan 0.000 0.444 51 L N -1.310 119.935 121.223 0.036 0.000 2.017 51 L HA -0.184 4.154 4.340 -0.002 0.000 0.208 51 L C 2.583 179.466 176.870 0.021 0.000 1.073 51 L CA 1.315 56.175 54.840 0.034 0.000 0.745 51 L CB -0.584 41.516 42.059 0.067 0.000 0.894 51 L HN 0.465 nan 8.230 nan 0.000 0.432 52 L N 0.105 121.352 121.223 0.040 0.000 2.046 52 L HA -0.143 4.196 4.340 -0.002 0.000 0.208 52 L C 2.617 179.440 176.870 -0.078 0.000 1.077 52 L CA 1.993 56.849 54.840 0.027 0.000 0.747 52 L CB -0.676 41.429 42.059 0.076 0.000 0.896 52 L HN 0.151 nan 8.230 nan 0.000 0.432 53 A N -0.497 122.212 122.820 -0.184 0.000 1.877 53 A HA -0.095 4.224 4.320 -0.002 0.000 0.216 53 A C 2.454 179.880 177.584 -0.264 0.000 1.186 53 A CA 1.760 53.456 52.037 -0.568 0.000 0.620 53 A CB -1.223 17.459 19.000 -0.530 0.000 0.822 53 A HN 0.558 nan 8.150 nan 0.000 0.443 54 A N -0.441 122.343 122.820 -0.060 0.000 1.978 54 A HA -0.174 4.145 4.320 -0.002 0.000 0.220 54 A C 2.272 179.867 177.584 0.018 0.000 1.170 54 A CA 1.639 53.706 52.037 0.051 0.000 0.636 54 A CB -0.398 18.608 19.000 0.008 0.000 0.810 54 A HN 0.563 nan 8.150 nan 0.000 0.448 55 R N -1.125 119.359 120.500 -0.027 0.000 2.100 55 R HA 0.012 4.350 4.340 -0.002 0.000 0.220 55 R C 1.732 178.002 176.300 -0.050 0.000 1.091 55 R CA 1.083 57.172 56.100 -0.018 0.000 0.986 55 R CB -0.045 30.256 30.300 0.001 0.000 0.888 55 R HN 0.441 nan 8.270 nan 0.000 0.444 56 E N 0.019 120.156 120.200 -0.105 0.000 2.166 56 E HA -0.010 4.338 4.350 -0.002 0.000 0.192 56 E C 2.085 178.557 176.600 -0.213 0.000 0.967 56 E CA 0.671 57.003 56.400 -0.113 0.000 0.840 56 E CB 0.184 29.858 29.700 -0.043 0.000 0.795 56 E HN 0.066 nan 8.360 nan 0.000 0.470 57 V N 0.316 119.986 119.914 -0.407 0.000 2.283 57 V HA -0.095 4.024 4.120 -0.002 0.000 0.239 57 V C 1.881 177.618 176.094 -0.594 0.000 1.035 57 V CA 1.392 63.309 62.300 -0.638 0.000 1.018 57 V CB -0.488 30.664 31.823 -1.119 0.000 0.658 57 V HN 0.068 nan 8.190 nan 0.000 0.459 58 F N -0.106 119.757 119.950 -0.145 0.000 2.698 58 F HA 0.282 4.808 4.527 -0.002 0.000 0.295 58 F C 1.326 177.081 175.800 -0.074 0.000 1.124 58 F CA -0.133 57.807 58.000 -0.100 0.000 1.426 58 F CB -0.454 38.482 39.000 -0.106 0.000 1.120 58 F HN 0.051 nan 8.300 nan 0.000 0.583 59 K N 0.813 121.248 120.400 0.058 0.000 3.071 59 K HA -0.208 4.111 4.320 -0.002 0.000 0.265 59 K C 0.074 176.699 176.600 0.043 0.000 1.060 59 K CA 0.900 57.205 56.287 0.030 0.000 0.767 59 K CB -2.021 30.484 32.500 0.008 0.000 1.241 59 K HN 0.346 nan 8.250 nan 0.000 0.486 60 T N -1.387 113.201 114.554 0.056 0.000 2.886 60 T HA 0.242 4.590 4.350 -0.002 0.000 0.330 60 T C -0.316 174.392 174.700 0.013 0.000 1.488 60 T CA -0.671 61.447 62.100 0.029 0.000 1.054 60 T CB 1.810 70.688 68.868 0.017 0.000 1.348 60 T HN 0.192 nan 8.240 nan 0.000 0.489 61 Q N 1.637 121.438 119.800 0.002 0.000 2.319 61 Q HA 0.219 4.557 4.340 -0.002 0.000 0.202 61 Q C 1.921 177.901 176.000 -0.033 0.000 0.896 61 Q CA 0.255 56.053 55.803 -0.008 0.000 0.942 61 Q CB 0.378 29.127 28.738 0.018 0.000 1.083 61 Q HN 0.870 nan 8.270 nan 0.000 0.510 62 G N 0.914 109.689 108.800 -0.041 0.000 2.509 62 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.218 62 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.218 62 G C 1.456 176.287 174.900 -0.115 0.000 1.124 62 G CA 0.923 45.988 45.100 -0.058 0.000 0.776 62 G HN 0.345 nan 8.290 nan 0.000 0.547 63 V N -1.345 118.471 119.914 -0.164 0.000 3.461 63 V HA 0.346 4.465 4.120 -0.002 0.000 0.267 63 V C 1.137 177.084 176.094 -0.246 0.000 1.186 63 V CA -0.240 61.900 62.300 -0.267 0.000 1.154 63 V CB -0.533 31.024 31.823 -0.445 0.000 0.802 63 V HN 0.211 nan 8.190 nan 0.000 0.474 64 I N 2.660 123.104 120.570 -0.211 0.000 2.452 64 I HA 0.280 4.449 4.170 -0.002 0.000 0.287 64 I C 0.368 176.247 176.117 -0.396 0.000 1.079 64 I CA 0.138 61.255 61.300 -0.304 0.000 1.387 64 I CB 0.423 38.237 38.000 -0.310 0.000 1.404 64 I HN 0.129 nan 8.210 nan 0.000 0.522 65 K N 5.927 126.085 120.400 -0.403 0.000 2.139 65 K HA 0.522 4.841 4.320 -0.002 0.000 0.243 65 K C -1.130 175.171 176.600 -0.498 0.000 0.983 65 K CA -0.806 55.288 56.287 -0.321 0.000 0.890 65 K CB 1.507 33.908 32.500 -0.166 0.000 1.090 65 K HN 0.261 nan 8.250 nan 0.000 0.445 66 Y N 1.010 121.309 120.300 -0.002 0.000 2.350 66 Y HA 0.408 4.957 4.550 -0.002 0.000 0.338 66 Y C 0.352 176.264 175.900 0.021 0.000 0.961 66 Y CA -0.856 57.253 58.100 0.015 0.000 1.100 66 Y CB 1.622 40.090 38.460 0.012 0.000 1.179 66 Y HN 0.418 nan 8.280 nan 0.000 0.454 67 M N 1.630 121.337 119.600 0.178 0.000 2.662 67 M HA 1.036 5.514 4.480 -0.002 0.000 0.310 67 M C -0.120 176.250 176.300 0.116 0.000 1.204 67 M CA -0.634 54.739 55.300 0.120 0.000 0.891 67 M CB 2.685 35.338 32.600 0.087 0.000 1.732 67 M HN 0.741 nan 8.290 nan 0.000 0.467 68 G N 0.590 109.444 108.800 0.090 0.000 2.350 68 G HA2 0.255 4.214 3.960 -0.002 0.000 0.282 68 G HA3 0.255 4.214 3.960 -0.002 0.000 0.282 68 G C -3.525 171.411 174.900 0.060 0.000 1.314 68 G CA -0.965 44.180 45.100 0.076 0.000 0.915 68 G HN 0.610 nan 8.290 nan 0.000 0.499 69 P HA 0.394 nan 4.420 nan 0.000 0.272 69 P C 1.216 178.535 177.300 0.032 0.000 1.223 69 P CA 0.792 63.915 63.100 0.038 0.000 0.784 69 P CB 1.108 32.827 31.700 0.032 0.000 0.923 70 A N 3.798 126.635 122.820 0.027 0.000 1.909 70 A HA -0.252 4.066 4.320 -0.002 0.000 0.221 70 A C 2.402 179.996 177.584 0.017 0.000 1.223 70 A CA 2.790 54.840 52.037 0.022 0.000 0.658 70 A CB -2.078 16.932 19.000 0.018 0.000 0.831 70 A HN 0.661 nan 8.150 nan 0.000 0.462 71 G N -1.257 107.551 108.800 0.015 0.000 2.446 71 G HA2 0.216 4.175 3.960 -0.002 0.000 0.217 71 G HA3 0.216 4.175 3.960 -0.002 0.000 0.217 71 G C 0.635 175.539 174.900 0.006 0.000 1.168 71 G CA 1.389 46.494 45.100 0.009 0.000 0.771 71 G HN 1.551 nan 8.290 nan 0.000 0.551 72 A N -0.045 122.782 122.820 0.011 0.000 2.651 72 A HA 0.611 4.930 4.320 -0.002 0.000 0.290 72 A C -0.408 177.189 177.584 0.021 0.000 1.185 72 A CA -0.639 51.402 52.037 0.007 0.000 0.746 72 A CB 0.744 19.747 19.000 0.005 0.000 1.213 72 A HN 0.175 nan 8.150 nan 0.000 0.429 73 K N 2.070 122.483 120.400 0.022 0.000 2.266 73 K HA 0.261 4.579 4.320 -0.002 0.000 0.274 73 K C -0.156 176.480 176.600 0.059 0.000 1.090 73 K CA -0.521 55.804 56.287 0.063 0.000 0.925 73 K CB 0.743 33.298 32.500 0.091 0.000 1.225 73 K HN 0.551 nan 8.250 nan 0.000 0.458 74 N N 1.309 120.063 118.700 0.090 0.000 2.348 74 N HA 0.007 4.746 4.740 -0.002 0.000 0.183 74 N C -0.209 175.452 175.510 0.253 0.000 1.094 74 N CA -0.069 53.041 53.050 0.100 0.000 0.885 74 N CB 0.254 38.777 38.487 0.059 0.000 1.065 74 N HN 0.321 nan 8.380 nan 0.000 0.472 75 L N 2.638 123.998 121.223 0.229 0.000 2.418 75 L HA 0.146 4.484 4.340 -0.002 0.000 0.274 75 L C -0.150 176.832 176.870 0.187 0.000 1.135 75 L CA -0.114 54.842 54.840 0.194 0.000 0.870 75 L CB 0.231 42.349 42.059 0.099 0.000 1.154 75 L HN 0.037 nan 8.230 nan 0.000 0.462 76 Q N 2.568 122.444 119.800 0.126 0.000 2.364 76 Q HA 0.451 4.790 4.340 -0.002 0.000 0.267 76 Q C -0.634 175.307 176.000 -0.097 0.000 0.999 76 Q CA 0.513 56.250 55.803 -0.110 0.000 0.886 76 Q CB 0.817 29.526 28.738 -0.049 0.000 1.243 76 Q HN 0.727 nan 8.270 nan 0.000 0.415 77 S N 0.555 116.120 115.700 -0.225 0.000 2.546 77 S HA 0.682 5.151 4.470 -0.002 0.000 0.272 77 S C -1.385 173.056 174.600 -0.264 0.000 1.140 77 S CA -0.800 57.262 58.200 -0.231 0.000 0.920 77 S CB 1.543 64.695 63.200 -0.080 0.000 1.083 77 S HN 0.300 nan 8.310 nan 0.000 0.476 78 V N 2.489 122.238 119.914 -0.275 0.000 2.709 78 V HA 0.528 4.646 4.120 -0.002 0.000 0.308 78 V C -0.651 175.381 176.094 -0.104 0.000 1.062 78 V CA -0.752 61.441 62.300 -0.179 0.000 0.901 78 V CB 2.124 33.886 31.823 -0.100 0.000 1.003 78 V HN 0.693 nan 8.190 nan 0.000 0.425 79 V N 5.796 125.654 119.914 -0.093 0.000 2.383 79 V HA 0.446 4.564 4.120 -0.002 0.000 0.275 79 V C -0.168 176.012 176.094 0.143 0.000 1.036 79 V CA -0.327 61.984 62.300 0.018 0.000 0.889 79 V CB 1.314 33.039 31.823 -0.163 0.000 0.985 79 V HN 0.590 nan 8.190 nan 0.000 0.459 80 L N 5.016 126.427 121.223 0.314 0.000 2.296 80 L HA 0.520 4.859 4.340 -0.002 0.000 0.286 80 L C 0.689 177.805 176.870 0.410 0.000 1.023 80 L CA -0.271 54.801 54.840 0.388 0.000 0.812 80 L CB 2.058 44.340 42.059 0.372 0.000 1.223 80 L HN 0.782 nan 8.230 nan 0.000 0.421 81 S N 1.794 117.693 115.700 0.332 0.000 2.624 81 S HA 0.151 4.619 4.470 -0.002 0.000 0.263 81 S C 1.103 175.905 174.600 0.336 0.000 1.287 81 S CA -0.589 57.787 58.200 0.294 0.000 0.990 81 S CB 1.079 64.396 63.200 0.196 0.000 0.950 81 S HN 0.779 nan 8.310 nan 0.000 0.561 82 K N 0.454 121.038 120.400 0.307 0.000 2.077 82 K HA -0.268 4.051 4.320 -0.002 0.000 0.213 82 K C 2.072 178.819 176.600 0.245 0.000 1.051 82 K CA 1.833 58.302 56.287 0.303 0.000 0.929 82 K CB -0.528 32.099 32.500 0.213 0.000 0.715 82 K HN 0.642 nan 8.250 nan 0.000 0.451 83 M N 1.469 121.175 119.600 0.176 0.000 2.099 83 M HA -0.146 4.332 4.480 -0.002 0.000 0.262 83 M C 1.616 177.971 176.300 0.091 0.000 1.067 83 M CA 1.814 57.183 55.300 0.116 0.000 1.124 83 M CB -0.267 32.383 32.600 0.085 0.000 1.353 83 M HN 0.297 nan 8.290 nan 0.000 0.410 84 N N -0.211 118.556 118.700 0.111 0.000 2.036 84 N HA -0.248 4.491 4.740 -0.002 0.000 0.195 84 N C 1.629 177.171 175.510 0.054 0.000 1.037 84 N CA 1.858 54.929 53.050 0.035 0.000 0.855 84 N CB -0.432 38.112 38.487 0.095 0.000 1.033 84 N HN 0.331 nan 8.380 nan 0.000 0.423 85 F N 2.140 122.067 119.950 -0.038 0.000 2.095 85 F HA -0.175 4.350 4.527 -0.002 0.000 0.298 85 F C 2.147 177.831 175.800 -0.194 0.000 1.104 85 F CA 1.488 59.393 58.000 -0.159 0.000 1.232 85 F CB -0.173 38.519 39.000 -0.514 0.000 0.987 85 F HN 0.033 nan 8.300 nan 0.000 0.475 86 E N -0.593 119.569 120.200 -0.063 0.000 2.160 86 E HA -0.221 4.127 4.350 -0.002 0.000 0.195 86 E C 2.362 178.829 176.600 -0.223 0.000 0.991 86 E CA 1.297 57.586 56.400 -0.184 0.000 0.810 86 E CB -0.318 29.387 29.700 0.008 0.000 0.742 86 E HN 0.405 nan 8.360 nan 0.000 0.466 87 S N -0.127 115.494 115.700 -0.132 0.000 2.357 87 S HA -0.117 4.352 4.470 -0.002 0.000 0.221 87 S C 1.662 176.196 174.600 -0.110 0.000 1.031 87 S CA 0.524 58.657 58.200 -0.111 0.000 0.982 87 S CB -0.217 62.931 63.200 -0.087 0.000 0.853 87 S HN 0.271 nan 8.310 nan 0.000 0.458 88 F N 2.423 122.180 119.950 -0.321 0.000 2.134 88 F HA -0.012 4.513 4.527 -0.002 0.000 0.299 88 F C 2.147 177.707 175.800 -0.401 0.000 1.097 88 F CA 1.057 58.856 58.000 -0.336 0.000 1.264 88 F CB -0.908 37.902 39.000 -0.317 0.000 1.001 88 F HN 0.049 nan 8.300 nan 0.000 0.479 89 V N 0.389 119.920 119.914 -0.638 0.000 2.427 89 V HA -0.286 3.832 4.120 -0.002 0.000 0.248 89 V C 2.378 178.163 176.094 -0.515 0.000 1.051 89 V CA 2.011 63.828 62.300 -0.805 0.000 1.048 89 V CB -0.615 30.448 31.823 -1.265 0.000 0.666 89 V HN 0.258 nan 8.190 nan 0.000 0.456 90 K N -0.225 119.952 120.400 -0.372 0.000 2.057 90 K HA -0.209 4.110 4.320 -0.002 0.000 0.206 90 K C 1.969 178.463 176.600 -0.176 0.000 1.050 90 K CA 1.864 58.014 56.287 -0.228 0.000 0.935 90 K CB -0.247 32.157 32.500 -0.160 0.000 0.715 90 K HN 0.409 nan 8.250 nan 0.000 0.439 91 D N 0.682 120.980 120.400 -0.170 0.000 2.123 91 D HA -0.066 4.573 4.640 -0.002 0.000 0.200 91 D C 1.791 178.017 176.300 -0.123 0.000 0.976 91 D CA 0.767 54.699 54.000 -0.113 0.000 0.831 91 D CB 0.092 40.853 40.800 -0.066 0.000 0.974 91 D HN 0.013 nan 8.370 nan 0.000 0.469 92 L N -0.166 120.914 121.223 -0.240 0.000 1.989 92 L HA -0.193 4.146 4.340 -0.002 0.000 0.211 92 L C 2.508 179.337 176.870 -0.069 0.000 1.071 92 L CA 0.919 55.625 54.840 -0.223 0.000 0.749 92 L CB -0.427 41.340 42.059 -0.487 0.000 0.890 92 L HN 0.168 nan 8.230 nan 0.000 0.431 93 L N -0.926 120.224 121.223 -0.120 0.000 2.007 93 L HA -0.174 4.164 4.340 -0.002 0.000 0.205 93 L C 2.400 179.252 176.870 -0.030 0.000 1.073 93 L CA 1.062 55.870 54.840 -0.054 0.000 0.744 93 L CB -0.427 41.590 42.059 -0.071 0.000 0.898 93 L HN 0.197 nan 8.230 nan 0.000 0.435 94 L N -1.169 120.024 121.223 -0.051 0.000 2.217 94 L HA -0.110 4.229 4.340 -0.002 0.000 0.211 94 L C 1.939 178.792 176.870 -0.028 0.000 1.107 94 L CA 0.533 55.350 54.840 -0.038 0.000 0.783 94 L CB -0.186 41.843 42.059 -0.049 0.000 0.919 94 L HN 0.127 nan 8.230 nan 0.000 0.442 95 V N -1.526 118.375 119.914 -0.022 0.000 2.950 95 V HA 0.038 4.156 4.120 -0.002 0.000 0.231 95 V C 1.984 178.092 176.094 0.024 0.000 1.205 95 V CA 0.260 62.556 62.300 -0.005 0.000 1.239 95 V CB -0.076 31.742 31.823 -0.008 0.000 1.050 95 V HN 0.197 nan 8.190 nan 0.000 0.498 96 R N 0.562 121.098 120.500 0.060 0.000 2.323 96 R HA 0.055 4.393 4.340 -0.002 0.000 0.198 96 R C 0.162 176.551 176.300 0.148 0.000 0.988 96 R CA 0.106 56.297 56.100 0.151 0.000 1.041 96 R CB -0.006 30.442 30.300 0.247 0.000 0.926 96 R HN 0.460 nan 8.270 nan 0.000 0.476 97 Q N -1.363 118.473 119.800 0.060 0.000 2.487 97 Q HA -0.230 4.109 4.340 -0.002 0.000 0.279 97 Q C -1.231 174.712 176.000 -0.096 0.000 1.228 97 Q CA 1.223 57.009 55.803 -0.028 0.000 0.873 97 Q CB -2.242 26.447 28.738 -0.081 0.000 1.260 97 Q HN 0.413 nan 8.270 nan 0.000 0.471 98 Y N 0.287 120.559 120.300 -0.047 0.000 2.457 98 Y HA 0.481 5.030 4.550 -0.002 0.000 0.333 98 Y C 1.304 177.178 175.900 -0.043 0.000 1.119 98 Y CA -0.860 57.212 58.100 -0.047 0.000 1.143 98 Y CB 1.104 39.514 38.460 -0.084 0.000 1.230 98 Y HN 0.103 nan 8.280 nan 0.000 0.469 99 R N 0.400 120.987 120.500 0.145 0.000 2.668 99 R HA 0.859 5.198 4.340 -0.002 0.000 0.279 99 R C -1.918 174.437 176.300 0.092 0.000 0.976 99 R CA -0.847 55.317 56.100 0.107 0.000 0.978 99 R CB 1.297 31.665 30.300 0.113 0.000 1.133 99 R HN 0.389 nan 8.270 nan 0.000 0.484 100 V N 1.317 121.275 119.914 0.074 0.000 2.628 100 V HA 0.379 4.498 4.120 -0.002 0.000 0.306 100 V C -0.408 175.752 176.094 0.110 0.000 1.045 100 V CA -0.801 61.531 62.300 0.052 0.000 0.905 100 V CB 1.749 33.551 31.823 -0.036 0.000 0.997 100 V HN 0.814 nan 8.190 nan 0.000 0.436 101 E N 2.424 122.680 120.200 0.093 0.000 2.224 101 E HA 0.606 4.955 4.350 -0.002 0.000 0.265 101 E C -1.645 174.944 176.600 -0.017 0.000 0.878 101 E CA -0.538 55.867 56.400 0.009 0.000 0.759 101 E CB 2.685 32.387 29.700 0.004 0.000 1.164 101 E HN 0.416 nan 8.360 nan 0.000 0.414 102 V N 3.921 123.797 119.914 -0.064 0.000 2.409 102 V HA 0.329 4.448 4.120 -0.002 0.000 0.291 102 V C -1.209 174.751 176.094 -0.223 0.000 1.020 102 V CA -0.728 61.606 62.300 0.058 0.000 0.848 102 V CB 0.673 32.761 31.823 0.442 0.000 0.990 102 V HN 0.585 nan 8.190 nan 0.000 0.430 103 Y N 3.532 123.790 120.300 -0.070 0.000 2.335 103 Y HA 0.532 5.081 4.550 -0.002 0.000 0.338 103 Y C 0.510 176.510 175.900 0.166 0.000 0.977 103 Y CA -0.589 57.495 58.100 -0.027 0.000 1.114 103 Y CB 1.544 39.949 38.460 -0.091 0.000 1.182 103 Y HN 0.460 nan 8.280 nan 0.000 0.463 104 K N 1.661 122.033 120.400 -0.047 0.000 2.106 104 K HA 0.327 4.646 4.320 -0.002 0.000 0.246 104 K C -0.735 175.681 176.600 -0.307 0.000 0.987 104 K CA -1.102 55.089 56.287 -0.159 0.000 0.904 104 K CB 1.120 33.389 32.500 -0.385 0.000 1.071 104 K HN 0.515 nan 8.250 nan 0.000 0.453 105 N N 0.930 119.327 118.700 -0.504 0.000 2.361 105 N HA 0.173 4.911 4.740 -0.002 0.000 0.302 105 N C -0.977 174.329 175.510 -0.340 0.000 1.074 105 N CA -0.664 51.862 53.050 -0.873 0.000 0.850 105 N CB 1.296 38.794 38.487 -1.648 0.000 1.228 105 N HN 0.257 nan 8.380 nan 0.000 0.491 106 R N 1.988 122.373 120.500 -0.192 0.000 4.164 106 R HA 0.422 4.760 4.340 -0.002 0.000 0.195 106 R C -0.619 175.596 176.300 -0.141 0.000 1.712 106 R CA -0.220 55.850 56.100 -0.050 0.000 1.457 106 R CB -0.979 29.320 30.300 -0.003 0.000 1.387 106 R HN 0.555 nan 8.270 nan 0.000 0.785 107 A N 0.931 123.648 122.820 -0.171 0.000 2.354 107 A HA 0.689 5.007 4.320 -0.002 0.000 0.269 107 A C 0.522 178.050 177.584 -0.094 0.000 1.109 107 A CA 0.405 52.348 52.037 -0.156 0.000 0.800 107 A CB 0.442 19.334 19.000 -0.181 0.000 1.045 107 A HN 0.764 nan 8.150 nan 0.000 0.489 113 K N 2.022 122.410 120.400 -0.021 0.000 2.502 113 K HA 0.528 4.846 4.320 -0.002 0.000 0.254 113 K C -1.527 175.051 176.600 -0.037 0.000 0.947 113 K CA -0.600 55.666 56.287 -0.035 0.000 0.834 113 K CB 1.842 34.331 32.500 -0.019 0.000 1.112 113 K HN 0.237 nan 8.250 nan 0.000 0.427 114 E N 1.776 121.929 120.200 -0.078 0.000 2.191 114 E HA 0.207 4.555 4.350 -0.002 0.000 0.274 114 E C -0.349 176.154 176.600 -0.162 0.000 0.948 114 E CA -0.652 55.697 56.400 -0.086 0.000 0.802 114 E CB 1.341 30.988 29.700 -0.089 0.000 1.137 114 E HN 0.405 nan 8.360 nan 0.000 0.397 115 N N 2.150 120.791 118.700 -0.099 0.000 2.920 115 N HA 0.014 4.753 4.740 -0.002 0.000 0.310 115 N C -0.693 174.662 175.510 -0.258 0.000 1.384 115 N CA -0.010 52.950 53.050 -0.149 0.000 1.083 115 N CB 0.213 38.779 38.487 0.132 0.000 1.389 115 N HN 0.328 nan 8.380 nan 0.000 0.521 116 D N 0.462 120.674 120.400 -0.313 0.000 2.631 116 D HA 0.059 4.698 4.640 -0.002 0.000 0.227 116 D C -0.393 175.840 176.300 -0.112 0.000 1.146 116 D CA -0.449 53.485 54.000 -0.110 0.000 1.009 116 D CB -0.094 40.682 40.800 -0.040 0.000 1.057 116 D HN 0.109 nan 8.370 nan 0.000 0.509 117 W N 2.544 123.804 121.300 -0.066 0.000 2.237 117 W HA 0.373 5.031 4.660 -0.002 0.000 0.335 117 W C 0.053 176.804 176.519 0.386 0.000 1.230 117 W CA -0.575 56.815 57.345 0.076 0.000 1.253 117 W CB 0.469 29.883 29.460 -0.078 0.000 1.129 117 W HN 0.180 nan 8.180 nan 0.000 0.590 118 Y N -0.171 120.476 120.300 0.579 0.000 2.609 118 Y HA 0.570 5.118 4.550 -0.002 0.000 0.336 118 Y C -1.365 174.805 175.900 0.449 0.000 1.129 118 Y CA -2.101 56.274 58.100 0.459 0.000 1.040 118 Y CB 0.326 38.916 38.460 0.218 0.000 1.310 118 Y HN 0.254 nan 8.280 nan 0.000 0.460 119 L N 3.103 124.546 121.223 0.366 0.000 2.407 119 L HA 0.584 4.923 4.340 -0.002 0.000 0.282 119 L C 0.664 177.488 176.870 -0.076 0.000 1.110 119 L CA 0.793 55.542 54.840 -0.152 0.000 0.863 119 L CB 0.309 42.297 42.059 -0.117 0.000 1.207 119 L HN 0.963 nan 8.230 nan 0.000 0.454 120 A N 4.687 127.346 122.820 -0.269 0.000 1.911 120 A HA 0.175 4.493 4.320 -0.002 0.000 0.212 120 A C -0.071 177.145 177.584 -0.613 0.000 1.189 120 A CA 0.786 52.594 52.037 -0.382 0.000 0.639 120 A CB -0.080 18.621 19.000 -0.499 0.000 0.839 120 A HN 0.616 nan 8.150 nan 0.000 0.449 121 Y N -1.470 118.789 120.300 -0.067 0.000 2.553 121 Y HA 0.629 5.178 4.550 -0.002 0.000 0.347 121 Y C -0.222 175.638 175.900 -0.065 0.000 1.019 121 Y CA -1.140 56.912 58.100 -0.081 0.000 1.032 121 Y CB 1.756 40.181 38.460 -0.059 0.000 1.284 121 Y HN 0.083 nan 8.280 nan 0.000 0.466 122 K N 1.797 122.248 120.400 0.086 0.000 2.601 122 K HA 0.870 5.188 4.320 -0.002 0.000 0.249 122 K C -1.751 174.887 176.600 0.064 0.000 0.966 122 K CA -0.405 55.918 56.287 0.061 0.000 0.827 122 K CB 1.182 33.676 32.500 -0.009 0.000 1.178 122 K HN 0.828 nan 8.250 nan 0.000 0.437 123 A N 2.172 125.093 122.820 0.168 0.000 2.354 123 A HA 0.857 5.176 4.320 -0.002 0.000 0.321 123 A C -1.085 176.577 177.584 0.131 0.000 1.125 123 A CA -0.664 51.474 52.037 0.169 0.000 0.799 123 A CB 1.774 20.997 19.000 0.373 0.000 1.293 123 A HN 0.589 nan 8.150 nan 0.000 0.452 124 S N 0.665 116.439 115.700 0.123 0.000 2.541 124 S HA 0.516 4.985 4.470 -0.002 0.000 0.271 124 S C -2.402 172.268 174.600 0.117 0.000 1.133 124 S CA -0.852 57.435 58.200 0.146 0.000 0.876 124 S CB 1.966 65.320 63.200 0.258 0.000 1.105 124 S HN 0.438 nan 8.310 nan 0.000 0.470 125 P HA -0.092 nan 4.420 nan 0.000 0.217 125 P C 1.263 178.602 177.300 0.065 0.000 1.151 125 P CA 1.304 64.436 63.100 0.053 0.000 0.849 125 P CB 0.004 31.718 31.700 0.025 0.000 0.787 126 G N -2.671 106.193 108.800 0.106 0.000 2.986 126 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.213 126 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.213 126 G C 0.566 175.570 174.900 0.173 0.000 1.156 126 G CA 0.135 45.311 45.100 0.126 0.000 0.763 126 G HN 0.196 nan 8.290 nan 0.000 0.547 127 N N 0.427 119.225 118.700 0.164 0.000 2.752 127 N HA 0.246 4.985 4.740 -0.002 0.000 0.260 127 N C 0.615 176.162 175.510 0.062 0.000 1.562 127 N CA -0.360 52.746 53.050 0.093 0.000 0.788 127 N CB 0.486 38.969 38.487 -0.007 0.000 1.192 127 N HN -0.003 nan 8.380 nan 0.000 0.503 128 L N 0.262 121.529 121.223 0.074 0.000 2.627 128 L HA 0.171 4.510 4.340 -0.002 0.000 0.232 128 L C 1.657 178.565 176.870 0.062 0.000 1.150 128 L CA 0.035 54.927 54.840 0.088 0.000 0.917 128 L CB -0.086 42.024 42.059 0.086 0.000 1.104 128 L HN 0.231 nan 8.230 nan 0.000 0.445 129 S N 0.064 115.781 115.700 0.027 0.000 2.402 129 S HA -0.210 4.259 4.470 -0.002 0.000 0.233 129 S C 1.955 176.522 174.600 -0.056 0.000 1.030 129 S CA 1.237 59.441 58.200 0.006 0.000 1.003 129 S CB -0.124 63.082 63.200 0.010 0.000 0.813 129 S HN 0.510 nan 8.310 nan 0.000 0.477 130 Q N -0.509 119.204 119.800 -0.145 0.000 2.230 130 Q HA 0.071 4.410 4.340 -0.002 0.000 0.202 130 Q C 0.304 175.938 176.000 -0.609 0.000 0.963 130 Q CA 0.912 56.480 55.803 -0.392 0.000 0.866 130 Q CB -0.084 28.329 28.738 -0.543 0.000 0.931 130 Q HN 0.615 nan 8.270 nan 0.000 0.452 131 F N 0.800 120.733 119.950 -0.028 0.000 2.850 131 F HA 0.135 4.661 4.527 -0.002 0.000 0.329 131 F C 1.508 177.302 175.800 -0.009 0.000 1.182 131 F CA -0.524 57.450 58.000 -0.044 0.000 1.270 131 F CB 0.362 39.321 39.000 -0.067 0.000 0.979 131 F HN -0.019 nan 8.300 nan 0.000 0.506 132 E N 0.989 121.262 120.200 0.123 0.000 2.204 132 E HA -0.199 4.150 4.350 -0.002 0.000 0.194 132 E C 1.164 177.856 176.600 0.153 0.000 0.989 132 E CA 1.834 58.311 56.400 0.128 0.000 0.824 132 E CB -0.322 29.437 29.700 0.098 0.000 0.756 132 E HN 0.508 nan 8.360 nan 0.000 0.477 133 D N 1.230 121.695 120.400 0.107 0.000 2.149 133 D HA -0.131 4.508 4.640 -0.002 0.000 0.201 133 D C 2.249 178.630 176.300 0.136 0.000 0.972 133 D CA 0.682 54.732 54.000 0.082 0.000 0.835 133 D CB -0.632 40.181 40.800 0.022 0.000 0.966 133 D HN 0.357 nan 8.370 nan 0.000 0.476 134 I N 0.079 120.741 120.570 0.153 0.000 2.406 134 I HA -0.092 4.077 4.170 -0.002 0.000 0.249 134 I C 2.152 178.325 176.117 0.093 0.000 1.122 134 I CA 0.504 61.877 61.300 0.122 0.000 1.431 134 I CB 0.020 38.089 38.000 0.115 0.000 1.087 134 I HN -0.078 nan 8.210 nan 0.000 0.424 135 L N -0.257 121.032 121.223 0.111 0.000 2.599 135 L HA 0.001 4.339 4.340 -0.002 0.000 0.230 135 L C 0.699 177.624 176.870 0.091 0.000 1.141 135 L CA -0.124 54.757 54.840 0.067 0.000 0.877 135 L CB -0.298 41.795 42.059 0.056 0.000 1.009 135 L HN 0.108 nan 8.230 nan 0.000 0.447 136 F N 1.281 121.237 119.950 0.009 0.000 2.552 136 F HA 0.225 4.751 4.527 -0.002 0.000 0.342 136 F C 1.038 176.839 175.800 0.002 0.000 1.257 136 F CA 0.192 58.196 58.000 0.006 0.000 1.058 136 F CB 0.154 39.160 39.000 0.010 0.000 1.288 136 F HN -0.070 nan 8.300 nan 0.000 0.627 137 G N 3.898 112.539 108.800 -0.264 0.000 2.803 137 G HA2 0.049 4.008 3.960 -0.002 0.000 0.212 137 G HA3 0.049 4.008 3.960 -0.002 0.000 0.212 137 G C 0.168 174.906 174.900 -0.269 0.000 1.407 137 G CA -0.086 44.889 45.100 -0.208 0.000 0.624 137 G HN 0.446 nan 8.290 nan 0.000 1.024 138 N N -0.257 118.311 118.700 -0.219 0.000 3.464 138 N HA 0.401 5.140 4.740 -0.002 0.000 0.335 138 N C -0.704 174.698 175.510 -0.179 0.000 1.489 138 N CA -0.424 52.517 53.050 -0.182 0.000 0.652 138 N CB 0.507 38.926 38.487 -0.113 0.000 2.334 138 N HN 0.366 nan 8.380 nan 0.000 0.560 146 G N 4.798 113.638 108.800 0.066 0.000 2.570 146 G HA2 0.455 4.414 3.960 -0.002 0.000 0.213 146 G HA3 0.455 4.414 3.960 -0.002 0.000 0.213 146 G C -0.710 174.224 174.900 0.057 0.000 1.391 146 G CA 0.353 45.489 45.100 0.060 0.000 0.533 146 G HN 0.570 nan 8.290 nan 0.000 1.072 147 V N 1.526 121.495 119.914 0.092 0.000 2.769 147 V HA 0.718 4.836 4.120 -0.002 0.000 0.312 147 V C -0.012 176.119 176.094 0.062 0.000 1.061 147 V CA -0.779 61.558 62.300 0.060 0.000 0.931 147 V CB 1.737 33.626 31.823 0.110 0.000 1.010 147 V HN 0.534 nan 8.190 nan 0.000 0.433 148 V N 0.485 120.403 119.914 0.007 0.000 3.126 148 V HA 1.077 5.196 4.120 -0.002 0.000 0.314 148 V C 0.118 176.199 176.094 -0.020 0.000 1.138 148 V CA -0.575 61.750 62.300 0.041 0.000 1.034 148 V CB 1.896 33.736 31.823 0.029 0.000 1.075 148 V HN 1.034 nan 8.190 nan 0.000 0.442 149 G N -0.039 108.763 108.800 0.003 0.000 2.513 149 G HA2 0.652 4.611 3.960 -0.002 0.000 0.317 149 G HA3 0.652 4.611 3.960 -0.002 0.000 0.317 149 G C -1.488 173.388 174.900 -0.039 0.000 1.277 149 G CA -0.741 44.334 45.100 -0.042 0.000 0.955 149 G HN 1.018 nan 8.290 nan 0.000 0.484 150 V N 1.905 121.774 119.914 -0.075 0.000 2.525 150 V HA 0.621 4.740 4.120 -0.002 0.000 0.299 150 V C -0.181 175.845 176.094 -0.112 0.000 1.034 150 V CA -0.782 61.464 62.300 -0.090 0.000 0.863 150 V CB 1.700 33.456 31.823 -0.111 0.000 0.999 150 V HN 0.809 nan 8.190 nan 0.000 0.423 151 K N 5.356 125.685 120.400 -0.118 0.000 2.502 151 K HA 0.832 5.150 4.320 -0.002 0.000 0.257 151 K C -0.987 175.536 176.600 -0.127 0.000 0.938 151 K CA -0.744 55.474 56.287 -0.114 0.000 0.819 151 K CB 2.440 34.882 32.500 -0.096 0.000 1.333 151 K HN 0.811 nan 8.250 nan 0.000 0.434 152 M N 0.005 119.544 119.600 -0.101 0.000 2.761 152 M HA 0.673 5.151 4.480 -0.002 0.000 0.305 152 M C -1.001 175.267 176.300 -0.052 0.000 1.235 152 M CA -0.517 54.739 55.300 -0.074 0.000 0.850 152 M CB 2.155 34.742 32.600 -0.022 0.000 1.744 152 M HN 0.588 nan 8.290 nan 0.000 0.480 153 S N -0.085 115.593 115.700 -0.038 0.000 2.587 153 S HA 0.908 5.377 4.470 -0.002 0.000 0.269 153 S C -0.710 173.878 174.600 -0.019 0.000 1.154 153 S CA -0.520 57.660 58.200 -0.033 0.000 0.824 153 S CB 1.066 64.235 63.200 -0.052 0.000 1.118 153 S HN 1.224 nan 8.310 nan 0.000 0.462 154 A N 1.085 123.895 122.820 -0.016 0.000 2.829 154 A HA 0.876 5.194 4.320 -0.002 0.000 0.248 154 A C 1.355 178.930 177.584 -0.016 0.000 1.654 154 A CA -0.127 51.903 52.037 -0.011 0.000 0.860 154 A CB -0.935 18.061 19.000 -0.007 0.000 1.696 154 A HN 1.971 nan 8.150 nan 0.000 0.576 155 V N -0.926 118.981 119.914 -0.012 0.000 0.497 155 V HA -0.302 3.816 4.120 -0.002 0.000 0.092 155 V C 0.263 176.350 176.094 -0.012 0.000 2.331 155 V CA 2.280 64.573 62.300 -0.012 0.000 3.613 155 V CB -2.069 29.745 31.823 -0.016 0.000 0.899 155 V HN 0.866 nan 8.190 nan 0.000 0.942 156 D N 1.844 122.235 120.400 -0.015 0.000 2.441 156 D HA 0.428 5.067 4.640 -0.002 0.000 0.243 156 D C 1.158 177.455 176.300 -0.006 0.000 1.257 156 D CA 1.621 55.614 54.000 -0.012 0.000 1.027 156 D CB 0.122 40.910 40.800 -0.019 0.000 1.084 156 D HN 0.966 nan 8.370 nan 0.000 0.514 157 G N 3.169 111.967 108.800 -0.003 0.000 3.274 157 G HA2 -0.393 3.565 3.960 -0.002 0.000 0.313 157 G HA3 -0.393 3.565 3.960 -0.002 0.000 0.313 157 G C 0.761 175.659 174.900 -0.003 0.000 1.295 157 G CA 0.514 45.614 45.100 0.000 0.000 1.004 157 G HN 0.505 nan 8.290 nan 0.000 0.614 158 Q N -0.434 119.364 119.800 -0.004 0.000 2.485 158 Q HA 0.192 4.531 4.340 -0.002 0.000 0.228 158 Q C 0.613 176.611 176.000 -0.002 0.000 0.763 158 Q CA 0.517 56.316 55.803 -0.007 0.000 0.959 158 Q CB 1.154 29.884 28.738 -0.014 0.000 1.314 158 Q HN 0.764 nan 8.270 nan 0.000 0.508 159 R N 0.879 121.379 120.500 0.000 0.000 2.531 159 R HA 0.478 4.817 4.340 -0.002 0.000 0.293 159 R C -1.443 174.861 176.300 0.008 0.000 1.124 159 R CA -0.589 55.523 56.100 0.019 0.000 0.945 159 R CB 1.189 31.517 30.300 0.048 0.000 1.195 159 R HN -0.179 nan 8.270 nan 0.000 0.433 160 Q N 2.614 122.397 119.800 -0.027 0.000 2.372 160 Q HA 0.311 4.650 4.340 -0.002 0.000 0.259 160 Q C -1.173 174.724 176.000 -0.171 0.000 0.993 160 Q CA -0.617 55.132 55.803 -0.091 0.000 0.854 160 Q CB 1.956 30.649 28.738 -0.075 0.000 1.231 160 Q HN 0.586 nan 8.270 nan 0.000 0.462 161 V N 3.504 123.213 119.914 -0.342 0.000 2.406 161 V HA 0.677 4.796 4.120 -0.002 0.000 0.272 161 V C 0.522 176.235 176.094 -0.635 0.000 1.043 161 V CA -0.297 61.719 62.300 -0.474 0.000 0.915 161 V CB 1.307 32.829 31.823 -0.501 0.000 0.988 161 V HN 0.827 nan 8.190 nan 0.000 0.466 162 G N 4.010 112.614 108.800 -0.327 0.000 2.437 162 G HA2 0.569 4.528 3.960 -0.002 0.000 0.315 162 G HA3 0.569 4.528 3.960 -0.002 0.000 0.315 162 G C -0.989 173.848 174.900 -0.105 0.000 1.210 162 G CA -0.331 44.646 45.100 -0.206 0.000 0.943 162 G HN 0.529 nan 8.290 nan 0.000 0.471 163 V N 2.182 122.097 119.914 0.002 0.000 2.384 163 V HA 0.763 4.881 4.120 -0.002 0.000 0.287 163 V C 0.673 176.835 176.094 0.114 0.000 1.020 163 V CA -0.487 61.867 62.300 0.092 0.000 0.850 163 V CB 1.490 33.440 31.823 0.211 0.000 0.987 163 V HN 0.870 nan 8.190 nan 0.000 0.436 164 G N 4.191 113.032 108.800 0.067 0.000 2.461 164 G HA2 0.723 4.681 3.960 -0.002 0.000 0.323 164 G HA3 0.723 4.681 3.960 -0.002 0.000 0.323 164 G C -1.325 173.633 174.900 0.095 0.000 1.229 164 G CA -0.459 44.653 45.100 0.019 0.000 0.941 164 G HN 0.774 nan 8.290 nan 0.000 0.477 165 Y N -0.419 119.891 120.300 0.016 0.000 2.669 165 Y HA 0.797 5.346 4.550 -0.001 0.000 0.335 165 Y C -1.209 174.709 175.900 0.030 0.000 1.116 165 Y CA -1.790 56.324 58.100 0.023 0.000 1.081 165 Y CB 1.682 40.164 38.460 0.038 0.000 1.297 165 Y HN 0.405 nan 8.280 nan 0.000 0.484 166 V N 1.884 121.964 119.914 0.278 0.000 2.482 166 V HA 0.282 4.401 4.120 -0.002 0.000 0.295 166 V C -1.451 174.844 176.094 0.335 0.000 1.026 166 V CA -0.541 61.878 62.300 0.199 0.000 0.856 166 V CB 1.395 33.274 31.823 0.093 0.000 1.001 166 V HN 0.803 nan 8.190 nan 0.000 0.424 167 D N 2.793 123.423 120.400 0.384 0.000 2.473 167 D HA 0.281 4.920 4.640 -0.002 0.000 0.226 167 D C 1.221 177.709 176.300 0.314 0.000 1.089 167 D CA 0.130 54.327 54.000 0.328 0.000 0.883 167 D CB 1.654 42.660 40.800 0.343 0.000 1.029 167 D HN 0.537 nan 8.370 nan 0.000 0.517 168 S N 3.533 119.397 115.700 0.275 0.000 2.436 168 S HA -0.082 4.386 4.470 -0.002 0.000 0.228 168 S C 1.938 176.618 174.600 0.134 0.000 1.014 168 S CA 0.093 58.451 58.200 0.262 0.000 0.950 168 S CB -0.050 63.309 63.200 0.265 0.000 0.784 168 S HN 0.480 nan 8.310 nan 0.000 0.504 169 I N 1.619 122.257 120.570 0.113 0.000 2.315 169 I HA -0.047 4.121 4.170 -0.002 0.000 0.248 169 I C 1.934 178.081 176.117 0.050 0.000 1.117 169 I CA 1.197 62.538 61.300 0.067 0.000 1.404 169 I CB -1.210 36.822 38.000 0.053 0.000 1.071 169 I HN 0.388 nan 8.210 nan 0.000 0.419 170 Q N 0.622 120.466 119.800 0.074 0.000 2.247 170 Q HA 0.182 4.521 4.340 -0.002 0.000 0.204 170 Q C -0.069 175.955 176.000 0.039 0.000 0.872 170 Q CA -0.216 55.626 55.803 0.065 0.000 0.951 170 Q CB 0.397 29.197 28.738 0.103 0.000 1.099 170 Q HN 0.419 nan 8.270 nan 0.000 0.501 171 R N 1.165 121.658 120.500 -0.011 0.000 3.205 171 R HA -0.173 4.166 4.340 -0.002 0.000 0.249 171 R C -0.768 175.530 176.300 -0.004 0.000 0.937 171 R CA 0.756 56.717 56.100 -0.232 0.000 0.641 171 R CB -1.584 28.503 30.300 -0.356 0.000 1.114 171 R HN 0.129 nan 8.270 nan 0.000 0.451 172 K N 0.896 121.489 120.400 0.321 0.000 2.513 172 K HA 0.432 4.750 4.320 -0.002 0.000 0.251 172 K C -0.397 176.421 176.600 0.363 0.000 0.939 172 K CA -0.802 55.708 56.287 0.372 0.000 0.793 172 K CB 1.955 34.603 32.500 0.246 0.000 1.241 172 K HN 0.009 nan 8.250 nan 0.000 0.431 173 L N 2.145 123.489 121.223 0.201 0.000 2.276 173 L HA 0.490 4.829 4.340 -0.002 0.000 0.286 173 L C 0.617 177.328 176.870 -0.265 0.000 1.061 173 L CA -0.519 54.265 54.840 -0.092 0.000 0.807 173 L CB 1.332 43.279 42.059 -0.185 0.000 1.177 173 L HN 0.737 nan 8.230 nan 0.000 0.429 174 G N 3.522 111.925 108.800 -0.662 0.000 2.432 174 G HA2 0.770 4.729 3.960 -0.002 0.000 0.331 174 G HA3 0.770 4.729 3.960 -0.002 0.000 0.331 174 G C -1.232 173.279 174.900 -0.649 0.000 1.170 174 G CA -0.449 43.971 45.100 -1.133 0.000 0.943 174 G HN 0.446 nan 8.290 nan 0.000 0.483 175 L N -1.149 119.887 121.223 -0.312 0.000 2.506 175 L HA 0.830 5.169 4.340 -0.002 0.000 0.257 175 L C -0.852 176.070 176.870 0.086 0.000 0.964 175 L CA -1.161 53.634 54.840 -0.075 0.000 0.836 175 L CB 1.426 43.441 42.059 -0.073 0.000 1.384 175 L HN 0.660 nan 8.230 nan 0.000 0.410 176 C N 1.066 120.455 119.300 0.148 0.000 2.931 176 C HA 0.720 5.178 4.460 -0.002 0.000 0.370 176 C C -1.226 173.907 174.990 0.239 0.000 1.071 176 C CA 0.070 59.248 59.018 0.266 0.000 1.266 176 C CB 1.625 29.596 27.740 0.385 0.000 1.691 176 C HN 1.003 nan 8.230 nan 0.000 0.511 177 E N 3.378 123.733 120.200 0.259 0.000 2.248 177 E HA 0.810 5.159 4.350 -0.002 0.000 0.267 177 E C -1.408 175.376 176.600 0.306 0.000 0.877 177 E CA -0.371 56.087 56.400 0.098 0.000 0.759 177 E CB 2.119 31.834 29.700 0.025 0.000 1.182 177 E HN 0.589 nan 8.360 nan 0.000 0.418 178 F N 0.102 120.124 119.950 0.120 0.000 2.688 178 F HA 0.464 4.990 4.527 -0.002 0.000 0.308 178 F C -2.988 172.888 175.800 0.127 0.000 1.117 178 F CA -2.517 55.589 58.000 0.177 0.000 0.976 178 F CB 0.759 39.939 39.000 0.300 0.000 1.291 178 F HN 0.117 nan 8.300 nan 0.000 0.439 179 P HA 0.240 nan 4.420 nan 0.000 0.276 179 P C -1.182 176.270 177.300 0.254 0.000 1.230 179 P CA 0.295 63.495 63.100 0.167 0.000 0.776 179 P CB 1.527 33.306 31.700 0.132 0.000 0.888 180 D N 1.727 122.226 120.400 0.165 0.000 2.350 180 D HA 0.303 4.941 4.640 -0.002 0.000 0.238 180 D C 0.192 176.482 176.300 -0.017 0.000 0.989 180 D CA -0.415 53.687 54.000 0.170 0.000 0.921 180 D CB 1.209 42.193 40.800 0.306 0.000 1.297 180 D HN 0.176 nan 8.370 nan 0.000 0.490 181 N N 0.110 118.772 118.700 -0.063 0.000 2.294 181 N HA 0.045 4.784 4.740 -0.002 0.000 0.248 181 N C 0.492 175.759 175.510 -0.405 0.000 1.300 181 N CA -0.105 52.849 53.050 -0.160 0.000 0.925 181 N CB 0.335 38.773 38.487 -0.082 0.000 1.188 181 N HN 0.267 nan 8.380 nan 0.000 0.512 182 D N -0.032 120.191 120.400 -0.294 0.000 2.269 182 D HA -0.070 4.569 4.640 -0.002 0.000 0.208 182 D C 0.526 176.596 176.300 -0.384 0.000 0.963 182 D CA 1.214 55.020 54.000 -0.323 0.000 0.864 182 D CB 0.066 40.769 40.800 -0.161 0.000 0.936 182 D HN 0.505 nan 8.370 nan 0.000 0.505 183 Q N -0.797 118.825 119.800 -0.297 0.000 2.149 183 Q HA 0.201 4.539 4.340 -0.002 0.000 0.221 183 Q C -0.518 175.518 176.000 0.059 0.000 0.807 183 Q CA -0.383 55.360 55.803 -0.100 0.000 1.000 183 Q CB 0.703 29.430 28.738 -0.018 0.000 1.157 183 Q HN 0.048 nan 8.270 nan 0.000 0.487 184 F N 0.410 120.381 119.950 0.035 0.000 2.803 184 F HA -0.270 4.255 4.527 -0.003 0.000 0.323 184 F C 1.335 177.163 175.800 0.046 0.000 1.033 184 F CA 0.703 58.736 58.000 0.055 0.000 1.066 184 F CB -2.209 36.819 39.000 0.047 0.000 1.283 184 F HN 0.113 nan 8.300 nan 0.000 0.816 185 S N -0.082 115.697 115.700 0.133 0.000 2.402 185 S HA -0.174 4.295 4.470 -0.002 0.000 0.229 185 S C 1.911 176.564 174.600 0.088 0.000 1.021 185 S CA 1.991 60.249 58.200 0.095 0.000 0.974 185 S CB 0.012 63.252 63.200 0.067 0.000 0.800 185 S HN 0.602 nan 8.310 nan 0.000 0.484 186 N N 1.435 120.197 118.700 0.104 0.000 2.250 186 N HA 0.122 4.861 4.740 -0.002 0.000 0.181 186 N C 1.691 177.035 175.510 -0.277 0.000 1.017 186 N CA 0.674 53.684 53.050 -0.067 0.000 0.866 186 N CB -0.623 37.825 38.487 -0.065 0.000 0.985 186 N HN 0.331 nan 8.380 nan 0.000 0.429 187 L N 1.389 122.617 121.223 0.007 0.000 1.990 187 L HA -0.228 4.110 4.340 -0.002 0.000 0.213 187 L C 2.148 178.973 176.870 -0.075 0.000 1.072 187 L CA 1.524 56.366 54.840 0.003 0.000 0.755 187 L CB -0.366 41.763 42.059 0.117 0.000 0.889 187 L HN 0.269 nan 8.230 nan 0.000 0.432 188 E N -0.329 119.864 120.200 -0.012 0.000 2.048 188 E HA -0.343 4.005 4.350 -0.002 0.000 0.202 188 E C 2.153 178.724 176.600 -0.048 0.000 1.021 188 E CA 1.493 57.884 56.400 -0.016 0.000 0.825 188 E CB -0.308 29.404 29.700 0.019 0.000 0.756 188 E HN 0.573 nan 8.360 nan 0.000 0.454 189 A N 0.945 123.734 122.820 -0.052 0.000 1.915 189 A HA -0.252 4.067 4.320 -0.002 0.000 0.220 189 A C 2.204 179.739 177.584 -0.083 0.000 1.198 189 A CA 1.781 53.801 52.037 -0.029 0.000 0.647 189 A CB -0.786 18.244 19.000 0.050 0.000 0.825 189 A HN 0.128 nan 8.150 nan 0.000 0.456 190 L N -0.685 120.390 121.223 -0.246 0.000 2.005 190 L HA -0.118 4.221 4.340 -0.002 0.000 0.207 190 L C 2.540 179.325 176.870 -0.142 0.000 1.072 190 L CA 1.491 56.191 54.840 -0.234 0.000 0.744 190 L CB -0.578 41.257 42.059 -0.374 0.000 0.895 190 L HN 0.386 nan 8.230 nan 0.000 0.433 191 L N -0.957 120.190 121.223 -0.125 0.000 2.129 191 L HA -0.269 4.070 4.340 -0.002 0.000 0.212 191 L C 2.378 179.193 176.870 -0.092 0.000 1.087 191 L CA 1.301 56.081 54.840 -0.099 0.000 0.757 191 L CB -0.506 41.508 42.059 -0.076 0.000 0.896 191 L HN 0.307 nan 8.230 nan 0.000 0.434 192 I N -1.021 119.508 120.570 -0.068 0.000 2.277 192 I HA -0.225 3.944 4.170 -0.002 0.000 0.243 192 I C 2.544 178.627 176.117 -0.058 0.000 1.094 192 I CA 0.977 62.251 61.300 -0.044 0.000 1.393 192 I CB -0.207 37.794 38.000 0.001 0.000 1.078 192 I HN 0.282 nan 8.210 nan 0.000 0.417 193 Q N 0.697 120.460 119.800 -0.061 0.000 2.167 193 Q HA -0.150 4.189 4.340 -0.002 0.000 0.202 193 Q C 2.231 178.147 176.000 -0.140 0.000 0.970 193 Q CA 1.564 57.315 55.803 -0.087 0.000 0.855 193 Q CB 0.003 28.706 28.738 -0.058 0.000 0.911 193 Q HN 0.678 nan 8.270 nan 0.000 0.438 194 I N -4.204 116.270 120.570 -0.160 0.000 3.462 194 I HA 0.314 4.483 4.170 -0.002 0.000 0.290 194 I C 0.929 176.929 176.117 -0.194 0.000 1.236 194 I CA 0.438 61.608 61.300 -0.216 0.000 1.418 194 I CB -0.276 37.524 38.000 -0.333 0.000 1.102 194 I HN 0.073 nan 8.210 nan 0.000 0.441 195 G N 4.592 113.289 108.800 -0.173 0.000 2.334 195 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.279 195 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.279 195 G C -2.207 172.595 174.900 -0.163 0.000 0.918 195 G CA 0.093 45.082 45.100 -0.184 0.000 1.314 195 G HN 0.464 nan 8.290 nan 0.000 0.463 196 P HA 0.391 nan 4.420 nan 0.000 0.280 196 P C 0.427 177.674 177.300 -0.089 0.000 1.272 196 P CA -0.789 62.251 63.100 -0.099 0.000 0.819 196 P CB 1.000 32.650 31.700 -0.083 0.000 1.122 197 K N -1.344 119.018 120.400 -0.063 0.000 2.402 197 K HA 0.347 4.665 4.320 -0.002 0.000 0.204 197 K C 0.224 176.794 176.600 -0.050 0.000 1.056 197 K CA -0.152 56.099 56.287 -0.059 0.000 1.069 197 K CB 1.051 33.521 32.500 -0.051 0.000 0.888 197 K HN 0.363 nan 8.250 nan 0.000 0.546 198 E N 0.779 120.949 120.200 -0.049 0.000 2.308 198 E HA 0.330 4.679 4.350 -0.002 0.000 0.275 198 E C -2.066 174.467 176.600 -0.111 0.000 0.890 198 E CA -0.910 55.447 56.400 -0.071 0.000 0.754 198 E CB 2.347 32.028 29.700 -0.032 0.000 1.207 198 E HN 0.265 nan 8.360 nan 0.000 0.426 199 C N 4.257 123.467 119.300 -0.150 0.000 2.626 199 C HA 0.771 5.229 4.460 -0.002 0.000 0.310 199 C C -1.047 173.811 174.990 -0.220 0.000 1.191 199 C CA -0.358 58.565 59.018 -0.160 0.000 1.517 199 C CB 0.563 28.231 27.740 -0.120 0.000 2.102 199 C HN 0.557 nan 8.230 nan 0.000 0.479 200 V N 4.822 124.600 119.914 -0.228 0.000 2.459 200 V HA 0.801 4.920 4.120 -0.002 0.000 0.295 200 V C -0.726 175.275 176.094 -0.155 0.000 1.029 200 V CA -0.445 61.710 62.300 -0.241 0.000 0.874 200 V CB 1.229 32.862 31.823 -0.316 0.000 0.985 200 V HN 0.865 nan 8.190 nan 0.000 0.438 201 L N 4.008 125.151 121.223 -0.133 0.000 2.350 201 L HA 0.561 4.899 4.340 -0.002 0.000 0.260 201 L C -1.861 174.962 176.870 -0.079 0.000 1.015 201 L CA -1.849 52.928 54.840 -0.104 0.000 0.821 201 L CB 2.885 44.882 42.059 -0.103 0.000 1.370 201 L HN 0.322 nan 8.230 nan 0.000 0.416 202 P HA -0.072 nan 4.420 nan 0.000 0.218 202 P C 0.435 177.714 177.300 -0.035 0.000 1.149 202 P CA 1.146 64.221 63.100 -0.042 0.000 0.817 202 P CB 0.199 31.876 31.700 -0.037 0.000 0.785 203 G N -1.004 107.771 108.800 -0.042 0.000 2.531 203 G HA2 0.164 4.122 3.960 -0.002 0.000 0.283 203 G HA3 0.164 4.122 3.960 -0.002 0.000 0.283 203 G C 0.160 175.046 174.900 -0.023 0.000 1.068 203 G CA -0.403 44.676 45.100 -0.034 0.000 1.273 203 G HN 0.646 nan 8.290 nan 0.000 0.532 204 G N 0.343 109.129 108.800 -0.023 0.000 2.455 204 G HA2 0.744 4.703 3.960 -0.002 0.000 0.298 204 G HA3 0.744 4.703 3.960 -0.002 0.000 0.298 204 G C -0.714 174.179 174.900 -0.012 0.000 1.349 204 G CA 0.209 45.300 45.100 -0.014 0.000 1.220 204 G HN 1.172 nan 8.290 nan 0.000 0.598 205 E N 0.107 120.302 120.200 -0.007 0.000 2.256 205 E HA 0.790 5.138 4.350 -0.002 0.000 0.267 205 E C -0.424 176.178 176.600 0.003 0.000 0.892 205 E CA -1.156 55.243 56.400 -0.001 0.000 0.775 205 E CB 2.328 32.028 29.700 0.000 0.000 1.207 205 E HN 0.385 nan 8.360 nan 0.000 0.420 206 T N -0.673 113.885 114.554 0.007 0.000 3.734 206 T HA 0.570 4.919 4.350 -0.002 0.000 0.238 206 T C 0.176 174.882 174.700 0.011 0.000 1.205 206 T CA -0.366 61.739 62.100 0.008 0.000 1.606 206 T CB 0.344 69.216 68.868 0.006 0.000 0.832 206 T HN 1.284 nan 8.240 nan 0.000 0.655 207 A N -0.537 122.291 122.820 0.013 0.000 2.475 207 A HA 0.308 4.627 4.320 -0.002 0.000 0.295 207 A C 0.866 178.462 177.584 0.020 0.000 1.457 207 A CA 0.693 52.739 52.037 0.016 0.000 0.734 207 A CB -1.483 17.525 19.000 0.014 0.000 1.118 207 A HN 1.965 nan 8.150 nan 0.000 0.400 208 G N -0.837 107.979 108.800 0.028 0.000 2.772 208 G HA2 0.537 4.496 3.960 -0.002 0.000 0.284 208 G HA3 0.537 4.496 3.960 -0.002 0.000 0.284 208 G C 0.105 175.042 174.900 0.062 0.000 1.217 208 G CA 0.511 45.633 45.100 0.037 0.000 0.831 208 G HN 0.125 nan 8.290 nan 0.000 0.523 209 D N 0.008 120.462 120.400 0.090 0.000 2.182 209 D HA -0.088 4.551 4.640 -0.002 0.000 0.201 209 D C 2.598 178.988 176.300 0.149 0.000 0.986 209 D CA 0.876 54.984 54.000 0.180 0.000 0.847 209 D CB -0.006 40.949 40.800 0.257 0.000 0.942 209 D HN 0.104 nan 8.370 nan 0.000 0.467 210 M N 0.140 119.778 119.600 0.064 0.000 2.144 210 M HA -0.076 4.403 4.480 -0.002 0.000 0.260 210 M C 2.304 178.604 176.300 -0.000 0.000 1.067 210 M CA 1.276 56.579 55.300 0.005 0.000 1.095 210 M CB -1.365 31.232 32.600 -0.006 0.000 1.365 210 M HN 0.070 nan 8.290 nan 0.000 0.406 211 G N -0.596 108.219 108.800 0.025 0.000 2.422 211 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.218 211 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.218 211 G C 1.803 176.721 174.900 0.029 0.000 1.146 211 G CA 0.956 46.068 45.100 0.020 0.000 0.769 211 G HN 0.441 nan 8.290 nan 0.000 0.547 212 K N -0.448 119.995 120.400 0.072 0.000 2.356 212 K HA 0.337 4.656 4.320 -0.002 0.000 0.195 212 K C 2.283 178.929 176.600 0.076 0.000 1.037 212 K CA -0.154 56.195 56.287 0.103 0.000 1.014 212 K CB -0.089 32.505 32.500 0.158 0.000 0.815 212 K HN 0.262 nan 8.250 nan 0.000 0.507 213 L N 0.537 121.738 121.223 -0.036 0.000 2.017 213 L HA -0.182 4.156 4.340 -0.002 0.000 0.208 213 L C 2.308 179.068 176.870 -0.183 0.000 1.073 213 L CA 1.437 56.095 54.840 -0.304 0.000 0.745 213 L CB -0.201 41.613 42.059 -0.408 0.000 0.894 213 L HN 0.165 nan 8.230 nan 0.000 0.432 214 R N -0.487 119.948 120.500 -0.109 0.000 2.081 214 R HA -0.197 4.142 4.340 -0.002 0.000 0.235 214 R C 2.157 178.422 176.300 -0.058 0.000 1.131 214 R CA 1.431 57.481 56.100 -0.083 0.000 0.960 214 R CB -0.328 29.937 30.300 -0.059 0.000 0.856 214 R HN 0.486 nan 8.270 nan 0.000 0.436 215 Q N -0.068 119.714 119.800 -0.030 0.000 2.436 215 Q HA -0.005 4.334 4.340 -0.002 0.000 0.209 215 Q C 1.688 177.686 176.000 -0.003 0.000 0.965 215 Q CA 0.471 56.268 55.803 -0.010 0.000 0.910 215 Q CB 0.296 29.039 28.738 0.009 0.000 0.980 215 Q HN 0.302 nan 8.270 nan 0.000 0.491 216 I N -0.019 120.547 120.570 -0.006 0.000 2.852 216 I HA -0.108 4.061 4.170 -0.002 0.000 0.264 216 I C 1.913 178.015 176.117 -0.024 0.000 1.179 216 I CA 0.996 62.302 61.300 0.009 0.000 1.480 216 I CB -0.353 37.678 38.000 0.051 0.000 1.111 216 I HN 0.234 nan 8.210 nan 0.000 0.441 217 I N 0.185 120.722 120.570 -0.055 0.000 2.406 217 I HA -0.221 3.947 4.170 -0.002 0.000 0.249 217 I C 2.508 178.592 176.117 -0.054 0.000 1.122 217 I CA 0.723 61.983 61.300 -0.066 0.000 1.431 217 I CB -0.201 37.744 38.000 -0.092 0.000 1.087 217 I HN 0.227 nan 8.210 nan 0.000 0.424 218 Q N 1.330 121.101 119.800 -0.048 0.000 1.948 218 Q HA -0.166 4.173 4.340 -0.002 0.000 0.205 218 Q C 0.890 176.872 176.000 -0.031 0.000 0.992 218 Q CA 1.139 56.917 55.803 -0.042 0.000 0.849 218 Q CB -0.316 28.401 28.738 -0.035 0.000 0.918 218 Q HN 0.506 nan 8.270 nan 0.000 0.421 219 R N 0.240 120.729 120.500 -0.017 0.000 2.413 219 R HA 0.170 4.509 4.340 -0.002 0.000 0.333 219 R C 0.311 176.605 176.300 -0.010 0.000 1.074 219 R CA 0.825 56.920 56.100 -0.008 0.000 0.982 219 R CB -0.015 30.287 30.300 0.003 0.000 0.981 219 R HN 0.405 nan 8.270 nan 0.000 0.452 220 G N 0.958 109.749 108.800 -0.015 0.000 3.859 220 G HA2 0.039 3.997 3.960 -0.002 0.000 0.220 220 G HA3 0.039 3.997 3.960 -0.002 0.000 0.220 220 G C 0.719 175.600 174.900 -0.032 0.000 0.892 220 G CA -0.206 44.882 45.100 -0.020 0.000 0.858 220 G HN 1.123 nan 8.290 nan 0.000 0.625 221 G N -0.198 108.581 108.800 -0.034 0.000 2.159 221 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.256 221 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.256 221 G C 0.251 175.117 174.900 -0.056 0.000 0.977 221 G CA 0.469 45.544 45.100 -0.041 0.000 0.652 221 G HN 1.030 nan 8.290 nan 0.000 0.531 222 I N 0.709 121.242 120.570 -0.062 0.000 2.474 222 I HA 0.472 4.641 4.170 -0.002 0.000 0.287 222 I C 0.703 176.773 176.117 -0.078 0.000 1.048 222 I CA -0.827 60.431 61.300 -0.071 0.000 1.383 222 I CB 1.223 39.178 38.000 -0.076 0.000 1.412 222 I HN 0.163 nan 8.210 nan 0.000 0.531 223 L N 7.790 128.964 121.223 -0.081 0.000 2.360 223 L HA 0.384 4.722 4.340 -0.002 0.000 0.276 223 L C -0.276 176.534 176.870 -0.100 0.000 1.121 223 L CA 0.390 55.175 54.840 -0.092 0.000 0.845 223 L CB 0.040 42.050 42.059 -0.083 0.000 1.143 223 L HN 0.370 nan 8.230 nan 0.000 0.452 224 I N 5.055 125.565 120.570 -0.099 0.000 2.352 224 I HA 0.180 4.349 4.170 -0.002 0.000 0.290 224 I C -0.156 175.897 176.117 -0.107 0.000 1.036 224 I CA -0.071 61.167 61.300 -0.104 0.000 1.336 224 I CB 0.592 38.539 38.000 -0.089 0.000 1.407 224 I HN 0.598 nan 8.210 nan 0.000 0.497 225 T N 5.665 120.132 114.554 -0.144 0.000 2.977 225 T HA 0.231 4.579 4.350 -0.002 0.000 0.346 225 T C -0.224 174.388 174.700 -0.146 0.000 1.140 225 T CA -0.665 61.347 62.100 -0.146 0.000 1.040 225 T CB 0.304 69.029 68.868 -0.237 0.000 1.046 225 T HN 0.473 nan 8.240 nan 0.000 0.494 226 E N 3.031 123.180 120.200 -0.084 0.000 2.290 226 E HA 0.310 4.659 4.350 -0.002 0.000 0.277 226 E C 0.213 176.788 176.600 -0.042 0.000 1.035 226 E CA -0.212 56.148 56.400 -0.067 0.000 0.873 226 E CB 1.165 30.838 29.700 -0.044 0.000 1.029 226 E HN 0.312 nan 8.360 nan 0.000 0.419 227 R N 2.179 122.653 120.500 -0.045 0.000 2.854 227 R HA 0.364 4.703 4.340 -0.002 0.000 0.271 227 R C -0.586 175.710 176.300 -0.006 0.000 0.996 227 R CA -0.986 55.108 56.100 -0.010 0.000 0.961 227 R CB 1.782 32.084 30.300 0.004 0.000 1.182 227 R HN 0.326 nan 8.270 nan 0.000 0.479 228 K N 2.068 122.473 120.400 0.008 0.000 2.292 228 K HA 0.187 4.506 4.320 -0.002 0.000 0.270 228 K C -0.358 176.248 176.600 0.011 0.000 1.062 228 K CA -0.363 55.928 56.287 0.006 0.000 0.916 228 K CB 1.098 33.602 32.500 0.007 0.000 1.166 228 K HN 0.460 nan 8.250 nan 0.000 0.458 229 K N 0.832 121.241 120.400 0.015 0.000 2.948 229 K HA -0.273 4.045 4.320 -0.002 0.000 0.253 229 K C 0.427 177.056 176.600 0.048 0.000 0.970 229 K CA 0.711 57.022 56.287 0.039 0.000 0.716 229 K CB -1.194 31.335 32.500 0.047 0.000 1.249 229 K HN 0.758 nan 8.250 nan 0.000 0.483 230 A N 0.281 123.115 122.820 0.025 0.000 2.302 230 A HA -0.017 4.302 4.320 -0.002 0.000 0.219 230 A C 0.989 178.580 177.584 0.011 0.000 1.243 230 A CA 0.290 52.336 52.037 0.014 0.000 0.856 230 A CB 0.167 19.173 19.000 0.010 0.000 0.893 230 A HN 0.252 nan 8.150 nan 0.000 0.491 231 D N -1.121 119.295 120.400 0.027 0.000 2.328 231 D HA 0.093 4.732 4.640 -0.002 0.000 0.221 231 D C -0.371 175.932 176.300 0.005 0.000 1.072 231 D CA -0.016 53.981 54.000 -0.005 0.000 0.850 231 D CB -0.038 40.744 40.800 -0.029 0.000 0.922 231 D HN 0.446 nan 8.370 nan 0.000 0.516 232 F N 2.081 121.981 119.950 -0.082 0.000 2.541 232 F HA -0.077 4.449 4.527 -0.001 0.000 0.378 232 F C 1.891 177.633 175.800 -0.098 0.000 1.068 232 F CA -0.081 57.871 58.000 -0.079 0.000 1.199 232 F CB 0.838 39.795 39.000 -0.072 0.000 1.091 232 F HN -0.178 nan 8.300 nan 0.000 0.555 233 S N 0.912 116.478 115.700 -0.222 0.000 2.607 233 S HA -0.087 4.382 4.470 -0.002 0.000 0.224 233 S C 0.932 175.511 174.600 -0.035 0.000 0.969 233 S CA 0.388 58.506 58.200 -0.137 0.000 0.927 233 S CB -1.094 61.991 63.200 -0.191 0.000 0.772 233 S HN 0.714 nan 8.310 nan 0.000 0.533 234 T N 0.516 115.136 114.554 0.110 0.000 3.842 234 T HA 0.378 4.726 4.350 -0.002 0.000 0.267 234 T C 0.371 175.125 174.700 0.090 0.000 1.173 234 T CA -0.594 61.591 62.100 0.142 0.000 1.142 234 T CB 0.055 69.082 68.868 0.265 0.000 1.191 234 T HN 0.464 nan 8.240 nan 0.000 0.895 235 K N 1.367 121.800 120.400 0.056 0.000 2.758 235 K HA 0.278 4.596 4.320 -0.002 0.000 0.247 235 K C 0.765 177.503 176.600 0.230 0.000 1.155 235 K CA -0.248 56.105 56.287 0.110 0.000 1.011 235 K CB 0.053 32.551 32.500 -0.003 0.000 1.633 235 K HN 0.262 nan 8.250 nan 0.000 0.438 236 D N 0.206 120.686 120.400 0.133 0.000 4.356 236 D HA -0.285 4.353 4.640 -0.002 0.000 0.223 236 D C 1.430 177.785 176.300 0.092 0.000 1.133 236 D CA 2.407 56.463 54.000 0.092 0.000 2.270 236 D CB -1.217 39.623 40.800 0.067 0.000 1.185 236 D HN 0.261 nan 8.370 nan 0.000 0.408 237 I N 0.198 120.825 120.570 0.096 0.000 2.286 237 I HA -0.256 3.913 4.170 -0.002 0.000 0.248 237 I C 2.413 178.507 176.117 -0.039 0.000 1.115 237 I CA 1.329 62.626 61.300 -0.005 0.000 1.392 237 I CB -0.425 37.528 38.000 -0.079 0.000 1.065 237 I HN 0.169 nan 8.210 nan 0.000 0.418 238 Y N 1.114 121.404 120.300 -0.018 0.000 2.200 238 Y HA -0.235 4.313 4.550 -0.003 0.000 0.290 238 Y C 2.800 178.669 175.900 -0.052 0.000 1.137 238 Y CA 1.324 59.403 58.100 -0.035 0.000 1.163 238 Y CB -0.434 38.003 38.460 -0.037 0.000 0.988 238 Y HN 0.166 nan 8.280 nan 0.000 0.518 239 Q N -0.124 119.753 119.800 0.129 0.000 2.079 239 Q HA -0.172 4.167 4.340 -0.002 0.000 0.200 239 Q C 1.461 177.472 176.000 0.018 0.000 0.974 239 Q CA 1.544 57.369 55.803 0.036 0.000 0.840 239 Q CB -0.154 28.598 28.738 0.025 0.000 0.898 239 Q HN 0.419 nan 8.270 nan 0.000 0.430 240 D N 0.733 121.149 120.400 0.026 0.000 2.264 240 D HA -0.085 4.553 4.640 -0.002 0.000 0.208 240 D C 1.047 177.363 176.300 0.027 0.000 0.966 240 D CA 0.797 54.810 54.000 0.022 0.000 0.864 240 D CB 0.017 40.827 40.800 0.017 0.000 0.933 240 D HN 0.182 nan 8.370 nan 0.000 0.499 241 L N 0.381 121.617 121.223 0.021 0.000 2.713 241 L HA 0.073 4.412 4.340 -0.002 0.000 0.245 241 L C -0.027 176.889 176.870 0.078 0.000 1.169 241 L CA 0.235 55.099 54.840 0.039 0.000 0.962 241 L CB -0.298 41.773 42.059 0.020 0.000 1.161 241 L HN -0.059 nan 8.230 nan 0.000 0.427 242 N N -0.307 118.435 118.700 0.070 0.000 2.308 242 N HA 0.338 5.077 4.740 -0.002 0.000 0.283 242 N C -0.528 175.043 175.510 0.103 0.000 1.105 242 N CA -0.693 52.428 53.050 0.117 0.000 0.840 242 N CB 1.804 40.300 38.487 0.015 0.000 1.633 242 N HN -0.011 nan 8.380 nan 0.000 0.476 248 K N 1.348 121.746 120.400 -0.004 0.000 2.095 248 K HA 0.329 4.648 4.320 -0.002 0.000 0.258 248 K C 0.345 176.946 176.600 0.002 0.000 1.120 248 K CA 0.027 56.314 56.287 0.001 0.000 1.026 248 K CB 0.742 33.243 32.500 0.003 0.000 1.256 248 K HN 0.397 nan 8.250 nan 0.000 0.360 249 K N 1.411 121.812 120.400 0.002 0.000 3.013 249 K HA 0.106 4.424 4.320 -0.002 0.000 0.321 249 K C 0.933 177.536 176.600 0.004 0.000 1.004 249 K CA -0.203 56.085 56.287 0.002 0.000 1.441 249 K CB -0.103 32.398 32.500 0.001 0.000 1.653 249 K HN 0.614 nan 8.250 nan 0.000 0.661 250 G N 1.628 110.430 108.800 0.004 0.000 2.916 250 G HA2 0.007 3.966 3.960 -0.002 0.000 0.280 250 G HA3 0.007 3.966 3.960 -0.002 0.000 0.280 250 G C -0.054 174.850 174.900 0.007 0.000 0.758 250 G CA 0.060 45.163 45.100 0.005 0.000 1.993 250 G HN 0.422 nan 8.290 nan 0.000 0.564 251 E N 1.038 121.244 120.200 0.009 0.000 2.447 251 E HA -0.065 4.284 4.350 -0.002 0.000 0.195 251 E C 2.065 178.673 176.600 0.014 0.000 1.028 251 E CA 0.168 56.575 56.400 0.012 0.000 0.876 251 E CB 0.353 30.063 29.700 0.016 0.000 0.885 251 E HN 0.637 nan 8.360 nan 0.000 0.500 252 Q N 0.200 120.008 119.800 0.013 0.000 2.119 252 Q HA -0.079 4.259 4.340 -0.002 0.000 0.201 252 Q C 2.128 178.135 176.000 0.011 0.000 0.972 252 Q CA 0.941 56.751 55.803 0.013 0.000 0.847 252 Q CB 0.012 28.757 28.738 0.011 0.000 0.903 252 Q HN 0.266 nan 8.270 nan 0.000 0.433 253 M N 0.944 120.549 119.600 0.008 0.000 2.106 253 M HA -0.190 4.289 4.480 -0.002 0.000 0.259 253 M C 1.528 177.831 176.300 0.006 0.000 1.068 253 M CA 1.324 56.628 55.300 0.006 0.000 1.100 253 M CB -1.122 31.481 32.600 0.005 0.000 1.351 253 M HN 0.228 nan 8.290 nan 0.000 0.404 254 N N 1.346 120.049 118.700 0.007 0.000 2.036 254 N HA -0.103 4.636 4.740 -0.002 0.000 0.195 254 N C 0.911 176.424 175.510 0.005 0.000 1.037 254 N CA 1.502 54.555 53.050 0.005 0.000 0.855 254 N CB -0.759 37.732 38.487 0.007 0.000 1.033 254 N HN 0.428 nan 8.380 nan 0.000 0.423 255 S N -0.494 115.211 115.700 0.008 0.000 4.051 255 S HA 0.566 5.034 4.470 -0.002 0.000 0.215 255 S C 0.559 175.162 174.600 0.006 0.000 1.289 255 S CA 0.035 58.239 58.200 0.006 0.000 0.907 255 S CB 0.197 63.403 63.200 0.009 0.000 1.603 255 S HN 0.413 nan 8.310 nan 0.000 0.453 256 A N 2.089 124.911 122.820 0.003 0.000 1.621 256 A HA 0.470 4.789 4.320 -0.002 0.000 0.212 256 A C 0.523 178.106 177.584 -0.002 0.000 1.760 256 A CA 0.124 52.163 52.037 0.003 0.000 1.251 256 A CB 0.456 19.459 19.000 0.005 0.000 1.168 256 A HN 0.816 nan 8.150 nan 0.000 0.463 257 V N 2.367 122.279 119.914 -0.002 0.000 2.759 257 V HA 0.347 4.466 4.120 -0.002 0.000 0.342 257 V C -0.211 175.880 176.094 -0.006 0.000 1.228 257 V CA -0.229 62.068 62.300 -0.005 0.000 1.302 257 V CB -0.008 31.812 31.823 -0.004 0.000 1.496 257 V HN 0.412 nan 8.190 nan 0.000 0.628 258 L N 2.778 123.997 121.223 -0.007 0.000 2.483 258 L HA 0.177 4.516 4.340 -0.002 0.000 0.275 258 L C -0.258 176.607 176.870 -0.009 0.000 1.220 258 L CA -0.984 53.852 54.840 -0.007 0.000 0.833 258 L CB 0.726 42.780 42.059 -0.008 0.000 1.102 258 L HN 0.202 nan 8.230 nan 0.000 0.490 259 P HA -0.139 nan 4.420 nan 0.000 0.220 259 P C 0.915 178.210 177.300 -0.007 0.000 1.148 259 P CA 1.572 64.668 63.100 -0.008 0.000 0.803 259 P CB 0.157 31.852 31.700 -0.008 0.000 0.782 260 E N -0.316 119.878 120.200 -0.010 0.000 2.435 260 E HA 0.043 4.392 4.350 -0.002 0.000 0.195 260 E C 1.792 178.384 176.600 -0.013 0.000 1.029 260 E CA 0.609 57.003 56.400 -0.010 0.000 0.865 260 E CB -0.954 28.737 29.700 -0.016 0.000 0.833 260 E HN 0.087 nan 8.360 nan 0.000 0.510 261 M N 0.932 120.522 119.600 -0.016 0.000 2.619 261 M HA 0.026 4.505 4.480 -0.002 0.000 0.251 261 M C 1.931 178.218 176.300 -0.021 0.000 1.106 261 M CA 1.229 56.517 55.300 -0.021 0.000 1.086 261 M CB -0.386 32.202 32.600 -0.020 0.000 1.465 261 M HN 0.723 nan 8.290 nan 0.000 0.506 262 E N -0.158 120.034 120.200 -0.014 0.000 2.515 262 E HA -0.106 4.243 4.350 -0.002 0.000 0.201 262 E C -0.072 176.519 176.600 -0.015 0.000 1.071 262 E CA 0.495 56.887 56.400 -0.013 0.000 0.880 262 E CB -0.354 29.342 29.700 -0.006 0.000 0.828 262 E HN 0.287 nan 8.360 nan 0.000 0.540 263 N N 1.226 119.918 118.700 -0.014 0.000 3.188 263 N HA 0.037 4.775 4.740 -0.002 0.000 0.279 263 N C 1.070 176.557 175.510 -0.039 0.000 1.213 263 N CA 0.614 53.654 53.050 -0.016 0.000 1.138 263 N CB 0.857 39.346 38.487 0.003 0.000 1.417 263 N HN 0.454 nan 8.380 nan 0.000 0.526 264 Q N 0.138 119.909 119.800 -0.049 0.000 2.096 264 Q HA -0.091 4.247 4.340 -0.002 0.000 0.204 264 Q C 1.929 177.878 176.000 -0.084 0.000 0.982 264 Q CA 1.733 57.494 55.803 -0.069 0.000 0.850 264 Q CB -0.634 28.061 28.738 -0.073 0.000 0.901 264 Q HN 0.369 nan 8.270 nan 0.000 0.422 265 V N 0.290 120.153 119.914 -0.084 0.000 2.591 265 V HA -0.020 4.098 4.120 -0.002 0.000 0.249 265 V C 2.743 178.783 176.094 -0.090 0.000 1.053 265 V CA 1.352 63.593 62.300 -0.097 0.000 1.068 265 V CB -0.786 30.972 31.823 -0.109 0.000 0.689 265 V HN 0.720 nan 8.190 nan 0.000 0.462 266 A N -0.023 122.754 122.820 -0.071 0.000 1.968 266 A HA -0.073 4.246 4.320 -0.002 0.000 0.217 266 A C 2.337 179.886 177.584 -0.058 0.000 1.169 266 A CA 1.602 53.609 52.037 -0.050 0.000 0.638 266 A CB -0.436 18.556 19.000 -0.014 0.000 0.812 266 A HN 0.329 nan 8.150 nan 0.000 0.446 267 V N -0.178 119.696 119.914 -0.066 0.000 2.453 267 V HA -0.172 3.946 4.120 -0.002 0.000 0.247 267 V C 2.726 178.768 176.094 -0.085 0.000 1.048 267 V CA 2.141 64.396 62.300 -0.075 0.000 1.049 267 V CB -0.667 31.114 31.823 -0.071 0.000 0.672 267 V HN 0.538 nan 8.190 nan 0.000 0.457 268 S N 0.990 116.633 115.700 -0.095 0.000 2.368 268 S HA -0.199 4.270 4.470 -0.002 0.000 0.225 268 S C 2.227 176.777 174.600 -0.083 0.000 1.030 268 S CA 1.788 59.925 58.200 -0.104 0.000 0.999 268 S CB -0.367 62.759 63.200 -0.123 0.000 0.844 268 S HN 0.818 nan 8.310 nan 0.000 0.459 269 S N 1.574 117.228 115.700 -0.076 0.000 2.406 269 S HA 0.047 4.515 4.470 -0.002 0.000 0.228 269 S C 1.763 176.330 174.600 -0.056 0.000 1.020 269 S CA 0.537 58.698 58.200 -0.064 0.000 0.965 269 S CB -0.500 62.665 63.200 -0.058 0.000 0.798 269 S HN 0.306 nan 8.310 nan 0.000 0.488 270 L N 2.174 123.358 121.223 -0.064 0.000 2.191 270 L HA 0.073 4.412 4.340 -0.002 0.000 0.212 270 L C 2.560 179.384 176.870 -0.077 0.000 1.103 270 L CA 1.597 56.393 54.840 -0.074 0.000 0.769 270 L CB -1.198 40.802 42.059 -0.099 0.000 0.908 270 L HN 0.443 nan 8.230 nan 0.000 0.438 271 S N -0.745 114.906 115.700 -0.080 0.000 2.356 271 S HA -0.194 4.275 4.470 -0.002 0.000 0.223 271 S C 2.198 176.759 174.600 -0.065 0.000 1.032 271 S CA 1.279 59.425 58.200 -0.091 0.000 1.005 271 S CB -0.413 62.732 63.200 -0.092 0.000 0.867 271 S HN 0.652 nan 8.310 nan 0.000 0.449 272 A N 0.679 123.474 122.820 -0.042 0.000 1.908 272 A HA -0.039 4.280 4.320 -0.002 0.000 0.218 272 A C 2.298 179.903 177.584 0.036 0.000 1.181 272 A CA 1.937 53.967 52.037 -0.011 0.000 0.627 272 A CB -0.943 18.037 19.000 -0.034 0.000 0.818 272 A HN 0.490 nan 8.150 nan 0.000 0.445 273 V N 0.848 120.772 119.914 0.017 0.000 2.453 273 V HA -0.205 3.914 4.120 -0.002 0.000 0.247 273 V C 2.397 178.523 176.094 0.053 0.000 1.048 273 V CA 1.648 63.990 62.300 0.070 0.000 1.049 273 V CB -0.950 30.896 31.823 0.039 0.000 0.672 273 V HN 0.776 nan 8.190 nan 0.000 0.457 274 I N -2.093 118.461 120.570 -0.028 0.000 3.001 274 I HA -0.051 4.117 4.170 -0.002 0.000 0.268 274 I C 1.964 178.058 176.117 -0.038 0.000 1.267 274 I CA 1.498 62.753 61.300 -0.076 0.000 1.472 274 I CB -0.370 37.557 38.000 -0.122 0.000 1.089 274 I HN 0.154 nan 8.210 nan 0.000 0.468 275 K N -0.211 120.192 120.400 0.004 0.000 2.367 275 K HA 0.152 4.470 4.320 -0.002 0.000 0.195 275 K C 1.563 178.209 176.600 0.076 0.000 1.060 275 K CA 0.298 56.597 56.287 0.020 0.000 1.022 275 K CB 0.079 32.573 32.500 -0.009 0.000 0.894 275 K HN 0.223 nan 8.250 nan 0.000 0.540 276 F N 2.005 121.936 119.950 -0.031 0.000 2.118 276 F HA 0.112 4.638 4.527 -0.003 0.000 0.293 276 F C 0.455 176.252 175.800 -0.005 0.000 1.102 276 F CA 0.561 58.553 58.000 -0.014 0.000 1.247 276 F CB 0.126 39.118 39.000 -0.012 0.000 1.017 276 F HN -0.242 nan 8.300 nan 0.000 0.475 277 L N 1.861 123.061 121.223 -0.039 0.000 2.380 277 L HA 0.135 4.474 4.340 -0.002 0.000 0.273 277 L C 0.701 177.512 176.870 -0.098 0.000 1.138 277 L CA -0.429 54.340 54.840 -0.119 0.000 0.832 277 L CB 0.473 42.530 42.059 -0.003 0.000 1.124 277 L HN 0.054 nan 8.230 nan 0.000 0.454 278 E N 3.309 123.452 120.200 -0.095 0.000 2.528 278 E HA -0.031 4.317 4.350 -0.002 0.000 0.237 278 E C 1.274 177.852 176.600 -0.038 0.000 1.408 278 E CA -0.065 56.305 56.400 -0.050 0.000 1.571 278 E CB 0.061 29.742 29.700 -0.032 0.000 1.395 278 E HN 0.502 nan 8.360 nan 0.000 0.438 279 L N 0.059 121.214 121.223 -0.113 0.000 2.270 279 L HA -0.174 4.164 4.340 -0.002 0.000 0.217 279 L C 1.129 177.782 176.870 -0.362 0.000 1.107 279 L CA 1.527 56.177 54.840 -0.316 0.000 0.772 279 L CB 0.004 41.846 42.059 -0.362 0.000 0.902 279 L HN 0.242 nan 8.230 nan 0.000 0.439 280 L N -1.357 119.793 121.223 -0.123 0.000 2.959 280 L HA 0.231 4.569 4.340 -0.002 0.000 0.236 280 L C 0.791 177.683 176.870 0.036 0.000 1.296 280 L CA -0.080 54.737 54.840 -0.039 0.000 1.047 280 L CB 0.023 42.076 42.059 -0.010 0.000 1.395 280 L HN -0.016 nan 8.230 nan 0.000 0.492 281 S N -1.949 113.808 115.700 0.096 0.000 2.648 281 S HA 0.136 4.605 4.470 -0.002 0.000 0.270 281 S C 0.088 174.772 174.600 0.140 0.000 1.082 281 S CA -0.357 57.900 58.200 0.095 0.000 1.116 281 S CB 0.806 64.046 63.200 0.066 0.000 1.040 281 S HN 0.319 nan 8.310 nan 0.000 0.572 282 D N 3.745 124.305 120.400 0.268 0.000 2.441 282 D HA 0.299 4.938 4.640 -0.002 0.000 0.221 282 D C -1.054 175.367 176.300 0.202 0.000 1.156 282 D CA -0.137 53.998 54.000 0.226 0.000 0.896 282 D CB 0.564 41.502 40.800 0.231 0.000 1.028 282 D HN 0.123 nan 8.370 nan 0.000 0.509 283 D N 0.691 121.155 120.400 0.107 0.000 2.450 283 D HA -0.013 4.625 4.640 -0.002 0.000 0.247 283 D C 1.123 177.453 176.300 0.051 0.000 1.162 283 D CA 0.343 54.392 54.000 0.082 0.000 0.879 283 D CB 0.438 41.266 40.800 0.046 0.000 1.163 283 D HN 0.345 nan 8.370 nan 0.000 0.472 284 S N 1.533 117.277 115.700 0.073 0.000 3.257 284 S HA -0.325 4.144 4.470 -0.002 0.000 0.300 284 S C 0.849 175.432 174.600 -0.028 0.000 1.275 284 S CA 0.938 59.163 58.200 0.041 0.000 1.023 284 S CB -1.721 61.492 63.200 0.021 0.000 1.180 284 S HN 0.495 nan 8.310 nan 0.000 0.660 285 N N 0.373 119.003 118.700 -0.117 0.000 2.383 285 N HA 0.484 5.222 4.740 -0.002 0.000 0.192 285 N C 0.177 175.244 175.510 -0.739 0.000 1.141 285 N CA 0.608 53.407 53.050 -0.418 0.000 0.851 285 N CB -0.166 37.987 38.487 -0.557 0.000 0.976 285 N HN 0.675 nan 8.380 nan 0.000 0.465 286 F N -1.669 118.336 119.950 0.091 0.000 3.457 286 F HA 0.520 5.046 4.527 -0.002 0.000 0.231 286 F C 1.616 177.488 175.800 0.120 0.000 1.591 286 F CA -0.390 57.700 58.000 0.151 0.000 0.950 286 F CB -0.307 38.841 39.000 0.246 0.000 1.843 286 F HN -0.131 nan 8.300 nan 0.000 0.332 287 G N 0.480 109.519 108.800 0.398 0.000 2.148 287 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.254 287 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.254 287 G C -0.075 174.949 174.900 0.208 0.000 0.981 287 G CA 0.622 45.858 45.100 0.227 0.000 0.670 287 G HN 0.487 nan 8.290 nan 0.000 0.528 288 Q N -2.077 117.899 119.800 0.295 0.000 3.138 288 Q HA 0.826 5.164 4.340 -0.002 0.000 0.205 288 Q C 0.355 176.573 176.000 0.365 0.000 1.131 288 Q CA -0.769 55.151 55.803 0.195 0.000 0.558 288 Q CB 0.947 29.699 28.738 0.022 0.000 4.484 288 Q HN 0.623 nan 8.270 nan 0.000 0.324 289 F N -0.187 119.815 119.950 0.088 0.000 2.183 289 F HA -0.199 4.327 4.527 -0.002 0.000 0.318 289 F C -0.620 175.205 175.800 0.041 0.000 1.273 289 F CA 0.240 58.281 58.000 0.069 0.000 0.912 289 F CB -0.237 38.799 39.000 0.060 0.000 4.135 289 F HN 0.393 nan 8.300 nan 0.000 0.137 290 E N 1.293 121.645 120.200 0.254 0.000 2.272 290 E HA 0.472 4.820 4.350 -0.002 0.000 0.269 290 E C -0.411 176.252 176.600 0.105 0.000 0.877 290 E CA -0.862 55.619 56.400 0.135 0.000 0.755 290 E CB 1.747 31.502 29.700 0.090 0.000 1.192 290 E HN 0.529 nan 8.360 nan 0.000 0.422 291 L N 2.080 123.331 121.223 0.046 0.000 2.660 291 L HA 0.032 4.370 4.340 -0.002 0.000 0.238 291 L C 0.749 177.609 176.870 -0.016 0.000 1.161 291 L CA 0.111 54.949 54.840 -0.004 0.000 0.937 291 L CB -0.652 41.395 42.059 -0.020 0.000 1.122 291 L HN 0.551 nan 8.230 nan 0.000 0.435 292 T N -1.190 113.366 114.554 0.003 0.000 2.778 292 T HA 0.103 4.452 4.350 -0.002 0.000 0.282 292 T C 0.448 175.142 174.700 -0.010 0.000 0.983 292 T CA -0.399 61.681 62.100 -0.032 0.000 1.193 292 T CB 0.143 68.994 68.868 -0.030 0.000 0.938 292 T HN 0.303 nan 8.240 nan 0.000 0.523 293 T N 1.629 116.155 114.554 -0.048 0.000 2.841 293 T HA 0.625 4.974 4.350 -0.002 0.000 0.285 293 T C -0.564 174.148 174.700 0.019 0.000 0.991 293 T CA -0.946 61.193 62.100 0.065 0.000 0.966 293 T CB 0.681 69.598 68.868 0.083 0.000 0.962 293 T HN 0.443 nan 8.240 nan 0.000 0.438 294 F N 1.776 121.858 119.950 0.219 0.000 2.370 294 F HA 0.479 5.005 4.527 -0.001 0.000 0.324 294 F C 0.919 176.845 175.800 0.209 0.000 1.116 294 F CA -0.457 57.665 58.000 0.204 0.000 1.123 294 F CB 1.006 40.178 39.000 0.287 0.000 1.238 294 F HN 0.610 nan 8.300 nan 0.000 0.536 295 D N 1.401 122.016 120.400 0.359 0.000 2.256 295 D HA 0.078 4.717 4.640 -0.002 0.000 0.250 295 D C 0.520 176.954 176.300 0.223 0.000 1.093 295 D CA -0.393 53.738 54.000 0.218 0.000 0.882 295 D CB 0.651 41.479 40.800 0.047 0.000 1.185 295 D HN 0.360 nan 8.370 nan 0.000 0.437 296 F N 1.314 121.330 119.950 0.110 0.000 2.748 296 F HA 0.066 4.591 4.527 -0.003 0.000 0.299 296 F C 1.554 177.385 175.800 0.051 0.000 1.154 296 F CA 0.307 58.361 58.000 0.089 0.000 1.446 296 F CB -0.396 38.587 39.000 -0.029 0.000 1.112 296 F HN 0.216 nan 8.300 nan 0.000 0.584 297 S N -0.722 114.703 115.700 -0.458 0.000 2.575 297 S HA 0.041 4.510 4.470 -0.002 0.000 0.215 297 S C 1.375 175.856 174.600 -0.200 0.000 0.966 297 S CA -0.133 57.850 58.200 -0.362 0.000 0.911 297 S CB -0.440 62.498 63.200 -0.438 0.000 0.780 297 S HN 0.628 nan 8.310 nan 0.000 0.514 298 Q N -0.224 119.453 119.800 -0.204 0.000 2.425 298 Q HA 0.245 4.584 4.340 -0.002 0.000 0.204 298 Q C -0.733 174.948 176.000 -0.533 0.000 0.933 298 Q CA 0.462 56.055 55.803 -0.350 0.000 0.939 298 Q CB 0.171 28.669 28.738 -0.401 0.000 1.044 298 Q HN 0.671 nan 8.270 nan 0.000 0.513 299 Y N -0.828 119.454 120.300 -0.030 0.000 2.662 299 Y HA 0.339 4.888 4.550 -0.002 0.000 0.335 299 Y C -0.175 175.716 175.900 -0.016 0.000 1.066 299 Y CA -1.530 56.553 58.100 -0.029 0.000 1.116 299 Y CB 0.980 39.429 38.460 -0.019 0.000 1.308 299 Y HN -0.102 nan 8.280 nan 0.000 0.502 300 M N 2.368 122.071 119.600 0.172 0.000 2.217 300 M HA 0.242 4.720 4.480 -0.002 0.000 0.352 300 M C -1.051 175.308 176.300 0.098 0.000 1.376 300 M CA -0.032 55.322 55.300 0.090 0.000 1.107 300 M CB 0.182 32.815 32.600 0.055 0.000 1.723 300 M HN 0.584 nan 8.290 nan 0.000 0.461 301 K N 4.977 125.427 120.400 0.083 0.000 2.202 301 K HA 0.611 4.929 4.320 -0.002 0.000 0.264 301 K C -1.060 175.578 176.600 0.063 0.000 1.010 301 K CA -0.318 56.025 56.287 0.093 0.000 0.940 301 K CB 0.971 33.531 32.500 0.101 0.000 0.983 301 K HN 0.672 nan 8.250 nan 0.000 0.475 302 L N 0.875 122.133 121.223 0.057 0.000 2.415 302 L HA 0.344 4.682 4.340 -0.002 0.000 0.256 302 L C -0.785 176.108 176.870 0.038 0.000 1.010 302 L CA -1.106 53.760 54.840 0.043 0.000 0.826 302 L CB 2.317 44.403 42.059 0.045 0.000 1.405 302 L HN 0.575 nan 8.230 nan 0.000 0.410 303 D N 0.131 120.551 120.400 0.032 0.000 2.340 303 D HA 0.391 5.030 4.640 -0.002 0.000 0.251 303 D C 1.068 177.386 176.300 0.031 0.000 1.080 303 D CA -0.263 53.754 54.000 0.029 0.000 0.971 303 D CB 1.853 42.667 40.800 0.023 0.000 1.137 303 D HN 0.324 nan 8.370 nan 0.000 0.475 304 I N 0.748 121.335 120.570 0.028 0.000 2.315 304 I HA -0.204 3.964 4.170 -0.002 0.000 0.248 304 I C 2.220 178.357 176.117 0.032 0.000 1.117 304 I CA 0.890 62.208 61.300 0.030 0.000 1.404 304 I CB -0.148 37.867 38.000 0.024 0.000 1.071 304 I HN 0.338 nan 8.210 nan 0.000 0.419 305 A N 0.922 123.758 122.820 0.027 0.000 1.972 305 A HA -0.105 4.213 4.320 -0.002 0.000 0.219 305 A C 2.559 180.161 177.584 0.029 0.000 1.169 305 A CA 1.697 53.749 52.037 0.027 0.000 0.635 305 A CB -0.688 18.323 19.000 0.020 0.000 0.810 305 A HN 0.420 nan 8.150 nan 0.000 0.446 306 A N -0.400 122.436 122.820 0.026 0.000 1.877 306 A HA -0.031 4.287 4.320 -0.002 0.000 0.216 306 A C 2.207 179.807 177.584 0.027 0.000 1.186 306 A CA 1.823 53.874 52.037 0.023 0.000 0.620 306 A CB -1.034 17.978 19.000 0.020 0.000 0.822 306 A HN 0.414 nan 8.150 nan 0.000 0.443 307 V N 0.027 119.965 119.914 0.041 0.000 2.332 307 V HA -0.299 3.820 4.120 -0.002 0.000 0.248 307 V C 2.665 178.789 176.094 0.051 0.000 1.055 307 V CA 2.375 64.710 62.300 0.058 0.000 1.038 307 V CB -0.861 31.019 31.823 0.095 0.000 0.651 307 V HN 0.523 nan 8.190 nan 0.000 0.450 308 R N -0.077 120.452 120.500 0.048 0.000 2.073 308 R HA -0.028 4.311 4.340 -0.002 0.000 0.229 308 R C 2.468 178.794 176.300 0.043 0.000 1.120 308 R CA 1.360 57.487 56.100 0.046 0.000 0.967 308 R CB -0.565 29.760 30.300 0.042 0.000 0.862 308 R HN 0.524 nan 8.270 nan 0.000 0.436 309 A N 1.174 124.018 122.820 0.041 0.000 1.902 309 A HA -0.078 4.241 4.320 -0.002 0.000 0.217 309 A C 1.927 179.547 177.584 0.059 0.000 1.181 309 A CA 1.104 53.171 52.037 0.049 0.000 0.623 309 A CB -0.375 18.652 19.000 0.044 0.000 0.818 309 A HN 0.186 nan 8.150 nan 0.000 0.443 310 L N -0.330 120.913 121.223 0.032 0.000 2.612 310 L HA 0.061 4.399 4.340 -0.002 0.000 0.230 310 L C 0.504 177.371 176.870 -0.005 0.000 1.140 310 L CA -0.158 54.688 54.840 0.010 0.000 0.896 310 L CB -0.741 41.297 42.059 -0.035 0.000 1.065 310 L HN 0.444 nan 8.230 nan 0.000 0.447 311 N N 1.625 120.336 118.700 0.017 0.000 2.691 311 N HA -0.222 4.517 4.740 -0.002 0.000 0.277 311 N C 0.705 176.169 175.510 -0.078 0.000 1.029 311 N CA 0.380 53.433 53.050 0.004 0.000 0.798 311 N CB -0.529 37.979 38.487 0.035 0.000 0.922 311 N HN 0.399 nan 8.380 nan 0.000 0.562 312 L N -0.376 120.768 121.223 -0.132 0.000 2.109 312 L HA -0.052 4.287 4.340 -0.002 0.000 0.207 312 L C 1.327 177.752 176.870 -0.740 0.000 1.086 312 L CA 1.148 55.735 54.840 -0.421 0.000 0.760 312 L CB -0.193 41.631 42.059 -0.392 0.000 0.910 312 L HN 0.262 nan 8.230 nan 0.000 0.437 313 F N -2.570 117.380 119.950 -0.000 0.000 2.009 313 F HA 0.256 4.782 4.527 -0.002 0.000 0.228 313 F C 1.244 177.040 175.800 -0.006 0.000 1.168 313 F CA -0.357 57.638 58.000 -0.008 0.000 1.286 313 F CB 0.099 39.091 39.000 -0.014 0.000 1.725 313 F HN -0.255 nan 8.300 nan 0.000 0.418 314 Q N -1.210 118.718 119.800 0.213 0.000 3.232 314 Q HA 0.641 4.980 4.340 -0.002 0.000 0.348 314 Q C -0.527 175.519 176.000 0.076 0.000 0.877 314 Q CA -0.447 55.421 55.803 0.109 0.000 0.835 314 Q CB 2.476 31.265 28.738 0.086 0.000 1.450 314 Q HN 0.422 nan 8.270 nan 0.000 0.471 315 G N 0.205 109.037 108.800 0.052 0.000 2.791 315 G HA2 0.290 4.249 3.960 -0.002 0.000 0.158 315 G HA3 0.290 4.249 3.960 -0.002 0.000 0.158 315 G C -0.779 174.139 174.900 0.031 0.000 1.193 315 G CA 0.085 45.209 45.100 0.040 0.000 1.032 315 G HN 0.605 nan 8.290 nan 0.000 0.557 322 G N 1.930 110.731 108.800 0.002 0.000 2.806 322 G HA2 -0.115 3.843 3.960 -0.002 0.000 0.236 322 G HA3 -0.115 3.843 3.960 -0.002 0.000 0.236 322 G C 0.010 174.909 174.900 -0.001 0.000 1.387 322 G CA -0.046 45.054 45.100 -0.001 0.000 0.884 322 G HN 1.757 nan 8.290 nan 0.000 0.560 323 S N -0.791 114.906 115.700 -0.005 0.000 2.624 323 S HA 0.567 5.035 4.470 -0.002 0.000 0.263 323 S C 0.448 175.059 174.600 0.018 0.000 1.287 323 S CA 0.497 58.700 58.200 0.005 0.000 0.990 323 S CB 1.649 64.848 63.200 -0.003 0.000 0.950 323 S HN 1.018 nan 8.310 nan 0.000 0.561 324 Q N 0.301 120.114 119.800 0.022 0.000 2.396 324 Q HA 0.307 4.646 4.340 -0.002 0.000 0.221 324 Q C 0.216 176.223 176.000 0.011 0.000 1.025 324 Q CA -0.401 55.409 55.803 0.011 0.000 0.946 324 Q CB 0.825 29.564 28.738 0.002 0.000 1.224 324 Q HN 0.827 nan 8.270 nan 0.000 0.539 325 S N 0.641 116.335 115.700 -0.009 0.000 2.593 325 S HA 0.027 4.496 4.470 -0.002 0.000 0.269 325 S C 0.850 175.405 174.600 -0.076 0.000 1.334 325 S CA -0.550 57.627 58.200 -0.038 0.000 1.015 325 S CB 0.609 63.787 63.200 -0.036 0.000 0.912 325 S HN 0.619 nan 8.310 nan 0.000 0.541 326 L N 4.323 125.465 121.223 -0.136 0.000 2.109 326 L HA 0.201 4.540 4.340 -0.002 0.000 0.207 326 L C 2.433 179.192 176.870 -0.185 0.000 1.086 326 L CA 2.301 57.047 54.840 -0.156 0.000 0.760 326 L CB -1.386 40.560 42.059 -0.188 0.000 0.910 326 L HN 0.878 nan 8.230 nan 0.000 0.437 327 A N -0.441 122.217 122.820 -0.270 0.000 1.873 327 A HA -0.092 4.226 4.320 -0.002 0.000 0.215 327 A C 2.464 179.980 177.584 -0.113 0.000 1.186 327 A CA 1.697 53.606 52.037 -0.213 0.000 0.616 327 A CB -1.212 17.657 19.000 -0.218 0.000 0.823 327 A HN 0.506 nan 8.150 nan 0.000 0.442 328 A N -0.559 122.214 122.820 -0.079 0.000 1.948 328 A HA -0.105 4.213 4.320 -0.002 0.000 0.220 328 A C 2.175 179.717 177.584 -0.070 0.000 1.177 328 A CA 1.914 53.919 52.037 -0.054 0.000 0.636 328 A CB -0.604 18.378 19.000 -0.031 0.000 0.815 328 A HN 0.760 nan 8.150 nan 0.000 0.449 329 L N -0.725 120.451 121.223 -0.078 0.000 2.044 329 L HA 0.021 4.359 4.340 -0.002 0.000 0.205 329 L C 2.217 179.015 176.870 -0.120 0.000 1.075 329 L CA 1.627 56.420 54.840 -0.079 0.000 0.747 329 L CB -0.312 41.715 42.059 -0.055 0.000 0.903 329 L HN 0.369 nan 8.230 nan 0.000 0.435 330 L N -0.587 120.543 121.223 -0.155 0.000 2.209 330 L HA -0.010 4.329 4.340 -0.002 0.000 0.207 330 L C 0.712 177.370 176.870 -0.352 0.000 1.094 330 L CA 0.258 54.939 54.840 -0.265 0.000 0.790 330 L CB -0.495 41.396 42.059 -0.279 0.000 0.932 330 L HN 0.262 nan 8.230 nan 0.000 0.447 331 N N 1.129 119.680 118.700 -0.249 0.000 2.739 331 N HA 0.010 4.748 4.740 -0.002 0.000 0.266 331 N C 0.215 175.628 175.510 -0.162 0.000 1.168 331 N CA 0.300 53.217 53.050 -0.223 0.000 1.055 331 N CB 0.429 38.834 38.487 -0.138 0.000 1.393 331 N HN -0.056 nan 8.380 nan 0.000 0.514 332 K N 0.674 120.971 120.400 -0.172 0.000 2.498 332 K HA 0.256 4.575 4.320 -0.002 0.000 0.207 332 K C -0.226 176.295 176.600 -0.131 0.000 1.033 332 K CA -0.255 55.961 56.287 -0.118 0.000 1.138 332 K CB -0.289 32.175 32.500 -0.060 0.000 0.860 332 K HN 0.398 nan 8.250 nan 0.000 0.490 333 C N 1.282 120.499 119.300 -0.140 0.000 2.665 333 C HA 0.029 4.487 4.460 -0.002 0.000 0.416 333 C C 1.512 176.440 174.990 -0.104 0.000 1.305 333 C CA -0.034 58.910 59.018 -0.125 0.000 1.903 333 C CB 0.274 27.939 27.740 -0.125 0.000 2.704 333 C HN 0.492 nan 8.230 nan 0.000 0.629 334 K N 0.168 120.514 120.400 -0.091 0.000 2.353 334 K HA 0.050 4.369 4.320 -0.002 0.000 0.195 334 K C 0.773 177.346 176.600 -0.046 0.000 1.031 334 K CA 0.345 56.590 56.287 -0.070 0.000 1.079 334 K CB 0.198 32.657 32.500 -0.069 0.000 0.857 334 K HN 0.904 nan 8.250 nan 0.000 0.535 335 T N -1.852 112.675 114.554 -0.045 0.000 2.895 335 T HA 0.280 4.629 4.350 -0.002 0.000 0.283 335 T C -2.409 172.258 174.700 -0.054 0.000 1.014 335 T CA -2.247 59.835 62.100 -0.030 0.000 1.037 335 T CB 2.034 70.893 68.868 -0.014 0.000 1.006 335 T HN -0.296 nan 8.240 nan 0.000 0.468 336 P HA -0.086 nan 4.420 nan 0.000 0.218 336 P C 1.511 178.773 177.300 -0.064 0.000 1.149 336 P CA 1.055 64.119 63.100 -0.060 0.000 0.817 336 P CB 0.046 31.714 31.700 -0.054 0.000 0.785 337 Q N -0.631 119.134 119.800 -0.058 0.000 2.030 337 Q HA -0.118 4.220 4.340 -0.002 0.000 0.204 337 Q C 2.472 178.411 176.000 -0.102 0.000 0.986 337 Q CA 1.838 57.599 55.803 -0.068 0.000 0.843 337 Q CB -1.454 27.246 28.738 -0.063 0.000 0.904 337 Q HN 0.250 nan 8.270 nan 0.000 0.420 338 G N 0.758 109.494 108.800 -0.107 0.000 2.408 338 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.217 338 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.217 338 G C 1.303 176.108 174.900 -0.159 0.000 1.150 338 G CA 0.562 45.578 45.100 -0.140 0.000 0.776 338 G HN 0.278 nan 8.290 nan 0.000 0.542 339 Q N -0.098 119.629 119.800 -0.122 0.000 2.124 339 Q HA -0.071 4.268 4.340 -0.002 0.000 0.202 339 Q C 2.793 178.725 176.000 -0.112 0.000 0.977 339 Q CA 1.068 56.805 55.803 -0.111 0.000 0.850 339 Q CB -0.121 28.566 28.738 -0.085 0.000 0.901 339 Q HN 0.425 nan 8.270 nan 0.000 0.429 340 R N 0.159 120.589 120.500 -0.116 0.000 2.092 340 R HA -0.055 4.284 4.340 -0.002 0.000 0.231 340 R C 2.265 178.462 176.300 -0.172 0.000 1.119 340 R CA 0.856 56.888 56.100 -0.113 0.000 0.970 340 R CB -0.206 30.038 30.300 -0.093 0.000 0.864 340 R HN 0.229 nan 8.270 nan 0.000 0.440 341 L N 0.253 121.313 121.223 -0.271 0.000 2.056 341 L HA -0.159 4.179 4.340 -0.002 0.000 0.207 341 L C 2.276 178.770 176.870 -0.626 0.000 1.078 341 L CA 1.068 55.594 54.840 -0.524 0.000 0.749 341 L CB -0.310 41.334 42.059 -0.693 0.000 0.901 341 L HN 0.070 nan 8.230 nan 0.000 0.433 342 V N 0.129 119.828 119.914 -0.359 0.000 2.295 342 V HA -0.276 3.843 4.120 -0.002 0.000 0.246 342 V C 2.181 178.307 176.094 0.052 0.000 1.049 342 V CA 1.827 64.075 62.300 -0.087 0.000 1.024 342 V CB -0.741 31.021 31.823 -0.101 0.000 0.648 342 V HN 0.500 nan 8.190 nan 0.000 0.447 343 N N 0.152 118.867 118.700 0.026 0.000 2.104 343 N HA -0.219 4.519 4.740 -0.002 0.000 0.190 343 N C 1.856 177.440 175.510 0.124 0.000 1.024 343 N CA 1.674 54.820 53.050 0.160 0.000 0.853 343 N CB -0.470 38.068 38.487 0.085 0.000 1.008 343 N HN 0.593 nan 8.380 nan 0.000 0.424 344 Q N -0.037 119.757 119.800 -0.011 0.000 2.002 344 Q HA -0.120 4.219 4.340 -0.002 0.000 0.204 344 Q C 1.584 177.656 176.000 0.120 0.000 0.988 344 Q CA 1.633 57.423 55.803 -0.021 0.000 0.843 344 Q CB -0.308 28.363 28.738 -0.112 0.000 0.908 344 Q HN 0.369 nan 8.270 nan 0.000 0.420 345 W N 0.255 121.564 121.300 0.015 0.000 2.363 345 W HA -0.058 4.600 4.660 -0.003 0.000 0.296 345 W C 2.047 178.588 176.519 0.037 0.000 1.212 345 W CA 0.489 57.843 57.345 0.014 0.000 1.260 345 W CB -0.816 28.691 29.460 0.078 0.000 1.131 345 W HN 0.261 nan 8.180 nan 0.000 0.530 346 I N 0.313 121.073 120.570 0.316 0.000 2.315 346 I HA -0.279 3.890 4.170 -0.002 0.000 0.248 346 I C 2.127 178.352 176.117 0.179 0.000 1.117 346 I CA 1.409 62.832 61.300 0.204 0.000 1.404 346 I CB -0.492 37.575 38.000 0.112 0.000 1.071 346 I HN -0.113 nan 8.210 nan 0.000 0.419 347 K N 0.375 120.906 120.400 0.217 0.000 2.288 347 K HA -0.058 4.260 4.320 -0.002 0.000 0.201 347 K C 0.364 176.960 176.600 -0.006 0.000 1.048 347 K CA 0.779 57.145 56.287 0.131 0.000 0.956 347 K CB 0.082 32.619 32.500 0.061 0.000 0.746 347 K HN 0.381 nan 8.250 nan 0.000 0.461 348 Q N 0.677 120.438 119.800 -0.065 0.000 2.907 348 Q HA 0.228 4.567 4.340 -0.002 0.000 0.262 348 Q C -2.662 173.303 176.000 -0.058 0.000 0.997 348 Q CA -2.028 53.614 55.803 -0.270 0.000 0.797 348 Q CB 1.487 29.723 28.738 -0.837 0.000 1.228 348 Q HN -0.056 nan 8.270 nan 0.000 0.466 349 P HA 0.002 nan 4.420 nan 0.000 0.271 349 P C -0.325 177.054 177.300 0.130 0.000 1.220 349 P CA 0.014 63.152 63.100 0.064 0.000 0.768 349 P CB 0.689 32.413 31.700 0.040 0.000 0.848 350 L N 3.300 124.553 121.223 0.049 0.000 2.461 350 L HA 0.109 4.448 4.340 -0.002 0.000 0.272 350 L C 1.654 178.509 176.870 -0.026 0.000 1.197 350 L CA 0.077 54.930 54.840 0.021 0.000 0.836 350 L CB 0.139 42.147 42.059 -0.086 0.000 1.105 350 L HN 0.391 nan 8.230 nan 0.000 0.477 351 M N 0.008 119.566 119.600 -0.070 0.000 2.421 351 M HA 0.157 4.635 4.480 -0.002 0.000 0.258 351 M C -0.358 175.893 176.300 -0.083 0.000 1.122 351 M CA 0.362 55.614 55.300 -0.079 0.000 1.078 351 M CB -0.239 32.298 32.600 -0.106 0.000 1.380 351 M HN 0.469 nan 8.290 nan 0.000 0.499 352 D N 1.370 121.715 120.400 -0.092 0.000 2.329 352 D HA 0.153 4.792 4.640 -0.002 0.000 0.232 352 D C 1.053 177.310 176.300 -0.072 0.000 1.088 352 D CA -0.060 53.895 54.000 -0.077 0.000 0.835 352 D CB 1.169 41.924 40.800 -0.074 0.000 1.078 352 D HN 0.235 nan 8.370 nan 0.000 0.495 353 K N 1.747 122.110 120.400 -0.063 0.000 2.218 353 K HA -0.235 4.084 4.320 -0.002 0.000 0.205 353 K C 0.729 177.294 176.600 -0.058 0.000 1.046 353 K CA 1.114 57.364 56.287 -0.062 0.000 0.933 353 K CB 0.005 32.473 32.500 -0.053 0.000 0.728 353 K HN 0.068 nan 8.250 nan 0.000 0.454 354 N N 0.859 119.528 118.700 -0.051 0.000 2.106 354 N HA -0.084 4.655 4.740 -0.002 0.000 0.188 354 N C 1.727 177.208 175.510 -0.050 0.000 1.029 354 N CA 1.099 54.124 53.050 -0.043 0.000 0.848 354 N CB -0.151 38.316 38.487 -0.034 0.000 1.007 354 N HN 0.191 nan 8.380 nan 0.000 0.423 355 R N 0.563 121.025 120.500 -0.062 0.000 2.115 355 R HA 0.103 4.442 4.340 -0.002 0.000 0.226 355 R C 2.155 178.385 176.300 -0.116 0.000 1.100 355 R CA 0.474 56.526 56.100 -0.080 0.000 0.980 355 R CB -0.612 29.636 30.300 -0.087 0.000 0.875 355 R HN 0.376 nan 8.270 nan 0.000 0.445 356 I N 0.632 121.133 120.570 -0.114 0.000 2.133 356 I HA -0.209 3.960 4.170 -0.002 0.000 0.238 356 I C 1.827 177.877 176.117 -0.110 0.000 1.074 356 I CA 1.331 62.550 61.300 -0.135 0.000 1.342 356 I CB -0.434 37.497 38.000 -0.115 0.000 1.053 356 I HN 0.105 nan 8.210 nan 0.000 0.404 357 E N 0.517 120.670 120.200 -0.079 0.000 2.333 357 E HA -0.238 4.110 4.350 -0.002 0.000 0.198 357 E C 1.949 178.529 176.600 -0.033 0.000 1.007 357 E CA 0.676 57.043 56.400 -0.055 0.000 0.845 357 E CB -0.061 29.611 29.700 -0.046 0.000 0.766 357 E HN 0.482 nan 8.360 nan 0.000 0.507 358 E N 1.131 121.307 120.200 -0.041 0.000 2.046 358 E HA -0.150 4.199 4.350 -0.002 0.000 0.190 358 E C 2.011 178.608 176.600 -0.005 0.000 0.982 358 E CA 0.672 57.065 56.400 -0.013 0.000 0.800 358 E CB 0.172 29.863 29.700 -0.015 0.000 0.756 358 E HN 0.083 nan 8.360 nan 0.000 0.449 359 R N 0.073 120.532 120.500 -0.069 0.000 2.115 359 R HA -0.010 4.329 4.340 -0.002 0.000 0.230 359 R C 2.486 178.762 176.300 -0.040 0.000 1.111 359 R CA 0.680 56.721 56.100 -0.098 0.000 0.976 359 R CB -0.077 30.037 30.300 -0.311 0.000 0.870 359 R HN 0.249 nan 8.270 nan 0.000 0.445 360 L N 0.712 121.924 121.223 -0.019 0.000 2.131 360 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 360 L C 1.377 178.336 176.870 0.148 0.000 1.092 360 L CA 0.957 55.846 54.840 0.083 0.000 0.759 360 L CB -0.323 41.752 42.059 0.028 0.000 0.903 360 L HN 0.222 nan 8.230 nan 0.000 0.435 361 N N -0.107 118.646 118.700 0.088 0.000 2.331 361 N HA -0.078 4.661 4.740 -0.002 0.000 0.180 361 N C 1.841 177.409 175.510 0.097 0.000 1.019 361 N CA 0.924 54.032 53.050 0.097 0.000 0.881 361 N CB -0.150 38.376 38.487 0.066 0.000 0.972 361 N HN 0.297 nan 8.380 nan 0.000 0.435 362 L N -0.259 121.022 121.223 0.096 0.000 2.156 362 L HA -0.015 4.324 4.340 -0.002 0.000 0.208 362 L C 1.888 178.858 176.870 0.166 0.000 1.095 362 L CA 0.520 55.420 54.840 0.099 0.000 0.770 362 L CB -0.264 41.856 42.059 0.101 0.000 0.914 362 L HN -0.021 nan 8.230 nan 0.000 0.439 363 V N -0.322 119.680 119.914 0.147 0.000 2.346 363 V HA -0.188 3.931 4.120 -0.002 0.000 0.244 363 V C 2.323 178.448 176.094 0.052 0.000 1.037 363 V CA 1.443 63.818 62.300 0.125 0.000 1.029 363 V CB -0.424 31.468 31.823 0.115 0.000 0.663 363 V HN 0.407 nan 8.190 nan 0.000 0.454 364 E N 0.636 120.916 120.200 0.133 0.000 2.130 364 E HA -0.257 4.091 4.350 -0.002 0.000 0.196 364 E C 2.342 178.941 176.600 -0.001 0.000 0.998 364 E CA 1.379 57.847 56.400 0.114 0.000 0.806 364 E CB -0.342 29.481 29.700 0.205 0.000 0.738 364 E HN 0.597 nan 8.360 nan 0.000 0.459 365 A N 0.681 123.479 122.820 -0.036 0.000 1.917 365 A HA -0.190 4.128 4.320 -0.002 0.000 0.219 365 A C 1.806 179.163 177.584 -0.378 0.000 1.182 365 A CA 1.472 53.375 52.037 -0.224 0.000 0.633 365 A CB -0.647 18.134 19.000 -0.365 0.000 0.819 365 A HN 0.208 nan 8.150 nan 0.000 0.448 366 F N -1.346 118.564 119.950 -0.066 0.000 2.619 366 F HA 0.071 4.596 4.527 -0.002 0.000 0.293 366 F C 2.191 177.927 175.800 -0.107 0.000 1.119 366 F CA 0.518 58.470 58.000 -0.081 0.000 1.445 366 F CB -0.151 38.800 39.000 -0.082 0.000 1.119 366 F HN -0.005 nan 8.300 nan 0.000 0.573 367 V N 0.230 120.128 119.914 -0.026 0.000 2.307 367 V HA -0.239 3.880 4.120 -0.002 0.000 0.245 367 V C 1.972 178.019 176.094 -0.078 0.000 1.045 367 V CA 2.020 64.241 62.300 -0.131 0.000 1.024 367 V CB -0.458 31.154 31.823 -0.351 0.000 0.651 367 V HN 0.302 nan 8.190 nan 0.000 0.449 368 E N -0.675 119.479 120.200 -0.076 0.000 2.299 368 E HA -0.143 4.206 4.350 -0.002 0.000 0.193 368 E C 1.872 178.427 176.600 -0.074 0.000 0.998 368 E CA 0.667 57.020 56.400 -0.078 0.000 0.851 368 E CB -0.053 29.573 29.700 -0.124 0.000 0.795 368 E HN 0.578 nan 8.360 nan 0.000 0.492 369 D N 0.233 120.589 120.400 -0.074 0.000 2.085 369 D HA -0.169 4.469 4.640 -0.002 0.000 0.199 369 D C 1.566 177.854 176.300 -0.019 0.000 0.981 369 D CA 1.864 55.830 54.000 -0.058 0.000 0.834 369 D CB 0.231 40.974 40.800 -0.094 0.000 0.992 369 D HN 0.054 nan 8.370 nan 0.000 0.457 370 A N 0.272 123.098 122.820 0.009 0.000 2.079 370 A HA -0.349 3.970 4.320 -0.002 0.000 0.230 370 A C 1.657 179.261 177.584 0.034 0.000 0.537 370 A CA 1.980 54.031 52.037 0.023 0.000 1.134 370 A CB -2.034 16.968 19.000 0.004 0.000 1.423 370 A HN 0.492 nan 8.150 nan 0.000 0.706 371 E N -0.242 119.970 120.200 0.020 0.000 2.208 371 E HA 0.051 4.399 4.350 -0.002 0.000 0.193 371 E C 1.858 178.480 176.600 0.037 0.000 0.988 371 E CA 1.026 57.438 56.400 0.020 0.000 0.828 371 E CB -0.133 29.571 29.700 0.006 0.000 0.763 371 E HN 0.777 nan 8.360 nan 0.000 0.478 372 L N 0.467 121.726 121.223 0.060 0.000 2.109 372 L HA -0.119 4.220 4.340 -0.002 0.000 0.207 372 L C 2.501 179.489 176.870 0.197 0.000 1.086 372 L CA 0.903 55.821 54.840 0.130 0.000 0.760 372 L CB -0.113 42.019 42.059 0.120 0.000 0.910 372 L HN 0.059 nan 8.230 nan 0.000 0.437 373 R N -0.446 120.164 120.500 0.184 0.000 2.061 373 R HA -0.174 4.165 4.340 -0.002 0.000 0.230 373 R C 2.269 178.579 176.300 0.017 0.000 1.140 373 R CA 1.504 57.659 56.100 0.092 0.000 0.940 373 R CB -0.443 29.912 30.300 0.092 0.000 0.839 373 R HN 0.406 nan 8.270 nan 0.000 0.429 374 Q N -0.073 119.741 119.800 0.023 0.000 2.062 374 Q HA -0.213 4.126 4.340 -0.002 0.000 0.209 374 Q C 2.299 178.291 176.000 -0.013 0.000 0.996 374 Q CA 2.516 58.316 55.803 -0.004 0.000 0.859 374 Q CB -0.504 28.237 28.738 0.006 0.000 0.920 374 Q HN 0.530 nan 8.270 nan 0.000 0.415 375 T N -0.707 113.849 114.554 0.005 0.000 2.746 375 T HA -0.121 4.228 4.350 -0.002 0.000 0.267 375 T C 1.879 176.578 174.700 -0.000 0.000 1.039 375 T CA 0.997 63.098 62.100 0.002 0.000 1.142 375 T CB -0.331 68.545 68.868 0.013 0.000 0.866 375 T HN 0.129 nan 8.240 nan 0.000 0.444 376 L N 0.427 121.653 121.223 0.007 0.000 2.034 376 L HA 0.014 4.353 4.340 -0.002 0.000 0.203 376 L C 3.205 180.049 176.870 -0.043 0.000 1.074 376 L CA 1.455 56.292 54.840 -0.004 0.000 0.748 376 L CB -0.618 41.429 42.059 -0.020 0.000 0.905 376 L HN 0.352 nan 8.230 nan 0.000 0.439 377 Q N 0.648 120.396 119.800 -0.088 0.000 1.921 377 Q HA -0.270 4.069 4.340 -0.002 0.000 0.208 377 Q C 2.003 177.932 176.000 -0.118 0.000 0.994 377 Q CA 2.376 58.097 55.803 -0.136 0.000 0.857 377 Q CB -0.143 28.464 28.738 -0.218 0.000 0.925 377 Q HN 0.585 nan 8.270 nan 0.000 0.421 378 E N -1.054 119.077 120.200 -0.115 0.000 2.274 378 E HA -0.169 4.180 4.350 -0.002 0.000 0.194 378 E C 0.697 177.256 176.600 -0.068 0.000 0.996 378 E CA 1.338 57.681 56.400 -0.096 0.000 0.840 378 E CB 0.135 29.783 29.700 -0.087 0.000 0.772 378 E HN 0.391 nan 8.360 nan 0.000 0.491 379 D N 0.096 120.462 120.400 -0.057 0.000 2.514 379 D HA 0.167 4.805 4.640 -0.002 0.000 0.249 379 D C 1.968 178.232 176.300 -0.060 0.000 1.036 379 D CA 0.358 54.327 54.000 -0.052 0.000 0.911 379 D CB 0.396 41.172 40.800 -0.040 0.000 1.145 379 D HN 0.208 nan 8.370 nan 0.000 0.495 380 L N -0.108 121.091 121.223 -0.040 0.000 2.435 380 L HA 0.203 4.541 4.340 -0.002 0.000 0.195 380 L C 2.277 179.153 176.870 0.009 0.000 1.072 380 L CA 0.134 54.951 54.840 -0.038 0.000 0.833 380 L CB -0.065 42.009 42.059 0.026 0.000 1.081 380 L HN -0.129 nan 8.230 nan 0.000 0.485 381 L N 0.835 122.125 121.223 0.112 0.000 2.081 381 L HA -0.221 4.118 4.340 -0.002 0.000 0.212 381 L C 2.753 179.719 176.870 0.160 0.000 1.080 381 L CA 1.590 56.569 54.840 0.232 0.000 0.754 381 L CB -0.641 41.458 42.059 0.066 0.000 0.893 381 L HN 0.395 nan 8.230 nan 0.000 0.433 382 R N 0.433 120.943 120.500 0.016 0.000 2.241 382 R HA -0.134 4.205 4.340 -0.002 0.000 0.224 382 R C 1.806 178.070 176.300 -0.060 0.000 1.101 382 R CA 0.994 57.080 56.100 -0.024 0.000 0.995 382 R CB -0.420 29.848 30.300 -0.053 0.000 0.870 382 R HN 0.304 nan 8.270 nan 0.000 0.463 383 R N 0.035 120.441 120.500 -0.157 0.000 2.320 383 R HA 0.166 4.504 4.340 -0.002 0.000 0.211 383 R C -0.637 175.420 176.300 -0.405 0.000 0.931 383 R CA -0.064 55.859 56.100 -0.295 0.000 1.071 383 R CB 0.191 30.254 30.300 -0.396 0.000 1.025 383 R HN 0.088 nan 8.270 nan 0.000 0.495 384 F N 2.311 122.221 119.950 -0.067 0.000 2.415 384 F HA 0.329 4.855 4.527 -0.002 0.000 0.348 384 F C -1.634 174.131 175.800 -0.058 0.000 1.119 384 F CA -3.019 54.938 58.000 -0.072 0.000 1.069 384 F CB 0.918 39.874 39.000 -0.072 0.000 1.124 384 F HN -0.130 nan 8.300 nan 0.000 0.472 385 P HA 0.054 nan 4.420 nan 0.000 0.276 385 P C -0.803 176.538 177.300 0.069 0.000 1.252 385 P CA -0.464 62.679 63.100 0.073 0.000 0.802 385 P CB 0.902 32.634 31.700 0.054 0.000 1.035 386 D N 1.136 121.568 120.400 0.053 0.000 2.349 386 D HA 0.022 4.660 4.640 -0.002 0.000 0.266 386 D C 1.188 177.513 176.300 0.042 0.000 1.293 386 D CA 0.136 54.157 54.000 0.035 0.000 0.926 386 D CB 0.153 40.971 40.800 0.031 0.000 1.090 386 D HN 0.208 nan 8.370 nan 0.000 0.502 387 L N 3.582 124.816 121.223 0.019 0.000 2.217 387 L HA -0.121 4.218 4.340 -0.002 0.000 0.211 387 L C 1.865 178.755 176.870 0.033 0.000 1.107 387 L CA 0.420 55.267 54.840 0.012 0.000 0.783 387 L CB -0.292 41.751 42.059 -0.026 0.000 0.919 387 L HN 0.309 nan 8.230 nan 0.000 0.442 388 N N 0.324 119.041 118.700 0.028 0.000 2.309 388 N HA -0.100 4.639 4.740 -0.002 0.000 0.182 388 N C 1.897 177.440 175.510 0.055 0.000 1.018 388 N CA 0.891 53.962 53.050 0.035 0.000 0.876 388 N CB -0.085 38.416 38.487 0.023 0.000 0.972 388 N HN 0.278 nan 8.380 nan 0.000 0.434 389 R N 0.225 120.767 120.500 0.069 0.000 2.066 389 R HA 0.041 4.379 4.340 -0.002 0.000 0.232 389 R C 2.087 178.440 176.300 0.089 0.000 1.131 389 R CA 0.826 56.981 56.100 0.091 0.000 0.955 389 R CB -0.341 30.040 30.300 0.134 0.000 0.851 389 R HN 0.205 nan 8.270 nan 0.000 0.432 390 L N 0.058 121.350 121.223 0.116 0.000 2.056 390 L HA -0.105 4.233 4.340 -0.002 0.000 0.207 390 L C 2.715 179.766 176.870 0.301 0.000 1.078 390 L CA 1.031 55.991 54.840 0.200 0.000 0.749 390 L CB -0.629 41.587 42.059 0.261 0.000 0.901 390 L HN 0.237 nan 8.230 nan 0.000 0.433 391 A N 0.446 123.380 122.820 0.189 0.000 1.884 391 A HA -0.280 4.039 4.320 -0.002 0.000 0.219 391 A C 2.340 180.002 177.584 0.129 0.000 1.197 391 A CA 2.101 54.230 52.037 0.153 0.000 0.637 391 A CB -0.470 18.568 19.000 0.064 0.000 0.827 391 A HN 0.336 nan 8.150 nan 0.000 0.450 392 K N -0.526 119.915 120.400 0.067 0.000 2.097 392 K HA -0.101 4.217 4.320 -0.002 0.000 0.205 392 K C 1.991 178.587 176.600 -0.006 0.000 1.050 392 K CA 1.478 57.773 56.287 0.014 0.000 0.938 392 K CB -0.158 32.346 32.500 0.006 0.000 0.718 392 K HN 0.446 nan 8.250 nan 0.000 0.442 393 K N -0.277 120.112 120.400 -0.018 0.000 2.283 393 K HA -0.072 4.246 4.320 -0.002 0.000 0.202 393 K C 1.606 178.065 176.600 -0.235 0.000 1.048 393 K CA 1.025 57.224 56.287 -0.148 0.000 0.948 393 K CB 0.017 32.383 32.500 -0.223 0.000 0.742 393 K HN 0.056 nan 8.250 nan 0.000 0.458 394 F N 0.611 120.547 119.950 -0.024 0.000 2.530 394 F HA 0.028 4.553 4.527 -0.002 0.000 0.292 394 F C 2.534 178.318 175.800 -0.027 0.000 1.109 394 F CA 0.569 58.562 58.000 -0.012 0.000 1.450 394 F CB 0.099 39.104 39.000 0.009 0.000 1.114 394 F HN -0.001 nan 8.300 nan 0.000 0.560 395 Q N 0.305 120.169 119.800 0.107 0.000 2.137 395 Q HA -0.079 4.260 4.340 -0.002 0.000 0.198 395 Q C 2.118 178.090 176.000 -0.046 0.000 0.960 395 Q CA 1.044 56.854 55.803 0.011 0.000 0.847 395 Q CB 0.101 28.811 28.738 -0.047 0.000 0.915 395 Q HN 0.286 nan 8.270 nan 0.000 0.448 396 R N -0.104 120.357 120.500 -0.065 0.000 2.236 396 R HA -0.006 4.333 4.340 -0.002 0.000 0.208 396 R C 0.229 176.493 176.300 -0.060 0.000 1.036 396 R CA 0.769 56.820 56.100 -0.082 0.000 1.001 396 R CB 0.198 30.446 30.300 -0.087 0.000 0.896 396 R HN 0.336 nan 8.270 nan 0.000 0.464 397 Q N -2.064 117.706 119.800 -0.050 0.000 2.502 397 Q HA -0.183 4.156 4.340 -0.002 0.000 0.273 397 Q C -0.133 175.812 176.000 -0.091 0.000 1.127 397 Q CA 0.450 56.226 55.803 -0.045 0.000 0.952 397 Q CB -1.372 27.363 28.738 -0.006 0.000 1.333 397 Q HN 0.428 nan 8.270 nan 0.000 0.494 398 A N -0.485 122.254 122.820 -0.134 0.000 2.577 398 A HA 0.614 4.932 4.320 -0.002 0.000 0.280 398 A C 0.620 178.071 177.584 -0.221 0.000 1.331 398 A CA 0.472 52.425 52.037 -0.141 0.000 0.935 398 A CB 0.352 19.283 19.000 -0.114 0.000 1.082 398 A HN 0.469 nan 8.150 nan 0.000 0.525 399 A N 0.528 123.154 122.820 -0.323 0.000 2.328 399 A HA 0.536 4.855 4.320 -0.002 0.000 0.284 399 A C 0.211 177.613 177.584 -0.304 0.000 1.160 399 A CA -0.491 51.242 52.037 -0.507 0.000 0.818 399 A CB 0.102 18.396 19.000 -1.176 0.000 1.087 399 A HN 0.445 nan 8.150 nan 0.000 0.504 400 N N 0.886 119.431 118.700 -0.258 0.000 2.434 400 N HA 0.214 4.953 4.740 -0.002 0.000 0.266 400 N C 0.850 176.282 175.510 -0.130 0.000 1.223 400 N CA -0.655 52.298 53.050 -0.160 0.000 0.972 400 N CB 0.695 39.088 38.487 -0.157 0.000 1.207 400 N HN 0.433 nan 8.380 nan 0.000 0.525 401 L N 1.315 122.484 121.223 -0.089 0.000 2.201 401 L HA -0.037 4.301 4.340 -0.002 0.000 0.212 401 L C 2.152 178.910 176.870 -0.188 0.000 1.105 401 L CA 1.671 56.474 54.840 -0.061 0.000 0.775 401 L CB -0.841 41.213 42.059 -0.009 0.000 0.913 401 L HN 0.776 nan 8.230 nan 0.000 0.440 402 Q N -0.768 118.779 119.800 -0.422 0.000 2.084 402 Q HA -0.238 4.100 4.340 -0.002 0.000 0.202 402 Q C 1.594 177.387 176.000 -0.345 0.000 0.978 402 Q CA 1.969 57.249 55.803 -0.872 0.000 0.844 402 Q CB -0.117 28.078 28.738 -0.903 0.000 0.898 402 Q HN 0.539 nan 8.270 nan 0.000 0.426 403 D N -0.050 120.245 120.400 -0.174 0.000 2.221 403 D HA -0.162 4.477 4.640 -0.002 0.000 0.204 403 D C 1.874 178.303 176.300 0.214 0.000 0.982 403 D CA 1.153 55.144 54.000 -0.016 0.000 0.857 403 D CB -0.208 40.499 40.800 -0.155 0.000 0.934 403 D HN 0.390 nan 8.370 nan 0.000 0.475 404 C N 0.037 119.486 119.300 0.248 0.000 2.466 404 C HA -0.126 4.332 4.460 -0.002 0.000 0.278 404 C C 2.525 177.699 174.990 0.307 0.000 1.288 404 C CA -0.135 59.114 59.018 0.384 0.000 1.722 404 C CB -1.174 26.739 27.740 0.288 0.000 2.017 404 C HN 0.359 nan 8.230 nan 0.000 0.488 405 Y N 1.900 122.226 120.300 0.044 0.000 2.263 405 Y HA -0.111 4.438 4.550 -0.002 0.000 0.292 405 Y C 2.796 178.788 175.900 0.153 0.000 1.130 405 Y CA 1.791 59.944 58.100 0.087 0.000 1.179 405 Y CB -0.528 37.961 38.460 0.048 0.000 0.998 405 Y HN 0.175 nan 8.280 nan 0.000 0.532 406 R N -0.061 120.483 120.500 0.072 0.000 2.091 406 R HA -0.195 4.144 4.340 -0.002 0.000 0.238 406 R C 2.163 178.452 176.300 -0.018 0.000 1.136 406 R CA 1.843 57.947 56.100 0.006 0.000 0.959 406 R CB -0.643 29.685 30.300 0.047 0.000 0.856 406 R HN 0.475 nan 8.270 nan 0.000 0.437 407 L N 0.267 121.530 121.223 0.066 0.000 2.056 407 L HA -0.165 4.174 4.340 -0.002 0.000 0.207 407 L C 2.077 178.966 176.870 0.032 0.000 1.078 407 L CA 1.736 56.592 54.840 0.027 0.000 0.749 407 L CB -0.863 41.216 42.059 0.033 0.000 0.901 407 L HN 0.265 nan 8.230 nan 0.000 0.433 408 Y N 0.081 120.394 120.300 0.022 0.000 2.165 408 Y HA -0.305 4.243 4.550 -0.002 0.000 0.286 408 Y C 2.551 178.348 175.900 -0.172 0.000 1.155 408 Y CA 2.151 60.243 58.100 -0.013 0.000 1.164 408 Y CB -0.131 38.276 38.460 -0.088 0.000 0.978 408 Y HN 0.363 nan 8.280 nan 0.000 0.513 409 Q N -0.553 119.053 119.800 -0.323 0.000 2.170 409 Q HA -0.135 4.203 4.340 -0.002 0.000 0.203 409 Q C 2.441 178.228 176.000 -0.355 0.000 0.976 409 Q CA 1.115 56.679 55.803 -0.398 0.000 0.858 409 Q CB -0.407 28.116 28.738 -0.357 0.000 0.907 409 Q HN 0.687 nan 8.270 nan 0.000 0.433 410 G N 0.933 109.572 108.800 -0.267 0.000 2.404 410 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.215 410 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.215 410 G C 1.384 176.198 174.900 -0.143 0.000 1.174 410 G CA 0.405 45.369 45.100 -0.226 0.000 0.780 410 G HN 0.230 nan 8.290 nan 0.000 0.537 411 I N 0.859 121.313 120.570 -0.193 0.000 2.546 411 I HA -0.096 4.072 4.170 -0.002 0.000 0.255 411 I C 2.464 178.452 176.117 -0.215 0.000 1.163 411 I CA 0.763 61.956 61.300 -0.179 0.000 1.457 411 I CB -0.193 37.670 38.000 -0.228 0.000 1.092 411 I HN 0.107 nan 8.210 nan 0.000 0.434 412 N N 1.374 119.836 118.700 -0.396 0.000 2.166 412 N HA -0.187 4.552 4.740 -0.002 0.000 0.186 412 N C 1.412 176.780 175.510 -0.237 0.000 1.019 412 N CA 1.368 54.167 53.050 -0.418 0.000 0.856 412 N CB 0.052 38.178 38.487 -0.601 0.000 0.993 412 N HN 0.387 nan 8.380 nan 0.000 0.426 413 Q N -0.409 119.247 119.800 -0.239 0.000 2.211 413 Q HA 0.108 4.447 4.340 -0.002 0.000 0.231 413 Q C 0.758 176.728 176.000 -0.051 0.000 0.865 413 Q CA -0.242 55.445 55.803 -0.194 0.000 0.997 413 Q CB 0.516 29.063 28.738 -0.318 0.000 1.101 413 Q HN 0.281 nan 8.270 nan 0.000 0.468 414 L N 2.038 123.283 121.223 0.038 0.000 2.102 414 L HA 0.058 4.397 4.340 -0.002 0.000 0.202 414 L C -0.952 175.978 176.870 0.100 0.000 1.076 414 L CA 1.385 56.327 54.840 0.169 0.000 0.761 414 L CB -0.616 41.522 42.059 0.131 0.000 0.921 414 L HN 0.037 nan 8.230 nan 0.000 0.444 415 P HA -0.125 nan 4.420 nan 0.000 0.221 415 P C 0.984 178.304 177.300 0.033 0.000 1.150 415 P CA 1.080 64.204 63.100 0.040 0.000 0.800 415 P CB -0.221 31.493 31.700 0.023 0.000 0.787 416 N N 0.262 118.973 118.700 0.017 0.000 2.289 416 N HA -0.098 4.641 4.740 -0.002 0.000 0.184 416 N C 1.624 177.153 175.510 0.033 0.000 1.016 416 N CA 0.773 53.828 53.050 0.007 0.000 0.872 416 N CB -0.849 37.621 38.487 -0.029 0.000 0.973 416 N HN -0.077 nan 8.380 nan 0.000 0.433 417 V N 1.720 121.678 119.914 0.074 0.000 2.323 417 V HA -0.152 3.967 4.120 -0.002 0.000 0.244 417 V C 2.174 178.311 176.094 0.071 0.000 1.041 417 V CA 1.502 63.863 62.300 0.101 0.000 1.025 417 V CB -0.568 31.365 31.823 0.183 0.000 0.656 417 V HN 0.449 nan 8.190 nan 0.000 0.451 418 I N -1.659 118.951 120.570 0.067 0.000 2.916 418 I HA -0.151 4.018 4.170 -0.002 0.000 0.267 418 I C 2.266 178.400 176.117 0.029 0.000 1.263 418 I CA 1.181 62.511 61.300 0.052 0.000 1.471 418 I CB -0.549 37.487 38.000 0.060 0.000 1.089 418 I HN 0.246 nan 8.210 nan 0.000 0.468 419 Q N 1.942 121.757 119.800 0.025 0.000 2.119 419 Q HA -0.056 4.283 4.340 -0.002 0.000 0.201 419 Q C 2.474 178.475 176.000 0.001 0.000 0.972 419 Q CA 1.938 57.750 55.803 0.014 0.000 0.847 419 Q CB -0.170 28.575 28.738 0.012 0.000 0.903 419 Q HN 0.739 nan 8.270 nan 0.000 0.433 420 A N 0.281 123.102 122.820 0.002 0.000 1.975 420 A HA 0.033 4.352 4.320 -0.002 0.000 0.215 420 A C 2.122 179.668 177.584 -0.062 0.000 1.170 420 A CA 0.308 52.336 52.037 -0.015 0.000 0.656 420 A CB -0.340 18.666 19.000 0.010 0.000 0.821 420 A HN 0.250 nan 8.150 nan 0.000 0.449 421 L N -0.438 120.755 121.223 -0.051 0.000 2.217 421 L HA -0.091 4.247 4.340 -0.002 0.000 0.211 421 L C 1.749 178.467 176.870 -0.254 0.000 1.107 421 L CA 0.950 55.715 54.840 -0.125 0.000 0.783 421 L CB -0.291 41.763 42.059 -0.008 0.000 0.919 421 L HN 0.452 nan 8.230 nan 0.000 0.442 422 E N -0.389 119.742 120.200 -0.116 0.000 2.476 422 E HA -0.063 4.286 4.350 -0.002 0.000 0.191 422 E C 1.384 177.975 176.600 -0.014 0.000 1.064 422 E CA 0.083 56.460 56.400 -0.038 0.000 0.866 422 E CB 0.344 30.060 29.700 0.028 0.000 0.952 422 E HN 0.457 nan 8.360 nan 0.000 0.492 423 K N -0.749 119.572 120.400 -0.131 0.000 2.225 423 K HA 0.097 4.416 4.320 -0.002 0.000 0.204 423 K C 0.281 176.928 176.600 0.077 0.000 1.047 423 K CA 0.349 56.628 56.287 -0.013 0.000 0.970 423 K CB 0.130 32.612 32.500 -0.029 0.000 0.939 423 K HN -0.001 nan 8.250 nan 0.000 0.472 424 H N -0.074 118.976 119.070 -0.034 0.000 1.452 424 H HA -0.248 4.307 4.556 -0.002 0.000 0.090 424 H C 0.924 176.227 175.328 -0.042 0.000 0.648 424 H CA 1.986 57.998 56.048 -0.060 0.000 1.901 424 H CB -0.750 28.985 29.762 -0.044 0.000 2.257 424 H HN 0.263 nan 8.280 nan 0.000 0.961 425 E N -0.841 119.451 120.200 0.153 0.000 2.406 425 E HA 0.321 4.670 4.350 -0.002 0.000 0.204 425 E C 1.011 177.651 176.600 0.066 0.000 0.820 425 E CA 0.603 57.043 56.400 0.065 0.000 1.136 425 E CB 1.614 31.331 29.700 0.030 0.000 1.129 425 E HN 0.653 nan 8.360 nan 0.000 0.530 426 G N 1.076 109.920 108.800 0.074 0.000 5.181 426 G HA2 0.066 4.024 3.960 -0.002 0.000 0.208 426 G HA3 0.066 4.024 3.960 -0.002 0.000 0.208 426 G C -0.524 174.364 174.900 -0.020 0.000 0.786 426 G CA -0.577 44.545 45.100 0.038 0.000 0.803 426 G HN -0.028 nan 8.290 nan 0.000 0.404 427 K N 0.436 120.779 120.400 -0.095 0.000 3.353 427 K HA -0.207 4.112 4.320 -0.002 0.000 0.272 427 K C 0.888 177.325 176.600 -0.273 0.000 1.071 427 K CA 0.617 56.630 56.287 -0.457 0.000 0.789 427 K CB -1.435 30.857 32.500 -0.347 0.000 1.325 427 K HN 0.598 nan 8.250 nan 0.000 0.464 428 H N 1.106 120.040 119.070 -0.226 0.000 2.357 428 H HA -0.040 4.515 4.556 -0.002 0.000 0.301 428 H C 0.227 175.475 175.328 -0.133 0.000 1.082 428 H CA 1.566 57.537 56.048 -0.129 0.000 1.342 428 H CB 0.463 30.183 29.762 -0.071 0.000 1.389 428 H HN 0.518 nan 8.280 nan 0.000 0.511 429 Q N 0.633 120.390 119.800 -0.072 0.000 3.122 429 Q HA 0.116 4.455 4.340 -0.002 0.000 0.282 429 Q C 0.409 176.354 176.000 -0.092 0.000 0.947 429 Q CA -0.176 55.584 55.803 -0.071 0.000 0.812 429 Q CB 1.226 29.999 28.738 0.058 0.000 1.333 429 Q HN 0.200 nan 8.270 nan 0.000 0.430 430 K N 1.248 121.548 120.400 -0.167 0.000 2.444 430 K HA 0.107 4.425 4.320 -0.002 0.000 0.193 430 K C 1.163 177.754 176.600 -0.016 0.000 1.024 430 K CA 0.194 56.421 56.287 -0.099 0.000 1.077 430 K CB 0.377 32.778 32.500 -0.166 0.000 0.833 430 K HN 0.468 nan 8.250 nan 0.000 0.517 431 L N 0.460 121.665 121.223 -0.029 0.000 2.042 431 L HA -0.207 4.132 4.340 -0.002 0.000 0.210 431 L C 1.829 178.721 176.870 0.037 0.000 1.076 431 L CA 1.415 56.252 54.840 -0.006 0.000 0.749 431 L CB -0.218 41.829 42.059 -0.021 0.000 0.893 431 L HN 0.218 nan 8.230 nan 0.000 0.432 432 L N -1.049 120.215 121.223 0.070 0.000 2.766 432 L HA 0.160 4.499 4.340 -0.002 0.000 0.242 432 L C 0.522 177.519 176.870 0.211 0.000 1.136 432 L CA -0.242 54.675 54.840 0.129 0.000 0.933 432 L CB 0.490 42.633 42.059 0.140 0.000 1.241 432 L HN 0.140 nan 8.230 nan 0.000 0.522 433 L N 1.029 122.360 121.223 0.179 0.000 2.466 433 L HA 0.302 4.641 4.340 -0.002 0.000 0.248 433 L C 0.756 177.742 176.870 0.194 0.000 1.240 433 L CA 0.034 55.018 54.840 0.240 0.000 1.180 433 L CB 0.170 42.375 42.059 0.242 0.000 1.413 433 L HN 0.146 nan 8.230 nan 0.000 0.406 434 A N 0.694 123.622 122.820 0.180 0.000 2.709 434 A HA 0.208 4.527 4.320 -0.002 0.000 0.212 434 A C 0.796 178.429 177.584 0.082 0.000 1.280 434 A CA -0.006 52.097 52.037 0.112 0.000 1.034 434 A CB 0.539 19.584 19.000 0.075 0.000 1.255 434 A HN 0.241 nan 8.150 nan 0.000 0.547 435 V N -0.959 119.022 119.914 0.110 0.000 3.578 435 V HA 0.309 4.427 4.120 -0.002 0.000 0.290 435 V C 1.072 176.997 176.094 -0.281 0.000 1.376 435 V CA 0.959 63.227 62.300 -0.053 0.000 1.083 435 V CB -0.605 31.197 31.823 -0.034 0.000 0.911 435 V HN 0.498 nan 8.190 nan 0.000 0.433 436 F N -2.118 117.875 119.950 0.070 0.000 2.754 436 F HA 0.224 4.750 4.527 -0.002 0.000 0.316 436 F C 1.750 177.587 175.800 0.062 0.000 0.959 436 F CA 0.422 58.466 58.000 0.073 0.000 1.148 436 F CB 0.492 39.558 39.000 0.110 0.000 0.951 436 F HN -0.140 nan 8.300 nan 0.000 0.625 437 V N 0.124 120.181 119.914 0.239 0.000 2.273 437 V HA -0.192 3.927 4.120 -0.002 0.000 0.242 437 V C 2.573 178.727 176.094 0.100 0.000 1.035 437 V CA 2.529 64.922 62.300 0.154 0.000 1.013 437 V CB -1.081 30.828 31.823 0.144 0.000 0.652 437 V HN 0.494 nan 8.190 nan 0.000 0.452 438 T N -1.159 113.443 114.554 0.080 0.000 2.821 438 T HA -0.063 4.286 4.350 -0.002 0.000 0.267 438 T C -0.207 174.514 174.700 0.033 0.000 1.046 438 T CA 1.378 63.509 62.100 0.051 0.000 1.139 438 T CB -1.611 67.281 68.868 0.040 0.000 0.871 438 T HN 0.410 nan 8.240 nan 0.000 0.454 439 P HA 0.134 nan 4.420 nan 0.000 0.217 439 P C 1.678 178.990 177.300 0.019 0.000 1.151 439 P CA 0.629 63.727 63.100 -0.002 0.000 0.828 439 P CB -0.238 31.431 31.700 -0.051 0.000 0.788 440 L N -1.462 119.783 121.223 0.036 0.000 2.141 440 L HA -0.115 4.223 4.340 -0.002 0.000 0.209 440 L C 2.451 179.359 176.870 0.064 0.000 1.094 440 L CA 1.646 56.517 54.840 0.051 0.000 0.763 440 L CB -1.171 40.927 42.059 0.065 0.000 0.908 440 L HN 0.076 nan 8.230 nan 0.000 0.437 441 T N -1.415 113.174 114.554 0.059 0.000 3.023 441 T HA -0.107 4.242 4.350 -0.002 0.000 0.266 441 T C 1.336 176.067 174.700 0.053 0.000 1.093 441 T CA 0.888 63.022 62.100 0.058 0.000 1.129 441 T CB -0.052 68.848 68.868 0.052 0.000 0.899 441 T HN 0.245 nan 8.240 nan 0.000 0.491 442 D N 1.124 121.550 120.400 0.043 0.000 2.103 442 D HA 0.049 4.687 4.640 -0.002 0.000 0.199 442 D C 2.026 178.350 176.300 0.040 0.000 0.978 442 D CA 0.870 54.888 54.000 0.031 0.000 0.829 442 D CB -0.301 40.507 40.800 0.014 0.000 0.981 442 D HN 0.389 nan 8.370 nan 0.000 0.464 443 L N 0.432 121.695 121.223 0.067 0.000 2.275 443 L HA -0.070 4.269 4.340 -0.002 0.000 0.215 443 L C 2.347 179.349 176.870 0.221 0.000 1.119 443 L CA 0.450 55.371 54.840 0.135 0.000 0.790 443 L CB -0.230 41.942 42.059 0.188 0.000 0.919 443 L HN -0.045 nan 8.230 nan 0.000 0.443 444 R N 1.131 121.719 120.500 0.147 0.000 2.081 444 R HA -0.147 4.192 4.340 -0.002 0.000 0.235 444 R C 2.356 178.732 176.300 0.127 0.000 1.131 444 R CA 2.173 58.355 56.100 0.137 0.000 0.960 444 R CB -0.712 29.642 30.300 0.090 0.000 0.856 444 R HN 0.413 nan 8.270 nan 0.000 0.436 445 S N -0.710 115.042 115.700 0.088 0.000 2.470 445 S HA 0.022 4.490 4.470 -0.002 0.000 0.225 445 S C 1.263 175.895 174.600 0.053 0.000 1.006 445 S CA 0.630 58.871 58.200 0.068 0.000 0.934 445 S CB -0.043 63.185 63.200 0.046 0.000 0.778 445 S HN 0.272 nan 8.310 nan 0.000 0.517 446 D N 1.065 121.473 120.400 0.013 0.000 2.183 446 D HA 0.067 4.706 4.640 -0.002 0.000 0.203 446 D C 0.371 176.570 176.300 -0.169 0.000 0.969 446 D CA 0.854 54.791 54.000 -0.106 0.000 0.842 446 D CB -0.229 40.425 40.800 -0.243 0.000 0.957 446 D HN 0.492 nan 8.370 nan 0.000 0.484 447 F N 0.393 120.373 119.950 0.050 0.000 2.668 447 F HA 0.106 4.631 4.527 -0.002 0.000 0.297 447 F C 2.043 177.872 175.800 0.049 0.000 1.124 447 F CA -0.328 57.651 58.000 -0.036 0.000 1.353 447 F CB 0.015 38.957 39.000 -0.097 0.000 0.992 447 F HN -0.152 nan 8.300 nan 0.000 0.524 448 S N -0.308 115.504 115.700 0.187 0.000 2.371 448 S HA -0.144 4.324 4.470 -0.002 0.000 0.224 448 S C 1.950 176.637 174.600 0.145 0.000 1.029 448 S CA 0.781 59.072 58.200 0.150 0.000 0.978 448 S CB -0.229 63.036 63.200 0.108 0.000 0.833 448 S HN 0.366 nan 8.310 nan 0.000 0.466 449 K N 0.278 120.775 120.400 0.162 0.000 2.148 449 K HA 0.066 4.385 4.320 -0.002 0.000 0.204 449 K C 1.852 178.543 176.600 0.151 0.000 1.050 449 K CA 1.180 57.566 56.287 0.166 0.000 0.942 449 K CB -0.375 32.257 32.500 0.219 0.000 0.724 449 K HN 0.443 nan 8.250 nan 0.000 0.446 450 F N 2.692 122.605 119.950 -0.063 0.000 2.126 450 F HA -0.233 4.293 4.527 -0.002 0.000 0.299 450 F C 2.151 177.942 175.800 -0.016 0.000 1.096 450 F CA 1.586 59.476 58.000 -0.184 0.000 1.255 450 F CB -0.111 38.571 39.000 -0.530 0.000 0.997 450 F HN 0.011 nan 8.300 nan 0.000 0.479 451 Q N 0.167 119.963 119.800 -0.006 0.000 2.046 451 Q HA -0.213 4.125 4.340 -0.002 0.000 0.200 451 Q C 2.152 178.119 176.000 -0.054 0.000 0.975 451 Q CA 1.945 57.770 55.803 0.038 0.000 0.836 451 Q CB -0.403 28.488 28.738 0.256 0.000 0.896 451 Q HN 0.565 nan 8.270 nan 0.000 0.428 452 E N 0.613 120.812 120.200 -0.001 0.000 2.130 452 E HA -0.238 4.111 4.350 -0.002 0.000 0.196 452 E C 1.932 178.486 176.600 -0.077 0.000 0.998 452 E CA 1.164 57.559 56.400 -0.010 0.000 0.806 452 E CB -0.177 29.544 29.700 0.035 0.000 0.738 452 E HN 0.356 nan 8.360 nan 0.000 0.459 453 M N 0.588 120.114 119.600 -0.123 0.000 2.077 453 M HA -0.172 4.307 4.480 -0.002 0.000 0.261 453 M C 2.138 178.264 176.300 -0.290 0.000 1.070 453 M CA 1.622 56.824 55.300 -0.163 0.000 1.125 453 M CB 0.009 32.529 32.600 -0.133 0.000 1.339 453 M HN 0.074 nan 8.290 nan 0.000 0.409 454 I N 0.211 120.532 120.570 -0.415 0.000 2.252 454 I HA -0.275 3.893 4.170 -0.002 0.000 0.245 454 I C 2.062 177.927 176.117 -0.419 0.000 1.102 454 I CA 1.448 62.459 61.300 -0.482 0.000 1.385 454 I CB -0.607 36.966 38.000 -0.711 0.000 1.064 454 I HN 0.391 nan 8.210 nan 0.000 0.414 455 E N 0.386 120.374 120.200 -0.352 0.000 2.118 455 E HA -0.232 4.117 4.350 -0.002 0.000 0.195 455 E C 1.957 178.457 176.600 -0.166 0.000 0.992 455 E CA 2.024 58.294 56.400 -0.218 0.000 0.804 455 E CB -0.148 29.506 29.700 -0.077 0.000 0.741 455 E HN 0.594 nan 8.360 nan 0.000 0.458 456 T N -2.528 111.916 114.554 -0.183 0.000 3.081 456 T HA 0.020 4.369 4.350 -0.002 0.000 0.250 456 T C 1.802 176.256 174.700 -0.410 0.000 1.100 456 T CA 0.943 62.944 62.100 -0.164 0.000 1.038 456 T CB 0.151 68.997 68.868 -0.037 0.000 0.962 456 T HN 0.180 nan 8.240 nan 0.000 0.516 457 T N -0.705 113.553 114.554 -0.493 0.000 2.999 457 T HA 0.421 4.769 4.350 -0.002 0.000 0.247 457 T C 0.225 174.727 174.700 -0.331 0.000 1.012 457 T CA -0.361 61.361 62.100 -0.629 0.000 1.048 457 T CB -0.164 68.310 68.868 -0.657 0.000 1.020 457 T HN 0.178 nan 8.240 nan 0.000 0.478 458 L N 2.762 123.835 121.223 -0.250 0.000 2.287 458 L HA 0.549 4.887 4.340 -0.002 0.000 0.287 458 L C -0.607 176.185 176.870 -0.130 0.000 1.022 458 L CA -0.562 54.181 54.840 -0.162 0.000 0.814 458 L CB 1.401 43.378 42.059 -0.137 0.000 1.217 458 L HN 0.103 nan 8.230 nan 0.000 0.420 459 D N 3.264 123.606 120.400 -0.096 0.000 2.325 459 D HA 0.139 4.778 4.640 -0.002 0.000 0.251 459 D C 1.081 177.321 176.300 -0.100 0.000 1.196 459 D CA -0.206 53.749 54.000 -0.075 0.000 0.866 459 D CB 0.999 41.770 40.800 -0.048 0.000 1.101 459 D HN 0.543 nan 8.370 nan 0.000 0.476 460 M N 1.411 120.963 119.600 -0.079 0.000 2.557 460 M HA 0.012 4.490 4.480 -0.002 0.000 0.259 460 M C 0.150 176.391 176.300 -0.099 0.000 1.086 460 M CA 0.902 56.149 55.300 -0.088 0.000 1.096 460 M CB 0.211 32.813 32.600 0.004 0.000 1.424 460 M HN 0.022 nan 8.290 nan 0.000 0.488 461 D N 1.418 121.770 120.400 -0.079 0.000 2.194 461 D HA -0.099 4.540 4.640 -0.002 0.000 0.204 461 D C 1.989 178.225 176.300 -0.107 0.000 0.964 461 D CA 1.233 55.188 54.000 -0.074 0.000 0.846 461 D CB -0.248 40.524 40.800 -0.047 0.000 0.962 461 D HN 0.631 nan 8.370 nan 0.000 0.490 462 Q N 0.106 119.833 119.800 -0.122 0.000 2.269 462 Q HA 0.020 4.359 4.340 -0.002 0.000 0.201 462 Q C 2.212 178.060 176.000 -0.253 0.000 0.946 462 Q CA 0.357 56.074 55.803 -0.144 0.000 0.877 462 Q CB 0.405 29.081 28.738 -0.104 0.000 0.963 462 Q HN 0.115 nan 8.270 nan 0.000 0.472 463 V N 1.577 121.300 119.914 -0.318 0.000 2.270 463 V HA -0.195 3.923 4.120 -0.002 0.000 0.245 463 V C 1.011 176.789 176.094 -0.527 0.000 1.043 463 V CA 1.535 63.498 62.300 -0.561 0.000 1.014 463 V CB -0.270 31.185 31.823 -0.613 0.000 0.645 463 V HN 0.331 nan 8.190 nan 0.000 0.447 464 E N 1.013 121.025 120.200 -0.313 0.000 2.975 464 E HA -0.003 4.346 4.350 -0.002 0.000 0.301 464 E C 0.592 177.048 176.600 -0.239 0.000 1.554 464 E CA -0.148 56.118 56.400 -0.224 0.000 1.716 464 E CB -0.227 29.404 29.700 -0.116 0.000 1.365 464 E HN 0.446 nan 8.360 nan 0.000 0.469 465 N N -0.574 117.930 118.700 -0.327 0.000 2.517 465 N HA 0.114 4.852 4.740 -0.002 0.000 0.121 465 N C 0.683 175.884 175.510 -0.514 0.000 1.776 465 N CA -0.008 52.843 53.050 -0.331 0.000 1.255 465 N CB 0.696 39.063 38.487 -0.200 0.000 0.954 465 N HN 0.140 nan 8.380 nan 0.000 0.414 466 H N -0.599 118.336 119.070 -0.226 0.000 2.348 466 H HA 0.183 4.738 4.556 -0.002 0.000 0.233 466 H C -0.002 175.154 175.328 -0.287 0.000 0.889 466 H CA 0.092 56.026 56.048 -0.190 0.000 1.034 466 H CB 0.949 30.655 29.762 -0.093 0.000 1.393 466 H HN 0.476 nan 8.280 nan 0.000 0.422 467 E N 1.327 121.419 120.200 -0.180 0.000 2.267 467 E HA 0.230 4.579 4.350 -0.002 0.000 0.258 467 E C -1.207 175.089 176.600 -0.507 0.000 1.074 467 E CA -0.669 55.622 56.400 -0.182 0.000 0.915 467 E CB 1.197 30.891 29.700 -0.009 0.000 1.186 467 E HN -0.030 nan 8.360 nan 0.000 0.439 468 F N 0.235 120.154 119.950 -0.052 0.000 2.496 468 F HA 0.426 4.952 4.527 -0.002 0.000 0.341 468 F C -0.252 175.515 175.800 -0.056 0.000 1.134 468 F CA -0.673 57.272 58.000 -0.092 0.000 0.968 468 F CB 1.343 40.288 39.000 -0.091 0.000 1.205 468 F HN 0.117 nan 8.300 nan 0.000 0.436 469 L N 3.060 124.315 121.223 0.053 0.000 2.323 469 L HA 0.688 5.027 4.340 -0.002 0.000 0.265 469 L C -0.488 176.396 176.870 0.023 0.000 1.012 469 L CA -1.505 53.368 54.840 0.054 0.000 0.820 469 L CB 2.193 44.286 42.059 0.057 0.000 1.334 469 L HN 0.175 nan 8.230 nan 0.000 0.427 470 V N 0.884 120.814 119.914 0.027 0.000 2.775 470 V HA 0.123 4.242 4.120 -0.002 0.000 0.299 470 V C 0.357 176.458 176.094 0.012 0.000 1.062 470 V CA -0.760 61.529 62.300 -0.019 0.000 1.063 470 V CB 0.871 32.680 31.823 -0.025 0.000 0.994 470 V HN 0.615 nan 8.190 nan 0.000 0.483 471 K N 5.024 125.408 120.400 -0.028 0.000 2.436 471 K HA 0.115 4.433 4.320 -0.002 0.000 0.282 471 K C -1.661 175.012 176.600 0.121 0.000 1.044 471 K CA -0.990 55.317 56.287 0.035 0.000 1.028 471 K CB 0.727 33.234 32.500 0.012 0.000 0.919 471 K HN 0.438 nan 8.250 nan 0.000 0.474 472 P HA -0.125 nan 4.420 nan 0.000 0.219 472 P C 0.390 177.768 177.300 0.130 0.000 1.150 472 P CA 0.884 64.078 63.100 0.157 0.000 0.814 472 P CB 0.248 32.056 31.700 0.179 0.000 0.787 473 S N -2.107 113.665 115.700 0.119 0.000 2.930 473 S HA 0.171 4.640 4.470 -0.002 0.000 0.257 473 S C 0.626 175.323 174.600 0.161 0.000 1.208 473 S CA -0.434 57.827 58.200 0.102 0.000 1.233 473 S CB -1.549 61.696 63.200 0.075 0.000 0.900 473 S HN 0.081 nan 8.310 nan 0.000 0.472 474 F N 1.145 121.092 119.950 -0.005 0.000 2.334 474 F HA 0.408 4.934 4.527 -0.002 0.000 0.269 474 F C -0.301 175.488 175.800 -0.020 0.000 0.879 474 F CA -0.294 57.697 58.000 -0.014 0.000 1.102 474 F CB 0.203 39.191 39.000 -0.020 0.000 1.032 474 F HN 0.289 nan 8.300 nan 0.000 0.782 475 D N 2.770 123.163 120.400 -0.011 0.000 2.317 475 D HA 0.287 4.925 4.640 -0.002 0.000 0.234 475 D C -1.807 174.445 176.300 -0.081 0.000 1.112 475 D CA -2.767 51.156 54.000 -0.128 0.000 0.840 475 D CB 1.746 42.541 40.800 -0.008 0.000 1.078 475 D HN -0.006 nan 8.370 nan 0.000 0.486 476 P HA -0.158 nan 4.420 nan 0.000 0.218 476 P C 0.998 178.272 177.300 -0.042 0.000 1.148 476 P CA 0.723 63.784 63.100 -0.065 0.000 0.822 476 P CB 0.376 32.030 31.700 -0.076 0.000 0.784 477 N N -0.288 118.379 118.700 -0.055 0.000 2.309 477 N HA -0.081 4.657 4.740 -0.002 0.000 0.182 477 N C 1.668 177.154 175.510 -0.041 0.000 1.018 477 N CA 0.966 53.988 53.050 -0.046 0.000 0.876 477 N CB -0.672 37.779 38.487 -0.059 0.000 0.972 477 N HN 0.148 nan 8.380 nan 0.000 0.434 478 L N -0.645 120.548 121.223 -0.049 0.000 2.408 478 L HA 0.107 4.445 4.340 -0.002 0.000 0.215 478 L C 2.263 179.190 176.870 0.095 0.000 1.081 478 L CA 0.572 55.392 54.840 -0.033 0.000 0.840 478 L CB -0.364 41.591 42.059 -0.173 0.000 1.002 478 L HN 0.164 nan 8.230 nan 0.000 0.468 479 S N -0.145 115.588 115.700 0.054 0.000 2.368 479 S HA -0.275 4.193 4.470 -0.002 0.000 0.225 479 S C 1.799 176.433 174.600 0.057 0.000 1.030 479 S CA 1.606 59.843 58.200 0.063 0.000 0.999 479 S CB -0.297 62.922 63.200 0.031 0.000 0.844 479 S HN 0.499 nan 8.310 nan 0.000 0.459 480 E N 0.223 120.446 120.200 0.038 0.000 2.158 480 E HA -0.018 4.331 4.350 -0.002 0.000 0.191 480 E C 1.992 178.618 176.600 0.043 0.000 0.982 480 E CA 0.539 56.957 56.400 0.030 0.000 0.823 480 E CB -0.146 29.562 29.700 0.013 0.000 0.766 480 E HN 0.440 nan 8.360 nan 0.000 0.468 481 L N 1.887 123.153 121.223 0.072 0.000 2.131 481 L HA -0.156 4.182 4.340 -0.002 0.000 0.210 481 L C 2.382 179.311 176.870 0.099 0.000 1.092 481 L CA 1.908 56.809 54.840 0.103 0.000 0.759 481 L CB -0.376 41.781 42.059 0.165 0.000 0.903 481 L HN 0.132 nan 8.230 nan 0.000 0.435 482 R N -1.335 119.240 120.500 0.125 0.000 2.200 482 R HA -0.008 4.331 4.340 -0.002 0.000 0.208 482 R C 1.742 178.044 176.300 0.003 0.000 1.033 482 R CA 1.033 57.145 56.100 0.021 0.000 1.000 482 R CB -0.568 29.762 30.300 0.050 0.000 0.906 482 R HN 0.384 nan 8.270 nan 0.000 0.462 483 E N 1.116 121.330 120.200 0.023 0.000 2.152 483 E HA -0.064 4.284 4.350 -0.002 0.000 0.192 483 E C 1.882 178.486 176.600 0.006 0.000 0.983 483 E CA 1.093 57.501 56.400 0.014 0.000 0.818 483 E CB -0.042 29.668 29.700 0.017 0.000 0.758 483 E HN 0.422 nan 8.360 nan 0.000 0.467 484 I N 0.889 121.458 120.570 -0.002 0.000 2.252 484 I HA -0.272 3.897 4.170 -0.002 0.000 0.245 484 I C 2.435 178.545 176.117 -0.011 0.000 1.102 484 I CA 0.759 62.053 61.300 -0.010 0.000 1.385 484 I CB -0.277 37.709 38.000 -0.023 0.000 1.064 484 I HN 0.157 nan 8.210 nan 0.000 0.414 485 M N 0.363 119.930 119.600 -0.054 0.000 2.065 485 M HA -0.226 4.252 4.480 -0.002 0.000 0.259 485 M C 2.157 178.527 176.300 0.116 0.000 1.069 485 M CA 1.831 57.119 55.300 -0.020 0.000 1.110 485 M CB -1.791 30.726 32.600 -0.140 0.000 1.328 485 M HN 0.266 nan 8.290 nan 0.000 0.405 486 N N 0.956 119.682 118.700 0.043 0.000 2.104 486 N HA -0.171 4.568 4.740 -0.002 0.000 0.190 486 N C 1.136 176.657 175.510 0.020 0.000 1.024 486 N CA 1.637 54.706 53.050 0.033 0.000 0.853 486 N CB -0.180 38.317 38.487 0.016 0.000 1.008 486 N HN 0.224 nan 8.380 nan 0.000 0.424 487 D N -0.074 120.336 120.400 0.017 0.000 2.117 487 D HA -0.059 4.580 4.640 -0.002 0.000 0.198 487 D C 1.976 178.274 176.300 -0.003 0.000 0.982 487 D CA 0.581 54.585 54.000 0.006 0.000 0.828 487 D CB -0.286 40.518 40.800 0.007 0.000 0.967 487 D HN 0.310 nan 8.370 nan 0.000 0.464 488 L N 0.736 121.969 121.223 0.017 0.000 2.191 488 L HA -0.132 4.207 4.340 -0.002 0.000 0.212 488 L C 2.140 178.932 176.870 -0.130 0.000 1.103 488 L CA 1.032 55.863 54.840 -0.015 0.000 0.769 488 L CB -0.319 41.798 42.059 0.097 0.000 0.908 488 L HN 0.042 nan 8.230 nan 0.000 0.438 489 E N 0.169 120.302 120.200 -0.113 0.000 2.208 489 E HA -0.188 4.161 4.350 -0.002 0.000 0.193 489 E C 2.023 178.559 176.600 -0.107 0.000 0.988 489 E CA 0.825 57.119 56.400 -0.176 0.000 0.828 489 E CB 0.083 29.731 29.700 -0.085 0.000 0.763 489 E HN 0.469 nan 8.360 nan 0.000 0.478 490 K N 0.746 121.111 120.400 -0.059 0.000 2.228 490 K HA -0.029 4.289 4.320 -0.002 0.000 0.202 490 K C 1.830 178.408 176.600 -0.037 0.000 1.051 490 K CA 0.715 56.981 56.287 -0.035 0.000 0.960 490 K CB 0.140 32.629 32.500 -0.018 0.000 0.743 490 K HN -0.053 nan 8.250 nan 0.000 0.458 491 K N -0.101 120.268 120.400 -0.051 0.000 2.305 491 K HA 0.091 4.410 4.320 -0.002 0.000 0.199 491 K C 1.892 178.456 176.600 -0.060 0.000 1.047 491 K CA 0.544 56.805 56.287 -0.043 0.000 0.976 491 K CB 0.162 32.639 32.500 -0.039 0.000 0.765 491 K HN 0.032 nan 8.250 nan 0.000 0.474 492 M N 0.937 120.463 119.600 -0.124 0.000 2.077 492 M HA -0.124 4.354 4.480 -0.002 0.000 0.261 492 M C 1.889 178.169 176.300 -0.032 0.000 1.070 492 M CA 1.739 56.947 55.300 -0.154 0.000 1.125 492 M CB -0.867 31.538 32.600 -0.326 0.000 1.339 492 M HN 0.128 nan 8.290 nan 0.000 0.409 493 Q N 0.003 119.784 119.800 -0.032 0.000 2.364 493 Q HA -0.086 4.252 4.340 -0.002 0.000 0.207 493 Q C 2.091 178.109 176.000 0.029 0.000 0.970 493 Q CA 1.546 57.357 55.803 0.012 0.000 0.888 493 Q CB -0.152 28.584 28.738 -0.003 0.000 0.951 493 Q HN 0.633 nan 8.270 nan 0.000 0.469 494 S N 0.160 115.872 115.700 0.021 0.000 2.377 494 S HA -0.143 4.325 4.470 -0.002 0.000 0.223 494 S C 2.226 176.857 174.600 0.050 0.000 1.030 494 S CA 1.329 59.544 58.200 0.026 0.000 0.970 494 S CB -0.811 62.398 63.200 0.014 0.000 0.830 494 S HN 0.471 nan 8.310 nan 0.000 0.473 495 T N 1.427 116.030 114.554 0.081 0.000 2.788 495 T HA 0.018 4.367 4.350 -0.002 0.000 0.268 495 T C 1.843 176.628 174.700 0.142 0.000 1.044 495 T CA 1.176 63.360 62.100 0.140 0.000 1.139 495 T CB -0.969 68.042 68.868 0.238 0.000 0.867 495 T HN 0.321 nan 8.240 nan 0.000 0.454 496 L N 0.461 121.786 121.223 0.171 0.000 1.971 496 L HA -0.095 4.244 4.340 -0.002 0.000 0.215 496 L C 2.851 179.732 176.870 0.018 0.000 1.072 496 L CA 1.956 56.862 54.840 0.110 0.000 0.758 496 L CB -0.544 41.587 42.059 0.120 0.000 0.889 496 L HN 0.292 nan 8.230 nan 0.000 0.433 497 I N -1.330 119.258 120.570 0.029 0.000 2.264 497 I HA -0.315 3.854 4.170 -0.002 0.000 0.248 497 I C 2.776 178.900 176.117 0.011 0.000 1.111 497 I CA 1.405 62.714 61.300 0.015 0.000 1.382 497 I CB -0.393 37.617 38.000 0.016 0.000 1.060 497 I HN 0.243 nan 8.210 nan 0.000 0.418 498 S N 0.486 116.197 115.700 0.019 0.000 2.387 498 S HA -0.057 4.411 4.470 -0.002 0.000 0.226 498 S C 2.147 176.761 174.600 0.023 0.000 1.026 498 S CA 1.189 59.401 58.200 0.021 0.000 0.972 498 S CB -0.114 63.104 63.200 0.030 0.000 0.814 498 S HN 0.472 nan 8.310 nan 0.000 0.477 499 A N 0.801 123.620 122.820 -0.001 0.000 2.014 499 A HA 0.403 4.722 4.320 -0.002 0.000 0.218 499 A C 2.299 179.872 177.584 -0.019 0.000 1.163 499 A CA 1.359 53.391 52.037 -0.008 0.000 0.652 499 A CB -0.936 17.887 19.000 -0.295 0.000 0.808 499 A HN 0.661 nan 8.150 nan 0.000 0.449 500 A N -0.163 122.635 122.820 -0.037 0.000 2.015 500 A HA -0.086 4.233 4.320 -0.002 0.000 0.219 500 A C 2.218 179.800 177.584 -0.003 0.000 1.163 500 A CA 1.212 53.233 52.037 -0.025 0.000 0.646 500 A CB -0.372 18.617 19.000 -0.017 0.000 0.806 500 A HN 0.515 nan 8.150 nan 0.000 0.448 501 R N -0.276 120.229 120.500 0.009 0.000 2.066 501 R HA -0.102 4.236 4.340 -0.002 0.000 0.232 501 R C 1.205 177.520 176.300 0.025 0.000 1.131 501 R CA 1.515 57.623 56.100 0.014 0.000 0.955 501 R CB -0.351 29.957 30.300 0.014 0.000 0.851 501 R HN 0.415 nan 8.270 nan 0.000 0.432 502 D N 0.232 120.664 120.400 0.053 0.000 2.310 502 D HA -0.071 4.567 4.640 -0.002 0.000 0.212 502 D C 1.509 177.855 176.300 0.077 0.000 0.965 502 D CA 0.959 55.009 54.000 0.084 0.000 0.879 502 D CB 0.186 41.079 40.800 0.154 0.000 0.921 502 D HN 0.228 nan 8.370 nan 0.000 0.510 503 L N -1.464 119.780 121.223 0.034 0.000 2.701 503 L HA 0.283 4.622 4.340 -0.002 0.000 0.238 503 L C 1.027 177.880 176.870 -0.028 0.000 1.106 503 L CA 0.114 54.939 54.840 -0.024 0.000 0.898 503 L CB 0.351 42.351 42.059 -0.099 0.000 1.188 503 L HN 0.004 nan 8.230 nan 0.000 0.508 504 G N 1.955 110.747 108.800 -0.013 0.000 2.324 504 G HA2 -0.246 3.712 3.960 -0.002 0.000 0.292 504 G HA3 -0.246 3.712 3.960 -0.002 0.000 0.292 504 G C -0.393 174.497 174.900 -0.017 0.000 1.079 504 G CA 0.165 45.258 45.100 -0.013 0.000 1.026 504 G HN 0.208 nan 8.290 nan 0.000 0.506 505 L N -0.761 120.452 121.223 -0.017 0.000 2.327 505 L HA 0.507 4.845 4.340 -0.002 0.000 0.258 505 L C -0.491 176.375 176.870 -0.007 0.000 1.024 505 L CA -1.420 53.412 54.840 -0.014 0.000 0.825 505 L CB 1.555 43.604 42.059 -0.017 0.000 1.386 505 L HN -0.044 nan 8.230 nan 0.000 0.417 506 D N 2.204 122.602 120.400 -0.002 0.000 2.371 506 D HA 0.180 4.819 4.640 -0.002 0.000 0.256 506 D C -2.354 173.949 176.300 0.005 0.000 1.193 506 D CA -1.032 52.969 54.000 0.002 0.000 0.881 506 D CB 0.813 41.614 40.800 0.003 0.000 1.143 506 D HN 0.100 nan 8.370 nan 0.000 0.473 507 P HA 0.137 nan 4.420 nan 0.000 0.270 507 P C 1.053 178.362 177.300 0.015 0.000 1.242 507 P CA 0.219 63.326 63.100 0.011 0.000 0.768 507 P CB 0.955 32.661 31.700 0.010 0.000 0.820 508 G N 3.859 112.672 108.800 0.021 0.000 2.454 508 G HA2 -0.288 3.670 3.960 -0.002 0.000 0.225 508 G HA3 -0.288 3.670 3.960 -0.002 0.000 0.225 508 G C 1.289 176.200 174.900 0.018 0.000 1.138 508 G CA -0.044 45.067 45.100 0.019 0.000 0.667 508 G HN 0.428 nan 8.290 nan 0.000 0.512 509 K N 0.385 120.794 120.400 0.015 0.000 2.243 509 K HA 0.194 4.513 4.320 -0.002 0.000 0.201 509 K C 2.381 178.991 176.600 0.016 0.000 1.051 509 K CA 1.650 57.945 56.287 0.013 0.000 0.970 509 K CB 0.022 32.528 32.500 0.009 0.000 0.755 509 K HN 0.658 nan 8.250 nan 0.000 0.465 510 Q N -0.917 118.894 119.800 0.019 0.000 2.459 510 Q HA 0.313 4.651 4.340 -0.002 0.000 0.260 510 Q C 0.008 176.032 176.000 0.041 0.000 0.828 510 Q CA 0.019 55.837 55.803 0.024 0.000 0.987 510 Q CB 1.299 30.045 28.738 0.013 0.000 1.216 510 Q HN 0.066 nan 8.270 nan 0.000 0.558 511 I N 1.987 122.580 120.570 0.038 0.000 2.355 511 I HA 0.315 4.484 4.170 -0.002 0.000 0.288 511 I C -0.520 175.632 176.117 0.060 0.000 0.999 511 I CA -0.373 60.960 61.300 0.056 0.000 1.163 511 I CB 1.331 39.345 38.000 0.023 0.000 1.316 511 I HN -0.083 nan 8.210 nan 0.000 0.454 512 K N 5.705 126.150 120.400 0.075 0.000 2.258 512 K HA 0.659 4.978 4.320 -0.002 0.000 0.236 512 K C -1.020 175.620 176.600 0.067 0.000 1.008 512 K CA -0.925 55.396 56.287 0.056 0.000 0.869 512 K CB 2.707 35.224 32.500 0.029 0.000 1.171 512 K HN 0.413 nan 8.250 nan 0.000 0.447 513 L N 2.129 123.356 121.223 0.007 0.000 2.384 513 L HA 0.296 4.635 4.340 -0.002 0.000 0.261 513 L C -1.335 175.424 176.870 -0.185 0.000 1.024 513 L CA -0.367 54.423 54.840 -0.084 0.000 0.899 513 L CB 0.743 42.788 42.059 -0.024 0.000 1.243 513 L HN 0.549 nan 8.230 nan 0.000 0.449 514 D N 1.352 121.526 120.400 -0.376 0.000 2.268 514 D HA 0.603 5.242 4.640 -0.002 0.000 0.249 514 D C -0.579 175.216 176.300 -0.840 0.000 1.008 514 D CA -0.020 53.713 54.000 -0.444 0.000 0.939 514 D CB 1.901 42.532 40.800 -0.282 0.000 1.170 514 D HN 0.437 nan 8.370 nan 0.000 0.468 515 S N 0.276 115.580 115.700 -0.660 0.000 2.607 515 S HA 0.784 5.253 4.470 -0.002 0.000 0.303 515 S C -0.555 173.842 174.600 -0.338 0.000 1.086 515 S CA -0.777 56.958 58.200 -0.777 0.000 0.995 515 S CB 1.701 64.148 63.200 -1.254 0.000 1.084 515 S HN 0.317 nan 8.310 nan 0.000 0.507 516 S N -0.338 115.283 115.700 -0.132 0.000 2.579 516 S HA 0.676 5.145 4.470 -0.002 0.000 0.272 516 S C 0.589 175.151 174.600 -0.063 0.000 1.141 516 S CA -0.194 58.014 58.200 0.014 0.000 0.843 516 S CB 1.154 64.508 63.200 0.257 0.000 1.122 516 S HN 1.317 nan 8.310 nan 0.000 0.468 517 A N 1.872 124.635 122.820 -0.095 0.000 2.067 517 A HA 0.062 4.381 4.320 -0.002 0.000 0.217 517 A C 1.909 179.389 177.584 -0.172 0.000 1.156 517 A CA 0.798 52.771 52.037 -0.106 0.000 0.683 517 A CB -0.425 18.520 19.000 -0.093 0.000 0.808 517 A HN 0.761 nan 8.150 nan 0.000 0.455 518 Q N -1.195 118.415 119.800 -0.316 0.000 2.049 518 Q HA -0.051 4.288 4.340 -0.002 0.000 0.198 518 Q C 0.840 176.412 176.000 -0.713 0.000 0.971 518 Q CA 1.462 56.856 55.803 -0.682 0.000 0.833 518 Q CB -0.137 27.861 28.738 -1.234 0.000 0.896 518 Q HN 0.783 nan 8.270 nan 0.000 0.434 519 F N -1.634 118.328 119.950 0.020 0.000 2.767 519 F HA 0.374 4.900 4.527 -0.002 0.000 0.323 519 F C 1.299 177.150 175.800 0.085 0.000 1.091 519 F CA 0.278 58.300 58.000 0.037 0.000 1.192 519 F CB 0.472 39.460 39.000 -0.021 0.000 1.056 519 F HN 0.157 nan 8.300 nan 0.000 0.571 520 G N 0.470 109.376 108.800 0.176 0.000 2.498 520 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.251 520 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.251 520 G C -0.679 174.201 174.900 -0.033 0.000 1.170 520 G CA -0.514 44.620 45.100 0.057 0.000 0.944 520 G HN 0.139 nan 8.290 nan 0.000 0.567 521 Y N 1.193 121.436 120.300 -0.094 0.000 2.301 521 Y HA 0.619 5.168 4.550 -0.002 0.000 0.325 521 Y C 0.867 176.628 175.900 -0.232 0.000 1.203 521 Y CA 0.857 58.775 58.100 -0.305 0.000 1.255 521 Y CB 1.219 39.436 38.460 -0.406 0.000 1.232 521 Y HN 0.845 nan 8.280 nan 0.000 0.501 522 Y N -1.211 118.955 120.300 -0.224 0.000 2.871 522 Y HA 0.717 5.266 4.550 -0.002 0.000 0.331 522 Y C -2.136 173.404 175.900 -0.601 0.000 1.378 522 Y CA -2.531 55.305 58.100 -0.441 0.000 1.079 522 Y CB 0.818 39.120 38.460 -0.264 0.000 1.441 522 Y HN 0.260 nan 8.280 nan 0.000 0.446 523 F N 0.603 120.452 119.950 -0.169 0.000 2.538 523 F HA 0.857 5.383 4.527 -0.002 0.000 0.325 523 F C -0.099 175.515 175.800 -0.311 0.000 1.066 523 F CA -1.095 56.627 58.000 -0.462 0.000 0.946 523 F CB 2.205 40.517 39.000 -1.147 0.000 1.199 523 F HN 0.318 nan 8.300 nan 0.000 0.473 524 R N 0.771 121.321 120.500 0.083 0.000 2.698 524 R HA 0.841 5.180 4.340 -0.002 0.000 0.275 524 R C -1.777 174.647 176.300 0.207 0.000 1.001 524 R CA -0.888 55.323 56.100 0.185 0.000 0.896 524 R CB 2.842 33.255 30.300 0.188 0.000 1.218 524 R HN 0.468 nan 8.270 nan 0.000 0.462 525 V N -0.132 119.920 119.914 0.229 0.000 3.167 525 V HA 0.404 4.523 4.120 -0.002 0.000 0.310 525 V C 0.165 176.311 176.094 0.087 0.000 1.207 525 V CA -1.089 61.296 62.300 0.142 0.000 1.059 525 V CB 2.164 34.062 31.823 0.125 0.000 1.079 525 V HN 0.983 nan 8.190 nan 0.000 0.446 526 T N -1.902 112.680 114.554 0.048 0.000 2.939 526 T HA -0.068 4.281 4.350 -0.002 0.000 0.319 526 T C 0.560 175.272 174.700 0.020 0.000 1.082 526 T CA 0.017 62.134 62.100 0.029 0.000 1.133 526 T CB 0.109 68.985 68.868 0.013 0.000 1.019 526 T HN 0.877 nan 8.240 nan 0.000 0.548 527 C N 4.317 123.626 119.300 0.016 0.000 3.479 527 C HA 0.252 4.710 4.460 -0.002 0.000 0.546 527 C C 0.909 175.894 174.990 -0.009 0.000 1.207 527 C CA -0.359 58.662 59.018 0.006 0.000 1.334 527 C CB -2.699 25.045 27.740 0.007 0.000 1.611 527 C HN 0.872 nan 8.230 nan 0.000 0.640 528 K N 1.488 121.878 120.400 -0.017 0.000 3.320 528 K HA 0.191 4.510 4.320 -0.002 0.000 0.194 528 K C -0.782 175.791 176.600 -0.044 0.000 1.085 528 K CA -0.045 56.227 56.287 -0.026 0.000 0.901 528 K CB 0.507 32.996 32.500 -0.018 0.000 0.765 528 K HN 0.350 nan 8.250 nan 0.000 0.480 529 E N 1.425 121.588 120.200 -0.063 0.000 2.182 529 E HA 0.154 4.503 4.350 -0.002 0.000 0.258 529 E C 0.130 176.663 176.600 -0.112 0.000 0.879 529 E CA -0.291 56.048 56.400 -0.103 0.000 0.754 529 E CB 1.682 31.288 29.700 -0.156 0.000 1.162 529 E HN 0.119 nan 8.360 nan 0.000 0.419 530 E N 1.271 121.415 120.200 -0.095 0.000 2.460 530 E HA -0.016 4.333 4.350 -0.002 0.000 0.200 530 E C 0.840 177.383 176.600 -0.094 0.000 1.011 530 E CA 0.207 56.558 56.400 -0.083 0.000 0.912 530 E CB 0.380 30.047 29.700 -0.056 0.000 0.953 530 E HN 0.426 nan 8.360 nan 0.000 0.494 531 K N 0.356 120.685 120.400 -0.119 0.000 2.569 531 K HA 0.147 4.466 4.320 -0.002 0.000 0.193 531 K C 0.470 176.972 176.600 -0.163 0.000 1.026 531 K CA 0.155 56.371 56.287 -0.118 0.000 1.093 531 K CB 0.266 32.699 32.500 -0.111 0.000 0.849 531 K HN -0.219 nan 8.250 nan 0.000 0.509 532 V N 1.337 121.131 119.914 -0.200 0.000 2.815 532 V HA 0.252 4.371 4.120 -0.002 0.000 0.314 532 V C 1.019 177.045 176.094 -0.113 0.000 1.064 532 V CA -0.986 61.170 62.300 -0.240 0.000 0.952 532 V CB 1.345 32.894 31.823 -0.458 0.000 1.020 532 V HN 0.403 nan 8.190 nan 0.000 0.439 533 L N 0.554 121.748 121.223 -0.048 0.000 3.370 533 L HA -0.349 3.989 4.340 -0.002 0.000 0.308 533 L C 2.241 179.109 176.870 -0.003 0.000 4.222 533 L CA 2.278 57.112 54.840 -0.011 0.000 1.163 533 L CB -1.038 41.007 42.059 -0.024 0.000 3.373 533 L HN 0.898 nan 8.230 nan 0.000 0.809 534 R N -0.198 120.291 120.500 -0.019 0.000 2.112 534 R HA 0.069 4.407 4.340 -0.002 0.000 0.216 534 R C 0.904 177.199 176.300 -0.008 0.000 1.080 534 R CA 1.565 57.658 56.100 -0.012 0.000 0.996 534 R CB -0.207 30.082 30.300 -0.018 0.000 0.902 534 R HN 0.399 nan 8.270 nan 0.000 0.449 535 N N 2.151 120.841 118.700 -0.016 0.000 2.380 535 N HA 0.025 4.764 4.740 -0.002 0.000 0.255 535 N C -1.011 174.513 175.510 0.022 0.000 1.158 535 N CA -0.332 52.715 53.050 -0.006 0.000 0.878 535 N CB 0.153 38.627 38.487 -0.023 0.000 1.138 535 N HN 0.370 nan 8.380 nan 0.000 0.509 536 N N 0.539 119.270 118.700 0.051 0.000 2.399 536 N HA 0.047 4.786 4.740 -0.002 0.000 0.250 536 N C -0.457 175.136 175.510 0.137 0.000 1.272 536 N CA 0.284 53.430 53.050 0.160 0.000 0.928 536 N CB 1.026 39.611 38.487 0.163 0.000 1.158 536 N HN -0.065 nan 8.380 nan 0.000 0.463 537 K N 0.879 121.388 120.400 0.182 0.000 2.752 537 K HA 0.175 4.494 4.320 -0.002 0.000 0.199 537 K C -0.974 175.321 176.600 -0.509 0.000 1.069 537 K CA -0.566 55.664 56.287 -0.096 0.000 1.033 537 K CB 0.162 32.645 32.500 -0.028 0.000 1.229 537 K HN 0.542 nan 8.250 nan 0.000 0.572 538 N N 0.568 119.085 118.700 -0.305 0.000 2.776 538 N HA -0.186 4.553 4.740 -0.002 0.000 0.249 538 N C -0.927 174.365 175.510 -0.362 0.000 1.111 538 N CA 1.140 54.002 53.050 -0.313 0.000 0.711 538 N CB -1.590 36.709 38.487 -0.313 0.000 1.065 538 N HN 0.292 nan 8.380 nan 0.000 0.556 539 F N 0.095 120.086 119.950 0.067 0.000 2.509 539 F HA 0.724 5.249 4.527 -0.002 0.000 0.334 539 F C 0.863 176.722 175.800 0.098 0.000 1.060 539 F CA -0.615 57.460 58.000 0.124 0.000 0.997 539 F CB 1.525 40.592 39.000 0.111 0.000 1.271 539 F HN -0.215 nan 8.300 nan 0.000 0.488 540 S N -0.390 115.536 115.700 0.378 0.000 2.546 540 S HA 0.360 4.828 4.470 -0.002 0.000 0.272 540 S C -0.666 174.055 174.600 0.202 0.000 1.140 540 S CA -0.790 57.537 58.200 0.212 0.000 0.920 540 S CB 1.876 65.168 63.200 0.155 0.000 1.083 540 S HN 0.629 nan 8.310 nan 0.000 0.476 541 T N 1.631 116.250 114.554 0.107 0.000 2.910 541 T HA 0.521 4.869 4.350 -0.002 0.000 0.293 541 T C 0.679 175.378 174.700 -0.000 0.000 1.015 541 T CA -0.264 61.874 62.100 0.064 0.000 1.094 541 T CB 0.472 69.347 68.868 0.013 0.000 0.968 541 T HN 0.331 nan 8.240 nan 0.000 0.521 542 V N 2.561 122.423 119.914 -0.087 0.000 3.097 542 V HA 0.395 4.514 4.120 -0.002 0.000 0.223 542 V C 0.262 176.183 176.094 -0.288 0.000 1.199 542 V CA 0.106 62.258 62.300 -0.247 0.000 1.260 542 V CB 0.304 31.828 31.823 -0.499 0.000 1.155 542 V HN 0.816 nan 8.190 nan 0.000 0.509 543 D N -1.575 118.612 120.400 -0.355 0.000 2.599 543 D HA 0.559 5.197 4.640 -0.002 0.000 0.252 543 D C -1.625 174.589 176.300 -0.144 0.000 1.232 543 D CA -0.333 53.537 54.000 -0.217 0.000 0.819 543 D CB 2.219 42.898 40.800 -0.201 0.000 1.401 543 D HN 0.161 nan 8.370 nan 0.000 0.429 544 I N 1.021 121.554 120.570 -0.062 0.000 2.608 544 I HA 0.464 4.633 4.170 -0.002 0.000 0.295 544 I C -0.078 176.032 176.117 -0.011 0.000 1.049 544 I CA -0.638 60.640 61.300 -0.035 0.000 1.063 544 I CB 2.132 40.118 38.000 -0.022 0.000 1.248 544 I HN 0.190 nan 8.210 nan 0.000 0.424 545 Q N 2.939 122.737 119.800 -0.003 0.000 2.626 545 Q HA 0.404 4.743 4.340 -0.002 0.000 0.300 545 Q C -0.050 175.956 176.000 0.011 0.000 0.988 545 Q CA -1.013 54.796 55.803 0.010 0.000 0.761 545 Q CB 2.293 31.044 28.738 0.021 0.000 1.494 545 Q HN 0.370 nan 8.270 nan 0.000 0.439 546 K N 0.658 121.066 120.400 0.014 0.000 2.211 546 K HA -0.099 4.220 4.320 -0.002 0.000 0.203 546 K C 1.349 177.961 176.600 0.019 0.000 1.050 546 K CA 1.095 57.390 56.287 0.013 0.000 0.945 546 K CB -0.153 32.355 32.500 0.012 0.000 0.732 546 K HN 0.446 nan 8.250 nan 0.000 0.451 547 N N 0.168 118.883 118.700 0.026 0.000 2.104 547 N HA -0.130 4.609 4.740 -0.002 0.000 0.190 547 N C 0.718 176.254 175.510 0.043 0.000 1.024 547 N CA 1.537 54.609 53.050 0.037 0.000 0.853 547 N CB 0.217 38.732 38.487 0.047 0.000 1.008 547 N HN 0.309 nan 8.380 nan 0.000 0.424 548 G N -2.584 106.238 108.800 0.037 0.000 2.350 548 G HA2 0.104 4.063 3.960 -0.002 0.000 0.282 548 G HA3 0.104 4.063 3.960 -0.002 0.000 0.282 548 G C -1.818 173.105 174.900 0.038 0.000 1.314 548 G CA -0.351 44.776 45.100 0.045 0.000 0.915 548 G HN 0.010 nan 8.290 nan 0.000 0.499 549 V N 1.277 121.233 119.914 0.070 0.000 2.333 549 V HA 0.418 4.537 4.120 -0.002 0.000 0.274 549 V C 0.237 176.428 176.094 0.162 0.000 1.028 549 V CA -0.534 61.813 62.300 0.078 0.000 0.851 549 V CB 1.069 32.930 31.823 0.064 0.000 1.000 549 V HN 0.567 nan 8.190 nan 0.000 0.456 550 K N 6.237 126.629 120.400 -0.012 0.000 2.285 550 K HA 0.576 4.895 4.320 -0.002 0.000 0.286 550 K C -0.651 175.942 176.600 -0.011 0.000 1.072 550 K CA -0.018 56.178 56.287 -0.151 0.000 0.913 550 K CB 0.658 32.764 32.500 -0.657 0.000 1.067 550 K HN 0.665 nan 8.250 nan 0.000 0.479 551 F N -0.836 119.108 119.950 -0.010 0.000 2.626 551 F HA 0.650 5.175 4.527 -0.002 0.000 0.311 551 F C -0.434 175.513 175.800 0.246 0.000 1.088 551 F CA -0.938 57.096 58.000 0.056 0.000 0.949 551 F CB 1.620 40.633 39.000 0.021 0.000 1.322 551 F HN 0.422 nan 8.300 nan 0.000 0.461 552 T N -0.740 114.035 114.554 0.369 0.000 2.838 552 T HA 0.656 5.004 4.350 -0.002 0.000 0.292 552 T C -1.076 173.981 174.700 0.594 0.000 1.113 552 T CA -0.727 61.590 62.100 0.361 0.000 1.008 552 T CB 1.835 70.774 68.868 0.119 0.000 1.259 552 T HN 1.048 nan 8.240 nan 0.000 0.520 553 N N -0.241 118.773 118.700 0.523 0.000 2.992 553 N HA 0.442 5.180 4.740 -0.002 0.000 0.338 553 N C 0.823 176.424 175.510 0.151 0.000 1.376 553 N CA -0.621 52.627 53.050 0.330 0.000 0.778 553 N CB 0.029 38.642 38.487 0.210 0.000 1.232 553 N HN 0.474 nan 8.380 nan 0.000 0.581 554 S N -1.169 114.564 115.700 0.055 0.000 2.425 554 S HA -0.013 4.456 4.470 -0.002 0.000 0.225 554 S C 1.433 176.058 174.600 0.041 0.000 1.024 554 S CA 0.631 58.852 58.200 0.034 0.000 0.951 554 S CB -0.238 62.958 63.200 -0.006 0.000 0.796 554 S HN 0.627 nan 8.310 nan 0.000 0.498 555 K N 2.178 122.608 120.400 0.051 0.000 2.103 555 K HA 0.173 4.491 4.320 -0.002 0.000 0.204 555 K C 1.844 178.475 176.600 0.051 0.000 1.052 555 K CA 0.840 57.157 56.287 0.049 0.000 0.945 555 K CB -0.574 31.959 32.500 0.055 0.000 0.722 555 K HN 0.340 nan 8.250 nan 0.000 0.443 556 L N 0.543 121.812 121.223 0.077 0.000 2.007 556 L HA -0.156 4.182 4.340 -0.002 0.000 0.205 556 L C 1.959 178.832 176.870 0.005 0.000 1.073 556 L CA 2.123 56.968 54.840 0.009 0.000 0.744 556 L CB -0.963 41.059 42.059 -0.062 0.000 0.898 556 L HN 0.474 nan 8.230 nan 0.000 0.435 557 T N -1.866 112.712 114.554 0.040 0.000 2.594 557 T HA -0.322 4.027 4.350 -0.002 0.000 0.266 557 T C 1.857 176.585 174.700 0.046 0.000 1.070 557 T CA 2.268 64.398 62.100 0.049 0.000 1.166 557 T CB -1.364 67.541 68.868 0.062 0.000 0.862 557 T HN 0.611 nan 8.240 nan 0.000 0.436 558 S N 1.374 117.098 115.700 0.040 0.000 2.436 558 S HA 0.147 4.615 4.470 -0.002 0.000 0.228 558 S C 1.959 176.581 174.600 0.037 0.000 1.014 558 S CA 0.549 58.773 58.200 0.040 0.000 0.950 558 S CB -0.608 62.612 63.200 0.033 0.000 0.784 558 S HN 0.311 nan 8.310 nan 0.000 0.504 559 L N 2.418 123.654 121.223 0.021 0.000 2.217 559 L HA 0.152 4.491 4.340 -0.002 0.000 0.211 559 L C 2.137 179.014 176.870 0.012 0.000 1.107 559 L CA 1.479 56.322 54.840 0.005 0.000 0.783 559 L CB -0.830 41.210 42.059 -0.031 0.000 0.919 559 L HN 0.351 nan 8.230 nan 0.000 0.442 560 N N -0.430 118.280 118.700 0.016 0.000 2.250 560 N HA -0.144 4.594 4.740 -0.002 0.000 0.181 560 N C 1.701 177.294 175.510 0.138 0.000 1.017 560 N CA 1.222 54.310 53.050 0.064 0.000 0.866 560 N CB 0.070 38.597 38.487 0.067 0.000 0.985 560 N HN 0.401 nan 8.380 nan 0.000 0.429 561 E N -0.090 120.169 120.200 0.099 0.000 2.150 561 E HA -0.106 4.243 4.350 -0.002 0.000 0.193 561 E C 0.486 177.143 176.600 0.095 0.000 0.985 561 E CA 0.588 57.044 56.400 0.095 0.000 0.814 561 E CB 0.024 29.764 29.700 0.068 0.000 0.752 561 E HN 0.451 nan 8.360 nan 0.000 0.466 562 E N -0.875 119.382 120.200 0.094 0.000 2.405 562 E HA -0.002 4.346 4.350 -0.002 0.000 0.214 562 E C -0.061 176.608 176.600 0.114 0.000 1.101 562 E CA -0.215 56.232 56.400 0.078 0.000 1.254 562 E CB 0.314 30.044 29.700 0.050 0.000 1.240 562 E HN 0.250 nan 8.360 nan 0.000 0.439 563 Y N -1.452 118.856 120.300 0.014 0.000 2.784 563 Y HA -0.013 4.535 4.550 -0.002 0.000 0.267 563 Y C 2.283 178.208 175.900 0.042 0.000 1.117 563 Y CA 1.042 59.151 58.100 0.014 0.000 1.231 563 Y CB 0.209 38.670 38.460 0.002 0.000 1.441 563 Y HN 0.152 nan 8.280 nan 0.000 0.469 564 T N -1.485 113.215 114.554 0.243 0.000 2.962 564 T HA -0.060 4.289 4.350 -0.002 0.000 0.270 564 T C 1.487 176.221 174.700 0.057 0.000 1.088 564 T CA 1.356 63.549 62.100 0.156 0.000 1.127 564 T CB -0.201 68.764 68.868 0.162 0.000 0.883 564 T HN 0.235 nan 8.240 nan 0.000 0.493 565 K N 1.062 121.487 120.400 0.042 0.000 2.155 565 K HA 0.075 4.394 4.320 -0.002 0.000 0.203 565 K C 1.914 178.509 176.600 -0.008 0.000 1.052 565 K CA 1.117 57.416 56.287 0.020 0.000 0.948 565 K CB -0.109 32.405 32.500 0.024 0.000 0.728 565 K HN 0.270 nan 8.250 nan 0.000 0.448 566 N N 0.880 119.545 118.700 -0.057 0.000 2.354 566 N HA -0.051 4.687 4.740 -0.002 0.000 0.179 566 N C 1.179 176.641 175.510 -0.080 0.000 1.021 566 N CA 0.831 53.828 53.050 -0.089 0.000 0.887 566 N CB 0.151 38.533 38.487 -0.175 0.000 0.974 566 N HN 0.099 nan 8.380 nan 0.000 0.437 567 K N -0.095 120.239 120.400 -0.109 0.000 2.025 567 K HA -0.064 4.255 4.320 -0.002 0.000 0.207 567 K C 1.902 178.526 176.600 0.040 0.000 1.049 567 K CA 1.684 57.941 56.287 -0.051 0.000 0.933 567 K CB -0.252 32.239 32.500 -0.017 0.000 0.714 567 K HN 0.395 nan 8.250 nan 0.000 0.438 568 T N -0.877 113.696 114.554 0.031 0.000 2.867 568 T HA -0.100 4.249 4.350 -0.002 0.000 0.268 568 T C 1.653 176.379 174.700 0.044 0.000 1.057 568 T CA 1.025 63.148 62.100 0.039 0.000 1.136 568 T CB -0.116 68.769 68.868 0.028 0.000 0.874 568 T HN 0.248 nan 8.240 nan 0.000 0.466 569 E N -0.271 119.955 120.200 0.044 0.000 2.107 569 E HA -0.025 4.324 4.350 -0.002 0.000 0.191 569 E C 1.827 178.460 176.600 0.056 0.000 0.982 569 E CA 0.752 57.174 56.400 0.037 0.000 0.809 569 E CB -0.221 29.495 29.700 0.025 0.000 0.756 569 E HN 0.642 nan 8.360 nan 0.000 0.459 570 Y N 1.888 122.167 120.300 -0.036 0.000 2.200 570 Y HA -0.160 4.388 4.550 -0.002 0.000 0.290 570 Y C 2.012 177.904 175.900 -0.012 0.000 1.137 570 Y CA 1.566 59.649 58.100 -0.028 0.000 1.163 570 Y CB 0.261 38.694 38.460 -0.046 0.000 0.988 570 Y HN -0.027 nan 8.280 nan 0.000 0.518 571 E N -0.078 120.237 120.200 0.192 0.000 2.072 571 E HA -0.236 4.113 4.350 -0.002 0.000 0.191 571 E C 1.950 178.573 176.600 0.039 0.000 0.985 571 E CA 1.356 57.826 56.400 0.118 0.000 0.801 571 E CB -0.170 29.588 29.700 0.098 0.000 0.750 571 E HN 0.728 nan 8.360 nan 0.000 0.452 572 E N 0.590 120.804 120.200 0.024 0.000 2.347 572 E HA -0.071 4.277 4.350 -0.002 0.000 0.196 572 E C 1.761 178.349 176.600 -0.019 0.000 1.008 572 E CA 0.832 57.234 56.400 0.004 0.000 0.852 572 E CB 0.087 29.791 29.700 0.006 0.000 0.783 572 E HN 0.161 nan 8.360 nan 0.000 0.505 573 A N 1.156 123.945 122.820 -0.051 0.000 1.887 573 A HA -0.056 4.262 4.320 -0.002 0.000 0.212 573 A C 2.199 179.724 177.584 -0.097 0.000 1.198 573 A CA 0.714 52.697 52.037 -0.089 0.000 0.628 573 A CB -0.226 18.683 19.000 -0.152 0.000 0.847 573 A HN 0.171 nan 8.150 nan 0.000 0.449 574 Q N 0.304 120.028 119.800 -0.126 0.000 1.975 574 Q HA -0.245 4.094 4.340 -0.002 0.000 0.205 574 Q C 1.697 177.682 176.000 -0.025 0.000 0.990 574 Q CA 1.867 57.618 55.803 -0.086 0.000 0.845 574 Q CB -0.385 28.326 28.738 -0.046 0.000 0.913 574 Q HN 0.854 nan 8.270 nan 0.000 0.420 575 D N -0.146 120.252 120.400 -0.005 0.000 2.309 575 D HA -0.117 4.522 4.640 -0.002 0.000 0.212 575 D C 1.440 177.742 176.300 0.004 0.000 0.968 575 D CA 1.199 55.202 54.000 0.006 0.000 0.882 575 D CB -0.222 40.585 40.800 0.011 0.000 0.918 575 D HN 0.236 nan 8.370 nan 0.000 0.503 576 A N 0.617 123.435 122.820 -0.003 0.000 1.929 576 A HA 0.046 4.365 4.320 -0.002 0.000 0.216 576 A C 2.402 179.993 177.584 0.011 0.000 1.176 576 A CA 0.790 52.828 52.037 0.002 0.000 0.628 576 A CB -0.595 18.402 19.000 -0.006 0.000 0.816 576 A HN 0.271 nan 8.150 nan 0.000 0.444 577 I N -0.486 120.089 120.570 0.008 0.000 2.286 577 I HA -0.166 4.003 4.170 -0.002 0.000 0.245 577 I C 2.274 178.410 176.117 0.031 0.000 1.104 577 I CA 0.802 62.119 61.300 0.028 0.000 1.397 577 I CB -0.275 37.746 38.000 0.035 0.000 1.072 577 I HN 0.120 nan 8.210 nan 0.000 0.417 578 V N 1.116 121.042 119.914 0.019 0.000 2.332 578 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 578 V C 2.425 178.544 176.094 0.042 0.000 1.055 578 V CA 1.827 64.142 62.300 0.026 0.000 1.038 578 V CB -0.703 31.131 31.823 0.018 0.000 0.651 578 V HN 0.389 nan 8.190 nan 0.000 0.450 579 K N -0.337 120.084 120.400 0.034 0.000 2.103 579 K HA -0.259 4.060 4.320 -0.002 0.000 0.207 579 K C 2.223 178.858 176.600 0.058 0.000 1.048 579 K CA 1.868 58.178 56.287 0.039 0.000 0.930 579 K CB -0.136 32.379 32.500 0.025 0.000 0.716 579 K HN 0.564 nan 8.250 nan 0.000 0.444 580 E N 0.812 121.046 120.200 0.058 0.000 2.158 580 E HA -0.091 4.258 4.350 -0.002 0.000 0.191 580 E C 1.915 178.572 176.600 0.095 0.000 0.982 580 E CA 0.430 56.872 56.400 0.070 0.000 0.823 580 E CB 0.123 29.860 29.700 0.061 0.000 0.766 580 E HN 0.235 nan 8.360 nan 0.000 0.468 581 I N 0.580 121.204 120.570 0.090 0.000 2.286 581 I HA -0.243 3.926 4.170 -0.002 0.000 0.248 581 I C 2.245 178.474 176.117 0.186 0.000 1.115 581 I CA 0.625 61.989 61.300 0.108 0.000 1.392 581 I CB -0.078 37.956 38.000 0.055 0.000 1.065 581 I HN 0.061 nan 8.210 nan 0.000 0.418 582 V N 1.055 121.081 119.914 0.186 0.000 2.427 582 V HA -0.228 3.891 4.120 -0.002 0.000 0.248 582 V C 2.079 178.352 176.094 0.299 0.000 1.051 582 V CA 1.789 64.261 62.300 0.286 0.000 1.048 582 V CB -0.763 31.153 31.823 0.155 0.000 0.666 582 V HN 0.435 nan 8.190 nan 0.000 0.456 583 N N 0.184 118.995 118.700 0.184 0.000 2.171 583 N HA 0.008 4.747 4.740 -0.002 0.000 0.184 583 N C 1.730 177.323 175.510 0.138 0.000 1.021 583 N CA 1.272 54.409 53.050 0.145 0.000 0.854 583 N CB -0.279 38.262 38.487 0.091 0.000 0.994 583 N HN 0.415 nan 8.380 nan 0.000 0.426 584 I N 0.708 121.371 120.570 0.154 0.000 2.315 584 I HA -0.223 3.946 4.170 -0.002 0.000 0.248 584 I C 2.026 178.308 176.117 0.274 0.000 1.117 584 I CA 1.053 62.456 61.300 0.172 0.000 1.404 584 I CB -0.280 37.827 38.000 0.179 0.000 1.071 584 I HN 0.159 nan 8.210 nan 0.000 0.419 585 S N 0.010 115.887 115.700 0.296 0.000 2.436 585 S HA -0.102 4.367 4.470 -0.002 0.000 0.228 585 S C 1.924 176.505 174.600 -0.032 0.000 1.014 585 S CA 0.801 59.154 58.200 0.255 0.000 0.950 585 S CB -0.569 62.767 63.200 0.226 0.000 0.784 585 S HN 0.516 nan 8.310 nan 0.000 0.504 586 S N 0.781 116.517 115.700 0.060 0.000 2.607 586 S HA 0.253 4.722 4.470 -0.002 0.000 0.224 586 S C 1.579 176.187 174.600 0.013 0.000 0.969 586 S CA 0.236 58.471 58.200 0.057 0.000 0.927 586 S CB -0.486 62.846 63.200 0.219 0.000 0.772 586 S HN 0.601 nan 8.310 nan 0.000 0.533 587 G N -0.405 108.391 108.800 -0.007 0.000 2.939 587 G HA2 0.143 4.102 3.960 -0.002 0.000 0.210 587 G HA3 0.143 4.102 3.960 -0.002 0.000 0.210 587 G C 0.308 175.031 174.900 -0.294 0.000 1.160 587 G CA -0.162 44.852 45.100 -0.143 0.000 0.770 587 G HN 0.606 nan 8.290 nan 0.000 0.543 588 Y N 0.372 120.598 120.300 -0.124 0.000 2.708 588 Y HA 0.296 4.845 4.550 -0.002 0.000 0.287 588 Y C 1.856 177.683 175.900 -0.122 0.000 1.145 588 Y CA -0.510 57.493 58.100 -0.162 0.000 1.249 588 Y CB 0.641 39.008 38.460 -0.156 0.000 1.152 588 Y HN -0.005 nan 8.280 nan 0.000 0.532 589 V N -0.275 119.631 119.914 -0.013 0.000 2.307 589 V HA -0.257 3.862 4.120 -0.002 0.000 0.245 589 V C 1.906 178.002 176.094 0.003 0.000 1.045 589 V CA 2.022 64.318 62.300 -0.006 0.000 1.024 589 V CB -0.159 31.660 31.823 -0.007 0.000 0.651 589 V HN 0.483 nan 8.190 nan 0.000 0.449 590 E N 0.467 120.652 120.200 -0.026 0.000 2.038 590 E HA -0.182 4.166 4.350 -0.002 0.000 0.195 590 E C -0.406 176.194 176.600 -0.000 0.000 1.000 590 E CA 1.761 58.145 56.400 -0.026 0.000 0.803 590 E CB -1.134 28.535 29.700 -0.052 0.000 0.750 590 E HN 0.563 nan 8.360 nan 0.000 0.448 591 P HA -0.097 nan 4.420 nan 0.000 0.234 591 P C 1.143 178.599 177.300 0.260 0.000 1.167 591 P CA 0.942 64.068 63.100 0.043 0.000 0.763 591 P CB 0.039 31.598 31.700 -0.235 0.000 0.835 592 M N -0.091 119.641 119.600 0.220 0.000 2.077 592 M HA -0.107 4.372 4.480 -0.002 0.000 0.261 592 M C 2.208 178.543 176.300 0.057 0.000 1.070 592 M CA 1.802 57.181 55.300 0.132 0.000 1.125 592 M CB -1.520 31.107 32.600 0.045 0.000 1.339 592 M HN 0.087 nan 8.290 nan 0.000 0.409 593 Q N -0.331 119.492 119.800 0.040 0.000 2.224 593 Q HA -0.109 4.229 4.340 -0.002 0.000 0.203 593 Q C 2.017 178.026 176.000 0.014 0.000 0.970 593 Q CA 1.934 57.747 55.803 0.017 0.000 0.865 593 Q CB -0.269 28.474 28.738 0.008 0.000 0.922 593 Q HN 0.699 nan 8.270 nan 0.000 0.445 594 T N -0.807 113.762 114.554 0.025 0.000 2.857 594 T HA -0.090 4.258 4.350 -0.002 0.000 0.266 594 T C 1.771 176.475 174.700 0.007 0.000 1.048 594 T CA 0.584 62.692 62.100 0.014 0.000 1.139 594 T CB -0.157 68.719 68.868 0.012 0.000 0.874 594 T HN 0.125 nan 8.240 nan 0.000 0.455 595 L N 2.043 123.286 121.223 0.033 0.000 2.156 595 L HA 0.212 4.551 4.340 -0.002 0.000 0.208 595 L C 2.176 179.008 176.870 -0.064 0.000 1.095 595 L CA 1.644 56.482 54.840 -0.004 0.000 0.770 595 L CB -1.244 40.832 42.059 0.029 0.000 0.914 595 L HN 0.280 nan 8.230 nan 0.000 0.439 596 N N -0.396 118.278 118.700 -0.043 0.000 2.084 596 N HA -0.206 4.532 4.740 -0.002 0.000 0.190 596 N C 1.498 176.975 175.510 -0.055 0.000 1.030 596 N CA 1.775 54.792 53.050 -0.055 0.000 0.849 596 N CB -0.100 38.371 38.487 -0.027 0.000 1.012 596 N HN 0.339 nan 8.380 nan 0.000 0.423 597 D N -0.635 119.746 120.400 -0.032 0.000 2.144 597 D HA -0.087 4.552 4.640 -0.002 0.000 0.199 597 D C 1.989 178.270 176.300 -0.032 0.000 0.984 597 D CA 0.609 54.596 54.000 -0.022 0.000 0.834 597 D CB -0.286 40.515 40.800 0.001 0.000 0.955 597 D HN 0.123 nan 8.370 nan 0.000 0.465 598 V N 0.918 120.799 119.914 -0.055 0.000 2.283 598 V HA -0.176 3.943 4.120 -0.002 0.000 0.243 598 V C 2.652 178.726 176.094 -0.033 0.000 1.039 598 V CA 1.026 63.279 62.300 -0.079 0.000 1.016 598 V CB -0.470 31.291 31.823 -0.103 0.000 0.650 598 V HN 0.174 nan 8.190 nan 0.000 0.449 599 L N 0.214 121.375 121.223 -0.103 0.000 2.079 599 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 599 L C 2.675 179.484 176.870 -0.101 0.000 1.081 599 L CA 1.590 56.327 54.840 -0.173 0.000 0.752 599 L CB -0.763 41.073 42.059 -0.371 0.000 0.896 599 L HN 0.386 nan 8.230 nan 0.000 0.433 600 A N -0.636 122.135 122.820 -0.080 0.000 1.930 600 A HA -0.221 4.097 4.320 -0.002 0.000 0.217 600 A C 2.223 179.776 177.584 -0.051 0.000 1.175 600 A CA 1.358 53.346 52.037 -0.083 0.000 0.627 600 A CB -0.336 18.608 19.000 -0.094 0.000 0.815 600 A HN 0.471 nan 8.150 nan 0.000 0.443 601 Q N -0.849 118.982 119.800 0.052 0.000 2.079 601 Q HA -0.049 4.289 4.340 -0.002 0.000 0.200 601 Q C 2.150 178.339 176.000 0.315 0.000 0.974 601 Q CA 1.370 57.303 55.803 0.217 0.000 0.840 601 Q CB -0.258 28.658 28.738 0.296 0.000 0.898 601 Q HN 0.699 nan 8.270 nan 0.000 0.430 602 L N 0.755 122.180 121.223 0.338 0.000 2.093 602 L HA -0.209 4.130 4.340 -0.002 0.000 0.208 602 L C 2.027 178.852 176.870 -0.074 0.000 1.085 602 L CA 1.382 56.308 54.840 0.144 0.000 0.755 602 L CB -0.150 42.013 42.059 0.173 0.000 0.904 602 L HN 0.218 nan 8.230 nan 0.000 0.435 603 D N -0.180 120.184 120.400 -0.060 0.000 2.097 603 D HA -0.200 4.438 4.640 -0.002 0.000 0.195 603 D C 2.112 178.366 176.300 -0.076 0.000 0.989 603 D CA 1.524 55.464 54.000 -0.101 0.000 0.827 603 D CB 0.040 40.784 40.800 -0.094 0.000 0.966 603 D HN 0.431 nan 8.370 nan 0.000 0.456 604 A N 0.299 123.102 122.820 -0.029 0.000 1.849 604 A HA -0.182 4.137 4.320 -0.002 0.000 0.217 604 A C 2.685 180.480 177.584 0.351 0.000 1.202 604 A CA 2.294 54.383 52.037 0.087 0.000 0.629 604 A CB -1.210 17.728 19.000 -0.104 0.000 0.834 604 A HN 0.183 nan 8.150 nan 0.000 0.447 605 V N -0.335 119.762 119.914 0.305 0.000 2.277 605 V HA -0.322 3.797 4.120 -0.002 0.000 0.253 605 V C 2.591 178.708 176.094 0.039 0.000 1.067 605 V CA 2.348 64.780 62.300 0.220 0.000 1.047 605 V CB -0.913 30.951 31.823 0.067 0.000 0.649 605 V HN 0.392 nan 8.190 nan 0.000 0.447 606 V N 0.700 120.468 119.914 -0.243 0.000 2.407 606 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 606 V C 2.651 178.668 176.094 -0.128 0.000 1.055 606 V CA 2.317 64.384 62.300 -0.389 0.000 1.049 606 V CB -0.698 30.806 31.823 -0.532 0.000 0.662 606 V HN 0.816 nan 8.190 nan 0.000 0.455 607 S N -0.328 115.334 115.700 -0.065 0.000 2.371 607 S HA -0.159 4.309 4.470 -0.002 0.000 0.224 607 S C 1.934 176.493 174.600 -0.067 0.000 1.029 607 S CA 1.244 59.397 58.200 -0.080 0.000 0.978 607 S CB -0.823 62.275 63.200 -0.168 0.000 0.833 607 S HN 0.451 nan 8.310 nan 0.000 0.466 608 F N 2.676 122.614 119.950 -0.021 0.000 2.161 608 F HA 0.011 4.537 4.527 -0.002 0.000 0.300 608 F C 2.877 178.619 175.800 -0.098 0.000 1.089 608 F CA 1.006 58.999 58.000 -0.011 0.000 1.282 608 F CB -0.720 38.324 39.000 0.073 0.000 1.010 608 F HN 0.344 nan 8.300 nan 0.000 0.485 609 A N -1.032 121.833 122.820 0.076 0.000 1.897 609 A HA -0.222 4.097 4.320 -0.002 0.000 0.215 609 A C 1.921 179.452 177.584 -0.089 0.000 1.181 609 A CA 1.840 53.837 52.037 -0.067 0.000 0.620 609 A CB -1.064 17.939 19.000 0.005 0.000 0.821 609 A HN 0.502 nan 8.150 nan 0.000 0.443 610 H N -0.207 118.784 119.070 -0.131 0.000 2.299 610 H HA -0.073 4.481 4.556 -0.002 0.000 0.302 610 H C 1.829 177.049 175.328 -0.181 0.000 1.078 610 H CA 2.097 58.060 56.048 -0.140 0.000 1.323 610 H CB -0.317 29.367 29.762 -0.130 0.000 1.381 610 H HN 0.084 nan 8.280 nan 0.000 0.498 611 V N 0.675 120.409 119.914 -0.300 0.000 2.282 611 V HA -0.315 3.804 4.120 -0.002 0.000 0.249 611 V C 2.654 178.414 176.094 -0.556 0.000 1.057 611 V CA 2.169 64.228 62.300 -0.400 0.000 1.032 611 V CB -0.959 30.691 31.823 -0.287 0.000 0.645 611 V HN 0.748 nan 8.190 nan 0.000 0.447 612 S N 0.665 116.031 115.700 -0.557 0.000 2.419 612 S HA -0.217 4.252 4.470 -0.002 0.000 0.235 612 S C 1.643 175.964 174.600 -0.466 0.000 1.019 612 S CA 1.772 59.523 58.200 -0.748 0.000 0.982 612 S CB -0.616 62.347 63.200 -0.395 0.000 0.789 612 S HN 0.642 nan 8.310 nan 0.000 0.490 613 N N 2.109 120.598 118.700 -0.353 0.000 2.251 613 N HA 0.133 4.871 4.740 -0.002 0.000 0.181 613 N C 1.796 177.167 175.510 -0.231 0.000 1.019 613 N CA 1.166 54.076 53.050 -0.234 0.000 0.862 613 N CB -0.925 37.447 38.487 -0.191 0.000 0.992 613 N HN 0.551 nan 8.380 nan 0.000 0.429 614 G N -0.400 108.197 108.800 -0.338 0.000 2.679 614 G HA2 0.143 4.101 3.960 -0.002 0.000 0.212 614 G HA3 0.143 4.101 3.960 -0.002 0.000 0.212 614 G C 0.327 175.120 174.900 -0.179 0.000 1.137 614 G CA 0.376 45.316 45.100 -0.267 0.000 0.787 614 G HN 0.441 nan 8.290 nan 0.000 0.534 615 A N 1.110 123.818 122.820 -0.187 0.000 2.388 615 A HA 0.564 4.882 4.320 -0.002 0.000 0.257 615 A C -2.002 175.586 177.584 0.007 0.000 1.095 615 A CA -1.340 50.659 52.037 -0.063 0.000 0.791 615 A CB 0.471 19.484 19.000 0.021 0.000 1.029 615 A HN 0.114 nan 8.150 nan 0.000 0.489 616 P HA 0.247 nan 4.420 nan 0.000 0.267 616 P C -0.608 176.728 177.300 0.060 0.000 1.328 616 P CA 0.498 63.620 63.100 0.036 0.000 0.990 616 P CB -0.002 31.722 31.700 0.040 0.000 1.168 617 V N 3.651 123.599 119.914 0.056 0.000 3.444 617 V HA -0.143 3.976 4.120 -0.002 0.000 0.446 617 V C -2.182 173.985 176.094 0.123 0.000 0.680 617 V CA -0.843 61.500 62.300 0.071 0.000 1.936 617 V CB -1.507 30.355 31.823 0.064 0.000 2.391 617 V HN 0.491 nan 8.190 nan 0.000 0.491 618 P HA 0.032 nan 4.420 nan 0.000 0.268 618 P C 0.050 177.548 177.300 0.329 0.000 1.189 618 P CA 0.439 63.635 63.100 0.161 0.000 0.771 618 P CB 0.395 32.146 31.700 0.085 0.000 0.822 619 Y N -0.379 119.976 120.300 0.093 0.000 2.314 619 Y HA 0.328 4.877 4.550 -0.002 0.000 0.334 619 Y C 0.850 176.940 175.900 0.316 0.000 1.266 619 Y CA -0.903 57.298 58.100 0.168 0.000 1.391 619 Y CB 0.703 39.291 38.460 0.215 0.000 1.306 619 Y HN 0.013 nan 8.280 nan 0.000 0.558 620 V N 2.437 122.524 119.914 0.288 0.000 2.823 620 V HA 0.339 4.458 4.120 -0.002 0.000 0.312 620 V C -0.493 175.321 176.094 -0.466 0.000 1.072 620 V CA -1.317 61.009 62.300 0.044 0.000 0.937 620 V CB 1.991 33.812 31.823 -0.003 0.000 1.013 620 V HN 0.758 nan 8.190 nan 0.000 0.430 621 R N 3.631 123.510 120.500 -1.035 0.000 2.491 621 R HA 0.465 4.803 4.340 -0.002 0.000 0.283 621 R C -2.634 173.393 176.300 -0.456 0.000 1.072 621 R CA -0.973 54.475 56.100 -1.087 0.000 1.048 621 R CB 0.317 29.982 30.300 -1.059 0.000 0.983 621 R HN 0.425 nan 8.270 nan 0.000 0.450 622 P HA 0.238 nan 4.420 nan 0.000 0.285 622 P C -1.230 175.972 177.300 -0.162 0.000 1.269 622 P CA -0.863 62.112 63.100 -0.207 0.000 0.844 622 P CB 1.503 33.098 31.700 -0.175 0.000 1.094 623 A N 2.299 125.045 122.820 -0.124 0.000 2.320 623 A HA 0.515 4.834 4.320 -0.002 0.000 0.287 623 A C 0.033 177.561 177.584 -0.093 0.000 1.181 623 A CA -0.571 51.408 52.037 -0.096 0.000 0.831 623 A CB -0.615 18.339 19.000 -0.077 0.000 1.102 623 A HN 0.464 nan 8.150 nan 0.000 0.513 624 I N 4.270 124.790 120.570 -0.084 0.000 2.330 624 I HA 0.238 4.407 4.170 -0.002 0.000 0.286 624 I C -0.191 175.889 176.117 -0.062 0.000 1.025 624 I CA -0.032 61.221 61.300 -0.079 0.000 1.197 624 I CB 0.811 38.761 38.000 -0.083 0.000 1.358 624 I HN 0.551 nan 8.210 nan 0.000 0.467 625 L N 4.630 125.818 121.223 -0.058 0.000 2.448 625 L HA 0.397 4.736 4.340 -0.002 0.000 0.258 625 L C 0.875 177.724 176.870 -0.035 0.000 1.104 625 L CA -0.986 53.830 54.840 -0.040 0.000 0.800 625 L CB 0.443 42.483 42.059 -0.031 0.000 1.241 625 L HN 0.472 nan 8.230 nan 0.000 0.472 626 E N 0.822 121.008 120.200 -0.024 0.000 2.425 626 E HA -0.037 4.312 4.350 -0.002 0.000 0.258 626 E C -0.323 176.268 176.600 -0.014 0.000 1.151 626 E CA -0.037 56.350 56.400 -0.021 0.000 0.958 626 E CB 0.377 30.067 29.700 -0.017 0.000 0.968 626 E HN 0.285 nan 8.360 nan 0.000 0.451 627 K N 0.583 120.972 120.400 -0.018 0.000 2.430 627 K HA 0.000 4.319 4.320 -0.002 0.000 0.280 627 K C 0.376 176.980 176.600 0.007 0.000 1.063 627 K CA 0.859 57.140 56.287 -0.011 0.000 1.071 627 K CB -0.346 32.139 32.500 -0.023 0.000 0.899 627 K HN 0.689 nan 8.250 nan 0.000 0.473 628 G N 3.807 112.631 108.800 0.041 0.000 2.372 628 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.297 628 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.297 628 G C 0.333 175.260 174.900 0.045 0.000 1.005 628 G CA 0.761 45.901 45.100 0.068 0.000 1.173 628 G HN 0.861 nan 8.290 nan 0.000 0.511 629 Q N -0.281 119.556 119.800 0.062 0.000 2.398 629 Q HA 0.348 4.686 4.340 -0.002 0.000 0.204 629 Q C 1.875 177.918 176.000 0.072 0.000 0.932 629 Q CA 1.105 56.933 55.803 0.041 0.000 0.916 629 Q CB -0.021 28.731 28.738 0.023 0.000 1.024 629 Q HN 1.833 nan 8.270 nan 0.000 0.504 630 G N 1.359 110.264 108.800 0.175 0.000 2.207 630 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.216 630 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.216 630 G C -0.391 174.682 174.900 0.288 0.000 1.053 630 G CA 0.155 45.417 45.100 0.270 0.000 0.764 630 G HN 0.274 nan 8.290 nan 0.000 0.495 631 R N -0.092 120.529 120.500 0.201 0.000 2.518 631 R HA 0.658 4.997 4.340 -0.002 0.000 0.296 631 R C -0.862 175.396 176.300 -0.070 0.000 1.080 631 R CA -0.959 55.175 56.100 0.057 0.000 0.922 631 R CB 0.789 31.087 30.300 -0.004 0.000 1.184 631 R HN 0.191 nan 8.270 nan 0.000 0.445 632 I N 7.187 127.704 120.570 -0.089 0.000 2.563 632 I HA 0.330 4.499 4.170 -0.002 0.000 0.276 632 I C -0.631 175.449 176.117 -0.061 0.000 1.074 632 I CA -0.480 60.734 61.300 -0.142 0.000 1.124 632 I CB 1.486 39.293 38.000 -0.321 0.000 1.225 632 I HN 0.486 nan 8.210 nan 0.000 0.482 633 I N 6.869 127.377 120.570 -0.104 0.000 2.355 633 I HA 0.423 4.592 4.170 -0.002 0.000 0.288 633 I C -0.593 175.496 176.117 -0.047 0.000 0.999 633 I CA -0.498 60.747 61.300 -0.092 0.000 1.163 633 I CB 1.351 39.281 38.000 -0.117 0.000 1.316 633 I HN 0.316 nan 8.210 nan 0.000 0.454 634 L N 6.828 128.044 121.223 -0.012 0.000 2.343 634 L HA 0.526 4.865 4.340 -0.002 0.000 0.278 634 L C -0.355 176.525 176.870 0.017 0.000 0.996 634 L CA -0.607 54.222 54.840 -0.018 0.000 0.831 634 L CB 1.674 43.714 42.059 -0.031 0.000 1.232 634 L HN 0.512 nan 8.230 nan 0.000 0.413 635 K N 2.674 123.079 120.400 0.009 0.000 2.206 635 K HA 0.668 4.986 4.320 -0.002 0.000 0.264 635 K C 0.302 176.915 176.600 0.022 0.000 0.967 635 K CA -0.233 56.071 56.287 0.028 0.000 0.844 635 K CB 1.664 34.180 32.500 0.026 0.000 1.099 635 K HN 0.722 nan 8.250 nan 0.000 0.441 636 A N 2.171 125.017 122.820 0.042 0.000 2.578 636 A HA -0.154 4.165 4.320 -0.002 0.000 0.298 636 A C 0.031 177.640 177.584 0.040 0.000 1.472 636 A CA 0.907 52.974 52.037 0.050 0.000 0.734 636 A CB -2.350 16.673 19.000 0.039 0.000 1.091 636 A HN 0.715 nan 8.150 nan 0.000 0.426 637 S N -0.204 115.531 115.700 0.059 0.000 2.610 637 S HA 0.835 5.304 4.470 -0.002 0.000 0.273 637 S C 0.067 174.703 174.600 0.060 0.000 1.274 637 S CA -0.374 57.837 58.200 0.018 0.000 1.023 637 S CB 1.475 64.683 63.200 0.014 0.000 0.962 637 S HN 0.809 nan 8.310 nan 0.000 0.523 638 R N 0.384 120.813 120.500 -0.117 0.000 2.698 638 R HA 0.326 4.664 4.340 -0.002 0.000 0.275 638 R C -1.046 174.960 176.300 -0.490 0.000 1.001 638 R CA -0.775 55.088 56.100 -0.395 0.000 0.896 638 R CB 1.130 31.123 30.300 -0.512 0.000 1.218 638 R HN 0.807 nan 8.270 nan 0.000 0.462 639 H N 1.999 120.583 119.070 -0.811 0.000 2.944 639 H HA 0.098 4.653 4.556 -0.002 0.000 0.278 639 H C 0.773 175.844 175.328 -0.428 0.000 1.083 639 H CA 0.439 56.239 56.048 -0.413 0.000 1.479 639 H CB 1.249 30.912 29.762 -0.165 0.000 1.486 639 H HN 0.868 nan 8.280 nan 0.000 0.493 640 A N 4.180 126.757 122.820 -0.405 0.000 2.042 640 A HA -0.217 4.102 4.320 -0.002 0.000 0.222 640 A C 2.328 179.886 177.584 -0.044 0.000 1.167 640 A CA 1.850 53.764 52.037 -0.204 0.000 0.649 640 A CB -0.553 18.352 19.000 -0.158 0.000 0.809 640 A HN 0.777 nan 8.150 nan 0.000 0.457 641 C N -2.483 116.866 119.300 0.082 0.000 2.520 641 C HA 0.109 4.568 4.460 -0.002 0.000 0.291 641 C C 2.587 177.661 174.990 0.141 0.000 1.364 641 C CA 0.542 59.650 59.018 0.150 0.000 1.781 641 C CB -0.804 27.049 27.740 0.188 0.000 2.171 641 C HN 0.419 nan 8.230 nan 0.000 0.516 642 V N 1.602 121.640 119.914 0.206 0.000 2.568 642 V HA -0.236 3.882 4.120 -0.002 0.000 0.253 642 V C 2.438 178.600 176.094 0.114 0.000 1.072 642 V CA 2.129 64.469 62.300 0.068 0.000 1.084 642 V CB -0.842 30.980 31.823 -0.001 0.000 0.676 642 V HN 0.641 nan 8.190 nan 0.000 0.469 643 E N -0.018 120.175 120.200 -0.012 0.000 2.160 643 E HA -0.201 4.147 4.350 -0.002 0.000 0.195 643 E C 2.068 178.691 176.600 0.039 0.000 0.991 643 E CA 1.713 58.088 56.400 -0.042 0.000 0.810 643 E CB 0.083 29.653 29.700 -0.216 0.000 0.742 643 E HN 0.503 nan 8.360 nan 0.000 0.466 644 V N 0.599 120.529 119.914 0.027 0.000 2.492 644 V HA -0.116 4.003 4.120 -0.002 0.000 0.241 644 V C 1.219 177.329 176.094 0.026 0.000 1.041 644 V CA 0.612 62.926 62.300 0.023 0.000 1.057 644 V CB -0.366 31.462 31.823 0.010 0.000 0.711 644 V HN 0.343 nan 8.190 nan 0.000 0.468 645 Q N 1.394 121.211 119.800 0.028 0.000 3.130 645 Q HA -0.227 4.112 4.340 -0.002 0.000 0.382 645 Q C 0.806 176.816 176.000 0.016 0.000 1.060 645 Q CA 1.073 56.887 55.803 0.019 0.000 1.211 645 Q CB -0.229 28.519 28.738 0.016 0.000 1.041 645 Q HN 0.580 nan 8.270 nan 0.000 0.440 646 D N 3.181 123.587 120.400 0.010 0.000 3.584 646 D HA -0.309 4.329 4.640 -0.002 0.000 0.153 646 D C -0.859 175.448 176.300 0.011 0.000 0.949 646 D CA 2.323 56.328 54.000 0.008 0.000 1.011 646 D CB -0.309 40.494 40.800 0.004 0.000 0.476 646 D HN 0.812 nan 8.370 nan 0.000 0.460 647 E N -0.169 120.038 120.200 0.010 0.000 3.568 647 E HA 0.436 4.785 4.350 -0.002 0.000 0.213 647 E C -0.792 175.816 176.600 0.012 0.000 1.197 647 E CA -0.156 56.252 56.400 0.013 0.000 1.126 647 E CB 0.460 30.167 29.700 0.011 0.000 1.285 647 E HN 0.242 nan 8.360 nan 0.000 0.418 648 I N 1.521 122.101 120.570 0.017 0.000 2.362 648 I HA 0.380 4.548 4.170 -0.002 0.000 0.289 648 I C 0.170 176.307 176.117 0.033 0.000 0.994 648 I CA -0.908 60.395 61.300 0.005 0.000 1.158 648 I CB 1.691 39.684 38.000 -0.012 0.000 1.315 648 I HN 0.255 nan 8.210 nan 0.000 0.451 649 A N 7.119 129.949 122.820 0.016 0.000 2.527 649 A HA 0.289 4.608 4.320 -0.002 0.000 0.313 649 A C -0.469 177.135 177.584 0.032 0.000 1.410 649 A CA -0.197 51.865 52.037 0.042 0.000 1.060 649 A CB -0.419 18.600 19.000 0.031 0.000 1.137 649 A HN 0.620 nan 8.150 nan 0.000 0.542 650 F N 3.135 123.060 119.950 -0.040 0.000 2.543 650 F HA 0.303 4.829 4.527 -0.002 0.000 0.375 650 F C 0.299 176.086 175.800 -0.021 0.000 1.075 650 F CA 0.056 58.023 58.000 -0.056 0.000 1.225 650 F CB 0.361 39.342 39.000 -0.033 0.000 1.099 650 F HN 0.456 nan 8.300 nan 0.000 0.561 651 I N 8.855 129.239 120.570 -0.310 0.000 2.297 651 I HA 0.218 4.387 4.170 -0.002 0.000 0.291 651 I C -2.043 174.083 176.117 0.016 0.000 1.033 651 I CA -2.046 59.198 61.300 -0.093 0.000 1.253 651 I CB 0.714 38.660 38.000 -0.089 0.000 1.396 651 I HN 0.431 nan 8.210 nan 0.000 0.476 652 P HA 0.115 nan 4.420 nan 0.000 0.269 652 P C -0.875 176.510 177.300 0.142 0.000 1.217 652 P CA -0.045 63.193 63.100 0.229 0.000 0.783 652 P CB 0.557 32.344 31.700 0.146 0.000 0.898 653 N N 0.539 119.343 118.700 0.173 0.000 2.610 653 N HA 0.295 5.034 4.740 -0.002 0.000 0.264 653 N C -1.505 174.098 175.510 0.155 0.000 1.348 653 N CA -0.475 52.654 53.050 0.131 0.000 0.819 653 N CB 1.527 40.096 38.487 0.138 0.000 1.521 653 N HN 0.289 nan 8.380 nan 0.000 0.497 654 D N 0.344 120.817 120.400 0.123 0.000 2.198 654 D HA 0.500 5.139 4.640 -0.002 0.000 0.247 654 D C -0.481 175.923 176.300 0.174 0.000 1.010 654 D CA -0.174 53.899 54.000 0.121 0.000 0.880 654 D CB 2.144 42.989 40.800 0.076 0.000 1.209 654 D HN 0.012 nan 8.370 nan 0.000 0.451 655 V N 2.262 122.245 119.914 0.116 0.000 2.540 655 V HA 0.372 4.491 4.120 -0.002 0.000 0.302 655 V C -1.192 174.938 176.094 0.059 0.000 1.035 655 V CA -0.839 61.486 62.300 0.042 0.000 0.873 655 V CB 1.686 33.505 31.823 -0.005 0.000 0.992 655 V HN 0.473 nan 8.190 nan 0.000 0.428 656 Y N 4.646 124.822 120.300 -0.207 0.000 2.386 656 Y HA 0.743 5.292 4.550 -0.002 0.000 0.334 656 Y C -1.577 174.202 175.900 -0.202 0.000 1.002 656 Y CA -0.894 57.148 58.100 -0.097 0.000 1.068 656 Y CB 1.863 40.309 38.460 -0.022 0.000 1.203 656 Y HN 0.550 nan 8.280 nan 0.000 0.443 657 F N 4.294 124.210 119.950 -0.056 0.000 2.617 657 F HA 0.467 4.992 4.527 -0.002 0.000 0.325 657 F C -0.571 175.241 175.800 0.020 0.000 1.179 657 F CA -0.692 57.403 58.000 0.157 0.000 0.965 657 F CB 1.904 41.035 39.000 0.217 0.000 1.232 657 F HN 0.415 nan 8.300 nan 0.000 0.461 658 E N 2.028 122.411 120.200 0.304 0.000 2.383 658 E HA 0.329 4.677 4.350 -0.002 0.000 0.275 658 E C -1.143 175.568 176.600 0.185 0.000 0.918 658 E CA -1.263 55.253 56.400 0.194 0.000 0.764 658 E CB 2.754 32.539 29.700 0.142 0.000 1.252 658 E HN 0.404 nan 8.360 nan 0.000 0.449 659 K N 1.644 122.112 120.400 0.113 0.000 2.451 659 K HA -0.002 4.317 4.320 -0.002 0.000 0.280 659 K C -0.706 175.933 176.600 0.064 0.000 1.020 659 K CA 0.445 56.766 56.287 0.056 0.000 1.008 659 K CB 0.149 32.665 32.500 0.027 0.000 0.917 659 K HN 0.476 nan 8.250 nan 0.000 0.478 660 D N 1.582 122.008 120.400 0.044 0.000 2.983 660 D HA -0.194 4.445 4.640 -0.002 0.000 0.225 660 D C 0.008 176.344 176.300 0.061 0.000 1.174 660 D CA 1.434 55.457 54.000 0.038 0.000 0.831 660 D CB -0.518 40.296 40.800 0.025 0.000 1.104 660 D HN 0.466 nan 8.370 nan 0.000 0.421 661 K N -1.012 119.448 120.400 0.100 0.000 3.248 661 K HA 0.293 4.611 4.320 -0.002 0.000 0.255 661 K C -0.077 176.592 176.600 0.115 0.000 1.395 661 K CA 0.205 56.567 56.287 0.125 0.000 1.139 661 K CB 0.379 33.013 32.500 0.223 0.000 2.091 661 K HN -0.099 nan 8.250 nan 0.000 0.408 662 Q N 0.471 120.391 119.800 0.201 0.000 2.333 662 Q HA 0.374 4.712 4.340 -0.002 0.000 0.268 662 Q C -0.196 175.914 176.000 0.183 0.000 1.007 662 Q CA -0.036 55.831 55.803 0.108 0.000 0.810 662 Q CB 2.116 30.971 28.738 0.195 0.000 1.264 662 Q HN 0.344 nan 8.270 nan 0.000 0.452 663 M N 0.799 120.471 119.600 0.121 0.000 2.060 663 M HA 0.254 4.732 4.480 -0.002 0.000 0.273 663 M C -0.531 175.994 176.300 0.375 0.000 1.139 663 M CA 0.295 55.805 55.300 0.350 0.000 1.091 663 M CB 0.777 33.493 32.600 0.192 0.000 1.860 663 M HN 0.480 nan 8.290 nan 0.000 0.638 664 F N 2.598 122.552 119.950 0.007 0.000 2.403 664 F HA 0.416 4.941 4.527 -0.002 0.000 0.355 664 F C -0.417 175.331 175.800 -0.087 0.000 1.119 664 F CA -0.585 57.450 58.000 0.058 0.000 1.007 664 F CB 0.734 39.757 39.000 0.037 0.000 1.194 664 F HN 0.035 nan 8.300 nan 0.000 0.443 665 H N 7.306 126.399 119.070 0.039 0.000 2.467 665 H HA 0.448 5.002 4.556 -0.002 0.000 0.326 665 H C -0.435 174.943 175.328 0.083 0.000 1.094 665 H CA -0.467 55.633 56.048 0.087 0.000 1.253 665 H CB 2.117 31.910 29.762 0.051 0.000 1.439 665 H HN 0.518 nan 8.280 nan 0.000 0.479 666 I N 5.354 126.085 120.570 0.270 0.000 2.330 666 I HA 0.236 4.405 4.170 -0.002 0.000 0.289 666 I C 0.061 176.269 176.117 0.150 0.000 1.001 666 I CA -0.346 61.068 61.300 0.190 0.000 1.193 666 I CB 0.998 39.105 38.000 0.178 0.000 1.345 666 I HN 0.297 nan 8.210 nan 0.000 0.461 667 I N 5.999 126.641 120.570 0.120 0.000 2.354 667 I HA 0.429 4.597 4.170 -0.002 0.000 0.292 667 I C -0.130 176.043 176.117 0.092 0.000 0.989 667 I CA -0.182 61.191 61.300 0.122 0.000 1.188 667 I CB 1.725 39.818 38.000 0.156 0.000 1.342 667 I HN 0.485 nan 8.210 nan 0.000 0.457 668 T N 3.477 118.098 114.554 0.111 0.000 2.916 668 T HA 0.888 5.237 4.350 -0.002 0.000 0.292 668 T C -0.085 174.693 174.700 0.131 0.000 1.055 668 T CA -0.833 61.332 62.100 0.108 0.000 1.009 668 T CB 2.336 71.264 68.868 0.100 0.000 1.118 668 T HN 0.978 nan 8.240 nan 0.000 0.497 669 G N 1.404 110.278 108.800 0.124 0.000 2.320 669 G HA2 0.516 4.475 3.960 -0.002 0.000 0.297 669 G HA3 0.516 4.475 3.960 -0.002 0.000 0.297 669 G C -3.295 171.670 174.900 0.110 0.000 1.344 669 G CA -0.926 44.251 45.100 0.128 0.000 0.851 669 G HN 0.625 nan 8.290 nan 0.000 0.567 670 P HA 0.152 nan 4.420 nan 0.000 0.272 670 P C -0.264 177.045 177.300 0.015 0.000 1.240 670 P CA -0.529 62.603 63.100 0.055 0.000 0.791 670 P CB 0.708 32.359 31.700 -0.081 0.000 0.978 671 N N 1.797 120.512 118.700 0.025 0.000 2.447 671 N HA -0.001 4.737 4.740 -0.002 0.000 0.263 671 N C 0.629 176.139 175.510 0.000 0.000 1.226 671 N CA 0.238 53.300 53.050 0.020 0.000 0.906 671 N CB -0.115 38.386 38.487 0.022 0.000 1.060 671 N HN 0.446 nan 8.380 nan 0.000 0.468 672 M N 1.422 121.033 119.600 0.019 0.000 3.037 672 M HA -0.177 4.302 4.480 -0.002 0.000 0.220 672 M C 1.095 177.420 176.300 0.041 0.000 0.559 672 M CA 0.730 56.053 55.300 0.038 0.000 0.838 672 M CB -1.632 30.985 32.600 0.028 0.000 2.985 672 M HN 0.712 nan 8.290 nan 0.000 0.320 673 G N -0.104 108.692 108.800 -0.008 0.000 2.422 673 G HA2 0.212 4.171 3.960 -0.002 0.000 0.218 673 G HA3 0.212 4.171 3.960 -0.002 0.000 0.218 673 G C 1.169 176.113 174.900 0.074 0.000 1.146 673 G CA 1.375 46.436 45.100 -0.064 0.000 0.769 673 G HN 1.200 nan 8.290 nan 0.000 0.547 674 G N -0.850 108.026 108.800 0.125 0.000 2.148 674 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.120 674 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.120 674 G C 0.907 175.883 174.900 0.127 0.000 1.034 674 G CA 0.561 45.752 45.100 0.152 0.000 0.710 674 G HN 0.481 nan 8.290 nan 0.000 0.495 675 K N 0.550 121.019 120.400 0.115 0.000 2.031 675 K HA 0.033 4.352 4.320 -0.002 0.000 0.205 675 K C 2.512 179.223 176.600 0.185 0.000 1.049 675 K CA 1.585 57.963 56.287 0.151 0.000 0.939 675 K CB -0.180 32.395 32.500 0.125 0.000 0.717 675 K HN 0.244 nan 8.250 nan 0.000 0.438 676 S N 0.677 116.460 115.700 0.138 0.000 2.402 676 S HA -0.089 4.379 4.470 -0.002 0.000 0.229 676 S C 1.970 176.643 174.600 0.122 0.000 1.021 676 S CA 1.522 59.795 58.200 0.122 0.000 0.974 676 S CB -0.240 63.012 63.200 0.086 0.000 0.800 676 S HN 0.334 nan 8.310 nan 0.000 0.484 677 T N 0.632 115.259 114.554 0.121 0.000 2.857 677 T HA -0.037 4.312 4.350 -0.002 0.000 0.266 677 T C 1.538 176.380 174.700 0.238 0.000 1.048 677 T CA 0.936 63.107 62.100 0.119 0.000 1.139 677 T CB -0.348 68.556 68.868 0.059 0.000 0.874 677 T HN 0.511 nan 8.240 nan 0.000 0.455 678 Y N 2.709 123.077 120.300 0.112 0.000 2.263 678 Y HA -0.002 4.546 4.550 -0.002 0.000 0.292 678 Y C 2.015 177.976 175.900 0.102 0.000 1.130 678 Y CA 0.758 58.925 58.100 0.112 0.000 1.179 678 Y CB -0.449 38.050 38.460 0.066 0.000 0.998 678 Y HN 0.330 nan 8.280 nan 0.000 0.532 679 I N -2.016 118.577 120.570 0.038 0.000 2.546 679 I HA -0.070 4.099 4.170 -0.002 0.000 0.255 679 I C 2.156 178.262 176.117 -0.018 0.000 1.163 679 I CA 1.135 62.412 61.300 -0.039 0.000 1.457 679 I CB -0.438 37.611 38.000 0.083 0.000 1.092 679 I HN 0.020 nan 8.210 nan 0.000 0.434 680 R N 1.312 121.848 120.500 0.060 0.000 2.100 680 R HA -0.065 4.273 4.340 -0.002 0.000 0.220 680 R C 2.528 178.876 176.300 0.080 0.000 1.091 680 R CA 1.405 57.563 56.100 0.097 0.000 0.986 680 R CB -0.241 30.160 30.300 0.168 0.000 0.888 680 R HN 0.638 nan 8.270 nan 0.000 0.444 681 Q N -0.120 119.761 119.800 0.136 0.000 2.124 681 Q HA -0.095 4.244 4.340 -0.002 0.000 0.202 681 Q C 1.257 177.176 176.000 -0.135 0.000 0.977 681 Q CA 1.803 57.605 55.803 -0.002 0.000 0.850 681 Q CB -0.327 28.485 28.738 0.123 0.000 0.901 681 Q HN 0.069 nan 8.270 nan 0.000 0.429 682 T N 1.085 115.542 114.554 -0.162 0.000 2.708 682 T HA -0.098 4.251 4.350 -0.002 0.000 0.266 682 T C 1.910 176.523 174.700 -0.146 0.000 1.037 682 T CA 1.430 63.423 62.100 -0.178 0.000 1.146 682 T CB -0.786 67.956 68.868 -0.211 0.000 0.865 682 T HN 0.640 nan 8.240 nan 0.000 0.435 683 G N 1.234 109.965 108.800 -0.116 0.000 2.446 683 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.217 683 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.217 683 G C 1.722 176.552 174.900 -0.117 0.000 1.168 683 G CA 1.026 46.065 45.100 -0.101 0.000 0.771 683 G HN 0.428 nan 8.290 nan 0.000 0.551 684 V N 1.141 120.969 119.914 -0.144 0.000 2.255 684 V HA -0.187 3.932 4.120 -0.002 0.000 0.247 684 V C 2.795 178.788 176.094 -0.168 0.000 1.051 684 V CA 1.726 63.917 62.300 -0.181 0.000 1.018 684 V CB -0.463 31.171 31.823 -0.315 0.000 0.641 684 V HN 0.398 nan 8.190 nan 0.000 0.445 685 I N -0.274 120.184 120.570 -0.186 0.000 2.163 685 I HA -0.253 3.916 4.170 -0.002 0.000 0.243 685 I C 2.384 178.415 176.117 -0.144 0.000 1.085 685 I CA 1.502 62.698 61.300 -0.173 0.000 1.347 685 I CB -0.404 37.487 38.000 -0.181 0.000 1.044 685 I HN 0.158 nan 8.210 nan 0.000 0.408 686 V N 0.790 120.613 119.914 -0.151 0.000 2.332 686 V HA -0.301 3.817 4.120 -0.002 0.000 0.248 686 V C 2.315 178.340 176.094 -0.116 0.000 1.055 686 V CA 1.935 64.142 62.300 -0.155 0.000 1.038 686 V CB -0.525 31.182 31.823 -0.193 0.000 0.651 686 V HN 0.437 nan 8.190 nan 0.000 0.450 687 L N -1.090 120.075 121.223 -0.097 0.000 2.109 687 L HA -0.144 4.195 4.340 -0.002 0.000 0.207 687 L C 2.400 179.246 176.870 -0.040 0.000 1.086 687 L CA 1.572 56.375 54.840 -0.062 0.000 0.760 687 L CB -0.143 41.884 42.059 -0.055 0.000 0.910 687 L HN 0.244 nan 8.230 nan 0.000 0.437 688 M N -0.739 118.834 119.600 -0.046 0.000 2.213 688 M HA -0.191 4.288 4.480 -0.002 0.000 0.263 688 M C 2.348 178.649 176.300 0.001 0.000 1.062 688 M CA 1.611 56.914 55.300 0.005 0.000 1.105 688 M CB -0.496 32.101 32.600 -0.004 0.000 1.385 688 M HN 0.467 nan 8.290 nan 0.000 0.417 689 A N 0.144 122.932 122.820 -0.053 0.000 1.902 689 A HA -0.188 4.131 4.320 -0.002 0.000 0.217 689 A C 1.929 179.466 177.584 -0.079 0.000 1.181 689 A CA 1.402 53.394 52.037 -0.075 0.000 0.623 689 A CB -0.628 18.308 19.000 -0.106 0.000 0.818 689 A HN 0.574 nan 8.150 nan 0.000 0.443 690 Q N -0.680 119.076 119.800 -0.073 0.000 2.472 690 Q HA 0.138 4.477 4.340 -0.002 0.000 0.208 690 Q C 1.433 177.380 176.000 -0.087 0.000 0.958 690 Q CA 0.435 56.192 55.803 -0.076 0.000 0.932 690 Q CB -0.119 28.585 28.738 -0.057 0.000 1.007 690 Q HN 0.766 nan 8.270 nan 0.000 0.508 691 I N -0.688 119.842 120.570 -0.066 0.000 3.059 691 I HA 0.042 4.211 4.170 -0.002 0.000 0.270 691 I C 1.033 176.980 176.117 -0.283 0.000 1.238 691 I CA 0.520 61.772 61.300 -0.081 0.000 1.478 691 I CB 0.071 38.136 38.000 0.108 0.000 1.097 691 I HN 0.259 nan 8.210 nan 0.000 0.455 692 G N 1.457 110.122 108.800 -0.224 0.000 2.203 692 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.231 692 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.231 692 G C -0.173 174.596 174.900 -0.219 0.000 1.058 692 G CA -0.057 44.884 45.100 -0.265 0.000 0.781 692 G HN 0.403 nan 8.290 nan 0.000 0.496 693 C N -0.536 118.738 119.300 -0.043 0.000 2.562 693 C HA 0.883 5.342 4.460 -0.002 0.000 0.332 693 C C 0.647 175.830 174.990 0.320 0.000 1.201 693 C CA -1.367 57.769 59.018 0.196 0.000 1.803 693 C CB 0.561 28.537 27.740 0.393 0.000 2.328 693 C HN 0.387 nan 8.230 nan 0.000 0.500 694 F N 2.309 122.366 119.950 0.179 0.000 2.450 694 F HA 0.474 5.000 4.527 -0.002 0.000 0.339 694 F C 0.631 176.554 175.800 0.205 0.000 1.146 694 F CA 0.061 58.173 58.000 0.188 0.000 1.267 694 F CB 0.895 40.035 39.000 0.233 0.000 1.178 694 F HN 0.291 nan 8.300 nan 0.000 0.585 695 V N 4.401 124.380 119.914 0.107 0.000 2.495 695 V HA 0.311 4.429 4.120 -0.002 0.000 0.298 695 V C -2.028 173.820 176.094 -0.409 0.000 1.031 695 V CA -1.841 60.351 62.300 -0.179 0.000 0.871 695 V CB 2.009 33.732 31.823 -0.167 0.000 0.988 695 V HN 0.510 nan 8.190 nan 0.000 0.432 696 P HA 0.144 nan 4.420 nan 0.000 0.245 696 P C -0.573 176.537 177.300 -0.317 0.000 1.670 696 P CA 0.276 62.906 63.100 -0.783 0.000 1.146 696 P CB -0.253 30.913 31.700 -0.889 0.000 1.954 697 C N 0.625 119.819 119.300 -0.177 0.000 3.239 697 C HA 0.213 4.672 4.460 -0.002 0.000 0.317 697 C C 1.918 176.886 174.990 -0.036 0.000 1.310 697 C CA -0.511 58.453 59.018 -0.090 0.000 1.371 697 C CB 2.278 29.961 27.740 -0.095 0.000 1.714 697 C HN 0.347 nan 8.230 nan 0.000 0.473 698 E N 0.553 120.745 120.200 -0.014 0.000 2.072 698 E HA -0.063 4.286 4.350 -0.002 0.000 0.190 698 E C 0.706 177.299 176.600 -0.012 0.000 0.982 698 E CA 1.126 57.528 56.400 0.002 0.000 0.803 698 E CB 0.204 29.910 29.700 0.011 0.000 0.755 698 E HN 0.570 nan 8.360 nan 0.000 0.453 699 S N -0.931 114.755 115.700 -0.023 0.000 2.549 699 S HA 0.665 5.134 4.470 -0.002 0.000 0.280 699 S C -1.695 172.872 174.600 -0.054 0.000 1.109 699 S CA -0.477 57.701 58.200 -0.036 0.000 0.905 699 S CB 1.925 65.115 63.200 -0.018 0.000 1.081 699 S HN 0.133 nan 8.310 nan 0.000 0.477 700 A N 3.451 126.225 122.820 -0.076 0.000 2.456 700 A HA 0.679 4.998 4.320 -0.002 0.000 0.288 700 A C -1.216 176.308 177.584 -0.099 0.000 1.042 700 A CA -0.607 51.374 52.037 -0.093 0.000 0.738 700 A CB 1.192 20.120 19.000 -0.121 0.000 1.266 700 A HN 0.761 nan 8.150 nan 0.000 0.407 701 E N 1.337 121.482 120.200 -0.093 0.000 2.191 701 E HA 0.558 4.907 4.350 -0.002 0.000 0.263 701 E C -1.291 175.239 176.600 -0.116 0.000 0.881 701 E CA -0.688 55.655 56.400 -0.095 0.000 0.757 701 E CB 2.452 32.104 29.700 -0.080 0.000 1.147 701 E HN 0.380 nan 8.360 nan 0.000 0.414 702 V N 2.335 122.174 119.914 -0.124 0.000 2.577 702 V HA 0.266 4.385 4.120 -0.002 0.000 0.303 702 V C -0.274 175.738 176.094 -0.138 0.000 1.042 702 V CA -0.829 61.379 62.300 -0.154 0.000 0.872 702 V CB 2.016 33.745 31.823 -0.157 0.000 0.998 702 V HN 0.597 nan 8.190 nan 0.000 0.423 703 S N 4.843 120.446 115.700 -0.161 0.000 2.537 703 S HA 0.591 5.060 4.470 -0.002 0.000 0.275 703 S C 0.082 174.621 174.600 -0.102 0.000 1.272 703 S CA -0.452 57.689 58.200 -0.097 0.000 1.050 703 S CB 0.952 64.134 63.200 -0.030 0.000 0.961 703 S HN 0.555 nan 8.310 nan 0.000 0.496 704 I N 2.882 123.415 120.570 -0.061 0.000 2.668 704 I HA 0.026 4.195 4.170 -0.002 0.000 0.285 704 I C -0.192 175.910 176.117 -0.025 0.000 1.168 704 I CA -0.038 61.230 61.300 -0.054 0.000 1.424 704 I CB 0.043 38.015 38.000 -0.046 0.000 1.377 704 I HN 0.214 nan 8.210 nan 0.000 0.560 705 V N 6.309 126.201 119.914 -0.037 0.000 2.472 705 V HA 0.034 4.153 4.120 -0.002 0.000 0.290 705 V C 0.909 177.005 176.094 0.005 0.000 1.037 705 V CA -0.250 62.051 62.300 0.001 0.000 0.908 705 V CB 1.638 33.437 31.823 -0.040 0.000 0.985 705 V HN 0.775 nan 8.190 nan 0.000 0.454 706 D N 2.074 122.486 120.400 0.021 0.000 2.133 706 D HA -0.107 4.531 4.640 -0.002 0.000 0.195 706 D C 0.445 176.752 176.300 0.010 0.000 0.997 706 D CA 1.872 55.876 54.000 0.006 0.000 0.840 706 D CB 0.177 40.980 40.800 0.005 0.000 0.947 706 D HN 0.869 nan 8.370 nan 0.000 0.452 707 C N -2.084 117.225 119.300 0.016 0.000 3.249 707 C HA 0.489 4.948 4.460 -0.002 0.000 0.358 707 C C -0.866 174.131 174.990 0.013 0.000 1.187 707 C CA -1.611 57.419 59.018 0.020 0.000 1.170 707 C CB -0.098 27.660 27.740 0.030 0.000 1.478 707 C HN 0.083 nan 8.230 nan 0.000 0.508 708 I N 2.576 123.151 120.570 0.007 0.000 2.312 708 I HA 0.538 4.706 4.170 -0.002 0.000 0.290 708 I C -0.273 175.849 176.117 0.008 0.000 1.008 708 I CA -0.272 61.026 61.300 -0.003 0.000 1.226 708 I CB 1.045 39.033 38.000 -0.019 0.000 1.371 708 I HN 0.531 nan 8.210 nan 0.000 0.468 709 L N 5.918 127.146 121.223 0.008 0.000 2.330 709 L HA 0.926 5.265 4.340 -0.002 0.000 0.271 709 L C -0.106 176.767 176.870 0.005 0.000 1.013 709 L CA -0.641 54.206 54.840 0.011 0.000 0.816 709 L CB 1.975 44.043 42.059 0.014 0.000 1.287 709 L HN 0.662 nan 8.230 nan 0.000 0.435 710 A N 1.786 124.609 122.820 0.006 0.000 2.587 710 A HA 0.874 5.192 4.320 -0.002 0.000 0.293 710 A C -1.357 176.225 177.584 -0.002 0.000 1.087 710 A CA -0.611 51.428 52.037 0.003 0.000 0.692 710 A CB 2.092 21.100 19.000 0.014 0.000 1.291 710 A HN 0.614 nan 8.150 nan 0.000 0.407 711 R N 0.723 121.219 120.500 -0.007 0.000 2.607 711 R HA 0.564 4.902 4.340 -0.002 0.000 0.278 711 R C -2.405 173.905 176.300 0.016 0.000 1.637 711 R CA -0.251 55.842 56.100 -0.011 0.000 1.325 711 R CB 0.312 30.583 30.300 -0.049 0.000 1.211 711 R HN 0.549 nan 8.270 nan 0.000 0.565 712 V N 3.371 123.302 119.914 0.030 0.000 2.531 712 V HA 0.727 4.846 4.120 -0.002 0.000 0.301 712 V C 0.843 176.964 176.094 0.045 0.000 1.034 712 V CA -0.464 61.865 62.300 0.049 0.000 0.865 712 V CB 1.860 33.714 31.823 0.051 0.000 0.995 712 V HN 0.769 nan 8.190 nan 0.000 0.424 724 T N -0.501 114.121 114.554 0.114 0.000 3.035 724 T HA -0.012 4.337 4.350 -0.002 0.000 0.268 724 T C 1.126 175.916 174.700 0.149 0.000 1.109 724 T CA 0.946 63.111 62.100 0.108 0.000 1.119 724 T CB -0.530 68.397 68.868 0.099 0.000 0.900 724 T HN 0.641 nan 8.240 nan 0.000 0.503 725 F N 1.200 121.178 119.950 0.046 0.000 2.367 725 F HA 0.310 4.836 4.527 -0.002 0.000 0.298 725 F C 2.039 177.868 175.800 0.048 0.000 1.094 725 F CA 0.331 58.363 58.000 0.055 0.000 1.409 725 F CB -0.272 38.766 39.000 0.064 0.000 1.064 725 F HN -0.021 nan 8.300 nan 0.000 0.528 726 M N 0.239 119.832 119.600 -0.012 0.000 2.229 726 M HA -0.071 4.408 4.480 -0.002 0.000 0.264 726 M C 2.503 178.729 176.300 -0.122 0.000 1.063 726 M CA 1.352 56.595 55.300 -0.096 0.000 1.114 726 M CB -1.670 30.938 32.600 0.013 0.000 1.387 726 M HN 0.306 nan 8.290 nan 0.000 0.420 727 A N -0.135 122.645 122.820 -0.068 0.000 1.908 727 A HA -0.213 4.106 4.320 -0.002 0.000 0.218 727 A C 2.118 179.646 177.584 -0.094 0.000 1.181 727 A CA 1.990 53.996 52.037 -0.051 0.000 0.627 727 A CB -0.763 18.231 19.000 -0.011 0.000 0.818 727 A HN 0.594 nan 8.150 nan 0.000 0.445 728 E N -1.322 118.786 120.200 -0.154 0.000 2.204 728 E HA -0.151 4.198 4.350 -0.002 0.000 0.194 728 E C 1.782 178.229 176.600 -0.256 0.000 0.989 728 E CA 1.105 57.394 56.400 -0.185 0.000 0.824 728 E CB -0.074 29.509 29.700 -0.196 0.000 0.756 728 E HN 0.474 nan 8.360 nan 0.000 0.477 729 M N -0.059 119.329 119.600 -0.354 0.000 2.357 729 M HA 0.024 4.502 4.480 -0.002 0.000 0.266 729 M C 2.252 178.459 176.300 -0.155 0.000 1.095 729 M CA 0.725 55.851 55.300 -0.291 0.000 1.156 729 M CB -0.562 31.821 32.600 -0.362 0.000 1.365 729 M HN 0.194 nan 8.290 nan 0.000 0.447 730 L N -0.107 121.044 121.223 -0.120 0.000 2.056 730 L HA -0.185 4.153 4.340 -0.002 0.000 0.207 730 L C 2.456 179.292 176.870 -0.057 0.000 1.078 730 L CA 1.290 56.087 54.840 -0.071 0.000 0.749 730 L CB -0.434 41.597 42.059 -0.046 0.000 0.901 730 L HN 0.372 nan 8.230 nan 0.000 0.433 731 E N -0.450 119.716 120.200 -0.056 0.000 2.208 731 E HA -0.188 4.161 4.350 -0.002 0.000 0.193 731 E C 1.986 178.561 176.600 -0.042 0.000 0.988 731 E CA 1.508 57.886 56.400 -0.037 0.000 0.828 731 E CB 0.176 29.860 29.700 -0.027 0.000 0.763 731 E HN 0.551 nan 8.360 nan 0.000 0.478 732 T N -1.790 112.725 114.554 -0.065 0.000 2.951 732 T HA 0.073 4.422 4.350 -0.002 0.000 0.268 732 T C 1.913 176.579 174.700 -0.056 0.000 1.073 732 T CA 0.775 62.837 62.100 -0.063 0.000 1.134 732 T CB -0.022 68.795 68.868 -0.085 0.000 0.884 732 T HN 0.170 nan 8.240 nan 0.000 0.479 733 A N 1.304 124.086 122.820 -0.065 0.000 1.968 733 A HA 0.114 4.432 4.320 -0.002 0.000 0.217 733 A C 2.640 180.201 177.584 -0.038 0.000 1.169 733 A CA 1.572 53.569 52.037 -0.066 0.000 0.638 733 A CB -1.040 17.916 19.000 -0.072 0.000 0.812 733 A HN 0.511 nan 8.150 nan 0.000 0.446 734 S N -0.092 115.591 115.700 -0.028 0.000 2.348 734 S HA -0.123 4.346 4.470 -0.002 0.000 0.221 734 S C 1.933 176.535 174.600 0.005 0.000 1.033 734 S CA 1.459 59.652 58.200 -0.011 0.000 1.010 734 S CB -0.490 62.707 63.200 -0.005 0.000 0.891 734 S HN 0.487 nan 8.310 nan 0.000 0.442 735 I N 0.929 121.501 120.570 0.003 0.000 2.163 735 I HA -0.168 4.001 4.170 -0.002 0.000 0.243 735 I C 2.317 178.455 176.117 0.035 0.000 1.085 735 I CA 0.912 62.221 61.300 0.016 0.000 1.347 735 I CB -0.362 37.641 38.000 0.005 0.000 1.044 735 I HN 0.306 nan 8.210 nan 0.000 0.408 736 L N 0.564 121.806 121.223 0.032 0.000 2.127 736 L HA -0.159 4.179 4.340 -0.002 0.000 0.211 736 L C 2.145 179.082 176.870 0.112 0.000 1.089 736 L CA 1.891 56.779 54.840 0.080 0.000 0.757 736 L CB -0.432 41.623 42.059 -0.007 0.000 0.899 736 L HN 0.122 nan 8.230 nan 0.000 0.434 737 R N -2.453 118.080 120.500 0.055 0.000 2.468 737 R HA 0.245 4.584 4.340 -0.002 0.000 0.280 737 R C 1.135 177.461 176.300 0.044 0.000 0.963 737 R CA 0.328 56.462 56.100 0.056 0.000 1.083 737 R CB 0.412 30.729 30.300 0.028 0.000 1.200 737 R HN 0.179 nan 8.270 nan 0.000 0.541 738 S N -0.117 115.608 115.700 0.042 0.000 2.631 738 S HA 0.223 4.691 4.470 -0.002 0.000 0.246 738 S C 0.352 174.972 174.600 0.034 0.000 1.068 738 S CA -0.315 57.907 58.200 0.038 0.000 0.995 738 S CB 1.171 64.395 63.200 0.040 0.000 0.944 738 S HN 0.314 nan 8.310 nan 0.000 0.529 739 A N 1.970 124.811 122.820 0.035 0.000 2.366 739 A HA 0.629 4.948 4.320 -0.002 0.000 0.272 739 A C 0.240 177.832 177.584 0.013 0.000 1.135 739 A CA 0.011 52.063 52.037 0.026 0.000 0.804 739 A CB 0.439 19.458 19.000 0.030 0.000 1.064 739 A HN 0.172 nan 8.150 nan 0.000 0.499 740 T N 0.283 114.834 114.554 -0.004 0.000 2.922 740 T HA 0.353 4.702 4.350 -0.002 0.000 0.281 740 T C 1.481 176.148 174.700 -0.056 0.000 1.005 740 T CA -0.032 62.053 62.100 -0.026 0.000 0.982 740 T CB 0.786 69.638 68.868 -0.026 0.000 1.158 740 T HN 0.707 nan 8.240 nan 0.000 0.566 741 K N 0.536 120.884 120.400 -0.085 0.000 2.281 741 K HA -0.084 4.235 4.320 -0.002 0.000 0.203 741 K C 0.660 177.142 176.600 -0.195 0.000 1.046 741 K CA 1.797 57.996 56.287 -0.147 0.000 0.938 741 K CB -0.039 32.378 32.500 -0.139 0.000 0.737 741 K HN 0.354 nan 8.250 nan 0.000 0.458 742 D N 1.080 121.420 120.400 -0.099 0.000 2.340 742 D HA -0.004 4.635 4.640 -0.002 0.000 0.220 742 D C 0.353 176.683 176.300 0.050 0.000 1.039 742 D CA 0.403 54.383 54.000 -0.033 0.000 0.866 742 D CB 0.306 41.101 40.800 -0.009 0.000 0.913 742 D HN 0.406 nan 8.370 nan 0.000 0.523 743 S N 0.044 115.755 115.700 0.018 0.000 2.738 743 S HA 0.553 5.022 4.470 -0.002 0.000 0.284 743 S C -0.346 174.327 174.600 0.123 0.000 1.146 743 S CA -0.901 57.335 58.200 0.059 0.000 0.997 743 S CB 1.859 65.073 63.200 0.023 0.000 1.081 743 S HN 0.032 nan 8.310 nan 0.000 0.553 744 L N 0.719 121.984 121.223 0.070 0.000 2.372 744 L HA 0.628 4.967 4.340 -0.002 0.000 0.274 744 L C -1.503 175.372 176.870 0.009 0.000 0.988 744 L CA -0.669 54.193 54.840 0.037 0.000 0.833 744 L CB 0.864 42.888 42.059 -0.057 0.000 1.236 744 L HN 0.764 nan 8.230 nan 0.000 0.410 745 I N 6.335 126.914 120.570 0.014 0.000 2.339 745 I HA 0.410 4.579 4.170 -0.002 0.000 0.290 745 I C -0.520 175.596 176.117 -0.003 0.000 0.994 745 I CA -0.444 60.859 61.300 0.005 0.000 1.191 745 I CB 1.541 39.550 38.000 0.015 0.000 1.343 745 I HN 0.490 nan 8.210 nan 0.000 0.458 746 I N 7.507 128.076 120.570 -0.002 0.000 2.359 746 I HA 0.400 4.569 4.170 -0.002 0.000 0.284 746 I C -0.295 175.828 176.117 0.011 0.000 1.018 746 I CA -0.276 61.033 61.300 0.016 0.000 1.173 746 I CB 0.840 38.852 38.000 0.020 0.000 1.326 746 I HN 0.383 nan 8.210 nan 0.000 0.462 747 I N 5.039 125.616 120.570 0.012 0.000 2.377 747 I HA 0.306 4.475 4.170 -0.002 0.000 0.293 747 I C -0.474 175.757 176.117 0.191 0.000 0.987 747 I CA -0.381 60.894 61.300 -0.042 0.000 1.185 747 I CB 1.679 39.401 38.000 -0.463 0.000 1.341 747 I HN 0.447 nan 8.210 nan 0.000 0.455 748 D N 7.013 127.518 120.400 0.176 0.000 2.438 748 D HA 0.145 4.784 4.640 -0.002 0.000 0.257 748 D C -0.137 176.335 176.300 0.286 0.000 1.148 748 D CA -0.205 53.944 54.000 0.250 0.000 0.902 748 D CB 0.483 41.374 40.800 0.153 0.000 1.062 748 D HN 0.633 nan 8.370 nan 0.000 0.518 749 E N 2.053 122.544 120.200 0.486 0.000 2.264 749 E HA -0.208 4.140 4.350 -0.002 0.000 0.223 749 E C -1.112 175.753 176.600 0.442 0.000 1.220 749 E CA 0.005 56.670 56.400 0.442 0.000 0.692 749 E CB -0.761 29.046 29.700 0.178 0.000 1.203 749 E HN 0.541 nan 8.360 nan 0.000 0.384 750 L N 0.741 122.354 121.223 0.651 0.000 2.331 750 L HA 0.514 4.853 4.340 -0.002 0.000 0.278 750 L C 1.172 178.460 176.870 0.696 0.000 1.106 750 L CA 1.109 56.231 54.840 0.470 0.000 0.824 750 L CB 0.697 42.865 42.059 0.182 0.000 1.142 750 L HN 0.523 nan 8.230 nan 0.000 0.443 751 G N 3.903 113.066 108.800 0.605 0.000 2.145 751 G HA2 -0.188 3.770 3.960 -0.002 0.000 0.145 751 G HA3 -0.188 3.770 3.960 -0.002 0.000 0.145 751 G C 0.464 175.755 174.900 0.650 0.000 1.017 751 G CA 0.120 45.682 45.100 0.770 0.000 0.682 751 G HN 0.778 nan 8.290 nan 0.000 0.504 752 R N -0.118 120.619 120.500 0.395 0.000 2.468 752 R HA 0.422 4.761 4.340 -0.002 0.000 0.280 752 R C 1.540 177.939 176.300 0.166 0.000 0.963 752 R CA 0.483 56.687 56.100 0.175 0.000 1.083 752 R CB 0.550 30.768 30.300 -0.137 0.000 1.200 752 R HN 0.375 nan 8.270 nan 0.000 0.541 753 G N 0.788 109.745 108.800 0.261 0.000 3.126 753 G HA2 0.056 4.014 3.960 -0.002 0.000 0.224 753 G HA3 0.056 4.014 3.960 -0.002 0.000 0.224 753 G C 0.278 175.051 174.900 -0.212 0.000 1.142 753 G CA 0.549 45.751 45.100 0.170 0.000 0.759 753 G HN 0.417 nan 8.290 nan 0.000 0.550 754 T N -2.507 111.879 114.554 -0.282 0.000 2.618 754 T HA 0.560 4.908 4.350 -0.002 0.000 0.286 754 T C 0.237 174.908 174.700 -0.049 0.000 1.027 754 T CA 0.023 61.933 62.100 -0.317 0.000 1.063 754 T CB 1.039 69.537 68.868 -0.617 0.000 1.440 754 T HN 0.318 nan 8.240 nan 0.000 0.505 755 S N 0.510 116.202 115.700 -0.013 0.000 2.568 755 S HA 0.200 4.668 4.470 -0.002 0.000 0.282 755 S C 1.699 176.400 174.600 0.169 0.000 1.338 755 S CA 0.164 58.422 58.200 0.096 0.000 1.045 755 S CB 0.330 63.598 63.200 0.114 0.000 0.873 755 S HN 1.166 nan 8.310 nan 0.000 0.516 756 T N 0.010 114.679 114.554 0.192 0.000 2.720 756 T HA -0.215 4.133 4.350 -0.002 0.000 0.268 756 T C 1.345 176.090 174.700 0.075 0.000 1.037 756 T CA 1.500 63.715 62.100 0.192 0.000 1.144 756 T CB -1.055 67.852 68.868 0.064 0.000 0.864 756 T HN 0.706 nan 8.240 nan 0.000 0.444 757 Y N 2.241 122.602 120.300 0.102 0.000 2.163 757 Y HA -0.007 4.541 4.550 -0.002 0.000 0.288 757 Y C 2.541 178.475 175.900 0.056 0.000 1.136 757 Y CA 1.435 59.577 58.100 0.069 0.000 1.147 757 Y CB -0.476 38.001 38.460 0.028 0.000 0.987 757 Y HN 0.235 nan 8.280 nan 0.000 0.509 758 D N -0.958 119.562 120.400 0.200 0.000 2.123 758 D HA -0.088 4.551 4.640 -0.002 0.000 0.200 758 D C 2.381 178.749 176.300 0.114 0.000 0.976 758 D CA 1.373 55.444 54.000 0.118 0.000 0.831 758 D CB -0.813 40.031 40.800 0.072 0.000 0.974 758 D HN 0.371 nan 8.370 nan 0.000 0.469 759 G N 0.192 109.084 108.800 0.154 0.000 2.414 759 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.215 759 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.215 759 G C 1.471 176.388 174.900 0.028 0.000 1.188 759 G CA 0.374 45.624 45.100 0.249 0.000 0.783 759 G HN 0.275 nan 8.290 nan 0.000 0.537 760 F N 2.632 122.279 119.950 -0.504 0.000 2.171 760 F HA 0.053 4.578 4.527 -0.002 0.000 0.300 760 F C 2.457 178.044 175.800 -0.356 0.000 1.090 760 F CA 1.411 58.796 58.000 -1.026 0.000 1.293 760 F CB -0.518 37.853 39.000 -1.047 0.000 1.013 760 F HN 0.104 nan 8.300 nan 0.000 0.486 761 G N 1.201 109.779 108.800 -0.370 0.000 2.446 761 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.217 761 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.217 761 G C 1.802 176.593 174.900 -0.182 0.000 1.168 761 G CA 1.250 46.152 45.100 -0.331 0.000 0.771 761 G HN 0.451 nan 8.290 nan 0.000 0.551 762 L N 0.702 121.892 121.223 -0.055 0.000 1.994 762 L HA -0.092 4.247 4.340 -0.002 0.000 0.208 762 L C 3.479 180.378 176.870 0.048 0.000 1.071 762 L CA 1.141 56.000 54.840 0.032 0.000 0.745 762 L CB -0.606 41.527 42.059 0.125 0.000 0.892 762 L HN 0.313 nan 8.230 nan 0.000 0.431 763 A N -0.197 122.664 122.820 0.069 0.000 1.892 763 A HA -0.295 4.024 4.320 -0.002 0.000 0.218 763 A C 2.169 179.849 177.584 0.160 0.000 1.188 763 A CA 1.898 54.063 52.037 0.213 0.000 0.631 763 A CB -1.207 17.997 19.000 0.340 0.000 0.822 763 A HN 0.698 nan 8.150 nan 0.000 0.447 764 W N 0.552 121.679 121.300 -0.288 0.000 2.332 764 W HA -0.225 4.434 4.660 -0.002 0.000 0.321 764 W C 2.462 178.889 176.519 -0.153 0.000 1.219 764 W CA 2.554 59.714 57.345 -0.309 0.000 1.277 764 W CB -0.630 28.448 29.460 -0.637 0.000 1.161 764 W HN 0.432 nan 8.180 nan 0.000 0.476 765 A N 0.605 123.514 122.820 0.149 0.000 1.940 765 A HA -0.195 4.124 4.320 -0.002 0.000 0.219 765 A C 2.102 179.715 177.584 0.047 0.000 1.176 765 A CA 2.005 54.103 52.037 0.101 0.000 0.631 765 A CB -1.061 17.985 19.000 0.076 0.000 0.814 765 A HN 0.378 nan 8.150 nan 0.000 0.446 766 I N -0.360 120.235 120.570 0.042 0.000 2.252 766 I HA -0.211 3.957 4.170 -0.002 0.000 0.245 766 I C 2.660 178.823 176.117 0.078 0.000 1.102 766 I CA 1.371 62.701 61.300 0.050 0.000 1.385 766 I CB -0.320 37.700 38.000 0.032 0.000 1.064 766 I HN 0.236 nan 8.210 nan 0.000 0.414 767 S N 0.841 116.560 115.700 0.031 0.000 2.356 767 S HA -0.240 4.228 4.470 -0.002 0.000 0.223 767 S C 1.824 176.187 174.600 -0.395 0.000 1.032 767 S CA 1.938 60.062 58.200 -0.127 0.000 1.005 767 S CB -0.438 62.663 63.200 -0.166 0.000 0.867 767 S HN 0.634 nan 8.310 nan 0.000 0.449 768 E N -0.000 120.003 120.200 -0.328 0.000 2.274 768 E HA -0.165 4.183 4.350 -0.002 0.000 0.194 768 E C 1.818 178.350 176.600 -0.113 0.000 0.996 768 E CA 0.855 57.083 56.400 -0.287 0.000 0.840 768 E CB -0.435 29.118 29.700 -0.245 0.000 0.772 768 E HN 0.673 nan 8.360 nan 0.000 0.491 769 Y N 1.296 121.521 120.300 -0.125 0.000 2.263 769 Y HA 0.021 4.570 4.550 -0.003 0.000 0.292 769 Y C 1.906 177.776 175.900 -0.050 0.000 1.130 769 Y CA 1.282 59.342 58.100 -0.066 0.000 1.179 769 Y CB 0.115 38.553 38.460 -0.036 0.000 0.998 769 Y HN -0.027 nan 8.280 nan 0.000 0.532 770 I N -0.252 120.378 120.570 0.100 0.000 2.315 770 I HA -0.272 3.897 4.170 -0.002 0.000 0.248 770 I C 2.515 178.642 176.117 0.017 0.000 1.117 770 I CA 1.133 62.495 61.300 0.103 0.000 1.404 770 I CB -0.504 37.665 38.000 0.283 0.000 1.071 770 I HN 0.327 nan 8.210 nan 0.000 0.419 771 A N 0.220 122.985 122.820 -0.092 0.000 1.874 771 A HA -0.103 4.215 4.320 -0.002 0.000 0.214 771 A C 2.351 179.859 177.584 -0.127 0.000 1.189 771 A CA 1.924 53.897 52.037 -0.106 0.000 0.615 771 A CB -0.805 18.032 19.000 -0.271 0.000 0.830 771 A HN 0.314 nan 8.150 nan 0.000 0.443 772 T N -0.626 113.825 114.554 -0.172 0.000 2.706 772 T HA -0.016 4.333 4.350 -0.002 0.000 0.255 772 T C 1.843 176.416 174.700 -0.213 0.000 1.048 772 T CA 1.524 63.522 62.100 -0.169 0.000 1.153 772 T CB -0.114 68.662 68.868 -0.154 0.000 0.865 772 T HN 0.383 nan 8.240 nan 0.000 0.414 773 K N 0.016 120.202 120.400 -0.357 0.000 2.387 773 K HA 0.238 4.556 4.320 -0.002 0.000 0.198 773 K C 0.877 177.252 176.600 -0.374 0.000 1.022 773 K CA 0.022 56.060 56.287 -0.416 0.000 1.128 773 K CB 0.252 32.379 32.500 -0.622 0.000 0.853 773 K HN 0.206 nan 8.250 nan 0.000 0.523 774 I N -1.448 118.950 120.570 -0.286 0.000 3.650 774 I HA 0.151 4.319 4.170 -0.002 0.000 0.261 774 I C 1.165 177.212 176.117 -0.118 0.000 1.154 774 I CA 0.935 62.138 61.300 -0.162 0.000 1.418 774 I CB -0.570 37.381 38.000 -0.082 0.000 1.539 774 I HN 0.198 nan 8.210 nan 0.000 0.449 775 G N 2.470 111.211 108.800 -0.098 0.000 2.246 775 G HA2 -0.139 3.819 3.960 -0.002 0.000 0.273 775 G HA3 -0.139 3.819 3.960 -0.002 0.000 0.273 775 G C 0.431 175.235 174.900 -0.160 0.000 1.055 775 G CA 0.491 45.529 45.100 -0.103 0.000 0.851 775 G HN 0.725 nan 8.290 nan 0.000 0.500 776 A N -0.664 122.089 122.820 -0.111 0.000 2.246 776 A HA 0.830 5.149 4.320 -0.002 0.000 0.291 776 A C 0.152 177.624 177.584 -0.187 0.000 1.103 776 A CA -0.642 51.286 52.037 -0.181 0.000 0.844 776 A CB 0.489 19.456 19.000 -0.055 0.000 1.136 776 A HN 0.669 nan 8.150 nan 0.000 0.500 777 F N 0.050 119.932 119.950 -0.113 0.000 2.471 777 F HA 0.406 4.931 4.527 -0.002 0.000 0.365 777 F C 0.674 176.393 175.800 -0.136 0.000 1.095 777 F CA 0.170 58.012 58.000 -0.264 0.000 1.174 777 F CB 0.514 39.069 39.000 -0.741 0.000 1.105 777 F HN 0.486 nan 8.300 nan 0.000 0.535 778 C N 6.950 126.379 119.300 0.214 0.000 2.626 778 C HA 0.794 5.252 4.460 -0.002 0.000 0.310 778 C C -0.689 174.316 174.990 0.025 0.000 1.191 778 C CA -0.984 58.055 59.018 0.034 0.000 1.517 778 C CB 0.615 28.279 27.740 -0.128 0.000 2.102 778 C HN 0.826 nan 8.230 nan 0.000 0.479 779 M N 5.947 125.560 119.600 0.021 0.000 2.197 779 M HA 0.431 4.910 4.480 -0.002 0.000 0.301 779 M C -1.277 175.077 176.300 0.090 0.000 0.987 779 M CA -0.284 55.070 55.300 0.090 0.000 0.921 779 M CB 1.950 34.655 32.600 0.175 0.000 1.569 779 M HN 0.628 nan 8.290 nan 0.000 0.431 780 F N 3.339 123.213 119.950 -0.126 0.000 2.532 780 F HA 0.690 5.216 4.527 -0.002 0.000 0.365 780 F C -0.840 175.033 175.800 0.121 0.000 1.112 780 F CA -1.635 56.366 58.000 0.002 0.000 1.082 780 F CB 0.751 39.759 39.000 0.013 0.000 1.319 780 F HN 0.653 nan 8.300 nan 0.000 0.457 781 A N 4.260 127.296 122.820 0.360 0.000 2.347 781 A HA 0.547 4.866 4.320 -0.002 0.000 0.287 781 A C 0.210 177.853 177.584 0.097 0.000 1.199 781 A CA 0.077 52.218 52.037 0.175 0.000 0.851 781 A CB 0.087 19.210 19.000 0.205 0.000 1.118 781 A HN 0.736 nan 8.150 nan 0.000 0.525 782 T N 0.373 114.857 114.554 -0.116 0.000 2.930 782 T HA 0.492 4.841 4.350 -0.002 0.000 0.290 782 T C 0.970 175.703 174.700 0.055 0.000 1.052 782 T CA -0.285 61.760 62.100 -0.092 0.000 1.017 782 T CB 0.729 69.338 68.868 -0.432 0.000 1.137 782 T HN 0.785 nan 8.240 nan 0.000 0.511 783 H N 1.365 120.370 119.070 -0.108 0.000 2.648 783 H HA 0.255 4.810 4.556 -0.002 0.000 0.265 783 H C -0.220 175.022 175.328 -0.144 0.000 0.961 783 H CA -0.338 55.631 56.048 -0.132 0.000 1.185 783 H CB -0.394 29.251 29.762 -0.196 0.000 1.449 783 H HN 0.374 nan 8.280 nan 0.000 0.523 784 F N 5.449 125.103 119.950 -0.494 0.000 2.506 784 F HA 0.057 4.583 4.527 -0.002 0.000 0.369 784 F C 2.169 177.778 175.800 -0.318 0.000 1.114 784 F CA -0.081 57.633 58.000 -0.477 0.000 1.121 784 F CB 0.330 39.166 39.000 -0.273 0.000 1.104 784 F HN 0.292 nan 8.300 nan 0.000 0.564 785 H N 1.668 120.747 119.070 0.014 0.000 2.321 785 H HA -0.167 4.388 4.556 -0.002 0.000 0.295 785 H C 0.111 175.454 175.328 0.025 0.000 1.102 785 H CA 1.689 57.739 56.048 0.003 0.000 1.266 785 H CB -0.021 29.722 29.762 -0.031 0.000 1.363 785 H HN 0.567 nan 8.280 nan 0.000 0.492 786 E N 0.482 120.561 120.200 -0.200 0.000 3.012 786 E HA 0.203 4.552 4.350 -0.002 0.000 0.228 786 E C 0.724 177.459 176.600 0.225 0.000 1.184 786 E CA -0.192 56.219 56.400 0.020 0.000 1.407 786 E CB 0.605 30.341 29.700 0.060 0.000 1.438 786 E HN 0.389 nan 8.360 nan 0.000 0.435 787 L N 0.468 121.886 121.223 0.325 0.000 2.513 787 L HA -0.036 4.303 4.340 -0.002 0.000 0.222 787 L C 2.369 179.400 176.870 0.269 0.000 1.096 787 L CA 0.836 56.000 54.840 0.540 0.000 0.857 787 L CB 0.138 42.406 42.059 0.348 0.000 1.026 787 L HN 0.277 nan 8.230 nan 0.000 0.469 788 T N -2.449 112.223 114.554 0.197 0.000 2.803 788 T HA -0.195 4.154 4.350 -0.002 0.000 0.269 788 T C 1.784 176.561 174.700 0.128 0.000 1.052 788 T CA 1.010 63.185 62.100 0.126 0.000 1.136 788 T CB -0.566 68.368 68.868 0.109 0.000 0.864 788 T HN 0.341 nan 8.240 nan 0.000 0.467 789 A N 0.860 123.827 122.820 0.245 0.000 2.186 789 A HA 0.138 4.457 4.320 -0.002 0.000 0.219 789 A C 2.198 179.917 177.584 0.224 0.000 1.159 789 A CA 1.168 53.375 52.037 0.284 0.000 0.680 789 A CB -0.842 18.403 19.000 0.409 0.000 0.787 789 A HN 0.504 nan 8.150 nan 0.000 0.467 790 L N -0.752 120.434 121.223 -0.061 0.000 2.156 790 L HA 0.050 4.388 4.340 -0.002 0.000 0.208 790 L C 2.593 179.360 176.870 -0.171 0.000 1.095 790 L CA 1.717 56.328 54.840 -0.382 0.000 0.770 790 L CB -0.609 40.913 42.059 -0.895 0.000 0.914 790 L HN 0.325 nan 8.230 nan 0.000 0.439 791 A N -0.440 122.335 122.820 -0.076 0.000 2.019 791 A HA -0.200 4.118 4.320 -0.002 0.000 0.219 791 A C 1.959 179.539 177.584 -0.008 0.000 1.164 791 A CA 1.718 53.738 52.037 -0.029 0.000 0.644 791 A CB -0.684 18.327 19.000 0.017 0.000 0.805 791 A HN 0.588 nan 8.150 nan 0.000 0.449 792 N N -0.060 118.651 118.700 0.019 0.000 2.142 792 N HA -0.120 4.619 4.740 -0.002 0.000 0.186 792 N C 1.871 177.396 175.510 0.025 0.000 1.023 792 N CA 1.540 54.611 53.050 0.035 0.000 0.852 792 N CB -0.409 38.118 38.487 0.066 0.000 0.998 792 N HN 0.703 nan 8.380 nan 0.000 0.424 793 Q N 0.371 120.183 119.800 0.021 0.000 1.937 793 Q HA 0.148 4.486 4.340 -0.002 0.000 0.198 793 Q C 0.372 176.358 176.000 -0.024 0.000 0.977 793 Q CA 0.471 56.282 55.803 0.013 0.000 0.836 793 Q CB 0.000 28.761 28.738 0.037 0.000 0.899 793 Q HN 0.263 nan 8.270 nan 0.000 0.437 794 I N 3.690 124.217 120.570 -0.071 0.000 2.598 794 I HA -0.055 4.114 4.170 -0.002 0.000 0.284 794 I C -1.513 174.571 176.117 -0.055 0.000 1.140 794 I CA -1.235 60.015 61.300 -0.084 0.000 1.420 794 I CB 0.486 38.394 38.000 -0.153 0.000 1.387 794 I HN 0.184 nan 8.210 nan 0.000 0.553 795 P HA -0.178 nan 4.420 nan 0.000 0.216 795 P C 1.443 178.735 177.300 -0.013 0.000 1.153 795 P CA 1.682 64.771 63.100 -0.018 0.000 0.848 795 P CB -0.154 31.540 31.700 -0.010 0.000 0.787 796 T N -2.828 111.718 114.554 -0.014 0.000 3.035 796 T HA 0.027 4.375 4.350 -0.002 0.000 0.268 796 T C 0.927 175.634 174.700 0.012 0.000 1.109 796 T CA 0.135 62.240 62.100 0.009 0.000 1.119 796 T CB -1.058 67.825 68.868 0.025 0.000 0.900 796 T HN -0.177 nan 8.240 nan 0.000 0.503 797 V N 3.093 123.000 119.914 -0.011 0.000 2.508 797 V HA 0.298 4.417 4.120 -0.002 0.000 0.281 797 V C 0.314 176.416 176.094 0.012 0.000 1.041 797 V CA -0.598 61.715 62.300 0.021 0.000 1.016 797 V CB 0.563 32.319 31.823 -0.112 0.000 0.984 797 V HN 0.573 nan 8.190 nan 0.000 0.478 798 N N 3.855 122.566 118.700 0.020 0.000 2.265 798 N HA 0.398 5.136 4.740 -0.002 0.000 0.300 798 N C -1.204 174.369 175.510 0.106 0.000 1.148 798 N CA -0.765 52.294 53.050 0.015 0.000 0.772 798 N CB 1.876 40.322 38.487 -0.069 0.000 1.434 798 N HN 0.591 nan 8.380 nan 0.000 0.481 799 N N 1.381 120.150 118.700 0.115 0.000 2.456 799 N HA 0.575 5.314 4.740 -0.002 0.000 0.296 799 N C -0.910 174.703 175.510 0.172 0.000 1.102 799 N CA -0.184 52.953 53.050 0.145 0.000 0.924 799 N CB 1.631 40.185 38.487 0.112 0.000 1.186 799 N HN 0.423 nan 8.380 nan 0.000 0.492 800 L N 1.325 122.655 121.223 0.178 0.000 2.466 800 L HA 0.476 4.815 4.340 -0.002 0.000 0.258 800 L C -0.788 176.174 176.870 0.154 0.000 0.973 800 L CA -0.896 54.021 54.840 0.128 0.000 0.826 800 L CB 2.436 44.538 42.059 0.072 0.000 1.372 800 L HN 0.653 nan 8.230 nan 0.000 0.409 801 H N 0.406 119.464 119.070 -0.020 0.000 3.016 801 H HA 0.656 5.210 4.556 -0.002 0.000 0.362 801 H C -1.830 173.464 175.328 -0.057 0.000 1.233 801 H CA -0.886 55.154 56.048 -0.014 0.000 1.124 801 H CB 1.922 31.695 29.762 0.019 0.000 1.850 801 H HN 0.256 nan 8.280 nan 0.000 0.549 802 V N 2.760 122.654 119.914 -0.033 0.000 2.384 802 V HA 0.256 4.375 4.120 -0.002 0.000 0.287 802 V C 0.747 176.822 176.094 -0.031 0.000 1.020 802 V CA -0.439 61.787 62.300 -0.124 0.000 0.850 802 V CB 1.128 32.890 31.823 -0.102 0.000 0.987 802 V HN 1.002 nan 8.190 nan 0.000 0.436 803 T N 2.317 116.826 114.554 -0.074 0.000 2.816 803 T HA 0.857 5.206 4.350 -0.002 0.000 0.282 803 T C -0.052 174.508 174.700 -0.233 0.000 0.993 803 T CA -0.193 61.900 62.100 -0.012 0.000 0.994 803 T CB 1.884 70.777 68.868 0.043 0.000 1.025 803 T HN 1.184 nan 8.240 nan 0.000 0.529 804 A N 0.552 123.184 122.820 -0.314 0.000 2.606 804 A HA 0.704 5.023 4.320 -0.002 0.000 0.293 804 A C -1.420 176.001 177.584 -0.273 0.000 1.082 804 A CA -1.059 50.664 52.037 -0.524 0.000 0.685 804 A CB 1.212 19.571 19.000 -1.067 0.000 1.284 804 A HN 0.846 nan 8.150 nan 0.000 0.408 805 L N 1.444 122.542 121.223 -0.208 0.000 2.346 805 L HA 0.701 5.040 4.340 -0.002 0.000 0.276 805 L C 0.447 177.275 176.870 -0.071 0.000 1.006 805 L CA -0.625 54.173 54.840 -0.070 0.000 0.817 805 L CB 2.351 44.372 42.059 -0.065 0.000 1.272 805 L HN 0.965 nan 8.230 nan 0.000 0.421 806 T N -1.668 112.859 114.554 -0.045 0.000 2.950 806 T HA 0.780 5.129 4.350 -0.002 0.000 0.288 806 T C -0.000 174.646 174.700 -0.089 0.000 1.035 806 T CA -0.429 61.580 62.100 -0.151 0.000 1.028 806 T CB 2.411 71.031 68.868 -0.414 0.000 1.109 806 T HN 0.583 nan 8.240 nan 0.000 0.514 807 T N -0.033 114.500 114.554 -0.034 0.000 1.730 807 T HA 0.412 4.761 4.350 -0.002 0.000 0.172 807 T C 0.388 175.176 174.700 0.147 0.000 0.692 807 T CA -0.588 61.538 62.100 0.042 0.000 1.059 807 T CB 0.396 69.297 68.868 0.055 0.000 3.166 807 T HN 0.701 nan 8.240 nan 0.000 0.409 808 E N 0.027 120.333 120.200 0.177 0.000 2.603 808 E HA 0.193 4.541 4.350 -0.002 0.000 0.218 808 E C -0.016 176.648 176.600 0.106 0.000 0.878 808 E CA 0.181 56.693 56.400 0.188 0.000 1.348 808 E CB 1.004 30.758 29.700 0.091 0.000 1.318 808 E HN 0.493 nan 8.360 nan 0.000 0.673 809 E N 0.421 120.680 120.200 0.097 0.000 2.945 809 E HA 0.156 4.504 4.350 -0.002 0.000 0.196 809 E C -0.876 175.761 176.600 0.061 0.000 0.965 809 E CA 0.088 56.513 56.400 0.042 0.000 1.270 809 E CB 1.684 31.399 29.700 0.025 0.000 1.045 809 E HN -0.128 nan 8.360 nan 0.000 0.474 810 T N 1.159 115.792 114.554 0.131 0.000 2.993 810 T HA 0.462 4.810 4.350 -0.002 0.000 0.312 810 T C -1.599 173.184 174.700 0.139 0.000 1.115 810 T CA -0.578 61.581 62.100 0.098 0.000 1.027 810 T CB 2.022 70.920 68.868 0.050 0.000 1.116 810 T HN 0.004 nan 8.240 nan 0.000 0.464 811 L N 3.615 124.878 121.223 0.067 0.000 2.529 811 L HA 0.548 4.887 4.340 -0.002 0.000 0.260 811 L C -0.282 176.542 176.870 -0.078 0.000 0.997 811 L CA -0.110 54.735 54.840 0.008 0.000 0.885 811 L CB 1.064 43.163 42.059 0.067 0.000 1.185 811 L HN 0.834 nan 8.230 nan 0.000 0.442 812 T N 1.900 116.384 114.554 -0.117 0.000 2.771 812 T HA 0.608 4.957 4.350 -0.002 0.000 0.281 812 T C 0.306 174.841 174.700 -0.274 0.000 0.982 812 T CA -0.887 61.120 62.100 -0.155 0.000 0.978 812 T CB 1.236 70.043 68.868 -0.102 0.000 0.930 812 T HN 0.350 nan 8.240 nan 0.000 0.447 813 M N 3.324 122.684 119.600 -0.399 0.000 2.243 813 M HA 0.273 4.752 4.480 -0.002 0.000 0.341 813 M C 0.976 176.866 176.300 -0.684 0.000 1.130 813 M CA -0.682 54.221 55.300 -0.662 0.000 1.162 813 M CB 0.279 32.261 32.600 -1.031 0.000 1.497 813 M HN 0.715 nan 8.290 nan 0.000 0.456 814 L N 1.560 122.445 121.223 -0.564 0.000 2.463 814 L HA 0.017 4.356 4.340 -0.002 0.000 0.219 814 L C -0.082 176.649 176.870 -0.233 0.000 1.088 814 L CA 0.206 54.848 54.840 -0.330 0.000 0.849 814 L CB -0.067 41.869 42.059 -0.204 0.000 1.012 814 L HN 0.714 nan 8.230 nan 0.000 0.468 815 Y N -0.740 119.457 120.300 -0.172 0.000 4.668 815 Y HA -0.289 4.260 4.550 -0.002 0.000 0.234 815 Y C 0.584 176.357 175.900 -0.212 0.000 1.056 815 Y CA 0.279 58.255 58.100 -0.206 0.000 2.025 815 Y CB -2.405 35.902 38.460 -0.256 0.000 1.613 815 Y HN 0.344 nan 8.280 nan 0.000 0.653 816 Q N -0.106 119.634 119.800 -0.099 0.000 2.337 816 Q HA 0.622 4.960 4.340 -0.002 0.000 0.266 816 Q C -0.483 175.375 176.000 -0.236 0.000 1.023 816 Q CA -0.897 54.821 55.803 -0.142 0.000 0.829 816 Q CB 3.019 31.692 28.738 -0.108 0.000 1.306 816 Q HN 0.125 nan 8.270 nan 0.000 0.449 817 V N 3.952 123.675 119.914 -0.318 0.000 2.385 817 V HA 0.292 4.410 4.120 -0.002 0.000 0.269 817 V C -0.805 175.079 176.094 -0.350 0.000 1.043 817 V CA 0.002 62.047 62.300 -0.425 0.000 0.906 817 V CB 0.520 31.914 31.823 -0.715 0.000 0.995 817 V HN 0.611 nan 8.190 nan 0.000 0.467 818 K N 5.463 125.593 120.400 -0.449 0.000 2.166 818 K HA 0.541 4.860 4.320 -0.002 0.000 0.245 818 K C -0.586 175.869 176.600 -0.241 0.000 0.967 818 K CA -0.877 55.201 56.287 -0.349 0.000 0.863 818 K CB 1.928 34.200 32.500 -0.381 0.000 1.107 818 K HN 0.588 nan 8.250 nan 0.000 0.436 819 K N 1.032 121.400 120.400 -0.053 0.000 2.350 819 K HA 0.287 4.606 4.320 -0.002 0.000 0.279 819 K C 0.437 177.146 176.600 0.180 0.000 1.027 819 K CA 0.290 56.607 56.287 0.050 0.000 0.969 819 K CB 0.821 33.333 32.500 0.019 0.000 0.954 819 K HN 0.856 nan 8.250 nan 0.000 0.474 820 G N 0.468 109.386 108.800 0.197 0.000 2.451 820 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.208 820 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.208 820 G C -1.065 173.938 174.900 0.173 0.000 1.248 820 G CA -0.666 44.530 45.100 0.161 0.000 0.989 820 G HN 0.455 nan 8.290 nan 0.000 0.559 821 V N -0.276 119.586 119.914 -0.086 0.000 3.001 821 V HA 0.698 4.816 4.120 -0.002 0.000 0.314 821 V C 0.980 176.735 176.094 -0.565 0.000 1.099 821 V CA -0.153 61.991 62.300 -0.259 0.000 0.989 821 V CB 1.338 33.111 31.823 -0.083 0.000 1.040 821 V HN 1.908 nan 8.190 nan 0.000 0.434 822 C N -0.052 118.894 119.300 -0.591 0.000 2.470 822 C HA 0.603 5.061 4.460 -0.002 0.000 0.341 822 C C 1.282 176.147 174.990 -0.208 0.000 1.190 822 C CA -0.458 58.313 59.018 -0.412 0.000 1.904 822 C CB 1.325 28.889 27.740 -0.293 0.000 2.354 822 C HN 0.871 nan 8.230 nan 0.000 0.509 823 D N 0.155 120.451 120.400 -0.173 0.000 2.084 823 D HA -0.049 4.589 4.640 -0.002 0.000 0.196 823 D C 1.008 177.171 176.300 -0.229 0.000 0.985 823 D CA 1.487 55.388 54.000 -0.165 0.000 0.826 823 D CB -0.142 40.576 40.800 -0.138 0.000 0.978 823 D HN 0.727 nan 8.370 nan 0.000 0.456 824 Q N -0.098 119.495 119.800 -0.345 0.000 2.417 824 Q HA 0.160 4.498 4.340 -0.002 0.000 0.241 824 Q C 1.091 176.712 176.000 -0.631 0.000 1.008 824 Q CA 0.050 55.486 55.803 -0.612 0.000 0.901 824 Q CB 1.136 29.243 28.738 -1.052 0.000 1.259 824 Q HN 0.117 nan 8.270 nan 0.000 0.489 825 S N 0.042 115.403 115.700 -0.564 0.000 2.549 825 S HA 0.075 4.543 4.470 -0.002 0.000 0.225 825 S C 0.579 175.136 174.600 -0.071 0.000 1.039 825 S CA -0.070 57.984 58.200 -0.242 0.000 0.942 825 S CB 0.197 63.318 63.200 -0.132 0.000 0.881 825 S HN 0.761 nan 8.310 nan 0.000 0.503 826 F N 1.147 121.077 119.950 -0.034 0.000 2.666 826 F HA -0.309 4.216 4.527 -0.002 0.000 0.547 826 F C 1.975 177.779 175.800 0.008 0.000 0.517 826 F CA 0.700 58.691 58.000 -0.016 0.000 0.821 826 F CB -1.985 37.001 39.000 -0.024 0.000 1.627 826 F HN 0.394 nan 8.300 nan 0.000 0.259 827 G N 0.633 109.511 108.800 0.131 0.000 2.529 827 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.219 827 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.219 827 G C 1.469 176.359 174.900 -0.017 0.000 1.177 827 G CA 1.698 46.827 45.100 0.049 0.000 0.773 827 G HN 0.516 nan 8.290 nan 0.000 0.573 828 I N -0.182 120.364 120.570 -0.040 0.000 2.335 828 I HA -0.210 3.959 4.170 -0.002 0.000 0.251 828 I C 2.495 178.572 176.117 -0.067 0.000 1.129 828 I CA 1.317 62.558 61.300 -0.099 0.000 1.402 828 I CB -0.444 37.507 38.000 -0.081 0.000 1.069 828 I HN 0.268 nan 8.210 nan 0.000 0.424 829 H N 0.919 119.954 119.070 -0.058 0.000 2.462 829 H HA -0.068 4.487 4.556 -0.002 0.000 0.292 829 H C 2.212 177.524 175.328 -0.027 0.000 1.049 829 H CA 1.372 57.406 56.048 -0.024 0.000 1.334 829 H CB 0.417 30.202 29.762 0.038 0.000 1.404 829 H HN 0.158 nan 8.280 nan 0.000 0.544 830 V N 1.011 120.926 119.914 0.002 0.000 2.427 830 V HA -0.193 3.926 4.120 -0.002 0.000 0.248 830 V C 2.978 178.998 176.094 -0.123 0.000 1.051 830 V CA 1.332 63.606 62.300 -0.043 0.000 1.048 830 V CB -1.009 30.817 31.823 0.004 0.000 0.666 830 V HN 0.504 nan 8.190 nan 0.000 0.456 831 A N -0.154 122.526 122.820 -0.232 0.000 1.898 831 A HA -0.255 4.064 4.320 -0.002 0.000 0.216 831 A C 2.307 179.746 177.584 -0.242 0.000 1.181 831 A CA 1.892 53.654 52.037 -0.459 0.000 0.620 831 A CB -0.463 17.918 19.000 -1.030 0.000 0.819 831 A HN 0.614 nan 8.150 nan 0.000 0.442 832 E N -0.621 119.447 120.200 -0.220 0.000 2.106 832 E HA -0.185 4.163 4.350 -0.002 0.000 0.192 832 E C 1.847 178.382 176.600 -0.109 0.000 0.984 832 E CA 1.195 57.520 56.400 -0.126 0.000 0.806 832 E CB -0.169 29.425 29.700 -0.177 0.000 0.750 832 E HN 0.418 nan 8.360 nan 0.000 0.458 833 L N 0.685 121.794 121.223 -0.189 0.000 2.131 833 L HA -0.030 4.308 4.340 -0.002 0.000 0.210 833 L C 2.028 178.880 176.870 -0.030 0.000 1.092 833 L CA 1.908 56.666 54.840 -0.137 0.000 0.759 833 L CB -0.406 41.556 42.059 -0.163 0.000 0.903 833 L HN 0.166 nan 8.230 nan 0.000 0.435 834 A N -0.955 121.880 122.820 0.024 0.000 2.238 834 A HA 0.089 4.408 4.320 -0.002 0.000 0.208 834 A C 0.820 178.473 177.584 0.116 0.000 1.177 834 A CA 0.562 52.651 52.037 0.087 0.000 0.804 834 A CB -0.664 18.422 19.000 0.145 0.000 0.823 834 A HN 0.639 nan 8.150 nan 0.000 0.482 835 N N -1.827 116.940 118.700 0.110 0.000 2.846 835 N HA -0.155 4.584 4.740 -0.002 0.000 0.249 835 N C -0.839 174.744 175.510 0.121 0.000 1.090 835 N CA 0.322 53.423 53.050 0.086 0.000 0.674 835 N CB -2.417 36.087 38.487 0.028 0.000 0.938 835 N HN 0.386 nan 8.380 nan 0.000 0.559 836 F N 0.709 120.623 119.950 -0.059 0.000 2.429 836 F HA 0.387 4.913 4.527 -0.002 0.000 0.348 836 F C -1.048 174.699 175.800 -0.088 0.000 1.109 836 F CA -1.509 56.448 58.000 -0.073 0.000 1.232 836 F CB 0.661 39.616 39.000 -0.074 0.000 1.157 836 F HN 0.116 nan 8.300 nan 0.000 0.564 837 P HA 0.040 nan 4.420 nan 0.000 0.271 837 P C -0.069 177.170 177.300 -0.100 0.000 1.216 837 P CA -0.331 62.710 63.100 -0.099 0.000 0.776 837 P CB 0.696 32.254 31.700 -0.236 0.000 0.881 838 K N 3.267 123.663 120.400 -0.007 0.000 2.044 838 K HA -0.329 3.989 4.320 -0.002 0.000 0.224 838 K C 1.602 178.224 176.600 0.037 0.000 1.056 838 K CA 2.317 58.633 56.287 0.049 0.000 0.962 838 K CB -1.308 31.262 32.500 0.117 0.000 0.730 838 K HN 0.606 nan 8.250 nan 0.000 0.453 839 H N 0.198 119.292 119.070 0.040 0.000 2.545 839 H HA 0.048 4.603 4.556 -0.002 0.000 0.282 839 H C 1.809 177.169 175.328 0.053 0.000 1.020 839 H CA 1.167 57.237 56.048 0.036 0.000 1.243 839 H CB -0.334 29.443 29.762 0.025 0.000 1.377 839 H HN 0.195 nan 8.280 nan 0.000 0.581 840 V N 0.640 120.412 119.914 -0.236 0.000 2.500 840 V HA -0.103 4.015 4.120 -0.002 0.000 0.243 840 V C 2.569 178.694 176.094 0.051 0.000 1.039 840 V CA 0.825 63.087 62.300 -0.063 0.000 1.053 840 V CB -0.402 31.398 31.823 -0.039 0.000 0.695 840 V HN 0.223 nan 8.190 nan 0.000 0.463 841 I N 0.483 121.080 120.570 0.046 0.000 2.394 841 I HA -0.145 4.024 4.170 -0.002 0.000 0.251 841 I C 2.243 178.355 176.117 -0.008 0.000 1.136 841 I CA 1.649 62.953 61.300 0.006 0.000 1.425 841 I CB -0.192 37.806 38.000 -0.003 0.000 1.079 841 I HN 0.334 nan 8.210 nan 0.000 0.425 842 E N -1.256 118.952 120.200 0.015 0.000 2.371 842 E HA -0.148 4.201 4.350 -0.002 0.000 0.194 842 E C 2.222 178.832 176.600 0.017 0.000 1.012 842 E CA 0.657 57.066 56.400 0.014 0.000 0.860 842 E CB -0.184 29.532 29.700 0.027 0.000 0.811 842 E HN 0.576 nan 8.360 nan 0.000 0.502 843 C N 0.602 119.919 119.300 0.029 0.000 2.457 843 C HA 0.068 4.526 4.460 -0.002 0.000 0.278 843 C C 2.782 177.781 174.990 0.015 0.000 1.309 843 C CA 1.099 60.136 59.018 0.033 0.000 1.735 843 C CB -0.658 27.113 27.740 0.052 0.000 1.992 843 C HN 0.464 nan 8.230 nan 0.000 0.493 844 A N 0.173 122.995 122.820 0.003 0.000 1.968 844 A HA -0.065 4.254 4.320 -0.002 0.000 0.217 844 A C 2.217 179.782 177.584 -0.032 0.000 1.169 844 A CA 1.344 53.369 52.037 -0.020 0.000 0.638 844 A CB -0.514 18.455 19.000 -0.052 0.000 0.812 844 A HN 0.728 nan 8.150 nan 0.000 0.446 845 K N -0.372 120.009 120.400 -0.031 0.000 2.097 845 K HA -0.174 4.144 4.320 -0.002 0.000 0.206 845 K C 2.248 178.827 176.600 -0.035 0.000 1.049 845 K CA 1.692 57.957 56.287 -0.037 0.000 0.933 845 K CB -0.165 32.319 32.500 -0.028 0.000 0.717 845 K HN 0.612 nan 8.250 nan 0.000 0.442 846 Q N 0.304 120.092 119.800 -0.021 0.000 2.123 846 Q HA -0.057 4.281 4.340 -0.002 0.000 0.199 846 Q C 1.931 177.917 176.000 -0.023 0.000 0.966 846 Q CA 0.801 56.592 55.803 -0.021 0.000 0.845 846 Q CB 0.157 28.891 28.738 -0.007 0.000 0.907 846 Q HN 0.049 nan 8.270 nan 0.000 0.439 847 K N 0.453 120.844 120.400 -0.015 0.000 2.217 847 K HA -0.004 4.314 4.320 -0.002 0.000 0.202 847 K C 1.859 178.442 176.600 -0.027 0.000 1.051 847 K CA 0.868 57.150 56.287 -0.008 0.000 0.952 847 K CB -0.057 32.447 32.500 0.007 0.000 0.736 847 K HN 0.152 nan 8.250 nan 0.000 0.453 848 A N 1.163 123.955 122.820 -0.047 0.000 1.873 848 A HA -0.097 4.221 4.320 -0.002 0.000 0.215 848 A C 2.238 179.768 177.584 -0.091 0.000 1.186 848 A CA 1.030 53.024 52.037 -0.072 0.000 0.616 848 A CB -0.530 18.423 19.000 -0.079 0.000 0.823 848 A HN 0.194 nan 8.150 nan 0.000 0.442 849 L N -0.487 120.684 121.223 -0.086 0.000 2.083 849 L HA -0.156 4.182 4.340 -0.002 0.000 0.209 849 L C 1.736 178.519 176.870 -0.145 0.000 1.083 849 L CA 1.215 55.990 54.840 -0.107 0.000 0.752 849 L CB -0.513 41.494 42.059 -0.086 0.000 0.899 849 L HN 0.431 nan 8.230 nan 0.000 0.433 850 E N -0.122 120.010 120.200 -0.114 0.000 2.382 850 E HA 0.018 4.367 4.350 -0.002 0.000 0.190 850 E C 1.161 177.668 176.600 -0.155 0.000 1.125 850 E CA 0.093 56.410 56.400 -0.138 0.000 0.929 850 E CB 0.218 29.896 29.700 -0.036 0.000 1.053 850 E HN 0.515 nan 8.360 nan 0.000 0.475 851 L N -1.100 120.015 121.223 -0.180 0.000 3.154 851 L HA 0.091 4.430 4.340 -0.002 0.000 0.280 851 L C 1.611 178.395 176.870 -0.143 0.000 1.134 851 L CA 0.114 54.921 54.840 -0.055 0.000 1.037 851 L CB 0.457 42.523 42.059 0.010 0.000 1.571 851 L HN 0.013 nan 8.230 nan 0.000 0.576 852 E N 1.229 121.308 120.200 -0.202 0.000 2.285 852 E HA -0.177 4.172 4.350 -0.002 0.000 0.194 852 E C 1.334 177.808 176.600 -0.209 0.000 0.997 852 E CA 1.026 57.326 56.400 -0.166 0.000 0.845 852 E CB 0.162 29.776 29.700 -0.144 0.000 0.782 852 E HN 0.533 nan 8.360 nan 0.000 0.491 853 E N 0.433 120.401 120.200 -0.387 0.000 2.472 853 E HA -0.138 4.211 4.350 -0.002 0.000 0.200 853 E C 0.635 176.978 176.600 -0.429 0.000 1.046 853 E CA 0.566 56.701 56.400 -0.442 0.000 0.871 853 E CB -0.241 29.135 29.700 -0.540 0.000 0.806 853 E HN 0.329 nan 8.360 nan 0.000 0.533 854 F N 1.307 121.236 119.950 -0.035 0.000 2.750 854 F HA 0.327 4.853 4.527 -0.002 0.000 0.297 854 F C 0.697 176.485 175.800 -0.021 0.000 1.138 854 F CA -0.598 57.387 58.000 -0.026 0.000 1.346 854 F CB 0.370 39.354 39.000 -0.028 0.000 0.965 854 F HN -0.108 nan 8.300 nan 0.000 0.514 855 Q N 0.000 119.845 119.800 0.075 0.000 2.315 855 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 855 Q CA 0.000 55.837 55.803 0.056 0.000 1.022 855 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 855 Q HN 0.000 nan 8.270 nan 0.000 0.481