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 1g20_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.611 174.600 0.018 0.000 1.055 2 S CA 0.000 58.202 58.200 0.004 0.000 1.107 2 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 3 Q N 1.226 121.029 119.800 0.005 0.000 2.271 3 Q HA 0.579 4.919 4.340 0.000 0.000 0.268 3 Q C -1.923 174.071 176.000 -0.009 0.000 1.021 3 Q CA -0.407 55.394 55.803 -0.004 0.000 0.802 3 Q CB 1.551 30.288 28.738 -0.002 0.000 1.282 3 Q HN 0.497 nan 8.270 nan 0.000 0.431 4 Q N 1.991 121.782 119.800 -0.014 0.000 2.296 4 Q HA 0.228 4.568 4.340 0.000 0.000 0.257 4 Q C 0.494 176.486 176.000 -0.014 0.000 0.942 4 Q CA -0.169 55.626 55.803 -0.013 0.000 0.939 4 Q CB 1.752 30.480 28.738 -0.016 0.000 1.198 4 Q HN 0.635 nan 8.270 nan 0.000 0.429 5 V N 2.778 122.686 119.914 -0.010 0.000 2.546 5 V HA -0.252 3.868 4.120 0.000 0.000 0.254 5 V C 0.383 176.471 176.094 -0.010 0.000 1.076 5 V CA 2.197 64.492 62.300 -0.009 0.000 1.087 5 V CB 0.101 31.921 31.823 -0.005 0.000 0.674 5 V HN 0.797 nan 8.190 nan 0.000 0.470 6 D N -0.830 119.563 120.400 -0.011 0.000 2.369 6 D HA 0.137 4.777 4.640 0.000 0.000 0.211 6 D C 0.731 177.022 176.300 -0.014 0.000 1.077 6 D CA 0.182 54.175 54.000 -0.011 0.000 0.842 6 D CB 0.489 41.284 40.800 -0.008 0.000 0.947 6 D HN 0.324 nan 8.370 nan 0.000 0.509 7 K N 1.219 121.607 120.400 -0.019 0.000 3.157 7 K HA 0.279 4.599 4.320 0.000 0.000 0.173 7 K C -1.044 175.535 176.600 -0.035 0.000 1.127 7 K CA -0.181 56.090 56.287 -0.026 0.000 0.849 7 K CB -0.104 32.380 32.500 -0.027 0.000 1.038 7 K HN -0.133 nan 8.250 nan 0.000 0.603 8 I N 2.727 123.278 120.570 -0.033 0.000 2.496 8 I HA 0.115 4.285 4.170 0.000 0.000 0.285 8 I C 0.254 176.335 176.117 -0.059 0.000 1.080 8 I CA -0.069 61.207 61.300 -0.040 0.000 1.404 8 I CB 0.819 38.802 38.000 -0.028 0.000 1.403 8 I HN 0.195 nan 8.210 nan 0.000 0.539 9 K N 5.547 125.898 120.400 -0.082 0.000 2.182 9 K HA 0.690 5.010 4.320 0.000 0.000 0.262 9 K C -0.337 176.180 176.600 -0.139 0.000 0.957 9 K CA -0.600 55.613 56.287 -0.124 0.000 0.842 9 K CB 2.001 34.403 32.500 -0.164 0.000 1.099 9 K HN 0.672 nan 8.250 nan 0.000 0.438 10 A N 1.114 123.858 122.820 -0.126 0.000 2.274 10 A HA 0.243 4.563 4.320 0.000 0.000 0.297 10 A C 1.377 178.847 177.584 -0.190 0.000 1.191 10 A CA -0.058 51.913 52.037 -0.109 0.000 0.889 10 A CB 0.151 19.133 19.000 -0.031 0.000 1.294 10 A HN 0.831 nan 8.150 nan 0.000 0.506 11 S N -1.284 114.332 115.700 -0.139 0.000 2.399 11 S HA -0.250 4.220 4.470 0.000 0.000 0.235 11 S C 0.544 175.096 174.600 -0.079 0.000 1.063 11 S CA 2.086 60.191 58.200 -0.159 0.000 1.070 11 S CB -0.678 62.660 63.200 0.231 0.000 0.904 11 S HN 0.999 nan 8.310 nan 0.000 0.456 12 Y N 4.287 124.546 120.300 -0.067 0.000 2.335 12 Y HA 0.537 5.087 4.550 -0.000 0.000 0.338 12 Y C -2.497 173.362 175.900 -0.068 0.000 0.977 12 Y CA -2.694 55.385 58.100 -0.034 0.000 1.114 12 Y CB 1.930 40.398 38.460 0.012 0.000 1.182 12 Y HN -0.041 nan 8.280 nan 0.000 0.463 13 P HA 0.037 nan 4.420 nan 0.000 0.263 13 P C 1.290 178.404 177.300 -0.310 0.000 1.448 13 P CA 0.223 62.965 63.100 -0.597 0.000 0.983 13 P CB 0.460 31.718 31.700 -0.737 0.000 1.481 14 L N -0.315 120.679 121.223 -0.381 0.000 1.997 14 L HA -0.192 4.148 4.340 0.000 0.000 0.216 14 L C 1.877 178.465 176.870 -0.469 0.000 1.074 14 L CA 2.139 56.690 54.840 -0.481 0.000 0.763 14 L CB -0.730 40.835 42.059 -0.822 0.000 0.890 14 L HN -0.011 nan 8.230 nan 0.000 0.434 15 F N -0.773 119.048 119.950 -0.214 0.000 2.699 15 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 15 F C 2.108 177.914 175.800 0.009 0.000 1.154 15 F CA -0.005 57.865 58.000 -0.216 0.000 1.457 15 F CB -0.070 38.804 39.000 -0.211 0.000 1.106 15 F HN 0.087 nan 8.300 nan 0.000 0.585 16 L N -0.739 120.559 121.223 0.126 0.000 2.558 16 L HA 0.033 4.373 4.340 0.000 0.000 0.225 16 L C 0.147 177.084 176.870 0.111 0.000 1.128 16 L CA -0.016 54.897 54.840 0.122 0.000 0.868 16 L CB -0.442 41.665 42.059 0.080 0.000 1.006 16 L HN -0.084 nan 8.230 nan 0.000 0.454 17 D N -0.293 120.189 120.400 0.136 0.000 2.382 17 D HA -0.040 4.600 4.640 0.000 0.000 0.240 17 D C 0.956 177.346 176.300 0.149 0.000 1.146 17 D CA 0.116 54.195 54.000 0.131 0.000 0.897 17 D CB 1.049 41.948 40.800 0.164 0.000 1.197 17 D HN -0.123 nan 8.370 nan 0.000 0.432 18 Q N 1.154 121.005 119.800 0.085 0.000 2.112 18 Q HA -0.193 4.147 4.340 0.000 0.000 0.206 18 Q C 1.150 177.186 176.000 0.059 0.000 0.987 18 Q CA 1.890 57.733 55.803 0.066 0.000 0.858 18 Q CB -0.057 28.702 28.738 0.035 0.000 0.905 18 Q HN 0.587 nan 8.270 nan 0.000 0.420 19 D N -1.616 118.795 120.400 0.019 0.000 2.178 19 D HA -0.197 4.443 4.640 0.000 0.000 0.202 19 D C 1.463 177.748 176.300 -0.026 0.000 0.974 19 D CA 1.287 55.257 54.000 -0.049 0.000 0.841 19 D CB -0.809 39.899 40.800 -0.153 0.000 0.953 19 D HN 0.464 nan 8.370 nan 0.000 0.478 20 Y N 0.658 121.012 120.300 0.090 0.000 2.243 20 Y HA 0.023 4.573 4.550 -0.000 0.000 0.293 20 Y C 2.659 178.625 175.900 0.110 0.000 1.124 20 Y CA 0.920 59.103 58.100 0.138 0.000 1.159 20 Y CB 0.026 38.635 38.460 0.249 0.000 1.008 20 Y HN -0.124 nan 8.280 nan 0.000 0.527 21 K N 0.416 120.977 120.400 0.267 0.000 2.097 21 K HA -0.208 4.112 4.320 0.000 0.000 0.206 21 K C 1.220 177.887 176.600 0.112 0.000 1.049 21 K CA 2.079 58.466 56.287 0.167 0.000 0.933 21 K CB -0.084 32.496 32.500 0.133 0.000 0.717 21 K HN 0.185 nan 8.250 nan 0.000 0.442 22 D N 0.263 120.719 120.400 0.093 0.000 2.149 22 D HA -0.162 4.478 4.640 0.000 0.000 0.201 22 D C 1.748 178.083 176.300 0.059 0.000 0.972 22 D CA 1.044 55.079 54.000 0.057 0.000 0.835 22 D CB -0.041 40.780 40.800 0.036 0.000 0.966 22 D HN 0.286 nan 8.370 nan 0.000 0.476 23 M N -0.140 119.508 119.600 0.080 0.000 2.132 23 M HA -0.152 4.328 4.480 0.000 0.000 0.263 23 M C 1.369 177.726 176.300 0.095 0.000 1.065 23 M CA 1.051 56.403 55.300 0.087 0.000 1.122 23 M CB 0.086 32.750 32.600 0.107 0.000 1.365 23 M HN -0.028 nan 8.290 nan 0.000 0.411 24 L N 0.858 122.143 121.223 0.104 0.000 2.083 24 L HA -0.060 4.280 4.340 0.000 0.000 0.209 24 L C 2.815 179.715 176.870 0.051 0.000 1.083 24 L CA 2.054 56.939 54.840 0.074 0.000 0.752 24 L CB -1.668 40.433 42.059 0.069 0.000 0.899 24 L HN 0.395 nan 8.230 nan 0.000 0.433 25 A N -1.079 121.768 122.820 0.045 0.000 1.969 25 A HA -0.189 4.131 4.320 0.000 0.000 0.218 25 A C 2.325 179.905 177.584 -0.007 0.000 1.169 25 A CA 1.364 53.413 52.037 0.020 0.000 0.635 25 A CB -0.327 18.685 19.000 0.020 0.000 0.810 25 A HN 0.376 nan 8.150 nan 0.000 0.445 26 K N -0.394 120.008 120.400 0.002 0.000 2.217 26 K HA -0.065 4.255 4.320 0.000 0.000 0.202 26 K C 2.100 178.659 176.600 -0.069 0.000 1.051 26 K CA 1.215 57.479 56.287 -0.039 0.000 0.952 26 K CB -0.043 32.461 32.500 0.006 0.000 0.736 26 K HN 0.493 nan 8.250 nan 0.000 0.453 27 K N 1.607 122.037 120.400 0.049 0.000 2.057 27 K HA -0.164 4.156 4.320 0.000 0.000 0.206 27 K C 2.252 178.887 176.600 0.058 0.000 1.050 27 K CA 1.114 57.499 56.287 0.163 0.000 0.935 27 K CB 0.061 32.656 32.500 0.158 0.000 0.715 27 K HN -0.005 nan 8.250 nan 0.000 0.439 28 R N 0.602 121.105 120.500 0.005 0.000 2.061 28 R HA -0.134 4.206 4.340 0.000 0.000 0.230 28 R C 1.510 177.765 176.300 -0.076 0.000 1.140 28 R CA 2.151 58.242 56.100 -0.015 0.000 0.940 28 R CB -0.295 30.003 30.300 -0.003 0.000 0.839 28 R HN 0.176 nan 8.270 nan 0.000 0.429 29 D N -0.509 119.826 120.400 -0.108 0.000 2.144 29 D HA -0.087 4.553 4.640 0.000 0.000 0.199 29 D C 1.740 177.891 176.300 -0.250 0.000 0.984 29 D CA 1.614 55.530 54.000 -0.140 0.000 0.834 29 D CB -0.332 40.397 40.800 -0.118 0.000 0.955 29 D HN 0.575 nan 8.370 nan 0.000 0.465 30 G N -0.917 107.616 108.800 -0.444 0.000 2.426 30 G HA2 -0.067 3.893 3.960 0.000 0.000 0.214 30 G HA3 -0.067 3.893 3.960 0.000 0.000 0.214 30 G C 1.010 175.318 174.900 -0.986 0.000 1.156 30 G CA 0.124 44.690 45.100 -0.891 0.000 0.802 30 G HN 0.280 nan 8.290 nan 0.000 0.534 31 F N -0.499 119.442 119.950 -0.015 0.000 2.880 31 F HA 0.352 4.879 4.527 0.000 0.000 0.346 31 F C 2.053 177.840 175.800 -0.023 0.000 1.054 31 F CA -0.276 57.713 58.000 -0.018 0.000 1.151 31 F CB 0.661 39.653 39.000 -0.014 0.000 1.066 31 F HN 0.028 nan 8.300 nan 0.000 0.566 32 E N 1.018 121.272 120.200 0.091 0.000 2.371 32 E HA -0.047 4.303 4.350 0.000 0.000 0.194 32 E C 0.017 176.617 176.600 -0.001 0.000 1.012 32 E CA 0.379 56.810 56.400 0.051 0.000 0.860 32 E CB -0.116 29.608 29.700 0.042 0.000 0.811 32 E HN 0.340 nan 8.360 nan 0.000 0.502 33 E N 1.370 121.549 120.200 -0.035 0.000 2.269 33 E HA -0.237 4.113 4.350 0.000 0.000 0.223 33 E C -0.143 176.380 176.600 -0.129 0.000 1.244 33 E CA 0.385 56.733 56.400 -0.087 0.000 0.713 33 E CB -1.318 28.330 29.700 -0.087 0.000 1.178 33 E HN 0.175 nan 8.360 nan 0.000 0.370 34 K N 0.880 121.235 120.400 -0.075 0.000 2.326 34 K HA 0.136 4.456 4.320 0.000 0.000 0.275 34 K C -0.301 176.266 176.600 -0.055 0.000 1.018 34 K CA -0.269 55.999 56.287 -0.032 0.000 0.962 34 K CB 0.447 32.958 32.500 0.018 0.000 0.953 34 K HN 0.007 nan 8.250 nan 0.000 0.475 35 Y N 4.571 124.876 120.300 0.009 0.000 2.597 35 Y HA 0.009 4.559 4.550 -0.000 0.000 0.336 35 Y C -1.449 174.458 175.900 0.012 0.000 1.216 35 Y CA -1.234 56.873 58.100 0.011 0.000 1.463 35 Y CB 0.101 38.572 38.460 0.018 0.000 1.303 35 Y HN 0.598 nan 8.280 nan 0.000 0.576 36 P HA -0.108 nan 4.420 nan 0.000 0.267 36 P C -0.079 177.282 177.300 0.101 0.000 1.200 36 P CA -0.038 63.118 63.100 0.093 0.000 0.772 36 P CB 1.014 32.758 31.700 0.072 0.000 0.855 37 Q N 2.326 122.169 119.800 0.072 0.000 2.181 37 Q HA -0.209 4.131 4.340 0.000 0.000 0.205 37 Q C 1.550 177.591 176.000 0.069 0.000 0.980 37 Q CA 2.286 58.131 55.803 0.070 0.000 0.862 37 Q CB -0.636 28.134 28.738 0.053 0.000 0.905 37 Q HN 0.531 nan 8.270 nan 0.000 0.429 38 D N -0.939 119.497 120.400 0.059 0.000 2.178 38 D HA -0.197 4.443 4.640 0.000 0.000 0.201 38 D C 1.540 177.875 176.300 0.057 0.000 0.980 38 D CA 1.157 55.188 54.000 0.052 0.000 0.842 38 D CB -0.139 40.684 40.800 0.039 0.000 0.948 38 D HN 0.103 nan 8.370 nan 0.000 0.472 39 K N 1.202 121.644 120.400 0.069 0.000 2.062 39 K HA 0.052 4.372 4.320 0.000 0.000 0.205 39 K C 2.284 178.914 176.600 0.050 0.000 1.051 39 K CA 0.516 56.837 56.287 0.056 0.000 0.941 39 K CB -0.498 32.056 32.500 0.091 0.000 0.719 39 K HN 0.183 nan 8.250 nan 0.000 0.440 40 I N 1.052 121.669 120.570 0.078 0.000 2.226 40 I HA -0.279 3.891 4.170 0.000 0.000 0.245 40 I C 1.320 177.519 176.117 0.137 0.000 1.100 40 I CA 1.437 62.791 61.300 0.090 0.000 1.374 40 I CB -0.304 37.753 38.000 0.095 0.000 1.057 40 I HN 0.175 nan 8.210 nan 0.000 0.413 41 D N 0.349 120.823 120.400 0.123 0.000 2.178 41 D HA -0.197 4.443 4.640 0.000 0.000 0.202 41 D C 2.010 178.401 176.300 0.151 0.000 0.974 41 D CA 0.993 55.080 54.000 0.145 0.000 0.841 41 D CB -0.147 40.705 40.800 0.086 0.000 0.953 41 D HN 0.435 nan 8.370 nan 0.000 0.478 42 E N 0.475 120.734 120.200 0.099 0.000 2.046 42 E HA -0.109 4.241 4.350 0.000 0.000 0.190 42 E C 2.027 178.689 176.600 0.104 0.000 0.982 42 E CA 0.598 57.041 56.400 0.072 0.000 0.800 42 E CB 0.243 29.957 29.700 0.023 0.000 0.756 42 E HN -0.019 nan 8.360 nan 0.000 0.449 43 V N 1.073 121.053 119.914 0.111 0.000 2.407 43 V HA -0.218 3.902 4.120 0.000 0.000 0.248 43 V C 2.114 178.310 176.094 0.170 0.000 1.055 43 V CA 1.800 64.204 62.300 0.173 0.000 1.049 43 V CB -0.666 31.222 31.823 0.108 0.000 0.662 43 V HN 0.340 nan 8.190 nan 0.000 0.455 44 F N 0.925 120.896 119.950 0.036 0.000 2.102 44 F HA -0.206 4.320 4.527 -0.000 0.000 0.298 44 F C 2.607 178.318 175.800 -0.148 0.000 1.105 44 F CA 1.861 59.843 58.000 -0.029 0.000 1.239 44 F CB -0.300 38.737 39.000 0.062 0.000 0.991 44 F HN 0.079 nan 8.300 nan 0.000 0.474 45 Q N -0.729 119.031 119.800 -0.066 0.000 2.135 45 Q HA -0.267 4.073 4.340 0.000 0.000 0.204 45 Q C 2.048 177.877 176.000 -0.285 0.000 0.981 45 Q CA 1.923 57.596 55.803 -0.217 0.000 0.856 45 Q CB -1.209 27.510 28.738 -0.031 0.000 0.902 45 Q HN 0.737 nan 8.270 nan 0.000 0.425 46 W N 1.940 123.051 121.300 -0.316 0.000 2.388 46 W HA -0.152 4.508 4.660 0.000 0.000 0.294 46 W C 2.002 178.234 176.519 -0.478 0.000 1.212 46 W CA 2.403 59.583 57.345 -0.275 0.000 1.271 46 W CB -0.422 28.953 29.460 -0.140 0.000 1.126 46 W HN 0.182 nan 8.180 nan 0.000 0.535 47 T N -3.165 110.823 114.554 -0.942 0.000 3.155 47 T HA -0.057 4.293 4.350 0.000 0.000 0.264 47 T C 1.396 175.286 174.700 -1.349 0.000 1.160 47 T CA 1.586 62.629 62.100 -1.762 0.000 1.075 47 T CB -0.442 67.640 68.868 -1.309 0.000 0.921 47 T HN 0.067 nan 8.240 nan 0.000 0.533 48 T N 2.066 115.938 114.554 -1.135 0.000 3.040 48 T HA 0.125 4.475 4.350 0.000 0.000 0.252 48 T C 1.165 175.484 174.700 -0.634 0.000 1.064 48 T CA 0.768 62.153 62.100 -1.191 0.000 1.110 48 T CB -0.038 68.012 68.868 -1.363 0.000 0.921 48 T HN 0.801 nan 8.240 nan 0.000 0.480 49 T N 0.213 114.480 114.554 -0.480 0.000 2.734 49 T HA 0.224 4.574 4.350 0.000 0.000 0.314 49 T C 1.078 175.678 174.700 -0.165 0.000 1.057 49 T CA -0.228 61.718 62.100 -0.256 0.000 1.047 49 T CB 0.905 69.683 68.868 -0.150 0.000 0.991 49 T HN 0.010 nan 8.240 nan 0.000 0.540 50 K N -0.204 120.142 120.400 -0.090 0.000 2.296 50 K HA -0.034 4.286 4.320 0.000 0.000 0.200 50 K C 2.371 178.952 176.600 -0.032 0.000 1.048 50 K CA 0.855 57.108 56.287 -0.057 0.000 0.966 50 K CB -0.040 32.436 32.500 -0.040 0.000 0.754 50 K HN 0.851 nan 8.250 nan 0.000 0.466 51 E N -0.074 120.125 120.200 -0.003 0.000 2.047 51 E HA -0.246 4.104 4.350 0.000 0.000 0.191 51 E C 1.772 178.385 176.600 0.023 0.000 0.987 51 E CA 1.135 57.573 56.400 0.063 0.000 0.799 51 E CB -0.180 29.627 29.700 0.178 0.000 0.752 51 E HN 0.337 nan 8.360 nan 0.000 0.449 52 Y N 1.387 121.502 120.300 -0.309 0.000 2.224 52 Y HA -0.225 4.325 4.550 0.000 0.000 0.289 52 Y C 2.391 178.132 175.900 -0.266 0.000 1.146 52 Y CA 2.210 59.975 58.100 -0.558 0.000 1.182 52 Y CB -0.112 37.706 38.460 -1.070 0.000 0.983 52 Y HN 0.148 nan 8.280 nan 0.000 0.524 53 Q N -0.122 119.657 119.800 -0.035 0.000 2.167 53 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 53 Q C 1.785 177.833 176.000 0.080 0.000 0.970 53 Q CA 1.615 57.442 55.803 0.039 0.000 0.855 53 Q CB 0.064 28.806 28.738 0.008 0.000 0.911 53 Q HN 0.446 nan 8.270 nan 0.000 0.438 54 E N 0.418 120.621 120.200 0.005 0.000 2.047 54 E HA -0.167 4.183 4.350 0.000 0.000 0.191 54 E C 2.031 178.661 176.600 0.049 0.000 0.987 54 E CA 0.590 57.008 56.400 0.029 0.000 0.799 54 E CB -0.311 29.396 29.700 0.012 0.000 0.752 54 E HN 0.280 nan 8.360 nan 0.000 0.449 55 L N 2.170 123.373 121.223 -0.033 0.000 2.012 55 L HA -0.179 4.161 4.340 0.000 0.000 0.210 55 L C 2.113 178.919 176.870 -0.106 0.000 1.073 55 L CA 1.546 56.339 54.840 -0.078 0.000 0.748 55 L CB -1.348 40.615 42.059 -0.161 0.000 0.891 55 L HN 0.150 nan 8.230 nan 0.000 0.431 56 N N -0.283 118.300 118.700 -0.195 0.000 2.069 56 N HA -0.239 4.501 4.740 0.000 0.000 0.191 56 N C 1.773 177.310 175.510 0.045 0.000 1.031 56 N CA 1.574 54.528 53.050 -0.161 0.000 0.852 56 N CB -0.323 38.064 38.487 -0.167 0.000 1.018 56 N HN 0.273 nan 8.380 nan 0.000 0.423 57 F N 0.871 120.863 119.950 0.071 0.000 2.699 57 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 57 F C 2.125 177.952 175.800 0.046 0.000 1.154 57 F CA 0.492 58.542 58.000 0.083 0.000 1.457 57 F CB 0.032 39.017 39.000 -0.025 0.000 1.106 57 F HN 0.161 nan 8.300 nan 0.000 0.585 58 Q N -0.495 119.399 119.800 0.156 0.000 2.360 58 Q HA 0.073 4.413 4.340 0.000 0.000 0.202 58 Q C 0.498 176.532 176.000 0.056 0.000 0.915 58 Q CA -0.093 55.764 55.803 0.090 0.000 0.943 58 Q CB 0.260 29.033 28.738 0.058 0.000 1.064 58 Q HN 0.224 nan 8.270 nan 0.000 0.511 59 R N 1.006 121.540 120.500 0.058 0.000 2.590 59 R HA -0.045 4.295 4.340 0.000 0.000 0.274 59 R C 0.817 177.139 176.300 0.036 0.000 1.061 59 R CA 0.673 56.788 56.100 0.025 0.000 1.081 59 R CB 0.388 30.687 30.300 -0.002 0.000 0.984 59 R HN 0.353 nan 8.270 nan 0.000 0.448 60 E N 1.335 121.547 120.200 0.019 0.000 2.665 60 E HA 0.139 4.489 4.350 0.000 0.000 0.225 60 E C 0.410 177.019 176.600 0.015 0.000 0.922 60 E CA 0.129 56.543 56.400 0.024 0.000 1.242 60 E CB 0.811 30.525 29.700 0.023 0.000 1.197 60 E HN 0.514 nan 8.360 nan 0.000 0.581 61 A N 0.767 123.587 122.820 0.001 0.000 2.141 61 A HA 0.335 4.655 4.320 0.000 0.000 0.201 61 A C 0.458 178.030 177.584 -0.020 0.000 1.344 61 A CA -0.185 51.848 52.037 -0.006 0.000 0.971 61 A CB 0.431 19.424 19.000 -0.012 0.000 1.035 61 A HN 0.166 nan 8.150 nan 0.000 0.480 62 L N 1.124 122.324 121.223 -0.038 0.000 2.334 62 L HA 0.642 4.982 4.340 0.000 0.000 0.277 62 L C -0.839 175.986 176.870 -0.075 0.000 1.075 62 L CA 0.552 55.350 54.840 -0.069 0.000 0.804 62 L CB 1.732 43.730 42.059 -0.102 0.000 1.174 62 L HN 0.061 nan 8.230 nan 0.000 0.438 63 T N 4.374 118.880 114.554 -0.080 0.000 2.841 63 T HA 0.638 4.988 4.350 0.000 0.000 0.285 63 T C -1.069 173.554 174.700 -0.128 0.000 0.991 63 T CA -0.397 61.663 62.100 -0.067 0.000 0.966 63 T CB 1.407 70.286 68.868 0.020 0.000 0.962 63 T HN 0.352 nan 8.240 nan 0.000 0.438 64 V N 4.284 124.096 119.914 -0.170 0.000 2.531 64 V HA 0.460 4.580 4.120 0.000 0.000 0.301 64 V C -0.354 175.666 176.094 -0.124 0.000 1.034 64 V CA -1.220 60.947 62.300 -0.222 0.000 0.865 64 V CB 1.413 32.971 31.823 -0.442 0.000 0.995 64 V HN 0.991 nan 8.190 nan 0.000 0.424 65 N N 2.612 121.230 118.700 -0.136 0.000 2.610 65 N HA -0.113 4.627 4.740 0.000 0.000 0.271 65 N C -2.697 172.744 175.510 -0.115 0.000 1.146 65 N CA 0.189 53.163 53.050 -0.126 0.000 0.711 65 N CB -0.915 37.554 38.487 -0.029 0.000 0.883 65 N HN 0.455 nan 8.380 nan 0.000 0.548 66 P HA 0.256 nan 4.420 nan 0.000 0.272 66 P C -0.193 177.100 177.300 -0.012 0.000 1.223 66 P CA -0.227 62.902 63.100 0.048 0.000 0.784 66 P CB 0.711 32.394 31.700 -0.028 0.000 0.923 67 A N 2.587 125.539 122.820 0.219 0.000 3.106 67 A HA 0.419 4.739 4.320 0.000 0.000 0.306 67 A C 0.120 177.801 177.584 0.162 0.000 1.192 67 A CA -0.074 52.073 52.037 0.184 0.000 0.994 67 A CB -0.763 18.363 19.000 0.210 0.000 1.107 67 A HN 0.590 nan 8.150 nan 0.000 0.585 68 K N -1.919 118.493 120.400 0.019 0.000 2.711 68 K HA 0.784 5.104 4.320 0.000 0.000 0.294 68 K C -0.847 175.713 176.600 -0.066 0.000 1.037 68 K CA -0.427 55.869 56.287 0.016 0.000 0.858 68 K CB 0.728 33.175 32.500 -0.089 0.000 1.521 68 K HN 0.594 nan 8.250 nan 0.000 0.386 69 A N 0.092 122.913 122.820 0.001 0.000 2.475 69 A HA 0.774 5.094 4.320 0.000 0.000 0.281 69 A C -0.581 177.028 177.584 0.042 0.000 1.263 69 A CA -0.438 51.558 52.037 -0.069 0.000 0.776 69 A CB 0.633 19.513 19.000 -0.201 0.000 1.347 69 A HN 1.166 nan 8.150 nan 0.000 0.443 70 C N -1.171 118.143 119.300 0.024 0.000 2.382 70 C HA 0.519 4.979 4.460 0.000 0.000 0.363 70 C C 1.508 176.525 174.990 0.046 0.000 1.213 70 C CA -0.332 58.712 59.018 0.044 0.000 2.363 70 C CB 0.325 28.109 27.740 0.074 0.000 2.397 70 C HN 0.933 nan 8.230 nan 0.000 0.573 71 Q N 1.890 121.694 119.800 0.007 0.000 2.047 71 Q HA -0.186 4.154 4.340 0.000 0.000 0.211 71 Q C -0.242 175.753 176.000 -0.009 0.000 1.005 71 Q CA 2.763 58.563 55.803 -0.004 0.000 0.866 71 Q CB -1.427 27.291 28.738 -0.034 0.000 0.938 71 Q HN 0.750 nan 8.270 nan 0.000 0.414 72 P HA -0.202 nan 4.420 nan 0.000 0.217 72 P C 1.523 178.546 177.300 -0.461 0.000 1.148 72 P CA 1.114 64.102 63.100 -0.187 0.000 0.828 72 P CB -0.155 31.514 31.700 -0.051 0.000 0.783 73 L N 0.229 121.151 121.223 -0.501 0.000 2.012 73 L HA -0.048 4.292 4.340 0.000 0.000 0.210 73 L C 2.585 179.621 176.870 0.277 0.000 1.073 73 L CA 2.513 57.159 54.840 -0.322 0.000 0.748 73 L CB -1.469 40.530 42.059 -0.100 0.000 0.891 73 L HN -0.038 nan 8.230 nan 0.000 0.431 74 G N -1.433 107.595 108.800 0.380 0.000 2.422 74 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 74 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 74 G C 1.585 176.731 174.900 0.411 0.000 1.140 74 G CA 0.651 46.172 45.100 0.701 0.000 0.775 74 G HN 0.610 nan 8.290 nan 0.000 0.545 75 A N 0.296 123.208 122.820 0.154 0.000 1.902 75 A HA 0.082 4.402 4.320 0.000 0.000 0.217 75 A C 2.592 180.179 177.584 0.006 0.000 1.181 75 A CA 1.741 53.787 52.037 0.015 0.000 0.623 75 A CB -0.620 18.370 19.000 -0.016 0.000 0.818 75 A HN 0.232 nan 8.150 nan 0.000 0.443 76 V N -0.219 119.726 119.914 0.052 0.000 2.295 76 V HA -0.241 3.879 4.120 0.000 0.000 0.246 76 V C 2.503 178.645 176.094 0.080 0.000 1.049 76 V CA 1.992 64.349 62.300 0.096 0.000 1.024 76 V CB -0.822 31.108 31.823 0.180 0.000 0.648 76 V HN 0.592 nan 8.190 nan 0.000 0.447 77 L N -0.098 121.210 121.223 0.141 0.000 2.083 77 L HA -0.175 4.165 4.340 0.000 0.000 0.209 77 L C 2.446 179.339 176.870 0.039 0.000 1.083 77 L CA 2.258 57.090 54.840 -0.013 0.000 0.752 77 L CB -0.897 41.181 42.059 0.032 0.000 0.899 77 L HN 0.478 nan 8.230 nan 0.000 0.433 78 C N -0.517 118.711 119.300 -0.119 0.000 2.436 78 C HA -0.110 4.350 4.460 0.000 0.000 0.277 78 C C 3.005 177.957 174.990 -0.063 0.000 1.241 78 C CA 0.951 59.661 59.018 -0.512 0.000 1.721 78 C CB -1.373 25.651 27.740 -1.193 0.000 2.043 78 C HN 0.685 nan 8.230 nan 0.000 0.472 79 A N 0.055 122.859 122.820 -0.027 0.000 2.019 79 A HA -0.045 4.275 4.320 0.000 0.000 0.219 79 A C 2.115 179.788 177.584 0.149 0.000 1.164 79 A CA 1.592 53.684 52.037 0.091 0.000 0.644 79 A CB -0.693 18.316 19.000 0.014 0.000 0.805 79 A HN 0.713 nan 8.150 nan 0.000 0.449 80 L N -0.787 120.464 121.223 0.047 0.000 2.362 80 L HA -0.063 4.277 4.340 0.000 0.000 0.219 80 L C 2.333 179.174 176.870 -0.049 0.000 1.134 80 L CA 0.610 55.447 54.840 -0.005 0.000 0.807 80 L CB -0.298 41.693 42.059 -0.112 0.000 0.927 80 L HN 0.490 nan 8.230 nan 0.000 0.447 81 G N -0.930 107.835 108.800 -0.058 0.000 3.026 81 G HA2 0.036 3.996 3.960 0.000 0.000 0.208 81 G HA3 0.036 3.996 3.960 0.000 0.000 0.208 81 G C 0.101 174.726 174.900 -0.458 0.000 1.169 81 G CA -0.201 44.743 45.100 -0.261 0.000 0.788 81 G HN 0.072 nan 8.290 nan 0.000 0.533 82 F N -0.245 119.665 119.950 -0.067 0.000 2.492 82 F HA 0.363 4.890 4.527 -0.000 0.000 0.327 82 F C 0.508 176.254 175.800 -0.090 0.000 1.079 82 F CA -1.415 56.539 58.000 -0.077 0.000 0.967 82 F CB 1.606 40.554 39.000 -0.087 0.000 1.169 82 F HN -0.091 nan 8.300 nan 0.000 0.472 83 E N 3.513 123.742 120.200 0.048 0.000 2.498 83 E HA -0.043 4.307 4.350 0.000 0.000 0.252 83 E C -0.223 176.316 176.600 -0.103 0.000 1.025 83 E CA 0.198 56.579 56.400 -0.032 0.000 0.938 83 E CB 0.139 29.810 29.700 -0.047 0.000 0.947 83 E HN 0.570 nan 8.360 nan 0.000 0.478 84 K N 1.983 122.263 120.400 -0.200 0.000 3.156 84 K HA -0.204 4.116 4.320 0.000 0.000 0.266 84 K C -0.411 175.835 176.600 -0.591 0.000 0.966 84 K CA 1.021 56.919 56.287 -0.648 0.000 0.719 84 K CB -1.883 30.291 32.500 -0.543 0.000 1.333 84 K HN 0.672 nan 8.250 nan 0.000 0.468 85 T N -2.116 112.298 114.554 -0.234 0.000 2.855 85 T HA 0.634 4.984 4.350 0.000 0.000 0.281 85 T C -0.276 174.505 174.700 0.134 0.000 1.007 85 T CA -1.159 60.908 62.100 -0.055 0.000 1.009 85 T CB 1.824 70.699 68.868 0.013 0.000 0.983 85 T HN 0.194 nan 8.240 nan 0.000 0.455 86 M N 3.817 123.527 119.600 0.184 0.000 2.129 86 M HA 0.532 5.012 4.480 0.000 0.000 0.348 86 M C -2.817 173.605 176.300 0.202 0.000 1.116 86 M CA -2.464 52.995 55.300 0.264 0.000 1.022 86 M CB 1.360 34.153 32.600 0.321 0.000 1.599 86 M HN 0.320 nan 8.290 nan 0.000 0.449 87 P HA 0.163 nan 4.420 nan 0.000 0.276 87 P C -2.055 175.386 177.300 0.234 0.000 1.235 87 P CA 0.185 63.382 63.100 0.162 0.000 0.772 87 P CB 0.210 31.989 31.700 0.132 0.000 0.871 88 Y N 3.371 123.725 120.300 0.091 0.000 2.361 88 Y HA 0.502 5.053 4.550 0.000 0.000 0.337 88 Y C -1.148 174.827 175.900 0.125 0.000 0.965 88 Y CA -0.878 57.290 58.100 0.113 0.000 1.091 88 Y CB 1.429 39.954 38.460 0.108 0.000 1.182 88 Y HN 0.030 nan 8.280 nan 0.000 0.450 89 V N 5.883 125.875 119.914 0.129 0.000 2.378 89 V HA 0.159 4.279 4.120 0.000 0.000 0.288 89 V C -0.666 175.510 176.094 0.137 0.000 1.016 89 V CA -0.769 61.650 62.300 0.198 0.000 0.840 89 V CB 0.872 32.846 31.823 0.251 0.000 0.994 89 V HN 0.770 nan 8.190 nan 0.000 0.431 90 H N 3.699 122.883 119.070 0.191 0.000 2.800 90 H HA 0.646 5.202 4.556 0.000 0.000 0.291 90 H C 0.410 175.809 175.328 0.118 0.000 1.076 90 H CA 1.348 57.505 56.048 0.182 0.000 1.452 90 H CB 0.534 30.431 29.762 0.225 0.000 1.461 90 H HN 1.016 nan 8.280 nan 0.000 0.488 91 G N 2.396 110.982 108.800 -0.356 0.000 2.302 91 G HA2 0.039 3.999 3.960 0.000 0.000 0.264 91 G HA3 0.039 3.999 3.960 0.000 0.000 0.264 91 G C -0.961 173.850 174.900 -0.148 0.000 1.335 91 G CA -0.468 44.492 45.100 -0.233 0.000 0.982 91 G HN 0.854 nan 8.290 nan 0.000 0.473 92 S N -0.062 115.585 115.700 -0.088 0.000 2.580 92 S HA 0.394 4.864 4.470 0.000 0.000 0.274 92 S C 1.440 175.979 174.600 -0.102 0.000 1.329 92 S CA 0.576 58.724 58.200 -0.087 0.000 1.036 92 S CB 1.551 64.711 63.200 -0.067 0.000 0.919 92 S HN 1.088 nan 8.310 nan 0.000 0.515 93 Q N 2.062 121.794 119.800 -0.114 0.000 2.224 93 Q HA 0.016 4.356 4.340 0.000 0.000 0.203 93 Q C 1.915 177.796 176.000 -0.197 0.000 0.970 93 Q CA 1.187 56.908 55.803 -0.136 0.000 0.865 93 Q CB -0.986 27.682 28.738 -0.115 0.000 0.922 93 Q HN 0.856 nan 8.270 nan 0.000 0.445 94 G N 1.512 110.184 108.800 -0.213 0.000 2.469 94 G HA2 -0.330 3.630 3.960 0.000 0.000 0.219 94 G HA3 -0.330 3.630 3.960 0.000 0.000 0.219 94 G C 1.456 176.118 174.900 -0.398 0.000 1.150 94 G CA 1.153 46.059 45.100 -0.324 0.000 0.763 94 G HN 0.517 nan 8.290 nan 0.000 0.561 95 C N -0.183 118.911 119.300 -0.344 0.000 2.398 95 C HA -0.065 4.395 4.460 0.000 0.000 0.276 95 C C 3.060 177.367 174.990 -1.138 0.000 1.222 95 C CA 0.843 59.461 59.018 -0.667 0.000 1.746 95 C CB -1.159 26.303 27.740 -0.463 0.000 2.039 95 C HN 0.298 nan 8.230 nan 0.000 0.470 96 V N 1.359 120.954 119.914 -0.531 0.000 2.343 96 V HA -0.198 3.922 4.120 0.000 0.000 0.247 96 V C 2.748 178.774 176.094 -0.114 0.000 1.051 96 V CA 2.167 64.362 62.300 -0.176 0.000 1.036 96 V CB -1.304 30.515 31.823 -0.007 0.000 0.654 96 V HN 0.614 nan 8.190 nan 0.000 0.451 97 A N -1.264 121.439 122.820 -0.195 0.000 1.908 97 A HA -0.248 4.072 4.320 0.000 0.000 0.218 97 A C 2.121 179.675 177.584 -0.050 0.000 1.181 97 A CA 1.951 53.901 52.037 -0.145 0.000 0.627 97 A CB -0.788 18.052 19.000 -0.267 0.000 0.818 97 A HN 0.628 nan 8.150 nan 0.000 0.445 98 Y N -1.913 118.280 120.300 -0.179 0.000 2.200 98 Y HA -0.197 4.353 4.550 0.000 0.000 0.290 98 Y C 2.275 178.184 175.900 0.015 0.000 1.137 98 Y CA 0.691 58.711 58.100 -0.134 0.000 1.163 98 Y CB -0.229 38.079 38.460 -0.254 0.000 0.988 98 Y HN 0.332 nan 8.280 nan 0.000 0.518 99 F N 0.227 120.296 119.950 0.198 0.000 2.102 99 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 99 F C 2.309 178.264 175.800 0.258 0.000 1.105 99 F CA 1.074 59.166 58.000 0.153 0.000 1.239 99 F CB -1.019 38.093 39.000 0.187 0.000 0.991 99 F HN -0.049 nan 8.300 nan 0.000 0.474 100 R N -0.043 120.727 120.500 0.451 0.000 2.070 100 R HA -0.113 4.227 4.340 0.000 0.000 0.233 100 R C 2.344 178.845 176.300 0.335 0.000 1.137 100 R CA 1.662 57.990 56.100 0.379 0.000 0.945 100 R CB -1.055 29.383 30.300 0.230 0.000 0.845 100 R HN 0.219 nan 8.270 nan 0.000 0.430 101 S N 0.532 116.388 115.700 0.259 0.000 2.359 101 S HA -0.197 4.273 4.470 0.000 0.000 0.224 101 S C 1.727 176.470 174.600 0.239 0.000 1.035 101 S CA 1.308 59.629 58.200 0.201 0.000 1.018 101 S CB -0.477 62.831 63.200 0.180 0.000 0.876 101 S HN 0.320 nan 8.310 nan 0.000 0.448 102 Y N 1.016 121.406 120.300 0.150 0.000 2.128 102 Y HA -0.165 4.385 4.550 -0.000 0.000 0.284 102 Y C 1.878 177.995 175.900 0.361 0.000 1.154 102 Y CA 1.282 59.482 58.100 0.166 0.000 1.149 102 Y CB -0.460 38.059 38.460 0.099 0.000 0.976 102 Y HN 0.203 nan 8.280 nan 0.000 0.505 103 F N -0.070 120.201 119.950 0.535 0.000 2.325 103 F HA -0.142 4.385 4.527 0.000 0.000 0.299 103 F C 2.122 178.186 175.800 0.440 0.000 1.090 103 F CA 0.828 59.161 58.000 0.556 0.000 1.392 103 F CB -0.802 38.523 39.000 0.541 0.000 1.053 103 F HN 0.089 nan 8.300 nan 0.000 0.521 104 N N 0.436 119.408 118.700 0.454 0.000 2.084 104 N HA -0.132 4.608 4.740 0.000 0.000 0.190 104 N C 1.964 177.565 175.510 0.153 0.000 1.030 104 N CA 1.079 54.281 53.050 0.252 0.000 0.849 104 N CB -0.397 38.175 38.487 0.141 0.000 1.012 104 N HN 0.263 nan 8.380 nan 0.000 0.423 105 R N -0.407 120.141 120.500 0.080 0.000 2.152 105 R HA -0.113 4.227 4.340 0.000 0.000 0.232 105 R C 1.863 178.254 176.300 0.152 0.000 1.117 105 R CA 1.017 57.070 56.100 -0.077 0.000 0.981 105 R CB -0.280 29.662 30.300 -0.596 0.000 0.870 105 R HN 0.460 nan 8.270 nan 0.000 0.451 106 H N -0.356 118.842 119.070 0.213 0.000 2.329 106 H HA 0.018 4.574 4.556 -0.000 0.000 0.306 106 H C 1.352 176.521 175.328 -0.265 0.000 1.062 106 H CA 1.406 57.445 56.048 -0.015 0.000 1.364 106 H CB -0.070 29.621 29.762 -0.118 0.000 1.409 106 H HN 0.032 nan 8.280 nan 0.000 0.519 107 F N 0.414 120.303 119.950 -0.101 0.000 2.710 107 F HA 0.195 4.722 4.527 0.000 0.000 0.298 107 F C 0.721 176.190 175.800 -0.551 0.000 1.137 107 F CA 0.452 58.131 58.000 -0.535 0.000 1.444 107 F CB 0.209 39.111 39.000 -0.163 0.000 1.111 107 F HN 0.015 nan 8.300 nan 0.000 0.580 108 R N 1.084 121.527 120.500 -0.094 0.000 3.416 108 R HA -0.169 4.171 4.340 0.000 0.000 0.263 108 R C -0.904 175.421 176.300 0.042 0.000 1.053 108 R CA 0.438 56.507 56.100 -0.051 0.000 0.705 108 R CB -1.920 28.320 30.300 -0.100 0.000 1.124 108 R HN 0.262 nan 8.270 nan 0.000 0.444 109 E N -0.335 119.915 120.200 0.082 0.000 2.446 109 E HA 0.435 4.785 4.350 0.000 0.000 0.276 109 E C -2.539 174.116 176.600 0.092 0.000 0.969 109 E CA -2.037 54.416 56.400 0.089 0.000 0.800 109 E CB 1.886 31.628 29.700 0.070 0.000 1.341 109 E HN -0.110 nan 8.360 nan 0.000 0.460 110 P HA 0.192 nan 4.420 nan 0.000 0.278 110 P C -0.476 176.886 177.300 0.102 0.000 1.238 110 P CA -0.416 62.737 63.100 0.088 0.000 0.794 110 P CB 0.779 32.545 31.700 0.110 0.000 0.955 111 V N -0.725 119.255 119.914 0.111 0.000 2.482 111 V HA 0.493 4.613 4.120 0.000 0.000 0.295 111 V C -0.275 175.883 176.094 0.106 0.000 1.026 111 V CA -0.627 61.739 62.300 0.110 0.000 0.856 111 V CB 1.404 33.352 31.823 0.208 0.000 1.001 111 V HN 0.387 nan 8.190 nan 0.000 0.424 112 S N 3.945 119.688 115.700 0.071 0.000 2.475 112 S HA 0.753 5.223 4.470 0.000 0.000 0.281 112 S C -0.380 174.257 174.600 0.061 0.000 1.198 112 S CA -0.410 57.809 58.200 0.031 0.000 1.063 112 S CB 1.007 64.192 63.200 -0.024 0.000 0.972 112 S HN 1.250 nan 8.310 nan 0.000 0.486 113 C N 3.881 123.206 119.300 0.042 0.000 3.181 113 C HA 0.684 5.144 4.460 0.000 0.000 0.362 113 C C -0.868 174.139 174.990 0.028 0.000 1.125 113 C CA -0.506 58.566 59.018 0.089 0.000 1.265 113 C CB 0.129 27.983 27.740 0.190 0.000 1.632 113 C HN 0.855 nan 8.230 nan 0.000 0.525 114 V N 2.488 122.414 119.914 0.020 0.000 3.113 114 V HA 0.997 5.117 4.120 0.000 0.000 0.316 114 V C -0.215 175.777 176.094 -0.170 0.000 1.125 114 V CA -0.262 62.000 62.300 -0.064 0.000 1.026 114 V CB 1.631 33.429 31.823 -0.041 0.000 1.080 114 V HN 1.089 nan 8.190 nan 0.000 0.444 115 S N -0.416 115.141 115.700 -0.238 0.000 2.667 115 S HA 0.625 5.095 4.470 0.000 0.000 0.292 115 S C -0.745 173.627 174.600 -0.381 0.000 1.126 115 S CA 0.061 58.084 58.200 -0.296 0.000 0.881 115 S CB 1.925 65.038 63.200 -0.144 0.000 1.132 115 S HN 1.102 nan 8.310 nan 0.000 0.492 116 D N 0.247 120.461 120.400 -0.309 0.000 2.559 116 D HA 0.264 4.904 4.640 0.000 0.000 0.234 116 D C -0.202 176.052 176.300 -0.077 0.000 1.226 116 D CA -0.299 53.613 54.000 -0.146 0.000 0.830 116 D CB -0.335 40.498 40.800 0.054 0.000 1.028 116 D HN 0.329 nan 8.370 nan 0.000 0.492 117 S N 0.249 115.890 115.700 -0.100 0.000 3.292 117 S HA -0.265 4.205 4.470 0.000 0.000 0.360 117 S C 0.193 174.756 174.600 -0.062 0.000 0.930 117 S CA 0.183 58.338 58.200 -0.075 0.000 1.317 117 S CB -1.498 61.671 63.200 -0.052 0.000 0.920 117 S HN 0.531 nan 8.310 nan 0.000 0.540 118 M N 1.960 121.510 119.600 -0.084 0.000 2.146 118 M HA 0.147 4.627 4.480 0.000 0.000 0.352 118 M C 0.859 177.128 176.300 -0.052 0.000 1.343 118 M CA 0.449 55.708 55.300 -0.067 0.000 1.115 118 M CB 0.771 33.305 32.600 -0.110 0.000 1.657 118 M HN 0.347 nan 8.290 nan 0.000 0.471 119 T N 1.108 115.642 114.554 -0.033 0.000 2.923 119 T HA 0.120 4.470 4.350 0.000 0.000 0.281 119 T C 1.100 175.777 174.700 -0.039 0.000 0.995 119 T CA -0.687 61.394 62.100 -0.033 0.000 0.985 119 T CB 1.439 70.295 68.868 -0.021 0.000 1.114 119 T HN 0.734 nan 8.240 nan 0.000 0.548 120 E N 0.559 120.729 120.200 -0.048 0.000 2.187 120 E HA -0.245 4.105 4.350 0.000 0.000 0.199 120 E C 1.526 178.054 176.600 -0.121 0.000 1.004 120 E CA 1.747 58.104 56.400 -0.072 0.000 0.813 120 E CB 0.086 29.747 29.700 -0.066 0.000 0.736 120 E HN 0.655 nan 8.360 nan 0.000 0.468 121 D N -0.522 119.814 120.400 -0.107 0.000 2.249 121 D HA -0.081 4.559 4.640 0.000 0.000 0.205 121 D C 1.670 177.886 176.300 -0.140 0.000 0.962 121 D CA 0.987 54.863 54.000 -0.206 0.000 0.860 121 D CB -0.131 40.663 40.800 -0.010 0.000 0.955 121 D HN 0.201 nan 8.370 nan 0.000 0.505 122 A N 0.787 123.604 122.820 -0.005 0.000 2.119 122 A HA 0.355 4.675 4.320 0.000 0.000 0.216 122 A C 2.338 179.939 177.584 0.028 0.000 1.152 122 A CA 1.157 53.231 52.037 0.062 0.000 0.708 122 A CB -0.366 18.664 19.000 0.050 0.000 0.805 122 A HN 0.336 nan 8.150 nan 0.000 0.460 123 A N -0.590 122.207 122.820 -0.038 0.000 1.930 123 A HA 0.121 4.441 4.320 0.000 0.000 0.215 123 A C 2.059 179.609 177.584 -0.057 0.000 1.176 123 A CA 1.583 53.603 52.037 -0.029 0.000 0.632 123 A CB -0.468 18.503 19.000 -0.047 0.000 0.819 123 A HN 0.321 nan 8.150 nan 0.000 0.445 124 V N -1.621 118.184 119.914 -0.182 0.000 2.535 124 V HA -0.059 4.061 4.120 0.000 0.000 0.246 124 V C 1.898 177.881 176.094 -0.185 0.000 1.045 124 V CA 1.330 63.464 62.300 -0.276 0.000 1.058 124 V CB -0.745 30.756 31.823 -0.537 0.000 0.689 124 V HN 0.530 nan 8.190 nan 0.000 0.461 125 F N 0.556 120.526 119.950 0.033 0.000 2.714 125 F HA 0.578 5.105 4.527 0.000 0.000 0.294 125 F C 1.344 177.178 175.800 0.057 0.000 1.120 125 F CA 0.167 58.186 58.000 0.032 0.000 1.398 125 F CB -0.402 38.604 39.000 0.009 0.000 1.120 125 F HN 0.236 nan 8.300 nan 0.000 0.589 126 G N -0.328 108.618 108.800 0.242 0.000 2.650 126 G HA2 0.136 4.096 3.960 0.000 0.000 0.686 126 G HA3 0.136 4.096 3.960 0.000 0.000 0.686 126 G C 0.477 175.518 174.900 0.235 0.000 1.205 126 G CA -0.691 44.573 45.100 0.273 0.000 0.781 126 G HN 0.508 nan 8.290 nan 0.000 0.648 127 G N -0.364 108.662 108.800 0.377 0.000 3.379 127 G HA2 0.353 4.313 3.960 0.000 0.000 0.253 127 G HA3 0.353 4.313 3.960 0.000 0.000 0.253 127 G C 1.090 176.043 174.900 0.088 0.000 1.262 127 G CA 1.193 46.484 45.100 0.319 0.000 0.959 127 G HN 0.936 nan 8.290 nan 0.000 0.524 128 Q N 0.229 119.734 119.800 -0.492 0.000 2.084 128 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 128 Q C 2.388 178.104 176.000 -0.473 0.000 0.978 128 Q CA 1.808 56.983 55.803 -1.047 0.000 0.844 128 Q CB -0.171 27.873 28.738 -1.157 0.000 0.898 128 Q HN 0.408 nan 8.270 nan 0.000 0.426 129 Q N 0.232 119.864 119.800 -0.279 0.000 2.079 129 Q HA -0.060 4.280 4.340 0.000 0.000 0.200 129 Q C 1.620 177.522 176.000 -0.162 0.000 0.974 129 Q CA 1.953 57.624 55.803 -0.220 0.000 0.840 129 Q CB -0.267 28.395 28.738 -0.126 0.000 0.898 129 Q HN 0.557 nan 8.270 nan 0.000 0.430 130 N N -0.533 118.137 118.700 -0.050 0.000 2.149 130 N HA -0.190 4.550 4.740 0.000 0.000 0.188 130 N C 1.608 177.170 175.510 0.087 0.000 1.019 130 N CA 1.589 54.660 53.050 0.035 0.000 0.857 130 N CB -0.149 38.390 38.487 0.087 0.000 0.997 130 N HN 0.303 nan 8.380 nan 0.000 0.426 131 M N 1.697 121.346 119.600 0.082 0.000 2.229 131 M HA -0.061 4.419 4.480 0.000 0.000 0.264 131 M C 1.729 177.958 176.300 -0.118 0.000 1.063 131 M CA 1.461 56.809 55.300 0.080 0.000 1.114 131 M CB 0.097 32.691 32.600 -0.009 0.000 1.387 131 M HN -0.085 nan 8.290 nan 0.000 0.420 132 K N -0.083 120.106 120.400 -0.350 0.000 1.984 132 K HA -0.127 4.193 4.320 0.000 0.000 0.209 132 K C 1.683 177.912 176.600 -0.618 0.000 1.046 132 K CA 1.684 57.500 56.287 -0.786 0.000 0.934 132 K CB -0.372 31.283 32.500 -1.409 0.000 0.717 132 K HN 0.333 nan 8.250 nan 0.000 0.438 133 D N 0.085 120.254 120.400 -0.385 0.000 2.117 133 D HA -0.108 4.532 4.640 0.000 0.000 0.198 133 D C 2.002 178.354 176.300 0.086 0.000 0.982 133 D CA 1.362 55.345 54.000 -0.028 0.000 0.828 133 D CB -0.532 40.276 40.800 0.013 0.000 0.967 133 D HN 0.367 nan 8.370 nan 0.000 0.464 134 G N 1.054 109.925 108.800 0.119 0.000 2.440 134 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 134 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 134 G C 1.808 176.930 174.900 0.369 0.000 1.154 134 G CA 0.288 45.554 45.100 0.277 0.000 0.767 134 G HN 0.242 nan 8.290 nan 0.000 0.552 135 L N -0.283 121.061 121.223 0.202 0.000 2.141 135 L HA -0.066 4.274 4.340 0.000 0.000 0.209 135 L C 2.977 179.890 176.870 0.072 0.000 1.094 135 L CA 1.250 56.121 54.840 0.052 0.000 0.763 135 L CB -0.307 41.698 42.059 -0.090 0.000 0.908 135 L HN 0.336 nan 8.230 nan 0.000 0.437 136 Q N 0.090 119.963 119.800 0.122 0.000 2.049 136 Q HA -0.184 4.156 4.340 0.000 0.000 0.198 136 Q C 1.933 177.982 176.000 0.082 0.000 0.971 136 Q CA 1.484 57.360 55.803 0.120 0.000 0.833 136 Q CB 0.169 29.074 28.738 0.278 0.000 0.896 136 Q HN 0.462 nan 8.270 nan 0.000 0.434 137 N N 0.292 119.064 118.700 0.119 0.000 2.142 137 N HA -0.156 4.584 4.740 0.000 0.000 0.186 137 N C 1.858 177.436 175.510 0.113 0.000 1.023 137 N CA 1.238 54.346 53.050 0.096 0.000 0.852 137 N CB -0.909 37.645 38.487 0.112 0.000 0.998 137 N HN 0.332 nan 8.380 nan 0.000 0.424 138 C N 1.410 120.835 119.300 0.208 0.000 2.446 138 C HA 0.008 4.468 4.460 0.000 0.000 0.277 138 C C 2.586 177.708 174.990 0.221 0.000 1.275 138 C CA 0.790 59.999 59.018 0.318 0.000 1.727 138 C CB -0.820 27.172 27.740 0.420 0.000 2.010 138 C HN 0.420 nan 8.230 nan 0.000 0.486 139 K N 0.413 120.861 120.400 0.079 0.000 2.057 139 K HA -0.059 4.261 4.320 0.000 0.000 0.206 139 K C 2.146 178.723 176.600 -0.039 0.000 1.050 139 K CA 1.609 57.862 56.287 -0.057 0.000 0.935 139 K CB -0.354 31.946 32.500 -0.333 0.000 0.715 139 K HN 0.519 nan 8.250 nan 0.000 0.439 140 A N 0.183 122.978 122.820 -0.041 0.000 1.968 140 A HA -0.076 4.244 4.320 0.000 0.000 0.217 140 A C 2.031 179.570 177.584 -0.076 0.000 1.169 140 A CA 1.890 53.896 52.037 -0.052 0.000 0.638 140 A CB -0.554 18.419 19.000 -0.044 0.000 0.812 140 A HN 0.418 nan 8.150 nan 0.000 0.446 141 T N -1.907 112.567 114.554 -0.133 0.000 2.866 141 T HA 0.026 4.376 4.350 0.000 0.000 0.250 141 T C 1.413 175.849 174.700 -0.440 0.000 1.033 141 T CA 1.271 63.157 62.100 -0.356 0.000 1.145 141 T CB -0.324 68.180 68.868 -0.606 0.000 0.866 141 T HN 0.553 nan 8.240 nan 0.000 0.434 142 Y N 0.935 121.306 120.300 0.118 0.000 2.457 142 Y HA 0.334 4.884 4.550 0.000 0.000 0.263 142 Y C 0.457 176.506 175.900 0.249 0.000 1.164 142 Y CA -0.594 57.606 58.100 0.167 0.000 1.274 142 Y CB -0.100 38.474 38.460 0.191 0.000 1.097 142 Y HN -0.000 nan 8.280 nan 0.000 0.523 143 K N 0.687 121.238 120.400 0.252 0.000 3.730 143 K HA -0.201 4.119 4.320 0.000 0.000 0.276 143 K C -2.872 173.873 176.600 0.242 0.000 0.904 143 K CA 0.139 56.550 56.287 0.207 0.000 0.741 143 K CB -1.183 31.409 32.500 0.153 0.000 1.542 143 K HN 0.301 nan 8.250 nan 0.000 0.446 144 P HA 0.198 nan 4.420 nan 0.000 0.281 144 P C -0.326 177.070 177.300 0.160 0.000 1.281 144 P CA -0.413 62.699 63.100 0.021 0.000 0.811 144 P CB 0.931 32.695 31.700 0.107 0.000 1.154 145 D N -0.933 119.465 120.400 -0.005 0.000 2.346 145 D HA 0.176 4.816 4.640 0.000 0.000 0.206 145 D C 0.628 176.809 176.300 -0.200 0.000 1.001 145 D CA 1.042 55.066 54.000 0.039 0.000 0.871 145 D CB 0.309 41.070 40.800 -0.064 0.000 0.943 145 D HN 0.286 nan 8.370 nan 0.000 0.518 146 M N 0.394 119.889 119.600 -0.175 0.000 2.413 146 M HA 0.355 4.835 4.480 0.000 0.000 0.287 146 M C -2.080 174.165 176.300 -0.092 0.000 1.186 146 M CA -0.489 54.581 55.300 -0.382 0.000 0.927 146 M CB 2.449 34.894 32.600 -0.258 0.000 1.715 146 M HN -0.328 nan 8.290 nan 0.000 0.478 147 I N 3.343 123.856 120.570 -0.095 0.000 2.418 147 I HA 0.548 4.718 4.170 0.000 0.000 0.287 147 I C -0.366 175.685 176.117 -0.110 0.000 1.008 147 I CA -0.742 60.582 61.300 0.040 0.000 1.104 147 I CB 1.970 40.065 38.000 0.158 0.000 1.264 147 I HN 0.802 nan 8.210 nan 0.000 0.438 148 A N 7.216 129.998 122.820 -0.063 0.000 2.280 148 A HA 0.621 4.941 4.320 0.000 0.000 0.320 148 A C -0.381 177.197 177.584 -0.009 0.000 1.366 148 A CA -0.440 51.525 52.037 -0.120 0.000 0.938 148 A CB 0.429 19.343 19.000 -0.144 0.000 1.157 148 A HN 0.459 nan 8.150 nan 0.000 0.536 149 V N 3.515 123.412 119.914 -0.029 0.000 2.432 149 V HA 0.457 4.577 4.120 0.000 0.000 0.271 149 V C 0.609 176.753 176.094 0.084 0.000 1.046 149 V CA 0.070 62.418 62.300 0.081 0.000 0.945 149 V CB 0.537 32.363 31.823 0.005 0.000 0.992 149 V HN 1.016 nan 8.190 nan 0.000 0.471 150 S N 3.281 119.064 115.700 0.139 0.000 2.823 150 S HA 0.922 5.392 4.470 0.000 0.000 0.316 150 S C -0.154 174.537 174.600 0.152 0.000 1.116 150 S CA -0.536 57.721 58.200 0.095 0.000 0.911 150 S CB 2.164 65.400 63.200 0.061 0.000 1.276 150 S HN 0.855 nan 8.310 nan 0.000 0.565 151 T N -1.410 113.219 114.554 0.126 0.000 2.883 151 T HA 0.734 5.084 4.350 0.000 0.000 0.301 151 T C -0.285 174.504 174.700 0.147 0.000 1.158 151 T CA -0.653 61.544 62.100 0.161 0.000 1.007 151 T CB 1.163 70.120 68.868 0.148 0.000 1.186 151 T HN 0.956 nan 8.240 nan 0.000 0.499 152 T N -1.683 112.959 114.554 0.146 0.000 2.944 152 T HA 0.362 4.712 4.350 0.000 0.000 0.284 152 T C 1.932 176.709 174.700 0.128 0.000 1.010 152 T CA -0.294 61.892 62.100 0.144 0.000 1.025 152 T CB 0.504 69.439 68.868 0.113 0.000 1.079 152 T HN 1.122 nan 8.240 nan 0.000 0.516 153 C N 1.664 121.053 119.300 0.148 0.000 2.403 153 C HA -0.101 4.359 4.460 0.000 0.000 0.277 153 C C 2.689 177.843 174.990 0.274 0.000 1.248 153 C CA 0.889 60.069 59.018 0.270 0.000 1.762 153 C CB -1.782 26.192 27.740 0.390 0.000 2.014 153 C HN 0.890 nan 8.230 nan 0.000 0.486 154 M N 2.590 122.286 119.600 0.159 0.000 2.108 154 M HA -0.119 4.361 4.480 0.000 0.000 0.261 154 M C 2.341 178.712 176.300 0.119 0.000 1.066 154 M CA 2.622 57.988 55.300 0.110 0.000 1.107 154 M CB -0.704 31.925 32.600 0.049 0.000 1.356 154 M HN 0.481 nan 8.290 nan 0.000 0.406 155 A N -0.232 122.661 122.820 0.121 0.000 2.067 155 A HA -0.066 4.254 4.320 0.000 0.000 0.217 155 A C 1.842 179.549 177.584 0.204 0.000 1.156 155 A CA 1.052 53.183 52.037 0.157 0.000 0.683 155 A CB -0.412 18.691 19.000 0.170 0.000 0.808 155 A HN 0.562 nan 8.150 nan 0.000 0.455 156 E N -0.197 120.139 120.200 0.227 0.000 2.112 156 E HA -0.047 4.303 4.350 0.000 0.000 0.190 156 E C 2.176 178.956 176.600 0.299 0.000 0.979 156 E CA 0.894 57.454 56.400 0.267 0.000 0.814 156 E CB -0.366 29.472 29.700 0.229 0.000 0.762 156 E HN 0.353 nan 8.360 nan 0.000 0.460 157 V N 2.500 122.586 119.914 0.287 0.000 2.261 157 V HA -0.230 3.890 4.120 0.000 0.000 0.246 157 V C 2.441 178.597 176.094 0.104 0.000 1.047 157 V CA 1.892 64.286 62.300 0.156 0.000 1.015 157 V CB -0.608 31.256 31.823 0.069 0.000 0.642 157 V HN 0.354 nan 8.190 nan 0.000 0.446 158 I N -0.612 120.022 120.570 0.106 0.000 3.444 158 I HA 0.306 4.476 4.170 0.000 0.000 0.287 158 I C 1.297 177.469 176.117 0.092 0.000 1.302 158 I CA 0.738 62.092 61.300 0.090 0.000 1.368 158 I CB -1.115 36.942 38.000 0.095 0.000 1.048 158 I HN 0.377 nan 8.210 nan 0.000 0.487 159 G N 2.104 110.962 108.800 0.096 0.000 2.338 159 G HA2 -0.267 3.693 3.960 0.000 0.000 0.296 159 G HA3 -0.267 3.693 3.960 0.000 0.000 0.296 159 G C -0.475 174.430 174.900 0.008 0.000 1.040 159 G CA 0.343 45.477 45.100 0.056 0.000 1.004 159 G HN 0.568 nan 8.290 nan 0.000 0.509 160 D N 0.439 120.855 120.400 0.027 0.000 2.382 160 D HA 0.305 4.945 4.640 0.000 0.000 0.259 160 D C 0.438 176.471 176.300 -0.445 0.000 1.224 160 D CA 0.053 53.934 54.000 -0.198 0.000 0.894 160 D CB 0.941 41.806 40.800 0.109 0.000 1.127 160 D HN 0.262 nan 8.370 nan 0.000 0.487 161 D N 3.312 123.223 120.400 -0.814 0.000 2.359 161 D HA 0.019 4.659 4.640 0.000 0.000 0.250 161 D C 1.285 177.075 176.300 -0.849 0.000 1.264 161 D CA -0.176 53.484 54.000 -0.566 0.000 0.911 161 D CB 0.461 41.021 40.800 -0.400 0.000 1.056 161 D HN 0.322 nan 8.370 nan 0.000 0.499 162 L N 3.528 124.373 121.223 -0.630 0.000 2.012 162 L HA -0.171 4.169 4.340 0.000 0.000 0.210 162 L C 2.317 178.639 176.870 -0.914 0.000 1.073 162 L CA 0.789 55.147 54.840 -0.804 0.000 0.748 162 L CB -0.473 41.030 42.059 -0.927 0.000 0.891 162 L HN 0.535 nan 8.230 nan 0.000 0.431 163 N N 0.343 118.406 118.700 -1.060 0.000 2.069 163 N HA -0.200 4.540 4.740 0.000 0.000 0.191 163 N C 1.803 177.118 175.510 -0.325 0.000 1.031 163 N CA 1.701 54.270 53.050 -0.801 0.000 0.852 163 N CB 0.135 38.413 38.487 -0.349 0.000 1.018 163 N HN 0.330 nan 8.380 nan 0.000 0.423 164 A N 0.454 123.143 122.820 -0.219 0.000 1.898 164 A HA -0.056 4.264 4.320 0.000 0.000 0.216 164 A C 1.880 179.536 177.584 0.120 0.000 1.181 164 A CA 0.775 52.795 52.037 -0.028 0.000 0.620 164 A CB -0.720 18.295 19.000 0.025 0.000 0.819 164 A HN 0.268 nan 8.150 nan 0.000 0.442 165 F N 0.085 119.913 119.950 -0.202 0.000 2.171 165 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 165 F C 2.109 177.786 175.800 -0.204 0.000 1.090 165 F CA 0.361 58.240 58.000 -0.201 0.000 1.293 165 F CB -0.766 38.075 39.000 -0.265 0.000 1.013 165 F HN 0.143 nan 8.300 nan 0.000 0.486 166 I N -0.454 120.085 120.570 -0.051 0.000 2.406 166 I HA -0.225 3.945 4.170 0.000 0.000 0.249 166 I C 1.937 178.038 176.117 -0.028 0.000 1.122 166 I CA 0.674 61.920 61.300 -0.089 0.000 1.431 166 I CB -0.387 37.514 38.000 -0.165 0.000 1.087 166 I HN 0.019 nan 8.210 nan 0.000 0.424 167 N N 1.170 119.857 118.700 -0.022 0.000 2.270 167 N HA -0.120 4.620 4.740 0.000 0.000 0.181 167 N C 1.428 176.954 175.510 0.027 0.000 1.016 167 N CA 1.256 54.313 53.050 0.012 0.000 0.870 167 N CB -0.516 37.976 38.487 0.008 0.000 0.979 167 N HN 0.462 nan 8.380 nan 0.000 0.431 168 N N -0.094 118.622 118.700 0.026 0.000 2.331 168 N HA 0.028 4.768 4.740 0.000 0.000 0.180 168 N C 1.524 177.059 175.510 0.041 0.000 1.019 168 N CA 0.526 53.592 53.050 0.027 0.000 0.881 168 N CB 0.111 38.601 38.487 0.006 0.000 0.972 168 N HN 0.042 nan 8.380 nan 0.000 0.435 169 S N 0.869 116.580 115.700 0.017 0.000 2.368 169 S HA -0.053 4.417 4.470 0.000 0.000 0.224 169 S C 1.668 176.360 174.600 0.155 0.000 1.029 169 S CA 1.039 59.273 58.200 0.056 0.000 0.988 169 S CB 0.003 63.186 63.200 -0.028 0.000 0.838 169 S HN 0.290 nan 8.310 nan 0.000 0.462 170 K N 1.139 121.595 120.400 0.094 0.000 2.062 170 K HA -0.018 4.302 4.320 0.000 0.000 0.205 170 K C 2.227 178.874 176.600 0.078 0.000 1.051 170 K CA 0.911 57.252 56.287 0.091 0.000 0.941 170 K CB -0.118 32.428 32.500 0.077 0.000 0.719 170 K HN 0.171 nan 8.250 nan 0.000 0.440 171 K N 1.421 121.862 120.400 0.069 0.000 2.097 171 K HA -0.180 4.140 4.320 0.000 0.000 0.206 171 K C 1.279 177.913 176.600 0.057 0.000 1.049 171 K CA 1.534 57.852 56.287 0.053 0.000 0.933 171 K CB 0.160 32.686 32.500 0.043 0.000 0.717 171 K HN 0.008 nan 8.250 nan 0.000 0.442 172 E N -1.130 119.134 120.200 0.107 0.000 2.489 172 E HA 0.089 4.439 4.350 0.000 0.000 0.193 172 E C 0.311 176.910 176.600 -0.001 0.000 1.057 172 E CA 0.538 57.003 56.400 0.107 0.000 0.866 172 E CB 0.789 30.642 29.700 0.254 0.000 0.916 172 E HN 0.527 nan 8.360 nan 0.000 0.500 173 G N -0.099 108.705 108.800 0.007 0.000 2.171 173 G HA2 -0.295 3.665 3.960 0.000 0.000 0.238 173 G HA3 -0.295 3.665 3.960 0.000 0.000 0.238 173 G C 0.411 175.184 174.900 -0.212 0.000 1.039 173 G CA 0.172 45.211 45.100 -0.101 0.000 0.759 173 G HN 0.331 nan 8.290 nan 0.000 0.501 174 F N 0.106 120.036 119.950 -0.033 0.000 2.387 174 F HA 0.396 4.923 4.527 0.000 0.000 0.294 174 F C 1.662 177.423 175.800 -0.065 0.000 1.093 174 F CA 1.281 59.255 58.000 -0.042 0.000 1.420 174 F CB 0.271 39.249 39.000 -0.036 0.000 1.086 174 F HN 0.420 nan 8.300 nan 0.000 0.531 175 I N -3.975 116.655 120.570 0.100 0.000 2.894 175 I HA 0.511 4.681 4.170 0.000 0.000 0.302 175 I C -2.972 173.165 176.117 0.033 0.000 1.188 175 I CA -2.761 58.536 61.300 -0.004 0.000 1.014 175 I CB 1.658 39.645 38.000 -0.023 0.000 1.242 175 I HN -0.377 nan 8.210 nan 0.000 0.430 176 P HA 0.065 nan 4.420 nan 0.000 0.267 176 P C -0.071 177.306 177.300 0.127 0.000 1.200 176 P CA 0.018 63.166 63.100 0.078 0.000 0.772 176 P CB 0.570 32.330 31.700 0.100 0.000 0.855 177 D N 1.801 122.255 120.400 0.091 0.000 2.178 177 D HA -0.158 4.482 4.640 0.000 0.000 0.201 177 D C 1.338 177.700 176.300 0.103 0.000 0.980 177 D CA 1.169 55.221 54.000 0.085 0.000 0.842 177 D CB 0.226 41.057 40.800 0.052 0.000 0.948 177 D HN 0.569 nan 8.370 nan 0.000 0.472 178 E N 0.383 120.651 120.200 0.114 0.000 2.479 178 E HA -0.090 4.260 4.350 0.000 0.000 0.193 178 E C 0.309 177.001 176.600 0.153 0.000 1.049 178 E CA -0.421 56.044 56.400 0.107 0.000 0.870 178 E CB -0.774 28.972 29.700 0.077 0.000 0.944 178 E HN 0.101 nan 8.360 nan 0.000 0.492 179 F N 3.926 123.909 119.950 0.056 0.000 2.506 179 F HA 0.253 4.780 4.527 -0.000 0.000 0.371 179 F C -2.153 173.682 175.800 0.058 0.000 1.078 179 F CA -2.738 55.292 58.000 0.049 0.000 1.195 179 F CB 0.617 39.631 39.000 0.023 0.000 1.099 179 F HN -0.206 nan 8.300 nan 0.000 0.548 180 P HA 0.078 nan 4.420 nan 0.000 0.265 180 P C -1.014 175.861 177.300 -0.708 0.000 1.222 180 P CA 0.206 63.033 63.100 -0.456 0.000 0.767 180 P CB 0.626 32.157 31.700 -0.281 0.000 0.801 181 V N 6.159 125.623 119.914 -0.749 0.000 2.462 181 V HA 0.224 4.345 4.120 0.000 0.000 0.257 181 V C -2.054 173.582 176.094 -0.763 0.000 0.944 181 V CA -1.651 60.323 62.300 -0.544 0.000 0.903 181 V CB 1.103 32.824 31.823 -0.170 0.000 1.128 181 V HN 0.493 nan 8.190 nan 0.000 0.486 182 P HA 0.390 nan 4.420 nan 0.000 0.272 182 P C -0.829 176.278 177.300 -0.322 0.000 1.223 182 P CA 0.077 62.688 63.100 -0.815 0.000 0.784 182 P CB 1.222 32.439 31.700 -0.806 0.000 0.923 183 F N -0.876 118.886 119.950 -0.313 0.000 2.629 183 F HA 0.867 5.394 4.527 -0.000 0.000 0.316 183 F C -1.745 173.934 175.800 -0.201 0.000 1.081 183 F CA -1.493 56.360 58.000 -0.245 0.000 0.954 183 F CB 1.387 40.243 39.000 -0.240 0.000 1.337 183 F HN 0.499 nan 8.300 nan 0.000 0.474 184 A N 0.930 123.689 122.820 -0.102 0.000 2.491 184 A HA 0.536 4.856 4.320 0.000 0.000 0.293 184 A C -2.084 175.505 177.584 0.008 0.000 1.047 184 A CA -0.685 51.280 52.037 -0.120 0.000 0.735 184 A CB 0.232 19.143 19.000 -0.148 0.000 1.281 184 A HN 0.954 nan 8.150 nan 0.000 0.398 185 H N 1.768 120.889 119.070 0.084 0.000 2.955 185 H HA 0.384 4.940 4.556 -0.000 0.000 0.290 185 H C 0.644 175.974 175.328 0.004 0.000 1.047 185 H CA 1.694 57.783 56.048 0.067 0.000 1.484 185 H CB 0.729 30.526 29.762 0.059 0.000 1.501 185 H HN 0.562 nan 8.280 nan 0.000 0.521 186 T N 2.767 117.367 114.554 0.076 0.000 3.331 186 T HA 0.249 4.599 4.350 0.000 0.000 0.381 186 T C -2.873 171.785 174.700 -0.071 0.000 1.656 186 T CA -2.252 59.852 62.100 0.006 0.000 1.453 186 T CB 0.562 69.437 68.868 0.010 0.000 1.066 186 T HN 0.304 nan 8.240 nan 0.000 0.655 187 P HA 0.182 nan 4.420 nan 0.000 0.271 187 P C 0.920 177.908 177.300 -0.520 0.000 1.233 187 P CA 0.003 62.776 63.100 -0.545 0.000 0.764 187 P CB 1.263 32.460 31.700 -0.839 0.000 0.825 188 S N 3.046 118.515 115.700 -0.384 0.000 2.387 188 S HA -0.171 4.299 4.470 0.000 0.000 0.230 188 S C 1.266 175.814 174.600 -0.086 0.000 1.035 188 S CA 1.533 59.659 58.200 -0.123 0.000 1.014 188 S CB -0.950 62.286 63.200 0.059 0.000 0.836 188 S HN 0.671 nan 8.310 nan 0.000 0.466 189 F N 0.722 120.692 119.950 0.034 0.000 2.769 189 F HA 0.451 4.978 4.527 -0.000 0.000 0.304 189 F C 0.046 175.858 175.800 0.019 0.000 1.158 189 F CA -0.554 57.458 58.000 0.020 0.000 1.398 189 F CB -0.567 38.446 39.000 0.020 0.000 1.094 189 F HN -0.174 nan 8.300 nan 0.000 0.553 190 V N 0.476 120.347 119.914 -0.073 0.000 2.656 190 V HA 0.773 4.893 4.120 0.000 0.000 0.307 190 V C 0.758 176.829 176.094 -0.038 0.000 1.051 190 V CA -0.722 61.565 62.300 -0.021 0.000 0.893 190 V CB 0.709 32.495 31.823 -0.060 0.000 0.999 190 V HN 0.576 nan 8.190 nan 0.000 0.426 191 G N 4.519 113.312 108.800 -0.012 0.000 2.614 191 G HA2 -0.147 3.813 3.960 0.000 0.000 0.303 191 G HA3 -0.147 3.813 3.960 0.000 0.000 0.303 191 G C 0.217 175.074 174.900 -0.071 0.000 1.270 191 G CA 0.853 45.930 45.100 -0.037 0.000 0.988 191 G HN 1.908 nan 8.290 nan 0.000 0.551 192 S N -2.602 113.028 115.700 -0.117 0.000 2.843 192 S HA 0.614 5.084 4.470 0.000 0.000 0.301 192 S C 1.115 175.608 174.600 -0.178 0.000 1.206 192 S CA 0.640 58.761 58.200 -0.132 0.000 0.875 192 S CB 0.829 63.914 63.200 -0.192 0.000 1.248 192 S HN 1.718 nan 8.310 nan 0.000 0.555 193 H N 0.926 119.873 119.070 -0.205 0.000 2.422 193 H HA -0.070 4.486 4.556 0.000 0.000 0.298 193 H C 2.128 177.310 175.328 -0.244 0.000 1.098 193 H CA 2.098 58.010 56.048 -0.227 0.000 1.315 193 H CB -1.383 28.162 29.762 -0.362 0.000 1.382 193 H HN 0.558 nan 8.280 nan 0.000 0.523 194 V N -0.151 119.200 119.914 -0.938 0.000 2.427 194 V HA -0.160 3.960 4.120 0.000 0.000 0.248 194 V C 2.292 178.275 176.094 -0.186 0.000 1.051 194 V CA 1.929 63.811 62.300 -0.697 0.000 1.048 194 V CB -1.289 29.925 31.823 -1.014 0.000 0.666 194 V HN 0.360 nan 8.190 nan 0.000 0.456 195 T N 1.255 115.724 114.554 -0.143 0.000 2.833 195 T HA -0.006 4.344 4.350 0.000 0.000 0.269 195 T C 1.938 176.680 174.700 0.070 0.000 1.054 195 T CA 1.631 63.733 62.100 0.003 0.000 1.135 195 T CB -0.798 68.053 68.868 -0.028 0.000 0.869 195 T HN 0.705 nan 8.240 nan 0.000 0.466 196 G N -0.299 108.534 108.800 0.056 0.000 2.422 196 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 196 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 196 G C 1.317 176.324 174.900 0.177 0.000 1.146 196 G CA 0.318 45.472 45.100 0.090 0.000 0.769 196 G HN 0.555 nan 8.290 nan 0.000 0.547 197 W N 1.047 122.414 121.300 0.112 0.000 2.379 197 W HA -0.040 4.620 4.660 0.000 0.000 0.307 197 W C 2.259 178.907 176.519 0.215 0.000 1.200 197 W CA 1.405 58.874 57.345 0.207 0.000 1.297 197 W CB 0.067 29.692 29.460 0.275 0.000 1.140 197 W HN 0.239 nan 8.180 nan 0.000 0.507 198 D N -0.103 120.640 120.400 0.571 0.000 2.104 198 D HA -0.238 4.402 4.640 0.000 0.000 0.194 198 D C 1.753 178.196 176.300 0.239 0.000 0.994 198 D CA 1.682 55.946 54.000 0.440 0.000 0.830 198 D CB -0.513 40.475 40.800 0.313 0.000 0.959 198 D HN 0.026 nan 8.370 nan 0.000 0.452 199 N N -0.383 118.398 118.700 0.135 0.000 2.188 199 N HA -0.136 4.604 4.740 0.000 0.000 0.184 199 N C 1.707 177.186 175.510 -0.050 0.000 1.018 199 N CA 0.802 53.870 53.050 0.029 0.000 0.858 199 N CB -0.361 38.138 38.487 0.020 0.000 0.989 199 N HN 0.278 nan 8.380 nan 0.000 0.426 200 M N -0.394 119.175 119.600 -0.052 0.000 2.156 200 M HA 0.027 4.507 4.480 0.000 0.000 0.264 200 M C 1.763 177.935 176.300 -0.214 0.000 1.067 200 M CA 1.058 56.262 55.300 -0.159 0.000 1.131 200 M CB -0.487 32.007 32.600 -0.177 0.000 1.368 200 M HN 0.071 nan 8.290 nan 0.000 0.416 201 F N 0.643 120.432 119.950 -0.269 0.000 2.102 201 F HA -0.177 4.350 4.527 0.000 0.000 0.298 201 F C 2.370 178.083 175.800 -0.144 0.000 1.105 201 F CA 2.045 59.923 58.000 -0.203 0.000 1.239 201 F CB -0.425 38.535 39.000 -0.068 0.000 0.991 201 F HN 0.250 nan 8.300 nan 0.000 0.474 202 E N 0.307 120.486 120.200 -0.034 0.000 2.110 202 E HA -0.156 4.194 4.350 0.000 0.000 0.193 202 E C 2.408 178.711 176.600 -0.495 0.000 0.988 202 E CA 1.203 57.455 56.400 -0.246 0.000 0.804 202 E CB -0.723 28.901 29.700 -0.127 0.000 0.745 202 E HN 0.503 nan 8.360 nan 0.000 0.458 203 G N 0.994 109.548 108.800 -0.411 0.000 2.432 203 G HA2 -0.194 3.766 3.960 0.000 0.000 0.219 203 G HA3 -0.194 3.766 3.960 0.000 0.000 0.219 203 G C 1.704 176.308 174.900 -0.493 0.000 1.135 203 G CA 0.639 45.439 45.100 -0.500 0.000 0.767 203 G HN 0.253 nan 8.290 nan 0.000 0.550 204 I N 0.913 121.191 120.570 -0.487 0.000 2.400 204 I HA 0.008 4.178 4.170 0.000 0.000 0.248 204 I C 3.221 179.200 176.117 -0.230 0.000 1.109 204 I CA 0.694 61.738 61.300 -0.427 0.000 1.425 204 I CB -0.127 37.477 38.000 -0.661 0.000 1.094 204 I HN 0.206 nan 8.210 nan 0.000 0.425 205 A N 1.028 123.611 122.820 -0.395 0.000 1.883 205 A HA -0.224 4.096 4.320 0.000 0.000 0.217 205 A C 2.417 179.948 177.584 -0.089 0.000 1.186 205 A CA 1.556 53.515 52.037 -0.129 0.000 0.624 205 A CB -0.609 18.219 19.000 -0.286 0.000 0.822 205 A HN 0.267 nan 8.150 nan 0.000 0.444 206 R N -2.213 117.909 120.500 -0.631 0.000 2.080 206 R HA -0.202 4.138 4.340 0.000 0.000 0.236 206 R C 2.163 178.369 176.300 -0.157 0.000 1.137 206 R CA 1.963 57.730 56.100 -0.556 0.000 0.943 206 R CB -0.698 29.219 30.300 -0.639 0.000 0.846 206 R HN 0.681 nan 8.270 nan 0.000 0.431 207 Y N 0.277 120.358 120.300 -0.365 0.000 2.151 207 Y HA -0.257 4.293 4.550 0.000 0.000 0.284 207 Y C 1.741 177.391 175.900 -0.417 0.000 1.166 207 Y CA 1.853 59.687 58.100 -0.444 0.000 1.163 207 Y CB -0.279 37.766 38.460 -0.692 0.000 0.974 207 Y HN -0.013 nan 8.280 nan 0.000 0.511 208 F N -1.466 118.500 119.950 0.027 0.000 2.743 208 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 208 F C 2.109 177.929 175.800 0.033 0.000 1.131 208 F CA 1.026 59.029 58.000 0.005 0.000 1.426 208 F CB 0.100 39.127 39.000 0.045 0.000 1.116 208 F HN 0.139 nan 8.300 nan 0.000 0.583 209 T N -4.073 110.652 114.554 0.285 0.000 2.980 209 T HA 0.123 4.473 4.350 0.000 0.000 0.252 209 T C 1.788 176.646 174.700 0.264 0.000 0.962 209 T CA -0.046 62.236 62.100 0.302 0.000 0.932 209 T CB -0.458 68.742 68.868 0.554 0.000 1.188 209 T HN 0.156 nan 8.240 nan 0.000 0.500 210 L N 1.121 122.523 121.223 0.297 0.000 2.021 210 L HA -0.148 4.192 4.340 0.000 0.000 0.215 210 L C 2.612 179.538 176.870 0.093 0.000 1.074 210 L CA 1.942 56.920 54.840 0.229 0.000 0.760 210 L CB -0.277 41.895 42.059 0.187 0.000 0.889 210 L HN 0.339 nan 8.230 nan 0.000 0.433 211 K N -1.136 119.281 120.400 0.029 0.000 2.167 211 K HA -0.034 4.286 4.320 0.000 0.000 0.203 211 K C 1.752 178.353 176.600 0.003 0.000 1.052 211 K CA 1.208 57.493 56.287 -0.004 0.000 0.956 211 K CB 0.014 32.483 32.500 -0.050 0.000 0.735 211 K HN 0.179 nan 8.250 nan 0.000 0.451 212 S N 1.008 116.715 115.700 0.011 0.000 2.650 212 S HA 0.084 4.554 4.470 0.000 0.000 0.219 212 S C 1.363 175.965 174.600 0.002 0.000 0.960 212 S CA 0.246 58.448 58.200 0.004 0.000 0.925 212 S CB 0.010 63.213 63.200 0.005 0.000 0.775 212 S HN 0.176 nan 8.310 nan 0.000 0.525 213 M N 2.208 121.816 119.600 0.014 0.000 2.346 213 M HA -0.132 4.348 4.480 0.000 0.000 0.263 213 M C 1.537 177.832 176.300 -0.010 0.000 1.064 213 M CA 1.105 56.406 55.300 0.002 0.000 1.083 213 M CB -1.482 31.126 32.600 0.014 0.000 1.399 213 M HN 0.476 nan 8.290 nan 0.000 0.435 214 D N 0.275 120.671 120.400 -0.007 0.000 2.178 214 D HA -0.191 4.449 4.640 0.000 0.000 0.201 214 D C 0.974 177.266 176.300 -0.012 0.000 0.980 214 D CA 1.426 55.420 54.000 -0.009 0.000 0.842 214 D CB -0.573 40.223 40.800 -0.007 0.000 0.948 214 D HN 0.514 nan 8.370 nan 0.000 0.472 215 D N -0.640 119.750 120.400 -0.017 0.000 2.368 215 D HA 0.039 4.679 4.640 0.000 0.000 0.218 215 D C -0.114 176.170 176.300 -0.027 0.000 1.112 215 D CA -0.288 53.700 54.000 -0.019 0.000 0.834 215 D CB 0.145 40.934 40.800 -0.019 0.000 0.953 215 D HN -0.030 nan 8.370 nan 0.000 0.505 216 K N 0.581 120.962 120.400 -0.033 0.000 2.201 216 K HA 0.412 4.732 4.320 0.000 0.000 0.278 216 K C -0.696 175.888 176.600 -0.026 0.000 1.027 216 K CA -0.519 55.741 56.287 -0.045 0.000 0.909 216 K CB 2.159 34.614 32.500 -0.076 0.000 1.062 216 K HN -0.129 nan 8.250 nan 0.000 0.465 217 V N 3.550 123.452 119.914 -0.020 0.000 2.444 217 V HA 0.282 4.402 4.120 0.000 0.000 0.294 217 V C -0.408 175.693 176.094 0.012 0.000 1.022 217 V CA -1.231 61.067 62.300 -0.003 0.000 0.850 217 V CB 1.777 33.596 31.823 -0.008 0.000 0.992 217 V HN 0.429 nan 8.190 nan 0.000 0.426 218 V N 4.655 124.593 119.914 0.040 0.000 2.485 218 V HA 0.443 4.564 4.120 0.000 0.000 0.287 218 V C 1.429 177.534 176.094 0.018 0.000 1.022 218 V CA 1.564 63.908 62.300 0.074 0.000 1.067 218 V CB 0.312 32.211 31.823 0.126 0.000 0.967 218 V HN 1.347 nan 8.190 nan 0.000 0.479 219 G N 4.155 112.952 108.800 -0.006 0.000 2.157 219 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 219 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 219 G C 1.019 175.905 174.900 -0.024 0.000 0.979 219 G CA 0.740 45.821 45.100 -0.031 0.000 0.650 219 G HN 1.101 nan 8.290 nan 0.000 0.529 220 S N 0.613 116.302 115.700 -0.018 0.000 2.461 220 S HA -0.060 4.410 4.470 0.000 0.000 0.228 220 S C 1.815 176.398 174.600 -0.027 0.000 1.005 220 S CA 1.537 59.724 58.200 -0.021 0.000 0.942 220 S CB -0.252 62.936 63.200 -0.020 0.000 0.776 220 S HN 1.028 nan 8.310 nan 0.000 0.514 221 N N 0.888 119.568 118.700 -0.032 0.000 2.299 221 N HA 0.103 4.843 4.740 0.000 0.000 0.187 221 N C 0.063 175.552 175.510 -0.035 0.000 1.099 221 N CA -0.003 53.025 53.050 -0.037 0.000 0.867 221 N CB -0.550 37.910 38.487 -0.045 0.000 0.974 221 N HN 0.366 nan 8.380 nan 0.000 0.477 222 K N -0.431 119.950 120.400 -0.032 0.000 3.071 222 K HA -0.207 4.113 4.320 0.000 0.000 0.265 222 K C -0.836 175.749 176.600 -0.025 0.000 1.060 222 K CA 0.810 57.079 56.287 -0.029 0.000 0.767 222 K CB -1.306 31.179 32.500 -0.025 0.000 1.241 222 K HN 0.503 nan 8.250 nan 0.000 0.486 223 K N 0.001 120.387 120.400 -0.024 0.000 2.352 223 K HA 0.636 4.956 4.320 0.000 0.000 0.240 223 K C -0.010 176.596 176.600 0.010 0.000 1.017 223 K CA -0.937 55.349 56.287 -0.002 0.000 0.851 223 K CB 1.571 34.064 32.500 -0.011 0.000 1.261 223 K HN 0.001 nan 8.250 nan 0.000 0.451 224 I N 1.964 122.572 120.570 0.063 0.000 2.433 224 I HA 0.241 4.411 4.170 0.000 0.000 0.292 224 I C -0.593 175.614 176.117 0.150 0.000 1.001 224 I CA -1.067 60.274 61.300 0.068 0.000 1.119 224 I CB 1.677 39.709 38.000 0.054 0.000 1.289 224 I HN 0.457 nan 8.210 nan 0.000 0.438 225 N N 6.559 125.364 118.700 0.175 0.000 2.530 225 N HA 0.453 5.193 4.740 0.000 0.000 0.277 225 N C -0.736 174.923 175.510 0.249 0.000 1.168 225 N CA -0.207 52.998 53.050 0.259 0.000 0.979 225 N CB 1.640 40.359 38.487 0.386 0.000 1.141 225 N HN 0.327 nan 8.380 nan 0.000 0.459 226 I N 1.716 122.439 120.570 0.255 0.000 2.478 226 I HA 0.235 4.405 4.170 0.000 0.000 0.287 226 I C -0.513 175.703 176.117 0.165 0.000 1.042 226 I CA -0.701 60.714 61.300 0.191 0.000 1.067 226 I CB 1.445 39.544 38.000 0.165 0.000 1.233 226 I HN 0.033 nan 8.210 nan 0.000 0.431 227 V N 9.067 129.024 119.914 0.072 0.000 2.311 227 V HA 0.270 4.390 4.120 0.000 0.000 0.275 227 V C -1.214 174.801 176.094 -0.131 0.000 1.022 227 V CA -1.002 61.253 62.300 -0.074 0.000 0.830 227 V CB 1.589 33.254 31.823 -0.263 0.000 1.012 227 V HN 0.570 nan 8.190 nan 0.000 0.452 228 P HA 0.075 nan 4.420 nan 0.000 0.218 228 P C 0.789 177.801 177.300 -0.478 0.000 1.152 228 P CA 1.614 64.604 63.100 -0.183 0.000 0.826 228 P CB 0.566 32.303 31.700 0.061 0.000 0.790 229 G N 0.366 108.516 108.800 -1.083 0.000 2.698 229 G HA2 -0.255 3.705 3.960 0.000 0.000 0.225 229 G HA3 -0.255 3.705 3.960 0.000 0.000 0.225 229 G C -0.925 173.083 174.900 -1.486 0.000 1.345 229 G CA -0.436 43.809 45.100 -1.425 0.000 0.871 229 G HN 0.279 nan 8.290 nan 0.000 0.540 230 F N 1.807 121.176 119.950 -0.969 0.000 2.516 230 F HA 0.512 5.039 4.527 0.000 0.000 0.351 230 F C 0.552 176.187 175.800 -0.275 0.000 1.208 230 F CA 0.588 58.224 58.000 -0.605 0.000 1.073 230 F CB 0.433 39.197 39.000 -0.394 0.000 1.203 230 F HN 0.604 nan 8.300 nan 0.000 0.602 231 E N 3.242 123.197 120.200 -0.407 0.000 2.218 231 E HA 0.262 4.612 4.350 0.000 0.000 0.263 231 E C 0.106 176.595 176.600 -0.185 0.000 0.879 231 E CA -0.395 55.838 56.400 -0.279 0.000 0.762 231 E CB 1.284 30.737 29.700 -0.412 0.000 1.166 231 E HN 0.484 nan 8.360 nan 0.000 0.415 232 T N 0.887 115.307 114.554 -0.223 0.000 3.085 232 T HA 0.261 4.611 4.350 0.000 0.000 0.264 232 T C -0.047 174.680 174.700 0.046 0.000 1.019 232 T CA -0.099 61.956 62.100 -0.075 0.000 0.910 232 T CB -0.308 68.200 68.868 -0.600 0.000 1.059 232 T HN 0.336 nan 8.240 nan 0.000 0.542 233 Y N 1.387 121.730 120.300 0.072 0.000 2.369 233 Y HA 0.428 4.978 4.550 -0.000 0.000 0.337 233 Y C 0.881 176.821 175.900 0.067 0.000 0.961 233 Y CA -1.495 56.649 58.100 0.074 0.000 1.186 233 Y CB 1.288 39.719 38.460 -0.048 0.000 1.139 233 Y HN -0.064 nan 8.280 nan 0.000 0.494 234 L N 3.072 124.547 121.223 0.422 0.000 2.131 234 L HA -0.118 4.222 4.340 0.000 0.000 0.210 234 L C 2.313 179.339 176.870 0.261 0.000 1.092 234 L CA 1.823 56.925 54.840 0.438 0.000 0.759 234 L CB -1.103 41.179 42.059 0.371 0.000 0.903 234 L HN 0.915 nan 8.230 nan 0.000 0.435 235 G N -1.215 107.671 108.800 0.143 0.000 2.498 235 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 235 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 235 G C 1.460 176.336 174.900 -0.039 0.000 1.119 235 G CA 0.543 45.667 45.100 0.040 0.000 0.766 235 G HN 0.391 nan 8.290 nan 0.000 0.552 236 N N 0.128 118.752 118.700 -0.126 0.000 2.354 236 N HA 0.043 4.783 4.740 0.000 0.000 0.179 236 N C 1.653 176.997 175.510 -0.277 0.000 1.021 236 N CA 0.418 53.309 53.050 -0.264 0.000 0.887 236 N CB -0.306 37.964 38.487 -0.362 0.000 0.974 236 N HN 0.433 nan 8.380 nan 0.000 0.437 237 F N 1.159 121.105 119.950 -0.006 0.000 2.128 237 F HA 0.068 4.595 4.527 0.000 0.000 0.295 237 F C 2.338 178.121 175.800 -0.029 0.000 1.100 237 F CA 0.619 58.608 58.000 -0.019 0.000 1.260 237 F CB -0.030 38.973 39.000 0.006 0.000 1.009 237 F HN -0.103 nan 8.300 nan 0.000 0.476 238 R N -0.102 120.503 120.500 0.175 0.000 2.081 238 R HA -0.143 4.197 4.340 0.000 0.000 0.235 238 R C 2.218 178.530 176.300 0.020 0.000 1.131 238 R CA 1.389 57.543 56.100 0.090 0.000 0.960 238 R CB -0.932 29.417 30.300 0.082 0.000 0.856 238 R HN 0.204 nan 8.270 nan 0.000 0.436 239 V N 1.208 121.107 119.914 -0.026 0.000 2.515 239 V HA -0.165 3.955 4.120 0.000 0.000 0.250 239 V C 1.951 177.998 176.094 -0.078 0.000 1.058 239 V CA 1.403 63.668 62.300 -0.057 0.000 1.064 239 V CB -0.185 31.580 31.823 -0.097 0.000 0.675 239 V HN 0.239 nan 8.190 nan 0.000 0.461 240 I N -0.060 120.446 120.570 -0.108 0.000 2.286 240 I HA -0.151 4.019 4.170 0.000 0.000 0.245 240 I C 2.451 178.463 176.117 -0.174 0.000 1.104 240 I CA 1.566 62.787 61.300 -0.132 0.000 1.397 240 I CB -1.193 36.708 38.000 -0.165 0.000 1.072 240 I HN 0.354 nan 8.210 nan 0.000 0.417 241 K N 0.053 120.357 120.400 -0.160 0.000 2.148 241 K HA -0.157 4.163 4.320 0.000 0.000 0.204 241 K C 2.277 178.826 176.600 -0.085 0.000 1.050 241 K CA 0.707 56.858 56.287 -0.227 0.000 0.942 241 K CB -0.033 32.477 32.500 0.016 0.000 0.724 241 K HN 0.160 nan 8.250 nan 0.000 0.446 242 R N 1.335 121.821 120.500 -0.024 0.000 2.062 242 R HA -0.026 4.314 4.340 0.000 0.000 0.231 242 R C 2.122 178.431 176.300 0.016 0.000 1.136 242 R CA 1.492 57.602 56.100 0.017 0.000 0.948 242 R CB -0.291 30.020 30.300 0.018 0.000 0.845 242 R HN 0.186 nan 8.270 nan 0.000 0.430 243 M N 0.676 120.278 119.600 0.003 0.000 2.149 243 M HA -0.171 4.309 4.480 0.000 0.000 0.261 243 M C 2.317 178.634 176.300 0.029 0.000 1.064 243 M CA 1.506 56.826 55.300 0.033 0.000 1.102 243 M CB -0.207 32.428 32.600 0.058 0.000 1.369 243 M HN 0.124 nan 8.290 nan 0.000 0.408 244 L N -1.181 120.028 121.223 -0.022 0.000 2.072 244 L HA -0.125 4.215 4.340 0.000 0.000 0.205 244 L C 2.531 179.457 176.870 0.093 0.000 1.079 244 L CA 0.859 55.692 54.840 -0.012 0.000 0.752 244 L CB -0.594 41.350 42.059 -0.191 0.000 0.906 244 L HN 0.206 nan 8.230 nan 0.000 0.436 245 S N -0.533 115.242 115.700 0.126 0.000 2.402 245 S HA -0.208 4.262 4.470 0.000 0.000 0.229 245 S C 1.853 176.508 174.600 0.092 0.000 1.021 245 S CA 1.129 59.426 58.200 0.161 0.000 0.974 245 S CB -0.108 63.193 63.200 0.168 0.000 0.800 245 S HN 0.396 nan 8.310 nan 0.000 0.484 246 E N 0.693 120.935 120.200 0.069 0.000 2.150 246 E HA -0.009 4.341 4.350 0.000 0.000 0.193 246 E C 1.750 178.378 176.600 0.048 0.000 0.985 246 E CA 0.817 57.249 56.400 0.054 0.000 0.814 246 E CB -0.024 29.708 29.700 0.053 0.000 0.752 246 E HN 0.469 nan 8.360 nan 0.000 0.466 247 M N -1.359 118.270 119.600 0.048 0.000 2.541 247 M HA 0.140 4.620 4.480 0.000 0.000 0.252 247 M C 1.180 177.501 176.300 0.036 0.000 1.125 247 M CA 0.777 56.098 55.300 0.034 0.000 1.091 247 M CB 0.923 33.534 32.600 0.019 0.000 1.420 247 M HN 0.316 nan 8.290 nan 0.000 0.486 248 G N 1.114 109.946 108.800 0.053 0.000 2.136 248 G HA2 -0.192 3.768 3.960 0.000 0.000 0.242 248 G HA3 -0.192 3.768 3.960 0.000 0.000 0.242 248 G C -0.048 174.884 174.900 0.054 0.000 0.989 248 G CA -0.221 44.908 45.100 0.049 0.000 0.682 248 G HN 0.307 nan 8.290 nan 0.000 0.522 249 V N 1.096 121.058 119.914 0.080 0.000 2.455 249 V HA 0.581 4.701 4.120 0.000 0.000 0.273 249 V C 1.376 177.565 176.094 0.159 0.000 1.045 249 V CA 0.172 62.527 62.300 0.092 0.000 0.976 249 V CB 1.250 33.120 31.823 0.077 0.000 0.993 249 V HN 0.724 nan 8.190 nan 0.000 0.475 250 G N 5.001 113.849 108.800 0.080 0.000 2.380 250 G HA2 0.472 4.432 3.960 0.000 0.000 0.262 250 G HA3 0.472 4.432 3.960 0.000 0.000 0.262 250 G C -0.844 174.109 174.900 0.088 0.000 1.243 250 G CA -0.059 45.055 45.100 0.023 0.000 0.865 250 G HN 0.869 nan 8.290 nan 0.000 0.513 251 Y N -0.556 119.753 120.300 0.014 0.000 2.677 251 Y HA 0.817 5.367 4.550 0.000 0.000 0.334 251 Y C -0.473 175.449 175.900 0.036 0.000 1.154 251 Y CA -1.731 56.387 58.100 0.030 0.000 1.070 251 Y CB 1.630 40.120 38.460 0.049 0.000 1.294 251 Y HN 0.509 nan 8.280 nan 0.000 0.475 252 S N 1.606 117.426 115.700 0.200 0.000 2.677 252 S HA 0.535 5.005 4.470 0.000 0.000 0.283 252 S C -2.185 172.596 174.600 0.301 0.000 1.159 252 S CA -0.550 57.722 58.200 0.120 0.000 1.001 252 S CB 0.874 64.113 63.200 0.065 0.000 1.032 252 S HN 0.790 nan 8.310 nan 0.000 0.487 253 L N 6.548 127.959 121.223 0.312 0.000 2.257 253 L HA 0.593 4.933 4.340 0.000 0.000 0.290 253 L C -1.123 175.854 176.870 0.178 0.000 1.044 253 L CA -0.232 54.769 54.840 0.269 0.000 0.810 253 L CB 0.667 42.882 42.059 0.261 0.000 1.193 253 L HN 0.647 nan 8.230 nan 0.000 0.425 254 L N 5.490 126.868 121.223 0.258 0.000 2.268 254 L HA 0.463 4.803 4.340 0.000 0.000 0.289 254 L C 0.377 177.445 176.870 0.330 0.000 1.064 254 L CA -0.530 54.523 54.840 0.356 0.000 0.824 254 L CB 0.486 42.984 42.059 0.731 0.000 1.202 254 L HN 0.873 nan 8.230 nan 0.000 0.433 255 S N 2.464 118.046 115.700 -0.196 0.000 3.542 255 S HA -0.142 4.328 4.470 0.000 0.000 0.793 255 S C -0.838 173.662 174.600 -0.166 0.000 0.495 255 S CA -0.361 57.603 58.200 -0.394 0.000 1.474 255 S CB -0.416 62.932 63.200 0.246 0.000 0.927 255 S HN 0.878 nan 8.310 nan 0.000 1.064 256 D N 5.601 125.791 120.400 -0.350 0.000 2.375 256 D HA 0.486 5.126 4.640 0.000 0.000 0.259 256 D C -1.506 174.509 176.300 -0.476 0.000 1.235 256 D CA -1.755 52.008 54.000 -0.396 0.000 0.924 256 D CB 1.370 42.038 40.800 -0.221 0.000 1.143 256 D HN 0.286 nan 8.370 nan 0.000 0.529 257 P HA 0.086 nan 4.420 nan 0.000 0.261 257 P C 0.934 177.946 177.300 -0.480 0.000 1.352 257 P CA -0.068 62.738 63.100 -0.489 0.000 0.891 257 P CB 0.645 32.087 31.700 -0.429 0.000 1.383 258 E N 1.173 121.037 120.200 -0.559 0.000 2.160 258 E HA -0.193 4.157 4.350 0.000 0.000 0.195 258 E C 1.218 177.744 176.600 -0.124 0.000 0.991 258 E CA 1.221 57.457 56.400 -0.273 0.000 0.810 258 E CB 0.230 29.824 29.700 -0.176 0.000 0.742 258 E HN 0.243 nan 8.360 nan 0.000 0.466 259 E N -0.128 119.992 120.200 -0.132 0.000 2.086 259 E HA -0.087 4.263 4.350 0.000 0.000 0.190 259 E C 2.362 178.918 176.600 -0.074 0.000 0.975 259 E CA 1.012 57.368 56.400 -0.073 0.000 0.813 259 E CB -0.131 29.533 29.700 -0.060 0.000 0.768 259 E HN 0.239 nan 8.360 nan 0.000 0.457 260 V N 0.542 120.390 119.914 -0.108 0.000 2.427 260 V HA -0.162 3.958 4.120 0.000 0.000 0.248 260 V C 2.048 178.073 176.094 -0.115 0.000 1.051 260 V CA 1.040 63.283 62.300 -0.096 0.000 1.048 260 V CB -0.528 31.235 31.823 -0.100 0.000 0.666 260 V HN 0.083 nan 8.190 nan 0.000 0.456 261 L N 0.430 121.539 121.223 -0.190 0.000 2.645 261 L HA 0.299 4.639 4.340 0.000 0.000 0.235 261 L C 0.412 177.254 176.870 -0.047 0.000 1.150 261 L CA 1.039 55.730 54.840 -0.249 0.000 0.911 261 L CB -0.827 40.894 42.059 -0.565 0.000 1.077 261 L HN 0.423 nan 8.230 nan 0.000 0.438 262 D N -1.357 119.043 120.400 0.001 0.000 3.453 262 D HA 0.053 4.693 4.640 0.000 0.000 0.312 262 D C 0.119 176.449 176.300 0.049 0.000 1.349 262 D CA 0.017 54.061 54.000 0.073 0.000 0.739 262 D CB 0.482 41.341 40.800 0.100 0.000 1.312 262 D HN 0.113 nan 8.370 nan 0.000 0.628 263 T N -0.916 113.663 114.554 0.042 0.000 2.868 263 T HA 0.615 4.965 4.350 0.000 0.000 0.292 263 T C -2.029 172.703 174.700 0.053 0.000 1.028 263 T CA -1.164 60.957 62.100 0.035 0.000 1.059 263 T CB 1.291 70.174 68.868 0.025 0.000 0.991 263 T HN -0.001 nan 8.240 nan 0.000 0.531 264 P HA 0.412 nan 4.420 nan 0.000 0.282 264 P C -1.091 176.243 177.300 0.057 0.000 1.249 264 P CA -0.687 62.440 63.100 0.045 0.000 0.806 264 P CB 0.809 32.528 31.700 0.032 0.000 0.984 265 A N 2.512 125.367 122.820 0.058 0.000 2.798 265 A HA 0.281 4.601 4.320 0.000 0.000 0.316 265 A C 0.582 178.196 177.584 0.049 0.000 1.506 265 A CA -0.369 51.706 52.037 0.063 0.000 1.162 265 A CB -0.616 18.421 19.000 0.062 0.000 1.138 265 A HN 0.593 nan 8.150 nan 0.000 0.532 266 D N 0.993 121.422 120.400 0.049 0.000 2.500 266 D HA 0.271 4.911 4.640 0.000 0.000 0.217 266 D C 0.912 177.236 176.300 0.041 0.000 1.159 266 D CA 0.708 54.732 54.000 0.039 0.000 0.828 266 D CB 0.141 40.961 40.800 0.033 0.000 1.039 266 D HN 0.960 nan 8.370 nan 0.000 0.512 267 G N 0.866 109.697 108.800 0.051 0.000 2.284 267 G HA2 -0.187 3.773 3.960 0.000 0.000 0.201 267 G HA3 -0.187 3.773 3.960 0.000 0.000 0.201 267 G C -0.025 174.915 174.900 0.065 0.000 0.998 267 G CA 0.095 45.225 45.100 0.051 0.000 0.651 267 G HN 0.660 nan 8.290 nan 0.000 0.489 268 Q N -0.565 119.280 119.800 0.074 0.000 2.397 268 Q HA 0.764 5.104 4.340 0.000 0.000 0.275 268 Q C -1.080 175.006 176.000 0.143 0.000 1.090 268 Q CA -1.342 54.518 55.803 0.095 0.000 0.809 268 Q CB 2.280 31.051 28.738 0.055 0.000 1.362 268 Q HN 0.521 nan 8.270 nan 0.000 0.431 269 F N 1.920 121.875 119.950 0.008 0.000 2.410 269 F HA 0.525 5.052 4.527 0.000 0.000 0.349 269 F C -0.926 174.869 175.800 -0.010 0.000 1.117 269 F CA -0.820 57.180 58.000 -0.001 0.000 1.104 269 F CB 1.218 40.216 39.000 -0.003 0.000 1.122 269 F HN 0.571 nan 8.300 nan 0.000 0.483 270 R N 7.279 127.399 120.500 -0.633 0.000 2.337 270 R HA 0.278 4.618 4.340 0.000 0.000 0.319 270 R C 0.930 176.615 176.300 -1.025 0.000 0.954 270 R CA -0.530 55.178 56.100 -0.653 0.000 0.840 270 R CB 1.643 31.788 30.300 -0.259 0.000 1.164 270 R HN 0.952 nan 8.270 nan 0.000 0.472 271 M N 2.261 121.144 119.600 -1.195 0.000 2.200 271 M HA 0.006 4.486 4.480 0.000 0.000 0.265 271 M C -0.544 175.370 176.300 -0.642 0.000 1.066 271 M CA 1.756 56.468 55.300 -0.980 0.000 1.127 271 M CB 0.465 32.496 32.600 -0.948 0.000 1.379 271 M HN 0.470 nan 8.290 nan 0.000 0.420 272 Y N -0.299 119.887 120.300 -0.189 0.000 2.446 272 Y HA 0.698 5.248 4.550 0.000 0.000 0.345 272 Y C -0.494 175.341 175.900 -0.107 0.000 0.984 272 Y CA -1.274 56.764 58.100 -0.104 0.000 1.058 272 Y CB 1.618 40.047 38.460 -0.053 0.000 1.220 272 Y HN 0.044 nan 8.280 nan 0.000 0.455 273 A N 1.673 124.535 122.820 0.070 0.000 2.513 273 A HA 0.682 5.002 4.320 0.000 0.000 0.296 273 A C 0.153 177.728 177.584 -0.015 0.000 1.052 273 A CA -0.201 51.841 52.037 0.007 0.000 0.714 273 A CB 0.680 19.664 19.000 -0.028 0.000 1.279 273 A HN 1.470 nan 8.150 nan 0.000 0.397 274 G N 1.302 110.089 108.800 -0.022 0.000 2.594 274 G HA2 0.448 4.408 3.960 0.000 0.000 0.297 274 G HA3 0.448 4.408 3.960 0.000 0.000 0.297 274 G C 1.521 176.383 174.900 -0.064 0.000 1.273 274 G CA 1.297 46.370 45.100 -0.045 0.000 0.974 274 G HN 3.224 nan 8.290 nan 0.000 0.552 275 G N -3.811 104.928 108.800 -0.102 0.000 2.662 275 G HA2 0.391 4.351 3.960 0.000 0.000 0.686 275 G HA3 0.391 4.351 3.960 0.000 0.000 0.686 275 G C -0.172 174.642 174.900 -0.144 0.000 1.271 275 G CA 0.374 45.386 45.100 -0.146 0.000 0.816 275 G HN 1.943 nan 8.290 nan 0.000 0.608 276 T N 1.975 116.386 114.554 -0.238 0.000 2.799 276 T HA 0.499 4.849 4.350 0.000 0.000 0.296 276 T C 1.409 176.072 174.700 -0.063 0.000 0.947 276 T CA 0.792 62.780 62.100 -0.186 0.000 1.141 276 T CB 0.495 69.139 68.868 -0.372 0.000 0.891 276 T HN 1.386 nan 8.240 nan 0.000 0.533 277 T N 2.052 116.571 114.554 -0.058 0.000 2.766 277 T HA 0.133 4.483 4.350 0.000 0.000 0.295 277 T C 1.355 175.983 174.700 -0.120 0.000 1.024 277 T CA -0.572 61.486 62.100 -0.069 0.000 1.018 277 T CB 0.758 69.580 68.868 -0.076 0.000 1.002 277 T HN 0.589 nan 8.240 nan 0.000 0.532 278 Q N -0.109 119.571 119.800 -0.200 0.000 2.119 278 Q HA -0.097 4.243 4.340 0.000 0.000 0.201 278 Q C 2.278 178.039 176.000 -0.398 0.000 0.972 278 Q CA 1.119 56.649 55.803 -0.456 0.000 0.847 278 Q CB 0.016 28.552 28.738 -0.337 0.000 0.903 278 Q HN 0.682 nan 8.270 nan 0.000 0.433 279 E N 0.954 121.032 120.200 -0.203 0.000 2.150 279 E HA -0.155 4.195 4.350 0.000 0.000 0.193 279 E C 1.576 178.098 176.600 -0.129 0.000 0.985 279 E CA 0.828 57.144 56.400 -0.140 0.000 0.814 279 E CB 0.040 29.686 29.700 -0.089 0.000 0.752 279 E HN 0.458 nan 8.360 nan 0.000 0.466 280 E N -0.164 119.966 120.200 -0.116 0.000 2.204 280 E HA -0.060 4.290 4.350 0.000 0.000 0.194 280 E C 1.938 178.504 176.600 -0.057 0.000 0.989 280 E CA 0.446 56.803 56.400 -0.072 0.000 0.824 280 E CB 0.079 29.754 29.700 -0.042 0.000 0.756 280 E HN 0.132 nan 8.360 nan 0.000 0.477 281 M N 0.252 119.785 119.600 -0.111 0.000 2.287 281 M HA -0.049 4.431 4.480 0.000 0.000 0.266 281 M C 1.813 178.069 176.300 -0.074 0.000 1.079 281 M CA 1.170 56.432 55.300 -0.064 0.000 1.146 281 M CB -0.095 32.383 32.600 -0.202 0.000 1.374 281 M HN -0.061 nan 8.290 nan 0.000 0.435 282 K N -0.174 120.143 120.400 -0.138 0.000 2.097 282 K HA -0.181 4.139 4.320 0.000 0.000 0.205 282 K C 1.280 177.822 176.600 -0.097 0.000 1.050 282 K CA 1.470 57.731 56.287 -0.043 0.000 0.938 282 K CB -0.144 32.336 32.500 -0.034 0.000 0.718 282 K HN 0.178 nan 8.250 nan 0.000 0.442 283 D N 0.145 120.473 120.400 -0.120 0.000 2.340 283 D HA 0.060 4.700 4.640 0.000 0.000 0.220 283 D C 1.453 177.633 176.300 -0.200 0.000 1.039 283 D CA 0.313 54.233 54.000 -0.133 0.000 0.866 283 D CB 0.229 40.972 40.800 -0.096 0.000 0.913 283 D HN 0.160 nan 8.370 nan 0.000 0.523 284 A N 1.046 123.698 122.820 -0.280 0.000 1.978 284 A HA -0.093 4.227 4.320 0.000 0.000 0.220 284 A C -0.303 176.834 177.584 -0.745 0.000 1.170 284 A CA 0.989 52.758 52.037 -0.446 0.000 0.636 284 A CB -1.364 17.349 19.000 -0.479 0.000 0.810 284 A HN 0.271 nan 8.150 nan 0.000 0.448 285 P HA -0.034 nan 4.420 nan 0.000 0.233 285 P C 0.753 177.925 177.300 -0.214 0.000 1.167 285 P CA 0.654 63.215 63.100 -0.898 0.000 0.770 285 P CB -0.039 31.168 31.700 -0.822 0.000 0.837 286 N N -0.479 118.131 118.700 -0.151 0.000 2.467 286 N HA 0.051 4.792 4.740 0.000 0.000 0.184 286 N C 0.788 176.303 175.510 0.008 0.000 1.106 286 N CA 0.123 53.148 53.050 -0.041 0.000 0.892 286 N CB -0.121 38.324 38.487 -0.069 0.000 0.969 286 N HN 0.084 nan 8.380 nan 0.000 0.454 287 A N 0.416 123.261 122.820 0.042 0.000 2.386 287 A HA 0.183 4.503 4.320 0.000 0.000 0.246 287 A C 1.571 179.057 177.584 -0.164 0.000 1.089 287 A CA -0.279 51.744 52.037 -0.024 0.000 0.790 287 A CB 0.329 19.347 19.000 0.029 0.000 1.042 287 A HN 0.159 nan 8.150 nan 0.000 0.497 288 L N 0.178 121.302 121.223 -0.165 0.000 2.046 288 L HA -0.062 4.278 4.340 0.000 0.000 0.208 288 L C 1.170 177.826 176.870 -0.357 0.000 1.077 288 L CA 1.365 56.096 54.840 -0.183 0.000 0.747 288 L CB -0.293 41.703 42.059 -0.106 0.000 0.896 288 L HN 0.837 nan 8.230 nan 0.000 0.432 289 N N -2.541 115.902 118.700 -0.428 0.000 3.339 289 N HA 0.261 5.001 4.740 0.000 0.000 0.275 289 N C -1.450 173.969 175.510 -0.151 0.000 1.514 289 N CA -0.368 52.428 53.050 -0.423 0.000 0.879 289 N CB 1.796 40.192 38.487 -0.151 0.000 1.557 289 N HN -0.339 nan 8.380 nan 0.000 0.524 290 T N 0.281 114.892 114.554 0.094 0.000 3.011 290 T HA 0.448 4.798 4.350 0.000 0.000 0.303 290 T C -1.086 173.708 174.700 0.157 0.000 0.997 290 T CA -0.327 61.924 62.100 0.252 0.000 1.007 290 T CB 1.333 70.513 68.868 0.521 0.000 1.017 290 T HN 0.175 nan 8.240 nan 0.000 0.443 291 V N 5.237 125.233 119.914 0.137 0.000 2.370 291 V HA 0.464 4.584 4.120 0.000 0.000 0.279 291 V C -0.221 175.919 176.094 0.076 0.000 1.029 291 V CA -0.760 61.602 62.300 0.104 0.000 0.870 291 V CB 1.204 33.115 31.823 0.147 0.000 0.984 291 V HN 0.699 nan 8.190 nan 0.000 0.451 292 L N 6.047 127.277 121.223 0.012 0.000 2.265 292 L HA 0.416 4.756 4.340 0.000 0.000 0.289 292 L C 1.014 177.825 176.870 -0.099 0.000 1.033 292 L CA -0.375 54.425 54.840 -0.067 0.000 0.814 292 L CB 1.244 43.239 42.059 -0.105 0.000 1.203 292 L HN 0.580 nan 8.230 nan 0.000 0.423 293 L N 2.189 123.330 121.223 -0.136 0.000 2.217 293 L HA -0.035 4.305 4.340 0.000 0.000 0.211 293 L C 0.785 177.540 176.870 -0.191 0.000 1.107 293 L CA 1.124 55.862 54.840 -0.171 0.000 0.783 293 L CB -0.128 41.808 42.059 -0.206 0.000 0.919 293 L HN 0.713 nan 8.230 nan 0.000 0.442 294 Q N 0.062 119.697 119.800 -0.274 0.000 2.965 294 Q HA 0.173 4.513 4.340 0.000 0.000 0.288 294 Q C -1.744 174.023 176.000 -0.388 0.000 0.974 294 Q CA -1.444 54.163 55.803 -0.325 0.000 0.849 294 Q CB 1.227 29.661 28.738 -0.507 0.000 1.280 294 Q HN 0.063 nan 8.270 nan 0.000 0.441 295 P HA -0.188 nan 4.420 nan 0.000 0.217 295 P C 0.398 177.510 177.300 -0.314 0.000 1.148 295 P CA 1.243 64.166 63.100 -0.295 0.000 0.828 295 P CB 0.114 31.606 31.700 -0.347 0.000 0.783 296 W N 0.386 121.647 121.300 -0.065 0.000 2.961 296 W HA -0.033 4.627 4.660 0.000 0.000 0.240 296 W C 2.035 178.588 176.519 0.057 0.000 1.305 296 W CA 0.719 58.088 57.345 0.041 0.000 1.465 296 W CB -0.639 28.907 29.460 0.143 0.000 1.135 296 W HN 0.331 nan 8.180 nan 0.000 0.688 297 H N -2.849 116.299 119.070 0.130 0.000 3.007 297 H HA 0.326 4.882 4.556 0.000 0.000 0.251 297 H C 0.264 175.623 175.328 0.051 0.000 1.188 297 H CA -0.209 55.880 56.048 0.068 0.000 1.017 297 H CB -0.414 29.354 29.762 0.009 0.000 1.805 297 H HN 0.164 nan 8.280 nan 0.000 0.659 298 L N 1.620 122.833 121.223 -0.017 0.000 3.255 298 L HA 0.229 4.569 4.340 0.000 0.000 0.293 298 L C 1.122 177.993 176.870 0.002 0.000 1.302 298 L CA -0.032 54.810 54.840 0.003 0.000 0.977 298 L CB 0.723 42.701 42.059 -0.135 0.000 1.390 298 L HN 0.188 nan 8.230 nan 0.000 0.588 299 E N 0.473 120.687 120.200 0.023 0.000 2.107 299 E HA -0.217 4.133 4.350 0.000 0.000 0.191 299 E C 1.670 178.286 176.600 0.027 0.000 0.982 299 E CA 0.838 57.236 56.400 -0.002 0.000 0.809 299 E CB 0.343 30.048 29.700 0.009 0.000 0.756 299 E HN 0.361 nan 8.360 nan 0.000 0.459 300 K N 0.746 121.183 120.400 0.062 0.000 2.167 300 K HA -0.048 4.272 4.320 0.000 0.000 0.203 300 K C 2.096 178.745 176.600 0.081 0.000 1.052 300 K CA 1.159 57.483 56.287 0.062 0.000 0.956 300 K CB 0.145 32.682 32.500 0.062 0.000 0.735 300 K HN -0.088 nan 8.250 nan 0.000 0.451 301 T N 0.905 115.527 114.554 0.114 0.000 2.737 301 T HA -0.120 4.230 4.350 0.000 0.000 0.265 301 T C 1.621 176.368 174.700 0.080 0.000 1.038 301 T CA 1.434 63.630 62.100 0.160 0.000 1.144 301 T CB -0.088 68.930 68.868 0.250 0.000 0.866 301 T HN 0.299 nan 8.240 nan 0.000 0.434 302 K N 1.074 121.493 120.400 0.031 0.000 2.063 302 K HA -0.141 4.179 4.320 0.000 0.000 0.208 302 K C 2.167 178.755 176.600 -0.019 0.000 1.048 302 K CA 1.451 57.732 56.287 -0.010 0.000 0.928 302 K CB -0.037 32.437 32.500 -0.043 0.000 0.713 302 K HN 0.189 nan 8.250 nan 0.000 0.442 303 K N -0.547 119.855 120.400 0.002 0.000 2.147 303 K HA -0.149 4.171 4.320 0.000 0.000 0.205 303 K C 1.931 178.525 176.600 -0.009 0.000 1.049 303 K CA 1.374 57.660 56.287 -0.001 0.000 0.936 303 K CB -0.170 32.342 32.500 0.019 0.000 0.722 303 K HN 0.170 nan 8.250 nan 0.000 0.446 304 F N 0.638 120.495 119.950 -0.156 0.000 2.234 304 F HA -0.102 4.425 4.527 0.000 0.000 0.296 304 F C 1.740 177.290 175.800 -0.417 0.000 1.089 304 F CA 0.685 58.536 58.000 -0.247 0.000 1.343 304 F CB 0.053 38.888 39.000 -0.274 0.000 1.040 304 F HN -0.296 nan 8.300 nan 0.000 0.498 305 V N 0.432 120.104 119.914 -0.404 0.000 2.379 305 V HA -0.233 3.887 4.120 0.000 0.000 0.245 305 V C 2.165 178.114 176.094 -0.242 0.000 1.044 305 V CA 2.214 64.192 62.300 -0.536 0.000 1.036 305 V CB -0.579 31.104 31.823 -0.232 0.000 0.664 305 V HN 0.311 nan 8.190 nan 0.000 0.453 306 E N 0.295 120.416 120.200 -0.131 0.000 2.072 306 E HA -0.076 4.274 4.350 0.000 0.000 0.190 306 E C 2.324 178.865 176.600 -0.099 0.000 0.982 306 E CA 1.116 57.482 56.400 -0.056 0.000 0.803 306 E CB -0.441 29.241 29.700 -0.029 0.000 0.755 306 E HN 0.617 nan 8.360 nan 0.000 0.453 307 G N 0.644 109.353 108.800 -0.153 0.000 2.414 307 G HA2 -0.227 3.733 3.960 0.000 0.000 0.215 307 G HA3 -0.227 3.733 3.960 0.000 0.000 0.215 307 G C 1.615 176.388 174.900 -0.213 0.000 1.188 307 G CA 1.375 46.384 45.100 -0.151 0.000 0.783 307 G HN 0.171 nan 8.290 nan 0.000 0.537 308 T N -0.557 113.737 114.554 -0.433 0.000 2.925 308 T HA 0.000 4.350 4.350 0.000 0.000 0.245 308 T C 1.954 176.540 174.700 -0.190 0.000 1.025 308 T CA 0.547 62.382 62.100 -0.443 0.000 1.149 308 T CB -0.139 68.134 68.868 -0.991 0.000 0.866 308 T HN 0.350 nan 8.240 nan 0.000 0.437 309 W N 1.673 122.674 121.300 -0.499 0.000 2.525 309 W HA 0.252 4.912 4.660 0.000 0.000 0.259 309 W C 0.969 177.285 176.519 -0.338 0.000 1.253 309 W CA -0.171 56.902 57.345 -0.454 0.000 1.262 309 W CB -0.685 28.378 29.460 -0.663 0.000 1.122 309 W HN 0.217 nan 8.180 nan 0.000 0.607 310 K N -1.234 119.167 120.400 0.001 0.000 3.209 310 K HA -0.249 4.071 4.320 0.000 0.000 0.289 310 K C -0.289 176.420 176.600 0.182 0.000 1.191 310 K CA 0.708 57.028 56.287 0.055 0.000 0.851 310 K CB -2.142 30.388 32.500 0.050 0.000 1.242 310 K HN 0.388 nan 8.250 nan 0.000 0.480 311 H N 0.455 119.597 119.070 0.119 0.000 2.525 311 H HA 0.173 4.729 4.556 -0.000 0.000 0.339 311 H C -0.044 175.321 175.328 0.062 0.000 1.109 311 H CA -0.628 55.487 56.048 0.112 0.000 1.352 311 H CB 0.833 30.712 29.762 0.196 0.000 1.461 311 H HN 0.099 nan 8.280 nan 0.000 0.533 312 E N 2.941 123.231 120.200 0.150 0.000 1.964 312 E HA 0.096 4.446 4.350 0.000 0.000 0.264 312 E C -0.481 176.152 176.600 0.055 0.000 1.120 312 E CA -0.440 56.003 56.400 0.072 0.000 1.061 312 E CB 0.519 30.240 29.700 0.035 0.000 1.190 312 E HN 0.280 nan 8.360 nan 0.000 0.459 313 V N 4.196 124.152 119.914 0.070 0.000 2.557 313 V HA -0.030 4.090 4.120 0.000 0.000 0.301 313 V C -1.847 174.249 176.094 0.002 0.000 1.026 313 V CA -0.919 61.408 62.300 0.046 0.000 1.137 313 V CB -0.293 31.553 31.823 0.038 0.000 0.917 313 V HN 0.457 nan 8.190 nan 0.000 0.484 314 P HA 0.164 nan 4.420 nan 0.000 0.271 314 P C -0.378 176.892 177.300 -0.050 0.000 1.216 314 P CA -0.528 62.556 63.100 -0.026 0.000 0.776 314 P CB 0.430 32.115 31.700 -0.025 0.000 0.881 315 K N 3.795 124.159 120.400 -0.060 0.000 2.262 315 K HA 0.305 4.625 4.320 0.000 0.000 0.288 315 K C -1.087 175.454 176.600 -0.099 0.000 1.090 315 K CA -0.222 56.010 56.287 -0.092 0.000 0.918 315 K CB -0.971 31.479 32.500 -0.084 0.000 1.139 315 K HN 0.304 nan 8.250 nan 0.000 0.462 316 L N 3.845 124.994 121.223 -0.122 0.000 2.401 316 L HA 0.433 4.773 4.340 0.000 0.000 0.266 316 L C -0.019 176.717 176.870 -0.225 0.000 0.991 316 L CA -0.503 54.256 54.840 -0.134 0.000 0.818 316 L CB 1.860 43.897 42.059 -0.035 0.000 1.321 316 L HN 0.532 nan 8.230 nan 0.000 0.413 317 N N 1.960 120.426 118.700 -0.390 0.000 2.448 317 N HA 0.395 5.135 4.740 0.000 0.000 0.274 317 N C -0.312 175.011 175.510 -0.312 0.000 1.239 317 N CA -0.659 52.057 53.050 -0.557 0.000 0.982 317 N CB 1.375 38.940 38.487 -1.536 0.000 1.199 317 N HN 0.551 nan 8.380 nan 0.000 0.576 318 I N 2.230 122.687 120.570 -0.187 0.000 2.710 318 I HA 0.023 4.193 4.170 0.000 0.000 0.286 318 I C -1.822 174.328 176.117 0.056 0.000 1.181 318 I CA -1.319 59.962 61.300 -0.032 0.000 1.430 318 I CB 0.814 38.870 38.000 0.093 0.000 1.367 318 I HN 0.277 nan 8.210 nan 0.000 0.577 319 P HA 0.182 nan 4.420 nan 0.000 0.238 319 P C -1.100 176.137 177.300 -0.106 0.000 1.794 319 P CA 0.130 63.160 63.100 -0.116 0.000 1.088 319 P CB -0.041 31.347 31.700 -0.520 0.000 1.923 320 M N 1.483 121.114 119.600 0.052 0.000 2.395 320 M HA 0.591 5.071 4.480 0.000 0.000 0.307 320 M C 0.487 176.691 176.300 -0.161 0.000 1.091 320 M CA 0.089 55.328 55.300 -0.102 0.000 0.919 320 M CB 2.641 35.208 32.600 -0.055 0.000 1.662 320 M HN 0.396 nan 8.290 nan 0.000 0.440 321 G N 1.165 109.732 108.800 -0.388 0.000 2.757 321 G HA2 -0.183 3.777 3.960 0.000 0.000 0.638 321 G HA3 -0.183 3.777 3.960 0.000 0.000 0.638 321 G C -0.317 174.546 174.900 -0.062 0.000 1.344 321 G CA -0.401 44.518 45.100 -0.301 0.000 0.855 321 G HN 0.698 nan 8.290 nan 0.000 0.537 322 L N 0.023 121.317 121.223 0.118 0.000 1.988 322 L HA 0.111 4.451 4.340 0.000 0.000 0.207 322 L C 2.584 179.546 176.870 0.153 0.000 1.071 322 L CA 3.007 57.957 54.840 0.184 0.000 0.744 322 L CB -0.792 41.378 42.059 0.184 0.000 0.893 322 L HN 0.676 nan 8.230 nan 0.000 0.433 323 D N -1.077 119.366 120.400 0.072 0.000 2.092 323 D HA -0.234 4.406 4.640 0.000 0.000 0.193 323 D C 2.015 178.488 176.300 0.289 0.000 0.994 323 D CA 1.433 55.510 54.000 0.129 0.000 0.828 323 D CB -0.417 40.419 40.800 0.059 0.000 0.963 323 D HN 0.418 nan 8.370 nan 0.000 0.450 324 W N 1.205 122.535 121.300 0.050 0.000 2.465 324 W HA 0.003 4.663 4.660 0.000 0.000 0.268 324 W C 2.237 178.765 176.519 0.014 0.000 1.242 324 W CA 0.551 57.916 57.345 0.032 0.000 1.248 324 W CB -1.362 28.104 29.460 0.010 0.000 1.118 324 W HN -0.027 nan 8.180 nan 0.000 0.587 325 T N -0.268 114.383 114.554 0.161 0.000 2.896 325 T HA -0.115 4.235 4.350 0.000 0.000 0.263 325 T C 1.221 175.972 174.700 0.085 0.000 1.050 325 T CA 1.433 63.523 62.100 -0.016 0.000 1.140 325 T CB -0.168 68.466 68.868 -0.390 0.000 0.877 325 T HN -0.064 nan 8.240 nan 0.000 0.457 326 D N 1.626 122.127 120.400 0.170 0.000 2.097 326 D HA -0.084 4.556 4.640 0.000 0.000 0.195 326 D C 2.165 178.558 176.300 0.154 0.000 0.989 326 D CA 1.058 55.176 54.000 0.197 0.000 0.827 326 D CB -0.238 40.680 40.800 0.196 0.000 0.966 326 D HN 0.493 nan 8.370 nan 0.000 0.456 327 E N -0.373 119.934 120.200 0.179 0.000 2.077 327 E HA -0.165 4.185 4.350 0.000 0.000 0.193 327 E C 1.944 178.612 176.600 0.113 0.000 0.989 327 E CA 0.487 56.970 56.400 0.138 0.000 0.800 327 E CB -0.200 29.595 29.700 0.158 0.000 0.746 327 E HN 0.257 nan 8.360 nan 0.000 0.452 328 F N 1.402 121.355 119.950 0.005 0.000 2.113 328 F HA -0.154 4.373 4.527 0.000 0.000 0.297 328 F C 1.919 177.701 175.800 -0.030 0.000 1.103 328 F CA 1.261 59.242 58.000 -0.032 0.000 1.248 328 F CB -0.204 38.762 39.000 -0.058 0.000 0.999 328 F HN -0.103 nan 8.300 nan 0.000 0.475 329 L N -0.247 120.937 121.223 -0.065 0.000 2.083 329 L HA -0.251 4.089 4.340 0.000 0.000 0.209 329 L C 2.546 179.326 176.870 -0.150 0.000 1.083 329 L CA 1.534 56.275 54.840 -0.165 0.000 0.752 329 L CB -0.600 41.479 42.059 0.033 0.000 0.899 329 L HN 0.259 nan 8.230 nan 0.000 0.433 330 M N -0.910 118.652 119.600 -0.064 0.000 2.319 330 M HA -0.167 4.313 4.480 0.000 0.000 0.265 330 M C 2.177 178.426 176.300 -0.084 0.000 1.068 330 M CA 1.248 56.520 55.300 -0.047 0.000 1.118 330 M CB -0.128 32.473 32.600 0.002 0.000 1.395 330 M HN 0.008 nan 8.290 nan 0.000 0.435 331 K N 0.421 120.746 120.400 -0.125 0.000 2.116 331 K HA -0.006 4.314 4.320 0.000 0.000 0.203 331 K C 1.585 178.076 176.600 -0.183 0.000 1.052 331 K CA 0.913 57.124 56.287 -0.128 0.000 0.952 331 K CB -0.215 32.216 32.500 -0.115 0.000 0.729 331 K HN 0.068 nan 8.250 nan 0.000 0.446 332 V N 0.377 120.101 119.914 -0.316 0.000 2.515 332 V HA -0.193 3.927 4.120 0.000 0.000 0.250 332 V C 2.284 178.270 176.094 -0.180 0.000 1.058 332 V CA 1.961 64.067 62.300 -0.323 0.000 1.064 332 V CB -0.383 31.090 31.823 -0.583 0.000 0.675 332 V HN 0.454 nan 8.190 nan 0.000 0.461 333 S N -0.622 114.990 115.700 -0.147 0.000 2.355 333 S HA -0.253 4.217 4.470 0.000 0.000 0.222 333 S C 2.071 176.634 174.600 -0.063 0.000 1.031 333 S CA 2.008 60.159 58.200 -0.083 0.000 0.993 333 S CB -0.221 62.944 63.200 -0.058 0.000 0.859 333 S HN 0.718 nan 8.310 nan 0.000 0.453 334 E N 0.292 120.453 120.200 -0.066 0.000 2.017 334 E HA -0.144 4.206 4.350 0.000 0.000 0.193 334 E C 2.072 178.641 176.600 -0.050 0.000 0.997 334 E CA 1.676 58.047 56.400 -0.049 0.000 0.804 334 E CB -0.303 29.369 29.700 -0.048 0.000 0.757 334 E HN 0.656 nan 8.360 nan 0.000 0.448 335 I N 1.004 121.535 120.570 -0.065 0.000 2.226 335 I HA -0.257 3.913 4.170 0.000 0.000 0.245 335 I C 2.711 178.797 176.117 -0.053 0.000 1.100 335 I CA 1.495 62.758 61.300 -0.061 0.000 1.374 335 I CB -0.292 37.663 38.000 -0.075 0.000 1.057 335 I HN 0.197 nan 8.210 nan 0.000 0.413 336 S N -0.024 115.645 115.700 -0.053 0.000 2.446 336 S HA 0.149 4.619 4.470 0.000 0.000 0.225 336 S C 1.773 176.356 174.600 -0.028 0.000 1.016 336 S CA 0.541 58.720 58.200 -0.036 0.000 0.943 336 S CB 0.411 63.593 63.200 -0.030 0.000 0.786 336 S HN 0.605 nan 8.310 nan 0.000 0.508 337 G N 0.431 109.213 108.800 -0.030 0.000 2.176 337 G HA2 -0.185 3.775 3.960 0.000 0.000 0.253 337 G HA3 -0.185 3.775 3.960 0.000 0.000 0.253 337 G C -0.177 174.713 174.900 -0.017 0.000 0.979 337 G CA 0.026 45.112 45.100 -0.022 0.000 0.641 337 G HN 0.521 nan 8.290 nan 0.000 0.530 338 Q N 1.005 120.794 119.800 -0.019 0.000 2.257 338 Q HA 0.431 4.771 4.340 0.000 0.000 0.255 338 Q C -2.210 173.781 176.000 -0.014 0.000 0.920 338 Q CA -1.654 54.142 55.803 -0.012 0.000 0.927 338 Q CB 2.255 30.989 28.738 -0.007 0.000 1.229 338 Q HN 0.371 nan 8.270 nan 0.000 0.433 339 P HA 0.248 nan 4.420 nan 0.000 0.277 339 P C -0.171 177.131 177.300 0.003 0.000 1.240 339 P CA -0.398 62.700 63.100 -0.003 0.000 0.798 339 P CB 1.023 32.723 31.700 0.001 0.000 0.979 340 I N 4.077 124.652 120.570 0.008 0.000 2.494 340 I HA 0.086 4.256 4.170 0.000 0.000 0.289 340 I C -1.183 174.951 176.117 0.028 0.000 1.106 340 I CA -1.600 59.714 61.300 0.024 0.000 1.369 340 I CB 0.057 38.079 38.000 0.037 0.000 1.410 340 I HN 0.238 nan 8.210 nan 0.000 0.523 341 P HA 0.048 nan 4.420 nan 0.000 0.270 341 P C 0.511 177.828 177.300 0.028 0.000 1.223 341 P CA -0.293 62.824 63.100 0.027 0.000 0.785 341 P CB 1.044 32.761 31.700 0.029 0.000 0.923 342 A N 2.191 125.022 122.820 0.019 0.000 1.986 342 A HA -0.216 4.104 4.320 0.000 0.000 0.220 342 A C 2.298 179.889 177.584 0.012 0.000 1.171 342 A CA 2.442 54.486 52.037 0.012 0.000 0.640 342 A CB -1.675 17.330 19.000 0.008 0.000 0.811 342 A HN 0.719 nan 8.150 nan 0.000 0.451 343 S N -0.103 115.610 115.700 0.021 0.000 2.368 343 S HA -0.075 4.395 4.470 0.000 0.000 0.224 343 S C 1.860 176.481 174.600 0.035 0.000 1.029 343 S CA 1.447 59.662 58.200 0.025 0.000 0.988 343 S CB -0.666 62.553 63.200 0.032 0.000 0.838 343 S HN 0.457 nan 8.310 nan 0.000 0.462 344 L N 1.148 122.408 121.223 0.061 0.000 2.156 344 L HA -0.035 4.305 4.340 0.000 0.000 0.208 344 L C 2.890 179.787 176.870 0.044 0.000 1.095 344 L CA 1.371 56.279 54.840 0.115 0.000 0.770 344 L CB -1.050 41.110 42.059 0.168 0.000 0.914 344 L HN 0.382 nan 8.230 nan 0.000 0.439 345 T N -0.579 113.985 114.554 0.016 0.000 2.746 345 T HA -0.243 4.107 4.350 0.000 0.000 0.267 345 T C 1.904 176.555 174.700 -0.081 0.000 1.039 345 T CA 1.441 63.525 62.100 -0.028 0.000 1.142 345 T CB -0.074 68.790 68.868 -0.007 0.000 0.866 345 T HN 0.218 nan 8.240 nan 0.000 0.444 346 K N 0.964 121.331 120.400 -0.056 0.000 2.097 346 K HA -0.084 4.236 4.320 0.000 0.000 0.205 346 K C 2.356 178.894 176.600 -0.104 0.000 1.050 346 K CA 1.232 57.480 56.287 -0.064 0.000 0.938 346 K CB -0.033 32.447 32.500 -0.032 0.000 0.718 346 K HN 0.363 nan 8.250 nan 0.000 0.442 347 E N 0.497 120.631 120.200 -0.110 0.000 2.110 347 E HA -0.225 4.125 4.350 0.000 0.000 0.193 347 E C 2.144 178.518 176.600 -0.377 0.000 0.988 347 E CA 0.905 57.222 56.400 -0.138 0.000 0.804 347 E CB 0.059 29.755 29.700 -0.006 0.000 0.745 347 E HN 0.221 nan 8.360 nan 0.000 0.458 348 R N -0.379 119.731 120.500 -0.650 0.000 2.081 348 R HA -0.106 4.234 4.340 0.000 0.000 0.235 348 R C 2.321 178.385 176.300 -0.393 0.000 1.131 348 R CA 1.468 57.006 56.100 -0.937 0.000 0.960 348 R CB -0.448 29.395 30.300 -0.762 0.000 0.856 348 R HN 0.231 nan 8.270 nan 0.000 0.436 349 G N -0.018 108.641 108.800 -0.235 0.000 2.471 349 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 349 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 349 G C 1.379 176.220 174.900 -0.098 0.000 1.125 349 G CA 0.167 45.189 45.100 -0.129 0.000 0.775 349 G HN 0.308 nan 8.290 nan 0.000 0.548 350 R N -0.881 119.554 120.500 -0.109 0.000 2.153 350 R HA 0.140 4.480 4.340 0.000 0.000 0.218 350 R C 2.286 178.560 176.300 -0.044 0.000 1.072 350 R CA 0.496 56.558 56.100 -0.063 0.000 0.990 350 R CB -0.214 30.055 30.300 -0.053 0.000 0.889 350 R HN 0.379 nan 8.270 nan 0.000 0.452 351 L N 0.297 121.479 121.223 -0.069 0.000 2.095 351 L HA -0.047 4.293 4.340 0.000 0.000 0.204 351 L C 1.821 178.697 176.870 0.010 0.000 1.080 351 L CA 1.491 56.328 54.840 -0.006 0.000 0.759 351 L CB -0.147 41.919 42.059 0.011 0.000 0.914 351 L HN -0.149 nan 8.230 nan 0.000 0.439 352 V N 0.189 120.085 119.914 -0.029 0.000 2.427 352 V HA -0.274 3.846 4.120 0.000 0.000 0.248 352 V C 2.305 178.392 176.094 -0.012 0.000 1.051 352 V CA 1.847 64.137 62.300 -0.017 0.000 1.048 352 V CB -0.884 30.916 31.823 -0.038 0.000 0.666 352 V HN 0.578 nan 8.190 nan 0.000 0.456 353 D N -0.028 120.363 120.400 -0.016 0.000 2.084 353 D HA -0.222 4.418 4.640 0.000 0.000 0.194 353 D C 2.193 178.503 176.300 0.016 0.000 0.990 353 D CA 1.750 55.748 54.000 -0.004 0.000 0.826 353 D CB -0.166 40.628 40.800 -0.010 0.000 0.971 353 D HN 0.328 nan 8.370 nan 0.000 0.453 354 M N -0.639 118.973 119.600 0.021 0.000 2.149 354 M HA -0.164 4.316 4.480 0.000 0.000 0.261 354 M C 2.285 178.616 176.300 0.051 0.000 1.064 354 M CA 1.268 56.590 55.300 0.038 0.000 1.102 354 M CB -0.207 32.418 32.600 0.041 0.000 1.369 354 M HN 0.206 nan 8.290 nan 0.000 0.408 355 M N -0.607 119.019 119.600 0.042 0.000 2.175 355 M HA -0.144 4.336 4.480 0.000 0.000 0.264 355 M C 2.299 178.637 176.300 0.064 0.000 1.063 355 M CA 2.037 57.356 55.300 0.032 0.000 1.119 355 M CB -0.585 32.015 32.600 -0.001 0.000 1.377 355 M HN 0.417 nan 8.290 nan 0.000 0.415 356 T N -2.659 111.923 114.554 0.046 0.000 2.951 356 T HA -0.082 4.268 4.350 0.000 0.000 0.268 356 T C 1.253 176.069 174.700 0.193 0.000 1.073 356 T CA 1.227 63.369 62.100 0.070 0.000 1.134 356 T CB -0.340 68.527 68.868 -0.001 0.000 0.884 356 T HN 0.204 nan 8.240 nan 0.000 0.479 357 D N 1.570 122.042 120.400 0.119 0.000 2.123 357 D HA 0.056 4.696 4.640 0.000 0.000 0.200 357 D C 2.053 178.416 176.300 0.105 0.000 0.976 357 D CA 1.042 55.103 54.000 0.101 0.000 0.831 357 D CB -0.197 40.645 40.800 0.069 0.000 0.974 357 D HN 0.430 nan 8.370 nan 0.000 0.469 358 S N -0.251 115.519 115.700 0.116 0.000 2.540 358 S HA -0.048 4.422 4.470 0.000 0.000 0.218 358 S C 1.627 176.274 174.600 0.078 0.000 0.977 358 S CA -0.363 57.911 58.200 0.124 0.000 0.918 358 S CB -0.100 63.171 63.200 0.117 0.000 0.806 358 S HN 0.459 nan 8.310 nan 0.000 0.496 359 H N 1.465 120.540 119.070 0.008 0.000 2.426 359 H HA -0.076 4.480 4.556 0.000 0.000 0.298 359 H C 1.432 176.742 175.328 -0.031 0.000 1.107 359 H CA 1.746 57.783 56.048 -0.019 0.000 1.298 359 H CB -0.926 28.807 29.762 -0.048 0.000 1.377 359 H HN 0.175 nan 8.280 nan 0.000 0.519 360 T N 0.698 114.773 114.554 -0.798 0.000 2.720 360 T HA -0.175 4.175 4.350 0.000 0.000 0.268 360 T C 1.465 175.874 174.700 -0.485 0.000 1.037 360 T CA 1.920 63.566 62.100 -0.756 0.000 1.144 360 T CB -0.424 67.898 68.868 -0.910 0.000 0.864 360 T HN 0.578 nan 8.240 nan 0.000 0.444 361 W N 0.494 121.733 121.300 -0.102 0.000 2.658 361 W HA 0.340 5.000 4.660 -0.000 0.000 0.263 361 W C 1.820 178.348 176.519 0.016 0.000 1.274 361 W CA -0.256 57.073 57.345 -0.027 0.000 1.343 361 W CB -0.235 29.210 29.460 -0.025 0.000 1.106 361 W HN 0.169 nan 8.180 nan 0.000 0.615 362 L N -0.761 120.583 121.223 0.202 0.000 2.375 362 L HA 0.010 4.350 4.340 0.000 0.000 0.215 362 L C 1.344 178.276 176.870 0.104 0.000 1.108 362 L CA 0.289 55.215 54.840 0.144 0.000 0.830 362 L CB -0.675 41.423 42.059 0.064 0.000 0.959 362 L HN -0.012 nan 8.230 nan 0.000 0.457 363 H N 0.973 120.047 119.070 0.006 0.000 3.107 363 H HA -0.002 4.554 4.556 -0.000 0.000 0.301 363 H C 1.061 176.412 175.328 0.038 0.000 0.981 363 H CA 1.111 57.158 56.048 -0.002 0.000 1.443 363 H CB 0.719 30.488 29.762 0.013 0.000 1.479 363 H HN 0.360 nan 8.280 nan 0.000 0.564 364 G N 4.806 113.390 108.800 -0.360 0.000 2.155 364 G HA2 -0.255 3.705 3.960 0.000 0.000 0.257 364 G HA3 -0.255 3.705 3.960 0.000 0.000 0.257 364 G C 0.269 175.139 174.900 -0.051 0.000 0.983 364 G CA 0.079 45.082 45.100 -0.162 0.000 0.676 364 G HN 0.511 nan 8.290 nan 0.000 0.528 365 K N 0.945 121.330 120.400 -0.025 0.000 2.368 365 K HA 0.259 4.580 4.320 0.000 0.000 0.282 365 K C 0.933 177.424 176.600 -0.182 0.000 1.035 365 K CA -0.095 56.148 56.287 -0.073 0.000 0.973 365 K CB 0.519 33.027 32.500 0.013 0.000 0.957 365 K HN 0.465 nan 8.250 nan 0.000 0.474 366 R N 3.173 123.494 120.500 -0.297 0.000 2.312 366 R HA 0.407 4.747 4.340 0.000 0.000 0.311 366 R C -0.333 175.685 176.300 -0.470 0.000 1.004 366 R CA -0.426 55.523 56.100 -0.251 0.000 0.902 366 R CB 0.559 30.769 30.300 -0.150 0.000 1.073 366 R HN 0.315 nan 8.270 nan 0.000 0.457 367 F N 0.435 120.421 119.950 0.060 0.000 2.551 367 F HA 0.535 5.062 4.527 0.000 0.000 0.316 367 F C 0.093 175.969 175.800 0.127 0.000 1.089 367 F CA -0.956 57.112 58.000 0.113 0.000 0.915 367 F CB 2.100 41.160 39.000 0.099 0.000 1.186 367 F HN 0.512 nan 8.300 nan 0.000 0.456 368 A N 3.679 126.756 122.820 0.428 0.000 2.317 368 A HA 0.963 5.283 4.320 0.000 0.000 0.327 368 A C -1.161 176.716 177.584 0.488 0.000 1.178 368 A CA -0.537 51.783 52.037 0.472 0.000 0.817 368 A CB 0.846 20.145 19.000 0.499 0.000 1.189 368 A HN 0.831 nan 8.150 nan 0.000 0.489 369 L N -1.211 120.312 121.223 0.499 0.000 2.540 369 L HA 1.029 5.369 4.340 0.000 0.000 0.256 369 L C -0.909 176.320 176.870 0.599 0.000 1.001 369 L CA -0.861 54.221 54.840 0.404 0.000 0.843 369 L CB 1.322 43.493 42.059 0.187 0.000 1.436 369 L HN 1.021 nan 8.230 nan 0.000 0.410 370 W N -0.051 121.404 121.300 0.258 0.000 2.959 370 W HA 0.967 5.627 4.660 -0.000 0.000 0.358 370 W C -0.319 176.401 176.519 0.334 0.000 1.228 370 W CA -0.219 57.284 57.345 0.264 0.000 1.183 370 W CB 0.687 30.279 29.460 0.220 0.000 1.467 370 W HN 1.074 nan 8.180 nan 0.000 0.578 371 G N 0.147 109.266 108.800 0.532 0.000 2.356 371 G HA2 0.219 4.179 3.960 0.000 0.000 0.266 371 G HA3 0.219 4.179 3.960 0.000 0.000 0.266 371 G C -1.817 173.266 174.900 0.305 0.000 1.312 371 G CA -0.749 44.601 45.100 0.417 0.000 0.922 371 G HN 0.609 nan 8.290 nan 0.000 0.480 372 D N 1.684 122.240 120.400 0.259 0.000 2.313 372 D HA 0.422 5.062 4.640 0.000 0.000 0.247 372 D C -0.900 175.426 176.300 0.043 0.000 1.094 372 D CA -1.224 52.833 54.000 0.095 0.000 0.925 372 D CB 1.739 42.578 40.800 0.066 0.000 1.188 372 D HN 0.087 nan 8.370 nan 0.000 0.430 373 P HA -0.212 nan 4.420 nan 0.000 0.216 373 P C 0.249 177.601 177.300 0.085 0.000 1.154 373 P CA 1.578 64.324 63.100 -0.591 0.000 0.865 373 P CB 0.390 31.470 31.700 -1.033 0.000 0.789 374 D N -1.016 119.529 120.400 0.243 0.000 2.103 374 D HA -0.110 4.530 4.640 0.000 0.000 0.199 374 D C 1.833 178.339 176.300 0.343 0.000 0.978 374 D CA 0.669 54.878 54.000 0.348 0.000 0.829 374 D CB -0.945 40.025 40.800 0.284 0.000 0.981 374 D HN 0.103 nan 8.370 nan 0.000 0.464 375 F N 1.259 121.318 119.950 0.182 0.000 2.069 375 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 375 F C 2.107 178.011 175.800 0.172 0.000 1.113 375 F CA 0.988 59.079 58.000 0.152 0.000 1.214 375 F CB -0.572 38.509 39.000 0.135 0.000 0.978 375 F HN -0.118 nan 8.300 nan 0.000 0.474 376 V N 1.245 121.233 119.914 0.123 0.000 2.759 376 V HA -0.253 3.867 4.120 0.000 0.000 0.256 376 V C 2.234 178.432 176.094 0.173 0.000 1.080 376 V CA 1.978 64.324 62.300 0.075 0.000 1.101 376 V CB -0.299 31.710 31.823 0.311 0.000 0.698 376 V HN 0.646 nan 8.190 nan 0.000 0.477 377 M N -0.634 119.158 119.600 0.320 0.000 2.287 377 M HA 0.093 4.573 4.480 0.000 0.000 0.266 377 M C 1.934 178.411 176.300 0.294 0.000 1.079 377 M CA 1.987 57.490 55.300 0.338 0.000 1.146 377 M CB -0.428 32.447 32.600 0.458 0.000 1.374 377 M HN 0.310 nan 8.290 nan 0.000 0.435 378 G N 1.091 110.068 108.800 0.294 0.000 2.421 378 G HA2 -0.122 3.838 3.960 0.000 0.000 0.217 378 G HA3 -0.122 3.838 3.960 0.000 0.000 0.217 378 G C 1.463 176.301 174.900 -0.102 0.000 1.143 378 G CA 0.243 45.465 45.100 0.203 0.000 0.784 378 G HN 0.420 nan 8.290 nan 0.000 0.541 379 L N 0.714 121.824 121.223 -0.187 0.000 2.056 379 L HA -0.026 4.314 4.340 0.000 0.000 0.207 379 L C 2.910 179.696 176.870 -0.140 0.000 1.078 379 L CA 1.188 55.881 54.840 -0.244 0.000 0.749 379 L CB -0.407 41.365 42.059 -0.478 0.000 0.901 379 L HN 0.139 nan 8.230 nan 0.000 0.433 380 V N 0.119 119.974 119.914 -0.098 0.000 2.295 380 V HA -0.293 3.827 4.120 0.000 0.000 0.246 380 V C 2.680 178.697 176.094 -0.129 0.000 1.049 380 V CA 1.677 63.934 62.300 -0.072 0.000 1.024 380 V CB -0.553 31.258 31.823 -0.019 0.000 0.648 380 V HN 0.415 nan 8.190 nan 0.000 0.447 381 K N -0.842 119.428 120.400 -0.218 0.000 2.063 381 K HA -0.216 4.104 4.320 0.000 0.000 0.208 381 K C 2.175 178.618 176.600 -0.263 0.000 1.048 381 K CA 1.894 57.954 56.287 -0.379 0.000 0.928 381 K CB -0.369 31.540 32.500 -0.985 0.000 0.713 381 K HN 0.416 nan 8.250 nan 0.000 0.442 382 F N 1.650 121.378 119.950 -0.369 0.000 2.102 382 F HA -0.205 4.322 4.527 0.000 0.000 0.298 382 F C 2.016 177.676 175.800 -0.234 0.000 1.105 382 F CA 0.881 58.709 58.000 -0.287 0.000 1.239 382 F CB -0.608 38.238 39.000 -0.257 0.000 0.991 382 F HN -0.057 nan 8.300 nan 0.000 0.474 383 L N -0.162 120.901 121.223 -0.267 0.000 2.043 383 L HA -0.238 4.102 4.340 0.000 0.000 0.212 383 L C 2.329 179.012 176.870 -0.313 0.000 1.075 383 L CA 1.472 56.112 54.840 -0.333 0.000 0.752 383 L CB -1.380 40.554 42.059 -0.208 0.000 0.891 383 L HN 0.183 nan 8.230 nan 0.000 0.432 384 L N -0.887 120.199 121.223 -0.228 0.000 2.141 384 L HA -0.170 4.170 4.340 0.000 0.000 0.209 384 L C 2.377 179.100 176.870 -0.245 0.000 1.094 384 L CA 1.469 56.205 54.840 -0.173 0.000 0.763 384 L CB -0.513 41.496 42.059 -0.084 0.000 0.908 384 L HN 0.355 nan 8.230 nan 0.000 0.437 385 E N -1.443 118.586 120.200 -0.286 0.000 2.285 385 E HA -0.123 4.228 4.350 0.000 0.000 0.194 385 E C 1.586 177.981 176.600 -0.341 0.000 0.997 385 E CA 0.318 56.564 56.400 -0.256 0.000 0.845 385 E CB 0.083 29.666 29.700 -0.195 0.000 0.782 385 E HN 0.232 nan 8.360 nan 0.000 0.491 386 L N -0.754 120.182 121.223 -0.479 0.000 2.558 386 L HA 0.195 4.535 4.340 0.000 0.000 0.225 386 L C 1.429 178.067 176.870 -0.387 0.000 1.128 386 L CA 1.048 55.627 54.840 -0.435 0.000 0.868 386 L CB -0.013 41.724 42.059 -0.538 0.000 1.006 386 L HN 0.223 nan 8.230 nan 0.000 0.454 387 G N -1.649 106.765 108.800 -0.642 0.000 2.132 387 G HA2 -0.254 3.706 3.960 0.000 0.000 0.234 387 G HA3 -0.254 3.706 3.960 0.000 0.000 0.234 387 G C 0.363 174.747 174.900 -0.859 0.000 0.989 387 G CA 0.095 44.512 45.100 -1.139 0.000 0.676 387 G HN 0.300 nan 8.290 nan 0.000 0.522 388 C N 0.333 119.357 119.300 -0.460 0.000 2.351 388 C HA 0.680 5.140 4.460 0.000 0.000 0.359 388 C C 0.585 175.572 174.990 -0.004 0.000 1.193 388 C CA -0.694 58.251 59.018 -0.120 0.000 2.270 388 C CB 1.355 29.147 27.740 0.087 0.000 2.369 388 C HN 0.498 nan 8.230 nan 0.000 0.553 389 E N 2.565 122.825 120.200 0.100 0.000 2.073 389 E HA 0.202 4.552 4.350 0.000 0.000 0.269 389 E C -2.305 174.377 176.600 0.137 0.000 0.917 389 E CA -1.327 55.138 56.400 0.107 0.000 0.757 389 E CB 1.139 30.872 29.700 0.055 0.000 1.111 389 E HN 0.443 nan 8.360 nan 0.000 0.410 390 P HA 0.030 nan 4.420 nan 0.000 0.225 390 P C 1.033 178.384 177.300 0.085 0.000 1.813 390 P CA -0.011 63.174 63.100 0.142 0.000 1.013 390 P CB 0.334 32.089 31.700 0.092 0.000 1.961 391 V N 1.090 121.009 119.914 0.008 0.000 2.250 391 V HA -0.211 3.909 4.120 0.000 0.000 0.253 391 V C 1.151 177.174 176.094 -0.118 0.000 1.065 391 V CA 1.787 63.992 62.300 -0.157 0.000 1.039 391 V CB -1.185 30.416 31.823 -0.371 0.000 0.647 391 V HN 0.546 nan 8.190 nan 0.000 0.446 392 H N -0.706 118.505 119.070 0.235 0.000 2.551 392 H HA 0.563 5.119 4.556 -0.000 0.000 0.321 392 H C -0.552 174.985 175.328 0.349 0.000 1.028 392 H CA -0.767 55.481 56.048 0.333 0.000 1.215 392 H CB 0.967 30.905 29.762 0.294 0.000 1.414 392 H HN 0.263 nan 8.280 nan 0.000 0.480 393 I N 4.634 125.489 120.570 0.475 0.000 2.382 393 I HA 0.197 4.367 4.170 0.000 0.000 0.285 393 I C -0.411 176.011 176.117 0.508 0.000 1.007 393 I CA -0.381 61.166 61.300 0.413 0.000 1.142 393 I CB 1.654 39.814 38.000 0.267 0.000 1.289 393 I HN 0.223 nan 8.210 nan 0.000 0.453 394 L N 7.066 128.591 121.223 0.504 0.000 2.333 394 L HA 0.623 4.963 4.340 0.000 0.000 0.280 394 L C -1.090 176.009 176.870 0.382 0.000 1.004 394 L CA -0.174 54.931 54.840 0.442 0.000 0.820 394 L CB 1.679 43.934 42.059 0.327 0.000 1.247 394 L HN 0.755 nan 8.230 nan 0.000 0.416 395 C N 4.218 123.681 119.300 0.271 0.000 2.949 395 C HA 0.310 4.770 4.460 0.000 0.000 0.306 395 C C 1.345 176.395 174.990 0.100 0.000 1.045 395 C CA -0.606 58.455 59.018 0.073 0.000 1.414 395 C CB -0.190 27.299 27.740 -0.419 0.000 1.854 395 C HN 1.010 nan 8.230 nan 0.000 0.487 396 H N 3.923 123.021 119.070 0.048 0.000 2.353 396 H HA -0.094 4.462 4.556 0.000 0.000 0.298 396 H C 1.565 176.889 175.328 -0.006 0.000 1.103 396 H CA 2.667 58.733 56.048 0.032 0.000 1.293 396 H CB 0.295 30.078 29.762 0.034 0.000 1.372 396 H HN 0.839 nan 8.280 nan 0.000 0.501 397 N N 0.064 118.812 118.700 0.081 0.000 2.268 397 N HA 0.098 4.838 4.740 0.000 0.000 0.204 397 N C 0.783 176.224 175.510 -0.115 0.000 1.124 397 N CA 0.397 53.419 53.050 -0.048 0.000 0.838 397 N CB -0.330 38.081 38.487 -0.127 0.000 0.994 397 N HN 0.200 nan 8.380 nan 0.000 0.489 398 G N 0.385 109.089 108.800 -0.159 0.000 2.537 398 G HA2 0.363 4.323 3.960 0.000 0.000 0.273 398 G HA3 0.363 4.323 3.960 0.000 0.000 0.273 398 G C -0.036 174.879 174.900 0.024 0.000 1.189 398 G CA -0.539 44.403 45.100 -0.263 0.000 0.881 398 G HN 0.515 nan 8.290 nan 0.000 0.535 399 N N -1.220 117.557 118.700 0.128 0.000 2.815 399 N HA 0.294 5.034 4.740 0.000 0.000 0.315 399 N C 0.807 176.454 175.510 0.228 0.000 1.320 399 N CA -0.974 52.184 53.050 0.179 0.000 0.846 399 N CB 1.424 40.023 38.487 0.185 0.000 1.344 399 N HN 0.355 nan 8.380 nan 0.000 0.593 400 K N -0.397 120.108 120.400 0.175 0.000 2.097 400 K HA 0.014 4.334 4.320 0.000 0.000 0.206 400 K C 1.631 178.311 176.600 0.133 0.000 1.049 400 K CA 1.147 57.518 56.287 0.140 0.000 0.933 400 K CB -0.085 32.479 32.500 0.108 0.000 0.717 400 K HN 0.410 nan 8.250 nan 0.000 0.442 401 R N -0.544 120.072 120.500 0.194 0.000 2.115 401 R HA -0.148 4.192 4.340 0.000 0.000 0.230 401 R C 2.032 178.389 176.300 0.095 0.000 1.111 401 R CA 1.303 57.538 56.100 0.226 0.000 0.976 401 R CB -0.290 30.244 30.300 0.389 0.000 0.870 401 R HN 0.357 nan 8.270 nan 0.000 0.445 402 W N 2.726 123.884 121.300 -0.237 0.000 2.355 402 W HA -0.195 4.465 4.660 -0.000 0.000 0.309 402 W C 2.212 178.496 176.519 -0.392 0.000 1.206 402 W CA 1.439 58.320 57.345 -0.772 0.000 1.284 402 W CB -0.127 28.941 29.460 -0.652 0.000 1.145 402 W HN -0.099 nan 8.180 nan 0.000 0.502 403 K N 0.613 120.901 120.400 -0.187 0.000 2.103 403 K HA -0.232 4.088 4.320 0.000 0.000 0.207 403 K C 2.095 178.504 176.600 -0.317 0.000 1.048 403 K CA 1.637 57.745 56.287 -0.297 0.000 0.930 403 K CB -0.211 32.287 32.500 -0.004 0.000 0.716 403 K HN -0.052 nan 8.250 nan 0.000 0.444 404 K N 0.304 120.590 120.400 -0.190 0.000 2.025 404 K HA -0.085 4.235 4.320 0.000 0.000 0.207 404 K C 2.214 178.718 176.600 -0.159 0.000 1.049 404 K CA 1.331 57.546 56.287 -0.119 0.000 0.933 404 K CB -0.444 32.044 32.500 -0.021 0.000 0.714 404 K HN 0.276 nan 8.250 nan 0.000 0.438 405 A N 1.147 123.838 122.820 -0.215 0.000 1.883 405 A HA -0.129 4.191 4.320 0.000 0.000 0.217 405 A C 2.448 179.872 177.584 -0.266 0.000 1.186 405 A CA 1.797 53.730 52.037 -0.173 0.000 0.624 405 A CB -0.678 18.240 19.000 -0.137 0.000 0.822 405 A HN 0.085 nan 8.150 nan 0.000 0.444 406 V N 0.394 119.980 119.914 -0.546 0.000 2.667 406 V HA -0.162 3.958 4.120 0.000 0.000 0.252 406 V C 1.864 177.791 176.094 -0.278 0.000 1.065 406 V CA 1.927 63.940 62.300 -0.479 0.000 1.083 406 V CB -0.695 30.607 31.823 -0.869 0.000 0.692 406 V HN 0.464 nan 8.190 nan 0.000 0.468 407 D N 0.627 120.875 120.400 -0.254 0.000 2.183 407 D HA -0.033 4.607 4.640 0.000 0.000 0.203 407 D C 2.241 178.484 176.300 -0.096 0.000 0.969 407 D CA 1.423 55.330 54.000 -0.155 0.000 0.842 407 D CB 0.005 40.725 40.800 -0.134 0.000 0.957 407 D HN 0.439 nan 8.370 nan 0.000 0.484 408 A N 0.725 123.495 122.820 -0.083 0.000 1.930 408 A HA -0.102 4.218 4.320 0.000 0.000 0.217 408 A C 2.314 179.893 177.584 -0.009 0.000 1.175 408 A CA 0.725 52.743 52.037 -0.032 0.000 0.627 408 A CB -0.566 18.429 19.000 -0.009 0.000 0.815 408 A HN 0.173 nan 8.150 nan 0.000 0.443 409 I N -0.347 120.218 120.570 -0.008 0.000 2.252 409 I HA -0.234 3.936 4.170 0.000 0.000 0.245 409 I C 2.267 178.381 176.117 -0.006 0.000 1.102 409 I CA 1.009 62.326 61.300 0.029 0.000 1.385 409 I CB -0.337 37.698 38.000 0.058 0.000 1.064 409 I HN 0.259 nan 8.210 nan 0.000 0.414 410 L N 0.559 121.761 121.223 -0.036 0.000 2.141 410 L HA -0.163 4.177 4.340 0.000 0.000 0.209 410 L C 2.796 179.649 176.870 -0.028 0.000 1.094 410 L CA 1.125 55.944 54.840 -0.034 0.000 0.763 410 L CB -0.671 41.355 42.059 -0.055 0.000 0.908 410 L HN 0.243 nan 8.230 nan 0.000 0.437 411 A N 0.020 122.823 122.820 -0.029 0.000 1.969 411 A HA -0.049 4.271 4.320 0.000 0.000 0.218 411 A C 2.412 179.986 177.584 -0.016 0.000 1.169 411 A CA 1.357 53.378 52.037 -0.026 0.000 0.635 411 A CB -0.489 18.497 19.000 -0.024 0.000 0.810 411 A HN 0.370 nan 8.150 nan 0.000 0.445 412 A N -1.352 121.467 122.820 -0.002 0.000 2.209 412 A HA 0.337 4.657 4.320 0.000 0.000 0.212 412 A C 1.134 178.722 177.584 0.006 0.000 1.158 412 A CA 1.107 53.149 52.037 0.008 0.000 0.742 412 A CB -0.289 18.728 19.000 0.028 0.000 0.790 412 A HN 0.484 nan 8.150 nan 0.000 0.472 413 S N -1.557 114.142 115.700 -0.001 0.000 2.549 413 S HA 0.531 5.001 4.470 0.000 0.000 0.280 413 S C -2.418 172.147 174.600 -0.058 0.000 1.109 413 S CA -1.228 56.974 58.200 0.004 0.000 0.905 413 S CB 1.703 64.948 63.200 0.074 0.000 1.081 413 S HN 0.007 nan 8.310 nan 0.000 0.477 414 P HA -0.013 nan 4.420 nan 0.000 0.230 414 P C 0.407 177.467 177.300 -0.400 0.000 1.158 414 P CA 0.944 63.859 63.100 -0.307 0.000 0.769 414 P CB -0.127 31.326 31.700 -0.412 0.000 0.807 415 Y N -0.356 119.914 120.300 -0.050 0.000 2.511 415 Y HA 0.258 4.808 4.550 -0.000 0.000 0.279 415 Y C 2.341 178.207 175.900 -0.056 0.000 1.157 415 Y CA 0.527 58.587 58.100 -0.066 0.000 1.300 415 Y CB -0.343 38.069 38.460 -0.081 0.000 1.052 415 Y HN -0.028 nan 8.280 nan 0.000 0.529 416 G N -0.477 108.345 108.800 0.038 0.000 3.707 416 G HA2 0.089 4.049 3.960 0.000 0.000 0.286 416 G HA3 0.089 4.049 3.960 0.000 0.000 0.286 416 G C 0.999 175.885 174.900 -0.024 0.000 1.112 416 G CA -0.271 44.836 45.100 0.010 0.000 0.861 416 G HN 0.247 nan 8.290 nan 0.000 0.534 417 K N -0.205 120.171 120.400 -0.039 0.000 2.379 417 K HA 0.107 4.427 4.320 0.000 0.000 0.194 417 K C 0.950 177.527 176.600 -0.039 0.000 1.031 417 K CA 0.168 56.426 56.287 -0.048 0.000 1.037 417 K CB 0.338 32.798 32.500 -0.068 0.000 0.824 417 K HN 0.112 nan 8.250 nan 0.000 0.516 418 N N 0.233 118.914 118.700 -0.032 0.000 2.214 418 N HA 0.125 4.865 4.740 0.000 0.000 0.214 418 N C -0.987 174.507 175.510 -0.028 0.000 1.132 418 N CA -0.145 52.888 53.050 -0.029 0.000 0.856 418 N CB 1.283 39.751 38.487 -0.032 0.000 1.020 418 N HN 0.052 nan 8.380 nan 0.000 0.509 419 A N 0.457 123.262 122.820 -0.024 0.000 2.301 419 A HA 0.679 4.999 4.320 0.000 0.000 0.312 419 A C 0.112 177.673 177.584 -0.038 0.000 1.182 419 A CA -0.346 51.681 52.037 -0.016 0.000 0.826 419 A CB 0.376 19.371 19.000 -0.007 0.000 1.134 419 A HN 0.173 nan 8.150 nan 0.000 0.501 420 T N -0.799 113.734 114.554 -0.036 0.000 2.893 420 T HA 0.618 4.968 4.350 0.000 0.000 0.293 420 T C -0.730 173.793 174.700 -0.295 0.000 1.027 420 T CA -0.647 61.333 62.100 -0.200 0.000 0.988 420 T CB 1.255 69.957 68.868 -0.277 0.000 1.043 420 T HN 0.491 nan 8.240 nan 0.000 0.461 421 V N 2.938 122.637 119.914 -0.358 0.000 2.472 421 V HA 0.495 4.615 4.120 0.000 0.000 0.290 421 V C -1.266 174.626 176.094 -0.337 0.000 1.037 421 V CA -0.799 61.381 62.300 -0.201 0.000 0.908 421 V CB 0.788 32.533 31.823 -0.129 0.000 0.985 421 V HN 0.911 nan 8.190 nan 0.000 0.454 422 Y N 4.988 125.409 120.300 0.202 0.000 2.326 422 Y HA 0.681 5.231 4.550 0.000 0.000 0.331 422 Y C 0.220 176.229 175.900 0.181 0.000 0.962 422 Y CA -0.807 57.394 58.100 0.168 0.000 1.167 422 Y CB 1.478 40.032 38.460 0.156 0.000 1.148 422 Y HN 0.580 nan 8.280 nan 0.000 0.463 423 I N -0.946 119.786 120.570 0.270 0.000 2.562 423 I HA 0.870 5.040 4.170 0.000 0.000 0.301 423 I C 0.983 177.181 176.117 0.134 0.000 1.003 423 I CA -0.948 60.480 61.300 0.215 0.000 1.127 423 I CB 1.922 40.056 38.000 0.224 0.000 1.304 423 I HN 0.750 nan 8.210 nan 0.000 0.446 424 G N 2.666 111.543 108.800 0.128 0.000 2.168 424 G HA2 -0.213 3.747 3.960 0.000 0.000 0.263 424 G HA3 -0.213 3.747 3.960 0.000 0.000 0.263 424 G C 0.144 174.958 174.900 -0.143 0.000 0.977 424 G CA 0.064 45.223 45.100 0.098 0.000 0.659 424 G HN 0.622 nan 8.290 nan 0.000 0.533 425 K N 1.053 121.320 120.400 -0.222 0.000 2.118 425 K HA 0.570 4.890 4.320 0.000 0.000 0.254 425 K C 0.172 176.509 176.600 -0.439 0.000 0.961 425 K CA -0.144 55.941 56.287 -0.337 0.000 0.876 425 K CB 1.686 33.965 32.500 -0.369 0.000 1.077 425 K HN 0.475 nan 8.250 nan 0.000 0.440 426 D N -0.606 119.664 120.400 -0.218 0.000 2.592 426 D HA 0.207 4.847 4.640 0.000 0.000 0.259 426 D C 1.052 177.221 176.300 -0.218 0.000 1.144 426 D CA -0.735 53.080 54.000 -0.308 0.000 1.080 426 D CB 0.394 41.050 40.800 -0.240 0.000 1.225 426 D HN 0.256 nan 8.370 nan 0.000 0.619 427 L N -0.836 120.249 121.223 -0.229 0.000 2.465 427 L HA 0.033 4.373 4.340 0.000 0.000 0.224 427 L C 1.547 178.320 176.870 -0.162 0.000 1.145 427 L CA 0.319 54.982 54.840 -0.295 0.000 0.834 427 L CB -0.262 41.605 42.059 -0.320 0.000 0.944 427 L HN 0.478 nan 8.230 nan 0.000 0.451 428 W N 0.269 121.393 121.300 -0.293 0.000 2.640 428 W HA -0.066 4.594 4.660 -0.000 0.000 0.268 428 W C 2.056 178.399 176.519 -0.294 0.000 1.263 428 W CA 0.772 57.959 57.345 -0.263 0.000 1.344 428 W CB 0.020 29.304 29.460 -0.293 0.000 1.093 428 W HN 0.274 nan 8.180 nan 0.000 0.603 429 H N 0.043 118.928 119.070 -0.307 0.000 2.363 429 H HA -0.179 4.377 4.556 -0.000 0.000 0.301 429 H C 2.107 177.217 175.328 -0.363 0.000 1.074 429 H CA 1.948 57.682 56.048 -0.524 0.000 1.354 429 H CB -0.268 28.999 29.762 -0.824 0.000 1.397 429 H HN 0.024 nan 8.280 nan 0.000 0.516 430 L N 0.857 121.938 121.223 -0.235 0.000 2.201 430 L HA -0.075 4.265 4.340 0.000 0.000 0.212 430 L C 2.328 179.014 176.870 -0.306 0.000 1.105 430 L CA 1.258 55.934 54.840 -0.272 0.000 0.775 430 L CB -0.358 41.525 42.059 -0.292 0.000 0.913 430 L HN 0.078 nan 8.230 nan 0.000 0.440 431 R N -1.098 119.182 120.500 -0.367 0.000 2.091 431 R HA -0.154 4.186 4.340 0.000 0.000 0.238 431 R C 2.235 178.317 176.300 -0.363 0.000 1.136 431 R CA 1.709 57.547 56.100 -0.437 0.000 0.959 431 R CB -0.217 29.710 30.300 -0.623 0.000 0.856 431 R HN 0.421 nan 8.270 nan 0.000 0.437 432 S N 0.914 116.449 115.700 -0.274 0.000 2.356 432 S HA -0.095 4.375 4.470 0.000 0.000 0.223 432 S C 1.904 176.454 174.600 -0.083 0.000 1.032 432 S CA 1.069 59.219 58.200 -0.083 0.000 1.005 432 S CB -0.165 63.029 63.200 -0.009 0.000 0.867 432 S HN 0.273 nan 8.310 nan 0.000 0.449 433 L N 1.488 122.592 121.223 -0.198 0.000 2.079 433 L HA -0.098 4.242 4.340 0.000 0.000 0.210 433 L C 2.231 178.923 176.870 -0.296 0.000 1.081 433 L CA 1.072 55.683 54.840 -0.382 0.000 0.752 433 L CB -0.679 40.926 42.059 -0.755 0.000 0.896 433 L HN 0.342 nan 8.230 nan 0.000 0.433 434 V N -5.776 113.997 119.914 -0.234 0.000 3.623 434 V HA -0.033 4.087 4.120 0.000 0.000 0.271 434 V C 1.784 177.797 176.094 -0.136 0.000 1.248 434 V CA 0.723 62.955 62.300 -0.114 0.000 1.156 434 V CB -0.658 31.073 31.823 -0.154 0.000 0.870 434 V HN 0.232 nan 8.190 nan 0.000 0.453 435 F N 1.920 121.806 119.950 -0.107 0.000 2.383 435 F HA 0.017 4.544 4.527 0.000 0.000 0.287 435 F C 2.746 178.471 175.800 -0.125 0.000 1.069 435 F CA 1.152 59.066 58.000 -0.143 0.000 1.402 435 F CB 0.204 39.057 39.000 -0.246 0.000 1.116 435 F HN 0.297 nan 8.300 nan 0.000 0.549 436 T N -3.602 111.009 114.554 0.095 0.000 3.035 436 T HA -0.060 4.290 4.350 0.000 0.000 0.259 436 T C 0.457 175.192 174.700 0.058 0.000 1.078 436 T CA 0.856 62.974 62.100 0.030 0.000 1.132 436 T CB -0.008 68.850 68.868 -0.015 0.000 0.900 436 T HN -0.014 nan 8.240 nan 0.000 0.480 437 D N 0.919 121.383 120.400 0.107 0.000 2.656 437 D HA 0.210 4.850 4.640 0.000 0.000 0.303 437 D C -0.690 175.744 176.300 0.222 0.000 1.199 437 D CA -0.521 53.579 54.000 0.167 0.000 0.797 437 D CB 0.362 41.310 40.800 0.248 0.000 1.170 437 D HN 0.249 nan 8.370 nan 0.000 0.509 438 K N 2.599 123.081 120.400 0.137 0.000 2.453 438 K HA 0.105 4.425 4.320 0.000 0.000 0.280 438 K C -2.172 174.460 176.600 0.054 0.000 1.045 438 K CA -0.603 55.748 56.287 0.106 0.000 1.059 438 K CB 0.587 33.155 32.500 0.113 0.000 0.901 438 K HN 0.260 nan 8.250 nan 0.000 0.475 439 P HA 0.218 nan 4.420 nan 0.000 0.289 439 P C -0.485 176.734 177.300 -0.134 0.000 1.300 439 P CA -0.485 62.586 63.100 -0.049 0.000 0.828 439 P CB 0.993 32.696 31.700 0.004 0.000 1.235 440 D N -1.034 119.216 120.400 -0.250 0.000 2.162 440 D HA 0.092 4.732 4.640 0.000 0.000 0.205 440 D C 0.319 176.201 176.300 -0.697 0.000 0.964 440 D CA 1.610 55.347 54.000 -0.439 0.000 0.847 440 D CB -0.005 40.575 40.800 -0.367 0.000 0.988 440 D HN 0.286 nan 8.370 nan 0.000 0.480 441 F N -0.913 118.914 119.950 -0.206 0.000 2.664 441 F HA 0.460 4.987 4.527 0.000 0.000 0.317 441 F C -0.148 175.778 175.800 0.211 0.000 1.108 441 F CA -0.984 57.037 58.000 0.035 0.000 0.957 441 F CB 1.448 40.555 39.000 0.178 0.000 1.365 441 F HN -0.427 nan 8.300 nan 0.000 0.475 442 M N 2.191 122.077 119.600 0.477 0.000 2.456 442 M HA 0.578 5.058 4.480 0.000 0.000 0.324 442 M C -1.360 175.112 176.300 0.286 0.000 1.124 442 M CA -0.449 55.105 55.300 0.423 0.000 0.959 442 M CB 2.366 35.236 32.600 0.451 0.000 1.692 442 M HN 0.363 nan 8.290 nan 0.000 0.444 443 I N 2.234 122.876 120.570 0.120 0.000 2.420 443 I HA 0.700 4.870 4.170 0.000 0.000 0.282 443 I C 0.184 176.013 176.117 -0.479 0.000 1.019 443 I CA -0.286 60.956 61.300 -0.096 0.000 1.130 443 I CB 1.349 39.286 38.000 -0.105 0.000 1.262 443 I HN 0.861 nan 8.210 nan 0.000 0.454 444 G N 4.431 112.814 108.800 -0.696 0.000 2.650 444 G HA2 0.308 4.268 3.960 0.000 0.000 0.310 444 G HA3 0.308 4.268 3.960 0.000 0.000 0.310 444 G C -1.329 173.220 174.900 -0.585 0.000 1.270 444 G CA -0.610 43.676 45.100 -1.356 0.000 0.810 444 G HN 0.525 nan 8.290 nan 0.000 0.493 445 N N -0.959 117.524 118.700 -0.361 0.000 2.514 445 N HA 0.306 5.046 4.740 0.000 0.000 0.299 445 N C 1.244 176.734 175.510 -0.033 0.000 1.292 445 N CA 0.291 53.265 53.050 -0.126 0.000 0.963 445 N CB 0.239 38.661 38.487 -0.109 0.000 1.124 445 N HN 0.231 nan 8.380 nan 0.000 0.580 446 S N -1.581 113.968 115.700 -0.252 0.000 2.442 446 S HA -0.091 4.379 4.470 0.000 0.000 0.236 446 S C 1.347 175.843 174.600 -0.174 0.000 1.007 446 S CA 0.763 58.798 58.200 -0.276 0.000 0.965 446 S CB -0.807 62.132 63.200 -0.435 0.000 0.773 446 S HN 0.501 nan 8.310 nan 0.000 0.504 447 Y N 1.082 121.480 120.300 0.163 0.000 2.421 447 Y HA 0.012 4.562 4.550 -0.000 0.000 0.292 447 Y C 2.491 178.569 175.900 0.297 0.000 1.136 447 Y CA 0.360 58.635 58.100 0.290 0.000 1.255 447 Y CB -0.417 38.214 38.460 0.285 0.000 0.991 447 Y HN 0.356 nan 8.280 nan 0.000 0.552 448 G N 0.691 109.789 108.800 0.497 0.000 2.848 448 G HA2 -0.154 3.806 3.960 0.000 0.000 0.208 448 G HA3 -0.154 3.806 3.960 0.000 0.000 0.208 448 G C 1.517 176.543 174.900 0.210 0.000 1.152 448 G CA 0.312 45.694 45.100 0.469 0.000 0.789 448 G HN 0.499 nan 8.290 nan 0.000 0.531 449 K N -0.456 119.932 120.400 -0.020 0.000 2.288 449 K HA 0.115 4.435 4.320 0.000 0.000 0.201 449 K C 1.616 178.114 176.600 -0.169 0.000 1.048 449 K CA 0.532 56.713 56.287 -0.176 0.000 0.956 449 K CB -0.329 31.942 32.500 -0.382 0.000 0.746 449 K HN 0.325 nan 8.250 nan 0.000 0.461 450 F N 1.455 121.490 119.950 0.141 0.000 2.293 450 F HA 0.122 4.649 4.527 -0.000 0.000 0.297 450 F C 2.092 177.959 175.800 0.112 0.000 1.089 450 F CA 0.288 58.366 58.000 0.130 0.000 1.377 450 F CB -0.086 39.008 39.000 0.156 0.000 1.051 450 F HN -0.133 nan 8.300 nan 0.000 0.511 451 I N -0.049 120.663 120.570 0.236 0.000 2.286 451 I HA -0.273 3.897 4.170 0.000 0.000 0.245 451 I C 2.561 178.707 176.117 0.048 0.000 1.104 451 I CA 1.233 62.582 61.300 0.082 0.000 1.397 451 I CB -0.479 37.520 38.000 -0.002 0.000 1.072 451 I HN 0.197 nan 8.210 nan 0.000 0.417 452 Q N 1.151 121.000 119.800 0.081 0.000 2.124 452 Q HA -0.256 4.084 4.340 0.000 0.000 0.202 452 Q C 2.459 178.515 176.000 0.093 0.000 0.977 452 Q CA 1.438 57.280 55.803 0.065 0.000 0.850 452 Q CB -0.077 28.700 28.738 0.065 0.000 0.901 452 Q HN 0.293 nan 8.270 nan 0.000 0.429 453 R N 0.395 120.969 120.500 0.122 0.000 2.081 453 R HA -0.160 4.180 4.340 0.000 0.000 0.235 453 R C 1.119 177.545 176.300 0.210 0.000 1.131 453 R CA 1.953 58.141 56.100 0.147 0.000 0.960 453 R CB -0.265 30.139 30.300 0.173 0.000 0.856 453 R HN 0.350 nan 8.270 nan 0.000 0.436 454 D N -0.139 120.422 120.400 0.268 0.000 2.117 454 D HA -0.119 4.521 4.640 0.000 0.000 0.198 454 D C 1.900 178.575 176.300 0.625 0.000 0.982 454 D CA 2.192 56.475 54.000 0.471 0.000 0.828 454 D CB -0.469 40.606 40.800 0.458 0.000 0.967 454 D HN 0.471 nan 8.370 nan 0.000 0.464 455 T N -0.663 114.065 114.554 0.290 0.000 2.867 455 T HA -0.083 4.267 4.350 0.000 0.000 0.268 455 T C 1.906 176.822 174.700 0.361 0.000 1.057 455 T CA 0.385 62.652 62.100 0.278 0.000 1.136 455 T CB -0.295 68.540 68.868 -0.055 0.000 0.874 455 T HN 0.079 nan 8.240 nan 0.000 0.466 456 L N 0.529 121.906 121.223 0.257 0.000 2.240 456 L HA -0.008 4.332 4.340 0.000 0.000 0.211 456 L C 2.385 179.390 176.870 0.225 0.000 1.106 456 L CA 1.778 56.738 54.840 0.201 0.000 0.793 456 L CB -1.019 41.118 42.059 0.129 0.000 0.927 456 L HN 0.507 nan 8.230 nan 0.000 0.446 457 H N 0.275 119.426 119.070 0.134 0.000 2.457 457 H HA -0.190 4.366 4.556 0.000 0.000 0.294 457 H C 2.063 177.419 175.328 0.047 0.000 1.064 457 H CA 1.296 57.324 56.048 -0.033 0.000 1.330 457 H CB 0.459 30.023 29.762 -0.331 0.000 1.395 457 H HN 0.318 nan 8.280 nan 0.000 0.541 458 K N 0.111 120.686 120.400 0.290 0.000 2.217 458 K HA 0.036 4.356 4.320 0.000 0.000 0.202 458 K C 0.153 176.975 176.600 0.370 0.000 1.051 458 K CA 0.839 57.319 56.287 0.322 0.000 0.952 458 K CB 0.333 33.052 32.500 0.366 0.000 0.736 458 K HN 0.423 nan 8.250 nan 0.000 0.453 459 G N -0.304 108.716 108.800 0.368 0.000 2.352 459 G HA2 -0.027 3.933 3.960 0.000 0.000 0.305 459 G HA3 -0.027 3.933 3.960 0.000 0.000 0.305 459 G C -0.566 174.395 174.900 0.101 0.000 1.537 459 G CA -0.743 44.499 45.100 0.236 0.000 0.959 459 G HN -0.192 nan 8.290 nan 0.000 0.668 460 K N -0.025 120.364 120.400 -0.018 0.000 2.103 460 K HA -0.088 4.232 4.320 0.000 0.000 0.207 460 K C 2.306 178.829 176.600 -0.128 0.000 1.048 460 K CA 2.165 58.421 56.287 -0.051 0.000 0.930 460 K CB -0.107 32.357 32.500 -0.061 0.000 0.716 460 K HN 0.663 nan 8.250 nan 0.000 0.444 461 E N -0.786 119.234 120.200 -0.300 0.000 2.204 461 E HA -0.104 4.246 4.350 0.000 0.000 0.194 461 E C 1.598 177.972 176.600 -0.377 0.000 0.989 461 E CA 1.039 57.185 56.400 -0.424 0.000 0.824 461 E CB -0.305 28.984 29.700 -0.685 0.000 0.756 461 E HN 0.327 nan 8.360 nan 0.000 0.477 462 F N 0.979 120.948 119.950 0.031 0.000 2.776 462 F HA 0.132 4.659 4.527 -0.000 0.000 0.300 462 F C 1.037 176.858 175.800 0.035 0.000 1.116 462 F CA -0.332 57.703 58.000 0.059 0.000 1.375 462 F CB 0.173 39.257 39.000 0.140 0.000 1.109 462 F HN -0.088 nan 8.300 nan 0.000 0.585 463 E N 1.895 122.169 120.200 0.123 0.000 2.376 463 E HA 0.161 4.511 4.350 0.000 0.000 0.266 463 E C -0.896 175.690 176.600 -0.023 0.000 1.009 463 E CA -0.130 56.307 56.400 0.062 0.000 0.902 463 E CB 0.904 30.623 29.700 0.033 0.000 0.972 463 E HN -0.101 nan 8.360 nan 0.000 0.439 464 V N 7.636 127.533 119.914 -0.029 0.000 2.326 464 V HA 0.277 4.397 4.120 0.000 0.000 0.281 464 V C -2.261 173.829 176.094 -0.007 0.000 1.015 464 V CA -1.898 60.360 62.300 -0.070 0.000 0.823 464 V CB 1.226 33.022 31.823 -0.045 0.000 1.009 464 V HN 0.723 nan 8.190 nan 0.000 0.436 465 P HA 0.219 nan 4.420 nan 0.000 0.275 465 P C -0.638 176.822 177.300 0.266 0.000 1.227 465 P CA -0.384 62.798 63.100 0.136 0.000 0.781 465 P CB 0.794 32.613 31.700 0.198 0.000 0.906 466 L N 4.681 126.025 121.223 0.202 0.000 2.292 466 L HA 0.390 4.730 4.340 0.000 0.000 0.284 466 L C -0.722 176.235 176.870 0.145 0.000 1.065 466 L CA 0.014 54.965 54.840 0.184 0.000 0.806 466 L CB 0.022 42.159 42.059 0.131 0.000 1.175 466 L HN 0.265 nan 8.230 nan 0.000 0.431 467 I N 5.600 126.240 120.570 0.117 0.000 2.354 467 I HA 0.341 4.511 4.170 0.000 0.000 0.286 467 I C 0.159 176.270 176.117 -0.010 0.000 1.007 467 I CA -0.631 60.693 61.300 0.039 0.000 1.167 467 I CB 0.942 38.946 38.000 0.006 0.000 1.320 467 I HN 0.537 nan 8.210 nan 0.000 0.458 468 R N 7.008 127.501 120.500 -0.012 0.000 2.459 468 R HA 0.387 4.727 4.340 0.000 0.000 0.301 468 R C -0.861 175.444 176.300 0.009 0.000 1.286 468 R CA 0.431 56.513 56.100 -0.029 0.000 1.046 468 R CB -0.186 30.097 30.300 -0.028 0.000 1.071 468 R HN 0.526 nan 8.270 nan 0.000 0.512 469 I N 2.062 122.637 120.570 0.009 0.000 2.512 469 I HA 0.567 4.737 4.170 0.000 0.000 0.287 469 I C 0.584 176.765 176.117 0.108 0.000 1.069 469 I CA -0.589 60.803 61.300 0.153 0.000 1.056 469 I CB 2.065 40.185 38.000 0.199 0.000 1.229 469 I HN 0.744 nan 8.210 nan 0.000 0.429 470 G N 5.290 114.099 108.800 0.015 0.000 2.260 470 G HA2 0.132 4.092 3.960 0.000 0.000 0.250 470 G HA3 0.132 4.092 3.960 0.000 0.000 0.250 470 G C -2.076 172.661 174.900 -0.271 0.000 1.340 470 G CA -0.691 44.181 45.100 -0.380 0.000 1.056 470 G HN 0.497 nan 8.290 nan 0.000 0.471 471 F N 2.426 122.128 119.950 -0.413 0.000 2.574 471 F HA 0.764 5.291 4.527 0.000 0.000 0.313 471 F C -2.471 173.128 175.800 -0.335 0.000 1.130 471 F CA -1.785 55.932 58.000 -0.470 0.000 0.936 471 F CB 2.818 41.552 39.000 -0.443 0.000 1.219 471 F HN 0.478 nan 8.300 nan 0.000 0.445 472 P HA 0.476 nan 4.420 nan 0.000 0.290 472 P C -1.140 175.548 177.300 -1.020 0.000 1.283 472 P CA -0.449 61.680 63.100 -1.619 0.000 0.869 472 P CB 2.644 32.794 31.700 -2.582 0.000 1.100 473 I N 3.312 123.566 120.570 -0.526 0.000 2.359 473 I HA 0.255 4.425 4.170 0.000 0.000 0.284 473 I C 0.501 176.438 176.117 -0.300 0.000 1.018 473 I CA -0.364 60.712 61.300 -0.375 0.000 1.173 473 I CB 0.651 38.538 38.000 -0.188 0.000 1.326 473 I HN 0.351 nan 8.210 nan 0.000 0.462 474 F N 2.576 122.376 119.950 -0.251 0.000 2.694 474 F HA 0.001 4.528 4.527 -0.000 0.000 0.292 474 F C 1.689 177.396 175.800 -0.155 0.000 1.121 474 F CA -0.347 57.516 58.000 -0.229 0.000 1.352 474 F CB 0.509 39.359 39.000 -0.251 0.000 1.107 474 F HN 0.479 nan 8.300 nan 0.000 0.597 475 D N -0.428 120.001 120.400 0.048 0.000 2.342 475 D HA 0.075 4.715 4.640 0.000 0.000 0.221 475 D C 0.485 176.813 176.300 0.047 0.000 1.101 475 D CA 0.233 54.252 54.000 0.032 0.000 0.837 475 D CB 0.111 40.898 40.800 -0.021 0.000 0.938 475 D HN -0.025 nan 8.370 nan 0.000 0.508 476 R N -0.228 120.304 120.500 0.053 0.000 2.808 476 R HA 0.419 4.759 4.340 0.000 0.000 0.272 476 R C -0.629 175.749 176.300 0.130 0.000 0.995 476 R CA -0.600 55.550 56.100 0.083 0.000 0.917 476 R CB 1.271 31.585 30.300 0.024 0.000 1.217 476 R HN 0.233 nan 8.270 nan 0.000 0.471 477 H N 1.448 120.448 119.070 -0.118 0.000 2.472 477 H HA 0.247 4.803 4.556 0.000 0.000 0.338 477 H C -0.132 175.086 175.328 -0.184 0.000 1.133 477 H CA -0.567 55.313 56.048 -0.280 0.000 1.216 477 H CB 1.217 30.738 29.762 -0.401 0.000 1.497 477 H HN 0.610 nan 8.280 nan 0.000 0.500 478 H N 1.341 120.522 119.070 0.185 0.000 2.861 478 H HA -0.159 4.397 4.556 0.000 0.000 0.289 478 H C 0.955 176.259 175.328 -0.041 0.000 1.176 478 H CA 0.187 56.286 56.048 0.085 0.000 1.146 478 H CB -1.189 28.610 29.762 0.062 0.000 1.330 478 H HN 0.456 nan 8.280 nan 0.000 0.379 479 L N 1.317 122.592 121.223 0.088 0.000 2.313 479 L HA -0.051 4.289 4.340 0.000 0.000 0.214 479 L C 2.770 179.718 176.870 0.131 0.000 1.119 479 L CA 1.790 56.684 54.840 0.090 0.000 0.809 479 L CB -0.605 41.501 42.059 0.078 0.000 0.933 479 L HN 0.588 nan 8.230 nan 0.000 0.449 480 H N -1.444 117.604 119.070 -0.036 0.000 2.561 480 H HA -0.021 4.535 4.556 -0.000 0.000 0.278 480 H C 1.447 176.912 175.328 0.228 0.000 1.014 480 H CA 0.593 56.603 56.048 -0.064 0.000 1.211 480 H CB -0.191 29.373 29.762 -0.330 0.000 1.365 480 H HN 0.313 nan 8.280 nan 0.000 0.594 481 R N 0.708 121.063 120.500 -0.242 0.000 2.317 481 R HA 0.167 4.507 4.340 0.000 0.000 0.208 481 R C 0.373 176.690 176.300 0.028 0.000 0.914 481 R CA -0.100 55.926 56.100 -0.124 0.000 1.060 481 R CB 0.560 30.738 30.300 -0.203 0.000 1.015 481 R HN 0.100 nan 8.270 nan 0.000 0.498 482 S N 0.002 115.767 115.700 0.109 0.000 2.634 482 S HA 0.220 4.690 4.470 0.000 0.000 0.261 482 S C 0.233 174.734 174.600 -0.165 0.000 1.271 482 S CA -0.097 58.077 58.200 -0.044 0.000 0.985 482 S CB 1.513 64.641 63.200 -0.120 0.000 0.968 482 S HN 0.004 nan 8.310 nan 0.000 0.568 483 T N 0.973 115.369 114.554 -0.264 0.000 2.841 483 T HA 0.457 4.808 4.350 0.000 0.000 0.283 483 T C 0.453 174.930 174.700 -0.372 0.000 1.000 483 T CA -0.566 61.372 62.100 -0.271 0.000 0.977 483 T CB 1.730 70.502 68.868 -0.160 0.000 0.979 483 T HN 0.533 nan 8.240 nan 0.000 0.446 484 T N 1.888 116.221 114.554 -0.367 0.000 2.964 484 T HA 0.258 4.609 4.350 0.000 0.000 0.249 484 T C 0.360 174.917 174.700 -0.238 0.000 1.000 484 T CA -0.028 61.890 62.100 -0.302 0.000 0.992 484 T CB 0.156 68.885 68.868 -0.231 0.000 1.087 484 T HN 0.133 nan 8.240 nan 0.000 0.489 485 L N 1.402 122.488 121.223 -0.228 0.000 2.421 485 L HA 0.654 4.994 4.340 0.000 0.000 0.263 485 L C 1.223 177.933 176.870 -0.267 0.000 1.122 485 L CA 0.699 55.391 54.840 -0.245 0.000 0.804 485 L CB 0.123 42.026 42.059 -0.260 0.000 1.150 485 L HN 0.440 nan 8.230 nan 0.000 0.457 486 G N 1.374 109.986 108.800 -0.313 0.000 2.698 486 G HA2 -0.334 3.626 3.960 0.000 0.000 0.233 486 G HA3 -0.334 3.626 3.960 0.000 0.000 0.233 486 G C 0.564 175.281 174.900 -0.305 0.000 1.352 486 G CA 0.504 45.389 45.100 -0.359 0.000 0.879 486 G HN 0.618 nan 8.290 nan 0.000 0.567 487 Y N -0.104 120.135 120.300 -0.101 0.000 2.263 487 Y HA 0.040 4.590 4.550 -0.000 0.000 0.292 487 Y C 2.889 178.721 175.900 -0.114 0.000 1.130 487 Y CA 1.546 59.587 58.100 -0.098 0.000 1.179 487 Y CB -0.083 38.352 38.460 -0.041 0.000 0.998 487 Y HN 0.753 nan 8.280 nan 0.000 0.532 488 E N 0.561 120.787 120.200 0.043 0.000 2.058 488 E HA -0.193 4.157 4.350 0.000 0.000 0.194 488 E C 2.473 179.020 176.600 -0.088 0.000 0.997 488 E CA 1.324 57.715 56.400 -0.014 0.000 0.801 488 E CB -0.459 29.225 29.700 -0.027 0.000 0.746 488 E HN 0.490 nan 8.360 nan 0.000 0.450 489 G N 0.347 109.055 108.800 -0.153 0.000 2.408 489 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 489 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 489 G C 1.622 176.358 174.900 -0.272 0.000 1.150 489 G CA 0.775 45.743 45.100 -0.219 0.000 0.776 489 G HN 0.410 nan 8.290 nan 0.000 0.542 490 A N 0.421 123.045 122.820 -0.327 0.000 1.969 490 A HA 0.144 4.464 4.320 0.000 0.000 0.218 490 A C 2.403 179.883 177.584 -0.173 0.000 1.169 490 A CA 1.474 53.188 52.037 -0.539 0.000 0.635 490 A CB -0.276 18.369 19.000 -0.591 0.000 0.810 490 A HN 0.388 nan 8.150 nan 0.000 0.445 491 M N -1.152 118.411 119.600 -0.062 0.000 2.200 491 M HA -0.152 4.328 4.480 0.000 0.000 0.265 491 M C 2.399 178.692 176.300 -0.012 0.000 1.066 491 M CA 1.245 56.551 55.300 0.010 0.000 1.127 491 M CB -0.284 32.322 32.600 0.010 0.000 1.379 491 M HN 0.473 nan 8.290 nan 0.000 0.420 492 Q N 0.346 120.109 119.800 -0.061 0.000 2.079 492 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 492 Q C 2.037 177.999 176.000 -0.065 0.000 0.974 492 Q CA 1.305 57.065 55.803 -0.071 0.000 0.840 492 Q CB -0.103 28.568 28.738 -0.113 0.000 0.898 492 Q HN 0.544 nan 8.270 nan 0.000 0.430 493 I N 0.670 121.191 120.570 -0.081 0.000 2.226 493 I HA -0.290 3.880 4.170 0.000 0.000 0.245 493 I C 2.391 178.535 176.117 0.044 0.000 1.100 493 I CA 0.860 62.134 61.300 -0.045 0.000 1.374 493 I CB -0.198 37.744 38.000 -0.096 0.000 1.057 493 I HN 0.242 nan 8.210 nan 0.000 0.413 494 L N 0.195 121.504 121.223 0.144 0.000 2.046 494 L HA -0.234 4.106 4.340 0.000 0.000 0.208 494 L C 2.563 179.449 176.870 0.027 0.000 1.077 494 L CA 1.718 56.635 54.840 0.128 0.000 0.747 494 L CB -0.350 41.826 42.059 0.194 0.000 0.896 494 L HN 0.241 nan 8.230 nan 0.000 0.432 495 T N -0.998 113.562 114.554 0.011 0.000 2.746 495 T HA -0.173 4.177 4.350 0.000 0.000 0.267 495 T C 1.725 176.399 174.700 -0.044 0.000 1.039 495 T CA 1.905 63.996 62.100 -0.015 0.000 1.142 495 T CB -0.379 68.479 68.868 -0.017 0.000 0.866 495 T HN 0.434 nan 8.240 nan 0.000 0.444 496 T N 2.584 117.107 114.554 -0.051 0.000 2.788 496 T HA 0.029 4.379 4.350 0.000 0.000 0.268 496 T C 1.963 176.595 174.700 -0.113 0.000 1.044 496 T CA 0.887 62.942 62.100 -0.074 0.000 1.139 496 T CB -0.404 68.423 68.868 -0.069 0.000 0.867 496 T HN 0.271 nan 8.240 nan 0.000 0.454 497 L N 0.998 122.154 121.223 -0.112 0.000 2.044 497 L HA -0.048 4.292 4.340 0.000 0.000 0.205 497 L C 2.731 179.522 176.870 -0.130 0.000 1.075 497 L CA 0.935 55.685 54.840 -0.150 0.000 0.747 497 L CB -0.886 41.089 42.059 -0.139 0.000 0.903 497 L HN 0.194 nan 8.230 nan 0.000 0.435 498 V N -1.206 118.666 119.914 -0.071 0.000 2.427 498 V HA -0.171 3.949 4.120 0.000 0.000 0.248 498 V C 1.980 177.993 176.094 -0.136 0.000 1.051 498 V CA 1.596 63.860 62.300 -0.060 0.000 1.048 498 V CB -0.871 30.942 31.823 -0.017 0.000 0.666 498 V HN 0.433 nan 8.190 nan 0.000 0.456 499 N N 0.443 119.068 118.700 -0.125 0.000 2.396 499 N HA -0.043 4.697 4.740 0.000 0.000 0.180 499 N C 2.031 177.461 175.510 -0.133 0.000 1.028 499 N CA 1.388 54.359 53.050 -0.131 0.000 0.893 499 N CB -0.143 38.288 38.487 -0.093 0.000 0.967 499 N HN 0.449 nan 8.380 nan 0.000 0.440 500 S N 0.695 116.288 115.700 -0.178 0.000 2.395 500 S HA 0.148 4.618 4.470 0.000 0.000 0.225 500 S C 1.992 176.492 174.600 -0.166 0.000 1.027 500 S CA 0.262 58.338 58.200 -0.207 0.000 0.965 500 S CB 0.119 63.080 63.200 -0.399 0.000 0.812 500 S HN 0.251 nan 8.310 nan 0.000 0.482 501 I N 1.347 121.784 120.570 -0.220 0.000 2.252 501 I HA -0.153 4.017 4.170 0.000 0.000 0.245 501 I C 1.896 177.994 176.117 -0.031 0.000 1.102 501 I CA 1.131 62.447 61.300 0.026 0.000 1.385 501 I CB -0.280 37.732 38.000 0.019 0.000 1.064 501 I HN 0.236 nan 8.210 nan 0.000 0.414 502 L N 0.259 121.362 121.223 -0.200 0.000 2.156 502 L HA -0.162 4.178 4.340 0.000 0.000 0.208 502 L C 2.564 179.341 176.870 -0.154 0.000 1.095 502 L CA 1.070 55.727 54.840 -0.304 0.000 0.770 502 L CB -0.536 41.285 42.059 -0.397 0.000 0.914 502 L HN 0.327 nan 8.230 nan 0.000 0.439 503 E N 0.793 120.946 120.200 -0.080 0.000 2.047 503 E HA -0.292 4.058 4.350 0.000 0.000 0.191 503 E C 2.308 178.919 176.600 0.019 0.000 0.987 503 E CA 1.145 57.530 56.400 -0.026 0.000 0.799 503 E CB 0.061 29.755 29.700 -0.010 0.000 0.752 503 E HN 0.142 nan 8.360 nan 0.000 0.449 504 R N 0.520 121.068 120.500 0.079 0.000 2.096 504 R HA -0.124 4.216 4.340 0.000 0.000 0.235 504 R C 2.330 178.651 176.300 0.035 0.000 1.127 504 R CA 1.264 57.424 56.100 0.099 0.000 0.968 504 R CB -0.847 29.593 30.300 0.233 0.000 0.861 504 R HN 0.366 nan 8.270 nan 0.000 0.440 505 L N 0.545 121.773 121.223 0.009 0.000 2.027 505 L HA -0.080 4.260 4.340 0.000 0.000 0.206 505 L C 1.253 178.122 176.870 -0.002 0.000 1.074 505 L CA 2.051 56.880 54.840 -0.019 0.000 0.745 505 L CB -0.764 41.242 42.059 -0.089 0.000 0.898 505 L HN 0.151 nan 8.230 nan 0.000 0.433 506 D N -0.533 119.870 120.400 0.005 0.000 2.178 506 D HA -0.220 4.420 4.640 0.000 0.000 0.201 506 D C 2.090 178.445 176.300 0.092 0.000 0.980 506 D CA 1.239 55.308 54.000 0.114 0.000 0.842 506 D CB 0.102 40.944 40.800 0.069 0.000 0.948 506 D HN 0.586 nan 8.370 nan 0.000 0.472 507 E N 0.641 120.857 120.200 0.026 0.000 2.046 507 E HA -0.139 4.211 4.350 0.000 0.000 0.190 507 E C 1.426 177.997 176.600 -0.047 0.000 0.982 507 E CA 0.753 57.147 56.400 -0.009 0.000 0.800 507 E CB 0.105 29.805 29.700 0.000 0.000 0.756 507 E HN 0.274 nan 8.360 nan 0.000 0.449 508 E N -0.442 119.733 120.200 -0.042 0.000 2.418 508 E HA -0.080 4.270 4.350 0.000 0.000 0.197 508 E C 1.211 177.753 176.600 -0.096 0.000 1.026 508 E CA 1.259 57.621 56.400 -0.063 0.000 0.862 508 E CB 0.233 29.901 29.700 -0.053 0.000 0.799 508 E HN 0.345 nan 8.360 nan 0.000 0.518 509 T N -2.703 111.791 114.554 -0.100 0.000 3.084 509 T HA 0.207 4.557 4.350 0.000 0.000 0.270 509 T C 1.330 175.822 174.700 -0.346 0.000 1.008 509 T CA -0.497 61.507 62.100 -0.160 0.000 0.900 509 T CB 0.292 69.135 68.868 -0.041 0.000 1.084 509 T HN -0.086 nan 8.240 nan 0.000 0.538 510 R N 1.178 121.450 120.500 -0.381 0.000 2.313 510 R HA 0.257 4.597 4.340 0.000 0.000 0.199 510 R C 1.088 177.197 176.300 -0.319 0.000 0.958 510 R CA -0.019 55.743 56.100 -0.563 0.000 1.047 510 R CB -0.364 29.733 30.300 -0.338 0.000 0.955 510 R HN 0.466 nan 8.270 nan 0.000 0.481 511 G N 1.340 110.012 108.800 -0.213 0.000 2.356 511 G HA2 0.112 4.072 3.960 0.000 0.000 0.273 511 G HA3 0.112 4.072 3.960 0.000 0.000 0.273 511 G C -0.357 174.484 174.900 -0.098 0.000 1.213 511 G CA -0.474 44.551 45.100 -0.125 0.000 0.955 511 G HN 0.159 nan 8.290 nan 0.000 0.454 512 M N 2.585 122.144 119.600 -0.069 0.000 2.356 512 M HA 0.116 4.596 4.480 0.000 0.000 0.348 512 M C 1.213 177.511 176.300 -0.003 0.000 1.595 512 M CA 0.763 56.043 55.300 -0.034 0.000 1.095 512 M CB 0.078 32.664 32.600 -0.023 0.000 1.963 512 M HN 0.873 nan 8.290 nan 0.000 0.459 513 Q N 1.745 121.557 119.800 0.021 0.000 2.305 513 Q HA -0.323 4.017 4.340 0.000 0.000 0.203 513 Q C 0.194 176.237 176.000 0.071 0.000 0.663 513 Q CA 1.280 57.112 55.803 0.050 0.000 1.389 513 Q CB -1.399 27.358 28.738 0.033 0.000 1.566 513 Q HN 0.954 nan 8.270 nan 0.000 0.755 514 A N -0.960 121.890 122.820 0.051 0.000 1.919 514 A HA 0.094 4.414 4.320 0.000 0.000 0.211 514 A C 1.653 179.302 177.584 0.108 0.000 1.310 514 A CA 1.455 53.530 52.037 0.064 0.000 0.651 514 A CB -0.027 18.981 19.000 0.015 0.000 0.996 514 A HN 0.683 nan 8.150 nan 0.000 0.479 515 T N -2.456 112.086 114.554 -0.020 0.000 3.058 515 T HA 0.063 4.413 4.350 0.000 0.000 0.278 515 T C 0.658 175.113 174.700 -0.409 0.000 0.974 515 T CA 0.688 62.659 62.100 -0.216 0.000 0.893 515 T CB 0.027 68.782 68.868 -0.189 0.000 1.138 515 T HN 0.428 nan 8.240 nan 0.000 0.529 516 D N 1.718 122.006 120.400 -0.186 0.000 2.371 516 D HA -0.102 4.538 4.640 0.000 0.000 0.234 516 D C 1.411 177.689 176.300 -0.036 0.000 1.049 516 D CA -0.057 53.860 54.000 -0.139 0.000 0.907 516 D CB -0.689 40.051 40.800 -0.099 0.000 0.891 516 D HN 0.694 nan 8.370 nan 0.000 0.531 517 Y N -0.189 120.137 120.300 0.044 0.000 2.439 517 Y HA 0.071 4.621 4.550 0.000 0.000 0.292 517 Y C 1.405 177.345 175.900 0.066 0.000 1.130 517 Y CA 0.772 58.900 58.100 0.047 0.000 1.254 517 Y CB -0.976 37.503 38.460 0.031 0.000 1.000 517 Y HN -0.046 nan 8.280 nan 0.000 0.554 518 N N -0.041 118.492 118.700 -0.277 0.000 2.279 518 N HA -0.056 4.684 4.740 0.000 0.000 0.226 518 N C -0.487 175.022 175.510 -0.002 0.000 1.126 518 N CA -0.107 52.882 53.050 -0.101 0.000 0.846 518 N CB -0.576 37.780 38.487 -0.219 0.000 1.050 518 N HN 0.516 nan 8.380 nan 0.000 0.502 519 H N 0.528 119.540 119.070 -0.097 0.000 2.588 519 H HA 0.118 4.674 4.556 0.000 0.000 0.223 519 H C -0.819 174.492 175.328 -0.028 0.000 1.804 519 H CA -0.695 55.312 56.048 -0.069 0.000 1.269 519 H CB -0.073 29.649 29.762 -0.066 0.000 1.670 519 H HN 0.263 nan 8.280 nan 0.000 0.539 520 D N 2.286 122.647 120.400 -0.065 0.000 2.414 520 D HA -0.094 4.546 4.640 0.000 0.000 0.242 520 D C 1.389 177.612 176.300 -0.129 0.000 1.129 520 D CA -0.228 53.736 54.000 -0.059 0.000 0.885 520 D CB 1.782 42.587 40.800 0.008 0.000 1.198 520 D HN 0.412 nan 8.370 nan 0.000 0.437 521 L N 3.660 124.835 121.223 -0.080 0.000 1.988 521 L HA -0.070 4.270 4.340 0.000 0.000 0.207 521 L C 0.619 177.451 176.870 -0.063 0.000 1.071 521 L CA 1.363 56.154 54.840 -0.083 0.000 0.744 521 L CB -0.114 41.919 42.059 -0.043 0.000 0.893 521 L HN 0.372 nan 8.230 nan 0.000 0.433 522 V N -0.355 119.545 119.914 -0.022 0.000 2.439 522 V HA 0.549 4.669 4.120 0.000 0.000 0.282 522 V C -0.113 176.004 176.094 0.039 0.000 1.039 522 V CA -0.661 61.640 62.300 0.002 0.000 0.913 522 V CB 1.032 32.867 31.823 0.020 0.000 0.983 522 V HN 0.390 nan 8.190 nan 0.000 0.460 523 R N 0.000 120.525 120.500 0.042 0.000 2.786 523 R HA 0.000 4.340 4.340 0.000 0.000 0.208 523 R CA 0.000 56.179 56.100 0.131 0.000 0.921 523 R CB 0.000 30.213 30.300 -0.144 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535