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 2afk_1_D 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 0.000 174.621 174.600 0.035 0.000 1.055 2 S CA 0.000 58.231 58.200 0.051 0.000 1.107 2 S CB 0.000 63.212 63.200 0.020 0.000 0.593 3 Q N 1.380 121.188 119.800 0.013 0.000 2.305 3 Q HA 0.472 4.828 4.340 0.028 0.000 0.271 3 Q C -1.479 174.516 176.000 -0.009 0.000 1.046 3 Q CA -0.765 55.034 55.803 -0.006 0.000 0.798 3 Q CB 2.227 30.959 28.738 -0.010 0.000 1.286 3 Q HN 0.507 nan 8.270 nan 0.000 0.435 4 Q N 1.386 121.176 119.800 -0.016 0.000 2.296 4 Q HA 0.164 4.521 4.340 0.028 0.000 0.257 4 Q C 0.818 176.809 176.000 -0.015 0.000 0.942 4 Q CA -0.052 55.743 55.803 -0.014 0.000 0.939 4 Q CB 1.733 30.461 28.738 -0.017 0.000 1.198 4 Q HN 0.546 nan 8.270 nan 0.000 0.429 5 V N 3.362 123.270 119.914 -0.010 0.000 2.568 5 V HA -0.249 3.887 4.120 0.028 0.000 0.253 5 V C 1.259 177.347 176.094 -0.010 0.000 1.072 5 V CA 2.587 64.881 62.300 -0.009 0.000 1.084 5 V CB -0.134 31.686 31.823 -0.005 0.000 0.676 5 V HN 0.929 nan 8.190 nan 0.000 0.469 6 D N -0.606 119.787 120.400 -0.011 0.000 2.277 6 D HA -0.110 4.547 4.640 0.028 0.000 0.208 6 D C 1.165 177.457 176.300 -0.014 0.000 0.962 6 D CA 0.524 54.518 54.000 -0.010 0.000 0.865 6 D CB 0.108 40.903 40.800 -0.009 0.000 0.939 6 D HN 0.420 nan 8.370 nan 0.000 0.510 7 K N 0.851 121.240 120.400 -0.020 0.000 2.814 7 K HA 0.320 4.657 4.320 0.028 0.000 0.205 7 K C -1.100 175.478 176.600 -0.037 0.000 1.093 7 K CA -0.390 55.881 56.287 -0.026 0.000 1.035 7 K CB 0.135 32.618 32.500 -0.028 0.000 1.220 7 K HN -0.054 nan 8.250 nan 0.000 0.576 8 I N 3.098 123.646 120.570 -0.036 0.000 2.648 8 I HA 0.076 4.262 4.170 0.028 0.000 0.284 8 I C 0.251 176.327 176.117 -0.069 0.000 1.153 8 I CA 0.109 61.381 61.300 -0.047 0.000 1.426 8 I CB 0.683 38.662 38.000 -0.036 0.000 1.381 8 I HN 0.294 nan 8.210 nan 0.000 0.571 9 K N 5.517 125.857 120.400 -0.100 0.000 2.244 9 K HA 0.693 5.030 4.320 0.028 0.000 0.260 9 K C -0.362 176.134 176.600 -0.173 0.000 0.951 9 K CA -0.627 55.572 56.287 -0.147 0.000 0.826 9 K CB 1.910 34.294 32.500 -0.193 0.000 1.108 9 K HN 0.669 nan 8.250 nan 0.000 0.433 10 A N 1.258 123.990 122.820 -0.147 0.000 2.250 10 A HA 0.200 4.536 4.320 0.028 0.000 0.283 10 A C 1.556 179.009 177.584 -0.219 0.000 1.206 10 A CA 0.191 52.152 52.037 -0.127 0.000 0.840 10 A CB 0.123 19.101 19.000 -0.035 0.000 1.220 10 A HN 0.882 nan 8.150 nan 0.000 0.505 11 S N -1.147 114.461 115.700 -0.154 0.000 2.408 11 S HA -0.265 4.222 4.470 0.028 0.000 0.241 11 S C 0.590 175.120 174.600 -0.116 0.000 1.080 11 S CA 2.099 60.206 58.200 -0.156 0.000 1.109 11 S CB -0.708 62.618 63.200 0.210 0.000 0.966 11 S HN 1.217 nan 8.310 nan 0.000 0.449 12 Y N 3.925 124.178 120.300 -0.079 0.000 2.335 12 Y HA 0.570 5.132 4.550 0.020 0.000 0.338 12 Y C -2.328 173.525 175.900 -0.077 0.000 0.977 12 Y CA -2.499 55.575 58.100 -0.043 0.000 1.114 12 Y CB 2.083 40.547 38.460 0.006 0.000 1.182 12 Y HN -0.012 nan 8.280 nan 0.000 0.463 13 P HA -0.034 nan 4.420 nan 0.000 0.261 13 P C 1.346 178.390 177.300 -0.426 0.000 1.268 13 P CA 0.232 62.815 63.100 -0.862 0.000 0.833 13 P CB 0.552 31.775 31.700 -0.795 0.000 1.231 14 L N 0.357 121.314 121.223 -0.443 0.000 2.021 14 L HA -0.171 4.186 4.340 0.028 0.000 0.215 14 L C 1.769 178.323 176.870 -0.527 0.000 1.074 14 L CA 2.123 56.653 54.840 -0.517 0.000 0.760 14 L CB -1.574 40.003 42.059 -0.803 0.000 0.889 14 L HN -0.190 nan 8.230 nan 0.000 0.433 15 F N -1.145 118.650 119.950 -0.259 0.000 2.771 15 F HA -0.019 4.523 4.527 0.024 0.000 0.299 15 F C 1.681 177.476 175.800 -0.009 0.000 1.177 15 F CA 0.119 57.976 58.000 -0.238 0.000 1.450 15 F CB -0.576 38.296 39.000 -0.213 0.000 1.114 15 F HN 0.097 nan 8.300 nan 0.000 0.587 16 L N -0.814 120.458 121.223 0.083 0.000 2.592 16 L HA 0.087 4.444 4.340 0.028 0.000 0.227 16 L C 0.515 177.444 176.870 0.098 0.000 1.127 16 L CA 0.254 55.147 54.840 0.088 0.000 0.884 16 L CB -0.955 41.112 42.059 0.015 0.000 1.065 16 L HN -0.154 nan 8.230 nan 0.000 0.457 17 D N -0.860 119.624 120.400 0.139 0.000 2.399 17 D HA -0.042 4.615 4.640 0.028 0.000 0.241 17 D C 1.161 177.556 176.300 0.158 0.000 1.133 17 D CA 0.112 54.200 54.000 0.146 0.000 0.890 17 D CB 1.028 41.956 40.800 0.213 0.000 1.201 17 D HN -0.035 nan 8.370 nan 0.000 0.432 18 Q N 1.570 121.423 119.800 0.089 0.000 2.096 18 Q HA -0.192 4.165 4.340 0.028 0.000 0.204 18 Q C 1.135 177.165 176.000 0.051 0.000 0.982 18 Q CA 2.011 57.852 55.803 0.064 0.000 0.850 18 Q CB -0.112 28.647 28.738 0.035 0.000 0.901 18 Q HN 0.578 nan 8.270 nan 0.000 0.422 19 D N -1.259 119.148 120.400 0.012 0.000 2.144 19 D HA -0.212 4.445 4.640 0.028 0.000 0.199 19 D C 1.475 177.725 176.300 -0.084 0.000 0.984 19 D CA 1.371 55.331 54.000 -0.068 0.000 0.834 19 D CB -0.923 39.787 40.800 -0.151 0.000 0.955 19 D HN 0.384 nan 8.370 nan 0.000 0.465 20 Y N 0.947 121.302 120.300 0.092 0.000 2.200 20 Y HA -0.050 4.515 4.550 0.025 0.000 0.290 20 Y C 2.595 178.554 175.900 0.098 0.000 1.137 20 Y CA 1.351 59.534 58.100 0.138 0.000 1.163 20 Y CB -0.343 38.281 38.460 0.273 0.000 0.988 20 Y HN -0.028 nan 8.280 nan 0.000 0.518 21 K N 0.216 120.760 120.400 0.240 0.000 2.057 21 K HA -0.204 4.133 4.320 0.028 0.000 0.207 21 K C 1.596 178.251 176.600 0.092 0.000 1.049 21 K CA 1.993 58.370 56.287 0.150 0.000 0.931 21 K CB -0.197 32.376 32.500 0.122 0.000 0.714 21 K HN 0.199 nan 8.250 nan 0.000 0.440 22 D N 0.578 121.018 120.400 0.066 0.000 2.117 22 D HA -0.189 4.468 4.640 0.028 0.000 0.198 22 D C 1.868 178.188 176.300 0.034 0.000 0.982 22 D CA 1.244 55.265 54.000 0.036 0.000 0.828 22 D CB -0.062 40.747 40.800 0.015 0.000 0.967 22 D HN 0.354 nan 8.370 nan 0.000 0.464 23 M N 0.301 119.923 119.600 0.037 0.000 2.117 23 M HA -0.168 4.329 4.480 0.028 0.000 0.262 23 M C 2.005 178.342 176.300 0.063 0.000 1.065 23 M CA 1.224 56.549 55.300 0.041 0.000 1.114 23 M CB -0.023 32.595 32.600 0.029 0.000 1.361 23 M HN -0.039 nan 8.290 nan 0.000 0.408 24 L N 0.140 121.409 121.223 0.076 0.000 2.201 24 L HA -0.105 4.252 4.340 0.028 0.000 0.212 24 L C 2.731 179.627 176.870 0.043 0.000 1.105 24 L CA 0.975 55.852 54.840 0.060 0.000 0.775 24 L CB -0.816 41.280 42.059 0.061 0.000 0.913 24 L HN 0.386 nan 8.230 nan 0.000 0.440 25 A N 0.039 122.882 122.820 0.037 0.000 1.898 25 A HA -0.181 4.155 4.320 0.028 0.000 0.216 25 A C 2.339 179.922 177.584 -0.002 0.000 1.181 25 A CA 1.429 53.476 52.037 0.017 0.000 0.620 25 A CB -0.247 18.762 19.000 0.016 0.000 0.819 25 A HN 0.300 nan 8.150 nan 0.000 0.442 26 K N -0.243 120.161 120.400 0.006 0.000 2.057 26 K HA -0.134 4.203 4.320 0.028 0.000 0.206 26 K C 2.201 178.797 176.600 -0.008 0.000 1.050 26 K CA 1.411 57.689 56.287 -0.014 0.000 0.935 26 K CB -0.164 32.348 32.500 0.020 0.000 0.715 26 K HN 0.528 nan 8.250 nan 0.000 0.439 27 K N 1.772 122.219 120.400 0.077 0.000 2.009 27 K HA -0.213 4.124 4.320 0.028 0.000 0.210 27 K C 2.321 178.977 176.600 0.094 0.000 1.049 27 K CA 1.426 57.818 56.287 0.174 0.000 0.929 27 K CB -0.070 32.510 32.500 0.134 0.000 0.714 27 K HN -0.009 nan 8.250 nan 0.000 0.440 28 R N 0.434 120.950 120.500 0.027 0.000 2.070 28 R HA -0.151 4.205 4.340 0.028 0.000 0.233 28 R C 1.616 177.875 176.300 -0.068 0.000 1.137 28 R CA 2.214 58.311 56.100 -0.004 0.000 0.945 28 R CB -0.261 30.038 30.300 -0.002 0.000 0.845 28 R HN 0.304 nan 8.270 nan 0.000 0.430 29 D N -0.623 119.717 120.400 -0.100 0.000 2.117 29 D HA -0.087 4.570 4.640 0.028 0.000 0.198 29 D C 1.790 177.936 176.300 -0.257 0.000 0.982 29 D CA 1.559 55.475 54.000 -0.139 0.000 0.828 29 D CB -0.513 40.216 40.800 -0.118 0.000 0.967 29 D HN 0.524 nan 8.370 nan 0.000 0.464 30 G N -0.262 108.279 108.800 -0.432 0.000 2.402 30 G HA2 -0.180 3.797 3.960 0.028 0.000 0.216 30 G HA3 -0.180 3.797 3.960 0.028 0.000 0.216 30 G C 1.036 175.240 174.900 -1.160 0.000 1.162 30 G CA 0.490 45.028 45.100 -0.937 0.000 0.777 30 G HN 0.237 nan 8.290 nan 0.000 0.539 31 F N -0.291 119.644 119.950 -0.024 0.000 2.789 31 F HA 0.361 4.904 4.527 0.028 0.000 0.320 31 F C 2.231 178.011 175.800 -0.035 0.000 1.079 31 F CA -0.359 57.624 58.000 -0.028 0.000 1.205 31 F CB 0.227 39.214 39.000 -0.023 0.000 1.046 31 F HN 0.065 nan 8.300 nan 0.000 0.586 32 E N 0.973 121.216 120.200 0.072 0.000 2.204 32 E HA -0.139 4.228 4.350 0.028 0.000 0.194 32 E C 0.079 176.661 176.600 -0.030 0.000 0.989 32 E CA 0.860 57.276 56.400 0.027 0.000 0.824 32 E CB -0.222 29.486 29.700 0.014 0.000 0.756 32 E HN 0.381 nan 8.360 nan 0.000 0.477 33 E N 0.985 121.146 120.200 -0.066 0.000 2.297 33 E HA -0.227 4.140 4.350 0.028 0.000 0.228 33 E C -0.166 176.327 176.600 -0.179 0.000 1.213 33 E CA 0.345 56.674 56.400 -0.118 0.000 0.712 33 E CB -1.191 28.447 29.700 -0.105 0.000 1.202 33 E HN 0.139 nan 8.360 nan 0.000 0.376 34 K N 0.715 121.039 120.400 -0.126 0.000 2.237 34 K HA 0.178 4.515 4.320 0.028 0.000 0.270 34 K C -0.337 176.180 176.600 -0.137 0.000 1.015 34 K CA -0.386 55.841 56.287 -0.101 0.000 0.949 34 K CB 0.480 32.968 32.500 -0.020 0.000 0.976 34 K HN -0.018 nan 8.250 nan 0.000 0.472 35 Y N 3.518 123.820 120.300 0.003 0.000 2.497 35 Y HA 0.088 4.654 4.550 0.026 0.000 0.334 35 Y C -1.724 174.180 175.900 0.006 0.000 1.199 35 Y CA -1.498 56.605 58.100 0.005 0.000 1.425 35 Y CB 0.144 38.611 38.460 0.012 0.000 1.291 35 Y HN 0.603 nan 8.280 nan 0.000 0.562 36 P HA -0.043 nan 4.420 nan 0.000 0.269 36 P C 0.198 177.558 177.300 0.100 0.000 1.209 36 P CA -0.102 63.052 63.100 0.089 0.000 0.776 36 P CB 0.754 32.497 31.700 0.072 0.000 0.876 37 Q N 1.802 121.643 119.800 0.069 0.000 2.234 37 Q HA -0.221 4.136 4.340 0.028 0.000 0.206 37 Q C 0.927 176.968 176.000 0.069 0.000 0.980 37 Q CA 2.002 57.846 55.803 0.068 0.000 0.869 37 Q CB -0.698 28.070 28.738 0.051 0.000 0.912 37 Q HN 0.390 nan 8.270 nan 0.000 0.436 38 D N -0.303 120.133 120.400 0.059 0.000 2.104 38 D HA -0.167 4.490 4.640 0.028 0.000 0.194 38 D C 1.594 177.924 176.300 0.050 0.000 0.994 38 D CA 1.407 55.436 54.000 0.049 0.000 0.830 38 D CB -0.255 40.568 40.800 0.038 0.000 0.959 38 D HN 0.144 nan 8.370 nan 0.000 0.452 39 K N 0.737 121.172 120.400 0.059 0.000 2.057 39 K HA 0.040 4.376 4.320 0.028 0.000 0.206 39 K C 2.083 178.701 176.600 0.031 0.000 1.050 39 K CA 0.595 56.902 56.287 0.033 0.000 0.935 39 K CB -0.520 32.013 32.500 0.056 0.000 0.715 39 K HN 0.127 nan 8.250 nan 0.000 0.439 40 I N 1.097 121.711 120.570 0.074 0.000 2.208 40 I HA -0.302 3.885 4.170 0.028 0.000 0.245 40 I C 1.517 177.715 176.117 0.135 0.000 1.097 40 I CA 1.512 62.867 61.300 0.092 0.000 1.363 40 I CB -0.313 37.750 38.000 0.104 0.000 1.051 40 I HN 0.231 nan 8.210 nan 0.000 0.413 41 D N 0.342 120.817 120.400 0.125 0.000 2.144 41 D HA -0.222 4.435 4.640 0.028 0.000 0.200 41 D C 1.996 178.387 176.300 0.151 0.000 0.978 41 D CA 1.204 55.297 54.000 0.154 0.000 0.833 41 D CB -0.193 40.666 40.800 0.098 0.000 0.961 41 D HN 0.461 nan 8.370 nan 0.000 0.470 42 E N 0.624 120.876 120.200 0.087 0.000 2.106 42 E HA -0.118 4.249 4.350 0.028 0.000 0.192 42 E C 2.119 178.763 176.600 0.074 0.000 0.984 42 E CA 0.560 56.991 56.400 0.052 0.000 0.806 42 E CB 0.273 29.976 29.700 0.005 0.000 0.750 42 E HN -0.020 nan 8.360 nan 0.000 0.458 43 V N 0.873 120.838 119.914 0.084 0.000 2.358 43 V HA -0.213 3.924 4.120 0.028 0.000 0.246 43 V C 2.077 178.262 176.094 0.152 0.000 1.047 43 V CA 1.772 64.158 62.300 0.144 0.000 1.035 43 V CB -0.652 31.226 31.823 0.092 0.000 0.658 43 V HN 0.347 nan 8.190 nan 0.000 0.452 44 F N 1.296 121.259 119.950 0.022 0.000 2.134 44 F HA -0.230 4.319 4.527 0.036 0.000 0.299 44 F C 2.541 178.238 175.800 -0.172 0.000 1.097 44 F CA 2.244 60.213 58.000 -0.052 0.000 1.264 44 F CB -0.341 38.677 39.000 0.030 0.000 1.001 44 F HN 0.166 nan 8.300 nan 0.000 0.479 45 Q N -0.244 119.465 119.800 -0.152 0.000 2.084 45 Q HA -0.284 4.073 4.340 0.028 0.000 0.202 45 Q C 2.003 177.807 176.000 -0.328 0.000 0.978 45 Q CA 2.340 57.977 55.803 -0.277 0.000 0.844 45 Q CB -1.127 27.569 28.738 -0.070 0.000 0.898 45 Q HN 0.623 nan 8.270 nan 0.000 0.426 46 W N 0.670 121.758 121.300 -0.354 0.000 2.402 46 W HA -0.092 4.583 4.660 0.025 0.000 0.286 46 W C 1.824 178.053 176.519 -0.483 0.000 1.221 46 W CA 2.507 59.671 57.345 -0.303 0.000 1.257 46 W CB -0.555 28.804 29.460 -0.169 0.000 1.120 46 W HN 0.306 nan 8.180 nan 0.000 0.551 47 T N -2.872 111.133 114.554 -0.915 0.000 3.085 47 T HA -0.102 4.264 4.350 0.028 0.000 0.263 47 T C 1.499 175.431 174.700 -1.281 0.000 1.127 47 T CA 1.491 62.611 62.100 -1.632 0.000 1.103 47 T CB -0.903 67.174 68.868 -1.318 0.000 0.921 47 T HN 0.235 nan 8.240 nan 0.000 0.510 48 T N 0.041 113.901 114.554 -1.157 0.000 3.086 48 T HA 0.191 4.558 4.350 0.028 0.000 0.250 48 T C 0.949 175.289 174.700 -0.600 0.000 1.074 48 T CA 0.140 61.530 62.100 -1.183 0.000 0.988 48 T CB -0.456 67.467 68.868 -1.575 0.000 0.988 48 T HN 0.613 nan 8.240 nan 0.000 0.530 49 T N -1.065 113.203 114.554 -0.476 0.000 2.862 49 T HA 0.491 4.858 4.350 0.028 0.000 0.276 49 T C 1.054 175.664 174.700 -0.150 0.000 0.974 49 T CA -0.751 61.198 62.100 -0.251 0.000 0.966 49 T CB 1.753 70.527 68.868 -0.158 0.000 1.072 49 T HN -0.035 nan 8.240 nan 0.000 0.538 50 K N 0.204 120.557 120.400 -0.079 0.000 2.097 50 K HA -0.042 4.295 4.320 0.028 0.000 0.205 50 K C 2.058 178.644 176.600 -0.023 0.000 1.050 50 K CA 1.388 57.651 56.287 -0.040 0.000 0.938 50 K CB -0.367 32.121 32.500 -0.020 0.000 0.718 50 K HN 0.708 nan 8.250 nan 0.000 0.442 51 E N -0.910 119.288 120.200 -0.004 0.000 2.077 51 E HA -0.186 4.181 4.350 0.028 0.000 0.193 51 E C 1.702 178.302 176.600 0.000 0.000 0.989 51 E CA 1.370 57.798 56.400 0.046 0.000 0.800 51 E CB -0.434 29.361 29.700 0.158 0.000 0.746 51 E HN 0.402 nan 8.360 nan 0.000 0.452 52 Y N 1.317 121.413 120.300 -0.340 0.000 2.293 52 Y HA -0.222 4.346 4.550 0.031 0.000 0.291 52 Y C 2.423 178.176 175.900 -0.246 0.000 1.137 52 Y CA 1.810 59.588 58.100 -0.537 0.000 1.202 52 Y CB 0.052 37.900 38.460 -1.020 0.000 0.990 52 Y HN 0.068 nan 8.280 nan 0.000 0.537 53 Q N 0.311 120.106 119.800 -0.008 0.000 2.084 53 Q HA -0.232 4.125 4.340 0.028 0.000 0.202 53 Q C 1.908 177.979 176.000 0.118 0.000 0.978 53 Q CA 2.111 57.960 55.803 0.078 0.000 0.844 53 Q CB -0.122 28.645 28.738 0.050 0.000 0.898 53 Q HN 0.619 nan 8.270 nan 0.000 0.426 54 E N 0.208 120.428 120.200 0.034 0.000 2.077 54 E HA -0.184 4.183 4.350 0.028 0.000 0.193 54 E C 2.110 178.738 176.600 0.046 0.000 0.989 54 E CA 1.319 57.748 56.400 0.049 0.000 0.800 54 E CB -0.070 29.645 29.700 0.024 0.000 0.746 54 E HN 0.398 nan 8.360 nan 0.000 0.452 55 L N 1.145 122.345 121.223 -0.040 0.000 2.056 55 L HA -0.173 4.184 4.340 0.028 0.000 0.207 55 L C 2.440 179.244 176.870 -0.110 0.000 1.078 55 L CA 0.828 55.621 54.840 -0.077 0.000 0.749 55 L CB -0.478 41.497 42.059 -0.139 0.000 0.901 55 L HN 0.158 nan 8.230 nan 0.000 0.433 56 N N 0.532 119.106 118.700 -0.209 0.000 2.205 56 N HA -0.213 4.543 4.740 0.028 0.000 0.186 56 N C 1.423 176.936 175.510 0.004 0.000 1.015 56 N CA 1.554 54.505 53.050 -0.165 0.000 0.862 56 N CB -0.143 38.217 38.487 -0.212 0.000 0.986 56 N HN 0.203 nan 8.380 nan 0.000 0.429 57 F N 0.441 120.399 119.950 0.012 0.000 2.773 57 F HA 0.251 4.794 4.527 0.027 0.000 0.304 57 F C 1.818 177.629 175.800 0.018 0.000 1.129 57 F CA 0.122 58.123 58.000 0.001 0.000 1.378 57 F CB 0.283 39.235 39.000 -0.080 0.000 1.095 57 F HN 0.095 nan 8.300 nan 0.000 0.565 58 Q N -0.546 119.329 119.800 0.125 0.000 2.319 58 Q HA 0.133 4.489 4.340 0.028 0.000 0.202 58 Q C 0.502 176.533 176.000 0.052 0.000 0.896 58 Q CA -0.133 55.718 55.803 0.079 0.000 0.942 58 Q CB 0.397 29.165 28.738 0.050 0.000 1.083 58 Q HN 0.197 nan 8.270 nan 0.000 0.510 59 R N 0.894 121.423 120.500 0.048 0.000 2.522 59 R HA -0.036 4.321 4.340 0.028 0.000 0.284 59 R C 0.400 176.722 176.300 0.037 0.000 1.032 59 R CA 0.695 56.806 56.100 0.019 0.000 1.049 59 R CB 0.389 30.676 30.300 -0.022 0.000 0.956 59 R HN 0.293 nan 8.270 nan 0.000 0.422 60 E N 1.088 121.300 120.200 0.020 0.000 2.508 60 E HA 0.080 4.447 4.350 0.028 0.000 0.217 60 E C 0.688 177.299 176.600 0.017 0.000 0.896 60 E CA 0.301 56.718 56.400 0.028 0.000 1.118 60 E CB 1.041 30.756 29.700 0.025 0.000 1.133 60 E HN 0.683 nan 8.360 nan 0.000 0.526 61 A N 0.432 123.251 122.820 -0.002 0.000 2.242 61 A HA 0.228 4.565 4.320 0.028 0.000 0.205 61 A C 0.328 177.896 177.584 -0.027 0.000 1.353 61 A CA -0.247 51.784 52.037 -0.009 0.000 1.005 61 A CB 0.517 19.510 19.000 -0.013 0.000 1.127 61 A HN 0.117 nan 8.150 nan 0.000 0.498 62 L N 1.263 122.456 121.223 -0.050 0.000 2.289 62 L HA 0.635 4.992 4.340 0.028 0.000 0.285 62 L C -0.741 176.065 176.870 -0.107 0.000 1.049 62 L CA 0.518 55.307 54.840 -0.085 0.000 0.804 62 L CB 1.559 43.550 42.059 -0.114 0.000 1.195 62 L HN 0.044 nan 8.230 nan 0.000 0.428 63 T N 4.597 119.087 114.554 -0.106 0.000 2.807 63 T HA 0.651 5.018 4.350 0.028 0.000 0.279 63 T C -0.941 173.657 174.700 -0.170 0.000 0.993 63 T CA -0.373 61.658 62.100 -0.114 0.000 0.970 63 T CB 1.378 70.236 68.868 -0.017 0.000 0.950 63 T HN 0.368 nan 8.240 nan 0.000 0.441 64 V N 4.614 124.391 119.914 -0.228 0.000 2.531 64 V HA 0.411 4.548 4.120 0.028 0.000 0.301 64 V C -0.304 175.683 176.094 -0.178 0.000 1.034 64 V CA -1.194 60.955 62.300 -0.252 0.000 0.865 64 V CB 1.445 33.021 31.823 -0.411 0.000 0.995 64 V HN 0.986 nan 8.190 nan 0.000 0.424 65 N N 2.947 121.543 118.700 -0.174 0.000 2.641 65 N HA -0.115 4.642 4.740 0.028 0.000 0.267 65 N C -2.278 173.126 175.510 -0.177 0.000 1.087 65 N CA 0.463 53.410 53.050 -0.171 0.000 0.731 65 N CB -0.885 37.553 38.487 -0.082 0.000 0.886 65 N HN 0.513 nan 8.380 nan 0.000 0.547 66 P HA 0.237 nan 4.420 nan 0.000 0.272 66 P C -0.422 176.904 177.300 0.043 0.000 1.240 66 P CA -0.263 62.871 63.100 0.058 0.000 0.791 66 P CB 0.800 32.613 31.700 0.188 0.000 0.978 67 A N 1.573 124.571 122.820 0.296 0.000 3.201 67 A HA 0.445 4.782 4.320 0.028 0.000 0.312 67 A C 0.188 177.930 177.584 0.262 0.000 1.011 67 A CA -0.296 51.885 52.037 0.240 0.000 0.987 67 A CB -0.409 18.721 19.000 0.216 0.000 1.060 67 A HN 0.607 nan 8.150 nan 0.000 0.505 68 K N -1.379 119.111 120.400 0.150 0.000 2.642 68 K HA 0.804 5.140 4.320 0.028 0.000 0.290 68 K C -0.863 175.748 176.600 0.018 0.000 1.006 68 K CA -0.510 55.837 56.287 0.100 0.000 0.869 68 K CB 1.029 33.517 32.500 -0.020 0.000 1.499 68 K HN 0.633 nan 8.250 nan 0.000 0.403 69 A N 0.257 123.104 122.820 0.045 0.000 2.437 69 A HA 0.766 5.102 4.320 0.028 0.000 0.292 69 A C -0.198 177.412 177.584 0.044 0.000 1.173 69 A CA -0.515 51.489 52.037 -0.054 0.000 0.785 69 A CB 0.684 19.559 19.000 -0.208 0.000 1.351 69 A HN 1.127 nan 8.150 nan 0.000 0.431 70 C N -1.131 118.176 119.300 0.011 0.000 2.480 70 C HA 0.443 4.920 4.460 0.028 0.000 0.358 70 C C 1.537 176.540 174.990 0.021 0.000 1.309 70 C CA -0.279 58.752 59.018 0.022 0.000 2.465 70 C CB -0.072 27.692 27.740 0.040 0.000 2.379 70 C HN 0.924 nan 8.230 nan 0.000 0.642 71 Q N 1.501 121.293 119.800 -0.013 0.000 2.045 71 Q HA -0.117 4.240 4.340 0.028 0.000 0.206 71 Q C -0.233 175.746 176.000 -0.035 0.000 0.991 71 Q CA 2.296 58.090 55.803 -0.014 0.000 0.851 71 Q CB -1.358 27.356 28.738 -0.039 0.000 0.911 71 Q HN 0.728 nan 8.270 nan 0.000 0.418 72 P HA -0.188 nan 4.420 nan 0.000 0.218 72 P C 1.487 178.503 177.300 -0.474 0.000 1.146 72 P CA 0.996 63.934 63.100 -0.270 0.000 0.813 72 P CB -0.108 31.438 31.700 -0.257 0.000 0.778 73 L N 0.431 121.374 121.223 -0.468 0.000 2.042 73 L HA -0.044 4.313 4.340 0.028 0.000 0.210 73 L C 2.530 179.573 176.870 0.288 0.000 1.076 73 L CA 2.483 57.180 54.840 -0.238 0.000 0.749 73 L CB -1.552 40.473 42.059 -0.055 0.000 0.893 73 L HN -0.039 nan 8.230 nan 0.000 0.432 74 G N -1.441 107.591 108.800 0.386 0.000 2.422 74 G HA2 -0.186 3.791 3.960 0.028 0.000 0.218 74 G HA3 -0.186 3.791 3.960 0.028 0.000 0.218 74 G C 1.578 176.672 174.900 0.323 0.000 1.140 74 G CA 0.661 46.155 45.100 0.658 0.000 0.775 74 G HN 0.621 nan 8.290 nan 0.000 0.545 75 A N 0.197 123.083 122.820 0.110 0.000 1.898 75 A HA 0.113 4.450 4.320 0.028 0.000 0.216 75 A C 2.573 180.149 177.584 -0.014 0.000 1.181 75 A CA 1.660 53.690 52.037 -0.013 0.000 0.620 75 A CB -0.550 18.432 19.000 -0.030 0.000 0.819 75 A HN 0.224 nan 8.150 nan 0.000 0.442 76 V N -0.255 119.683 119.914 0.041 0.000 2.358 76 V HA -0.210 3.927 4.120 0.028 0.000 0.246 76 V C 2.489 178.633 176.094 0.084 0.000 1.047 76 V CA 1.893 64.251 62.300 0.097 0.000 1.035 76 V CB -0.697 31.238 31.823 0.187 0.000 0.658 76 V HN 0.600 nan 8.190 nan 0.000 0.452 77 L N -0.043 121.261 121.223 0.134 0.000 2.083 77 L HA -0.170 4.187 4.340 0.028 0.000 0.209 77 L C 2.427 179.298 176.870 0.002 0.000 1.083 77 L CA 2.303 57.130 54.840 -0.021 0.000 0.752 77 L CB -0.943 41.108 42.059 -0.014 0.000 0.899 77 L HN 0.467 nan 8.230 nan 0.000 0.433 78 C N -0.564 118.644 119.300 -0.153 0.000 2.429 78 C HA -0.051 4.426 4.460 0.028 0.000 0.277 78 C C 2.982 177.975 174.990 0.005 0.000 1.262 78 C CA 0.840 59.592 59.018 -0.442 0.000 1.733 78 C CB -1.367 25.698 27.740 -1.125 0.000 2.010 78 C HN 0.686 nan 8.230 nan 0.000 0.483 79 A N 0.100 122.927 122.820 0.011 0.000 1.902 79 A HA -0.045 4.292 4.320 0.028 0.000 0.217 79 A C 1.973 179.676 177.584 0.198 0.000 1.181 79 A CA 1.502 53.607 52.037 0.114 0.000 0.623 79 A CB -0.756 18.253 19.000 0.016 0.000 0.818 79 A HN 0.523 nan 8.150 nan 0.000 0.443 80 L N 0.104 121.375 121.223 0.080 0.000 2.189 80 L HA -0.117 4.240 4.340 0.028 0.000 0.214 80 L C 2.383 179.250 176.870 -0.004 0.000 1.097 80 L CA 1.649 56.504 54.840 0.025 0.000 0.764 80 L CB -1.177 40.828 42.059 -0.088 0.000 0.900 80 L HN 0.405 nan 8.230 nan 0.000 0.436 81 G N -2.484 106.309 108.800 -0.011 0.000 2.848 81 G HA2 -0.080 3.896 3.960 0.028 0.000 0.208 81 G HA3 -0.080 3.896 3.960 0.028 0.000 0.208 81 G C 0.115 174.784 174.900 -0.385 0.000 1.152 81 G CA -0.201 44.780 45.100 -0.198 0.000 0.789 81 G HN 0.179 nan 8.290 nan 0.000 0.531 82 F N -0.253 119.672 119.950 -0.042 0.000 2.480 82 F HA 0.372 4.915 4.527 0.028 0.000 0.329 82 F C 0.508 176.268 175.800 -0.067 0.000 1.091 82 F CA -1.707 56.260 58.000 -0.055 0.000 0.972 82 F CB 1.481 40.439 39.000 -0.069 0.000 1.150 82 F HN -0.045 nan 8.300 nan 0.000 0.467 83 E N 3.358 123.589 120.200 0.052 0.000 2.652 83 E HA -0.074 4.292 4.350 0.028 0.000 0.255 83 E C -0.048 176.508 176.600 -0.073 0.000 0.952 83 E CA 0.239 56.629 56.400 -0.016 0.000 0.947 83 E CB 0.192 29.869 29.700 -0.039 0.000 0.912 83 E HN 0.587 nan 8.360 nan 0.000 0.489 84 K N 2.262 122.571 120.400 -0.152 0.000 3.078 84 K HA -0.186 4.151 4.320 0.028 0.000 0.261 84 K C -0.855 175.449 176.600 -0.494 0.000 0.947 84 K CA 0.927 56.891 56.287 -0.539 0.000 0.702 84 K CB -1.568 30.644 32.500 -0.480 0.000 1.318 84 K HN 0.484 nan 8.250 nan 0.000 0.473 85 T N 1.067 115.533 114.554 -0.146 0.000 2.794 85 T HA 0.432 4.799 4.350 0.028 0.000 0.280 85 T C -0.167 174.636 174.700 0.172 0.000 0.987 85 T CA -0.669 61.427 62.100 -0.007 0.000 0.993 85 T CB 1.178 70.086 68.868 0.066 0.000 0.939 85 T HN 0.170 nan 8.240 nan 0.000 0.449 86 M N 5.855 125.565 119.600 0.182 0.000 2.061 86 M HA 0.418 4.915 4.480 0.028 0.000 0.346 86 M C -2.703 173.714 176.300 0.194 0.000 1.112 86 M CA -2.510 52.946 55.300 0.259 0.000 1.021 86 M CB 0.813 33.599 32.600 0.310 0.000 1.530 86 M HN 0.125 nan 8.290 nan 0.000 0.437 87 P HA 0.043 nan 4.420 nan 0.000 0.267 87 P C -1.985 175.449 177.300 0.223 0.000 1.205 87 P CA 0.357 63.552 63.100 0.158 0.000 0.765 87 P CB 0.032 31.815 31.700 0.138 0.000 0.828 88 Y N 3.892 124.242 120.300 0.083 0.000 2.326 88 Y HA 0.445 5.012 4.550 0.028 0.000 0.329 88 Y C -1.138 174.834 175.900 0.120 0.000 0.973 88 Y CA -0.882 57.281 58.100 0.104 0.000 1.162 88 Y CB 1.344 39.863 38.460 0.098 0.000 1.147 88 Y HN 0.042 nan 8.280 nan 0.000 0.456 89 V N 6.599 126.579 119.914 0.110 0.000 2.328 89 V HA 0.144 4.281 4.120 0.028 0.000 0.278 89 V C -0.485 175.679 176.094 0.116 0.000 1.021 89 V CA -0.727 61.683 62.300 0.184 0.000 0.838 89 V CB 0.493 32.461 31.823 0.240 0.000 0.999 89 V HN 0.780 nan 8.190 nan 0.000 0.447 90 H N 4.128 123.314 119.070 0.193 0.000 2.819 90 H HA 0.626 5.199 4.556 0.028 0.000 0.303 90 H C 0.434 175.837 175.328 0.125 0.000 1.058 90 H CA 1.274 57.436 56.048 0.190 0.000 1.471 90 H CB 0.522 30.449 29.762 0.275 0.000 1.480 90 H HN 0.940 nan 8.280 nan 0.000 0.517 91 G N 2.290 110.877 108.800 -0.355 0.000 2.347 91 G HA2 -0.040 3.937 3.960 0.028 0.000 0.224 91 G HA3 -0.040 3.937 3.960 0.028 0.000 0.224 91 G C -1.084 173.733 174.900 -0.139 0.000 1.318 91 G CA -0.422 44.539 45.100 -0.232 0.000 1.016 91 G HN 0.628 nan 8.290 nan 0.000 0.469 92 S N 1.013 116.667 115.700 -0.077 0.000 2.548 92 S HA 0.313 4.800 4.470 0.028 0.000 0.277 92 S C 1.661 176.200 174.600 -0.101 0.000 1.315 92 S CA 0.506 58.661 58.200 -0.076 0.000 1.050 92 S CB 1.433 64.601 63.200 -0.053 0.000 0.918 92 S HN 0.766 nan 8.310 nan 0.000 0.497 93 Q N 2.920 122.652 119.800 -0.114 0.000 2.224 93 Q HA -0.044 4.313 4.340 0.028 0.000 0.203 93 Q C 1.868 177.749 176.000 -0.197 0.000 0.970 93 Q CA 1.376 57.095 55.803 -0.139 0.000 0.865 93 Q CB -0.593 28.075 28.738 -0.117 0.000 0.922 93 Q HN 0.783 nan 8.270 nan 0.000 0.445 94 G N 0.916 109.596 108.800 -0.201 0.000 2.462 94 G HA2 -0.241 3.736 3.960 0.028 0.000 0.220 94 G HA3 -0.241 3.736 3.960 0.028 0.000 0.220 94 G C 1.325 176.016 174.900 -0.348 0.000 1.121 94 G CA 0.884 45.807 45.100 -0.295 0.000 0.758 94 G HN 0.478 nan 8.290 nan 0.000 0.559 95 C N -0.229 118.880 119.300 -0.318 0.000 2.446 95 C HA 0.018 4.495 4.460 0.028 0.000 0.277 95 C C 3.008 177.302 174.990 -1.160 0.000 1.275 95 C CA 0.625 59.276 59.018 -0.612 0.000 1.727 95 C CB -0.846 26.682 27.740 -0.353 0.000 2.010 95 C HN 0.301 nan 8.230 nan 0.000 0.486 96 V N 1.462 121.030 119.914 -0.577 0.000 2.427 96 V HA -0.161 3.976 4.120 0.028 0.000 0.248 96 V C 2.716 178.699 176.094 -0.183 0.000 1.051 96 V CA 2.048 64.180 62.300 -0.279 0.000 1.048 96 V CB -1.249 30.538 31.823 -0.059 0.000 0.666 96 V HN 0.584 nan 8.190 nan 0.000 0.456 97 A N -0.851 121.827 122.820 -0.238 0.000 1.902 97 A HA -0.227 4.109 4.320 0.028 0.000 0.217 97 A C 2.103 179.632 177.584 -0.091 0.000 1.181 97 A CA 1.886 53.813 52.037 -0.184 0.000 0.623 97 A CB -0.698 18.120 19.000 -0.302 0.000 0.818 97 A HN 0.532 nan 8.150 nan 0.000 0.443 98 Y N -0.994 119.177 120.300 -0.214 0.000 2.200 98 Y HA -0.102 4.465 4.550 0.028 0.000 0.290 98 Y C 2.185 178.069 175.900 -0.028 0.000 1.137 98 Y CA 0.759 58.761 58.100 -0.164 0.000 1.163 98 Y CB -0.970 37.331 38.460 -0.264 0.000 0.988 98 Y HN 0.346 nan 8.280 nan 0.000 0.518 99 F N -0.066 119.988 119.950 0.174 0.000 2.134 99 F HA -0.163 4.381 4.527 0.028 0.000 0.299 99 F C 2.299 178.218 175.800 0.199 0.000 1.097 99 F CA 1.058 59.124 58.000 0.110 0.000 1.264 99 F CB -1.175 37.912 39.000 0.145 0.000 1.001 99 F HN -0.047 nan 8.300 nan 0.000 0.479 100 R N -0.085 120.645 120.500 0.384 0.000 2.075 100 R HA -0.096 4.261 4.340 0.028 0.000 0.232 100 R C 2.352 178.831 176.300 0.298 0.000 1.126 100 R CA 1.569 57.873 56.100 0.339 0.000 0.963 100 R CB -0.865 29.554 30.300 0.199 0.000 0.858 100 R HN 0.165 nan 8.270 nan 0.000 0.435 101 S N 0.357 116.193 115.700 0.227 0.000 2.368 101 S HA -0.182 4.305 4.470 0.028 0.000 0.225 101 S C 1.655 176.376 174.600 0.201 0.000 1.030 101 S CA 1.189 59.492 58.200 0.172 0.000 0.999 101 S CB -0.387 62.906 63.200 0.155 0.000 0.844 101 S HN 0.311 nan 8.310 nan 0.000 0.459 102 Y N 1.010 121.374 120.300 0.107 0.000 2.145 102 Y HA -0.134 4.433 4.550 0.028 0.000 0.286 102 Y C 1.887 177.963 175.900 0.293 0.000 1.145 102 Y CA 1.255 59.420 58.100 0.108 0.000 1.148 102 Y CB -0.450 38.034 38.460 0.040 0.000 0.981 102 Y HN 0.194 nan 8.280 nan 0.000 0.507 103 F N 0.067 120.329 119.950 0.522 0.000 2.259 103 F HA -0.159 4.385 4.527 0.028 0.000 0.298 103 F C 2.178 178.233 175.800 0.424 0.000 1.088 103 F CA 0.918 59.241 58.000 0.539 0.000 1.358 103 F CB -0.925 38.396 39.000 0.535 0.000 1.040 103 F HN 0.093 nan 8.300 nan 0.000 0.505 104 N N 0.461 119.425 118.700 0.440 0.000 2.120 104 N HA -0.153 4.604 4.740 0.028 0.000 0.188 104 N C 1.995 177.598 175.510 0.155 0.000 1.024 104 N CA 1.168 54.366 53.050 0.247 0.000 0.852 104 N CB -0.355 38.212 38.487 0.134 0.000 1.003 104 N HN 0.279 nan 8.380 nan 0.000 0.424 105 R N -0.433 120.116 120.500 0.081 0.000 2.075 105 R HA -0.096 4.260 4.340 0.028 0.000 0.232 105 R C 2.117 178.521 176.300 0.172 0.000 1.126 105 R CA 1.182 57.255 56.100 -0.045 0.000 0.963 105 R CB -0.405 29.564 30.300 -0.552 0.000 0.858 105 R HN 0.422 nan 8.270 nan 0.000 0.435 106 H N -0.471 118.736 119.070 0.228 0.000 2.357 106 H HA -0.060 4.513 4.556 0.028 0.000 0.301 106 H C 1.149 176.288 175.328 -0.315 0.000 1.082 106 H CA 1.680 57.699 56.048 -0.048 0.000 1.342 106 H CB 0.076 29.712 29.762 -0.210 0.000 1.389 106 H HN 0.080 nan 8.280 nan 0.000 0.511 107 F N -0.030 119.878 119.950 -0.069 0.000 2.754 107 F HA 0.261 4.806 4.527 0.029 0.000 0.297 107 F C 0.857 176.394 175.800 -0.438 0.000 1.122 107 F CA 0.320 58.020 58.000 -0.500 0.000 1.400 107 F CB 0.179 39.071 39.000 -0.181 0.000 1.117 107 F HN -0.029 nan 8.300 nan 0.000 0.587 108 R N 1.089 121.570 120.500 -0.031 0.000 3.416 108 R HA -0.175 4.182 4.340 0.028 0.000 0.263 108 R C -0.856 175.483 176.300 0.066 0.000 1.053 108 R CA 0.524 56.616 56.100 -0.012 0.000 0.705 108 R CB -1.721 28.537 30.300 -0.070 0.000 1.124 108 R HN 0.232 nan 8.270 nan 0.000 0.444 109 E N -0.235 120.022 120.200 0.096 0.000 2.393 109 E HA 0.375 4.742 4.350 0.028 0.000 0.273 109 E C -2.496 174.154 176.600 0.082 0.000 0.918 109 E CA -2.088 54.365 56.400 0.088 0.000 0.773 109 E CB 1.856 31.595 29.700 0.065 0.000 1.275 109 E HN -0.106 nan 8.360 nan 0.000 0.451 110 P HA 0.143 nan 4.420 nan 0.000 0.271 110 P C -0.479 176.874 177.300 0.088 0.000 1.216 110 P CA -0.216 62.913 63.100 0.048 0.000 0.776 110 P CB 0.726 32.425 31.700 -0.001 0.000 0.881 111 V N 2.900 122.873 119.914 0.098 0.000 2.443 111 V HA 0.211 4.348 4.120 0.028 0.000 0.293 111 V C 0.134 176.287 176.094 0.099 0.000 1.021 111 V CA -0.344 62.027 62.300 0.119 0.000 0.848 111 V CB 1.706 33.670 31.823 0.235 0.000 0.998 111 V HN 0.509 nan 8.190 nan 0.000 0.424 112 S N 3.648 119.389 115.700 0.069 0.000 2.457 112 S HA 0.688 5.175 4.470 0.028 0.000 0.289 112 S C -0.481 174.145 174.600 0.044 0.000 1.163 112 S CA -0.456 57.757 58.200 0.021 0.000 1.078 112 S CB 1.156 64.333 63.200 -0.039 0.000 0.987 112 S HN 0.959 nan 8.310 nan 0.000 0.482 113 C N 3.882 123.194 119.300 0.020 0.000 3.283 113 C HA 0.705 5.182 4.460 0.028 0.000 0.359 113 C C -0.955 174.035 174.990 0.001 0.000 1.160 113 C CA -0.513 58.544 59.018 0.065 0.000 1.232 113 C CB 0.068 27.910 27.740 0.169 0.000 1.571 113 C HN 0.837 nan 8.230 nan 0.000 0.522 114 V N 2.210 122.117 119.914 -0.012 0.000 3.158 114 V HA 1.000 5.137 4.120 0.028 0.000 0.315 114 V C -0.127 175.860 176.094 -0.177 0.000 1.148 114 V CA -0.273 61.967 62.300 -0.100 0.000 1.042 114 V CB 1.456 33.211 31.823 -0.114 0.000 1.101 114 V HN 1.261 nan 8.190 nan 0.000 0.448 115 S N -0.658 114.894 115.700 -0.245 0.000 2.627 115 S HA 0.583 5.070 4.470 0.028 0.000 0.283 115 S C -0.632 173.756 174.600 -0.353 0.000 1.127 115 S CA 0.052 58.088 58.200 -0.273 0.000 0.863 115 S CB 2.010 65.123 63.200 -0.146 0.000 1.121 115 S HN 1.051 nan 8.310 nan 0.000 0.479 116 D N 0.419 120.644 120.400 -0.293 0.000 2.402 116 D HA 0.255 4.912 4.640 0.028 0.000 0.216 116 D C 0.062 176.317 176.300 -0.076 0.000 1.128 116 D CA -0.157 53.751 54.000 -0.154 0.000 0.833 116 D CB -0.178 40.648 40.800 0.044 0.000 0.971 116 D HN 0.385 nan 8.370 nan 0.000 0.503 117 S N -0.020 115.621 115.700 -0.099 0.000 3.524 117 S HA -0.252 4.234 4.470 0.028 0.000 0.377 117 S C 0.179 174.746 174.600 -0.056 0.000 0.949 117 S CA 0.140 58.297 58.200 -0.073 0.000 1.264 117 S CB -1.715 61.455 63.200 -0.052 0.000 0.918 117 S HN 0.496 nan 8.310 nan 0.000 0.517 118 M N 2.022 121.576 119.600 -0.076 0.000 2.227 118 M HA 0.143 4.639 4.480 0.028 0.000 0.349 118 M C 1.283 177.563 176.300 -0.033 0.000 1.443 118 M CA 0.309 55.576 55.300 -0.053 0.000 1.110 118 M CB 0.464 33.009 32.600 -0.093 0.000 1.773 118 M HN 0.578 nan 8.290 nan 0.000 0.463 119 T N -1.455 113.094 114.554 -0.010 0.000 2.898 119 T HA 0.276 4.643 4.350 0.028 0.000 0.283 119 T C 0.937 175.641 174.700 0.006 0.000 1.059 119 T CA -0.726 61.371 62.100 -0.005 0.000 0.958 119 T CB 0.692 69.561 68.868 0.001 0.000 1.594 119 T HN 0.715 nan 8.240 nan 0.000 0.598 120 E N 0.774 120.978 120.200 0.006 0.000 2.110 120 E HA -0.196 4.171 4.350 0.028 0.000 0.193 120 E C 1.817 178.423 176.600 0.011 0.000 0.988 120 E CA 1.628 58.028 56.400 0.001 0.000 0.804 120 E CB -0.150 29.549 29.700 -0.003 0.000 0.745 120 E HN 0.744 nan 8.360 nan 0.000 0.458 121 D N 0.203 120.641 120.400 0.062 0.000 2.144 121 D HA -0.177 4.480 4.640 0.028 0.000 0.200 121 D C 1.829 178.241 176.300 0.187 0.000 0.978 121 D CA 1.200 55.296 54.000 0.160 0.000 0.833 121 D CB -0.279 40.668 40.800 0.246 0.000 0.961 121 D HN 0.225 nan 8.370 nan 0.000 0.470 122 A N 1.370 124.265 122.820 0.124 0.000 1.969 122 A HA 0.166 4.503 4.320 0.028 0.000 0.218 122 A C 2.475 180.101 177.584 0.070 0.000 1.169 122 A CA 1.793 53.897 52.037 0.111 0.000 0.635 122 A CB -0.622 18.414 19.000 0.061 0.000 0.810 122 A HN 0.352 nan 8.150 nan 0.000 0.445 123 A N 0.054 122.889 122.820 0.024 0.000 1.877 123 A HA -0.020 4.317 4.320 0.028 0.000 0.216 123 A C 2.355 179.917 177.584 -0.036 0.000 1.186 123 A CA 2.230 54.271 52.037 0.006 0.000 0.620 123 A CB -1.193 17.800 19.000 -0.011 0.000 0.822 123 A HN 1.162 nan 8.150 nan 0.000 0.443 124 V N -4.270 115.564 119.914 -0.134 0.000 2.453 124 V HA -0.046 4.090 4.120 0.028 0.000 0.247 124 V C 2.056 177.912 176.094 -0.397 0.000 1.048 124 V CA 1.806 63.920 62.300 -0.309 0.000 1.049 124 V CB -0.971 30.549 31.823 -0.504 0.000 0.672 124 V HN 0.327 nan 8.190 nan 0.000 0.457 125 F N 2.072 122.034 119.950 0.021 0.000 2.698 125 F HA 0.678 5.222 4.527 0.028 0.000 0.295 125 F C 1.487 177.301 175.800 0.024 0.000 1.124 125 F CA 0.422 58.430 58.000 0.014 0.000 1.426 125 F CB -0.147 38.849 39.000 -0.007 0.000 1.120 125 F HN 0.585 nan 8.300 nan 0.000 0.583 126 G N -0.327 108.575 108.800 0.169 0.000 2.612 126 G HA2 0.086 4.063 3.960 0.028 0.000 0.686 126 G HA3 0.086 4.063 3.960 0.028 0.000 0.686 126 G C 0.544 175.523 174.900 0.132 0.000 1.274 126 G CA -0.666 44.544 45.100 0.183 0.000 0.849 126 G HN 0.451 nan 8.290 nan 0.000 0.595 127 G N -0.725 108.210 108.800 0.224 0.000 3.314 127 G HA2 0.342 4.319 3.960 0.028 0.000 0.238 127 G HA3 0.342 4.319 3.960 0.028 0.000 0.238 127 G C 1.171 175.956 174.900 -0.191 0.000 1.184 127 G CA 1.337 46.566 45.100 0.214 0.000 0.806 127 G HN 0.908 nan 8.290 nan 0.000 0.536 128 Q N 0.480 119.826 119.800 -0.756 0.000 2.096 128 Q HA -0.177 4.179 4.340 0.028 0.000 0.204 128 Q C 2.380 178.102 176.000 -0.462 0.000 0.982 128 Q CA 2.002 57.208 55.803 -0.995 0.000 0.850 128 Q CB -0.219 27.992 28.738 -0.878 0.000 0.901 128 Q HN 0.436 nan 8.270 nan 0.000 0.422 129 Q N 0.195 119.819 119.800 -0.293 0.000 2.046 129 Q HA -0.060 4.296 4.340 0.028 0.000 0.200 129 Q C 1.648 177.542 176.000 -0.178 0.000 0.975 129 Q CA 2.112 57.774 55.803 -0.235 0.000 0.836 129 Q CB -0.298 28.348 28.738 -0.153 0.000 0.896 129 Q HN 0.605 nan 8.270 nan 0.000 0.428 130 N N -0.600 118.061 118.700 -0.065 0.000 2.149 130 N HA -0.193 4.564 4.740 0.028 0.000 0.188 130 N C 1.648 177.202 175.510 0.073 0.000 1.019 130 N CA 1.479 54.541 53.050 0.021 0.000 0.857 130 N CB -0.159 38.377 38.487 0.081 0.000 0.997 130 N HN 0.285 nan 8.380 nan 0.000 0.426 131 M N 1.905 121.547 119.600 0.070 0.000 2.117 131 M HA -0.101 4.396 4.480 0.028 0.000 0.262 131 M C 1.716 177.954 176.300 -0.103 0.000 1.065 131 M CA 1.614 56.957 55.300 0.072 0.000 1.114 131 M CB 0.016 32.594 32.600 -0.037 0.000 1.361 131 M HN -0.093 nan 8.290 nan 0.000 0.408 132 K N -0.229 119.971 120.400 -0.333 0.000 2.025 132 K HA -0.133 4.203 4.320 0.028 0.000 0.207 132 K C 1.706 178.000 176.600 -0.509 0.000 1.049 132 K CA 1.573 57.448 56.287 -0.687 0.000 0.933 132 K CB -0.344 31.254 32.500 -1.504 0.000 0.714 132 K HN 0.368 nan 8.250 nan 0.000 0.438 133 D N 0.083 120.277 120.400 -0.344 0.000 2.117 133 D HA -0.093 4.564 4.640 0.028 0.000 0.198 133 D C 2.014 178.356 176.300 0.071 0.000 0.982 133 D CA 1.320 55.281 54.000 -0.066 0.000 0.828 133 D CB -0.435 40.344 40.800 -0.035 0.000 0.967 133 D HN 0.338 nan 8.370 nan 0.000 0.464 134 G N 0.916 109.790 108.800 0.123 0.000 2.418 134 G HA2 -0.183 3.793 3.960 0.028 0.000 0.217 134 G HA3 -0.183 3.793 3.960 0.028 0.000 0.217 134 G C 1.831 176.958 174.900 0.377 0.000 1.158 134 G CA 0.254 45.523 45.100 0.283 0.000 0.771 134 G HN 0.226 nan 8.290 nan 0.000 0.545 135 L N -0.221 121.134 121.223 0.221 0.000 2.027 135 L HA -0.101 4.255 4.340 0.028 0.000 0.206 135 L C 2.987 179.915 176.870 0.098 0.000 1.074 135 L CA 1.557 56.445 54.840 0.081 0.000 0.745 135 L CB -0.468 41.553 42.059 -0.065 0.000 0.898 135 L HN 0.324 nan 8.230 nan 0.000 0.433 136 Q N 0.179 120.051 119.800 0.119 0.000 2.050 136 Q HA -0.207 4.150 4.340 0.028 0.000 0.202 136 Q C 1.989 178.044 176.000 0.092 0.000 0.980 136 Q CA 1.645 57.514 55.803 0.111 0.000 0.840 136 Q CB 0.110 28.988 28.738 0.233 0.000 0.898 136 Q HN 0.483 nan 8.270 nan 0.000 0.424 137 N N 0.306 119.083 118.700 0.129 0.000 2.142 137 N HA -0.160 4.597 4.740 0.028 0.000 0.186 137 N C 1.936 177.539 175.510 0.156 0.000 1.023 137 N CA 1.266 54.387 53.050 0.118 0.000 0.852 137 N CB -0.905 37.656 38.487 0.124 0.000 0.998 137 N HN 0.351 nan 8.380 nan 0.000 0.424 138 C N 1.731 121.177 119.300 0.244 0.000 2.432 138 C HA -0.035 4.441 4.460 0.028 0.000 0.277 138 C C 2.674 177.831 174.990 0.279 0.000 1.249 138 C CA 0.887 60.120 59.018 0.358 0.000 1.725 138 C CB -0.839 27.157 27.740 0.427 0.000 2.028 138 C HN 0.428 nan 8.230 nan 0.000 0.477 139 K N 0.432 120.920 120.400 0.146 0.000 2.026 139 K HA -0.099 4.238 4.320 0.028 0.000 0.208 139 K C 2.180 178.792 176.600 0.020 0.000 1.048 139 K CA 1.735 58.042 56.287 0.033 0.000 0.929 139 K CB -0.391 31.960 32.500 -0.248 0.000 0.713 139 K HN 0.531 nan 8.250 nan 0.000 0.439 140 A N 0.442 123.261 122.820 -0.002 0.000 1.873 140 A HA -0.110 4.227 4.320 0.028 0.000 0.215 140 A C 2.200 179.757 177.584 -0.046 0.000 1.186 140 A CA 2.108 54.131 52.037 -0.023 0.000 0.616 140 A CB -0.984 18.002 19.000 -0.023 0.000 0.823 140 A HN 0.447 nan 8.150 nan 0.000 0.442 141 T N -1.407 113.095 114.554 -0.087 0.000 2.737 141 T HA -0.088 4.279 4.350 0.028 0.000 0.265 141 T C 1.492 175.902 174.700 -0.484 0.000 1.038 141 T CA 1.751 63.668 62.100 -0.305 0.000 1.144 141 T CB -0.366 68.248 68.868 -0.423 0.000 0.866 141 T HN 0.549 nan 8.240 nan 0.000 0.434 142 Y N 0.733 121.113 120.300 0.133 0.000 2.462 142 Y HA 0.349 4.916 4.550 0.028 0.000 0.261 142 Y C 0.926 176.981 175.900 0.259 0.000 1.146 142 Y CA -0.639 57.574 58.100 0.189 0.000 1.283 142 Y CB -0.134 38.459 38.460 0.221 0.000 1.090 142 Y HN 0.057 nan 8.280 nan 0.000 0.526 143 K N 0.345 120.898 120.400 0.254 0.000 3.078 143 K HA -0.194 4.143 4.320 0.028 0.000 0.261 143 K C -2.710 174.012 176.600 0.204 0.000 0.947 143 K CA 0.190 56.600 56.287 0.206 0.000 0.702 143 K CB -1.401 31.186 32.500 0.145 0.000 1.318 143 K HN 0.315 nan 8.250 nan 0.000 0.473 144 P HA 0.050 nan 4.420 nan 0.000 0.274 144 P C -0.078 177.258 177.300 0.060 0.000 1.246 144 P CA -0.103 62.958 63.100 -0.066 0.000 0.795 144 P CB 0.703 32.438 31.700 0.059 0.000 1.006 145 D N -0.505 119.825 120.400 -0.115 0.000 2.289 145 D HA 0.118 4.774 4.640 0.028 0.000 0.207 145 D C 0.780 176.925 176.300 -0.258 0.000 0.966 145 D CA 1.234 55.193 54.000 -0.068 0.000 0.868 145 D CB 0.227 40.959 40.800 -0.114 0.000 0.943 145 D HN 0.338 nan 8.370 nan 0.000 0.514 146 M N 0.097 119.557 119.600 -0.233 0.000 2.520 146 M HA 0.360 4.856 4.480 0.028 0.000 0.280 146 M C -2.060 174.157 176.300 -0.138 0.000 1.232 146 M CA -0.516 54.568 55.300 -0.360 0.000 0.892 146 M CB 2.525 34.971 32.600 -0.256 0.000 1.728 146 M HN -0.335 nan 8.290 nan 0.000 0.475 147 I N 3.053 123.531 120.570 -0.154 0.000 2.410 147 I HA 0.573 4.760 4.170 0.028 0.000 0.286 147 I C -0.501 175.540 176.117 -0.126 0.000 1.009 147 I CA -0.728 60.567 61.300 -0.009 0.000 1.111 147 I CB 1.962 40.021 38.000 0.099 0.000 1.262 147 I HN 0.791 nan 8.210 nan 0.000 0.443 148 A N 7.073 129.850 122.820 -0.073 0.000 2.249 148 A HA 0.696 5.032 4.320 0.028 0.000 0.314 148 A C -0.505 177.072 177.584 -0.012 0.000 1.290 148 A CA -0.448 51.509 52.037 -0.133 0.000 0.893 148 A CB 0.735 19.634 19.000 -0.169 0.000 1.165 148 A HN 0.447 nan 8.150 nan 0.000 0.530 149 V N 3.189 123.086 119.914 -0.028 0.000 2.439 149 V HA 0.595 4.732 4.120 0.028 0.000 0.282 149 V C 0.547 176.690 176.094 0.081 0.000 1.039 149 V CA 0.013 62.362 62.300 0.082 0.000 0.913 149 V CB 1.044 32.873 31.823 0.011 0.000 0.983 149 V HN 1.077 nan 8.190 nan 0.000 0.460 150 S N 2.751 118.534 115.700 0.139 0.000 2.745 150 S HA 0.908 5.395 4.470 0.028 0.000 0.306 150 S C -0.322 174.372 174.600 0.157 0.000 1.137 150 S CA -0.530 57.728 58.200 0.095 0.000 0.900 150 S CB 2.269 65.504 63.200 0.059 0.000 1.176 150 S HN 0.886 nan 8.310 nan 0.000 0.520 151 T N -1.271 113.358 114.554 0.125 0.000 2.907 151 T HA 0.731 5.097 4.350 0.028 0.000 0.292 151 T C 0.216 175.000 174.700 0.139 0.000 1.043 151 T CA -0.458 61.738 62.100 0.160 0.000 1.003 151 T CB 1.105 70.071 68.868 0.164 0.000 1.084 151 T HN 1.008 nan 8.240 nan 0.000 0.483 152 T N -1.410 113.227 114.554 0.139 0.000 2.810 152 T HA 0.250 4.617 4.350 0.028 0.000 0.277 152 T C 2.003 176.765 174.700 0.105 0.000 0.973 152 T CA -0.153 62.033 62.100 0.144 0.000 0.949 152 T CB 0.068 68.997 68.868 0.102 0.000 1.075 152 T HN 1.130 nan 8.240 nan 0.000 0.537 153 C N 0.776 120.141 119.300 0.109 0.000 2.440 153 C HA -0.027 4.450 4.460 0.028 0.000 0.278 153 C C 2.758 177.882 174.990 0.224 0.000 1.295 153 C CA 0.850 59.956 59.018 0.148 0.000 1.738 153 C CB -2.108 25.765 27.740 0.221 0.000 1.987 153 C HN 0.957 nan 8.230 nan 0.000 0.492 154 M N 3.087 122.777 119.600 0.150 0.000 2.159 154 M HA 0.181 4.677 4.480 0.028 0.000 0.263 154 M C 2.181 178.559 176.300 0.130 0.000 1.063 154 M CA 2.445 57.819 55.300 0.124 0.000 1.110 154 M CB -1.081 31.559 32.600 0.067 0.000 1.374 154 M HN 0.202 nan 8.290 nan 0.000 0.411 155 A N 0.079 122.974 122.820 0.126 0.000 1.969 155 A HA -0.068 4.269 4.320 0.028 0.000 0.218 155 A C 2.147 179.853 177.584 0.204 0.000 1.169 155 A CA 1.487 53.626 52.037 0.170 0.000 0.635 155 A CB -0.569 18.552 19.000 0.202 0.000 0.810 155 A HN 0.572 nan 8.150 nan 0.000 0.445 156 E N -0.072 120.252 120.200 0.206 0.000 2.072 156 E HA -0.095 4.272 4.350 0.028 0.000 0.191 156 E C 2.215 178.985 176.600 0.282 0.000 0.985 156 E CA 1.245 57.787 56.400 0.236 0.000 0.801 156 E CB -0.525 29.273 29.700 0.163 0.000 0.750 156 E HN 0.384 nan 8.360 nan 0.000 0.452 157 V N 2.380 122.467 119.914 0.288 0.000 2.343 157 V HA -0.218 3.918 4.120 0.028 0.000 0.247 157 V C 2.455 178.614 176.094 0.109 0.000 1.051 157 V CA 1.789 64.195 62.300 0.178 0.000 1.036 157 V CB -0.660 31.227 31.823 0.107 0.000 0.654 157 V HN 0.345 nan 8.190 nan 0.000 0.451 158 I N -1.067 119.572 120.570 0.114 0.000 3.564 158 I HA 0.367 4.554 4.170 0.028 0.000 0.294 158 I C 1.377 177.553 176.117 0.097 0.000 1.289 158 I CA 0.837 62.193 61.300 0.092 0.000 1.325 158 I CB -0.709 37.350 38.000 0.098 0.000 1.039 158 I HN 0.361 nan 8.210 nan 0.000 0.474 159 G N 1.841 110.703 108.800 0.103 0.000 2.225 159 G HA2 -0.248 3.729 3.960 0.028 0.000 0.264 159 G HA3 -0.248 3.729 3.960 0.028 0.000 0.264 159 G C -0.469 174.456 174.900 0.042 0.000 1.060 159 G CA 0.208 45.345 45.100 0.062 0.000 0.833 159 G HN 0.519 nan 8.290 nan 0.000 0.498 160 D N 0.573 121.025 120.400 0.086 0.000 2.401 160 D HA 0.335 4.991 4.640 0.028 0.000 0.254 160 D C 0.317 176.372 176.300 -0.408 0.000 1.192 160 D CA 0.106 54.067 54.000 -0.064 0.000 0.885 160 D CB 0.942 41.907 40.800 0.274 0.000 1.147 160 D HN 0.214 nan 8.370 nan 0.000 0.478 161 D N 3.295 123.180 120.400 -0.859 0.000 2.374 161 D HA 0.045 4.702 4.640 0.028 0.000 0.240 161 D C 1.257 176.924 176.300 -1.055 0.000 1.229 161 D CA -0.235 53.370 54.000 -0.658 0.000 0.895 161 D CB 0.446 40.987 40.800 -0.432 0.000 1.046 161 D HN 0.319 nan 8.370 nan 0.000 0.498 162 L N 3.337 124.118 121.223 -0.738 0.000 2.046 162 L HA -0.190 4.167 4.340 0.028 0.000 0.208 162 L C 2.086 178.352 176.870 -1.007 0.000 1.077 162 L CA 0.916 55.240 54.840 -0.859 0.000 0.747 162 L CB -0.462 41.060 42.059 -0.894 0.000 0.896 162 L HN 0.400 nan 8.230 nan 0.000 0.432 163 N N 0.369 118.383 118.700 -1.143 0.000 2.084 163 N HA -0.183 4.573 4.740 0.028 0.000 0.190 163 N C 1.790 177.080 175.510 -0.366 0.000 1.030 163 N CA 1.706 54.217 53.050 -0.900 0.000 0.849 163 N CB -0.068 38.224 38.487 -0.325 0.000 1.012 163 N HN 0.276 nan 8.380 nan 0.000 0.423 164 A N -0.457 122.211 122.820 -0.254 0.000 1.898 164 A HA -0.024 4.313 4.320 0.028 0.000 0.216 164 A C 1.890 179.530 177.584 0.094 0.000 1.181 164 A CA 0.963 52.965 52.037 -0.058 0.000 0.620 164 A CB -0.895 18.096 19.000 -0.016 0.000 0.819 164 A HN 0.344 nan 8.150 nan 0.000 0.442 165 F N 0.063 119.889 119.950 -0.205 0.000 2.134 165 F HA -0.082 4.462 4.527 0.028 0.000 0.299 165 F C 2.211 177.893 175.800 -0.196 0.000 1.097 165 F CA 0.401 58.281 58.000 -0.201 0.000 1.264 165 F CB -1.028 37.805 39.000 -0.279 0.000 1.001 165 F HN 0.129 nan 8.300 nan 0.000 0.479 166 I N -0.090 120.451 120.570 -0.049 0.000 2.252 166 I HA -0.305 3.881 4.170 0.028 0.000 0.245 166 I C 2.143 178.252 176.117 -0.014 0.000 1.102 166 I CA 1.034 62.285 61.300 -0.081 0.000 1.385 166 I CB -0.472 37.428 38.000 -0.166 0.000 1.064 166 I HN 0.068 nan 8.210 nan 0.000 0.414 167 N N 1.190 119.882 118.700 -0.013 0.000 2.120 167 N HA -0.169 4.588 4.740 0.028 0.000 0.188 167 N C 1.496 177.031 175.510 0.042 0.000 1.024 167 N CA 1.510 54.573 53.050 0.022 0.000 0.852 167 N CB -0.696 37.800 38.487 0.015 0.000 1.003 167 N HN 0.476 nan 8.380 nan 0.000 0.424 168 N N 0.019 118.746 118.700 0.045 0.000 2.309 168 N HA -0.004 4.753 4.740 0.028 0.000 0.182 168 N C 1.597 177.159 175.510 0.087 0.000 1.018 168 N CA 0.679 53.763 53.050 0.056 0.000 0.876 168 N CB 0.044 38.555 38.487 0.040 0.000 0.972 168 N HN 0.072 nan 8.380 nan 0.000 0.434 169 S N 0.754 116.494 115.700 0.067 0.000 2.368 169 S HA -0.050 4.437 4.470 0.028 0.000 0.224 169 S C 1.684 176.403 174.600 0.199 0.000 1.029 169 S CA 1.005 59.282 58.200 0.128 0.000 0.988 169 S CB 0.006 63.219 63.200 0.021 0.000 0.838 169 S HN 0.287 nan 8.310 nan 0.000 0.462 170 K N 1.175 121.643 120.400 0.113 0.000 2.062 170 K HA -0.018 4.319 4.320 0.028 0.000 0.205 170 K C 2.253 178.897 176.600 0.074 0.000 1.051 170 K CA 0.789 57.132 56.287 0.094 0.000 0.941 170 K CB -0.129 32.419 32.500 0.081 0.000 0.719 170 K HN 0.072 nan 8.250 nan 0.000 0.440 171 K N 2.005 122.447 120.400 0.070 0.000 2.147 171 K HA -0.172 4.165 4.320 0.028 0.000 0.205 171 K C 0.907 177.534 176.600 0.044 0.000 1.049 171 K CA 1.622 57.939 56.287 0.050 0.000 0.936 171 K CB 0.132 32.660 32.500 0.046 0.000 0.722 171 K HN 0.215 nan 8.250 nan 0.000 0.446 172 E N -0.847 119.404 120.200 0.084 0.000 2.479 172 E HA 0.090 4.457 4.350 0.028 0.000 0.193 172 E C 0.472 177.016 176.600 -0.094 0.000 1.049 172 E CA 0.328 56.758 56.400 0.051 0.000 0.870 172 E CB 0.197 30.023 29.700 0.209 0.000 0.944 172 E HN 0.545 nan 8.360 nan 0.000 0.492 173 G N 0.821 109.592 108.800 -0.049 0.000 2.147 173 G HA2 -0.310 3.667 3.960 0.028 0.000 0.244 173 G HA3 -0.310 3.667 3.960 0.028 0.000 0.244 173 G C 0.483 175.257 174.900 -0.212 0.000 1.005 173 G CA 0.202 45.226 45.100 -0.127 0.000 0.713 173 G HN 0.306 nan 8.290 nan 0.000 0.515 174 F N 0.304 120.233 119.950 -0.035 0.000 2.186 174 F HA 0.256 4.799 4.527 0.028 0.000 0.299 174 F C 1.807 177.563 175.800 -0.074 0.000 1.090 174 F CA 1.775 59.748 58.000 -0.044 0.000 1.307 174 F CB 0.023 39.003 39.000 -0.034 0.000 1.019 174 F HN 0.495 nan 8.300 nan 0.000 0.489 175 I N -4.628 115.984 120.570 0.070 0.000 2.994 175 I HA 0.531 4.718 4.170 0.028 0.000 0.306 175 I C -2.984 173.120 176.117 -0.020 0.000 1.195 175 I CA -2.780 58.483 61.300 -0.061 0.000 1.001 175 I CB 1.655 39.594 38.000 -0.100 0.000 1.244 175 I HN -0.405 nan 8.210 nan 0.000 0.437 176 P HA 0.129 nan 4.420 nan 0.000 0.271 176 P C -0.263 177.112 177.300 0.126 0.000 1.218 176 P CA 0.072 63.197 63.100 0.043 0.000 0.780 176 P CB 0.735 32.466 31.700 0.051 0.000 0.901 177 D N 1.437 121.895 120.400 0.095 0.000 2.144 177 D HA -0.196 4.461 4.640 0.028 0.000 0.199 177 D C 0.909 177.280 176.300 0.118 0.000 0.984 177 D CA 1.437 55.495 54.000 0.098 0.000 0.834 177 D CB 0.128 40.963 40.800 0.058 0.000 0.955 177 D HN 0.364 nan 8.370 nan 0.000 0.465 178 E N -0.616 119.659 120.200 0.125 0.000 2.481 178 E HA 0.063 4.430 4.350 0.028 0.000 0.195 178 E C 0.049 176.744 176.600 0.160 0.000 1.047 178 E CA -0.173 56.297 56.400 0.116 0.000 0.867 178 E CB -0.409 29.347 29.700 0.093 0.000 0.858 178 E HN 0.333 nan 8.360 nan 0.000 0.513 179 F N 4.311 124.290 119.950 0.048 0.000 2.541 179 F HA 0.159 4.702 4.527 0.028 0.000 0.378 179 F C -2.048 173.774 175.800 0.036 0.000 1.068 179 F CA -3.055 54.968 58.000 0.040 0.000 1.199 179 F CB 0.599 39.612 39.000 0.021 0.000 1.091 179 F HN -0.115 nan 8.300 nan 0.000 0.555 180 P HA 0.099 nan 4.420 nan 0.000 0.282 180 P C -1.049 175.876 177.300 -0.626 0.000 1.274 180 P CA -0.040 62.808 63.100 -0.420 0.000 0.770 180 P CB 1.484 33.003 31.700 -0.302 0.000 0.867 181 V N 6.018 125.576 119.914 -0.593 0.000 2.462 181 V HA 0.197 4.334 4.120 0.028 0.000 0.257 181 V C -1.973 173.769 176.094 -0.587 0.000 0.944 181 V CA -1.679 60.352 62.300 -0.448 0.000 0.903 181 V CB 1.203 32.950 31.823 -0.128 0.000 1.128 181 V HN 0.535 nan 8.190 nan 0.000 0.486 182 P HA 0.304 nan 4.420 nan 0.000 0.271 182 P C -0.867 176.265 177.300 -0.282 0.000 1.218 182 P CA 0.213 62.859 63.100 -0.756 0.000 0.780 182 P CB 0.984 32.156 31.700 -0.880 0.000 0.901 183 F N -0.468 119.304 119.950 -0.296 0.000 2.613 183 F HA 0.864 5.407 4.527 0.028 0.000 0.314 183 F C -1.611 174.057 175.800 -0.219 0.000 1.075 183 F CA -1.629 56.223 58.000 -0.246 0.000 0.945 183 F CB 1.319 40.172 39.000 -0.246 0.000 1.310 183 F HN 0.498 nan 8.300 nan 0.000 0.467 184 A N 1.108 123.882 122.820 -0.077 0.000 2.488 184 A HA 0.507 4.844 4.320 0.028 0.000 0.295 184 A C -1.811 175.749 177.584 -0.039 0.000 1.045 184 A CA -0.662 51.307 52.037 -0.112 0.000 0.703 184 A CB 0.755 19.678 19.000 -0.128 0.000 1.271 184 A HN 0.911 nan 8.150 nan 0.000 0.400 185 H N 2.148 121.259 119.070 0.068 0.000 2.767 185 H HA 0.327 4.900 4.556 0.028 0.000 0.316 185 H C 0.179 175.508 175.328 0.002 0.000 1.059 185 H CA 1.355 57.436 56.048 0.055 0.000 1.461 185 H CB 1.054 30.844 29.762 0.046 0.000 1.475 185 H HN 0.668 nan 8.280 nan 0.000 0.531 186 T N 1.829 116.427 114.554 0.073 0.000 3.390 186 T HA 0.223 4.590 4.350 0.028 0.000 0.351 186 T C -2.816 171.834 174.700 -0.083 0.000 1.759 186 T CA -1.969 60.132 62.100 0.002 0.000 1.561 186 T CB 0.706 69.575 68.868 0.000 0.000 1.011 186 T HN 0.304 nan 8.240 nan 0.000 0.689 187 P HA 0.133 nan 4.420 nan 0.000 0.271 187 P C 1.195 178.192 177.300 -0.505 0.000 1.220 187 P CA -0.120 62.659 63.100 -0.534 0.000 0.768 187 P CB 1.380 32.573 31.700 -0.844 0.000 0.848 188 S N 2.986 118.429 115.700 -0.428 0.000 2.447 188 S HA -0.159 4.328 4.470 0.028 0.000 0.233 188 S C 1.300 175.832 174.600 -0.112 0.000 1.006 188 S CA 0.572 58.668 58.200 -0.173 0.000 0.957 188 S CB -1.269 61.922 63.200 -0.015 0.000 0.773 188 S HN 0.476 nan 8.310 nan 0.000 0.507 189 F N 1.230 121.199 119.950 0.032 0.000 2.769 189 F HA 0.635 5.178 4.527 0.028 0.000 0.304 189 F C -0.114 175.694 175.800 0.014 0.000 1.158 189 F CA -1.091 56.920 58.000 0.017 0.000 1.398 189 F CB -0.651 38.360 39.000 0.018 0.000 1.094 189 F HN -0.061 nan 8.300 nan 0.000 0.553 190 V N 0.598 120.517 119.914 0.009 0.000 2.577 190 V HA 0.759 4.896 4.120 0.028 0.000 0.303 190 V C 0.674 176.761 176.094 -0.012 0.000 1.042 190 V CA -0.660 61.661 62.300 0.037 0.000 0.872 190 V CB 0.705 32.535 31.823 0.012 0.000 0.998 190 V HN 0.615 nan 8.190 nan 0.000 0.423 191 G N 4.847 113.646 108.800 -0.001 0.000 2.611 191 G HA2 -0.133 3.844 3.960 0.028 0.000 0.301 191 G HA3 -0.133 3.844 3.960 0.028 0.000 0.301 191 G C 0.231 175.089 174.900 -0.070 0.000 1.233 191 G CA 0.961 46.041 45.100 -0.034 0.000 0.993 191 G HN 1.983 nan 8.290 nan 0.000 0.553 192 S N -2.661 112.978 115.700 -0.102 0.000 2.873 192 S HA 0.590 5.077 4.470 0.028 0.000 0.303 192 S C 1.077 175.593 174.600 -0.139 0.000 1.222 192 S CA 0.740 58.874 58.200 -0.110 0.000 0.923 192 S CB 0.667 63.772 63.200 -0.159 0.000 1.286 192 S HN 1.843 nan 8.310 nan 0.000 0.571 193 H N 0.971 119.936 119.070 -0.174 0.000 2.421 193 H HA -0.027 4.546 4.556 0.028 0.000 0.298 193 H C 2.132 177.339 175.328 -0.201 0.000 1.087 193 H CA 2.115 58.056 56.048 -0.178 0.000 1.330 193 H CB -1.189 28.416 29.762 -0.262 0.000 1.388 193 H HN 0.577 nan 8.280 nan 0.000 0.526 194 V N -0.054 119.233 119.914 -1.044 0.000 2.515 194 V HA -0.151 3.986 4.120 0.028 0.000 0.250 194 V C 2.232 178.233 176.094 -0.154 0.000 1.058 194 V CA 1.837 63.689 62.300 -0.747 0.000 1.064 194 V CB -1.193 29.985 31.823 -1.075 0.000 0.675 194 V HN 0.366 nan 8.190 nan 0.000 0.461 195 T N 1.406 115.887 114.554 -0.121 0.000 2.777 195 T HA 0.009 4.376 4.350 0.028 0.000 0.266 195 T C 1.978 176.742 174.700 0.106 0.000 1.040 195 T CA 1.649 63.769 62.100 0.034 0.000 1.141 195 T CB -0.887 67.977 68.868 -0.006 0.000 0.868 195 T HN 0.683 nan 8.240 nan 0.000 0.444 196 G N -0.340 108.508 108.800 0.080 0.000 2.448 196 G HA2 -0.211 3.766 3.960 0.028 0.000 0.219 196 G HA3 -0.211 3.766 3.960 0.028 0.000 0.219 196 G C 1.321 176.346 174.900 0.207 0.000 1.127 196 G CA 0.339 45.503 45.100 0.107 0.000 0.766 196 G HN 0.588 nan 8.290 nan 0.000 0.552 197 W N 0.859 122.251 121.300 0.152 0.000 2.381 197 W HA -0.026 4.651 4.660 0.028 0.000 0.301 197 W C 2.188 178.852 176.519 0.242 0.000 1.205 197 W CA 1.195 58.688 57.345 0.246 0.000 1.285 197 W CB 0.153 29.824 29.460 0.351 0.000 1.133 197 W HN 0.237 nan 8.180 nan 0.000 0.521 198 D N -0.078 120.694 120.400 0.619 0.000 2.117 198 D HA -0.227 4.429 4.640 0.028 0.000 0.197 198 D C 1.772 178.237 176.300 0.275 0.000 0.987 198 D CA 1.586 55.870 54.000 0.473 0.000 0.829 198 D CB -0.460 40.533 40.800 0.322 0.000 0.961 198 D HN 0.011 nan 8.370 nan 0.000 0.460 199 N N -0.282 118.520 118.700 0.169 0.000 2.120 199 N HA -0.143 4.614 4.740 0.028 0.000 0.188 199 N C 1.694 177.196 175.510 -0.014 0.000 1.024 199 N CA 0.814 53.901 53.050 0.062 0.000 0.852 199 N CB -0.393 38.120 38.487 0.044 0.000 1.003 199 N HN 0.263 nan 8.380 nan 0.000 0.424 200 M N -0.184 119.399 119.600 -0.028 0.000 2.132 200 M HA -0.029 4.468 4.480 0.028 0.000 0.263 200 M C 1.792 177.974 176.300 -0.197 0.000 1.065 200 M CA 1.163 56.377 55.300 -0.143 0.000 1.122 200 M CB -0.591 31.899 32.600 -0.185 0.000 1.365 200 M HN 0.101 nan 8.290 nan 0.000 0.411 201 F N 0.541 120.331 119.950 -0.267 0.000 2.134 201 F HA -0.186 4.358 4.527 0.028 0.000 0.299 201 F C 2.334 178.062 175.800 -0.120 0.000 1.097 201 F CA 1.982 59.869 58.000 -0.189 0.000 1.264 201 F CB -0.369 38.611 39.000 -0.033 0.000 1.001 201 F HN 0.243 nan 8.300 nan 0.000 0.479 202 E N 0.185 120.371 120.200 -0.023 0.000 2.106 202 E HA -0.138 4.228 4.350 0.028 0.000 0.192 202 E C 2.437 178.755 176.600 -0.471 0.000 0.984 202 E CA 1.097 57.358 56.400 -0.232 0.000 0.806 202 E CB -0.656 28.976 29.700 -0.114 0.000 0.750 202 E HN 0.516 nan 8.360 nan 0.000 0.458 203 G N 1.284 109.851 108.800 -0.389 0.000 2.418 203 G HA2 -0.219 3.758 3.960 0.028 0.000 0.217 203 G HA3 -0.219 3.758 3.960 0.028 0.000 0.217 203 G C 1.728 176.347 174.900 -0.468 0.000 1.158 203 G CA 0.731 45.548 45.100 -0.473 0.000 0.771 203 G HN 0.225 nan 8.290 nan 0.000 0.545 204 I N 1.287 121.571 120.570 -0.476 0.000 2.202 204 I HA -0.119 4.067 4.170 0.028 0.000 0.242 204 I C 3.282 179.268 176.117 -0.218 0.000 1.091 204 I CA 0.942 61.980 61.300 -0.437 0.000 1.368 204 I CB -0.211 37.382 38.000 -0.680 0.000 1.058 204 I HN 0.235 nan 8.210 nan 0.000 0.410 205 A N 0.826 123.429 122.820 -0.361 0.000 1.902 205 A HA -0.239 4.098 4.320 0.028 0.000 0.217 205 A C 2.458 179.993 177.584 -0.082 0.000 1.181 205 A CA 1.720 53.699 52.037 -0.097 0.000 0.623 205 A CB -0.656 18.227 19.000 -0.195 0.000 0.818 205 A HN 0.359 nan 8.150 nan 0.000 0.443 206 R N -2.045 118.104 120.500 -0.585 0.000 2.096 206 R HA -0.193 4.164 4.340 0.028 0.000 0.235 206 R C 2.032 178.224 176.300 -0.181 0.000 1.127 206 R CA 1.899 57.638 56.100 -0.602 0.000 0.968 206 R CB -0.474 29.378 30.300 -0.747 0.000 0.861 206 R HN 0.627 nan 8.270 nan 0.000 0.440 207 Y N -0.121 119.969 120.300 -0.350 0.000 2.200 207 Y HA -0.170 4.397 4.550 0.028 0.000 0.290 207 Y C 1.395 177.083 175.900 -0.353 0.000 1.137 207 Y CA 1.744 59.605 58.100 -0.399 0.000 1.163 207 Y CB -0.145 37.959 38.460 -0.593 0.000 0.988 207 Y HN 0.003 nan 8.280 nan 0.000 0.518 208 F N -0.637 119.380 119.950 0.113 0.000 2.710 208 F HA 0.004 4.548 4.527 0.028 0.000 0.298 208 F C 2.028 177.864 175.800 0.061 0.000 1.137 208 F CA 1.316 59.361 58.000 0.075 0.000 1.444 208 F CB -0.165 38.894 39.000 0.099 0.000 1.111 208 F HN 0.175 nan 8.300 nan 0.000 0.580 209 T N -4.356 110.374 114.554 0.294 0.000 3.087 209 T HA 0.121 4.487 4.350 0.028 0.000 0.283 209 T C 1.479 176.347 174.700 0.280 0.000 0.956 209 T CA 0.025 62.305 62.100 0.301 0.000 0.894 209 T CB -0.481 68.681 68.868 0.489 0.000 1.160 209 T HN 0.097 nan 8.240 nan 0.000 0.532 210 L N 1.692 123.046 121.223 0.219 0.000 2.056 210 L HA 0.195 4.552 4.340 0.028 0.000 0.207 210 L C 2.286 179.201 176.870 0.075 0.000 1.078 210 L CA 1.701 56.647 54.840 0.177 0.000 0.749 210 L CB -0.337 41.782 42.059 0.100 0.000 0.901 210 L HN 0.004 nan 8.230 nan 0.000 0.433 211 K N -0.134 120.270 120.400 0.007 0.000 2.001 211 K HA 0.016 4.352 4.320 0.028 0.000 0.208 211 K C 1.524 178.128 176.600 0.005 0.000 1.048 211 K CA 1.376 57.655 56.287 -0.013 0.000 0.932 211 K CB -0.822 31.643 32.500 -0.059 0.000 0.715 211 K HN 0.532 nan 8.250 nan 0.000 0.437 212 S N 1.104 116.811 115.700 0.011 0.000 3.149 212 S HA 0.182 4.668 4.470 0.028 0.000 0.228 212 S C 1.037 175.646 174.600 0.015 0.000 1.393 212 S CA -0.290 57.917 58.200 0.011 0.000 1.224 212 S CB -0.011 63.191 63.200 0.004 0.000 1.112 212 S HN 0.009 nan 8.310 nan 0.000 0.502 213 M N 1.143 120.758 119.600 0.025 0.000 2.556 213 M HA 0.113 4.610 4.480 0.028 0.000 0.245 213 M C 0.781 177.083 176.300 0.004 0.000 1.128 213 M CA 0.248 55.560 55.300 0.019 0.000 1.069 213 M CB -0.951 31.672 32.600 0.038 0.000 1.469 213 M HN 0.344 nan 8.290 nan 0.000 0.494 214 D N 1.618 122.019 120.400 0.003 0.000 2.123 214 D HA -0.161 4.496 4.640 0.028 0.000 0.196 214 D C 1.188 177.484 176.300 -0.006 0.000 0.992 214 D CA 1.518 55.518 54.000 -0.001 0.000 0.833 214 D CB -0.125 40.675 40.800 -0.001 0.000 0.954 214 D HN 0.477 nan 8.370 nan 0.000 0.455 215 D N -0.243 120.151 120.400 -0.010 0.000 2.339 215 D HA -0.044 4.613 4.640 0.028 0.000 0.217 215 D C 0.171 176.458 176.300 -0.022 0.000 1.050 215 D CA 0.032 54.023 54.000 -0.014 0.000 0.856 215 D CB 0.066 40.858 40.800 -0.014 0.000 0.922 215 D HN -0.084 nan 8.370 nan 0.000 0.518 216 K N 0.708 121.091 120.400 -0.029 0.000 2.218 216 K HA 0.436 4.772 4.320 0.028 0.000 0.276 216 K C -0.309 176.275 176.600 -0.027 0.000 1.022 216 K CA -0.739 55.522 56.287 -0.044 0.000 0.946 216 K CB 2.428 34.883 32.500 -0.075 0.000 1.000 216 K HN -0.090 nan 8.250 nan 0.000 0.468 217 V N 2.664 122.563 119.914 -0.024 0.000 2.588 217 V HA 0.186 4.322 4.120 0.028 0.000 0.304 217 V C -0.115 175.981 176.094 0.004 0.000 1.042 217 V CA -1.145 61.150 62.300 -0.007 0.000 0.877 217 V CB 2.212 34.029 31.823 -0.009 0.000 0.996 217 V HN 0.432 nan 8.190 nan 0.000 0.425 218 V N 4.408 124.340 119.914 0.031 0.000 2.572 218 V HA 0.458 4.595 4.120 0.028 0.000 0.291 218 V C 1.419 177.519 176.094 0.011 0.000 1.039 218 V CA 1.566 63.903 62.300 0.061 0.000 1.055 218 V CB 0.558 32.445 31.823 0.106 0.000 0.969 218 V HN 1.335 nan 8.190 nan 0.000 0.482 219 G N 4.022 112.814 108.800 -0.013 0.000 2.179 219 G HA2 -0.315 3.662 3.960 0.028 0.000 0.260 219 G HA3 -0.315 3.662 3.960 0.028 0.000 0.260 219 G C 1.111 175.994 174.900 -0.028 0.000 0.977 219 G CA 0.976 46.053 45.100 -0.038 0.000 0.641 219 G HN 1.093 nan 8.290 nan 0.000 0.533 220 S N 1.069 116.756 115.700 -0.022 0.000 2.383 220 S HA -0.136 4.351 4.470 0.028 0.000 0.227 220 S C 1.915 176.497 174.600 -0.029 0.000 1.026 220 S CA 1.722 59.907 58.200 -0.024 0.000 0.981 220 S CB -0.392 62.794 63.200 -0.024 0.000 0.818 220 S HN 1.108 nan 8.310 nan 0.000 0.472 221 N N 1.120 119.799 118.700 -0.034 0.000 2.398 221 N HA 0.039 4.796 4.740 0.028 0.000 0.188 221 N C 0.099 175.589 175.510 -0.034 0.000 1.122 221 N CA 0.287 53.315 53.050 -0.037 0.000 0.866 221 N CB -0.706 37.755 38.487 -0.044 0.000 0.970 221 N HN 0.521 nan 8.380 nan 0.000 0.462 222 K N -0.970 119.411 120.400 -0.032 0.000 3.069 222 K HA -0.208 4.129 4.320 0.028 0.000 0.267 222 K C -0.895 175.692 176.600 -0.022 0.000 1.082 222 K CA 0.808 57.078 56.287 -0.029 0.000 0.782 222 K CB -1.323 31.162 32.500 -0.025 0.000 1.230 222 K HN 0.456 nan 8.250 nan 0.000 0.488 223 K N 0.187 120.575 120.400 -0.020 0.000 2.395 223 K HA 0.560 4.897 4.320 0.028 0.000 0.247 223 K C -0.288 176.323 176.600 0.018 0.000 0.973 223 K CA -0.924 55.366 56.287 0.004 0.000 0.828 223 K CB 1.840 34.337 32.500 -0.005 0.000 1.272 223 K HN -0.015 nan 8.250 nan 0.000 0.439 224 I N 2.415 123.025 120.570 0.067 0.000 2.339 224 I HA 0.179 4.366 4.170 0.028 0.000 0.290 224 I C -0.402 175.802 176.117 0.145 0.000 0.994 224 I CA -0.909 60.432 61.300 0.069 0.000 1.191 224 I CB 1.258 39.286 38.000 0.047 0.000 1.343 224 I HN 0.397 nan 8.210 nan 0.000 0.458 225 N N 7.132 125.931 118.700 0.165 0.000 2.497 225 N HA 0.355 5.111 4.740 0.028 0.000 0.271 225 N C -0.655 174.993 175.510 0.230 0.000 1.142 225 N CA -0.077 53.121 53.050 0.246 0.000 0.965 225 N CB 1.553 40.260 38.487 0.365 0.000 1.077 225 N HN 0.344 nan 8.380 nan 0.000 0.462 226 I N 2.503 123.212 120.570 0.232 0.000 2.418 226 I HA 0.274 4.461 4.170 0.028 0.000 0.287 226 I C -0.355 175.857 176.117 0.159 0.000 1.008 226 I CA -0.716 60.688 61.300 0.174 0.000 1.104 226 I CB 1.547 39.635 38.000 0.146 0.000 1.264 226 I HN 0.019 nan 8.210 nan 0.000 0.438 227 V N 9.127 129.080 119.914 0.064 0.000 2.357 227 V HA 0.317 4.454 4.120 0.028 0.000 0.284 227 V C -1.374 174.619 176.094 -0.168 0.000 1.018 227 V CA -1.020 61.247 62.300 -0.055 0.000 0.841 227 V CB 1.865 33.536 31.823 -0.253 0.000 0.991 227 V HN 0.565 nan 8.190 nan 0.000 0.437 228 P HA 0.128 nan 4.420 nan 0.000 0.219 228 P C 0.722 177.702 177.300 -0.533 0.000 1.154 228 P CA 1.518 64.450 63.100 -0.279 0.000 0.826 228 P CB 0.645 32.274 31.700 -0.119 0.000 0.795 229 G N 0.297 108.472 108.800 -1.042 0.000 2.685 229 G HA2 -0.221 3.756 3.960 0.028 0.000 0.387 229 G HA3 -0.221 3.756 3.960 0.028 0.000 0.387 229 G C -1.064 173.066 174.900 -1.282 0.000 1.324 229 G CA -0.533 43.780 45.100 -1.312 0.000 0.878 229 G HN 0.260 nan 8.290 nan 0.000 0.527 230 F N 1.646 121.106 119.950 -0.817 0.000 2.519 230 F HA 0.553 5.096 4.527 0.028 0.000 0.375 230 F C 0.450 176.110 175.800 -0.234 0.000 1.084 230 F CA 0.500 58.189 58.000 -0.518 0.000 1.147 230 F CB 0.773 39.578 39.000 -0.326 0.000 1.088 230 F HN 0.675 nan 8.300 nan 0.000 0.555 231 E N 3.197 123.217 120.200 -0.300 0.000 2.256 231 E HA 0.312 4.679 4.350 0.028 0.000 0.268 231 E C -0.178 176.385 176.600 -0.062 0.000 0.877 231 E CA -0.429 55.873 56.400 -0.164 0.000 0.757 231 E CB 1.488 30.934 29.700 -0.424 0.000 1.183 231 E HN 0.495 nan 8.360 nan 0.000 0.418 232 T N 0.690 115.203 114.554 -0.068 0.000 3.132 232 T HA 0.270 4.636 4.350 0.028 0.000 0.274 232 T C -0.275 174.481 174.700 0.093 0.000 1.011 232 T CA -0.128 61.969 62.100 -0.006 0.000 0.899 232 T CB -0.274 68.319 68.868 -0.459 0.000 1.089 232 T HN 0.261 nan 8.240 nan 0.000 0.543 233 Y N 1.581 122.049 120.300 0.280 0.000 2.369 233 Y HA 0.525 5.092 4.550 0.027 0.000 0.337 233 Y C 1.253 177.353 175.900 0.333 0.000 0.961 233 Y CA -1.931 56.328 58.100 0.265 0.000 1.186 233 Y CB 1.067 39.604 38.460 0.129 0.000 1.139 233 Y HN -0.011 nan 8.280 nan 0.000 0.494 234 L N 2.151 123.695 121.223 0.535 0.000 2.079 234 L HA -0.177 4.180 4.340 0.028 0.000 0.210 234 L C 2.299 179.386 176.870 0.361 0.000 1.081 234 L CA 1.620 56.739 54.840 0.465 0.000 0.752 234 L CB -0.530 41.731 42.059 0.337 0.000 0.896 234 L HN 0.925 nan 8.230 nan 0.000 0.433 235 G N -0.328 108.628 108.800 0.260 0.000 2.479 235 G HA2 -0.255 3.722 3.960 0.028 0.000 0.220 235 G HA3 -0.255 3.722 3.960 0.028 0.000 0.220 235 G C 1.383 176.342 174.900 0.099 0.000 1.115 235 G CA 0.574 45.760 45.100 0.144 0.000 0.757 235 G HN 0.328 nan 8.290 nan 0.000 0.560 236 N N 0.357 119.115 118.700 0.096 0.000 2.188 236 N HA -0.041 4.715 4.740 0.028 0.000 0.184 236 N C 1.801 177.230 175.510 -0.135 0.000 1.018 236 N CA 0.689 53.691 53.050 -0.080 0.000 0.858 236 N CB -0.413 37.975 38.487 -0.166 0.000 0.989 236 N HN 0.366 nan 8.380 nan 0.000 0.426 237 F N 1.422 121.378 119.950 0.010 0.000 2.146 237 F HA 0.000 4.544 4.527 0.028 0.000 0.298 237 F C 2.408 178.194 175.800 -0.024 0.000 1.096 237 F CA 0.901 58.894 58.000 -0.012 0.000 1.275 237 F CB -0.170 38.836 39.000 0.009 0.000 1.008 237 F HN -0.063 nan 8.300 nan 0.000 0.480 238 R N -0.348 120.268 120.500 0.193 0.000 2.081 238 R HA -0.119 4.238 4.340 0.028 0.000 0.235 238 R C 2.287 178.603 176.300 0.027 0.000 1.131 238 R CA 1.314 57.474 56.100 0.100 0.000 0.960 238 R CB -0.952 29.404 30.300 0.095 0.000 0.856 238 R HN 0.226 nan 8.270 nan 0.000 0.436 239 V N 1.203 121.112 119.914 -0.009 0.000 2.427 239 V HA -0.174 3.963 4.120 0.028 0.000 0.248 239 V C 1.953 177.991 176.094 -0.094 0.000 1.051 239 V CA 1.484 63.752 62.300 -0.053 0.000 1.048 239 V CB -0.199 31.575 31.823 -0.081 0.000 0.666 239 V HN 0.242 nan 8.190 nan 0.000 0.456 240 I N -0.013 120.478 120.570 -0.131 0.000 2.315 240 I HA -0.169 4.018 4.170 0.028 0.000 0.248 240 I C 2.506 178.507 176.117 -0.194 0.000 1.117 240 I CA 1.635 62.832 61.300 -0.172 0.000 1.404 240 I CB -1.160 36.714 38.000 -0.210 0.000 1.071 240 I HN 0.382 nan 8.210 nan 0.000 0.419 241 K N 0.044 120.333 120.400 -0.185 0.000 2.057 241 K HA -0.166 4.171 4.320 0.028 0.000 0.206 241 K C 2.263 178.776 176.600 -0.144 0.000 1.050 241 K CA 0.777 56.894 56.287 -0.283 0.000 0.935 241 K CB -0.142 32.331 32.500 -0.046 0.000 0.715 241 K HN 0.145 nan 8.250 nan 0.000 0.439 242 R N 1.294 121.764 120.500 -0.050 0.000 2.075 242 R HA -0.034 4.322 4.340 0.028 0.000 0.232 242 R C 2.062 178.359 176.300 -0.005 0.000 1.126 242 R CA 1.423 57.522 56.100 -0.002 0.000 0.963 242 R CB -0.200 30.105 30.300 0.010 0.000 0.858 242 R HN 0.226 nan 8.270 nan 0.000 0.435 243 M N 0.366 119.951 119.600 -0.026 0.000 2.175 243 M HA -0.123 4.374 4.480 0.028 0.000 0.264 243 M C 2.301 178.609 176.300 0.013 0.000 1.063 243 M CA 1.315 56.621 55.300 0.010 0.000 1.119 243 M CB -0.155 32.457 32.600 0.020 0.000 1.377 243 M HN 0.087 nan 8.290 nan 0.000 0.415 244 L N -0.955 120.240 121.223 -0.046 0.000 2.056 244 L HA -0.171 4.186 4.340 0.028 0.000 0.207 244 L C 2.566 179.479 176.870 0.072 0.000 1.078 244 L CA 1.017 55.838 54.840 -0.032 0.000 0.749 244 L CB -0.670 41.243 42.059 -0.243 0.000 0.901 244 L HN 0.216 nan 8.230 nan 0.000 0.433 245 S N -0.644 115.114 115.700 0.098 0.000 2.383 245 S HA -0.222 4.265 4.470 0.028 0.000 0.227 245 S C 1.886 176.542 174.600 0.093 0.000 1.026 245 S CA 1.281 59.579 58.200 0.163 0.000 0.981 245 S CB -0.153 63.152 63.200 0.175 0.000 0.818 245 S HN 0.408 nan 8.310 nan 0.000 0.472 246 E N 0.845 121.084 120.200 0.065 0.000 2.110 246 E HA -0.091 4.276 4.350 0.028 0.000 0.193 246 E C 1.700 178.330 176.600 0.050 0.000 0.988 246 E CA 1.018 57.450 56.400 0.053 0.000 0.804 246 E CB -0.081 29.649 29.700 0.049 0.000 0.745 246 E HN 0.475 nan 8.360 nan 0.000 0.458 247 M N -1.049 118.581 119.600 0.051 0.000 2.595 247 M HA 0.129 4.626 4.480 0.028 0.000 0.248 247 M C 1.071 177.396 176.300 0.042 0.000 1.119 247 M CA 0.736 56.061 55.300 0.041 0.000 1.079 247 M CB 0.848 33.467 32.600 0.032 0.000 1.472 247 M HN 0.319 nan 8.290 nan 0.000 0.501 248 G N 1.222 110.057 108.800 0.058 0.000 2.160 248 G HA2 -0.190 3.786 3.960 0.028 0.000 0.244 248 G HA3 -0.190 3.786 3.960 0.028 0.000 0.244 248 G C -0.125 174.813 174.900 0.065 0.000 1.022 248 G CA -0.264 44.871 45.100 0.058 0.000 0.741 248 G HN 0.315 nan 8.290 nan 0.000 0.508 249 V N 0.630 120.600 119.914 0.094 0.000 2.498 249 V HA 0.646 4.783 4.120 0.028 0.000 0.279 249 V C 1.361 177.557 176.094 0.170 0.000 1.048 249 V CA 0.088 62.449 62.300 0.101 0.000 0.967 249 V CB 1.487 33.360 31.823 0.084 0.000 0.988 249 V HN 0.733 nan 8.190 nan 0.000 0.473 250 G N 4.439 113.295 108.800 0.094 0.000 2.403 250 G HA2 0.484 4.460 3.960 0.028 0.000 0.259 250 G HA3 0.484 4.460 3.960 0.028 0.000 0.259 250 G C -0.929 174.047 174.900 0.127 0.000 1.244 250 G CA -0.035 45.092 45.100 0.045 0.000 0.849 250 G HN 0.914 nan 8.290 nan 0.000 0.532 251 Y N -0.801 119.509 120.300 0.017 0.000 2.625 251 Y HA 0.776 5.343 4.550 0.028 0.000 0.338 251 Y C -0.583 175.340 175.900 0.039 0.000 1.123 251 Y CA -1.588 56.532 58.100 0.032 0.000 1.046 251 Y CB 1.623 40.112 38.460 0.048 0.000 1.299 251 Y HN 0.543 nan 8.280 nan 0.000 0.464 252 S N 2.412 118.265 115.700 0.255 0.000 2.733 252 S HA 0.538 5.025 4.470 0.028 0.000 0.294 252 S C -2.060 172.715 174.600 0.292 0.000 1.149 252 S CA -0.568 57.733 58.200 0.169 0.000 1.034 252 S CB 0.786 64.037 63.200 0.085 0.000 1.015 252 S HN 0.806 nan 8.310 nan 0.000 0.486 253 L N 6.821 128.227 121.223 0.303 0.000 2.260 253 L HA 0.588 4.945 4.340 0.028 0.000 0.289 253 L C -1.191 175.792 176.870 0.188 0.000 1.057 253 L CA -0.171 54.825 54.840 0.260 0.000 0.811 253 L CB 0.546 42.762 42.059 0.261 0.000 1.184 253 L HN 0.651 nan 8.230 nan 0.000 0.429 254 L N 5.455 126.836 121.223 0.263 0.000 2.255 254 L HA 0.500 4.856 4.340 0.028 0.000 0.289 254 L C 0.420 177.448 176.870 0.264 0.000 1.046 254 L CA -0.624 54.394 54.840 0.297 0.000 0.816 254 L CB 0.864 43.307 42.059 0.639 0.000 1.197 254 L HN 0.866 nan 8.230 nan 0.000 0.427 255 S N 2.361 117.872 115.700 -0.315 0.000 3.828 255 S HA -0.144 4.342 4.470 0.028 0.000 0.722 255 S C -0.802 173.748 174.600 -0.083 0.000 0.508 255 S CA -0.315 57.620 58.200 -0.442 0.000 1.434 255 S CB -0.525 62.863 63.200 0.313 0.000 0.825 255 S HN 0.873 nan 8.310 nan 0.000 1.023 256 D N 5.165 125.405 120.400 -0.266 0.000 2.438 256 D HA 0.468 5.125 4.640 0.028 0.000 0.257 256 D C -1.037 175.025 176.300 -0.396 0.000 1.148 256 D CA -1.900 51.946 54.000 -0.257 0.000 0.902 256 D CB 1.345 42.068 40.800 -0.128 0.000 1.062 256 D HN 0.314 nan 8.370 nan 0.000 0.518 257 P HA -0.028 nan 4.420 nan 0.000 0.245 257 P C 1.028 178.017 177.300 -0.519 0.000 1.206 257 P CA 0.309 63.097 63.100 -0.520 0.000 0.781 257 P CB 0.411 31.809 31.700 -0.503 0.000 0.994 258 E N 1.211 121.043 120.200 -0.614 0.000 2.136 258 E HA -0.253 4.114 4.350 0.028 0.000 0.202 258 E C 1.723 178.217 176.600 -0.176 0.000 1.019 258 E CA 1.469 57.673 56.400 -0.327 0.000 0.819 258 E CB -0.702 28.888 29.700 -0.183 0.000 0.739 258 E HN 0.106 nan 8.360 nan 0.000 0.458 259 E N 0.357 120.464 120.200 -0.154 0.000 2.046 259 E HA -0.100 4.266 4.350 0.028 0.000 0.190 259 E C 2.310 178.855 176.600 -0.092 0.000 0.982 259 E CA 1.173 57.519 56.400 -0.090 0.000 0.800 259 E CB -0.406 29.255 29.700 -0.066 0.000 0.756 259 E HN 0.290 nan 8.360 nan 0.000 0.449 260 V N 1.151 120.992 119.914 -0.123 0.000 2.913 260 V HA -0.123 4.014 4.120 0.028 0.000 0.260 260 V C 1.908 177.916 176.094 -0.143 0.000 1.098 260 V CA 0.940 63.176 62.300 -0.107 0.000 1.121 260 V CB -0.199 31.570 31.823 -0.090 0.000 0.714 260 V HN 0.165 nan 8.190 nan 0.000 0.487 261 L N -0.436 120.656 121.223 -0.218 0.000 2.592 261 L HA 0.276 4.633 4.340 0.028 0.000 0.227 261 L C 0.660 177.474 176.870 -0.093 0.000 1.127 261 L CA 0.477 55.145 54.840 -0.287 0.000 0.884 261 L CB 0.146 41.850 42.059 -0.593 0.000 1.065 261 L HN 0.269 nan 8.230 nan 0.000 0.457 262 D N 0.227 120.608 120.400 -0.031 0.000 2.997 262 D HA 0.062 4.719 4.640 0.028 0.000 0.362 262 D C 0.210 176.531 176.300 0.035 0.000 1.298 262 D CA -0.119 53.910 54.000 0.049 0.000 0.756 262 D CB 0.444 41.283 40.800 0.066 0.000 1.216 262 D HN 0.000 nan 8.370 nan 0.000 0.496 263 T N -0.522 114.051 114.554 0.033 0.000 2.910 263 T HA 0.588 4.955 4.350 0.028 0.000 0.293 263 T C -1.981 172.750 174.700 0.052 0.000 1.015 263 T CA -1.234 60.885 62.100 0.032 0.000 1.094 263 T CB 1.345 70.229 68.868 0.028 0.000 0.968 263 T HN 0.025 nan 8.240 nan 0.000 0.521 264 P HA 0.375 nan 4.420 nan 0.000 0.275 264 P C -0.923 176.412 177.300 0.057 0.000 1.228 264 P CA -0.658 62.469 63.100 0.044 0.000 0.786 264 P CB 0.596 32.314 31.700 0.031 0.000 0.927 265 A N 2.461 125.316 122.820 0.057 0.000 2.798 265 A HA 0.273 4.610 4.320 0.028 0.000 0.316 265 A C 0.521 178.135 177.584 0.050 0.000 1.506 265 A CA -0.387 51.688 52.037 0.063 0.000 1.162 265 A CB -0.677 18.360 19.000 0.061 0.000 1.138 265 A HN 0.598 nan 8.150 nan 0.000 0.532 266 D N 1.178 121.607 120.400 0.049 0.000 2.535 266 D HA 0.283 4.940 4.640 0.028 0.000 0.229 266 D C 0.865 177.189 176.300 0.040 0.000 1.238 266 D CA 0.523 54.546 54.000 0.039 0.000 0.824 266 D CB -0.046 40.773 40.800 0.031 0.000 1.045 266 D HN 0.986 nan 8.370 nan 0.000 0.500 267 G N 0.953 109.783 108.800 0.050 0.000 2.201 267 G HA2 -0.211 3.766 3.960 0.028 0.000 0.212 267 G HA3 -0.211 3.766 3.960 0.028 0.000 0.212 267 G C -0.054 174.884 174.900 0.064 0.000 0.994 267 G CA 0.144 45.274 45.100 0.050 0.000 0.644 267 G HN 0.694 nan 8.290 nan 0.000 0.508 268 Q N -0.836 119.009 119.800 0.074 0.000 2.389 268 Q HA 0.733 5.090 4.340 0.028 0.000 0.277 268 Q C -1.152 174.933 176.000 0.143 0.000 1.082 268 Q CA -1.369 54.489 55.803 0.092 0.000 0.810 268 Q CB 2.058 30.826 28.738 0.050 0.000 1.374 268 Q HN 0.533 nan 8.270 nan 0.000 0.422 269 F N 2.291 122.248 119.950 0.011 0.000 2.411 269 F HA 0.478 5.022 4.527 0.028 0.000 0.355 269 F C -0.798 174.999 175.800 -0.004 0.000 1.117 269 F CA -0.851 57.151 58.000 0.003 0.000 1.139 269 F CB 1.021 40.023 39.000 0.002 0.000 1.120 269 F HN 0.567 nan 8.300 nan 0.000 0.493 270 R N 7.408 127.517 120.500 -0.652 0.000 2.275 270 R HA 0.235 4.592 4.340 0.028 0.000 0.326 270 R C 1.092 176.820 176.300 -0.953 0.000 0.973 270 R CA -0.420 55.300 56.100 -0.633 0.000 0.854 270 R CB 1.350 31.505 30.300 -0.242 0.000 1.156 270 R HN 0.927 nan 8.270 nan 0.000 0.487 271 M N 2.235 121.144 119.600 -1.153 0.000 2.296 271 M HA -0.021 4.475 4.480 0.028 0.000 0.265 271 M C -0.632 175.264 176.300 -0.673 0.000 1.064 271 M CA 1.708 56.445 55.300 -0.937 0.000 1.109 271 M CB 0.436 32.480 32.600 -0.927 0.000 1.396 271 M HN 0.395 nan 8.290 nan 0.000 0.430 272 Y N -0.309 119.890 120.300 -0.169 0.000 2.446 272 Y HA 0.711 5.278 4.550 0.028 0.000 0.345 272 Y C -0.470 175.374 175.900 -0.092 0.000 0.984 272 Y CA -1.420 56.626 58.100 -0.090 0.000 1.058 272 Y CB 1.621 40.054 38.460 -0.045 0.000 1.220 272 Y HN 0.026 nan 8.280 nan 0.000 0.455 273 A N 1.388 124.260 122.820 0.088 0.000 2.532 273 A HA 0.680 5.017 4.320 0.028 0.000 0.296 273 A C 0.167 177.745 177.584 -0.010 0.000 1.058 273 A CA -0.225 51.822 52.037 0.017 0.000 0.729 273 A CB 0.663 19.650 19.000 -0.022 0.000 1.285 273 A HN 1.596 nan 8.150 nan 0.000 0.396 274 G N 1.215 110.005 108.800 -0.017 0.000 2.581 274 G HA2 0.446 4.423 3.960 0.028 0.000 0.291 274 G HA3 0.446 4.423 3.960 0.028 0.000 0.291 274 G C 1.537 176.405 174.900 -0.053 0.000 1.277 274 G CA 1.354 46.432 45.100 -0.038 0.000 0.959 274 G HN 3.231 nan 8.290 nan 0.000 0.554 275 G N -3.834 104.915 108.800 -0.085 0.000 2.663 275 G HA2 0.380 4.356 3.960 0.028 0.000 0.686 275 G HA3 0.380 4.356 3.960 0.028 0.000 0.686 275 G C -0.129 174.697 174.900 -0.124 0.000 1.288 275 G CA 0.381 45.405 45.100 -0.127 0.000 0.836 275 G HN 1.996 nan 8.290 nan 0.000 0.584 276 T N 1.621 116.047 114.554 -0.213 0.000 2.834 276 T HA 0.522 4.889 4.350 0.028 0.000 0.298 276 T C 1.272 175.932 174.700 -0.067 0.000 0.966 276 T CA 0.773 62.770 62.100 -0.172 0.000 1.141 276 T CB 0.746 69.403 68.868 -0.351 0.000 0.905 276 T HN 1.395 nan 8.240 nan 0.000 0.535 277 T N 1.697 116.214 114.554 -0.060 0.000 2.882 277 T HA 0.197 4.564 4.350 0.028 0.000 0.287 277 T C 1.307 175.919 174.700 -0.147 0.000 1.014 277 T CA -0.737 61.318 62.100 -0.076 0.000 1.049 277 T CB 0.932 69.753 68.868 -0.079 0.000 1.001 277 T HN 0.585 nan 8.240 nan 0.000 0.525 278 Q N 0.004 119.666 119.800 -0.230 0.000 2.170 278 Q HA -0.112 4.245 4.340 0.028 0.000 0.203 278 Q C 2.102 177.851 176.000 -0.418 0.000 0.976 278 Q CA 1.188 56.671 55.803 -0.533 0.000 0.858 278 Q CB 0.007 28.520 28.738 -0.374 0.000 0.907 278 Q HN 0.663 nan 8.270 nan 0.000 0.433 279 E N 1.010 121.087 120.200 -0.204 0.000 2.106 279 E HA -0.162 4.205 4.350 0.028 0.000 0.192 279 E C 1.656 178.181 176.600 -0.125 0.000 0.984 279 E CA 0.931 57.252 56.400 -0.132 0.000 0.806 279 E CB -0.018 29.632 29.700 -0.082 0.000 0.750 279 E HN 0.465 nan 8.360 nan 0.000 0.458 280 E N -0.089 120.040 120.200 -0.118 0.000 2.072 280 E HA -0.112 4.255 4.350 0.028 0.000 0.191 280 E C 2.009 178.567 176.600 -0.070 0.000 0.985 280 E CA 0.767 57.121 56.400 -0.077 0.000 0.801 280 E CB -0.022 29.652 29.700 -0.044 0.000 0.750 280 E HN 0.139 nan 8.360 nan 0.000 0.452 281 M N 0.757 120.291 119.600 -0.110 0.000 2.132 281 M HA -0.118 4.378 4.480 0.028 0.000 0.263 281 M C 1.975 178.240 176.300 -0.058 0.000 1.065 281 M CA 1.504 56.772 55.300 -0.053 0.000 1.122 281 M CB -0.603 31.894 32.600 -0.173 0.000 1.365 281 M HN -0.027 nan 8.290 nan 0.000 0.411 282 K N -0.135 120.197 120.400 -0.113 0.000 2.063 282 K HA -0.199 4.138 4.320 0.028 0.000 0.208 282 K C 1.540 178.090 176.600 -0.084 0.000 1.048 282 K CA 1.610 57.886 56.287 -0.019 0.000 0.928 282 K CB -0.222 32.280 32.500 0.002 0.000 0.713 282 K HN 0.207 nan 8.250 nan 0.000 0.442 283 D N 0.107 120.443 120.400 -0.108 0.000 2.347 283 D HA 0.040 4.697 4.640 0.028 0.000 0.213 283 D C 1.547 177.729 176.300 -0.198 0.000 0.985 283 D CA 0.537 54.461 54.000 -0.127 0.000 0.879 283 D CB 0.152 40.898 40.800 -0.090 0.000 0.919 283 D HN 0.178 nan 8.370 nan 0.000 0.526 284 A N 1.228 123.893 122.820 -0.258 0.000 1.940 284 A HA -0.178 4.159 4.320 0.028 0.000 0.221 284 A C -0.174 177.024 177.584 -0.643 0.000 1.190 284 A CA 1.510 53.307 52.037 -0.400 0.000 0.647 284 A CB -1.667 17.043 19.000 -0.483 0.000 0.821 284 A HN 0.287 nan 8.150 nan 0.000 0.457 285 P HA -0.084 nan 4.420 nan 0.000 0.222 285 P C 0.702 177.871 177.300 -0.218 0.000 1.147 285 P CA 0.980 63.576 63.100 -0.839 0.000 0.790 285 P CB -0.118 31.124 31.700 -0.762 0.000 0.780 286 N N -0.664 117.940 118.700 -0.161 0.000 2.461 286 N HA 0.052 4.808 4.740 0.028 0.000 0.188 286 N C 0.728 176.231 175.510 -0.011 0.000 1.134 286 N CA 0.161 53.179 53.050 -0.054 0.000 0.878 286 N CB -0.328 38.117 38.487 -0.069 0.000 0.972 286 N HN 0.091 nan 8.380 nan 0.000 0.456 287 A N 0.264 123.096 122.820 0.020 0.000 2.406 287 A HA 0.215 4.552 4.320 0.028 0.000 0.243 287 A C 1.530 179.032 177.584 -0.136 0.000 1.082 287 A CA -0.337 51.695 52.037 -0.009 0.000 0.786 287 A CB 0.350 19.389 19.000 0.066 0.000 1.029 287 A HN 0.164 nan 8.150 nan 0.000 0.495 288 L N 0.358 121.484 121.223 -0.161 0.000 2.046 288 L HA -0.057 4.300 4.340 0.028 0.000 0.208 288 L C 1.095 177.717 176.870 -0.413 0.000 1.077 288 L CA 1.354 56.071 54.840 -0.205 0.000 0.747 288 L CB -0.238 41.749 42.059 -0.120 0.000 0.896 288 L HN 0.842 nan 8.230 nan 0.000 0.432 289 N N -2.470 115.950 118.700 -0.466 0.000 3.227 289 N HA 0.208 4.965 4.740 0.028 0.000 0.241 289 N C -1.474 173.957 175.510 -0.133 0.000 1.480 289 N CA -0.380 52.371 53.050 -0.497 0.000 0.886 289 N CB 1.721 40.088 38.487 -0.200 0.000 1.406 289 N HN -0.329 nan 8.380 nan 0.000 0.514 290 T N 0.377 115.017 114.554 0.144 0.000 2.824 290 T HA 0.524 4.891 4.350 0.028 0.000 0.282 290 T C -0.763 174.028 174.700 0.152 0.000 0.993 290 T CA -0.368 61.902 62.100 0.283 0.000 0.967 290 T CB 1.413 70.603 68.868 0.536 0.000 0.960 290 T HN 0.180 nan 8.240 nan 0.000 0.441 291 V N 4.868 124.858 119.914 0.127 0.000 2.370 291 V HA 0.426 4.563 4.120 0.028 0.000 0.283 291 V C -0.222 175.911 176.094 0.066 0.000 1.023 291 V CA -0.811 61.542 62.300 0.087 0.000 0.857 291 V CB 1.291 33.180 31.823 0.110 0.000 0.985 291 V HN 0.720 nan 8.190 nan 0.000 0.443 292 L N 5.816 127.041 121.223 0.003 0.000 2.265 292 L HA 0.376 4.733 4.340 0.028 0.000 0.288 292 L C 1.168 177.976 176.870 -0.103 0.000 1.058 292 L CA -0.321 54.470 54.840 -0.081 0.000 0.809 292 L CB 1.184 43.167 42.059 -0.127 0.000 1.179 292 L HN 0.605 nan 8.230 nan 0.000 0.429 293 L N 2.374 123.506 121.223 -0.152 0.000 2.141 293 L HA -0.083 4.273 4.340 0.028 0.000 0.209 293 L C 0.686 177.446 176.870 -0.183 0.000 1.094 293 L CA 1.282 56.016 54.840 -0.176 0.000 0.763 293 L CB -0.121 41.798 42.059 -0.233 0.000 0.908 293 L HN 0.712 nan 8.230 nan 0.000 0.437 294 Q N -0.117 119.528 119.800 -0.259 0.000 2.932 294 Q HA 0.186 4.542 4.340 0.028 0.000 0.248 294 Q C -1.820 173.990 176.000 -0.316 0.000 0.982 294 Q CA -1.530 54.129 55.803 -0.240 0.000 0.730 294 Q CB 1.444 30.003 28.738 -0.298 0.000 1.249 294 Q HN 0.048 nan 8.270 nan 0.000 0.476 295 P HA -0.177 nan 4.420 nan 0.000 0.217 295 P C 0.540 177.651 177.300 -0.315 0.000 1.150 295 P CA 1.149 64.061 63.100 -0.313 0.000 0.832 295 P CB 0.112 31.583 31.700 -0.381 0.000 0.787 296 W N 0.896 122.173 121.300 -0.039 0.000 2.387 296 W HA -0.140 4.537 4.660 0.029 0.000 0.272 296 W C 2.330 178.872 176.519 0.038 0.000 1.224 296 W CA 1.383 58.756 57.345 0.047 0.000 1.210 296 W CB -0.986 28.569 29.460 0.159 0.000 1.125 296 W HN 0.314 nan 8.180 nan 0.000 0.572 297 H N -2.456 116.683 119.070 0.115 0.000 2.674 297 H HA 0.345 4.918 4.556 0.028 0.000 0.274 297 H C 0.568 175.918 175.328 0.038 0.000 1.121 297 H CA -0.029 56.052 56.048 0.055 0.000 1.132 297 H CB -0.489 29.271 29.762 -0.003 0.000 1.606 297 H HN 0.193 nan 8.280 nan 0.000 0.558 298 L N 1.261 122.408 121.223 -0.126 0.000 3.209 298 L HA 0.226 4.583 4.340 0.028 0.000 0.279 298 L C 1.189 178.035 176.870 -0.040 0.000 1.301 298 L CA -0.066 54.724 54.840 -0.084 0.000 1.004 298 L CB 0.646 42.573 42.059 -0.221 0.000 1.402 298 L HN 0.145 nan 8.230 nan 0.000 0.577 299 E N 0.727 120.922 120.200 -0.009 0.000 2.072 299 E HA -0.239 4.128 4.350 0.028 0.000 0.191 299 E C 1.823 178.435 176.600 0.020 0.000 0.985 299 E CA 1.068 57.460 56.400 -0.014 0.000 0.801 299 E CB 0.269 29.974 29.700 0.009 0.000 0.750 299 E HN 0.361 nan 8.360 nan 0.000 0.452 300 K N 0.514 120.949 120.400 0.057 0.000 2.057 300 K HA -0.099 4.237 4.320 0.028 0.000 0.206 300 K C 2.103 178.755 176.600 0.087 0.000 1.050 300 K CA 1.489 57.816 56.287 0.066 0.000 0.935 300 K CB 0.048 32.591 32.500 0.072 0.000 0.715 300 K HN -0.036 nan 8.250 nan 0.000 0.439 301 T N 1.107 115.732 114.554 0.119 0.000 2.821 301 T HA -0.126 4.241 4.350 0.028 0.000 0.267 301 T C 1.669 176.426 174.700 0.095 0.000 1.046 301 T CA 1.338 63.543 62.100 0.176 0.000 1.139 301 T CB -0.064 68.954 68.868 0.250 0.000 0.871 301 T HN 0.309 nan 8.240 nan 0.000 0.454 302 K N 1.064 121.482 120.400 0.030 0.000 2.057 302 K HA -0.116 4.221 4.320 0.028 0.000 0.207 302 K C 2.204 178.786 176.600 -0.030 0.000 1.049 302 K CA 1.308 57.584 56.287 -0.018 0.000 0.931 302 K CB -0.021 32.448 32.500 -0.052 0.000 0.714 302 K HN 0.218 nan 8.250 nan 0.000 0.440 303 K N -0.297 120.102 120.400 -0.003 0.000 2.057 303 K HA -0.157 4.180 4.320 0.028 0.000 0.207 303 K C 2.017 178.603 176.600 -0.023 0.000 1.049 303 K CA 1.500 57.782 56.287 -0.008 0.000 0.931 303 K CB -0.264 32.247 32.500 0.018 0.000 0.714 303 K HN 0.134 nan 8.250 nan 0.000 0.440 304 F N 1.380 121.241 119.950 -0.148 0.000 2.146 304 F HA -0.184 4.360 4.527 0.028 0.000 0.298 304 F C 1.856 177.419 175.800 -0.396 0.000 1.096 304 F CA 1.052 58.911 58.000 -0.235 0.000 1.275 304 F CB -0.263 38.580 39.000 -0.263 0.000 1.008 304 F HN -0.286 nan 8.300 nan 0.000 0.480 305 V N 0.562 120.158 119.914 -0.530 0.000 2.358 305 V HA -0.250 3.886 4.120 0.028 0.000 0.246 305 V C 2.295 178.173 176.094 -0.359 0.000 1.047 305 V CA 2.241 64.112 62.300 -0.715 0.000 1.035 305 V CB -0.662 30.944 31.823 -0.360 0.000 0.658 305 V HN 0.334 nan 8.190 nan 0.000 0.452 306 E N 0.242 120.327 120.200 -0.192 0.000 2.072 306 E HA -0.119 4.248 4.350 0.028 0.000 0.191 306 E C 2.295 178.820 176.600 -0.124 0.000 0.985 306 E CA 1.264 57.607 56.400 -0.095 0.000 0.801 306 E CB -0.405 29.264 29.700 -0.052 0.000 0.750 306 E HN 0.639 nan 8.360 nan 0.000 0.452 307 G N 0.631 109.326 108.800 -0.175 0.000 2.404 307 G HA2 -0.200 3.776 3.960 0.028 0.000 0.214 307 G HA3 -0.200 3.776 3.960 0.028 0.000 0.214 307 G C 1.646 176.426 174.900 -0.201 0.000 1.189 307 G CA 1.200 46.209 45.100 -0.151 0.000 0.789 307 G HN 0.163 nan 8.290 nan 0.000 0.533 308 T N 0.011 114.319 114.554 -0.411 0.000 2.770 308 T HA -0.068 4.299 4.350 0.028 0.000 0.258 308 T C 2.007 176.605 174.700 -0.170 0.000 1.039 308 T CA 1.014 62.876 62.100 -0.397 0.000 1.143 308 T CB -0.175 68.171 68.868 -0.870 0.000 0.866 308 T HN 0.391 nan 8.240 nan 0.000 0.428 309 W N 1.398 122.394 121.300 -0.506 0.000 2.658 309 W HA 0.298 4.975 4.660 0.028 0.000 0.263 309 W C 0.643 176.985 176.519 -0.294 0.000 1.274 309 W CA -0.214 56.871 57.345 -0.433 0.000 1.343 309 W CB -0.365 28.702 29.460 -0.655 0.000 1.106 309 W HN 0.140 nan 8.180 nan 0.000 0.615 310 K N -0.363 120.037 120.400 -0.000 0.000 3.192 310 K HA -0.243 4.094 4.320 0.028 0.000 0.278 310 K C -0.488 176.225 176.600 0.188 0.000 1.164 310 K CA 0.748 57.070 56.287 0.057 0.000 0.816 310 K CB -2.637 29.899 32.500 0.060 0.000 1.256 310 K HN 0.435 nan 8.250 nan 0.000 0.497 311 H N 0.710 119.835 119.070 0.092 0.000 2.548 311 H HA 0.196 4.769 4.556 0.028 0.000 0.331 311 H C 0.212 175.563 175.328 0.038 0.000 1.093 311 H CA -0.548 55.551 56.048 0.085 0.000 1.367 311 H CB 0.855 30.709 29.762 0.153 0.000 1.455 311 H HN 0.058 nan 8.280 nan 0.000 0.519 312 E N 3.079 123.354 120.200 0.124 0.000 1.856 312 E HA 0.086 4.453 4.350 0.028 0.000 0.263 312 E C -0.497 176.127 176.600 0.040 0.000 1.137 312 E CA -0.444 55.988 56.400 0.053 0.000 1.007 312 E CB 0.511 30.222 29.700 0.018 0.000 1.117 312 E HN 0.278 nan 8.360 nan 0.000 0.438 313 V N 5.035 124.984 119.914 0.058 0.000 2.493 313 V HA -0.006 4.131 4.120 0.028 0.000 0.292 313 V C -1.828 174.258 176.094 -0.013 0.000 1.016 313 V CA -1.058 61.264 62.300 0.038 0.000 1.097 313 V CB -0.119 31.724 31.823 0.034 0.000 0.947 313 V HN 0.495 nan 8.190 nan 0.000 0.479 314 P HA 0.161 nan 4.420 nan 0.000 0.271 314 P C -0.463 176.793 177.300 -0.073 0.000 1.218 314 P CA -0.499 62.569 63.100 -0.052 0.000 0.780 314 P CB 0.460 32.122 31.700 -0.063 0.000 0.901 315 K N 3.401 123.749 120.400 -0.086 0.000 2.183 315 K HA 0.282 4.618 4.320 0.028 0.000 0.272 315 K C -0.980 175.538 176.600 -0.136 0.000 1.113 315 K CA -0.127 56.089 56.287 -0.119 0.000 0.949 315 K CB -0.713 31.724 32.500 -0.106 0.000 1.365 315 K HN 0.443 nan 8.250 nan 0.000 0.420 316 L N 3.223 124.357 121.223 -0.148 0.000 2.362 316 L HA 0.384 4.740 4.340 0.028 0.000 0.271 316 L C -0.265 176.460 176.870 -0.241 0.000 1.002 316 L CA -1.134 53.609 54.840 -0.161 0.000 0.818 316 L CB 2.138 44.169 42.059 -0.047 0.000 1.298 316 L HN 0.570 nan 8.230 nan 0.000 0.420 317 N N 1.155 119.607 118.700 -0.413 0.000 2.445 317 N HA 0.384 5.141 4.740 0.028 0.000 0.264 317 N C -0.271 175.092 175.510 -0.246 0.000 1.227 317 N CA -0.651 52.057 53.050 -0.568 0.000 0.963 317 N CB 1.304 38.791 38.487 -1.665 0.000 1.188 317 N HN 0.481 nan 8.380 nan 0.000 0.491 318 I N 2.215 122.747 120.570 -0.064 0.000 2.775 318 I HA 0.039 4.225 4.170 0.028 0.000 0.290 318 I C -1.888 174.291 176.117 0.103 0.000 1.203 318 I CA -1.353 59.964 61.300 0.028 0.000 1.433 318 I CB 0.726 38.805 38.000 0.131 0.000 1.354 318 I HN 0.446 nan 8.210 nan 0.000 0.579 319 P HA 0.151 nan 4.420 nan 0.000 0.244 319 P C -1.049 176.178 177.300 -0.121 0.000 1.769 319 P CA 0.227 63.269 63.100 -0.097 0.000 1.102 319 P CB -0.001 31.410 31.700 -0.482 0.000 1.937 320 M N 1.436 121.043 119.600 0.011 0.000 2.465 320 M HA 0.594 5.090 4.480 0.028 0.000 0.316 320 M C 0.569 176.700 176.300 -0.281 0.000 1.121 320 M CA 0.023 55.219 55.300 -0.172 0.000 0.934 320 M CB 2.644 35.162 32.600 -0.137 0.000 1.692 320 M HN 0.399 nan 8.290 nan 0.000 0.444 321 G N 1.030 109.498 108.800 -0.552 0.000 2.828 321 G HA2 -0.214 3.763 3.960 0.028 0.000 0.463 321 G HA3 -0.214 3.763 3.960 0.028 0.000 0.463 321 G C -0.224 174.530 174.900 -0.244 0.000 1.394 321 G CA -0.227 44.496 45.100 -0.628 0.000 0.862 321 G HN 0.739 nan 8.290 nan 0.000 0.540 322 L N -0.293 120.897 121.223 -0.055 0.000 2.027 322 L HA 0.123 4.480 4.340 0.028 0.000 0.206 322 L C 2.423 179.364 176.870 0.119 0.000 1.074 322 L CA 3.044 57.948 54.840 0.107 0.000 0.745 322 L CB -0.681 41.453 42.059 0.126 0.000 0.898 322 L HN 0.644 nan 8.230 nan 0.000 0.433 323 D N -1.275 119.150 120.400 0.043 0.000 2.097 323 D HA -0.197 4.460 4.640 0.028 0.000 0.197 323 D C 1.984 178.470 176.300 0.310 0.000 0.984 323 D CA 1.272 55.351 54.000 0.132 0.000 0.826 323 D CB -0.335 40.515 40.800 0.083 0.000 0.973 323 D HN 0.388 nan 8.370 nan 0.000 0.460 324 W N 1.217 122.527 121.300 0.016 0.000 2.402 324 W HA -0.000 4.677 4.660 0.028 0.000 0.286 324 W C 2.332 178.846 176.519 -0.009 0.000 1.221 324 W CA 0.603 57.951 57.345 0.005 0.000 1.257 324 W CB -1.427 28.023 29.460 -0.017 0.000 1.120 324 W HN -0.038 nan 8.180 nan 0.000 0.551 325 T N 0.122 114.747 114.554 0.119 0.000 2.777 325 T HA -0.159 4.208 4.350 0.028 0.000 0.266 325 T C 1.241 175.972 174.700 0.053 0.000 1.040 325 T CA 1.786 63.832 62.100 -0.090 0.000 1.141 325 T CB -0.319 68.241 68.868 -0.514 0.000 0.868 325 T HN -0.066 nan 8.240 nan 0.000 0.444 326 D N 0.867 121.362 120.400 0.158 0.000 2.097 326 D HA -0.094 4.563 4.640 0.028 0.000 0.195 326 D C 2.135 178.525 176.300 0.149 0.000 0.989 326 D CA 1.037 55.157 54.000 0.200 0.000 0.827 326 D CB -0.292 40.627 40.800 0.198 0.000 0.966 326 D HN 0.518 nan 8.370 nan 0.000 0.456 327 E N -0.708 119.591 120.200 0.166 0.000 2.077 327 E HA -0.180 4.186 4.350 0.028 0.000 0.193 327 E C 2.036 178.692 176.600 0.093 0.000 0.989 327 E CA 0.551 57.023 56.400 0.121 0.000 0.800 327 E CB -0.195 29.594 29.700 0.148 0.000 0.746 327 E HN 0.241 nan 8.360 nan 0.000 0.452 328 F N 1.127 121.070 119.950 -0.012 0.000 2.146 328 F HA -0.121 4.423 4.527 0.028 0.000 0.298 328 F C 1.869 177.642 175.800 -0.044 0.000 1.096 328 F CA 1.223 59.194 58.000 -0.049 0.000 1.275 328 F CB -0.107 38.847 39.000 -0.076 0.000 1.008 328 F HN -0.005 nan 8.300 nan 0.000 0.480 329 L N -0.415 120.834 121.223 0.044 0.000 2.046 329 L HA -0.249 4.108 4.340 0.028 0.000 0.208 329 L C 2.518 179.333 176.870 -0.091 0.000 1.077 329 L CA 1.508 56.327 54.840 -0.035 0.000 0.747 329 L CB -0.592 41.524 42.059 0.095 0.000 0.896 329 L HN 0.251 nan 8.230 nan 0.000 0.432 330 M N -0.618 118.955 119.600 -0.044 0.000 2.132 330 M HA -0.195 4.301 4.480 0.028 0.000 0.263 330 M C 2.328 178.569 176.300 -0.098 0.000 1.065 330 M CA 1.477 56.751 55.300 -0.044 0.000 1.122 330 M CB -0.225 32.372 32.600 -0.005 0.000 1.365 330 M HN -0.005 nan 8.290 nan 0.000 0.411 331 K N 0.614 120.928 120.400 -0.143 0.000 2.057 331 K HA -0.079 4.257 4.320 0.028 0.000 0.207 331 K C 1.533 177.998 176.600 -0.226 0.000 1.049 331 K CA 1.405 57.590 56.287 -0.171 0.000 0.931 331 K CB -0.595 31.794 32.500 -0.186 0.000 0.714 331 K HN 0.128 nan 8.250 nan 0.000 0.440 332 V N 0.500 120.198 119.914 -0.360 0.000 2.490 332 V HA -0.204 3.933 4.120 0.028 0.000 0.250 332 V C 2.398 178.385 176.094 -0.179 0.000 1.061 332 V CA 1.978 64.076 62.300 -0.337 0.000 1.064 332 V CB -0.540 30.992 31.823 -0.486 0.000 0.670 332 V HN 0.519 nan 8.190 nan 0.000 0.461 333 S N -0.561 115.054 115.700 -0.143 0.000 2.368 333 S HA -0.260 4.227 4.470 0.028 0.000 0.224 333 S C 2.093 176.653 174.600 -0.067 0.000 1.029 333 S CA 2.019 60.172 58.200 -0.079 0.000 0.988 333 S CB -0.235 62.934 63.200 -0.053 0.000 0.838 333 S HN 0.735 nan 8.310 nan 0.000 0.462 334 E N 0.158 120.313 120.200 -0.075 0.000 2.072 334 E HA -0.111 4.256 4.350 0.028 0.000 0.191 334 E C 2.040 178.603 176.600 -0.062 0.000 0.985 334 E CA 1.409 57.774 56.400 -0.059 0.000 0.801 334 E CB -0.232 29.433 29.700 -0.059 0.000 0.750 334 E HN 0.659 nan 8.360 nan 0.000 0.452 335 I N 0.988 121.510 120.570 -0.081 0.000 2.202 335 I HA -0.234 3.952 4.170 0.028 0.000 0.242 335 I C 2.645 178.724 176.117 -0.063 0.000 1.091 335 I CA 1.404 62.657 61.300 -0.078 0.000 1.368 335 I CB -0.246 37.695 38.000 -0.098 0.000 1.058 335 I HN 0.182 nan 8.210 nan 0.000 0.410 336 S N -0.036 115.628 115.700 -0.060 0.000 2.470 336 S HA 0.142 4.629 4.470 0.028 0.000 0.225 336 S C 1.793 176.375 174.600 -0.030 0.000 1.006 336 S CA 0.554 58.730 58.200 -0.039 0.000 0.934 336 S CB 0.400 63.583 63.200 -0.030 0.000 0.778 336 S HN 0.606 nan 8.310 nan 0.000 0.517 337 G N 0.422 109.203 108.800 -0.032 0.000 2.199 337 G HA2 -0.211 3.766 3.960 0.028 0.000 0.254 337 G HA3 -0.211 3.766 3.960 0.028 0.000 0.254 337 G C -0.078 174.812 174.900 -0.017 0.000 0.982 337 G CA 0.066 45.151 45.100 -0.024 0.000 0.632 337 G HN 0.519 nan 8.290 nan 0.000 0.529 338 Q N 1.444 121.234 119.800 -0.016 0.000 2.314 338 Q HA 0.403 4.759 4.340 0.028 0.000 0.258 338 Q C -1.905 174.090 176.000 -0.008 0.000 0.954 338 Q CA -1.429 54.369 55.803 -0.007 0.000 0.890 338 Q CB 1.497 30.235 28.738 -0.000 0.000 1.210 338 Q HN 0.423 nan 8.270 nan 0.000 0.410 339 P HA 0.225 nan 4.420 nan 0.000 0.276 339 P C -0.227 177.078 177.300 0.008 0.000 1.252 339 P CA -0.371 62.729 63.100 0.001 0.000 0.802 339 P CB 0.918 32.620 31.700 0.003 0.000 1.035 340 I N 2.877 123.455 120.570 0.013 0.000 2.396 340 I HA 0.149 4.336 4.170 0.028 0.000 0.289 340 I C -1.358 174.776 176.117 0.028 0.000 1.056 340 I CA -1.882 59.434 61.300 0.027 0.000 1.365 340 I CB 0.535 38.558 38.000 0.039 0.000 1.407 340 I HN 0.254 nan 8.210 nan 0.000 0.509 341 P HA 0.104 nan 4.420 nan 0.000 0.274 341 P C 0.311 177.626 177.300 0.025 0.000 1.237 341 P CA -0.378 62.738 63.100 0.027 0.000 0.793 341 P CB 1.101 32.819 31.700 0.031 0.000 0.977 342 A N 1.791 124.621 122.820 0.017 0.000 2.019 342 A HA -0.165 4.172 4.320 0.028 0.000 0.219 342 A C 2.260 179.849 177.584 0.008 0.000 1.164 342 A CA 2.067 54.109 52.037 0.009 0.000 0.644 342 A CB -1.503 17.500 19.000 0.005 0.000 0.805 342 A HN 0.693 nan 8.150 nan 0.000 0.449 343 S N 0.043 115.753 115.700 0.017 0.000 2.368 343 S HA -0.076 4.411 4.470 0.028 0.000 0.224 343 S C 1.876 176.492 174.600 0.027 0.000 1.029 343 S CA 1.382 59.593 58.200 0.019 0.000 0.988 343 S CB -0.697 62.518 63.200 0.026 0.000 0.838 343 S HN 0.447 nan 8.310 nan 0.000 0.462 344 L N 1.151 122.405 121.223 0.050 0.000 2.093 344 L HA -0.055 4.302 4.340 0.028 0.000 0.208 344 L C 2.975 179.863 176.870 0.031 0.000 1.085 344 L CA 1.486 56.381 54.840 0.093 0.000 0.755 344 L CB -1.172 40.976 42.059 0.150 0.000 0.904 344 L HN 0.371 nan 8.230 nan 0.000 0.435 345 T N -0.524 114.035 114.554 0.008 0.000 2.746 345 T HA -0.246 4.121 4.350 0.028 0.000 0.267 345 T C 1.912 176.560 174.700 -0.086 0.000 1.039 345 T CA 1.534 63.611 62.100 -0.037 0.000 1.142 345 T CB -0.083 68.776 68.868 -0.014 0.000 0.866 345 T HN 0.245 nan 8.240 nan 0.000 0.444 346 K N 1.006 121.371 120.400 -0.058 0.000 2.057 346 K HA -0.115 4.221 4.320 0.028 0.000 0.206 346 K C 2.329 178.868 176.600 -0.102 0.000 1.050 346 K CA 1.451 57.699 56.287 -0.065 0.000 0.935 346 K CB -0.069 32.411 32.500 -0.034 0.000 0.715 346 K HN 0.384 nan 8.250 nan 0.000 0.439 347 E N 0.608 120.745 120.200 -0.105 0.000 2.085 347 E HA -0.251 4.116 4.350 0.028 0.000 0.194 347 E C 2.166 178.564 176.600 -0.337 0.000 0.994 347 E CA 1.119 57.441 56.400 -0.129 0.000 0.801 347 E CB -0.004 29.685 29.700 -0.019 0.000 0.743 347 E HN 0.248 nan 8.360 nan 0.000 0.453 348 R N -0.328 119.825 120.500 -0.580 0.000 2.081 348 R HA -0.105 4.251 4.340 0.028 0.000 0.235 348 R C 2.361 178.433 176.300 -0.380 0.000 1.131 348 R CA 1.580 57.154 56.100 -0.876 0.000 0.960 348 R CB -0.552 29.296 30.300 -0.753 0.000 0.856 348 R HN 0.261 nan 8.270 nan 0.000 0.436 349 G N 0.213 108.874 108.800 -0.231 0.000 2.448 349 G HA2 -0.232 3.745 3.960 0.028 0.000 0.219 349 G HA3 -0.232 3.745 3.960 0.028 0.000 0.219 349 G C 1.389 176.229 174.900 -0.101 0.000 1.127 349 G CA 0.378 45.400 45.100 -0.131 0.000 0.766 349 G HN 0.323 nan 8.290 nan 0.000 0.552 350 R N -0.847 119.588 120.500 -0.108 0.000 2.090 350 R HA 0.102 4.459 4.340 0.028 0.000 0.228 350 R C 2.383 178.653 176.300 -0.050 0.000 1.110 350 R CA 0.766 56.828 56.100 -0.064 0.000 0.973 350 R CB -0.384 29.885 30.300 -0.051 0.000 0.869 350 R HN 0.366 nan 8.270 nan 0.000 0.440 351 L N 0.726 121.903 121.223 -0.076 0.000 2.056 351 L HA -0.109 4.248 4.340 0.028 0.000 0.207 351 L C 1.958 178.827 176.870 -0.002 0.000 1.078 351 L CA 1.589 56.417 54.840 -0.021 0.000 0.749 351 L CB -0.373 41.674 42.059 -0.020 0.000 0.901 351 L HN -0.112 nan 8.230 nan 0.000 0.433 352 V N 0.138 120.028 119.914 -0.040 0.000 2.332 352 V HA -0.329 3.808 4.120 0.028 0.000 0.248 352 V C 2.362 178.447 176.094 -0.014 0.000 1.055 352 V CA 2.080 64.366 62.300 -0.023 0.000 1.038 352 V CB -0.816 30.979 31.823 -0.046 0.000 0.651 352 V HN 0.599 nan 8.190 nan 0.000 0.450 353 D N -0.602 119.787 120.400 -0.019 0.000 2.117 353 D HA -0.207 4.450 4.640 0.028 0.000 0.197 353 D C 2.199 178.507 176.300 0.013 0.000 0.987 353 D CA 1.588 55.584 54.000 -0.007 0.000 0.829 353 D CB -0.112 40.680 40.800 -0.013 0.000 0.961 353 D HN 0.367 nan 8.370 nan 0.000 0.460 354 M N -0.694 118.916 119.600 0.017 0.000 2.117 354 M HA -0.126 4.371 4.480 0.028 0.000 0.262 354 M C 2.277 178.606 176.300 0.047 0.000 1.065 354 M CA 1.190 56.511 55.300 0.034 0.000 1.114 354 M CB -0.210 32.412 32.600 0.037 0.000 1.361 354 M HN 0.170 nan 8.290 nan 0.000 0.408 355 M N -0.326 119.300 119.600 0.043 0.000 2.132 355 M HA -0.147 4.350 4.480 0.028 0.000 0.263 355 M C 2.358 178.689 176.300 0.053 0.000 1.065 355 M CA 2.102 57.423 55.300 0.035 0.000 1.122 355 M CB -0.728 31.884 32.600 0.020 0.000 1.365 355 M HN 0.427 nan 8.290 nan 0.000 0.411 356 T N -2.344 112.229 114.554 0.032 0.000 2.867 356 T HA -0.116 4.251 4.350 0.028 0.000 0.268 356 T C 1.273 176.077 174.700 0.174 0.000 1.057 356 T CA 1.410 63.535 62.100 0.041 0.000 1.136 356 T CB -0.468 68.390 68.868 -0.016 0.000 0.874 356 T HN 0.221 nan 8.240 nan 0.000 0.466 357 D N 1.595 122.062 120.400 0.111 0.000 2.178 357 D HA 0.031 4.688 4.640 0.028 0.000 0.202 357 D C 1.809 178.178 176.300 0.116 0.000 0.974 357 D CA 0.998 55.062 54.000 0.105 0.000 0.841 357 D CB -0.205 40.635 40.800 0.067 0.000 0.953 357 D HN 0.443 nan 8.370 nan 0.000 0.478 358 S N -0.295 115.478 115.700 0.123 0.000 2.554 358 S HA -0.024 4.462 4.470 0.028 0.000 0.226 358 S C 1.503 176.167 174.600 0.108 0.000 0.980 358 S CA -0.487 57.791 58.200 0.129 0.000 0.939 358 S CB -0.022 63.239 63.200 0.101 0.000 0.832 358 S HN 0.463 nan 8.310 nan 0.000 0.486 359 H N 1.747 120.826 119.070 0.015 0.000 2.423 359 H HA -0.073 4.500 4.556 0.028 0.000 0.297 359 H C 1.906 177.230 175.328 -0.006 0.000 1.075 359 H CA 1.833 57.879 56.048 -0.002 0.000 1.342 359 H CB -0.959 28.785 29.762 -0.029 0.000 1.395 359 H HN 0.455 nan 8.280 nan 0.000 0.530 360 T N -2.358 111.759 114.554 -0.728 0.000 2.867 360 T HA -0.152 4.215 4.350 0.028 0.000 0.268 360 T C 1.892 176.374 174.700 -0.364 0.000 1.057 360 T CA 1.006 62.720 62.100 -0.644 0.000 1.136 360 T CB -0.789 67.593 68.868 -0.811 0.000 0.874 360 T HN 0.531 nan 8.240 nan 0.000 0.466 361 W N 0.787 122.030 121.300 -0.095 0.000 2.476 361 W HA 0.399 5.077 4.660 0.029 0.000 0.281 361 W C 2.158 178.684 176.519 0.010 0.000 1.230 361 W CA -0.454 56.873 57.345 -0.030 0.000 1.287 361 W CB -0.094 29.344 29.460 -0.037 0.000 1.108 361 W HN 0.168 nan 8.180 nan 0.000 0.567 362 L N -0.728 120.630 121.223 0.226 0.000 2.240 362 L HA -0.046 4.311 4.340 0.028 0.000 0.211 362 L C 1.411 178.354 176.870 0.121 0.000 1.106 362 L CA 0.346 55.276 54.840 0.150 0.000 0.793 362 L CB -0.826 41.267 42.059 0.056 0.000 0.927 362 L HN -0.015 nan 8.230 nan 0.000 0.446 363 H N 0.980 120.070 119.070 0.034 0.000 3.107 363 H HA -0.015 4.558 4.556 0.028 0.000 0.301 363 H C 1.096 176.467 175.328 0.072 0.000 0.981 363 H CA 1.178 57.243 56.048 0.029 0.000 1.443 363 H CB 0.683 30.462 29.762 0.027 0.000 1.479 363 H HN 0.365 nan 8.280 nan 0.000 0.564 364 G N 4.812 113.355 108.800 -0.427 0.000 2.184 364 G HA2 -0.254 3.722 3.960 0.028 0.000 0.264 364 G HA3 -0.254 3.722 3.960 0.028 0.000 0.264 364 G C 0.280 175.156 174.900 -0.041 0.000 0.975 364 G CA 0.195 45.182 45.100 -0.187 0.000 0.642 364 G HN 0.530 nan 8.290 nan 0.000 0.536 365 K N 0.597 120.993 120.400 -0.006 0.000 2.401 365 K HA 0.360 4.697 4.320 0.028 0.000 0.278 365 K C 0.835 177.350 176.600 -0.141 0.000 1.018 365 K CA -0.095 56.155 56.287 -0.062 0.000 0.981 365 K CB 0.587 33.064 32.500 -0.038 0.000 0.933 365 K HN 0.420 nan 8.250 nan 0.000 0.477 366 R N 2.123 122.456 120.500 -0.280 0.000 2.265 366 R HA 0.406 4.763 4.340 0.028 0.000 0.319 366 R C -0.580 175.501 176.300 -0.365 0.000 1.006 366 R CA -0.290 55.685 56.100 -0.208 0.000 0.880 366 R CB 0.586 30.817 30.300 -0.116 0.000 1.077 366 R HN 0.351 nan 8.270 nan 0.000 0.454 367 F N 0.597 120.601 119.950 0.089 0.000 2.588 367 F HA 0.641 5.185 4.527 0.029 0.000 0.314 367 F C -0.049 175.848 175.800 0.161 0.000 1.069 367 F CA -1.034 57.051 58.000 0.141 0.000 0.931 367 F CB 2.086 41.154 39.000 0.113 0.000 1.260 367 F HN 0.442 nan 8.300 nan 0.000 0.465 368 A N 2.844 125.936 122.820 0.454 0.000 2.331 368 A HA 0.929 5.266 4.320 0.028 0.000 0.320 368 A C -1.455 176.417 177.584 0.479 0.000 1.138 368 A CA -0.579 51.740 52.037 0.471 0.000 0.790 368 A CB 1.001 20.289 19.000 0.480 0.000 1.206 368 A HN 0.828 nan 8.150 nan 0.000 0.470 369 L N -0.803 120.708 121.223 0.480 0.000 2.465 369 L HA 1.039 5.395 4.340 0.028 0.000 0.257 369 L C -0.997 176.229 176.870 0.593 0.000 0.988 369 L CA -0.678 54.416 54.840 0.424 0.000 0.827 369 L CB 1.164 43.352 42.059 0.215 0.000 1.397 369 L HN 0.940 nan 8.230 nan 0.000 0.410 370 W N 0.644 122.112 121.300 0.279 0.000 3.062 370 W HA 1.015 5.691 4.660 0.026 0.000 0.336 370 W C -0.241 176.464 176.519 0.310 0.000 1.224 370 W CA -0.333 57.175 57.345 0.272 0.000 1.159 370 W CB 1.247 30.835 29.460 0.212 0.000 1.454 370 W HN 1.024 nan 8.180 nan 0.000 0.569 371 G N 0.355 109.448 108.800 0.489 0.000 2.345 371 G HA2 0.194 4.171 3.960 0.028 0.000 0.285 371 G HA3 0.194 4.171 3.960 0.028 0.000 0.285 371 G C -1.736 173.319 174.900 0.259 0.000 1.297 371 G CA -0.971 44.308 45.100 0.299 0.000 0.875 371 G HN 0.570 nan 8.290 nan 0.000 0.506 372 D N 0.572 121.078 120.400 0.177 0.000 2.344 372 D HA 0.391 5.048 4.640 0.028 0.000 0.244 372 D C -1.241 175.110 176.300 0.085 0.000 1.134 372 D CA -1.203 52.834 54.000 0.062 0.000 0.930 372 D CB 1.565 42.358 40.800 -0.011 0.000 1.175 372 D HN -0.034 nan 8.370 nan 0.000 0.437 373 P HA -0.101 nan 4.420 nan 0.000 0.216 373 P C 0.759 178.197 177.300 0.230 0.000 1.153 373 P CA 1.116 63.978 63.100 -0.395 0.000 0.848 373 P CB 0.384 31.571 31.700 -0.854 0.000 0.787 374 D N -1.582 119.020 120.400 0.337 0.000 2.144 374 D HA -0.138 4.519 4.640 0.028 0.000 0.200 374 D C 1.786 178.326 176.300 0.400 0.000 0.978 374 D CA 0.944 55.209 54.000 0.441 0.000 0.833 374 D CB -0.474 40.545 40.800 0.365 0.000 0.961 374 D HN 0.147 nan 8.370 nan 0.000 0.470 375 F N 1.909 121.993 119.950 0.225 0.000 2.146 375 F HA -0.192 4.351 4.527 0.027 0.000 0.298 375 F C 2.173 178.094 175.800 0.201 0.000 1.096 375 F CA 0.983 59.093 58.000 0.184 0.000 1.275 375 F CB -0.298 38.796 39.000 0.157 0.000 1.008 375 F HN -0.271 nan 8.300 nan 0.000 0.480 376 V N 2.370 122.489 119.914 0.341 0.000 2.343 376 V HA -0.375 3.761 4.120 0.028 0.000 0.247 376 V C 2.571 178.779 176.094 0.189 0.000 1.051 376 V CA 2.309 64.759 62.300 0.250 0.000 1.036 376 V CB -0.879 31.235 31.823 0.484 0.000 0.654 376 V HN 0.627 nan 8.190 nan 0.000 0.451 377 M N 0.310 120.124 119.600 0.358 0.000 2.175 377 M HA 0.039 4.536 4.480 0.028 0.000 0.264 377 M C 2.112 178.525 176.300 0.188 0.000 1.063 377 M CA 2.412 57.880 55.300 0.281 0.000 1.119 377 M CB -1.206 31.610 32.600 0.360 0.000 1.377 377 M HN 0.182 nan 8.290 nan 0.000 0.415 378 G N 1.459 110.380 108.800 0.202 0.000 2.418 378 G HA2 -0.177 3.800 3.960 0.028 0.000 0.217 378 G HA3 -0.177 3.800 3.960 0.028 0.000 0.217 378 G C 1.444 176.225 174.900 -0.197 0.000 1.158 378 G CA 0.958 46.079 45.100 0.035 0.000 0.771 378 G HN 0.434 nan 8.290 nan 0.000 0.545 379 L N 0.818 121.867 121.223 -0.290 0.000 2.083 379 L HA 0.023 4.380 4.340 0.028 0.000 0.209 379 L C 2.827 179.585 176.870 -0.186 0.000 1.083 379 L CA 1.337 55.990 54.840 -0.311 0.000 0.752 379 L CB -0.398 41.328 42.059 -0.556 0.000 0.899 379 L HN 0.077 nan 8.230 nan 0.000 0.433 380 V N -0.274 119.556 119.914 -0.140 0.000 2.358 380 V HA -0.252 3.885 4.120 0.028 0.000 0.246 380 V C 2.647 178.643 176.094 -0.163 0.000 1.047 380 V CA 1.869 64.104 62.300 -0.108 0.000 1.035 380 V CB -0.595 31.200 31.823 -0.046 0.000 0.658 380 V HN 0.479 nan 8.190 nan 0.000 0.452 381 K N 0.225 120.466 120.400 -0.265 0.000 2.057 381 K HA -0.201 4.136 4.320 0.028 0.000 0.207 381 K C 1.930 178.372 176.600 -0.263 0.000 1.049 381 K CA 1.775 57.810 56.287 -0.420 0.000 0.931 381 K CB -0.623 31.233 32.500 -1.074 0.000 0.714 381 K HN 0.314 nan 8.250 nan 0.000 0.440 382 F N 0.949 120.659 119.950 -0.400 0.000 2.113 382 F HA -0.007 4.536 4.527 0.028 0.000 0.297 382 F C 1.619 177.263 175.800 -0.261 0.000 1.103 382 F CA 1.198 59.010 58.000 -0.313 0.000 1.248 382 F CB -0.465 38.362 39.000 -0.289 0.000 0.999 382 F HN -0.010 nan 8.300 nan 0.000 0.475 383 L N -0.460 120.574 121.223 -0.315 0.000 2.079 383 L HA -0.263 4.094 4.340 0.028 0.000 0.210 383 L C 2.484 179.161 176.870 -0.322 0.000 1.081 383 L CA 1.081 55.684 54.840 -0.395 0.000 0.752 383 L CB -0.705 41.175 42.059 -0.298 0.000 0.896 383 L HN 0.194 nan 8.230 nan 0.000 0.433 384 L N -0.706 120.379 121.223 -0.231 0.000 2.056 384 L HA -0.192 4.165 4.340 0.028 0.000 0.207 384 L C 2.455 179.174 176.870 -0.253 0.000 1.078 384 L CA 1.237 55.965 54.840 -0.185 0.000 0.749 384 L CB -0.470 41.536 42.059 -0.089 0.000 0.901 384 L HN 0.285 nan 8.230 nan 0.000 0.433 385 E N 0.189 120.250 120.200 -0.231 0.000 2.150 385 E HA -0.175 4.192 4.350 0.028 0.000 0.193 385 E C 2.183 178.620 176.600 -0.271 0.000 0.985 385 E CA 0.876 57.165 56.400 -0.186 0.000 0.814 385 E CB -0.043 29.619 29.700 -0.063 0.000 0.752 385 E HN 0.494 nan 8.360 nan 0.000 0.466 386 L N -0.527 120.446 121.223 -0.417 0.000 2.478 386 L HA 0.080 4.436 4.340 0.028 0.000 0.223 386 L C 1.426 178.080 176.870 -0.360 0.000 1.140 386 L CA 0.531 55.130 54.840 -0.402 0.000 0.842 386 L CB -0.085 41.639 42.059 -0.558 0.000 0.953 386 L HN 0.330 nan 8.230 nan 0.000 0.452 387 G N -0.866 107.585 108.800 -0.582 0.000 2.141 387 G HA2 -0.228 3.748 3.960 0.028 0.000 0.231 387 G HA3 -0.228 3.748 3.960 0.028 0.000 0.231 387 G C 0.170 174.628 174.900 -0.737 0.000 0.984 387 G CA -0.117 44.398 45.100 -0.975 0.000 0.660 387 G HN 0.305 nan 8.290 nan 0.000 0.525 388 C N 0.367 119.418 119.300 -0.416 0.000 2.362 388 C HA 0.662 5.139 4.460 0.028 0.000 0.363 388 C C 0.638 175.629 174.990 0.003 0.000 1.220 388 C CA -0.526 58.430 59.018 -0.104 0.000 2.379 388 C CB 1.238 28.998 27.740 0.035 0.000 2.351 388 C HN 0.511 nan 8.230 nan 0.000 0.582 389 E N 1.759 122.035 120.200 0.126 0.000 2.102 389 E HA 0.261 4.628 4.350 0.028 0.000 0.263 389 E C -2.503 174.192 176.600 0.159 0.000 0.894 389 E CA -1.331 55.145 56.400 0.128 0.000 0.746 389 E CB 1.076 30.826 29.700 0.082 0.000 1.129 389 E HN 0.430 nan 8.360 nan 0.000 0.416 390 P HA -0.039 nan 4.420 nan 0.000 0.268 390 P C -0.013 177.325 177.300 0.064 0.000 1.205 390 P CA 0.043 63.218 63.100 0.126 0.000 0.771 390 P CB 1.197 32.941 31.700 0.074 0.000 0.858 391 V N 1.775 121.708 119.914 0.033 0.000 2.948 391 V HA 0.098 4.234 4.120 0.028 0.000 0.234 391 V C 0.311 176.298 176.094 -0.178 0.000 1.205 391 V CA 0.924 63.127 62.300 -0.161 0.000 1.234 391 V CB -0.337 31.274 31.823 -0.353 0.000 1.020 391 V HN 0.527 nan 8.190 nan 0.000 0.491 392 H N 0.528 119.739 119.070 0.234 0.000 2.539 392 H HA 0.604 5.177 4.556 0.028 0.000 0.332 392 H C -0.980 174.556 175.328 0.346 0.000 1.031 392 H CA -0.426 55.815 56.048 0.321 0.000 1.206 392 H CB 1.672 31.580 29.762 0.244 0.000 1.446 392 H HN 0.217 nan 8.280 nan 0.000 0.496 393 I N 4.537 125.411 120.570 0.506 0.000 2.410 393 I HA 0.206 4.393 4.170 0.028 0.000 0.286 393 I C -0.515 175.927 176.117 0.540 0.000 1.009 393 I CA -0.360 61.202 61.300 0.437 0.000 1.111 393 I CB 2.026 40.207 38.000 0.301 0.000 1.262 393 I HN 0.235 nan 8.210 nan 0.000 0.443 394 L N 7.078 128.612 121.223 0.518 0.000 2.341 394 L HA 0.674 5.030 4.340 0.028 0.000 0.278 394 L C -1.195 175.933 176.870 0.429 0.000 1.005 394 L CA -0.239 54.882 54.840 0.468 0.000 0.818 394 L CB 1.642 43.903 42.059 0.336 0.000 1.259 394 L HN 0.763 nan 8.230 nan 0.000 0.418 395 C N 4.039 123.539 119.300 0.333 0.000 2.654 395 C HA 0.295 4.772 4.460 0.028 0.000 0.315 395 C C 1.199 176.282 174.990 0.154 0.000 1.054 395 C CA -0.499 58.604 59.018 0.142 0.000 1.419 395 C CB 0.011 27.578 27.740 -0.290 0.000 1.889 395 C HN 1.103 nan 8.230 nan 0.000 0.447 396 H N 3.730 122.845 119.070 0.075 0.000 2.353 396 H HA -0.096 4.477 4.556 0.028 0.000 0.300 396 H C 1.425 176.756 175.328 0.006 0.000 1.090 396 H CA 2.010 58.091 56.048 0.055 0.000 1.327 396 H CB 0.459 30.254 29.762 0.054 0.000 1.383 396 H HN 0.811 nan 8.280 nan 0.000 0.508 397 N N 0.549 119.247 118.700 -0.005 0.000 2.313 397 N HA 0.080 4.837 4.740 0.028 0.000 0.207 397 N C 0.449 175.855 175.510 -0.173 0.000 1.141 397 N CA 0.328 53.301 53.050 -0.128 0.000 0.830 397 N CB -0.078 38.308 38.487 -0.169 0.000 1.008 397 N HN 0.208 nan 8.380 nan 0.000 0.481 398 G N 0.319 108.995 108.800 -0.207 0.000 2.580 398 G HA2 0.391 4.368 3.960 0.028 0.000 0.278 398 G HA3 0.391 4.368 3.960 0.028 0.000 0.278 398 G C -0.176 174.692 174.900 -0.055 0.000 1.212 398 G CA -0.589 44.302 45.100 -0.348 0.000 0.939 398 G HN 0.557 nan 8.290 nan 0.000 0.513 399 N N -2.182 116.550 118.700 0.053 0.000 2.577 399 N HA 0.311 5.068 4.740 0.028 0.000 0.285 399 N C 0.586 176.220 175.510 0.207 0.000 1.309 399 N CA -1.007 52.127 53.050 0.140 0.000 0.798 399 N CB 1.759 40.337 38.487 0.152 0.000 1.463 399 N HN 0.349 nan 8.380 nan 0.000 0.518 400 K N -0.101 120.397 120.400 0.163 0.000 2.057 400 K HA -0.034 4.303 4.320 0.028 0.000 0.207 400 K C 1.625 178.301 176.600 0.127 0.000 1.049 400 K CA 1.321 57.689 56.287 0.136 0.000 0.931 400 K CB -0.140 32.423 32.500 0.106 0.000 0.714 400 K HN 0.414 nan 8.250 nan 0.000 0.440 401 R N -0.346 120.258 120.500 0.173 0.000 2.081 401 R HA -0.182 4.175 4.340 0.028 0.000 0.235 401 R C 2.096 178.424 176.300 0.047 0.000 1.131 401 R CA 1.751 57.971 56.100 0.199 0.000 0.960 401 R CB -0.386 30.140 30.300 0.378 0.000 0.856 401 R HN 0.385 nan 8.270 nan 0.000 0.436 402 W N 2.282 123.367 121.300 -0.357 0.000 2.358 402 W HA -0.193 4.484 4.660 0.027 0.000 0.303 402 W C 2.104 178.358 176.519 -0.442 0.000 1.208 402 W CA 1.368 58.159 57.345 -0.922 0.000 1.274 402 W CB -0.045 28.895 29.460 -0.867 0.000 1.138 402 W HN -0.089 nan 8.180 nan 0.000 0.515 403 K N 0.642 120.963 120.400 -0.132 0.000 2.057 403 K HA -0.224 4.113 4.320 0.028 0.000 0.207 403 K C 2.053 178.476 176.600 -0.296 0.000 1.049 403 K CA 1.890 58.033 56.287 -0.240 0.000 0.931 403 K CB -0.242 32.288 32.500 0.050 0.000 0.714 403 K HN 0.118 nan 8.250 nan 0.000 0.440 404 K N -0.039 120.261 120.400 -0.167 0.000 2.057 404 K HA -0.114 4.222 4.320 0.028 0.000 0.207 404 K C 2.190 178.696 176.600 -0.158 0.000 1.049 404 K CA 1.261 57.480 56.287 -0.113 0.000 0.931 404 K CB -0.160 32.328 32.500 -0.020 0.000 0.714 404 K HN 0.186 nan 8.250 nan 0.000 0.440 405 A N 1.132 123.822 122.820 -0.217 0.000 1.902 405 A HA -0.116 4.221 4.320 0.028 0.000 0.217 405 A C 2.395 179.822 177.584 -0.262 0.000 1.181 405 A CA 1.383 53.320 52.037 -0.167 0.000 0.623 405 A CB -0.637 18.320 19.000 -0.071 0.000 0.818 405 A HN 0.070 nan 8.150 nan 0.000 0.443 406 V N 0.642 120.233 119.914 -0.539 0.000 2.358 406 V HA -0.217 3.920 4.120 0.028 0.000 0.246 406 V C 2.029 177.961 176.094 -0.270 0.000 1.047 406 V CA 2.202 64.205 62.300 -0.495 0.000 1.035 406 V CB -0.755 30.523 31.823 -0.910 0.000 0.658 406 V HN 0.492 nan 8.190 nan 0.000 0.452 407 D N 0.302 120.555 120.400 -0.246 0.000 2.219 407 D HA -0.071 4.586 4.640 0.028 0.000 0.205 407 D C 2.185 178.431 176.300 -0.090 0.000 0.970 407 D CA 1.425 55.337 54.000 -0.147 0.000 0.851 407 D CB -0.106 40.617 40.800 -0.129 0.000 0.943 407 D HN 0.455 nan 8.370 nan 0.000 0.488 408 A N 0.717 123.489 122.820 -0.080 0.000 1.898 408 A HA -0.103 4.234 4.320 0.028 0.000 0.216 408 A C 2.331 179.910 177.584 -0.008 0.000 1.181 408 A CA 0.711 52.730 52.037 -0.031 0.000 0.620 408 A CB -0.577 18.416 19.000 -0.012 0.000 0.819 408 A HN 0.161 nan 8.150 nan 0.000 0.442 409 I N -0.291 120.276 120.570 -0.005 0.000 2.252 409 I HA -0.245 3.942 4.170 0.028 0.000 0.245 409 I C 2.367 178.485 176.117 0.001 0.000 1.102 409 I CA 0.989 62.307 61.300 0.030 0.000 1.385 409 I CB -0.325 37.709 38.000 0.057 0.000 1.064 409 I HN 0.285 nan 8.210 nan 0.000 0.414 410 L N 0.558 121.763 121.223 -0.030 0.000 2.012 410 L HA -0.221 4.136 4.340 0.028 0.000 0.210 410 L C 2.784 179.644 176.870 -0.016 0.000 1.073 410 L CA 1.479 56.303 54.840 -0.027 0.000 0.748 410 L CB -0.720 41.309 42.059 -0.049 0.000 0.891 410 L HN 0.253 nan 8.230 nan 0.000 0.431 411 A N -0.282 122.525 122.820 -0.022 0.000 2.067 411 A HA -0.040 4.297 4.320 0.028 0.000 0.219 411 A C 2.377 179.958 177.584 -0.005 0.000 1.158 411 A CA 1.355 53.381 52.037 -0.017 0.000 0.661 411 A CB -0.503 18.485 19.000 -0.021 0.000 0.801 411 A HN 0.406 nan 8.150 nan 0.000 0.452 412 A N -1.127 121.698 122.820 0.008 0.000 2.167 412 A HA 0.296 4.633 4.320 0.028 0.000 0.214 412 A C 1.276 178.875 177.584 0.026 0.000 1.151 412 A CA 1.033 53.082 52.037 0.021 0.000 0.735 412 A CB -0.253 18.770 19.000 0.038 0.000 0.802 412 A HN 0.475 nan 8.150 nan 0.000 0.467 413 S N -1.187 114.529 115.700 0.027 0.000 2.500 413 S HA 0.533 5.020 4.470 0.028 0.000 0.301 413 S C -2.170 172.433 174.600 0.005 0.000 1.092 413 S CA -1.510 56.723 58.200 0.055 0.000 1.030 413 S CB 1.522 64.788 63.200 0.110 0.000 1.031 413 S HN 0.003 nan 8.310 nan 0.000 0.483 414 P HA -0.090 nan 4.420 nan 0.000 0.218 414 P C 0.279 177.391 177.300 -0.314 0.000 1.146 414 P CA 1.236 64.200 63.100 -0.227 0.000 0.813 414 P CB -0.071 31.412 31.700 -0.362 0.000 0.778 415 Y N -1.123 119.156 120.300 -0.035 0.000 2.561 415 Y HA 0.145 4.711 4.550 0.028 0.000 0.291 415 Y C 2.404 178.275 175.900 -0.047 0.000 1.141 415 Y CA 1.077 59.146 58.100 -0.051 0.000 1.303 415 Y CB -0.881 37.541 38.460 -0.065 0.000 1.015 415 Y HN -0.036 nan 8.280 nan 0.000 0.547 416 G N 0.006 108.841 108.800 0.058 0.000 3.337 416 G HA2 -0.008 3.969 3.960 0.028 0.000 0.246 416 G HA3 -0.008 3.969 3.960 0.028 0.000 0.246 416 G C 1.443 176.335 174.900 -0.014 0.000 1.131 416 G CA -0.166 44.947 45.100 0.022 0.000 0.773 416 G HN 0.428 nan 8.290 nan 0.000 0.544 417 K N 0.357 120.737 120.400 -0.032 0.000 2.057 417 K HA -0.031 4.306 4.320 0.028 0.000 0.207 417 K C 1.249 177.826 176.600 -0.038 0.000 1.049 417 K CA 1.018 57.279 56.287 -0.044 0.000 0.931 417 K CB -0.183 32.281 32.500 -0.061 0.000 0.714 417 K HN 0.031 nan 8.250 nan 0.000 0.440 418 N N 1.197 119.876 118.700 -0.035 0.000 2.370 418 N HA 0.102 4.859 4.740 0.028 0.000 0.198 418 N C -0.359 175.125 175.510 -0.045 0.000 1.156 418 N CA 0.353 53.380 53.050 -0.038 0.000 0.839 418 N CB 0.585 39.048 38.487 -0.040 0.000 0.989 418 N HN 0.327 nan 8.380 nan 0.000 0.468 419 A N 0.098 122.898 122.820 -0.033 0.000 2.303 419 A HA 0.669 5.006 4.320 0.028 0.000 0.317 419 A C 0.049 177.611 177.584 -0.036 0.000 1.149 419 A CA -0.136 51.886 52.037 -0.025 0.000 0.822 419 A CB 0.921 19.919 19.000 -0.004 0.000 1.131 419 A HN 0.037 nan 8.150 nan 0.000 0.493 420 T N 1.046 115.591 114.554 -0.015 0.000 2.921 420 T HA 0.488 4.854 4.350 0.028 0.000 0.297 420 T C -0.794 173.805 174.700 -0.168 0.000 1.013 420 T CA -0.336 61.680 62.100 -0.141 0.000 0.990 420 T CB 1.437 70.189 68.868 -0.193 0.000 1.023 420 T HN 0.459 nan 8.240 nan 0.000 0.447 421 V N 3.818 123.575 119.914 -0.262 0.000 2.439 421 V HA 0.493 4.629 4.120 0.028 0.000 0.282 421 V C -1.174 174.773 176.094 -0.246 0.000 1.039 421 V CA -0.637 61.597 62.300 -0.109 0.000 0.913 421 V CB 0.602 32.370 31.823 -0.092 0.000 0.983 421 V HN 0.800 nan 8.190 nan 0.000 0.460 422 Y N 4.968 125.404 120.300 0.227 0.000 2.376 422 Y HA 0.719 5.287 4.550 0.029 0.000 0.340 422 Y C 0.203 176.249 175.900 0.243 0.000 0.965 422 Y CA -0.900 57.326 58.100 0.209 0.000 1.078 422 Y CB 1.746 40.326 38.460 0.199 0.000 1.193 422 Y HN 0.604 nan 8.280 nan 0.000 0.452 423 I N -1.153 119.615 120.570 0.329 0.000 2.646 423 I HA 0.877 5.064 4.170 0.028 0.000 0.299 423 I C 0.809 177.067 176.117 0.235 0.000 1.036 423 I CA -0.942 60.521 61.300 0.270 0.000 1.074 423 I CB 2.150 40.298 38.000 0.247 0.000 1.258 423 I HN 0.739 nan 8.210 nan 0.000 0.430 424 G N 3.048 112.002 108.800 0.258 0.000 2.184 424 G HA2 -0.211 3.765 3.960 0.028 0.000 0.264 424 G HA3 -0.211 3.765 3.960 0.028 0.000 0.264 424 G C 0.028 175.053 174.900 0.207 0.000 0.975 424 G CA 0.020 45.299 45.100 0.298 0.000 0.642 424 G HN 0.644 nan 8.290 nan 0.000 0.536 425 K N 1.398 121.857 120.400 0.098 0.000 2.182 425 K HA 0.495 4.832 4.320 0.028 0.000 0.262 425 K C 0.141 176.590 176.600 -0.252 0.000 0.957 425 K CA -0.228 56.057 56.287 -0.002 0.000 0.842 425 K CB 1.862 34.319 32.500 -0.071 0.000 1.099 425 K HN 0.490 nan 8.250 nan 0.000 0.438 426 D N 0.626 120.853 120.400 -0.289 0.000 2.478 426 D HA 0.108 4.765 4.640 0.028 0.000 0.269 426 D C 1.222 177.345 176.300 -0.294 0.000 1.232 426 D CA -0.633 53.078 54.000 -0.482 0.000 1.059 426 D CB 0.544 41.068 40.800 -0.460 0.000 1.104 426 D HN 0.286 nan 8.370 nan 0.000 0.566 427 L N -1.208 119.834 121.223 -0.302 0.000 2.201 427 L HA -0.030 4.327 4.340 0.028 0.000 0.212 427 L C 2.043 178.817 176.870 -0.160 0.000 1.105 427 L CA 0.561 55.209 54.840 -0.321 0.000 0.775 427 L CB -0.356 41.500 42.059 -0.338 0.000 0.913 427 L HN 0.542 nan 8.230 nan 0.000 0.440 428 W N 0.786 121.900 121.300 -0.309 0.000 2.402 428 W HA -0.163 4.512 4.660 0.026 0.000 0.286 428 W C 2.208 178.588 176.519 -0.233 0.000 1.221 428 W CA 1.321 58.515 57.345 -0.252 0.000 1.257 428 W CB -0.117 29.164 29.460 -0.299 0.000 1.120 428 W HN 0.314 nan 8.180 nan 0.000 0.551 429 H N -0.219 118.680 119.070 -0.286 0.000 2.357 429 H HA -0.210 4.363 4.556 0.028 0.000 0.301 429 H C 2.175 177.299 175.328 -0.341 0.000 1.082 429 H CA 1.671 57.418 56.048 -0.501 0.000 1.342 429 H CB -0.264 29.083 29.762 -0.693 0.000 1.389 429 H HN 0.062 nan 8.280 nan 0.000 0.511 430 L N 1.115 122.221 121.223 -0.195 0.000 2.141 430 L HA -0.122 4.234 4.340 0.028 0.000 0.209 430 L C 2.414 179.126 176.870 -0.263 0.000 1.094 430 L CA 1.361 56.054 54.840 -0.245 0.000 0.763 430 L CB -0.363 41.524 42.059 -0.287 0.000 0.908 430 L HN 0.084 nan 8.230 nan 0.000 0.437 431 R N -1.130 119.190 120.500 -0.301 0.000 2.081 431 R HA -0.141 4.215 4.340 0.028 0.000 0.235 431 R C 2.183 178.347 176.300 -0.227 0.000 1.131 431 R CA 1.719 57.628 56.100 -0.319 0.000 0.960 431 R CB -0.275 29.721 30.300 -0.508 0.000 0.856 431 R HN 0.413 nan 8.270 nan 0.000 0.436 432 S N 0.866 116.425 115.700 -0.235 0.000 2.383 432 S HA -0.041 4.446 4.470 0.028 0.000 0.227 432 S C 1.865 176.426 174.600 -0.065 0.000 1.026 432 S CA 1.009 59.155 58.200 -0.089 0.000 0.981 432 S CB -0.112 63.084 63.200 -0.008 0.000 0.818 432 S HN 0.280 nan 8.310 nan 0.000 0.472 433 L N 1.490 122.613 121.223 -0.167 0.000 2.046 433 L HA -0.112 4.245 4.340 0.028 0.000 0.208 433 L C 2.533 179.217 176.870 -0.309 0.000 1.077 433 L CA 1.269 55.890 54.840 -0.365 0.000 0.747 433 L CB -0.981 40.612 42.059 -0.777 0.000 0.896 433 L HN 0.331 nan 8.230 nan 0.000 0.432 434 V N -4.270 115.494 119.914 -0.250 0.000 2.515 434 V HA -0.212 3.925 4.120 0.028 0.000 0.250 434 V C 2.265 178.290 176.094 -0.116 0.000 1.058 434 V CA 1.281 63.495 62.300 -0.143 0.000 1.064 434 V CB -0.934 30.782 31.823 -0.178 0.000 0.675 434 V HN 0.141 nan 8.190 nan 0.000 0.461 435 F N 2.635 122.520 119.950 -0.110 0.000 2.163 435 F HA -0.042 4.499 4.527 0.025 0.000 0.297 435 F C 2.946 178.694 175.800 -0.088 0.000 1.094 435 F CA 2.135 60.063 58.000 -0.121 0.000 1.290 435 F CB -1.044 37.819 39.000 -0.229 0.000 1.017 435 F HN 0.358 nan 8.300 nan 0.000 0.483 436 T N -3.077 111.543 114.554 0.110 0.000 2.812 436 T HA -0.139 4.228 4.350 0.028 0.000 0.264 436 T C 0.737 175.485 174.700 0.080 0.000 1.042 436 T CA 1.382 63.515 62.100 0.055 0.000 1.140 436 T CB -0.226 68.647 68.868 0.008 0.000 0.870 436 T HN 0.069 nan 8.240 nan 0.000 0.445 437 D N 0.826 121.300 120.400 0.122 0.000 2.513 437 D HA 0.219 4.876 4.640 0.028 0.000 0.295 437 D C -0.722 175.708 176.300 0.216 0.000 1.202 437 D CA -0.550 53.550 54.000 0.168 0.000 0.849 437 D CB 0.364 41.302 40.800 0.229 0.000 1.116 437 D HN 0.298 nan 8.370 nan 0.000 0.502 438 K N 3.021 123.498 120.400 0.129 0.000 2.453 438 K HA 0.134 4.471 4.320 0.028 0.000 0.280 438 K C -2.176 174.449 176.600 0.042 0.000 1.045 438 K CA -0.760 55.579 56.287 0.085 0.000 1.059 438 K CB 0.580 33.126 32.500 0.076 0.000 0.901 438 K HN 0.253 nan 8.250 nan 0.000 0.475 439 P HA 0.162 nan 4.420 nan 0.000 0.284 439 P C -0.441 176.768 177.300 -0.151 0.000 1.287 439 P CA -0.432 62.645 63.100 -0.037 0.000 0.824 439 P CB 0.983 32.714 31.700 0.052 0.000 1.180 440 D N -0.633 119.608 120.400 -0.266 0.000 2.123 440 D HA 0.040 4.697 4.640 0.028 0.000 0.200 440 D C 0.354 176.146 176.300 -0.846 0.000 0.976 440 D CA 1.669 55.362 54.000 -0.510 0.000 0.831 440 D CB -0.014 40.556 40.800 -0.384 0.000 0.974 440 D HN 0.323 nan 8.370 nan 0.000 0.469 441 F N -1.003 118.810 119.950 -0.228 0.000 2.664 441 F HA 0.451 4.996 4.527 0.029 0.000 0.317 441 F C -0.102 175.807 175.800 0.181 0.000 1.108 441 F CA -0.988 57.005 58.000 -0.010 0.000 0.957 441 F CB 1.672 40.714 39.000 0.071 0.000 1.365 441 F HN -0.423 nan 8.300 nan 0.000 0.475 442 M N 2.326 122.192 119.600 0.443 0.000 2.383 442 M HA 0.584 5.081 4.480 0.028 0.000 0.325 442 M C -1.439 175.025 176.300 0.273 0.000 1.092 442 M CA -0.452 55.084 55.300 0.394 0.000 0.961 442 M CB 2.318 35.158 32.600 0.400 0.000 1.672 442 M HN 0.377 nan 8.290 nan 0.000 0.438 443 I N 2.232 122.871 120.570 0.114 0.000 2.439 443 I HA 0.774 4.961 4.170 0.028 0.000 0.285 443 I C 0.121 175.931 176.117 -0.511 0.000 1.021 443 I CA -0.349 60.904 61.300 -0.080 0.000 1.091 443 I CB 1.810 39.782 38.000 -0.047 0.000 1.242 443 I HN 0.860 nan 8.210 nan 0.000 0.439 444 G N 4.411 112.755 108.800 -0.760 0.000 2.490 444 G HA2 0.239 4.215 3.960 0.028 0.000 0.308 444 G HA3 0.239 4.215 3.960 0.028 0.000 0.308 444 G C -1.525 172.970 174.900 -0.676 0.000 1.286 444 G CA -0.711 43.455 45.100 -1.557 0.000 0.825 444 G HN 0.583 nan 8.290 nan 0.000 0.479 445 N N -0.858 117.601 118.700 -0.401 0.000 2.431 445 N HA 0.338 5.095 4.740 0.028 0.000 0.289 445 N C 1.338 176.824 175.510 -0.039 0.000 1.277 445 N CA 0.412 53.374 53.050 -0.146 0.000 0.972 445 N CB 0.289 38.686 38.487 -0.151 0.000 1.143 445 N HN 0.262 nan 8.380 nan 0.000 0.578 446 S N -1.558 113.989 115.700 -0.255 0.000 2.400 446 S HA -0.123 4.364 4.470 0.028 0.000 0.232 446 S C 1.365 175.908 174.600 -0.096 0.000 1.025 446 S CA 0.849 58.905 58.200 -0.240 0.000 0.993 446 S CB -0.782 62.180 63.200 -0.397 0.000 0.808 446 S HN 0.484 nan 8.310 nan 0.000 0.478 447 Y N 1.684 122.069 120.300 0.142 0.000 2.298 447 Y HA -0.110 4.456 4.550 0.027 0.000 0.287 447 Y C 2.567 178.609 175.900 0.237 0.000 1.164 447 Y CA 0.438 58.678 58.100 0.233 0.000 1.229 447 Y CB -1.264 37.343 38.460 0.246 0.000 0.977 447 Y HN 0.338 nan 8.280 nan 0.000 0.538 448 G N 0.386 109.486 108.800 0.499 0.000 2.509 448 G HA2 -0.257 3.720 3.960 0.028 0.000 0.218 448 G HA3 -0.257 3.720 3.960 0.028 0.000 0.218 448 G C 1.709 176.727 174.900 0.198 0.000 1.124 448 G CA 0.880 46.267 45.100 0.478 0.000 0.776 448 G HN 0.553 nan 8.290 nan 0.000 0.547 449 K N -0.442 119.952 120.400 -0.010 0.000 2.209 449 K HA -0.019 4.318 4.320 0.028 0.000 0.204 449 K C 1.834 178.335 176.600 -0.166 0.000 1.048 449 K CA 0.964 57.160 56.287 -0.152 0.000 0.940 449 K CB -0.444 31.871 32.500 -0.310 0.000 0.729 449 K HN 0.224 nan 8.250 nan 0.000 0.451 450 F N 1.957 121.999 119.950 0.153 0.000 2.234 450 F HA 0.027 4.569 4.527 0.026 0.000 0.299 450 F C 2.120 177.995 175.800 0.126 0.000 1.087 450 F CA 0.516 58.600 58.000 0.141 0.000 1.340 450 F CB -0.340 38.757 39.000 0.163 0.000 1.031 450 F HN -0.080 nan 8.300 nan 0.000 0.500 451 I N -0.425 120.288 120.570 0.239 0.000 2.252 451 I HA -0.302 3.885 4.170 0.028 0.000 0.245 451 I C 2.559 178.717 176.117 0.068 0.000 1.102 451 I CA 1.339 62.709 61.300 0.116 0.000 1.385 451 I CB -0.571 37.450 38.000 0.034 0.000 1.064 451 I HN 0.179 nan 8.210 nan 0.000 0.414 452 Q N 1.106 120.952 119.800 0.076 0.000 2.124 452 Q HA -0.255 4.102 4.340 0.028 0.000 0.202 452 Q C 2.471 178.517 176.000 0.078 0.000 0.977 452 Q CA 1.427 57.260 55.803 0.049 0.000 0.850 452 Q CB -0.090 28.678 28.738 0.050 0.000 0.901 452 Q HN 0.258 nan 8.270 nan 0.000 0.429 453 R N 0.508 121.075 120.500 0.113 0.000 2.081 453 R HA -0.157 4.199 4.340 0.028 0.000 0.235 453 R C 1.161 177.582 176.300 0.202 0.000 1.131 453 R CA 1.937 58.121 56.100 0.140 0.000 0.960 453 R CB -0.333 30.073 30.300 0.177 0.000 0.856 453 R HN 0.387 nan 8.270 nan 0.000 0.436 454 D N -0.392 120.165 120.400 0.262 0.000 2.117 454 D HA -0.112 4.545 4.640 0.028 0.000 0.198 454 D C 1.890 178.527 176.300 0.562 0.000 0.982 454 D CA 2.160 56.431 54.000 0.450 0.000 0.828 454 D CB -0.410 40.683 40.800 0.488 0.000 0.967 454 D HN 0.457 nan 8.370 nan 0.000 0.464 455 T N -0.426 114.226 114.554 0.162 0.000 2.777 455 T HA -0.144 4.223 4.350 0.028 0.000 0.266 455 T C 2.016 176.867 174.700 0.252 0.000 1.040 455 T CA 0.697 62.802 62.100 0.007 0.000 1.141 455 T CB -0.530 68.171 68.868 -0.280 0.000 0.868 455 T HN 0.063 nan 8.240 nan 0.000 0.444 456 L N 1.038 122.376 121.223 0.192 0.000 2.141 456 L HA 0.061 4.418 4.340 0.028 0.000 0.209 456 L C 2.437 179.432 176.870 0.209 0.000 1.094 456 L CA 1.851 56.797 54.840 0.176 0.000 0.763 456 L CB -1.065 41.063 42.059 0.115 0.000 0.908 456 L HN 0.414 nan 8.230 nan 0.000 0.437 457 H N -0.139 118.999 119.070 0.114 0.000 2.421 457 H HA -0.186 4.383 4.556 0.021 0.000 0.298 457 H C 2.272 177.620 175.328 0.033 0.000 1.087 457 H CA 2.187 58.213 56.048 -0.035 0.000 1.330 457 H CB 0.039 29.630 29.762 -0.285 0.000 1.388 457 H HN 0.402 nan 8.280 nan 0.000 0.526 458 K N -0.566 119.940 120.400 0.176 0.000 2.057 458 K HA 0.042 4.379 4.320 0.028 0.000 0.206 458 K C 0.184 176.923 176.600 0.231 0.000 1.050 458 K CA 1.086 57.491 56.287 0.196 0.000 0.935 458 K CB 0.045 32.722 32.500 0.295 0.000 0.715 458 K HN 0.422 nan 8.250 nan 0.000 0.439 459 G N -0.238 108.814 108.800 0.420 0.000 2.442 459 G HA2 0.082 4.059 3.960 0.028 0.000 0.296 459 G HA3 0.082 4.059 3.960 0.028 0.000 0.296 459 G C -0.850 174.207 174.900 0.262 0.000 1.564 459 G CA -0.537 44.821 45.100 0.430 0.000 0.828 459 G HN -0.023 nan 8.290 nan 0.000 0.571 460 K N 0.420 120.877 120.400 0.095 0.000 2.148 460 K HA -0.065 4.271 4.320 0.028 0.000 0.204 460 K C 2.255 178.817 176.600 -0.063 0.000 1.050 460 K CA 2.299 58.598 56.287 0.021 0.000 0.942 460 K CB 0.167 32.665 32.500 -0.003 0.000 0.724 460 K HN 0.587 nan 8.250 nan 0.000 0.446 461 E N -0.597 119.486 120.200 -0.194 0.000 2.358 461 E HA -0.143 4.224 4.350 0.028 0.000 0.195 461 E C 1.003 177.347 176.600 -0.426 0.000 1.010 461 E CA 0.855 57.035 56.400 -0.368 0.000 0.856 461 E CB -0.231 29.142 29.700 -0.545 0.000 0.795 461 E HN 0.374 nan 8.360 nan 0.000 0.504 462 F N 1.664 121.618 119.950 0.007 0.000 2.749 462 F HA 0.220 4.761 4.527 0.022 0.000 0.300 462 F C 1.104 176.877 175.800 -0.046 0.000 1.103 462 F CA -0.489 57.517 58.000 0.010 0.000 1.342 462 F CB 0.063 39.127 39.000 0.107 0.000 1.098 462 F HN -0.073 nan 8.300 nan 0.000 0.586 463 E N 1.950 122.207 120.200 0.094 0.000 2.480 463 E HA 0.134 4.501 4.350 0.028 0.000 0.258 463 E C -0.864 175.691 176.600 -0.076 0.000 0.984 463 E CA -0.063 56.347 56.400 0.017 0.000 0.930 463 E CB 0.680 30.386 29.700 0.011 0.000 0.936 463 E HN -0.069 nan 8.360 nan 0.000 0.466 464 V N 7.854 127.712 119.914 -0.093 0.000 2.311 464 V HA 0.273 4.410 4.120 0.028 0.000 0.275 464 V C -2.160 173.895 176.094 -0.065 0.000 1.022 464 V CA -1.889 60.329 62.300 -0.137 0.000 0.830 464 V CB 1.126 32.886 31.823 -0.106 0.000 1.012 464 V HN 0.754 nan 8.190 nan 0.000 0.452 465 P HA 0.188 nan 4.420 nan 0.000 0.271 465 P C -0.702 176.739 177.300 0.234 0.000 1.218 465 P CA -0.397 62.761 63.100 0.097 0.000 0.780 465 P CB 0.693 32.501 31.700 0.180 0.000 0.901 466 L N 4.341 125.675 121.223 0.185 0.000 2.264 466 L HA 0.404 4.760 4.340 0.028 0.000 0.289 466 L C -0.837 176.119 176.870 0.144 0.000 1.044 466 L CA -0.065 54.883 54.840 0.181 0.000 0.807 466 L CB -0.153 41.987 42.059 0.136 0.000 1.192 466 L HN 0.240 nan 8.230 nan 0.000 0.425 467 I N 5.748 126.398 120.570 0.134 0.000 2.304 467 I HA 0.344 4.530 4.170 0.028 0.000 0.291 467 I C 0.193 176.308 176.117 -0.003 0.000 1.018 467 I CA -0.494 60.839 61.300 0.056 0.000 1.260 467 I CB 0.702 38.727 38.000 0.042 0.000 1.390 467 I HN 0.533 nan 8.210 nan 0.000 0.475 468 R N 7.589 128.084 120.500 -0.009 0.000 2.248 468 R HA 0.555 4.912 4.340 0.028 0.000 0.337 468 R C -0.884 175.420 176.300 0.007 0.000 1.106 468 R CA 0.063 56.145 56.100 -0.030 0.000 0.959 468 R CB 0.210 30.494 30.300 -0.028 0.000 1.075 468 R HN 0.546 nan 8.270 nan 0.000 0.480 469 I N 1.750 122.320 120.570 -0.000 0.000 2.571 469 I HA 0.582 4.768 4.170 0.028 0.000 0.289 469 I C 0.448 176.579 176.117 0.022 0.000 1.115 469 I CA -0.591 60.783 61.300 0.123 0.000 1.045 469 I CB 2.291 40.391 38.000 0.166 0.000 1.238 469 I HN 0.797 nan 8.210 nan 0.000 0.424 470 G N 4.883 113.716 108.800 0.055 0.000 2.298 470 G HA2 0.095 4.072 3.960 0.028 0.000 0.309 470 G HA3 0.095 4.072 3.960 0.028 0.000 0.309 470 G C -2.007 172.788 174.900 -0.176 0.000 1.279 470 G CA -0.709 44.197 45.100 -0.324 0.000 1.042 470 G HN 0.589 nan 8.290 nan 0.000 0.480 471 F N 1.973 121.699 119.950 -0.374 0.000 2.601 471 F HA 0.788 5.332 4.527 0.029 0.000 0.309 471 F C -2.261 173.333 175.800 -0.345 0.000 1.089 471 F CA -1.881 55.859 58.000 -0.434 0.000 0.940 471 F CB 2.634 41.388 39.000 -0.409 0.000 1.273 471 F HN 0.512 nan 8.300 nan 0.000 0.450 472 P HA 0.345 nan 4.420 nan 0.000 0.279 472 P C -0.951 175.637 177.300 -1.185 0.000 1.239 472 P CA -0.025 61.959 63.100 -1.860 0.000 0.789 472 P CB 1.877 31.973 31.700 -2.674 0.000 0.933 473 I N 3.470 123.643 120.570 -0.661 0.000 2.405 473 I HA 0.191 4.378 4.170 0.028 0.000 0.280 473 I C 0.271 176.131 176.117 -0.429 0.000 1.027 473 I CA -0.479 60.534 61.300 -0.477 0.000 1.161 473 I CB 0.636 38.506 38.000 -0.216 0.000 1.300 473 I HN 0.197 nan 8.210 nan 0.000 0.463 474 F N 2.319 122.116 119.950 -0.254 0.000 2.720 474 F HA 0.065 4.608 4.527 0.027 0.000 0.301 474 F C 1.698 177.418 175.800 -0.133 0.000 1.103 474 F CA -0.358 57.512 58.000 -0.218 0.000 1.291 474 F CB -0.154 38.705 39.000 -0.235 0.000 1.086 474 F HN 0.466 nan 8.300 nan 0.000 0.592 475 D N -1.022 119.402 120.400 0.041 0.000 2.363 475 D HA 0.092 4.749 4.640 0.028 0.000 0.214 475 D C 0.625 176.955 176.300 0.050 0.000 1.093 475 D CA 0.247 54.270 54.000 0.038 0.000 0.837 475 D CB 0.260 41.053 40.800 -0.012 0.000 0.948 475 D HN -0.075 nan 8.370 nan 0.000 0.507 476 R N -0.148 120.386 120.500 0.057 0.000 2.837 476 R HA 0.406 4.763 4.340 0.028 0.000 0.271 476 R C -0.684 175.698 176.300 0.136 0.000 0.993 476 R CA -0.603 55.544 56.100 0.078 0.000 0.931 476 R CB 1.140 31.455 30.300 0.025 0.000 1.206 476 R HN 0.236 nan 8.270 nan 0.000 0.474 477 H N 2.082 121.086 119.070 -0.110 0.000 2.467 477 H HA 0.221 4.794 4.556 0.028 0.000 0.326 477 H C -0.111 175.081 175.328 -0.227 0.000 1.094 477 H CA -0.442 55.437 56.048 -0.281 0.000 1.253 477 H CB 0.967 30.517 29.762 -0.353 0.000 1.439 477 H HN 0.602 nan 8.280 nan 0.000 0.479 478 H N 1.980 121.126 119.070 0.127 0.000 2.899 478 H HA -0.176 4.397 4.556 0.028 0.000 0.282 478 H C 1.044 176.316 175.328 -0.094 0.000 1.198 478 H CA 0.445 56.488 56.048 -0.008 0.000 1.140 478 H CB -1.489 28.261 29.762 -0.021 0.000 1.317 478 H HN 0.684 nan 8.280 nan 0.000 0.375 479 L N 0.789 122.050 121.223 0.064 0.000 2.395 479 L HA -0.088 4.269 4.340 0.028 0.000 0.218 479 L C 2.665 179.636 176.870 0.168 0.000 1.130 479 L CA 1.129 56.027 54.840 0.096 0.000 0.826 479 L CB -0.409 41.712 42.059 0.103 0.000 0.941 479 L HN 0.499 nan 8.230 nan 0.000 0.451 480 H N 0.065 119.151 119.070 0.026 0.000 2.567 480 H HA -0.064 4.509 4.556 0.028 0.000 0.276 480 H C 1.380 176.875 175.328 0.279 0.000 1.016 480 H CA 0.392 56.475 56.048 0.059 0.000 1.186 480 H CB -0.222 29.434 29.762 -0.178 0.000 1.351 480 H HN 0.376 nan 8.280 nan 0.000 0.605 481 R N 0.755 121.176 120.500 -0.132 0.000 2.334 481 R HA 0.180 4.537 4.340 0.028 0.000 0.216 481 R C 0.362 176.709 176.300 0.078 0.000 0.905 481 R CA -0.113 55.962 56.100 -0.043 0.000 1.064 481 R CB 0.571 30.779 30.300 -0.152 0.000 1.046 481 R HN 0.084 nan 8.270 nan 0.000 0.508 482 S N 0.381 116.168 115.700 0.145 0.000 2.634 482 S HA 0.216 4.702 4.470 0.028 0.000 0.261 482 S C 0.300 174.883 174.600 -0.028 0.000 1.271 482 S CA -0.029 58.187 58.200 0.026 0.000 0.985 482 S CB 1.389 64.541 63.200 -0.079 0.000 0.968 482 S HN 0.021 nan 8.310 nan 0.000 0.568 483 T N 0.806 115.273 114.554 -0.145 0.000 2.876 483 T HA 0.509 4.876 4.350 0.028 0.000 0.289 483 T C 0.865 175.410 174.700 -0.259 0.000 1.014 483 T CA -0.691 61.321 62.100 -0.146 0.000 0.986 483 T CB 1.666 70.482 68.868 -0.087 0.000 1.021 483 T HN 0.738 nan 8.240 nan 0.000 0.458 484 T N -0.324 114.082 114.554 -0.248 0.000 2.959 484 T HA 0.372 4.739 4.350 0.028 0.000 0.254 484 T C 0.600 175.183 174.700 -0.195 0.000 1.003 484 T CA -0.187 61.778 62.100 -0.225 0.000 0.950 484 T CB -0.082 68.696 68.868 -0.150 0.000 1.090 484 T HN 0.349 nan 8.240 nan 0.000 0.503 485 L N 1.889 123.002 121.223 -0.184 0.000 2.421 485 L HA 0.608 4.965 4.340 0.028 0.000 0.263 485 L C 1.519 178.227 176.870 -0.269 0.000 1.122 485 L CA 0.135 54.837 54.840 -0.230 0.000 0.804 485 L CB 0.147 42.056 42.059 -0.250 0.000 1.150 485 L HN 0.587 nan 8.230 nan 0.000 0.457 486 G N 0.280 108.876 108.800 -0.340 0.000 2.641 486 G HA2 -0.336 3.641 3.960 0.028 0.000 0.254 486 G HA3 -0.336 3.641 3.960 0.028 0.000 0.254 486 G C 0.082 174.777 174.900 -0.341 0.000 1.315 486 G CA 0.488 45.333 45.100 -0.426 0.000 0.907 486 G HN 0.566 nan 8.290 nan 0.000 0.572 487 Y N 0.347 120.567 120.300 -0.133 0.000 2.200 487 Y HA 0.041 4.607 4.550 0.028 0.000 0.290 487 Y C 2.877 178.704 175.900 -0.122 0.000 1.137 487 Y CA 1.900 59.927 58.100 -0.122 0.000 1.163 487 Y CB -0.570 37.850 38.460 -0.066 0.000 0.988 487 Y HN 0.759 nan 8.280 nan 0.000 0.518 488 E N -0.135 120.087 120.200 0.037 0.000 2.077 488 E HA -0.141 4.226 4.350 0.028 0.000 0.193 488 E C 2.512 179.070 176.600 -0.070 0.000 0.989 488 E CA 1.104 57.498 56.400 -0.010 0.000 0.800 488 E CB -0.464 29.225 29.700 -0.019 0.000 0.746 488 E HN 0.480 nan 8.360 nan 0.000 0.452 489 G N 0.635 109.357 108.800 -0.130 0.000 2.402 489 G HA2 -0.219 3.757 3.960 0.028 0.000 0.216 489 G HA3 -0.219 3.757 3.960 0.028 0.000 0.216 489 G C 1.659 176.435 174.900 -0.206 0.000 1.162 489 G CA 0.815 45.809 45.100 -0.177 0.000 0.777 489 G HN 0.401 nan 8.290 nan 0.000 0.539 490 A N 0.656 123.305 122.820 -0.285 0.000 1.933 490 A HA 0.011 4.348 4.320 0.028 0.000 0.218 490 A C 2.460 180.002 177.584 -0.070 0.000 1.175 490 A CA 1.815 53.582 52.037 -0.449 0.000 0.628 490 A CB -0.350 18.299 19.000 -0.585 0.000 0.814 490 A HN 0.394 nan 8.150 nan 0.000 0.444 491 M N -1.215 118.374 119.600 -0.019 0.000 2.132 491 M HA -0.193 4.304 4.480 0.028 0.000 0.263 491 M C 2.471 178.783 176.300 0.020 0.000 1.065 491 M CA 1.566 56.886 55.300 0.034 0.000 1.122 491 M CB -0.415 32.196 32.600 0.017 0.000 1.365 491 M HN 0.484 nan 8.290 nan 0.000 0.411 492 Q N 0.331 120.119 119.800 -0.020 0.000 2.079 492 Q HA -0.115 4.242 4.340 0.028 0.000 0.200 492 Q C 2.030 178.015 176.000 -0.025 0.000 0.974 492 Q CA 1.295 57.077 55.803 -0.035 0.000 0.840 492 Q CB -0.107 28.588 28.738 -0.071 0.000 0.898 492 Q HN 0.548 nan 8.270 nan 0.000 0.430 493 I N 0.585 121.147 120.570 -0.012 0.000 2.252 493 I HA -0.274 3.913 4.170 0.028 0.000 0.245 493 I C 2.368 178.529 176.117 0.073 0.000 1.102 493 I CA 0.751 62.069 61.300 0.029 0.000 1.385 493 I CB -0.187 37.850 38.000 0.063 0.000 1.064 493 I HN 0.253 nan 8.210 nan 0.000 0.414 494 L N 0.296 121.616 121.223 0.162 0.000 2.012 494 L HA -0.241 4.115 4.340 0.028 0.000 0.210 494 L C 2.567 179.438 176.870 0.002 0.000 1.073 494 L CA 1.787 56.673 54.840 0.076 0.000 0.748 494 L CB -0.374 41.770 42.059 0.142 0.000 0.891 494 L HN 0.230 nan 8.230 nan 0.000 0.431 495 T N -1.031 113.528 114.554 0.008 0.000 2.746 495 T HA -0.174 4.193 4.350 0.028 0.000 0.267 495 T C 1.736 176.410 174.700 -0.044 0.000 1.039 495 T CA 1.912 64.001 62.100 -0.017 0.000 1.142 495 T CB -0.386 68.475 68.868 -0.012 0.000 0.866 495 T HN 0.432 nan 8.240 nan 0.000 0.444 496 T N 2.362 116.888 114.554 -0.046 0.000 2.746 496 T HA 0.065 4.432 4.350 0.028 0.000 0.267 496 T C 1.991 176.630 174.700 -0.102 0.000 1.039 496 T CA 0.830 62.891 62.100 -0.066 0.000 1.142 496 T CB -0.410 68.423 68.868 -0.058 0.000 0.866 496 T HN 0.236 nan 8.240 nan 0.000 0.444 497 L N 0.414 121.571 121.223 -0.110 0.000 2.027 497 L HA -0.040 4.317 4.340 0.028 0.000 0.206 497 L C 2.698 179.486 176.870 -0.137 0.000 1.074 497 L CA 0.887 55.637 54.840 -0.149 0.000 0.745 497 L CB -0.624 41.331 42.059 -0.173 0.000 0.898 497 L HN 0.139 nan 8.230 nan 0.000 0.433 498 V N 0.381 120.241 119.914 -0.092 0.000 2.358 498 V HA -0.273 3.863 4.120 0.028 0.000 0.246 498 V C 1.914 177.925 176.094 -0.137 0.000 1.047 498 V CA 2.246 64.500 62.300 -0.076 0.000 1.035 498 V CB -0.406 31.402 31.823 -0.025 0.000 0.658 498 V HN 0.535 nan 8.190 nan 0.000 0.452 499 N N -0.495 118.130 118.700 -0.126 0.000 2.309 499 N HA -0.125 4.632 4.740 0.028 0.000 0.182 499 N C 1.896 177.317 175.510 -0.147 0.000 1.018 499 N CA 1.270 54.239 53.050 -0.134 0.000 0.876 499 N CB -0.101 38.329 38.487 -0.094 0.000 0.972 499 N HN 0.401 nan 8.380 nan 0.000 0.434 500 S N 0.884 116.472 115.700 -0.187 0.000 2.368 500 S HA -0.008 4.479 4.470 0.028 0.000 0.224 500 S C 1.918 176.381 174.600 -0.228 0.000 1.029 500 S CA 0.649 58.715 58.200 -0.222 0.000 0.988 500 S CB -0.105 62.865 63.200 -0.383 0.000 0.838 500 S HN 0.264 nan 8.310 nan 0.000 0.462 501 I N 1.342 121.730 120.570 -0.302 0.000 2.226 501 I HA -0.188 3.999 4.170 0.028 0.000 0.245 501 I C 1.979 178.022 176.117 -0.124 0.000 1.100 501 I CA 1.186 62.411 61.300 -0.124 0.000 1.374 501 I CB -0.315 37.633 38.000 -0.088 0.000 1.057 501 I HN 0.246 nan 8.210 nan 0.000 0.413 502 L N 0.056 121.129 121.223 -0.250 0.000 2.109 502 L HA -0.169 4.188 4.340 0.028 0.000 0.207 502 L C 2.543 179.302 176.870 -0.185 0.000 1.086 502 L CA 1.126 55.764 54.840 -0.336 0.000 0.760 502 L CB -0.503 41.322 42.059 -0.389 0.000 0.910 502 L HN 0.286 nan 8.230 nan 0.000 0.437 503 E N 0.469 120.605 120.200 -0.107 0.000 2.072 503 E HA -0.270 4.097 4.350 0.028 0.000 0.191 503 E C 2.287 178.887 176.600 0.002 0.000 0.985 503 E CA 0.923 57.295 56.400 -0.047 0.000 0.801 503 E CB 0.169 29.852 29.700 -0.027 0.000 0.750 503 E HN 0.145 nan 8.360 nan 0.000 0.452 504 R N 0.610 121.142 120.500 0.054 0.000 2.075 504 R HA -0.115 4.242 4.340 0.028 0.000 0.232 504 R C 2.306 178.623 176.300 0.029 0.000 1.126 504 R CA 1.194 57.349 56.100 0.093 0.000 0.963 504 R CB -0.880 29.570 30.300 0.250 0.000 0.858 504 R HN 0.309 nan 8.270 nan 0.000 0.435 505 L N 0.735 121.955 121.223 -0.005 0.000 2.046 505 L HA -0.113 4.244 4.340 0.028 0.000 0.208 505 L C 1.348 178.207 176.870 -0.019 0.000 1.077 505 L CA 2.104 56.921 54.840 -0.038 0.000 0.747 505 L CB -0.835 41.146 42.059 -0.129 0.000 0.896 505 L HN 0.177 nan 8.230 nan 0.000 0.432 506 D N -0.437 119.953 120.400 -0.016 0.000 2.144 506 D HA -0.224 4.433 4.640 0.028 0.000 0.199 506 D C 2.119 178.484 176.300 0.109 0.000 0.984 506 D CA 1.327 55.386 54.000 0.098 0.000 0.834 506 D CB 0.055 40.886 40.800 0.052 0.000 0.955 506 D HN 0.575 nan 8.370 nan 0.000 0.465 507 E N 0.506 120.728 120.200 0.036 0.000 2.110 507 E HA -0.173 4.194 4.350 0.028 0.000 0.193 507 E C 1.487 178.067 176.600 -0.034 0.000 0.988 507 E CA 0.888 57.288 56.400 0.001 0.000 0.804 507 E CB 0.110 29.811 29.700 0.003 0.000 0.745 507 E HN 0.325 nan 8.360 nan 0.000 0.458 508 E N -0.647 119.534 120.200 -0.032 0.000 2.427 508 E HA -0.075 4.292 4.350 0.028 0.000 0.196 508 E C 1.205 177.754 176.600 -0.084 0.000 1.028 508 E CA 1.260 57.627 56.400 -0.055 0.000 0.864 508 E CB 0.273 29.944 29.700 -0.048 0.000 0.813 508 E HN 0.300 nan 8.360 nan 0.000 0.514 509 T N -2.305 112.201 114.554 -0.078 0.000 3.174 509 T HA 0.222 4.589 4.350 0.028 0.000 0.269 509 T C 1.213 175.717 174.700 -0.328 0.000 1.017 509 T CA -0.481 61.539 62.100 -0.133 0.000 0.899 509 T CB 0.274 69.127 68.868 -0.024 0.000 1.077 509 T HN -0.097 nan 8.240 nan 0.000 0.552 510 R N 1.155 121.427 120.500 -0.380 0.000 2.317 510 R HA 0.340 4.697 4.340 0.028 0.000 0.208 510 R C 1.068 177.183 176.300 -0.309 0.000 0.914 510 R CA -0.105 55.641 56.100 -0.591 0.000 1.060 510 R CB -0.323 29.751 30.300 -0.377 0.000 1.015 510 R HN 0.422 nan 8.270 nan 0.000 0.498 511 G N 1.290 109.971 108.800 -0.198 0.000 2.360 511 G HA2 0.169 4.146 3.960 0.028 0.000 0.279 511 G HA3 0.169 4.146 3.960 0.028 0.000 0.279 511 G C -0.359 174.489 174.900 -0.087 0.000 1.189 511 G CA -0.500 44.534 45.100 -0.111 0.000 0.941 511 G HN 0.217 nan 8.290 nan 0.000 0.445 512 M N 2.544 122.105 119.600 -0.064 0.000 2.284 512 M HA 0.090 4.587 4.480 0.028 0.000 0.351 512 M C 1.132 177.431 176.300 -0.002 0.000 1.443 512 M CA 0.673 55.954 55.300 -0.033 0.000 1.031 512 M CB 0.142 32.728 32.600 -0.022 0.000 1.893 512 M HN 0.823 nan 8.290 nan 0.000 0.456 513 Q N 2.283 122.096 119.800 0.022 0.000 2.457 513 Q HA -0.310 4.046 4.340 0.028 0.000 0.283 513 Q C -0.686 175.351 176.000 0.062 0.000 1.234 513 Q CA 0.939 56.770 55.803 0.047 0.000 0.877 513 Q CB -1.177 27.580 28.738 0.031 0.000 1.250 513 Q HN 0.956 nan 8.270 nan 0.000 0.481 514 A N -1.633 121.231 122.820 0.074 0.000 1.749 514 A HA 0.175 4.512 4.320 0.028 0.000 0.187 514 A C 1.269 178.948 177.584 0.158 0.000 1.742 514 A CA 0.749 52.841 52.037 0.091 0.000 1.133 514 A CB 0.025 19.046 19.000 0.035 0.000 0.996 514 A HN 0.725 nan 8.150 nan 0.000 0.585 515 T N -1.459 113.108 114.554 0.022 0.000 3.003 515 T HA 0.085 4.451 4.350 0.028 0.000 0.261 515 T C 0.848 175.338 174.700 -0.351 0.000 1.003 515 T CA 0.987 62.994 62.100 -0.155 0.000 0.917 515 T CB 0.047 68.827 68.868 -0.148 0.000 1.084 515 T HN 0.389 nan 8.240 nan 0.000 0.522 516 D N 1.821 122.131 120.400 -0.150 0.000 2.392 516 D HA -0.160 4.497 4.640 0.028 0.000 0.228 516 D C 1.561 177.842 176.300 -0.032 0.000 1.003 516 D CA 0.355 54.285 54.000 -0.115 0.000 0.917 516 D CB -0.786 39.960 40.800 -0.091 0.000 0.890 516 D HN 0.715 nan 8.370 nan 0.000 0.532 517 Y N 0.011 120.338 120.300 0.045 0.000 2.421 517 Y HA 0.058 4.624 4.550 0.027 0.000 0.292 517 Y C 1.333 177.272 175.900 0.066 0.000 1.136 517 Y CA 0.867 58.996 58.100 0.048 0.000 1.255 517 Y CB -1.024 37.455 38.460 0.031 0.000 0.991 517 Y HN -0.041 nan 8.280 nan 0.000 0.552 518 N N -0.349 118.080 118.700 -0.452 0.000 2.238 518 N HA -0.030 4.726 4.740 0.028 0.000 0.222 518 N C -0.709 174.771 175.510 -0.050 0.000 1.133 518 N CA -0.187 52.735 53.050 -0.214 0.000 0.854 518 N CB -0.464 37.817 38.487 -0.343 0.000 1.041 518 N HN 0.349 nan 8.380 nan 0.000 0.510 519 H N 0.384 119.378 119.070 -0.128 0.000 2.820 519 H HA 0.250 4.825 4.556 0.031 0.000 0.248 519 H C -0.944 174.363 175.328 -0.036 0.000 1.714 519 H CA -0.646 55.353 56.048 -0.083 0.000 1.334 519 H CB -0.696 29.022 29.762 -0.073 0.000 1.693 519 H HN 0.117 nan 8.280 nan 0.000 0.548 520 D N 2.590 122.941 120.400 -0.082 0.000 2.350 520 D HA -0.039 4.618 4.640 0.028 0.000 0.249 520 D C 1.403 177.627 176.300 -0.127 0.000 1.119 520 D CA -0.364 53.599 54.000 -0.062 0.000 0.886 520 D CB 1.395 42.199 40.800 0.006 0.000 1.195 520 D HN 0.396 nan 8.370 nan 0.000 0.437 521 L N 3.038 124.215 121.223 -0.077 0.000 2.027 521 L HA -0.017 4.340 4.340 0.028 0.000 0.206 521 L C 0.167 177.004 176.870 -0.055 0.000 1.074 521 L CA 1.428 56.222 54.840 -0.077 0.000 0.745 521 L CB 0.271 42.308 42.059 -0.037 0.000 0.898 521 L HN 0.217 nan 8.230 nan 0.000 0.433 522 V N 2.623 122.527 119.914 -0.018 0.000 2.350 522 V HA 0.442 4.578 4.120 0.028 0.000 0.276 522 V C 0.143 176.267 176.094 0.050 0.000 1.028 522 V CA -0.620 61.686 62.300 0.009 0.000 0.860 522 V CB 0.766 32.603 31.823 0.024 0.000 0.990 522 V HN 0.276 nan 8.190 nan 0.000 0.453 523 R N 0.000 120.531 120.500 0.051 0.000 2.786 523 R HA 0.000 4.357 4.340 0.028 0.000 0.208 523 R CA 0.000 56.188 56.100 0.147 0.000 0.921 523 R CB 0.000 30.244 30.300 -0.093 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535