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 1flg_1_A DATA FIRST_RESID 1 DATA SEQUENCE KDVTWEDIAN DDKTTGDVLQ YGMGTHAQRW SPLKQVNADN VFKLTPAWSY DATA SEQUENCE SFGDEKQRGQ ESQAIVSDGV IYVTASYSRL FALDAKTGKR LWTYNHRLPD DATA SEQUENCE DIRPCCDVVN RGAAIYGDKV FFGTLDASVV ALNKNTGKVV WKKKFADHGA DATA SEQUENCE GYTMTGAPTI VKDGKTGKVL LIHGSSGDEF GVVGRLFARD PDTGEEIWMR DATA SEQUENCE PFVEGHMGRL NGKDSTVTGD VKAPSWPDDR NSPTGKVESW SHGGGAPWQS DATA SEQUENCE ASFDAETNTI IVGAGNPGPW NTWARTAKGG NPHDYDSLYT SGQVGVDPSS DATA SEQUENCE GEVKWFYQHT PNDAWDFSGN NELVLFDYKA KDGKIVKATA HADRNGFFYV DATA SEQUENCE VDRSNGKLQN AFPFVDNITW ASHIDLKTGR PVEREGQRPP LPEPGQKHGK DATA SEQUENCE AVEVSPPFLG GKNWNPMAYS QDTGLFYVPA NHWKEDYWTE EVSYTKGSAY DATA SEQUENCE LGMGFRIKRM YDDHVGSLRA MDPVSGKVVW EHKEHLPLWA GVLATAGNLV DATA SEQUENCE FTGTGDGYFK AFDAKSGKEL WKFQTGSGIV SPPITWEQDG EQYLGVTVGY DATA SEQUENCE GGAVPLWGGD MADLTRPVAQ GGSFWVFKLP SW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.591 176.600 -0.015 0.000 0.988 1 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 1 K CB 0.000 32.507 32.500 0.012 0.000 1.064 2 D N 2.193 122.569 120.400 -0.039 0.000 2.467 2 D HA 0.245 4.885 4.640 -0.000 0.000 0.220 2 D C -0.251 176.010 176.300 -0.065 0.000 1.103 2 D CA -0.224 53.753 54.000 -0.038 0.000 0.886 2 D CB 1.480 42.260 40.800 -0.033 0.000 1.025 2 D HN 0.251 nan 8.370 nan 0.000 0.514 3 V N 1.912 121.808 119.914 -0.030 0.000 3.765 3 V HA -0.211 3.908 4.120 -0.000 0.000 0.447 3 V C 0.538 176.599 176.094 -0.054 0.000 0.680 3 V CA 0.635 62.929 62.300 -0.010 0.000 1.894 3 V CB -1.792 30.038 31.823 0.012 0.000 2.321 3 V HN 0.721 nan 8.190 nan 0.000 0.492 4 T N 1.096 115.686 114.554 0.061 0.000 2.948 4 T HA 0.522 4.872 4.350 -0.000 0.000 0.285 4 T C 0.818 175.739 174.700 0.368 0.000 1.019 4 T CA 0.025 62.233 62.100 0.180 0.000 1.013 4 T CB 2.053 70.999 68.868 0.131 0.000 1.117 4 T HN 0.774 nan 8.240 nan 0.000 0.533 5 W N 1.002 122.491 121.300 0.314 0.000 2.305 5 W HA -0.236 4.424 4.660 -0.000 0.000 0.308 5 W C 1.679 178.281 176.519 0.138 0.000 1.226 5 W CA 2.173 59.634 57.345 0.193 0.000 1.253 5 W CB -0.017 29.514 29.460 0.117 0.000 1.146 5 W HN 1.010 nan 8.180 nan 0.000 0.507 6 E N 0.259 120.416 120.200 -0.072 0.000 2.150 6 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 6 E C 1.674 178.179 176.600 -0.159 0.000 0.985 6 E CA 1.559 57.856 56.400 -0.171 0.000 0.814 6 E CB -0.247 29.443 29.700 -0.017 0.000 0.752 6 E HN 0.155 nan 8.360 nan 0.000 0.466 7 D N 0.677 121.037 120.400 -0.067 0.000 2.104 7 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 7 D C 2.050 178.287 176.300 -0.105 0.000 0.994 7 D CA 1.134 55.106 54.000 -0.048 0.000 0.830 7 D CB -0.255 40.553 40.800 0.013 0.000 0.959 7 D HN 0.328 nan 8.370 nan 0.000 0.452 8 I N 1.312 121.783 120.570 -0.165 0.000 2.163 8 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 8 I C 2.571 178.444 176.117 -0.407 0.000 1.081 8 I CA 1.076 62.248 61.300 -0.213 0.000 1.353 8 I CB -0.249 37.681 38.000 -0.117 0.000 1.054 8 I HN -0.089 nan 8.210 nan 0.000 0.407 9 A N 0.637 122.954 122.820 -0.838 0.000 1.978 9 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 9 A C 1.676 179.091 177.584 -0.280 0.000 1.170 9 A CA 2.071 53.704 52.037 -0.672 0.000 0.636 9 A CB -0.954 17.493 19.000 -0.921 0.000 0.810 9 A HN 0.555 nan 8.150 nan 0.000 0.448 10 N N -0.646 117.934 118.700 -0.199 0.000 2.295 10 N HA 0.124 4.864 4.740 -0.000 0.000 0.221 10 N C 0.725 176.211 175.510 -0.040 0.000 1.129 10 N CA 0.341 53.340 53.050 -0.086 0.000 0.836 10 N CB 0.216 38.672 38.487 -0.052 0.000 1.040 10 N HN 0.528 nan 8.380 nan 0.000 0.494 11 D N 1.834 122.204 120.400 -0.051 0.000 2.104 11 D HA -0.240 4.400 4.640 -0.000 0.000 0.194 11 D C 1.695 178.020 176.300 0.042 0.000 0.994 11 D CA 1.448 55.449 54.000 0.001 0.000 0.830 11 D CB 0.033 40.839 40.800 0.010 0.000 0.959 11 D HN 0.309 nan 8.370 nan 0.000 0.452 12 D N 0.373 120.800 120.400 0.045 0.000 2.190 12 D HA -0.231 4.409 4.640 -0.000 0.000 0.200 12 D C 1.556 177.920 176.300 0.106 0.000 0.992 12 D CA 1.246 55.307 54.000 0.103 0.000 0.854 12 D CB -0.410 40.467 40.800 0.129 0.000 0.936 12 D HN 0.302 nan 8.370 nan 0.000 0.462 13 K N -0.095 120.350 120.400 0.076 0.000 2.314 13 K HA 0.035 4.355 4.320 -0.000 0.000 0.198 13 K C 0.497 177.131 176.600 0.058 0.000 1.045 13 K CA 0.627 56.961 56.287 0.077 0.000 0.988 13 K CB 0.274 32.815 32.500 0.068 0.000 0.783 13 K HN 0.246 nan 8.250 nan 0.000 0.484 14 T N 0.671 115.255 114.554 0.051 0.000 2.848 14 T HA 0.024 4.373 4.350 -0.000 0.000 0.283 14 T C 1.130 175.869 174.700 0.064 0.000 0.919 14 T CA -0.405 61.725 62.100 0.051 0.000 1.071 14 T CB 0.815 69.709 68.868 0.043 0.000 0.912 14 T HN 0.166 nan 8.240 nan 0.000 0.570 15 T N 0.403 114.993 114.554 0.061 0.000 3.077 15 T HA 0.029 4.379 4.350 -0.000 0.000 0.269 15 T C 2.104 176.889 174.700 0.142 0.000 1.146 15 T CA 0.664 62.810 62.100 0.077 0.000 1.091 15 T CB -0.477 68.410 68.868 0.032 0.000 0.892 15 T HN 0.669 nan 8.240 nan 0.000 0.533 16 G N 1.935 110.812 108.800 0.128 0.000 2.408 16 G HA2 0.137 4.097 3.960 -0.000 0.000 0.215 16 G HA3 0.137 4.097 3.960 -0.000 0.000 0.215 16 G C 0.352 175.358 174.900 0.177 0.000 1.156 16 G CA 0.581 45.780 45.100 0.166 0.000 0.793 16 G HN 0.741 nan 8.290 nan 0.000 0.535 17 D N -1.435 119.033 120.400 0.114 0.000 2.654 17 D HA 0.545 5.184 4.640 -0.000 0.000 0.255 17 D C -0.958 175.374 176.300 0.053 0.000 1.101 17 D CA -1.084 52.947 54.000 0.052 0.000 1.116 17 D CB 1.695 42.516 40.800 0.036 0.000 1.348 17 D HN -0.074 nan 8.370 nan 0.000 0.609 18 V N 0.596 120.513 119.914 0.006 0.000 2.488 18 V HA 0.208 4.328 4.120 -0.000 0.000 0.293 18 V C 0.387 176.516 176.094 0.060 0.000 1.027 18 V CA -0.586 61.743 62.300 0.049 0.000 0.862 18 V CB 1.331 33.189 31.823 0.059 0.000 1.008 18 V HN 0.566 nan 8.190 nan 0.000 0.428 19 L N 4.134 125.409 121.223 0.086 0.000 2.693 19 L HA 0.406 4.746 4.340 -0.000 0.000 0.235 19 L C 0.639 177.594 176.870 0.142 0.000 1.127 19 L CA 0.244 55.147 54.840 0.104 0.000 0.914 19 L CB 0.120 42.234 42.059 0.092 0.000 1.193 19 L HN 0.834 nan 8.230 nan 0.000 0.502 20 Q N -1.758 118.139 119.800 0.162 0.000 2.702 20 Q HA 0.149 4.489 4.340 -0.000 0.000 0.289 20 Q C -1.493 174.662 176.000 0.257 0.000 0.923 20 Q CA -0.871 55.062 55.803 0.216 0.000 0.787 20 Q CB 1.257 30.120 28.738 0.208 0.000 1.476 20 Q HN -0.025 nan 8.270 nan 0.000 0.402 21 Y N 0.914 121.316 120.300 0.169 0.000 2.650 21 Y HA 0.341 4.891 4.550 -0.000 0.000 0.331 21 Y C 1.238 177.255 175.900 0.195 0.000 1.165 21 Y CA 2.519 60.732 58.100 0.188 0.000 1.473 21 Y CB 0.297 38.870 38.460 0.189 0.000 1.224 21 Y HN 0.970 nan 8.280 nan 0.000 0.533 22 G N 4.911 113.659 108.800 -0.087 0.000 2.179 22 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.220 22 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.220 22 G C 0.555 175.523 174.900 0.113 0.000 0.990 22 G CA -0.131 44.974 45.100 0.008 0.000 0.646 22 G HN 0.801 nan 8.290 nan 0.000 0.517 23 M N -1.520 118.154 119.600 0.123 0.000 2.436 23 M HA -0.117 4.363 4.480 -0.000 0.000 0.197 23 M C 0.902 177.288 176.300 0.144 0.000 0.442 23 M CA 1.739 57.121 55.300 0.138 0.000 0.473 23 M CB -1.464 31.220 32.600 0.141 0.000 1.685 23 M HN 2.128 nan 8.290 nan 0.000 0.835 24 G N -1.825 107.064 108.800 0.148 0.000 2.328 24 G HA2 0.321 4.281 3.960 -0.000 0.000 0.299 24 G HA3 0.321 4.281 3.960 -0.000 0.000 0.299 24 G C 0.122 175.129 174.900 0.179 0.000 1.435 24 G CA -0.137 45.037 45.100 0.123 0.000 0.865 24 G HN 0.352 nan 8.290 nan 0.000 0.601 25 T N -2.528 112.129 114.554 0.172 0.000 2.962 25 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 25 T C 1.448 176.422 174.700 0.457 0.000 1.088 25 T CA 2.015 64.312 62.100 0.328 0.000 1.127 25 T CB -0.211 68.888 68.868 0.385 0.000 0.883 25 T HN 0.500 nan 8.240 nan 0.000 0.493 26 H N 1.301 120.500 119.070 0.214 0.000 2.539 26 H HA 0.666 5.222 4.556 -0.000 0.000 0.269 26 H C 1.782 177.231 175.328 0.202 0.000 0.980 26 H CA -0.774 55.393 56.048 0.200 0.000 1.152 26 H CB -0.512 29.361 29.762 0.185 0.000 1.407 26 H HN 0.545 nan 8.280 nan 0.000 0.564 27 A N 0.702 123.713 122.820 0.319 0.000 2.826 27 A HA -0.341 3.978 4.320 -0.000 0.000 0.274 27 A C 1.661 179.394 177.584 0.249 0.000 1.443 27 A CA 1.241 53.428 52.037 0.250 0.000 0.833 27 A CB -2.349 16.796 19.000 0.241 0.000 1.023 27 A HN 0.577 nan 8.150 nan 0.000 0.600 28 Q N -1.245 118.733 119.800 0.297 0.000 2.224 28 Q HA 0.003 4.343 4.340 -0.000 0.000 0.203 28 Q C 0.943 177.150 176.000 0.345 0.000 0.970 28 Q CA 0.879 56.890 55.803 0.345 0.000 0.865 28 Q CB -0.003 28.974 28.738 0.397 0.000 0.922 28 Q HN 0.788 nan 8.270 nan 0.000 0.445 29 R N -1.140 119.534 120.500 0.290 0.000 3.423 29 R HA -0.180 4.160 4.340 -0.000 0.000 0.271 29 R C -1.079 175.419 176.300 0.331 0.000 1.093 29 R CA 0.525 56.776 56.100 0.252 0.000 0.730 29 R CB -2.136 28.279 30.300 0.192 0.000 1.190 29 R HN 0.400 nan 8.270 nan 0.000 0.437 30 W N 0.867 122.253 121.300 0.143 0.000 2.587 30 W HA 0.576 5.236 4.660 -0.000 0.000 0.324 30 W C -1.155 175.427 176.519 0.104 0.000 1.040 30 W CA -0.802 56.615 57.345 0.121 0.000 1.222 30 W CB 1.989 31.526 29.460 0.130 0.000 1.381 30 W HN 0.011 nan 8.180 nan 0.000 0.483 31 S N 7.100 122.417 115.700 -0.638 0.000 2.519 31 S HA 0.405 4.875 4.470 -0.000 0.000 0.309 31 S C -1.440 172.503 174.600 -1.096 0.000 1.100 31 S CA -1.601 56.183 58.200 -0.694 0.000 1.059 31 S CB 1.957 64.978 63.200 -0.299 0.000 1.008 31 S HN 0.429 nan 8.310 nan 0.000 0.478 32 P HA 0.072 nan 4.420 nan 0.000 0.237 32 P C 0.151 177.290 177.300 -0.268 0.000 1.178 32 P CA 0.108 62.955 63.100 -0.421 0.000 0.766 32 P CB -0.098 31.548 31.700 -0.090 0.000 0.876 33 L N 0.339 121.417 121.223 -0.241 0.000 2.543 33 L HA 0.001 4.341 4.340 -0.000 0.000 0.285 33 L C 1.633 178.396 176.870 -0.178 0.000 1.236 33 L CA 0.660 55.396 54.840 -0.173 0.000 0.871 33 L CB 0.071 42.038 42.059 -0.153 0.000 1.121 33 L HN -0.162 nan 8.230 nan 0.000 0.501 34 K N 1.542 121.860 120.400 -0.136 0.000 2.582 34 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 34 K C 0.964 177.493 176.600 -0.118 0.000 1.221 34 K CA 0.145 56.363 56.287 -0.116 0.000 1.048 34 K CB 0.429 32.877 32.500 -0.086 0.000 1.011 34 K HN 0.640 nan 8.250 nan 0.000 0.597 35 Q N 0.203 119.921 119.800 -0.137 0.000 2.050 35 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 35 Q C -0.133 175.762 176.000 -0.176 0.000 0.980 35 Q CA 1.083 56.794 55.803 -0.155 0.000 0.840 35 Q CB 0.389 29.021 28.738 -0.176 0.000 0.898 35 Q HN -0.052 nan 8.270 nan 0.000 0.424 36 V N 2.728 122.531 119.914 -0.184 0.000 2.432 36 V HA 0.190 4.310 4.120 -0.000 0.000 0.275 36 V C -0.354 175.650 176.094 -0.149 0.000 1.043 36 V CA -0.335 61.848 62.300 -0.195 0.000 0.925 36 V CB 0.980 32.676 31.823 -0.213 0.000 0.985 36 V HN 0.559 nan 8.190 nan 0.000 0.466 37 N N 3.659 122.264 118.700 -0.159 0.000 3.157 37 N HA 0.619 5.359 4.740 -0.000 0.000 0.291 37 N C 0.529 175.954 175.510 -0.142 0.000 1.515 37 N CA -0.243 52.727 53.050 -0.134 0.000 0.807 37 N CB 1.351 39.776 38.487 -0.103 0.000 1.672 37 N HN 0.398 nan 8.380 nan 0.000 0.592 38 A N -0.923 121.824 122.820 -0.122 0.000 2.070 38 A HA -0.106 4.213 4.320 -0.000 0.000 0.220 38 A C 0.793 178.341 177.584 -0.061 0.000 1.159 38 A CA 1.517 53.485 52.037 -0.114 0.000 0.656 38 A CB -0.736 18.199 19.000 -0.109 0.000 0.800 38 A HN 0.692 nan 8.150 nan 0.000 0.453 39 D N -0.309 120.068 120.400 -0.040 0.000 2.305 39 D HA -0.077 4.563 4.640 -0.000 0.000 0.206 39 D C 1.119 177.489 176.300 0.116 0.000 0.974 39 D CA 1.222 55.235 54.000 0.021 0.000 0.871 39 D CB -0.210 40.591 40.800 0.001 0.000 0.947 39 D HN 0.723 nan 8.370 nan 0.000 0.516 40 N N -0.097 118.593 118.700 -0.017 0.000 2.197 40 N HA -0.060 4.680 4.740 -0.000 0.000 0.201 40 N C 1.435 176.722 175.510 -0.371 0.000 1.148 40 N CA -0.088 52.857 53.050 -0.176 0.000 0.883 40 N CB -0.255 38.099 38.487 -0.221 0.000 1.012 40 N HN -0.097 nan 8.380 nan 0.000 0.507 41 V N 1.191 120.966 119.914 -0.232 0.000 2.439 41 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 41 V C 1.697 177.571 176.094 -0.367 0.000 1.074 41 V CA 2.062 64.157 62.300 -0.342 0.000 1.076 41 V CB -0.947 30.697 31.823 -0.298 0.000 0.664 41 V HN 0.442 nan 8.190 nan 0.000 0.461 42 F N 1.047 120.913 119.950 -0.141 0.000 2.641 42 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 42 F C 1.631 177.450 175.800 0.031 0.000 1.146 42 F CA 0.768 58.787 58.000 0.032 0.000 1.464 42 F CB -0.677 38.337 39.000 0.022 0.000 1.101 42 F HN 0.188 nan 8.300 nan 0.000 0.585 43 K N 1.077 120.962 120.400 -0.858 0.000 2.358 43 K HA 0.227 4.546 4.320 -0.000 0.000 0.197 43 K C 0.326 176.720 176.600 -0.343 0.000 1.025 43 K CA -0.331 55.606 56.287 -0.584 0.000 1.104 43 K CB -0.027 32.058 32.500 -0.691 0.000 0.855 43 K HN 0.348 nan 8.250 nan 0.000 0.531 44 L N 1.713 122.674 121.223 -0.437 0.000 2.456 44 L HA 0.101 4.441 4.340 -0.000 0.000 0.272 44 L C -0.230 176.666 176.870 0.043 0.000 1.189 44 L CA 0.979 55.563 54.840 -0.427 0.000 0.846 44 L CB 0.956 42.445 42.059 -0.951 0.000 1.111 44 L HN -0.022 nan 8.230 nan 0.000 0.475 45 T N 5.045 119.650 114.554 0.085 0.000 2.916 45 T HA 0.563 4.912 4.350 -0.000 0.000 0.305 45 T C -2.796 171.951 174.700 0.078 0.000 1.119 45 T CA -1.482 60.718 62.100 0.167 0.000 1.008 45 T CB 1.814 70.712 68.868 0.049 0.000 1.129 45 T HN 0.409 nan 8.240 nan 0.000 0.480 46 P HA 0.257 nan 4.420 nan 0.000 0.266 46 P C -0.451 176.658 177.300 -0.319 0.000 1.195 46 P CA 0.057 62.818 63.100 -0.565 0.000 0.768 46 P CB 0.593 32.026 31.700 -0.445 0.000 0.838 47 A N 3.885 126.474 122.820 -0.385 0.000 2.085 47 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 47 A C -0.107 177.436 177.584 -0.069 0.000 1.191 47 A CA 0.450 52.372 52.037 -0.192 0.000 0.799 47 A CB -0.015 18.895 19.000 -0.149 0.000 0.877 47 A HN 0.715 nan 8.150 nan 0.000 0.473 48 W N -3.580 117.583 121.300 -0.228 0.000 3.235 48 W HA 0.572 5.232 4.660 -0.000 0.000 0.318 48 W C -1.503 174.758 176.519 -0.430 0.000 1.124 48 W CA -0.206 56.992 57.345 -0.245 0.000 1.110 48 W CB -0.011 29.372 29.460 -0.128 0.000 1.415 48 W HN 0.000 nan 8.180 nan 0.000 0.563 49 S N 0.619 116.289 115.700 -0.051 0.000 2.599 49 S HA 0.748 5.218 4.470 -0.000 0.000 0.294 49 S C -2.079 172.587 174.600 0.110 0.000 1.094 49 S CA -0.386 57.618 58.200 -0.327 0.000 0.931 49 S CB 2.015 64.550 63.200 -1.109 0.000 1.093 49 S HN 0.434 nan 8.310 nan 0.000 0.488 50 Y N 1.924 122.205 120.300 -0.032 0.000 2.350 50 Y HA 0.582 5.132 4.550 -0.001 0.000 0.338 50 Y C -0.197 175.546 175.900 -0.261 0.000 0.961 50 Y CA -0.671 57.370 58.100 -0.099 0.000 1.100 50 Y CB 1.738 40.184 38.460 -0.024 0.000 1.179 50 Y HN 0.544 nan 8.280 nan 0.000 0.454 51 S N 5.382 120.538 115.700 -0.907 0.000 2.475 51 S HA 0.282 4.752 4.470 -0.000 0.000 0.281 51 S C 0.582 174.669 174.600 -0.855 0.000 1.198 51 S CA -0.475 57.289 58.200 -0.727 0.000 1.063 51 S CB 0.143 63.107 63.200 -0.393 0.000 0.972 51 S HN 0.597 nan 8.310 nan 0.000 0.486 52 F N 4.138 123.818 119.950 -0.450 0.000 2.293 52 F HA 0.176 4.703 4.527 -0.001 0.000 0.300 52 F C 2.129 177.853 175.800 -0.126 0.000 1.086 52 F CA 0.410 58.164 58.000 -0.409 0.000 1.375 52 F CB -1.477 37.377 39.000 -0.244 0.000 1.045 52 F HN 0.926 nan 8.300 nan 0.000 0.516 53 G N 0.415 109.243 108.800 0.048 0.000 2.578 53 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.284 53 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.284 53 G C 0.348 175.320 174.900 0.120 0.000 1.283 53 G CA 0.241 45.381 45.100 0.066 0.000 0.944 53 G HN 0.317 nan 8.290 nan 0.000 0.558 54 D N -0.325 120.124 120.400 0.082 0.000 2.946 54 D HA -0.172 4.468 4.640 -0.000 0.000 0.202 54 D C 0.935 177.231 176.300 -0.006 0.000 1.068 54 D CA 1.891 55.917 54.000 0.043 0.000 1.011 54 D CB -1.198 39.629 40.800 0.046 0.000 1.105 54 D HN 1.280 nan 8.370 nan 0.000 0.425 55 E N -1.412 118.794 120.200 0.011 0.000 3.070 55 E HA -0.231 4.118 4.350 -0.000 0.000 0.285 55 E C -0.493 176.081 176.600 -0.043 0.000 0.972 55 E CA 0.910 57.309 56.400 -0.002 0.000 0.915 55 E CB -0.584 29.110 29.700 -0.009 0.000 1.466 55 E HN 0.230 nan 8.360 nan 0.000 0.432 56 K N 1.038 121.411 120.400 -0.045 0.000 2.449 56 K HA 0.351 4.671 4.320 -0.000 0.000 0.257 56 K C 0.498 177.185 176.600 0.144 0.000 0.989 56 K CA -0.120 56.060 56.287 -0.178 0.000 0.916 56 K CB 1.518 33.747 32.500 -0.451 0.000 1.136 56 K HN 0.176 nan 8.250 nan 0.000 0.439 57 Q N 1.366 121.332 119.800 0.278 0.000 2.965 57 Q HA 0.392 4.732 4.340 -0.000 0.000 0.217 57 Q C -0.299 175.928 176.000 0.377 0.000 1.113 57 Q CA -0.755 55.238 55.803 0.317 0.000 0.373 57 Q CB 0.296 29.171 28.738 0.228 0.000 5.238 57 Q HN 0.371 nan 8.270 nan 0.000 0.337 58 R N -0.579 120.092 120.500 0.284 0.000 3.749 58 R HA -0.143 4.196 4.340 -0.000 0.000 0.527 58 R C 0.216 176.626 176.300 0.183 0.000 0.241 58 R CA 0.891 57.111 56.100 0.200 0.000 1.639 58 R CB -1.877 28.503 30.300 0.134 0.000 1.007 58 R HN 0.698 nan 8.270 nan 0.000 0.563 59 G N 1.279 110.150 108.800 0.118 0.000 2.340 59 G HA2 0.258 4.218 3.960 -0.000 0.000 0.245 59 G HA3 0.258 4.218 3.960 -0.000 0.000 0.245 59 G C -0.204 174.814 174.900 0.196 0.000 1.294 59 G CA -0.280 44.901 45.100 0.134 0.000 0.896 59 G HN 0.235 nan 8.290 nan 0.000 0.522 60 Q N 1.949 121.906 119.800 0.262 0.000 2.401 60 Q HA 0.217 4.557 4.340 -0.000 0.000 0.260 60 Q C 0.126 176.331 176.000 0.341 0.000 1.034 60 Q CA -0.290 55.701 55.803 0.313 0.000 0.737 60 Q CB 1.865 30.847 28.738 0.407 0.000 1.227 60 Q HN 0.813 nan 8.270 nan 0.000 0.488 61 E N 0.347 120.722 120.200 0.291 0.000 2.498 61 E HA 0.073 4.422 4.350 -0.000 0.000 0.203 61 E C 0.186 176.981 176.600 0.325 0.000 1.013 61 E CA -0.117 56.473 56.400 0.317 0.000 0.927 61 E CB 0.983 30.715 29.700 0.054 0.000 1.012 61 E HN 0.273 nan 8.360 nan 0.000 0.482 62 S N 1.382 117.268 115.700 0.310 0.000 2.564 62 S HA -0.002 4.467 4.470 -0.000 0.000 0.278 62 S C -0.033 174.793 174.600 0.375 0.000 1.333 62 S CA -0.318 58.069 58.200 0.311 0.000 1.048 62 S CB 0.803 64.156 63.200 0.254 0.000 0.900 62 S HN 0.128 nan 8.310 nan 0.000 0.505 63 Q N 3.436 123.469 119.800 0.388 0.000 2.349 63 Q HA 0.438 4.778 4.340 -0.000 0.000 0.254 63 Q C 0.056 176.228 176.000 0.287 0.000 0.980 63 Q CA -0.631 55.388 55.803 0.359 0.000 0.924 63 Q CB 0.890 29.846 28.738 0.362 0.000 1.209 63 Q HN 0.859 nan 8.270 nan 0.000 0.445 64 A N 4.903 127.891 122.820 0.279 0.000 2.492 64 A HA 0.311 4.630 4.320 -0.000 0.000 0.236 64 A C 0.239 177.882 177.584 0.098 0.000 1.078 64 A CA -0.045 52.072 52.037 0.133 0.000 0.773 64 A CB 0.100 19.166 19.000 0.110 0.000 1.023 64 A HN 0.818 nan 8.150 nan 0.000 0.504 65 I N -1.553 119.036 120.570 0.033 0.000 2.689 65 I HA 0.795 4.964 4.170 -0.000 0.000 0.299 65 I C -1.065 175.010 176.117 -0.070 0.000 1.059 65 I CA -1.041 60.280 61.300 0.035 0.000 1.055 65 I CB 2.071 40.134 38.000 0.104 0.000 1.243 65 I HN 0.313 nan 8.210 nan 0.000 0.425 66 V N 2.910 122.738 119.914 -0.144 0.000 2.823 66 V HA 0.830 4.949 4.120 -0.000 0.000 0.312 66 V C -0.231 175.782 176.094 -0.136 0.000 1.072 66 V CA -0.432 61.687 62.300 -0.300 0.000 0.937 66 V CB 1.619 32.995 31.823 -0.745 0.000 1.013 66 V HN 0.972 nan 8.190 nan 0.000 0.430 67 S N 1.662 117.302 115.700 -0.099 0.000 2.586 67 S HA 0.484 4.954 4.470 -0.000 0.000 0.277 67 S C -0.666 173.928 174.600 -0.011 0.000 1.131 67 S CA -0.000 58.193 58.200 -0.011 0.000 0.848 67 S CB 1.693 64.938 63.200 0.075 0.000 1.091 67 S HN 1.037 nan 8.310 nan 0.000 0.453 68 D N 1.756 122.160 120.400 0.005 0.000 3.292 68 D HA -0.199 4.441 4.640 -0.000 0.000 0.175 68 D C 1.060 177.341 176.300 -0.032 0.000 1.192 68 D CA 2.535 56.536 54.000 0.002 0.000 1.026 68 D CB -1.253 39.555 40.800 0.013 0.000 0.538 68 D HN 1.138 nan 8.370 nan 0.000 0.566 69 G N -0.685 108.085 108.800 -0.049 0.000 3.448 69 G HA2 0.434 4.394 3.960 -0.000 0.000 0.261 69 G HA3 0.434 4.394 3.960 -0.000 0.000 0.261 69 G C -0.145 174.654 174.900 -0.169 0.000 1.173 69 G CA 0.365 45.420 45.100 -0.075 0.000 0.835 69 G HN 0.297 nan 8.290 nan 0.000 0.534 70 V N 1.416 121.172 119.914 -0.264 0.000 2.604 70 V HA 0.412 4.532 4.120 -0.000 0.000 0.305 70 V C -0.220 175.497 176.094 -0.628 0.000 1.043 70 V CA -0.928 61.085 62.300 -0.479 0.000 0.888 70 V CB 2.117 33.564 31.823 -0.627 0.000 0.995 70 V HN 0.141 nan 8.190 nan 0.000 0.429 71 I N 4.627 124.822 120.570 -0.625 0.000 2.325 71 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 71 I C -1.049 174.654 176.117 -0.689 0.000 1.019 71 I CA -0.362 60.593 61.300 -0.575 0.000 1.302 71 I CB 0.525 38.259 38.000 -0.442 0.000 1.401 71 I HN 0.535 nan 8.210 nan 0.000 0.485 72 Y N 5.892 126.009 120.300 -0.305 0.000 2.385 72 Y HA 0.472 5.022 4.550 -0.000 0.000 0.341 72 Y C 0.148 175.905 175.900 -0.238 0.000 0.965 72 Y CA -0.884 57.042 58.100 -0.290 0.000 1.180 72 Y CB 1.114 39.442 38.460 -0.220 0.000 1.139 72 Y HN 0.256 nan 8.280 nan 0.000 0.502 73 V N 0.381 120.226 119.914 -0.115 0.000 2.769 73 V HA 0.745 4.865 4.120 -0.000 0.000 0.312 73 V C -0.089 175.986 176.094 -0.031 0.000 1.061 73 V CA -1.124 61.133 62.300 -0.072 0.000 0.931 73 V CB 1.683 33.464 31.823 -0.070 0.000 1.010 73 V HN 0.721 nan 8.190 nan 0.000 0.433 74 T N 0.369 114.919 114.554 -0.007 0.000 2.895 74 T HA 0.907 5.257 4.350 -0.000 0.000 0.283 74 T C -0.169 174.491 174.700 -0.066 0.000 1.014 74 T CA -0.126 61.946 62.100 -0.046 0.000 1.037 74 T CB 1.781 70.660 68.868 0.018 0.000 1.006 74 T HN 1.526 nan 8.240 nan 0.000 0.468 75 A N 1.954 124.730 122.820 -0.073 0.000 2.435 75 A HA 0.862 5.182 4.320 -0.000 0.000 0.296 75 A C 0.463 178.097 177.584 0.083 0.000 1.147 75 A CA -0.724 51.225 52.037 -0.146 0.000 0.775 75 A CB 0.974 19.691 19.000 -0.472 0.000 1.340 75 A HN 1.450 nan 8.150 nan 0.000 0.427 76 S N -0.743 115.045 115.700 0.146 0.000 2.563 76 S HA 0.242 4.712 4.470 -0.000 0.000 0.269 76 S C -0.156 174.637 174.600 0.322 0.000 1.364 76 S CA 1.010 59.325 58.200 0.193 0.000 1.010 76 S CB -0.550 62.813 63.200 0.273 0.000 0.877 76 S HN 1.436 nan 8.310 nan 0.000 0.549 77 Y N -0.593 119.763 120.300 0.095 0.000 3.389 77 Y HA -0.221 4.329 4.550 -0.000 0.000 0.213 77 Y C 0.792 176.751 175.900 0.098 0.000 1.272 77 Y CA 0.587 58.738 58.100 0.084 0.000 1.444 77 Y CB -2.937 35.568 38.460 0.076 0.000 1.445 77 Y HN 0.965 nan 8.280 nan 0.000 0.583 78 S N -0.412 115.425 115.700 0.230 0.000 3.430 78 S HA -0.195 4.275 4.470 -0.000 0.000 0.442 78 S C 0.051 174.847 174.600 0.327 0.000 0.845 78 S CA 1.103 59.475 58.200 0.286 0.000 1.357 78 S CB -0.585 62.707 63.200 0.153 0.000 0.925 78 S HN 0.593 nan 8.310 nan 0.000 0.642 79 R N 0.175 120.837 120.500 0.269 0.000 2.651 79 R HA 0.780 5.120 4.340 -0.000 0.000 0.278 79 R C -1.016 175.249 176.300 -0.058 0.000 1.010 79 R CA -0.811 55.342 56.100 0.088 0.000 0.896 79 R CB 1.673 31.978 30.300 0.008 0.000 1.211 79 R HN 0.321 nan 8.270 nan 0.000 0.456 80 L N 2.445 123.551 121.223 -0.194 0.000 2.385 80 L HA 0.626 4.966 4.340 -0.000 0.000 0.273 80 L C -1.647 175.061 176.870 -0.271 0.000 0.990 80 L CA -0.551 54.128 54.840 -0.268 0.000 0.821 80 L CB 1.290 43.073 42.059 -0.459 0.000 1.279 80 L HN 0.512 nan 8.230 nan 0.000 0.412 81 F N 3.616 123.427 119.950 -0.232 0.000 2.518 81 F HA 0.704 5.231 4.527 -0.001 0.000 0.323 81 F C 0.182 175.673 175.800 -0.515 0.000 1.129 81 F CA -0.565 57.267 58.000 -0.281 0.000 0.920 81 F CB 2.114 41.060 39.000 -0.090 0.000 1.160 81 F HN 0.445 nan 8.300 nan 0.000 0.440 82 A N 4.559 126.965 122.820 -0.689 0.000 2.291 82 A HA 0.818 5.138 4.320 -0.000 0.000 0.311 82 A C -1.543 175.617 177.584 -0.707 0.000 1.224 82 A CA -0.500 50.978 52.037 -0.931 0.000 0.821 82 A CB 0.458 18.547 19.000 -1.517 0.000 1.172 82 A HN 0.550 nan 8.150 nan 0.000 0.494 83 L N 2.190 123.041 121.223 -0.621 0.000 2.346 83 L HA 0.395 4.735 4.340 -0.000 0.000 0.276 83 L C 0.178 176.765 176.870 -0.472 0.000 1.006 83 L CA -0.524 53.991 54.840 -0.542 0.000 0.817 83 L CB 1.744 43.524 42.059 -0.465 0.000 1.272 83 L HN 0.770 nan 8.230 nan 0.000 0.421 84 D N 2.198 122.334 120.400 -0.440 0.000 2.401 84 D HA 0.089 4.729 4.640 -0.000 0.000 0.254 84 D C 0.798 176.946 176.300 -0.253 0.000 1.192 84 D CA 0.196 53.997 54.000 -0.332 0.000 0.885 84 D CB 1.649 42.263 40.800 -0.309 0.000 1.147 84 D HN 0.713 nan 8.370 nan 0.000 0.478 85 A N 4.970 127.723 122.820 -0.112 0.000 2.070 85 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 85 A C 2.017 179.737 177.584 0.226 0.000 1.159 85 A CA 1.161 53.273 52.037 0.125 0.000 0.656 85 A CB 0.022 19.044 19.000 0.037 0.000 0.800 85 A HN 0.633 nan 8.150 nan 0.000 0.453 86 K N -1.552 118.883 120.400 0.059 0.000 2.168 86 K HA 0.068 4.388 4.320 -0.000 0.000 0.201 86 K C 0.209 176.874 176.600 0.108 0.000 1.049 86 K CA 0.720 57.073 56.287 0.110 0.000 0.974 86 K CB 0.110 32.637 32.500 0.045 0.000 0.792 86 K HN 0.306 nan 8.250 nan 0.000 0.463 87 T N -0.656 113.766 114.554 -0.221 0.000 2.928 87 T HA 0.263 4.613 4.350 -0.000 0.000 0.284 87 T C 0.481 174.493 174.700 -1.146 0.000 1.008 87 T CA -0.550 61.274 62.100 -0.459 0.000 1.057 87 T CB 1.642 70.337 68.868 -0.288 0.000 1.018 87 T HN 0.265 nan 8.240 nan 0.000 0.493 88 G N 1.677 109.564 108.800 -1.523 0.000 3.562 88 G HA2 0.160 4.120 3.960 -0.000 0.000 0.279 88 G HA3 0.160 4.120 3.960 -0.000 0.000 0.279 88 G C 0.299 174.622 174.900 -0.961 0.000 1.314 88 G CA -0.291 43.577 45.100 -2.053 0.000 1.189 88 G HN 0.625 nan 8.290 nan 0.000 0.562 89 K N 0.363 120.382 120.400 -0.636 0.000 2.350 89 K HA 0.212 4.532 4.320 -0.000 0.000 0.279 89 K C 0.406 176.727 176.600 -0.464 0.000 1.027 89 K CA -0.788 55.243 56.287 -0.426 0.000 0.969 89 K CB 0.813 33.145 32.500 -0.281 0.000 0.954 89 K HN 0.130 nan 8.250 nan 0.000 0.474 90 R N 4.582 124.829 120.500 -0.421 0.000 2.370 90 R HA 0.044 4.383 4.340 -0.000 0.000 0.309 90 R C 0.393 176.545 176.300 -0.247 0.000 1.059 90 R CA -0.042 55.813 56.100 -0.408 0.000 0.981 90 R CB 0.314 30.450 30.300 -0.273 0.000 0.972 90 R HN 0.850 nan 8.270 nan 0.000 0.437 91 L N 4.925 125.972 121.223 -0.293 0.000 2.130 91 L HA 0.273 4.613 4.340 -0.000 0.000 0.200 91 L C 0.524 177.386 176.870 -0.014 0.000 1.075 91 L CA 0.406 55.140 54.840 -0.177 0.000 0.768 91 L CB -0.209 41.721 42.059 -0.215 0.000 0.933 91 L HN 0.650 nan 8.230 nan 0.000 0.451 92 W N -1.900 119.353 121.300 -0.079 0.000 3.074 92 W HA 0.595 5.255 4.660 -0.001 0.000 0.332 92 W C -1.375 175.089 176.519 -0.090 0.000 1.253 92 W CA -0.808 56.500 57.345 -0.062 0.000 1.180 92 W CB 0.885 30.316 29.460 -0.049 0.000 1.445 92 W HN -0.364 nan 8.180 nan 0.000 0.573 93 T N 1.360 116.097 114.554 0.304 0.000 2.907 93 T HA 0.512 4.862 4.350 -0.000 0.000 0.292 93 T C -2.054 172.787 174.700 0.235 0.000 1.043 93 T CA -0.455 61.679 62.100 0.056 0.000 1.003 93 T CB 2.497 71.183 68.868 -0.304 0.000 1.084 93 T HN 0.401 nan 8.240 nan 0.000 0.483 94 Y N 1.861 122.167 120.300 0.010 0.000 2.331 94 Y HA 0.495 5.044 4.550 -0.000 0.000 0.326 94 Y C -1.284 174.604 175.900 -0.020 0.000 1.020 94 Y CA -0.934 57.177 58.100 0.019 0.000 1.136 94 Y CB 0.979 39.494 38.460 0.092 0.000 1.157 94 Y HN 0.662 nan 8.280 nan 0.000 0.444 95 N N 4.679 122.986 118.700 -0.655 0.000 2.446 95 N HA 0.164 4.904 4.740 -0.000 0.000 0.265 95 N C -1.212 173.842 175.510 -0.760 0.000 0.975 95 N CA -0.749 52.009 53.050 -0.486 0.000 0.928 95 N CB 0.723 39.051 38.487 -0.266 0.000 1.160 95 N HN 0.624 nan 8.380 nan 0.000 0.495 96 H N 2.370 121.069 119.070 -0.618 0.000 2.764 96 H HA 0.092 4.648 4.556 -0.000 0.000 0.341 96 H C -0.039 175.183 175.328 -0.176 0.000 1.072 96 H CA -0.093 55.754 56.048 -0.335 0.000 1.444 96 H CB 0.857 30.611 29.762 -0.014 0.000 1.458 96 H HN 0.331 nan 8.280 nan 0.000 0.572 97 R N 5.652 125.853 120.500 -0.498 0.000 2.316 97 R HA 0.137 4.477 4.340 -0.000 0.000 0.314 97 R C -0.884 175.279 176.300 -0.229 0.000 1.069 97 R CA -0.334 55.595 56.100 -0.284 0.000 0.959 97 R CB -0.204 29.954 30.300 -0.237 0.000 0.987 97 R HN 0.577 nan 8.270 nan 0.000 0.446 98 L N 7.078 128.264 121.223 -0.060 0.000 2.343 98 L HA 0.457 4.797 4.340 -0.000 0.000 0.275 98 L C -1.812 175.025 176.870 -0.055 0.000 1.056 98 L CA -2.138 52.693 54.840 -0.014 0.000 0.804 98 L CB 1.568 43.660 42.059 0.054 0.000 1.203 98 L HN 0.490 nan 8.230 nan 0.000 0.440 99 P HA 0.176 nan 4.420 nan 0.000 0.276 99 P C -0.605 176.685 177.300 -0.017 0.000 1.252 99 P CA -0.436 62.625 63.100 -0.065 0.000 0.802 99 P CB 0.742 32.374 31.700 -0.113 0.000 1.035 100 D N -0.623 119.788 120.400 0.019 0.000 2.317 100 D HA -0.090 4.550 4.640 -0.000 0.000 0.211 100 D C 0.548 176.875 176.300 0.046 0.000 0.966 100 D CA 1.127 55.147 54.000 0.034 0.000 0.876 100 D CB -0.211 40.607 40.800 0.029 0.000 0.927 100 D HN 0.480 nan 8.370 nan 0.000 0.519 101 D N 0.670 121.113 120.400 0.071 0.000 2.643 101 D HA 0.027 4.667 4.640 -0.000 0.000 0.244 101 D C 0.459 176.855 176.300 0.161 0.000 1.257 101 D CA -0.465 53.590 54.000 0.091 0.000 0.831 101 D CB -0.738 40.112 40.800 0.084 0.000 1.043 101 D HN 0.241 nan 8.370 nan 0.000 0.488 102 I N -1.293 119.340 120.570 0.105 0.000 2.779 102 I HA 0.279 4.448 4.170 -0.000 0.000 0.285 102 I C 0.680 176.790 176.117 -0.012 0.000 1.134 102 I CA -0.592 60.747 61.300 0.065 0.000 1.398 102 I CB 0.774 38.751 38.000 -0.039 0.000 1.404 102 I HN -0.095 nan 8.210 nan 0.000 0.587 103 R N 3.897 124.338 120.500 -0.099 0.000 2.653 103 R HA 0.448 4.788 4.340 -0.000 0.000 0.269 103 R C -3.078 173.119 176.300 -0.172 0.000 1.603 103 R CA -1.327 54.664 56.100 -0.182 0.000 1.671 103 R CB 0.156 30.233 30.300 -0.370 0.000 1.300 103 R HN 0.502 nan 8.270 nan 0.000 0.668 104 P HA 0.015 nan 4.420 nan 0.000 0.269 104 P C 1.204 178.618 177.300 0.191 0.000 1.209 104 P CA -0.249 62.880 63.100 0.048 0.000 0.776 104 P CB 1.021 32.731 31.700 0.017 0.000 0.876 105 C N 0.275 119.735 119.300 0.267 0.000 2.485 105 C HA 0.151 4.611 4.460 -0.000 0.000 0.278 105 C C 1.395 176.638 174.990 0.422 0.000 1.356 105 C CA 0.304 59.567 59.018 0.410 0.000 1.747 105 C CB -1.311 26.580 27.740 0.251 0.000 2.001 105 C HN 0.536 nan 8.230 nan 0.000 0.501 106 C N 1.906 121.347 119.300 0.234 0.000 2.913 106 C HA 0.538 4.998 4.460 -0.000 0.000 0.246 106 C C -0.584 174.500 174.990 0.157 0.000 1.857 106 C CA -0.168 58.981 59.018 0.218 0.000 1.690 106 C CB -2.333 25.424 27.740 0.028 0.000 3.235 106 C HN 0.826 nan 8.230 nan 0.000 0.475 107 D N -0.300 120.178 120.400 0.129 0.000 10.594 107 D HA -0.163 4.477 4.640 -0.000 0.000 0.330 107 D C 0.150 176.443 176.300 -0.012 0.000 3.155 107 D CA 0.761 54.796 54.000 0.058 0.000 2.720 107 D CB 0.024 40.865 40.800 0.070 0.000 1.258 107 D HN 0.513 nan 8.370 nan 0.000 0.953 108 V N 0.298 120.148 119.914 -0.106 0.000 2.588 108 V HA 0.394 4.514 4.120 -0.000 0.000 0.329 108 V C 0.955 176.979 176.094 -0.116 0.000 1.688 108 V CA 0.437 62.621 62.300 -0.193 0.000 1.686 108 V CB -1.170 30.331 31.823 -0.537 0.000 1.383 108 V HN 0.696 nan 8.190 nan 0.000 0.492 109 V N -0.673 119.220 119.914 -0.035 0.000 2.975 109 V HA 0.699 4.818 4.120 -0.000 0.000 0.318 109 V C -0.271 175.832 176.094 0.016 0.000 1.077 109 V CA -0.864 61.441 62.300 0.007 0.000 1.000 109 V CB 2.025 33.850 31.823 0.004 0.000 1.066 109 V HN 0.584 nan 8.190 nan 0.000 0.452 110 N N 1.108 119.834 118.700 0.043 0.000 2.264 110 N HA 0.479 5.219 4.740 -0.000 0.000 0.288 110 N C -0.163 175.383 175.510 0.059 0.000 1.094 110 N CA -0.671 52.420 53.050 0.068 0.000 0.817 110 N CB 2.826 41.403 38.487 0.150 0.000 1.604 110 N HN 0.764 nan 8.380 nan 0.000 0.473 111 R N 1.096 121.620 120.500 0.039 0.000 2.397 111 R HA 0.320 4.660 4.340 -0.000 0.000 0.241 111 R C 0.486 176.905 176.300 0.199 0.000 0.914 111 R CA -0.098 56.042 56.100 0.067 0.000 1.071 111 R CB 0.722 30.961 30.300 -0.101 0.000 1.116 111 R HN 0.718 nan 8.270 nan 0.000 0.524 112 G N 0.242 109.148 108.800 0.177 0.000 2.334 112 G HA2 0.239 4.199 3.960 -0.000 0.000 0.566 112 G HA3 0.239 4.199 3.960 -0.000 0.000 0.566 112 G C -1.427 173.590 174.900 0.194 0.000 1.413 112 G CA -0.513 44.710 45.100 0.206 0.000 0.993 112 G HN 0.176 nan 8.290 nan 0.000 0.642 113 A N -0.463 122.462 122.820 0.176 0.000 2.248 113 A HA 1.119 5.439 4.320 -0.000 0.000 0.316 113 A C 0.708 178.404 177.584 0.188 0.000 1.101 113 A CA 0.747 52.890 52.037 0.177 0.000 0.875 113 A CB 1.199 20.240 19.000 0.069 0.000 1.207 113 A HN 2.644 nan 8.150 nan 0.000 0.504 114 A N -0.756 122.193 122.820 0.216 0.000 2.483 114 A HA 0.852 5.171 4.320 -0.000 0.000 0.286 114 A C -0.897 176.838 177.584 0.253 0.000 1.207 114 A CA -0.473 51.703 52.037 0.232 0.000 0.764 114 A CB 1.056 20.192 19.000 0.227 0.000 1.341 114 A HN 1.524 nan 8.150 nan 0.000 0.428 115 I N -0.962 119.769 120.570 0.268 0.000 2.752 115 I HA 0.692 4.862 4.170 -0.000 0.000 0.295 115 I C -2.284 174.067 176.117 0.389 0.000 1.219 115 I CA -0.598 60.852 61.300 0.251 0.000 1.030 115 I CB 2.202 40.230 38.000 0.047 0.000 1.259 115 I HN 0.842 nan 8.210 nan 0.000 0.423 116 Y N 6.047 126.491 120.300 0.240 0.000 2.521 116 Y HA 0.567 5.117 4.550 -0.000 0.000 0.328 116 Y C 0.273 176.277 175.900 0.173 0.000 1.151 116 Y CA 0.380 58.615 58.100 0.225 0.000 1.054 116 Y CB 1.578 40.199 38.460 0.269 0.000 1.338 116 Y HN 0.985 nan 8.280 nan 0.000 0.453 117 G N 4.168 112.536 108.800 -0.720 0.000 2.665 117 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.326 117 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.326 117 G C 0.252 175.041 174.900 -0.186 0.000 1.231 117 G CA 1.139 45.969 45.100 -0.450 0.000 0.992 117 G HN 1.229 nan 8.290 nan 0.000 0.549 118 D N 1.076 121.397 120.400 -0.131 0.000 2.427 118 D HA 0.339 4.979 4.640 -0.000 0.000 0.224 118 D C 0.591 176.796 176.300 -0.158 0.000 1.157 118 D CA 0.263 54.198 54.000 -0.107 0.000 0.828 118 D CB 0.174 40.924 40.800 -0.084 0.000 0.974 118 D HN 0.613 nan 8.370 nan 0.000 0.498 119 K N 0.069 120.356 120.400 -0.188 0.000 2.375 119 K HA 0.574 4.893 4.320 -0.000 0.000 0.249 119 K C -0.711 175.566 176.600 -0.539 0.000 0.942 119 K CA -1.180 54.865 56.287 -0.403 0.000 0.806 119 K CB 3.183 35.373 32.500 -0.517 0.000 1.227 119 K HN -0.023 nan 8.250 nan 0.000 0.430 120 V N -0.932 118.570 119.914 -0.686 0.000 2.769 120 V HA 0.714 4.834 4.120 -0.000 0.000 0.312 120 V C -0.943 174.704 176.094 -0.746 0.000 1.058 120 V CA -0.852 61.107 62.300 -0.568 0.000 0.952 120 V CB 0.780 32.312 31.823 -0.485 0.000 1.019 120 V HN 0.569 nan 8.190 nan 0.000 0.445 121 F N 3.796 123.709 119.950 -0.062 0.000 2.565 121 F HA 0.899 5.426 4.527 -0.000 0.000 0.313 121 F C -0.532 175.368 175.800 0.167 0.000 1.091 121 F CA -0.668 57.327 58.000 -0.009 0.000 0.915 121 F CB 2.183 41.176 39.000 -0.011 0.000 1.208 121 F HN 0.804 nan 8.300 nan 0.000 0.453 122 F N -0.295 119.675 119.950 0.033 0.000 2.693 122 F HA 0.885 5.411 4.527 -0.000 0.000 0.309 122 F C -0.619 175.165 175.800 -0.027 0.000 1.129 122 F CA -2.120 55.889 58.000 0.016 0.000 0.948 122 F CB 0.787 39.797 39.000 0.017 0.000 1.315 122 F HN 0.643 nan 8.300 nan 0.000 0.447 123 G N 0.506 109.217 108.800 -0.148 0.000 2.448 123 G HA2 0.544 4.503 3.960 -0.000 0.000 0.285 123 G HA3 0.544 4.503 3.960 -0.000 0.000 0.285 123 G C -0.810 173.794 174.900 -0.493 0.000 1.176 123 G CA -0.166 44.761 45.100 -0.289 0.000 0.852 123 G HN 1.059 nan 8.290 nan 0.000 0.530 124 T N -0.466 113.783 114.554 -0.507 0.000 2.940 124 T HA 0.385 4.735 4.350 -0.000 0.000 0.288 124 T C 0.912 175.464 174.700 -0.246 0.000 1.033 124 T CA -0.914 60.902 62.100 -0.473 0.000 1.033 124 T CB 1.559 69.923 68.868 -0.841 0.000 1.079 124 T HN 0.055 nan 8.240 nan 0.000 0.496 125 L N 1.632 122.756 121.223 -0.165 0.000 2.622 125 L HA 0.122 4.461 4.340 -0.000 0.000 0.233 125 L C 1.333 178.130 176.870 -0.122 0.000 1.156 125 L CA 1.165 55.946 54.840 -0.098 0.000 0.866 125 L CB -1.439 40.584 42.059 -0.059 0.000 0.980 125 L HN 0.858 nan 8.230 nan 0.000 0.448 126 D N -1.231 119.056 120.400 -0.187 0.000 2.525 126 D HA 0.218 4.857 4.640 -0.000 0.000 0.229 126 D C 0.740 176.896 176.300 -0.241 0.000 1.202 126 D CA 0.051 53.895 54.000 -0.261 0.000 0.828 126 D CB -0.091 40.494 40.800 -0.359 0.000 1.008 126 D HN 0.019 nan 8.370 nan 0.000 0.493 127 A N -0.054 122.588 122.820 -0.297 0.000 2.091 127 A HA -0.028 4.291 4.320 -0.000 0.000 0.270 127 A C -0.006 177.027 177.584 -0.918 0.000 1.368 127 A CA 0.811 52.462 52.037 -0.643 0.000 0.745 127 A CB -2.021 16.405 19.000 -0.958 0.000 1.173 127 A HN 0.345 nan 8.150 nan 0.000 0.322 128 S N -1.023 114.422 115.700 -0.425 0.000 2.632 128 S HA 0.802 5.271 4.470 -0.000 0.000 0.289 128 S C -0.216 174.334 174.600 -0.083 0.000 1.115 128 S CA -0.384 57.690 58.200 -0.210 0.000 0.889 128 S CB 2.276 65.379 63.200 -0.161 0.000 1.116 128 S HN 1.159 nan 8.310 nan 0.000 0.486 129 V N 1.648 121.539 119.914 -0.037 0.000 2.540 129 V HA 0.655 4.775 4.120 -0.000 0.000 0.302 129 V C -0.736 175.291 176.094 -0.112 0.000 1.035 129 V CA -0.605 61.626 62.300 -0.115 0.000 0.873 129 V CB 1.545 33.303 31.823 -0.109 0.000 0.992 129 V HN 0.684 nan 8.190 nan 0.000 0.428 130 V N 2.865 122.585 119.914 -0.322 0.000 2.680 130 V HA 0.889 5.009 4.120 -0.000 0.000 0.309 130 V C 0.111 175.821 176.094 -0.639 0.000 1.052 130 V CA -0.583 61.461 62.300 -0.426 0.000 0.908 130 V CB 2.058 33.670 31.823 -0.352 0.000 1.001 130 V HN 1.033 nan 8.190 nan 0.000 0.431 131 A N 4.990 127.200 122.820 -1.017 0.000 2.318 131 A HA 0.916 5.236 4.320 -0.000 0.000 0.317 131 A C -1.100 176.006 177.584 -0.797 0.000 1.159 131 A CA -0.449 50.921 52.037 -1.113 0.000 0.799 131 A CB 0.795 18.823 19.000 -1.619 0.000 1.194 131 A HN 0.755 nan 8.150 nan 0.000 0.479 132 L N 2.369 123.162 121.223 -0.715 0.000 2.346 132 L HA 0.415 4.755 4.340 -0.000 0.000 0.274 132 L C 0.601 177.161 176.870 -0.517 0.000 1.007 132 L CA -0.795 53.694 54.840 -0.585 0.000 0.818 132 L CB 1.638 43.386 42.059 -0.519 0.000 1.284 132 L HN 0.800 nan 8.230 nan 0.000 0.424 133 N N 2.704 121.132 118.700 -0.453 0.000 2.447 133 N HA -0.050 4.689 4.740 -0.000 0.000 0.263 133 N C 0.780 176.119 175.510 -0.285 0.000 1.226 133 N CA 0.197 53.043 53.050 -0.342 0.000 0.906 133 N CB 0.946 39.254 38.487 -0.299 0.000 1.060 133 N HN 0.657 nan 8.380 nan 0.000 0.468 134 K N 3.409 123.715 120.400 -0.157 0.000 2.103 134 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 134 K C 0.905 177.687 176.600 0.303 0.000 1.048 134 K CA 1.277 57.588 56.287 0.040 0.000 0.930 134 K CB 0.162 32.656 32.500 -0.012 0.000 0.716 134 K HN 0.619 nan 8.250 nan 0.000 0.444 135 N N -0.374 118.393 118.700 0.111 0.000 2.290 135 N HA -0.077 4.663 4.740 -0.000 0.000 0.179 135 N C 1.299 176.879 175.510 0.118 0.000 1.016 135 N CA 0.729 53.869 53.050 0.151 0.000 0.871 135 N CB 0.189 38.700 38.487 0.040 0.000 0.987 135 N HN 0.137 nan 8.380 nan 0.000 0.431 136 T N -1.851 112.575 114.554 -0.213 0.000 2.718 136 T HA 0.578 4.928 4.350 -0.000 0.000 0.267 136 T C 0.188 173.913 174.700 -1.625 0.000 0.957 136 T CA -0.604 61.093 62.100 -0.672 0.000 1.025 136 T CB 1.504 70.141 68.868 -0.386 0.000 1.355 136 T HN 0.039 nan 8.240 nan 0.000 0.572 137 G N 1.243 109.073 108.800 -1.616 0.000 3.936 137 G HA2 0.296 4.256 3.960 -0.000 0.000 0.296 137 G HA3 0.296 4.256 3.960 -0.000 0.000 0.296 137 G C -0.219 174.191 174.900 -0.816 0.000 1.121 137 G CA -0.481 43.498 45.100 -1.868 0.000 0.899 137 G HN 0.631 nan 8.290 nan 0.000 0.542 138 K N 0.310 120.357 120.400 -0.588 0.000 2.326 138 K HA 0.346 4.666 4.320 -0.000 0.000 0.275 138 K C -0.003 176.373 176.600 -0.375 0.000 1.018 138 K CA -0.634 55.435 56.287 -0.363 0.000 0.962 138 K CB 1.992 34.342 32.500 -0.250 0.000 0.953 138 K HN -0.100 nan 8.250 nan 0.000 0.475 139 V N 3.601 123.337 119.914 -0.297 0.000 2.485 139 V HA -0.088 4.032 4.120 -0.000 0.000 0.287 139 V C 1.364 177.322 176.094 -0.227 0.000 1.022 139 V CA 0.023 62.140 62.300 -0.304 0.000 1.067 139 V CB 0.757 32.462 31.823 -0.197 0.000 0.967 139 V HN 0.684 nan 8.190 nan 0.000 0.479 140 V N 4.616 124.366 119.914 -0.273 0.000 2.500 140 V HA 0.127 4.247 4.120 -0.000 0.000 0.243 140 V C 0.553 176.667 176.094 0.033 0.000 1.039 140 V CA 1.109 63.325 62.300 -0.140 0.000 1.053 140 V CB -0.163 31.546 31.823 -0.190 0.000 0.695 140 V HN 0.963 nan 8.190 nan 0.000 0.463 141 W N 0.898 122.165 121.300 -0.055 0.000 3.025 141 W HA 0.680 5.340 4.660 -0.000 0.000 0.343 141 W C -1.438 175.064 176.519 -0.029 0.000 1.246 141 W CA -1.156 56.172 57.345 -0.028 0.000 1.178 141 W CB 1.599 31.057 29.460 -0.002 0.000 1.463 141 W HN 0.127 nan 8.180 nan 0.000 0.578 142 K N 1.398 122.082 120.400 0.474 0.000 2.580 142 K HA 0.447 4.766 4.320 -0.000 0.000 0.258 142 K C -1.642 175.147 176.600 0.315 0.000 0.936 142 K CA -0.885 55.599 56.287 0.328 0.000 0.852 142 K CB 2.088 34.643 32.500 0.092 0.000 1.329 142 K HN 0.163 nan 8.250 nan 0.000 0.430 143 K N 2.658 123.233 120.400 0.291 0.000 2.502 143 K HA 0.282 4.602 4.320 -0.000 0.000 0.254 143 K C -1.360 175.285 176.600 0.075 0.000 0.947 143 K CA -0.701 55.675 56.287 0.147 0.000 0.834 143 K CB 1.783 34.353 32.500 0.117 0.000 1.112 143 K HN 0.693 nan 8.250 nan 0.000 0.427 144 K N 3.137 123.534 120.400 -0.005 0.000 2.285 144 K HA 0.183 4.503 4.320 -0.000 0.000 0.286 144 K C 0.236 176.736 176.600 -0.166 0.000 1.072 144 K CA -0.184 56.026 56.287 -0.127 0.000 0.913 144 K CB 0.067 32.515 32.500 -0.086 0.000 1.067 144 K HN 0.491 nan 8.250 nan 0.000 0.479 145 F N 2.149 121.976 119.950 -0.205 0.000 2.678 145 F HA 0.566 5.093 4.527 -0.000 0.000 0.305 145 F C 0.144 175.785 175.800 -0.265 0.000 1.090 145 F CA -0.577 57.239 58.000 -0.307 0.000 1.272 145 F CB 0.485 39.122 39.000 -0.604 0.000 1.060 145 F HN 0.382 nan 8.300 nan 0.000 0.576 146 A N -0.011 122.500 122.820 -0.514 0.000 2.540 146 A HA 0.451 4.771 4.320 -0.000 0.000 0.291 146 A C -1.951 175.461 177.584 -0.288 0.000 1.083 146 A CA -0.732 51.046 52.037 -0.431 0.000 0.650 146 A CB 0.359 18.879 19.000 -0.799 0.000 1.292 146 A HN 0.039 nan 8.150 nan 0.000 0.435 147 D N 0.310 120.628 120.400 -0.137 0.000 2.380 147 D HA 0.271 4.911 4.640 -0.000 0.000 0.230 147 D C 1.427 177.721 176.300 -0.009 0.000 1.154 147 D CA -0.024 53.946 54.000 -0.051 0.000 0.859 147 D CB 0.338 41.118 40.800 -0.032 0.000 1.045 147 D HN 0.601 nan 8.370 nan 0.000 0.495 148 H N 2.541 121.575 119.070 -0.060 0.000 2.456 148 H HA -0.069 4.487 4.556 -0.000 0.000 0.296 148 H C 1.487 176.769 175.328 -0.076 0.000 1.079 148 H CA 1.289 57.300 56.048 -0.062 0.000 1.322 148 H CB -0.412 29.296 29.762 -0.091 0.000 1.388 148 H HN 0.466 nan 8.280 nan 0.000 0.538 149 G N 0.482 108.906 108.800 -0.628 0.000 2.448 149 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 149 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 149 G C 1.732 176.521 174.900 -0.186 0.000 1.127 149 G CA 0.853 45.722 45.100 -0.384 0.000 0.766 149 G HN 0.666 nan 8.290 nan 0.000 0.552 150 A N -0.708 122.052 122.820 -0.100 0.000 2.275 150 A HA 0.518 4.838 4.320 -0.000 0.000 0.212 150 A C 1.796 179.357 177.584 -0.038 0.000 1.201 150 A CA 1.164 53.196 52.037 -0.009 0.000 0.843 150 A CB -0.193 18.864 19.000 0.095 0.000 0.873 150 A HN 1.481 nan 8.150 nan 0.000 0.492 151 G N -2.370 106.343 108.800 -0.145 0.000 2.184 151 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.206 151 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.206 151 G C -0.110 174.701 174.900 -0.148 0.000 0.995 151 G CA -0.136 44.782 45.100 -0.304 0.000 0.651 151 G HN 0.323 nan 8.290 nan 0.000 0.511 152 Y N 2.202 122.479 120.300 -0.037 0.000 2.309 152 Y HA 0.521 5.071 4.550 -0.000 0.000 0.327 152 Y C 1.421 177.314 175.900 -0.012 0.000 1.172 152 Y CA 1.058 59.174 58.100 0.027 0.000 1.280 152 Y CB 1.307 39.789 38.460 0.037 0.000 1.234 152 Y HN 0.277 nan 8.280 nan 0.000 0.512 153 T N 0.695 115.368 114.554 0.198 0.000 2.645 153 T HA 0.611 4.961 4.350 -0.000 0.000 0.273 153 T C -0.945 173.884 174.700 0.214 0.000 0.960 153 T CA -1.167 61.002 62.100 0.114 0.000 1.051 153 T CB 1.796 70.704 68.868 0.066 0.000 1.366 153 T HN 0.439 nan 8.240 nan 0.000 0.536 154 M N 1.916 121.608 119.600 0.154 0.000 2.322 154 M HA 0.415 4.895 4.480 -0.000 0.000 0.286 154 M C -0.439 175.925 176.300 0.106 0.000 1.111 154 M CA -0.430 54.988 55.300 0.197 0.000 0.941 154 M CB 2.056 34.803 32.600 0.244 0.000 1.671 154 M HN 1.116 nan 8.290 nan 0.000 0.470 155 T N -0.404 114.228 114.554 0.130 0.000 3.048 155 T HA 0.304 4.654 4.350 -0.000 0.000 0.254 155 T C 0.795 175.529 174.700 0.057 0.000 0.942 155 T CA 0.436 62.584 62.100 0.081 0.000 0.931 155 T CB 0.041 68.950 68.868 0.068 0.000 1.220 155 T HN 0.725 nan 8.240 nan 0.000 0.503 156 G N 1.506 110.356 108.800 0.084 0.000 2.527 156 G HA2 0.549 4.509 3.960 -0.000 0.000 0.248 156 G HA3 0.549 4.509 3.960 -0.000 0.000 0.248 156 G C 0.185 175.057 174.900 -0.046 0.000 1.231 156 G CA -0.233 44.856 45.100 -0.018 0.000 0.838 156 G HN 0.749 nan 8.290 nan 0.000 0.570 157 A N 3.212 125.923 122.820 -0.182 0.000 2.477 157 A HA 0.557 4.877 4.320 -0.000 0.000 0.246 157 A C -1.502 176.068 177.584 -0.024 0.000 1.078 157 A CA -0.853 51.127 52.037 -0.094 0.000 0.770 157 A CB 0.149 19.056 19.000 -0.156 0.000 1.011 157 A HN 0.562 nan 8.150 nan 0.000 0.494 158 P HA 0.449 nan 4.420 nan 0.000 0.277 158 P C -0.032 177.320 177.300 0.087 0.000 1.276 158 P CA -0.096 63.049 63.100 0.076 0.000 0.788 158 P CB 0.883 32.631 31.700 0.079 0.000 1.114 159 T N -0.585 114.006 114.554 0.062 0.000 2.816 159 T HA 0.582 4.932 4.350 -0.000 0.000 0.299 159 T C -0.917 173.792 174.700 0.016 0.000 1.230 159 T CA -0.220 61.934 62.100 0.090 0.000 1.007 159 T CB 0.709 69.656 68.868 0.131 0.000 1.289 159 T HN 0.089 nan 8.240 nan 0.000 0.508 160 I N 1.598 122.189 120.570 0.037 0.000 2.474 160 I HA 0.703 4.873 4.170 -0.000 0.000 0.294 160 I C -0.545 175.545 176.117 -0.045 0.000 1.005 160 I CA -0.479 60.792 61.300 -0.049 0.000 1.113 160 I CB 1.903 39.887 38.000 -0.026 0.000 1.289 160 I HN 0.274 nan 8.210 nan 0.000 0.436 161 V N 5.020 124.730 119.914 -0.340 0.000 3.078 161 V HA 0.524 4.644 4.120 -0.000 0.000 0.311 161 V C -0.768 174.709 176.094 -1.030 0.000 1.138 161 V CA -0.960 60.886 62.300 -0.757 0.000 1.007 161 V CB 2.622 34.010 31.823 -0.725 0.000 1.045 161 V HN 0.673 nan 8.190 nan 0.000 0.432 162 K N 2.397 121.834 120.400 -1.605 0.000 2.425 162 K HA 0.376 4.696 4.320 -0.000 0.000 0.259 162 K C -0.756 175.456 176.600 -0.648 0.000 0.978 162 K CA -0.521 55.033 56.287 -1.221 0.000 0.883 162 K CB 0.950 32.440 32.500 -1.684 0.000 1.110 162 K HN 0.697 nan 8.250 nan 0.000 0.436 163 D N 3.578 123.760 120.400 -0.363 0.000 2.401 163 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 163 D C 0.997 177.245 176.300 -0.086 0.000 1.192 163 D CA 0.310 54.240 54.000 -0.115 0.000 0.885 163 D CB 1.317 42.083 40.800 -0.057 0.000 1.147 163 D HN 0.749 nan 8.370 nan 0.000 0.478 164 G N 4.077 112.887 108.800 0.017 0.000 2.443 164 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 164 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 164 G C 1.444 176.358 174.900 0.023 0.000 1.131 164 G CA 0.667 45.788 45.100 0.035 0.000 0.775 164 G HN 0.520 nan 8.290 nan 0.000 0.547 165 K N -0.743 119.669 120.400 0.019 0.000 2.044 165 K HA 0.035 4.354 4.320 -0.000 0.000 0.204 165 K C 2.479 179.081 176.600 0.002 0.000 1.049 165 K CA 1.444 57.739 56.287 0.014 0.000 0.945 165 K CB -0.141 32.368 32.500 0.014 0.000 0.724 165 K HN 0.166 nan 8.250 nan 0.000 0.440 166 T N -1.717 112.831 114.554 -0.009 0.000 3.051 166 T HA 0.130 4.480 4.350 -0.000 0.000 0.255 166 T C 1.007 175.689 174.700 -0.030 0.000 1.085 166 T CA 0.981 63.070 62.100 -0.017 0.000 1.109 166 T CB 0.049 68.907 68.868 -0.017 0.000 0.921 166 T HN 0.564 nan 8.240 nan 0.000 0.488 167 G N 1.389 110.160 108.800 -0.047 0.000 2.234 167 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 167 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 167 G C 0.246 175.085 174.900 -0.101 0.000 0.987 167 G CA 0.315 45.379 45.100 -0.060 0.000 0.625 167 G HN 0.537 nan 8.290 nan 0.000 0.532 168 K N 0.658 120.991 120.400 -0.112 0.000 2.270 168 K HA 0.472 4.792 4.320 -0.000 0.000 0.276 168 K C 0.312 176.769 176.600 -0.239 0.000 1.023 168 K CA -0.307 55.898 56.287 -0.137 0.000 0.955 168 K CB 1.112 33.547 32.500 -0.108 0.000 0.975 168 K HN 0.037 nan 8.250 nan 0.000 0.471 169 V N 6.080 125.841 119.914 -0.255 0.000 2.432 169 V HA 0.279 4.399 4.120 -0.000 0.000 0.275 169 V C 0.089 175.949 176.094 -0.390 0.000 1.043 169 V CA -0.548 61.512 62.300 -0.400 0.000 0.925 169 V CB 0.843 32.403 31.823 -0.439 0.000 0.985 169 V HN 0.581 nan 8.190 nan 0.000 0.466 170 L N 5.141 126.108 121.223 -0.428 0.000 2.333 170 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 170 L C -0.633 176.001 176.870 -0.392 0.000 1.010 170 L CA -0.810 53.797 54.840 -0.388 0.000 0.818 170 L CB 2.020 43.855 42.059 -0.372 0.000 1.306 170 L HN 0.475 nan 8.230 nan 0.000 0.430 171 L N 3.394 124.391 121.223 -0.377 0.000 2.272 171 L HA 0.515 4.855 4.340 -0.000 0.000 0.289 171 L C -0.763 175.922 176.870 -0.308 0.000 1.032 171 L CA -0.090 54.546 54.840 -0.340 0.000 0.810 171 L CB 0.729 42.558 42.059 -0.384 0.000 1.205 171 L HN 0.300 nan 8.230 nan 0.000 0.422 172 I N 6.118 126.545 120.570 -0.239 0.000 2.336 172 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 172 I C -0.098 175.967 176.117 -0.087 0.000 0.991 172 I CA -0.254 60.912 61.300 -0.224 0.000 1.227 172 I CB 0.706 38.625 38.000 -0.136 0.000 1.366 172 I HN 0.762 nan 8.210 nan 0.000 0.466 173 H N 3.443 122.434 119.070 -0.133 0.000 2.996 173 H HA 0.689 5.245 4.556 -0.000 0.000 0.368 173 H C -0.760 174.544 175.328 -0.041 0.000 1.185 173 H CA -0.760 55.234 56.048 -0.090 0.000 1.160 173 H CB 1.742 31.418 29.762 -0.143 0.000 1.820 173 H HN 0.598 nan 8.280 nan 0.000 0.547 174 G N 0.741 109.628 108.800 0.145 0.000 2.782 174 G HA2 0.548 4.508 3.960 -0.000 0.000 0.201 174 G HA3 0.548 4.508 3.960 -0.000 0.000 0.201 174 G C -0.819 174.255 174.900 0.290 0.000 1.374 174 G CA -0.166 45.024 45.100 0.149 0.000 1.039 174 G HN 0.920 nan 8.290 nan 0.000 0.576 175 S N -2.546 113.359 115.700 0.341 0.000 2.625 175 S HA 0.734 5.204 4.470 -0.000 0.000 0.271 175 S C -0.912 173.961 174.600 0.454 0.000 1.161 175 S CA -0.460 58.033 58.200 0.488 0.000 0.820 175 S CB 1.610 65.189 63.200 0.632 0.000 1.137 175 S HN 1.123 nan 8.310 nan 0.000 0.470 176 S N -1.228 114.734 115.700 0.438 0.000 2.564 176 S HA 0.800 5.270 4.470 -0.000 0.000 0.274 176 S C 0.022 174.754 174.600 0.219 0.000 1.124 176 S CA 0.207 58.599 58.200 0.319 0.000 0.869 176 S CB 1.162 64.506 63.200 0.240 0.000 1.105 176 S HN 2.492 nan 8.310 nan 0.000 0.472 177 G N 2.799 111.680 108.800 0.136 0.000 2.321 177 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 177 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 177 G C 0.034 175.022 174.900 0.148 0.000 1.057 177 G CA 0.052 45.232 45.100 0.134 0.000 0.849 177 G HN 0.620 nan 8.290 nan 0.000 0.520 178 D N 0.536 121.024 120.400 0.147 0.000 2.219 178 D HA -0.030 4.609 4.640 -0.000 0.000 0.205 178 D C 1.867 178.279 176.300 0.186 0.000 0.970 178 D CA 0.981 55.091 54.000 0.183 0.000 0.851 178 D CB 0.268 41.202 40.800 0.225 0.000 0.943 178 D HN 0.458 nan 8.370 nan 0.000 0.488 179 E N -0.658 119.606 120.200 0.106 0.000 2.516 179 E HA -0.009 4.341 4.350 -0.000 0.000 0.199 179 E C 0.602 177.034 176.600 -0.281 0.000 1.069 179 E CA 0.202 56.540 56.400 -0.103 0.000 0.876 179 E CB -0.179 29.375 29.700 -0.243 0.000 0.843 179 E HN 0.323 nan 8.360 nan 0.000 0.530 180 F N -0.900 119.116 119.950 0.109 0.000 2.688 180 F HA 0.333 4.859 4.527 -0.000 0.000 0.310 180 F C 1.033 176.899 175.800 0.110 0.000 1.098 180 F CA -0.014 58.039 58.000 0.088 0.000 1.228 180 F CB 1.100 40.111 39.000 0.019 0.000 1.042 180 F HN -0.033 nan 8.300 nan 0.000 0.557 181 G N 1.808 110.785 108.800 0.295 0.000 2.401 181 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.283 181 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.283 181 G C -0.616 174.341 174.900 0.094 0.000 1.117 181 G CA -0.097 45.098 45.100 0.159 0.000 1.051 181 G HN 0.170 nan 8.290 nan 0.000 0.510 182 V N -0.331 119.586 119.914 0.004 0.000 3.166 182 V HA 0.700 4.820 4.120 -0.000 0.000 0.317 182 V C 0.627 176.625 176.094 -0.161 0.000 1.136 182 V CA -0.829 61.341 62.300 -0.216 0.000 1.035 182 V CB 2.275 33.786 31.823 -0.519 0.000 1.110 182 V HN 0.403 nan 8.190 nan 0.000 0.450 183 V N 2.093 121.916 119.914 -0.152 0.000 2.318 183 V HA 0.411 4.531 4.120 -0.000 0.000 0.271 183 V C 0.856 176.941 176.094 -0.015 0.000 1.030 183 V CA -0.377 61.795 62.300 -0.212 0.000 0.844 183 V CB 0.789 32.368 31.823 -0.407 0.000 1.015 183 V HN 1.008 nan 8.190 nan 0.000 0.460 184 G N 5.863 114.664 108.800 0.001 0.000 2.202 184 G HA2 0.236 4.196 3.960 -0.000 0.000 0.251 184 G HA3 0.236 4.196 3.960 -0.000 0.000 0.251 184 G C 0.027 174.893 174.900 -0.057 0.000 1.219 184 G CA -0.141 45.016 45.100 0.095 0.000 0.943 184 G HN 0.723 nan 8.290 nan 0.000 0.465 185 R N 1.341 121.798 120.500 -0.070 0.000 2.686 185 R HA 0.531 4.871 4.340 -0.000 0.000 0.286 185 R C -0.931 175.000 176.300 -0.616 0.000 0.969 185 R CA -0.974 54.864 56.100 -0.437 0.000 0.898 185 R CB 2.215 32.202 30.300 -0.521 0.000 1.183 185 R HN 0.437 nan 8.270 nan 0.000 0.456 186 L N 2.328 123.062 121.223 -0.815 0.000 2.325 186 L HA 0.623 4.963 4.340 -0.000 0.000 0.278 186 L C -1.512 174.938 176.870 -0.700 0.000 1.023 186 L CA -0.142 54.354 54.840 -0.573 0.000 0.811 186 L CB 0.953 42.765 42.059 -0.412 0.000 1.249 186 L HN 0.487 nan 8.230 nan 0.000 0.431 187 F N 2.977 122.590 119.950 -0.562 0.000 2.576 187 F HA 0.797 5.324 4.527 -0.000 0.000 0.313 187 F C -0.030 175.163 175.800 -1.012 0.000 1.078 187 F CA -0.552 57.005 58.000 -0.737 0.000 0.921 187 F CB 2.088 40.482 39.000 -1.009 0.000 1.232 187 F HN 0.566 nan 8.300 nan 0.000 0.459 188 A N 3.127 125.319 122.820 -1.046 0.000 2.343 188 A HA 0.943 5.263 4.320 -0.000 0.000 0.316 188 A C -0.735 176.444 177.584 -0.675 0.000 1.104 188 A CA -0.737 50.603 52.037 -1.161 0.000 0.768 188 A CB 1.244 19.167 19.000 -1.794 0.000 1.213 188 A HN 0.859 nan 8.150 nan 0.000 0.456 189 R N 1.045 121.252 120.500 -0.488 0.000 2.725 189 R HA 0.364 4.704 4.340 -0.000 0.000 0.277 189 R C -1.484 174.610 176.300 -0.344 0.000 0.987 189 R CA -0.940 54.935 56.100 -0.376 0.000 0.901 189 R CB 1.945 32.050 30.300 -0.325 0.000 1.207 189 R HN 0.844 nan 8.270 nan 0.000 0.463 190 D N 2.448 122.658 120.400 -0.317 0.000 2.425 190 D HA 0.061 4.700 4.640 -0.000 0.000 0.247 190 D C -1.655 174.523 176.300 -0.203 0.000 1.147 190 D CA -1.866 51.988 54.000 -0.244 0.000 0.879 190 D CB 1.311 41.989 40.800 -0.203 0.000 1.179 190 D HN 0.124 nan 8.370 nan 0.000 0.456 191 P HA -0.052 nan 4.420 nan 0.000 0.217 191 P C 0.452 178.031 177.300 0.464 0.000 1.151 191 P CA 0.906 64.074 63.100 0.114 0.000 0.828 191 P CB 0.303 32.030 31.700 0.044 0.000 0.788 192 D N -1.339 119.236 120.400 0.291 0.000 2.213 192 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 192 D C 1.756 178.154 176.300 0.164 0.000 0.961 192 D CA 1.771 55.961 54.000 0.315 0.000 0.853 192 D CB -0.537 40.369 40.800 0.177 0.000 0.967 192 D HN 0.304 nan 8.370 nan 0.000 0.496 193 T N -3.593 110.859 114.554 -0.169 0.000 3.023 193 T HA 0.370 4.720 4.350 -0.000 0.000 0.249 193 T C 1.766 175.790 174.700 -1.126 0.000 1.050 193 T CA 0.836 62.694 62.100 -0.403 0.000 1.088 193 T CB 0.956 69.682 68.868 -0.235 0.000 0.946 193 T HN 0.198 nan 8.240 nan 0.000 0.480 194 G N 1.567 109.461 108.800 -1.510 0.000 2.213 194 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 194 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 194 G C -0.086 174.268 174.900 -0.910 0.000 0.991 194 G CA 0.129 43.960 45.100 -2.114 0.000 0.629 194 G HN 0.857 nan 8.290 nan 0.000 0.517 195 E N 1.488 121.338 120.200 -0.584 0.000 2.606 195 E HA 0.182 4.532 4.350 -0.000 0.000 0.248 195 E C 0.511 176.944 176.600 -0.278 0.000 1.005 195 E CA -0.073 56.121 56.400 -0.342 0.000 0.946 195 E CB 0.092 29.636 29.700 -0.260 0.000 0.928 195 E HN 0.444 nan 8.360 nan 0.000 0.494 196 E N 5.114 125.191 120.200 -0.205 0.000 2.752 196 E HA -0.128 4.221 4.350 -0.000 0.000 0.241 196 E C 0.900 177.413 176.600 -0.145 0.000 1.016 196 E CA -0.361 55.948 56.400 -0.152 0.000 0.952 196 E CB 0.374 30.045 29.700 -0.049 0.000 0.921 196 E HN 0.574 nan 8.360 nan 0.000 0.515 197 I N 5.739 126.182 120.570 -0.212 0.000 2.277 197 I HA -0.062 4.108 4.170 -0.000 0.000 0.243 197 I C 0.939 177.049 176.117 -0.011 0.000 1.094 197 I CA 1.124 62.328 61.300 -0.158 0.000 1.393 197 I CB -1.058 36.775 38.000 -0.278 0.000 1.078 197 I HN 0.596 nan 8.210 nan 0.000 0.417 198 W N -0.272 120.973 121.300 -0.091 0.000 3.074 198 W HA 0.593 5.253 4.660 -0.000 0.000 0.332 198 W C -1.324 175.107 176.519 -0.146 0.000 1.253 198 W CA -0.984 56.293 57.345 -0.112 0.000 1.180 198 W CB 1.778 31.160 29.460 -0.130 0.000 1.445 198 W HN -0.247 nan 8.180 nan 0.000 0.573 199 M N 3.659 123.368 119.600 0.182 0.000 2.238 199 M HA 0.441 4.920 4.480 -0.000 0.000 0.278 199 M C -1.963 174.237 176.300 -0.167 0.000 1.040 199 M CA -0.554 54.654 55.300 -0.153 0.000 0.969 199 M CB 2.399 34.843 32.600 -0.261 0.000 1.694 199 M HN 0.683 nan 8.290 nan 0.000 0.472 200 R N 6.538 126.865 120.500 -0.287 0.000 2.439 200 R HA 0.800 5.139 4.340 -0.000 0.000 0.310 200 R C -2.883 173.127 176.300 -0.484 0.000 0.955 200 R CA -1.401 54.495 56.100 -0.339 0.000 0.853 200 R CB 1.388 31.481 30.300 -0.345 0.000 1.171 200 R HN 0.361 nan 8.270 nan 0.000 0.449 201 P HA 0.257 nan 4.420 nan 0.000 0.288 201 P C -0.449 176.774 177.300 -0.128 0.000 1.267 201 P CA -0.374 62.548 63.100 -0.296 0.000 0.815 201 P CB 0.564 32.141 31.700 -0.205 0.000 0.989 202 F N 0.515 120.388 119.950 -0.129 0.000 2.695 202 F HA 0.142 4.668 4.527 -0.000 0.000 0.303 202 F C 0.890 176.707 175.800 0.029 0.000 1.091 202 F CA -0.553 57.409 58.000 -0.063 0.000 1.300 202 F CB -0.053 38.937 39.000 -0.017 0.000 1.071 202 F HN 0.042 nan 8.300 nan 0.000 0.578 203 V N 0.968 120.935 119.914 0.087 0.000 2.432 203 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 203 V C 0.335 176.515 176.094 0.143 0.000 1.043 203 V CA -0.622 61.680 62.300 0.004 0.000 0.925 203 V CB 1.120 32.692 31.823 -0.419 0.000 0.985 203 V HN 0.257 nan 8.190 nan 0.000 0.466 204 E N 5.050 125.422 120.200 0.286 0.000 2.480 204 E HA 0.310 4.659 4.350 -0.000 0.000 0.258 204 E C 1.108 177.930 176.600 0.370 0.000 0.984 204 E CA 0.978 57.603 56.400 0.376 0.000 0.930 204 E CB 0.256 30.183 29.700 0.378 0.000 0.936 204 E HN 1.397 nan 8.360 nan 0.000 0.466 205 G N 3.695 112.670 108.800 0.292 0.000 2.175 205 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.244 205 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.244 205 G C -0.251 174.756 174.900 0.180 0.000 0.982 205 G CA 0.294 45.552 45.100 0.263 0.000 0.641 205 G HN 0.723 nan 8.290 nan 0.000 0.527 206 H N -0.713 118.391 119.070 0.056 0.000 2.481 206 H HA 0.672 5.228 4.556 -0.000 0.000 0.339 206 H C 0.640 175.939 175.328 -0.049 0.000 1.131 206 H CA -0.209 55.794 56.048 -0.074 0.000 1.301 206 H CB 1.210 30.813 29.762 -0.266 0.000 1.476 206 H HN 0.277 nan 8.280 nan 0.000 0.529 207 M N 2.043 121.672 119.600 0.048 0.000 2.211 207 M HA 0.296 4.776 4.480 -0.000 0.000 0.356 207 M C 0.473 176.756 176.300 -0.027 0.000 1.216 207 M CA -0.139 55.163 55.300 0.004 0.000 1.134 207 M CB 0.496 33.096 32.600 0.001 0.000 1.564 207 M HN 0.672 nan 8.290 nan 0.000 0.463 208 G N 4.399 113.169 108.800 -0.050 0.000 2.543 208 G HA2 0.679 4.639 3.960 -0.000 0.000 0.290 208 G HA3 0.679 4.639 3.960 -0.000 0.000 0.290 208 G C -0.899 173.971 174.900 -0.050 0.000 1.310 208 G CA -0.779 44.275 45.100 -0.078 0.000 1.025 208 G HN 0.729 nan 8.290 nan 0.000 0.502 209 R N -1.403 119.075 120.500 -0.037 0.000 2.725 209 R HA 0.530 4.870 4.340 -0.000 0.000 0.277 209 R C -2.006 174.314 176.300 0.032 0.000 0.987 209 R CA -0.810 55.289 56.100 -0.002 0.000 0.901 209 R CB 2.277 32.586 30.300 0.015 0.000 1.207 209 R HN 0.345 nan 8.270 nan 0.000 0.463 210 L N 3.053 124.295 121.223 0.032 0.000 2.491 210 L HA 0.385 4.724 4.340 -0.000 0.000 0.267 210 L C -0.942 175.951 176.870 0.038 0.000 0.971 210 L CA -0.204 54.671 54.840 0.058 0.000 0.857 210 L CB 1.397 43.464 42.059 0.013 0.000 1.226 210 L HN 0.681 nan 8.230 nan 0.000 0.408 211 N N 4.080 122.801 118.700 0.036 0.000 2.754 211 N HA -0.192 4.547 4.740 -0.000 0.000 0.248 211 N C 0.964 176.471 175.510 -0.005 0.000 1.093 211 N CA 1.359 54.412 53.050 0.004 0.000 0.699 211 N CB -1.150 37.337 38.487 0.000 0.000 1.016 211 N HN 1.356 nan 8.380 nan 0.000 0.552 212 G N -1.235 107.564 108.800 -0.002 0.000 2.184 212 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.264 212 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.264 212 G C 0.056 174.955 174.900 -0.001 0.000 0.975 212 G CA 1.152 46.250 45.100 -0.004 0.000 0.642 212 G HN 0.548 nan 8.290 nan 0.000 0.536 213 K N 0.232 120.632 120.400 -0.000 0.000 2.328 213 K HA 0.432 4.752 4.320 -0.000 0.000 0.246 213 K C -0.755 175.843 176.600 -0.004 0.000 0.955 213 K CA -1.144 55.141 56.287 -0.004 0.000 0.817 213 K CB 1.125 33.621 32.500 -0.007 0.000 1.208 213 K HN 0.017 nan 8.250 nan 0.000 0.432 214 D N 1.350 121.746 120.400 -0.007 0.000 2.583 214 D HA -0.075 4.564 4.640 -0.000 0.000 0.232 214 D C 0.660 176.950 176.300 -0.017 0.000 1.128 214 D CA 0.632 54.625 54.000 -0.011 0.000 0.859 214 D CB 0.772 41.566 40.800 -0.010 0.000 1.169 214 D HN 0.586 nan 8.370 nan 0.000 0.481 215 S N 1.192 116.876 115.700 -0.026 0.000 3.200 215 S HA 0.352 4.822 4.470 -0.000 0.000 0.173 215 S C 0.603 175.178 174.600 -0.042 0.000 0.768 215 S CA -0.097 58.081 58.200 -0.036 0.000 1.018 215 S CB 0.125 63.296 63.200 -0.048 0.000 0.769 215 S HN 0.515 nan 8.310 nan 0.000 0.736 216 T N -0.730 113.790 114.554 -0.058 0.000 2.927 216 T HA 0.766 5.116 4.350 -0.000 0.000 0.286 216 T C -0.570 174.099 174.700 -0.051 0.000 1.040 216 T CA -0.758 61.309 62.100 -0.055 0.000 1.010 216 T CB 1.355 70.183 68.868 -0.068 0.000 1.177 216 T HN 0.349 nan 8.240 nan 0.000 0.546 217 V N 1.298 121.191 119.914 -0.035 0.000 2.539 217 V HA 0.404 4.524 4.120 -0.000 0.000 0.292 217 V C 0.470 176.551 176.094 -0.021 0.000 1.045 217 V CA -0.548 61.745 62.300 -0.012 0.000 0.945 217 V CB 1.718 33.547 31.823 0.009 0.000 0.993 217 V HN 1.149 nan 8.190 nan 0.000 0.464 218 T N 5.072 119.625 114.554 -0.002 0.000 2.779 218 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 218 T C 0.664 175.399 174.700 0.058 0.000 0.938 218 T CA 0.789 62.870 62.100 -0.032 0.000 1.119 218 T CB 0.287 69.133 68.868 -0.037 0.000 0.891 218 T HN 1.429 nan 8.240 nan 0.000 0.526 219 G N 3.943 112.745 108.800 0.003 0.000 2.601 219 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.261 219 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.261 219 G C -0.280 174.683 174.900 0.104 0.000 1.289 219 G CA -0.282 44.894 45.100 0.126 0.000 0.920 219 G HN 0.795 nan 8.290 nan 0.000 0.571 220 D N 0.263 120.735 120.400 0.120 0.000 2.458 220 D HA 0.260 4.900 4.640 -0.000 0.000 0.243 220 D C 2.066 178.410 176.300 0.073 0.000 1.146 220 D CA 0.425 54.472 54.000 0.079 0.000 0.877 220 D CB 1.263 42.107 40.800 0.074 0.000 1.176 220 D HN 0.635 nan 8.370 nan 0.000 0.461 221 V N 4.489 124.424 119.914 0.035 0.000 2.392 221 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 221 V C 2.128 178.204 176.094 -0.030 0.000 1.059 221 V CA 1.399 63.706 62.300 0.011 0.000 1.051 221 V CB -0.603 31.211 31.823 -0.016 0.000 0.658 221 V HN 0.551 nan 8.190 nan 0.000 0.455 222 K N 0.719 121.098 120.400 -0.035 0.000 2.486 222 K HA 0.347 4.667 4.320 -0.000 0.000 0.194 222 K C 1.064 177.612 176.600 -0.087 0.000 1.033 222 K CA 0.661 56.899 56.287 -0.082 0.000 1.004 222 K CB -0.178 32.295 32.500 -0.045 0.000 0.798 222 K HN 0.540 nan 8.250 nan 0.000 0.495 223 A N 2.223 125.049 122.820 0.010 0.000 2.312 223 A HA -0.122 4.198 4.320 -0.000 0.000 0.286 223 A C -1.589 176.093 177.584 0.163 0.000 1.425 223 A CA 0.111 52.225 52.037 0.128 0.000 0.748 223 A CB -1.097 17.985 19.000 0.137 0.000 1.126 223 A HN 0.178 nan 8.150 nan 0.000 0.368 224 P HA -0.144 nan 4.420 nan 0.000 0.222 224 P C 1.506 178.903 177.300 0.161 0.000 1.147 224 P CA 1.591 64.757 63.100 0.110 0.000 0.790 224 P CB -0.213 31.513 31.700 0.043 0.000 0.780 225 S N -3.204 112.607 115.700 0.186 0.000 2.561 225 S HA -0.048 4.421 4.470 -0.000 0.000 0.225 225 S C 0.167 174.831 174.600 0.105 0.000 0.977 225 S CA -0.365 57.898 58.200 0.105 0.000 0.926 225 S CB -0.820 62.368 63.200 -0.020 0.000 0.769 225 S HN 0.041 nan 8.310 nan 0.000 0.533 226 W N 2.237 123.651 121.300 0.190 0.000 2.573 226 W HA 0.558 5.218 4.660 -0.000 0.000 0.326 226 W C -2.860 173.679 176.519 0.034 0.000 1.049 226 W CA -2.708 54.716 57.345 0.130 0.000 1.220 226 W CB 0.562 30.142 29.460 0.201 0.000 1.373 226 W HN -0.050 nan 8.180 nan 0.000 0.507 227 P HA -0.031 nan 4.420 nan 0.000 0.268 227 P C -0.146 177.154 177.300 0.001 0.000 1.205 227 P CA 0.176 63.194 63.100 -0.136 0.000 0.771 227 P CB 0.785 32.225 31.700 -0.434 0.000 0.858 228 D N 1.726 122.130 120.400 0.006 0.000 2.362 228 D HA 0.141 4.781 4.640 -0.000 0.000 0.242 228 D C -0.268 176.020 176.300 -0.020 0.000 1.132 228 D CA 0.898 54.886 54.000 -0.020 0.000 0.907 228 D CB 0.670 41.467 40.800 -0.004 0.000 1.195 228 D HN 0.349 nan 8.370 nan 0.000 0.429 229 D N 1.165 121.543 120.400 -0.036 0.000 2.337 229 D HA 0.081 4.721 4.640 -0.000 0.000 0.238 229 D C -0.608 175.679 176.300 -0.022 0.000 1.331 229 D CA -0.508 53.482 54.000 -0.016 0.000 0.967 229 D CB 0.483 41.285 40.800 0.003 0.000 1.382 229 D HN 0.142 nan 8.370 nan 0.000 0.549 230 R N 2.078 122.567 120.500 -0.017 0.000 2.698 230 R HA 0.147 4.487 4.340 -0.000 0.000 0.266 230 R C 0.622 176.918 176.300 -0.006 0.000 1.026 230 R CA 0.310 56.401 56.100 -0.015 0.000 1.102 230 R CB 0.285 30.580 30.300 -0.010 0.000 0.978 230 R HN 0.416 nan 8.270 nan 0.000 0.436 231 N N -1.708 116.990 118.700 -0.005 0.000 2.976 231 N HA -0.183 4.556 4.740 -0.000 0.000 0.206 231 N C -0.653 174.862 175.510 0.008 0.000 0.910 231 N CA 1.532 54.584 53.050 0.003 0.000 1.030 231 N CB -0.990 37.502 38.487 0.009 0.000 1.019 231 N HN 0.538 nan 8.380 nan 0.000 0.577 232 S N 0.563 116.265 115.700 0.003 0.000 2.549 232 S HA 0.612 5.081 4.470 -0.000 0.000 0.297 232 S C -1.464 173.135 174.600 -0.001 0.000 1.115 232 S CA -1.147 57.060 58.200 0.011 0.000 1.059 232 S CB 1.778 64.988 63.200 0.017 0.000 1.046 232 S HN -0.011 nan 8.310 nan 0.000 0.506 233 P HA -0.031 nan 4.420 nan 0.000 0.223 233 P C 1.155 178.449 177.300 -0.011 0.000 1.151 233 P CA 1.185 64.287 63.100 0.003 0.000 0.787 233 P CB -0.332 31.380 31.700 0.018 0.000 0.788 234 T N -5.445 109.100 114.554 -0.016 0.000 3.057 234 T HA 0.332 4.682 4.350 -0.000 0.000 0.254 234 T C 1.644 176.247 174.700 -0.161 0.000 1.094 234 T CA 0.780 62.847 62.100 -0.055 0.000 1.088 234 T CB -0.596 68.279 68.868 0.012 0.000 0.934 234 T HN 0.224 nan 8.240 nan 0.000 0.497 235 G N 1.373 110.098 108.800 -0.125 0.000 2.176 235 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.253 235 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.253 235 G C -0.029 174.760 174.900 -0.186 0.000 0.979 235 G CA 0.240 45.248 45.100 -0.153 0.000 0.641 235 G HN 0.668 nan 8.290 nan 0.000 0.530 236 K N -0.101 120.181 120.400 -0.197 0.000 2.444 236 K HA 0.707 5.027 4.320 -0.000 0.000 0.252 236 K C 0.221 176.819 176.600 -0.004 0.000 0.993 236 K CA -0.968 55.213 56.287 -0.178 0.000 0.847 236 K CB 2.124 34.355 32.500 -0.448 0.000 1.340 236 K HN 0.161 nan 8.250 nan 0.000 0.446 237 V N 1.917 121.867 119.914 0.059 0.000 2.901 237 V HA -0.123 3.997 4.120 -0.000 0.000 0.307 237 V C 2.141 178.356 176.094 0.202 0.000 1.084 237 V CA 0.777 63.150 62.300 0.122 0.000 1.184 237 V CB 0.663 32.553 31.823 0.112 0.000 0.941 237 V HN 0.921 nan 8.190 nan 0.000 0.493 238 E N 2.987 123.307 120.200 0.200 0.000 2.147 238 E HA -0.247 4.103 4.350 -0.000 0.000 0.199 238 E C 2.013 178.794 176.600 0.302 0.000 1.005 238 E CA 1.939 58.478 56.400 0.231 0.000 0.810 238 E CB -0.158 29.675 29.700 0.223 0.000 0.736 238 E HN 0.925 nan 8.360 nan 0.000 0.460 239 S N -0.661 115.257 115.700 0.364 0.000 2.469 239 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 239 S C 1.680 176.499 174.600 0.365 0.000 0.998 239 S CA 0.734 59.203 58.200 0.449 0.000 0.957 239 S CB -0.725 62.748 63.200 0.454 0.000 0.764 239 S HN 0.639 nan 8.310 nan 0.000 0.514 240 W N 2.320 123.661 121.300 0.069 0.000 2.465 240 W HA 0.132 4.791 4.660 -0.000 0.000 0.268 240 W C 1.942 178.318 176.519 -0.238 0.000 1.242 240 W CA 0.957 58.123 57.345 -0.298 0.000 1.248 240 W CB -0.283 29.055 29.460 -0.205 0.000 1.118 240 W HN 0.287 nan 8.180 nan 0.000 0.587 241 S N -1.207 114.383 115.700 -0.184 0.000 2.496 241 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 241 S C 0.518 174.614 174.600 -0.840 0.000 0.996 241 S CA 0.568 58.456 58.200 -0.521 0.000 0.927 241 S CB -0.289 62.597 63.200 -0.524 0.000 0.774 241 S HN 0.289 nan 8.310 nan 0.000 0.524 242 H N -0.362 118.556 119.070 -0.254 0.000 2.562 242 H HA 0.322 4.878 4.556 -0.000 0.000 0.249 242 H C 1.401 176.711 175.328 -0.030 0.000 1.195 242 H CA -0.078 55.824 56.048 -0.242 0.000 0.938 242 H CB 0.028 29.526 29.762 -0.440 0.000 1.891 242 H HN 0.351 nan 8.280 nan 0.000 0.595 243 G N 0.067 108.794 108.800 -0.122 0.000 2.650 243 G HA2 0.229 4.189 3.960 -0.000 0.000 0.214 243 G HA3 0.229 4.189 3.960 -0.000 0.000 0.214 243 G C 1.099 176.114 174.900 0.192 0.000 1.136 243 G CA 0.497 45.629 45.100 0.054 0.000 0.789 243 G HN 0.688 nan 8.290 nan 0.000 0.536 244 G N -0.581 108.264 108.800 0.075 0.000 2.488 244 G HA2 0.327 4.287 3.960 -0.000 0.000 0.237 244 G HA3 0.327 4.287 3.960 -0.000 0.000 0.237 244 G C 0.970 175.976 174.900 0.176 0.000 1.209 244 G CA 0.891 46.081 45.100 0.150 0.000 0.929 244 G HN 1.923 nan 8.290 nan 0.000 0.578 245 G N -0.885 108.067 108.800 0.252 0.000 2.225 245 G HA2 0.299 4.258 3.960 -0.000 0.000 0.264 245 G HA3 0.299 4.258 3.960 -0.000 0.000 0.264 245 G C 0.815 175.928 174.900 0.355 0.000 1.060 245 G CA 1.057 46.335 45.100 0.297 0.000 0.833 245 G HN 2.521 nan 8.290 nan 0.000 0.498 246 A N 0.438 123.463 122.820 0.342 0.000 2.477 246 A HA 0.635 4.955 4.320 -0.000 0.000 0.246 246 A C -1.261 176.573 177.584 0.418 0.000 1.078 246 A CA -0.690 51.566 52.037 0.365 0.000 0.770 246 A CB 0.511 19.725 19.000 0.357 0.000 1.011 246 A HN 0.256 nan 8.150 nan 0.000 0.494 247 P HA 0.093 nan 4.420 nan 0.000 0.226 247 P C 0.628 178.070 177.300 0.236 0.000 1.832 247 P CA -0.262 62.997 63.100 0.265 0.000 1.092 247 P CB -0.339 31.538 31.700 0.296 0.000 1.873 248 W N 2.358 123.766 121.300 0.179 0.000 2.800 248 W HA 0.079 4.739 4.660 -0.000 0.000 0.249 248 W C -0.082 176.500 176.519 0.104 0.000 1.294 248 W CA -0.043 57.390 57.345 0.147 0.000 1.402 248 W CB -0.770 28.779 29.460 0.149 0.000 1.126 248 W HN 0.171 nan 8.180 nan 0.000 0.652 249 Q N 1.143 120.849 119.800 -0.156 0.000 3.058 249 Q HA 0.368 4.707 4.340 -0.000 0.000 0.200 249 Q C -0.278 175.684 176.000 -0.063 0.000 1.157 249 Q CA -0.386 55.328 55.803 -0.148 0.000 0.438 249 Q CB 0.705 29.291 28.738 -0.252 0.000 5.373 249 Q HN -0.209 nan 8.270 nan 0.000 0.311 250 S N -0.804 114.884 115.700 -0.020 0.000 2.599 250 S HA 0.680 5.150 4.470 -0.000 0.000 0.287 250 S C -1.169 173.506 174.600 0.125 0.000 1.105 250 S CA -0.759 57.462 58.200 0.036 0.000 0.899 250 S CB 1.774 64.960 63.200 -0.023 0.000 1.100 250 S HN 0.573 nan 8.310 nan 0.000 0.482 251 A N 1.468 124.372 122.820 0.141 0.000 2.346 251 A HA 0.705 5.025 4.320 -0.000 0.000 0.252 251 A C 0.128 177.850 177.584 0.231 0.000 1.089 251 A CA -0.157 51.985 52.037 0.175 0.000 0.797 251 A CB 0.195 19.299 19.000 0.173 0.000 1.047 251 A HN 0.618 nan 8.150 nan 0.000 0.494 252 S N -0.840 115.005 115.700 0.243 0.000 2.568 252 S HA 0.735 5.205 4.470 -0.000 0.000 0.302 252 S C -1.306 173.505 174.600 0.352 0.000 1.082 252 S CA -0.208 58.165 58.200 0.287 0.000 1.009 252 S CB 1.174 64.510 63.200 0.228 0.000 1.069 252 S HN 0.644 nan 8.310 nan 0.000 0.500 253 F N 2.371 122.462 119.950 0.234 0.000 2.557 253 F HA 0.439 4.966 4.527 -0.000 0.000 0.316 253 F C -1.379 174.585 175.800 0.274 0.000 1.141 253 F CA -0.785 57.355 58.000 0.232 0.000 0.922 253 F CB 1.373 40.531 39.000 0.263 0.000 1.194 253 F HN 0.451 nan 8.300 nan 0.000 0.443 254 D N 4.783 124.744 120.400 -0.731 0.000 2.441 254 D HA 0.437 5.077 4.640 -0.000 0.000 0.231 254 D C 0.480 176.297 176.300 -0.805 0.000 1.073 254 D CA 0.020 53.731 54.000 -0.481 0.000 0.850 254 D CB 1.943 42.593 40.800 -0.251 0.000 1.062 254 D HN 0.686 nan 8.370 nan 0.000 0.524 255 A N 3.981 126.578 122.820 -0.372 0.000 1.968 255 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 255 A C 1.842 179.453 177.584 0.044 0.000 1.169 255 A CA 1.057 53.109 52.037 0.025 0.000 0.638 255 A CB -0.273 18.991 19.000 0.440 0.000 0.812 255 A HN 0.670 nan 8.150 nan 0.000 0.446 256 E N -0.713 119.505 120.200 0.029 0.000 2.085 256 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 256 E C 1.943 178.547 176.600 0.007 0.000 0.994 256 E CA 1.787 58.209 56.400 0.037 0.000 0.801 256 E CB -0.085 29.634 29.700 0.032 0.000 0.743 256 E HN 0.785 nan 8.360 nan 0.000 0.453 257 T N -2.962 111.568 114.554 -0.040 0.000 3.054 257 T HA 0.086 4.435 4.350 -0.000 0.000 0.255 257 T C 0.460 175.148 174.700 -0.018 0.000 1.035 257 T CA 0.053 62.144 62.100 -0.015 0.000 0.941 257 T CB -0.044 68.825 68.868 0.002 0.000 1.026 257 T HN 0.231 nan 8.240 nan 0.000 0.533 258 N N 0.661 119.325 118.700 -0.059 0.000 2.783 258 N HA -0.135 4.605 4.740 -0.000 0.000 0.247 258 N C -1.273 174.238 175.510 0.003 0.000 1.089 258 N CA 0.645 53.704 53.050 0.014 0.000 0.690 258 N CB -1.033 37.504 38.487 0.084 0.000 0.991 258 N HN 0.499 nan 8.380 nan 0.000 0.552 259 T N 1.139 115.601 114.554 -0.154 0.000 2.841 259 T HA 0.502 4.851 4.350 -0.000 0.000 0.283 259 T C 0.338 175.036 174.700 -0.004 0.000 1.000 259 T CA -0.440 61.632 62.100 -0.047 0.000 0.977 259 T CB 1.837 70.690 68.868 -0.024 0.000 0.979 259 T HN 0.140 nan 8.240 nan 0.000 0.446 260 I N 3.752 124.408 120.570 0.144 0.000 2.312 260 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 260 I C -0.197 175.951 176.117 0.051 0.000 1.031 260 I CA -0.408 61.041 61.300 0.248 0.000 1.293 260 I CB 0.513 38.684 38.000 0.284 0.000 1.403 260 I HN 0.409 nan 8.210 nan 0.000 0.484 261 I N 8.020 128.633 120.570 0.072 0.000 2.382 261 I HA 0.459 4.629 4.170 -0.000 0.000 0.285 261 I C -0.322 175.816 176.117 0.035 0.000 1.007 261 I CA -0.659 60.627 61.300 -0.023 0.000 1.142 261 I CB 1.360 39.393 38.000 0.055 0.000 1.289 261 I HN 0.290 nan 8.210 nan 0.000 0.453 262 V N 2.254 122.163 119.914 -0.009 0.000 3.130 262 V HA 0.860 4.979 4.120 -0.000 0.000 0.310 262 V C 0.140 176.226 176.094 -0.013 0.000 1.158 262 V CA -0.857 61.470 62.300 0.045 0.000 1.029 262 V CB 1.573 33.478 31.823 0.136 0.000 1.057 262 V HN 0.722 nan 8.190 nan 0.000 0.436 263 G N -0.249 108.566 108.800 0.025 0.000 2.389 263 G HA2 0.746 4.706 3.960 -0.000 0.000 0.317 263 G HA3 0.746 4.706 3.960 -0.000 0.000 0.317 263 G C -0.452 174.478 174.900 0.051 0.000 1.137 263 G CA -0.169 44.934 45.100 0.005 0.000 0.870 263 G HN 1.487 nan 8.290 nan 0.000 0.496 264 A N 0.786 123.630 122.820 0.040 0.000 2.337 264 A HA 0.871 5.191 4.320 -0.000 0.000 0.329 264 A C 0.720 178.422 177.584 0.196 0.000 1.146 264 A CA 0.036 52.163 52.037 0.150 0.000 0.800 264 A CB 1.294 20.297 19.000 0.004 0.000 1.220 264 A HN 1.250 nan 8.150 nan 0.000 0.472 265 G N 1.222 110.192 108.800 0.284 0.000 2.525 265 G HA2 0.336 4.296 3.960 -0.000 0.000 0.276 265 G HA3 0.336 4.296 3.960 -0.000 0.000 0.276 265 G C 0.213 175.289 174.900 0.294 0.000 1.388 265 G CA -0.416 44.891 45.100 0.344 0.000 1.050 265 G HN 0.999 nan 8.290 nan 0.000 0.520 266 N N 0.579 119.449 118.700 0.284 0.000 2.444 266 N HA 0.207 4.947 4.740 -0.000 0.000 0.255 266 N C -2.746 172.888 175.510 0.207 0.000 1.255 266 N CA -1.027 52.136 53.050 0.189 0.000 0.933 266 N CB 1.072 39.608 38.487 0.082 0.000 1.143 266 N HN 0.146 nan 8.380 nan 0.000 0.453 267 P HA 0.215 nan 4.420 nan 0.000 0.277 267 P C 0.041 177.479 177.300 0.230 0.000 1.240 267 P CA -0.247 62.988 63.100 0.226 0.000 0.798 267 P CB 0.722 32.503 31.700 0.135 0.000 0.979 268 G N 1.690 110.668 108.800 0.296 0.000 2.434 268 G HA2 0.565 4.524 3.960 -0.000 0.000 0.330 268 G HA3 0.565 4.524 3.960 -0.000 0.000 0.330 268 G C -2.588 172.397 174.900 0.141 0.000 1.155 268 G CA -1.770 43.486 45.100 0.260 0.000 0.917 268 G HN 0.352 nan 8.290 nan 0.000 0.493 269 P HA -0.006 nan 4.420 nan 0.000 0.271 269 P C 0.249 177.531 177.300 -0.031 0.000 1.244 269 P CA -0.361 62.502 63.100 -0.395 0.000 0.793 269 P CB 0.943 32.063 31.700 -0.967 0.000 0.984 270 W N -0.978 120.169 121.300 -0.255 0.000 2.374 270 W HA -0.048 4.612 4.660 -0.000 0.000 0.288 270 W C 1.198 177.563 176.519 -0.257 0.000 1.218 270 W CA 0.641 57.860 57.345 -0.209 0.000 1.245 270 W CB -2.011 27.352 29.460 -0.161 0.000 1.126 270 W HN 0.326 nan 8.180 nan 0.000 0.545 271 N N 1.041 119.715 118.700 -0.044 0.000 2.412 271 N HA -0.094 4.646 4.740 -0.000 0.000 0.279 271 N C 1.281 176.676 175.510 -0.191 0.000 1.287 271 N CA 0.838 53.817 53.050 -0.118 0.000 0.948 271 N CB 0.806 39.245 38.487 -0.080 0.000 1.255 271 N HN -0.065 nan 8.380 nan 0.000 0.485 272 T N 3.795 118.132 114.554 -0.361 0.000 2.737 272 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 272 T C 1.395 175.743 174.700 -0.588 0.000 1.040 272 T CA 1.201 62.956 62.100 -0.575 0.000 1.142 272 T CB -0.174 68.163 68.868 -0.885 0.000 0.861 272 T HN 0.602 nan 8.240 nan 0.000 0.456 273 W N 0.781 121.988 121.300 -0.155 0.000 2.465 273 W HA 0.210 4.870 4.660 -0.000 0.000 0.268 273 W C 2.520 178.980 176.519 -0.099 0.000 1.242 273 W CA 0.506 57.781 57.345 -0.118 0.000 1.248 273 W CB -0.682 28.722 29.460 -0.092 0.000 1.118 273 W HN 0.377 nan 8.180 nan 0.000 0.587 274 A N -0.057 122.782 122.820 0.032 0.000 2.238 274 A HA 0.030 4.350 4.320 -0.000 0.000 0.208 274 A C 1.720 179.305 177.584 0.001 0.000 1.177 274 A CA 0.461 52.518 52.037 0.034 0.000 0.804 274 A CB -0.292 18.725 19.000 0.029 0.000 0.823 274 A HN 0.173 nan 8.150 nan 0.000 0.482 275 R N -0.497 119.934 120.500 -0.116 0.000 2.629 275 R HA 0.187 4.527 4.340 -0.000 0.000 0.386 275 R C -0.889 175.212 176.300 -0.331 0.000 1.071 275 R CA 0.111 56.097 56.100 -0.191 0.000 1.104 275 R CB 0.798 30.934 30.300 -0.272 0.000 1.370 275 R HN 0.250 nan 8.270 nan 0.000 0.574 276 T N 0.434 114.814 114.554 -0.290 0.000 2.861 276 T HA 0.468 4.818 4.350 -0.000 0.000 0.287 276 T C -0.266 174.254 174.700 -0.299 0.000 1.003 276 T CA -0.652 61.230 62.100 -0.362 0.000 0.977 276 T CB 2.005 70.725 68.868 -0.248 0.000 0.996 276 T HN 0.211 nan 8.240 nan 0.000 0.448 277 A N 2.779 125.323 122.820 -0.461 0.000 2.565 277 A HA 0.296 4.616 4.320 -0.000 0.000 0.237 277 A C 0.352 177.941 177.584 0.008 0.000 1.053 277 A CA -0.042 51.889 52.037 -0.177 0.000 0.755 277 A CB -0.190 18.766 19.000 -0.073 0.000 0.980 277 A HN 0.718 nan 8.150 nan 0.000 0.506 278 K N 1.378 121.795 120.400 0.028 0.000 2.473 278 K HA 0.267 4.587 4.320 -0.000 0.000 0.277 278 K C 1.282 177.923 176.600 0.068 0.000 1.052 278 K CA 1.690 58.009 56.287 0.054 0.000 1.114 278 K CB -0.344 32.173 32.500 0.029 0.000 0.869 278 K HN 1.661 nan 8.250 nan 0.000 0.481 279 G N 1.813 110.663 108.800 0.083 0.000 2.160 279 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.251 279 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.251 279 G C 0.510 175.485 174.900 0.124 0.000 1.008 279 G CA 0.177 45.326 45.100 0.081 0.000 0.724 279 G HN 0.883 nan 8.290 nan 0.000 0.514 280 G N -0.897 108.006 108.800 0.172 0.000 2.828 280 G HA2 0.576 4.536 3.960 -0.000 0.000 0.244 280 G HA3 0.576 4.536 3.960 -0.000 0.000 0.244 280 G C -0.501 174.536 174.900 0.229 0.000 1.365 280 G CA -0.117 45.102 45.100 0.199 0.000 1.041 280 G HN 0.488 nan 8.290 nan 0.000 0.560 281 N N -0.272 118.565 118.700 0.229 0.000 2.407 281 N HA 0.379 5.119 4.740 -0.000 0.000 0.277 281 N C -1.866 173.732 175.510 0.146 0.000 0.995 281 N CA -2.055 51.110 53.050 0.191 0.000 0.903 281 N CB 2.389 40.979 38.487 0.173 0.000 1.218 281 N HN -0.110 nan 8.380 nan 0.000 0.487 282 P HA -0.127 nan 4.420 nan 0.000 0.217 282 P C -0.567 176.613 177.300 -0.199 0.000 1.151 282 P CA 1.418 64.379 63.100 -0.232 0.000 0.849 282 P CB -0.042 31.357 31.700 -0.502 0.000 0.787 283 H N 0.231 119.302 119.070 0.001 0.000 2.964 283 H HA 0.019 4.575 4.556 -0.000 0.000 0.328 283 H C 0.411 175.705 175.328 -0.057 0.000 1.030 283 H CA 0.134 56.175 56.048 -0.012 0.000 1.445 283 H CB -0.663 29.105 29.762 0.010 0.000 1.449 283 H HN -0.026 nan 8.280 nan 0.000 0.581 284 D N 2.093 122.498 120.400 0.008 0.000 2.740 284 D HA -0.232 4.408 4.640 -0.000 0.000 0.231 284 D C -1.257 174.796 176.300 -0.411 0.000 1.194 284 D CA 1.049 54.969 54.000 -0.133 0.000 0.673 284 D CB -0.953 39.778 40.800 -0.116 0.000 0.995 284 D HN 0.517 nan 8.370 nan 0.000 0.411 285 Y N -0.322 119.909 120.300 -0.116 0.000 2.609 285 Y HA 0.215 4.765 4.550 -0.000 0.000 0.350 285 Y C 0.831 176.563 175.900 -0.280 0.000 1.050 285 Y CA -0.996 56.988 58.100 -0.193 0.000 1.290 285 Y CB 1.245 39.581 38.460 -0.207 0.000 1.094 285 Y HN -0.226 nan 8.280 nan 0.000 0.583 286 D N 0.286 120.596 120.400 -0.150 0.000 2.277 286 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 286 D C 0.487 176.608 176.300 -0.298 0.000 0.962 286 D CA 1.044 54.932 54.000 -0.187 0.000 0.865 286 D CB 0.148 40.868 40.800 -0.133 0.000 0.939 286 D HN 0.385 nan 8.370 nan 0.000 0.510 287 S N -0.515 114.850 115.700 -0.559 0.000 3.858 287 S HA -0.185 4.285 4.470 -0.000 0.000 0.356 287 S C 0.322 174.824 174.600 -0.163 0.000 1.013 287 S CA -0.214 57.500 58.200 -0.811 0.000 1.083 287 S CB -1.984 60.812 63.200 -0.674 0.000 0.883 287 S HN 0.324 nan 8.310 nan 0.000 0.475 288 L N 0.918 122.079 121.223 -0.103 0.000 2.525 288 L HA 0.071 4.411 4.340 -0.000 0.000 0.278 288 L C 0.793 177.619 176.870 -0.073 0.000 1.218 288 L CA 0.782 55.399 54.840 -0.372 0.000 0.878 288 L CB -0.051 41.411 42.059 -0.996 0.000 1.127 288 L HN 0.453 nan 8.230 nan 0.000 0.492 289 Y N -0.133 120.089 120.300 -0.130 0.000 2.742 289 Y HA 0.108 4.658 4.550 -0.000 0.000 0.248 289 Y C 0.887 176.683 175.900 -0.172 0.000 1.132 289 Y CA -0.749 57.016 58.100 -0.557 0.000 1.142 289 Y CB 0.573 38.569 38.460 -0.772 0.000 1.222 289 Y HN 0.585 nan 8.280 nan 0.000 0.575 290 T N -2.610 112.037 114.554 0.155 0.000 2.922 290 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 290 T C 0.759 175.605 174.700 0.243 0.000 1.005 290 T CA -0.237 61.997 62.100 0.223 0.000 1.061 290 T CB 1.418 70.416 68.868 0.218 0.000 1.007 290 T HN 0.178 nan 8.240 nan 0.000 0.502 291 S N 0.948 116.769 115.700 0.201 0.000 3.550 291 S HA -0.023 4.447 4.470 -0.000 0.000 0.372 291 S C 0.442 175.088 174.600 0.077 0.000 0.966 291 S CA 0.630 58.933 58.200 0.172 0.000 1.229 291 S CB -1.671 61.623 63.200 0.157 0.000 0.917 291 S HN 1.449 nan 8.310 nan 0.000 0.496 292 G N 0.233 109.030 108.800 -0.005 0.000 2.749 292 G HA2 0.663 4.623 3.960 -0.000 0.000 0.300 292 G HA3 0.663 4.623 3.960 -0.000 0.000 0.300 292 G C -1.410 173.320 174.900 -0.283 0.000 1.352 292 G CA -0.751 44.032 45.100 -0.529 0.000 0.789 292 G HN 0.439 nan 8.290 nan 0.000 0.509 293 Q N -0.299 119.253 119.800 -0.413 0.000 2.322 293 Q HA 0.671 5.010 4.340 -0.000 0.000 0.265 293 Q C -1.166 174.739 176.000 -0.159 0.000 0.985 293 Q CA -0.840 54.866 55.803 -0.162 0.000 0.849 293 Q CB 2.495 31.216 28.738 -0.028 0.000 1.274 293 Q HN 0.254 nan 8.270 nan 0.000 0.449 294 V N 1.800 121.555 119.914 -0.265 0.000 2.435 294 V HA 0.648 4.768 4.120 -0.000 0.000 0.290 294 V C 0.478 176.067 176.094 -0.841 0.000 1.030 294 V CA -0.638 61.397 62.300 -0.441 0.000 0.881 294 V CB 1.555 33.085 31.823 -0.488 0.000 0.983 294 V HN 0.898 nan 8.190 nan 0.000 0.445 295 G N 2.807 110.768 108.800 -1.398 0.000 2.335 295 G HA2 0.569 4.528 3.960 -0.000 0.000 0.314 295 G HA3 0.569 4.528 3.960 -0.000 0.000 0.314 295 G C -0.712 173.800 174.900 -0.647 0.000 1.129 295 G CA -0.364 43.903 45.100 -1.389 0.000 0.912 295 G HN 0.919 nan 8.290 nan 0.000 0.443 296 V N 1.486 121.194 119.914 -0.343 0.000 2.769 296 V HA 0.667 4.787 4.120 -0.000 0.000 0.312 296 V C -0.851 175.148 176.094 -0.159 0.000 1.061 296 V CA -1.177 60.978 62.300 -0.241 0.000 0.931 296 V CB 2.130 33.841 31.823 -0.186 0.000 1.010 296 V HN 0.667 nan 8.190 nan 0.000 0.433 297 D N 6.178 126.447 120.400 -0.219 0.000 2.325 297 D HA 0.465 5.105 4.640 -0.000 0.000 0.251 297 D C -1.621 174.567 176.300 -0.187 0.000 1.196 297 D CA -1.637 52.264 54.000 -0.165 0.000 0.866 297 D CB 1.942 42.630 40.800 -0.187 0.000 1.101 297 D HN 0.460 nan 8.370 nan 0.000 0.476 298 P HA -0.067 nan 4.420 nan 0.000 0.223 298 P C 1.025 178.496 177.300 0.285 0.000 1.151 298 P CA 0.460 63.710 63.100 0.250 0.000 0.787 298 P CB 0.352 32.181 31.700 0.216 0.000 0.788 299 S N -0.112 115.623 115.700 0.058 0.000 2.357 299 S HA -0.050 4.419 4.470 -0.000 0.000 0.221 299 S C 1.818 176.393 174.600 -0.042 0.000 1.031 299 S CA 1.778 60.000 58.200 0.037 0.000 0.982 299 S CB -0.319 62.869 63.200 -0.019 0.000 0.853 299 S HN 0.325 nan 8.310 nan 0.000 0.458 300 S N -1.334 114.191 115.700 -0.292 0.000 2.632 300 S HA 0.468 4.938 4.470 -0.000 0.000 0.237 300 S C 1.279 175.325 174.600 -0.924 0.000 1.037 300 S CA 0.568 58.527 58.200 -0.402 0.000 1.009 300 S CB 0.746 63.785 63.200 -0.270 0.000 0.974 300 S HN 0.721 nan 8.310 nan 0.000 0.544 301 G N 1.283 109.071 108.800 -1.687 0.000 2.162 301 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.260 301 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.260 301 G C -0.236 174.127 174.900 -0.895 0.000 0.976 301 G CA 0.248 44.125 45.100 -2.039 0.000 0.655 301 G HN 0.599 nan 8.290 nan 0.000 0.533 302 E N -0.433 119.411 120.200 -0.593 0.000 2.349 302 E HA 0.461 4.811 4.350 -0.000 0.000 0.265 302 E C 0.362 176.771 176.600 -0.319 0.000 1.064 302 E CA -0.711 55.467 56.400 -0.370 0.000 0.886 302 E CB 1.762 31.303 29.700 -0.265 0.000 1.036 302 E HN 0.066 nan 8.360 nan 0.000 0.413 303 V N 3.806 123.556 119.914 -0.273 0.000 2.470 303 V HA -0.018 4.102 4.120 -0.000 0.000 0.276 303 V C 0.974 176.937 176.094 -0.217 0.000 1.040 303 V CA 0.496 62.629 62.300 -0.278 0.000 1.008 303 V CB 0.790 32.393 31.823 -0.367 0.000 0.990 303 V HN 0.668 nan 8.190 nan 0.000 0.477 304 K N 5.045 125.312 120.400 -0.221 0.000 2.078 304 K HA 0.143 4.463 4.320 -0.000 0.000 0.203 304 K C 0.423 177.044 176.600 0.034 0.000 1.043 304 K CA 0.893 57.121 56.287 -0.098 0.000 0.960 304 K CB 0.357 32.818 32.500 -0.066 0.000 0.761 304 K HN 0.818 nan 8.250 nan 0.000 0.448 305 W N -1.091 120.201 121.300 -0.013 0.000 3.032 305 W HA 0.576 5.236 4.660 -0.000 0.000 0.341 305 W C -1.556 175.027 176.519 0.107 0.000 1.202 305 W CA -1.064 56.302 57.345 0.035 0.000 1.132 305 W CB 0.337 29.809 29.460 0.020 0.000 1.465 305 W HN -0.226 nan 8.180 nan 0.000 0.576 306 F N 2.025 122.198 119.950 0.371 0.000 2.596 306 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 306 F C -2.163 173.812 175.800 0.292 0.000 1.116 306 F CA -1.744 56.400 58.000 0.240 0.000 0.957 306 F CB 1.975 41.071 39.000 0.161 0.000 1.250 306 F HN 0.311 nan 8.300 nan 0.000 0.444 307 Y N 5.302 125.242 120.300 -0.600 0.000 2.338 307 Y HA 0.458 5.008 4.550 -0.000 0.000 0.333 307 Y C -0.782 174.370 175.900 -1.246 0.000 0.968 307 Y CA -0.505 57.215 58.100 -0.632 0.000 1.123 307 Y CB 1.351 39.589 38.460 -0.369 0.000 1.165 307 Y HN 0.692 nan 8.280 nan 0.000 0.452 308 Q N 3.717 122.433 119.800 -1.805 0.000 2.261 308 Q HA 0.210 4.550 4.340 -0.000 0.000 0.252 308 Q C -0.092 175.237 176.000 -1.118 0.000 0.915 308 Q CA -0.035 55.000 55.803 -1.280 0.000 0.915 308 Q CB 0.972 29.364 28.738 -0.576 0.000 1.204 308 Q HN 0.992 nan 8.270 nan 0.000 0.421 309 H N 0.103 118.919 119.070 -0.424 0.000 2.344 309 H HA 0.107 4.663 4.556 -0.000 0.000 0.307 309 H C -0.076 175.245 175.328 -0.012 0.000 1.057 309 H CA 0.633 56.520 56.048 -0.268 0.000 1.373 309 H CB 0.778 30.420 29.762 -0.199 0.000 1.421 309 H HN 0.395 nan 8.280 nan 0.000 0.532 310 T N 2.175 116.818 114.554 0.147 0.000 2.893 310 T HA 0.128 4.478 4.350 -0.000 0.000 0.324 310 T C -2.086 172.668 174.700 0.090 0.000 1.082 310 T CA -1.330 60.880 62.100 0.182 0.000 0.983 310 T CB 1.823 70.814 68.868 0.205 0.000 1.005 310 T HN 0.056 nan 8.240 nan 0.000 0.475 311 P HA -0.108 nan 4.420 nan 0.000 0.215 311 P C 0.318 177.597 177.300 -0.036 0.000 1.157 311 P CA 1.115 64.219 63.100 0.007 0.000 0.874 311 P CB 0.176 31.884 31.700 0.013 0.000 0.790 312 N N -0.491 118.173 118.700 -0.059 0.000 2.776 312 N HA 0.089 4.829 4.740 -0.000 0.000 0.245 312 N C -0.981 174.391 175.510 -0.230 0.000 1.121 312 N CA -0.470 52.454 53.050 -0.211 0.000 0.852 312 N CB -0.018 38.290 38.487 -0.298 0.000 1.142 312 N HN -0.259 nan 8.380 nan 0.000 0.514 313 D N 3.015 123.328 120.400 -0.145 0.000 2.356 313 D HA 0.033 4.673 4.640 -0.000 0.000 0.272 313 D C 0.791 176.886 176.300 -0.342 0.000 1.337 313 D CA 0.028 53.945 54.000 -0.139 0.000 0.970 313 D CB 0.825 41.610 40.800 -0.026 0.000 1.092 313 D HN 0.606 nan 8.370 nan 0.000 0.516 314 A N 4.473 126.889 122.820 -0.673 0.000 2.251 314 A HA 0.046 4.366 4.320 -0.000 0.000 0.209 314 A C 1.015 178.087 177.584 -0.854 0.000 1.187 314 A CA -0.115 51.337 52.037 -0.976 0.000 0.823 314 A CB -0.096 17.804 19.000 -1.835 0.000 0.846 314 A HN 0.707 nan 8.150 nan 0.000 0.486 315 W N -1.070 119.866 121.300 -0.607 0.000 2.714 315 W HA 0.203 4.863 4.660 -0.000 0.000 0.353 315 W C 0.114 175.950 176.519 -1.137 0.000 0.999 315 W CA 0.129 56.865 57.345 -1.015 0.000 1.629 315 W CB 0.072 28.429 29.460 -1.838 0.000 1.106 315 W HN 0.571 nan 8.180 nan 0.000 0.545 316 D N 0.950 120.868 120.400 -0.803 0.000 2.705 316 D HA -0.264 4.376 4.640 -0.000 0.000 0.240 316 D C -0.458 175.620 176.300 -0.370 0.000 1.137 316 D CA 0.530 54.022 54.000 -0.847 0.000 0.677 316 D CB -1.592 38.038 40.800 -1.950 0.000 1.049 316 D HN -0.123 nan 8.370 nan 0.000 0.427 317 F N 1.163 121.008 119.950 -0.175 0.000 2.705 317 F HA 0.267 4.794 4.527 -0.000 0.000 0.355 317 F C 1.365 177.169 175.800 0.007 0.000 1.172 317 F CA -0.640 57.301 58.000 -0.097 0.000 1.332 317 F CB -0.476 38.432 39.000 -0.152 0.000 1.621 317 F HN 0.057 nan 8.300 nan 0.000 0.605 318 S N 0.926 116.753 115.700 0.211 0.000 2.998 318 S HA 0.074 4.544 4.470 -0.000 0.000 0.348 318 S C 1.457 176.204 174.600 0.244 0.000 1.210 318 S CA 0.344 58.705 58.200 0.268 0.000 1.118 318 S CB -0.062 63.408 63.200 0.450 0.000 0.832 318 S HN 0.719 nan 8.310 nan 0.000 0.516 319 G N 3.506 112.445 108.800 0.232 0.000 3.383 319 G HA2 0.088 4.048 3.960 -0.000 0.000 0.251 319 G HA3 0.088 4.048 3.960 -0.000 0.000 0.251 319 G C 0.634 175.674 174.900 0.234 0.000 1.203 319 G CA -0.130 45.128 45.100 0.264 0.000 0.852 319 G HN 0.899 nan 8.290 nan 0.000 0.531 320 N N -0.992 117.777 118.700 0.115 0.000 2.238 320 N HA 0.063 4.803 4.740 -0.000 0.000 0.222 320 N C 0.136 175.633 175.510 -0.022 0.000 1.133 320 N CA -0.680 52.372 53.050 0.003 0.000 0.854 320 N CB 0.234 38.637 38.487 -0.140 0.000 1.041 320 N HN -0.120 nan 8.380 nan 0.000 0.510 321 N N 2.483 121.235 118.700 0.086 0.000 2.273 321 N HA -0.092 4.648 4.740 -0.000 0.000 0.227 321 N C 0.297 175.871 175.510 0.107 0.000 1.292 321 N CA 0.260 53.310 53.050 -0.001 0.000 0.875 321 N CB 0.354 38.729 38.487 -0.186 0.000 1.105 321 N HN 0.467 nan 8.380 nan 0.000 0.434 322 E N 0.716 120.952 120.200 0.061 0.000 2.438 322 E HA -0.063 4.286 4.350 -0.000 0.000 0.261 322 E C -0.787 175.883 176.600 0.117 0.000 1.103 322 E CA 0.286 56.752 56.400 0.111 0.000 0.959 322 E CB 0.294 30.079 29.700 0.141 0.000 0.958 322 E HN 0.361 nan 8.360 nan 0.000 0.447 323 L N 2.690 123.980 121.223 0.111 0.000 2.318 323 L HA 0.265 4.605 4.340 -0.000 0.000 0.277 323 L C 0.015 176.933 176.870 0.081 0.000 1.008 323 L CA -0.974 53.911 54.840 0.076 0.000 0.846 323 L CB 1.599 43.707 42.059 0.081 0.000 1.220 323 L HN 0.473 nan 8.230 nan 0.000 0.423 324 V N 5.164 125.087 119.914 0.016 0.000 2.567 324 V HA 0.503 4.623 4.120 -0.000 0.000 0.289 324 V C -0.126 176.057 176.094 0.148 0.000 1.049 324 V CA -0.458 61.903 62.300 0.100 0.000 0.969 324 V CB 1.454 33.373 31.823 0.161 0.000 0.995 324 V HN 0.567 nan 8.190 nan 0.000 0.471 325 L N 8.005 129.330 121.223 0.170 0.000 2.276 325 L HA 0.631 4.971 4.340 -0.000 0.000 0.286 325 L C -0.156 176.845 176.870 0.219 0.000 1.061 325 L CA -0.215 54.681 54.840 0.092 0.000 0.807 325 L CB 0.718 42.623 42.059 -0.257 0.000 1.177 325 L HN 0.891 nan 8.230 nan 0.000 0.429 326 F N 0.524 120.423 119.950 -0.086 0.000 2.923 326 F HA 0.574 5.100 4.527 -0.000 0.000 0.323 326 F C -1.437 174.346 175.800 -0.027 0.000 1.189 326 F CA -1.441 56.500 58.000 -0.098 0.000 0.930 326 F CB 1.138 39.978 39.000 -0.268 0.000 1.414 326 F HN 0.176 nan 8.300 nan 0.000 0.496 327 D N 1.319 121.615 120.400 -0.172 0.000 2.392 327 D HA 0.145 4.785 4.640 -0.000 0.000 0.228 327 D C -1.622 174.478 176.300 -0.333 0.000 1.074 327 D CA 0.108 53.959 54.000 -0.249 0.000 0.838 327 D CB 1.396 42.155 40.800 -0.069 0.000 1.067 327 D HN 0.628 nan 8.370 nan 0.000 0.511 328 Y N 2.133 122.048 120.300 -0.641 0.000 2.425 328 Y HA 0.185 4.735 4.550 -0.000 0.000 0.347 328 Y C 0.215 176.021 175.900 -0.156 0.000 0.976 328 Y CA -0.775 57.078 58.100 -0.412 0.000 1.190 328 Y CB 0.771 38.913 38.460 -0.530 0.000 1.136 328 Y HN 0.071 nan 8.280 nan 0.000 0.517 329 K N 6.573 126.707 120.400 -0.442 0.000 2.206 329 K HA 0.501 4.821 4.320 -0.000 0.000 0.268 329 K C 0.772 177.024 176.600 -0.581 0.000 1.111 329 K CA 0.406 56.481 56.287 -0.353 0.000 0.955 329 K CB -0.066 32.322 32.500 -0.188 0.000 1.406 329 K HN 0.907 nan 8.250 nan 0.000 0.427 330 A N 3.981 126.477 122.820 -0.540 0.000 2.892 330 A HA -0.279 4.041 4.320 -0.000 0.000 0.300 330 A C 1.508 178.865 177.584 -0.378 0.000 0.747 330 A CA 1.753 53.548 52.037 -0.404 0.000 1.284 330 A CB -0.410 18.542 19.000 -0.079 0.000 0.659 330 A HN 0.716 nan 8.150 nan 0.000 0.469 331 K N -1.560 118.753 120.400 -0.147 0.000 2.509 331 K HA 0.223 4.543 4.320 -0.000 0.000 0.205 331 K C -0.754 175.791 176.600 -0.091 0.000 1.336 331 K CA 0.886 57.117 56.287 -0.093 0.000 0.912 331 K CB 0.343 32.833 32.500 -0.017 0.000 1.568 331 K HN 0.624 nan 8.250 nan 0.000 0.475 332 D N -1.116 119.245 120.400 -0.066 0.000 2.863 332 D HA 0.527 5.167 4.640 -0.000 0.000 0.245 332 D C -0.057 176.210 176.300 -0.055 0.000 1.211 332 D CA 0.773 54.736 54.000 -0.062 0.000 0.888 332 D CB 1.760 42.532 40.800 -0.047 0.000 1.483 332 D HN 0.398 nan 8.370 nan 0.000 0.533 333 G N 2.625 111.388 108.800 -0.061 0.000 2.955 333 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.230 333 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.230 333 G C -0.337 174.525 174.900 -0.064 0.000 1.587 333 G CA -0.589 44.481 45.100 -0.051 0.000 1.216 333 G HN 0.557 nan 8.290 nan 0.000 0.527 334 K N 1.243 121.608 120.400 -0.058 0.000 2.485 334 K HA 0.444 4.764 4.320 -0.000 0.000 0.277 334 K C 0.250 176.804 176.600 -0.075 0.000 0.990 334 K CA 0.509 56.764 56.287 -0.052 0.000 0.994 334 K CB 0.590 33.074 32.500 -0.027 0.000 0.906 334 K HN 1.000 nan 8.250 nan 0.000 0.488 335 I N 2.617 123.152 120.570 -0.059 0.000 2.330 335 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 335 I C -1.115 174.970 176.117 -0.054 0.000 1.025 335 I CA -0.503 60.755 61.300 -0.071 0.000 1.197 335 I CB 1.123 39.084 38.000 -0.066 0.000 1.358 335 I HN 0.162 nan 8.210 nan 0.000 0.467 336 V N 6.599 126.493 119.914 -0.033 0.000 2.439 336 V HA 0.380 4.499 4.120 -0.000 0.000 0.282 336 V C 0.516 176.535 176.094 -0.125 0.000 1.039 336 V CA -0.823 61.452 62.300 -0.042 0.000 0.913 336 V CB 1.089 32.920 31.823 0.013 0.000 0.983 336 V HN 0.610 nan 8.190 nan 0.000 0.460 337 K N 3.550 123.868 120.400 -0.137 0.000 2.316 337 K HA 0.632 4.952 4.320 -0.000 0.000 0.289 337 K C 0.000 176.472 176.600 -0.213 0.000 1.070 337 K CA 0.077 56.264 56.287 -0.167 0.000 0.928 337 K CB 1.204 33.638 32.500 -0.110 0.000 1.039 337 K HN 0.874 nan 8.250 nan 0.000 0.480 338 A N 2.648 125.284 122.820 -0.306 0.000 2.389 338 A HA 0.608 4.928 4.320 -0.000 0.000 0.293 338 A C -0.483 177.050 177.584 -0.085 0.000 1.186 338 A CA -0.549 51.317 52.037 -0.284 0.000 0.828 338 A CB 1.628 20.295 19.000 -0.556 0.000 1.369 338 A HN 0.504 nan 8.150 nan 0.000 0.446 339 T N 0.265 114.814 114.554 -0.007 0.000 2.859 339 T HA 0.647 4.997 4.350 -0.000 0.000 0.281 339 T C -0.341 174.468 174.700 0.180 0.000 1.005 339 T CA 0.290 62.447 62.100 0.096 0.000 1.025 339 T CB 1.189 70.075 68.868 0.030 0.000 0.977 339 T HN 1.271 nan 8.240 nan 0.000 0.458 340 A N 3.046 125.874 122.820 0.012 0.000 2.331 340 A HA 0.723 5.043 4.320 -0.000 0.000 0.320 340 A C -1.107 176.155 177.584 -0.538 0.000 1.138 340 A CA -0.499 51.288 52.037 -0.418 0.000 0.790 340 A CB 0.685 18.988 19.000 -1.162 0.000 1.206 340 A HN 0.983 nan 8.150 nan 0.000 0.470 341 H N 0.931 119.431 119.070 -0.950 0.000 2.954 341 H HA 0.652 5.208 4.556 -0.000 0.000 0.361 341 H C -0.819 173.848 175.328 -1.100 0.000 1.122 341 H CA 0.231 55.788 56.048 -0.819 0.000 1.217 341 H CB 1.766 31.259 29.762 -0.449 0.000 1.776 341 H HN 0.839 nan 8.280 nan 0.000 0.533 342 A N 4.562 126.641 122.820 -1.235 0.000 2.511 342 A HA 0.288 4.608 4.320 -0.000 0.000 0.340 342 A C -0.538 176.535 177.584 -0.852 0.000 1.396 342 A CA -0.663 50.730 52.037 -1.074 0.000 0.887 342 A CB -0.153 18.083 19.000 -1.274 0.000 1.145 342 A HN 0.862 nan 8.150 nan 0.000 0.497 343 D N 0.974 121.037 120.400 -0.562 0.000 2.423 343 D HA 0.109 4.749 4.640 -0.000 0.000 0.238 343 D C 1.458 177.764 176.300 0.010 0.000 1.142 343 D CA 0.018 53.861 54.000 -0.261 0.000 0.884 343 D CB 0.790 41.698 40.800 0.180 0.000 1.199 343 D HN 0.424 nan 8.370 nan 0.000 0.438 344 R N 1.914 122.408 120.500 -0.010 0.000 2.139 344 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 344 R C 1.383 177.536 176.300 -0.246 0.000 1.145 344 R CA 1.249 57.347 56.100 -0.004 0.000 0.976 344 R CB -0.682 29.676 30.300 0.098 0.000 0.866 344 R HN 0.601 nan 8.270 nan 0.000 0.449 345 N N -0.075 118.422 118.700 -0.339 0.000 2.550 345 N HA -0.066 4.673 4.740 -0.000 0.000 0.186 345 N C 0.986 176.281 175.510 -0.358 0.000 1.110 345 N CA 1.283 53.856 53.050 -0.793 0.000 0.912 345 N CB 0.024 38.328 38.487 -0.307 0.000 0.968 345 N HN 0.298 nan 8.380 nan 0.000 0.448 346 G N -1.451 107.185 108.800 -0.273 0.000 2.141 346 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.231 346 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.231 346 G C -0.561 173.930 174.900 -0.681 0.000 0.984 346 G CA -0.036 44.681 45.100 -0.638 0.000 0.660 346 G HN 0.293 nan 8.290 nan 0.000 0.525 347 F N -0.235 119.732 119.950 0.028 0.000 2.482 347 F HA 0.670 5.196 4.527 -0.000 0.000 0.331 347 F C 0.278 176.036 175.800 -0.069 0.000 1.115 347 F CA -1.465 56.474 58.000 -0.102 0.000 0.955 347 F CB 1.359 40.184 39.000 -0.291 0.000 1.136 347 F HN 0.050 nan 8.300 nan 0.000 0.452 348 F N 4.339 124.138 119.950 -0.252 0.000 2.438 348 F HA 0.372 4.899 4.527 -0.000 0.000 0.356 348 F C -0.986 174.350 175.800 -0.774 0.000 1.099 348 F CA -0.461 57.213 58.000 -0.543 0.000 1.185 348 F CB 0.115 38.561 39.000 -0.923 0.000 1.115 348 F HN 0.283 nan 8.300 nan 0.000 0.526 349 Y N 3.792 123.880 120.300 -0.353 0.000 2.487 349 Y HA 0.639 5.189 4.550 -0.000 0.000 0.337 349 Y C -0.628 175.111 175.900 -0.268 0.000 1.076 349 Y CA -1.299 56.657 58.100 -0.240 0.000 1.115 349 Y CB 1.603 39.974 38.460 -0.148 0.000 1.235 349 Y HN 0.202 nan 8.280 nan 0.000 0.468 350 V N 3.511 123.410 119.914 -0.026 0.000 2.447 350 V HA 0.549 4.669 4.120 -0.000 0.000 0.292 350 V C -0.842 175.111 176.094 -0.235 0.000 1.021 350 V CA -0.706 61.535 62.300 -0.098 0.000 0.850 350 V CB 1.246 32.952 31.823 -0.195 0.000 1.005 350 V HN 0.573 nan 8.190 nan 0.000 0.426 351 V N 2.550 122.317 119.914 -0.245 0.000 2.823 351 V HA 0.477 4.596 4.120 -0.000 0.000 0.312 351 V C -0.459 175.429 176.094 -0.343 0.000 1.072 351 V CA -0.749 61.344 62.300 -0.345 0.000 0.937 351 V CB 2.506 34.090 31.823 -0.400 0.000 1.013 351 V HN 0.841 nan 8.190 nan 0.000 0.430 352 D N 3.116 123.284 120.400 -0.386 0.000 2.344 352 D HA 0.070 4.710 4.640 -0.000 0.000 0.253 352 D C 1.372 177.380 176.300 -0.487 0.000 1.255 352 D CA -0.288 53.497 54.000 -0.359 0.000 0.894 352 D CB 0.823 41.441 40.800 -0.304 0.000 1.067 352 D HN 0.664 nan 8.370 nan 0.000 0.492 353 R N 2.074 122.374 120.500 -0.333 0.000 2.357 353 R HA -0.086 4.254 4.340 -0.000 0.000 0.202 353 R C 1.026 177.225 176.300 -0.169 0.000 1.047 353 R CA 0.944 56.913 56.100 -0.218 0.000 1.034 353 R CB -0.174 30.110 30.300 -0.027 0.000 0.875 353 R HN 0.299 nan 8.270 nan 0.000 0.473 354 S N 0.968 116.527 115.700 -0.234 0.000 2.441 354 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 354 S C 1.020 175.467 174.600 -0.254 0.000 1.043 354 S CA 0.440 58.561 58.200 -0.131 0.000 0.948 354 S CB -0.061 63.077 63.200 -0.104 0.000 0.810 354 S HN 0.669 nan 8.310 nan 0.000 0.504 355 N N -0.353 118.039 118.700 -0.514 0.000 2.118 355 N HA 0.359 5.099 4.740 -0.000 0.000 0.226 355 N C 0.898 175.926 175.510 -0.804 0.000 1.305 355 N CA 0.209 52.958 53.050 -0.501 0.000 0.890 355 N CB 0.257 38.602 38.487 -0.236 0.000 1.118 355 N HN 0.500 nan 8.380 nan 0.000 0.511 356 G N 0.108 108.048 108.800 -1.433 0.000 2.147 356 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.244 356 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.244 356 G C -0.274 174.329 174.900 -0.495 0.000 1.005 356 G CA 0.388 44.786 45.100 -1.171 0.000 0.713 356 G HN 0.526 nan 8.290 nan 0.000 0.515 357 K N -0.438 119.706 120.400 -0.427 0.000 2.130 357 K HA 0.684 5.004 4.320 -0.000 0.000 0.268 357 K C 0.344 176.760 176.600 -0.307 0.000 0.983 357 K CA -1.013 55.120 56.287 -0.256 0.000 0.893 357 K CB 0.919 33.309 32.500 -0.184 0.000 1.066 357 K HN 0.215 nan 8.250 nan 0.000 0.450 358 L N 4.220 125.276 121.223 -0.277 0.000 2.418 358 L HA 0.073 4.413 4.340 -0.000 0.000 0.274 358 L C 0.481 177.235 176.870 -0.194 0.000 1.135 358 L CA 0.766 55.410 54.840 -0.328 0.000 0.870 358 L CB 0.791 42.665 42.059 -0.308 0.000 1.154 358 L HN 0.713 nan 8.230 nan 0.000 0.462 359 Q N 2.964 122.638 119.800 -0.209 0.000 2.259 359 Q HA 0.218 4.558 4.340 -0.000 0.000 0.201 359 Q C 0.066 176.018 176.000 -0.080 0.000 0.938 359 Q CA 0.480 56.193 55.803 -0.151 0.000 0.872 359 Q CB 0.096 28.673 28.738 -0.268 0.000 0.971 359 Q HN 0.762 nan 8.270 nan 0.000 0.494 360 N N -1.153 117.491 118.700 -0.092 0.000 3.171 360 N HA 0.468 5.208 4.740 -0.000 0.000 0.239 360 N C -2.196 173.310 175.510 -0.006 0.000 1.275 360 N CA 0.052 53.118 53.050 0.028 0.000 0.920 360 N CB 1.448 40.018 38.487 0.138 0.000 1.554 360 N HN 0.008 nan 8.380 nan 0.000 0.504 361 A N 1.333 124.163 122.820 0.017 0.000 2.488 361 A HA 0.761 5.080 4.320 -0.000 0.000 0.295 361 A C -1.754 175.848 177.584 0.030 0.000 1.045 361 A CA -0.598 51.323 52.037 -0.194 0.000 0.703 361 A CB 0.370 19.180 19.000 -0.317 0.000 1.271 361 A HN 0.729 nan 8.150 nan 0.000 0.400 362 F N 0.427 120.416 119.950 0.064 0.000 2.668 362 F HA 0.861 5.387 4.527 -0.000 0.000 0.309 362 F C -3.090 172.819 175.800 0.181 0.000 1.117 362 F CA -2.719 55.360 58.000 0.131 0.000 0.951 362 F CB 1.549 40.576 39.000 0.046 0.000 1.323 362 F HN 0.274 nan 8.300 nan 0.000 0.451 363 P HA 0.156 nan 4.420 nan 0.000 0.282 363 P C -0.139 177.186 177.300 0.042 0.000 1.262 363 P CA -0.154 62.850 63.100 -0.160 0.000 0.773 363 P CB 0.636 32.153 31.700 -0.305 0.000 0.879 364 F N 2.704 122.623 119.950 -0.052 0.000 2.765 364 F HA 0.257 4.784 4.527 -0.000 0.000 0.302 364 F C 0.129 175.914 175.800 -0.027 0.000 1.111 364 F CA -0.640 57.361 58.000 0.003 0.000 1.359 364 F CB -0.463 38.550 39.000 0.023 0.000 1.097 364 F HN 0.015 nan 8.300 nan 0.000 0.577 365 V N -2.359 117.224 119.914 -0.552 0.000 2.864 365 V HA 0.489 4.609 4.120 -0.000 0.000 0.314 365 V C 0.011 176.094 176.094 -0.019 0.000 1.073 365 V CA -0.736 61.414 62.300 -0.250 0.000 0.956 365 V CB 1.785 33.372 31.823 -0.394 0.000 1.023 365 V HN -0.080 nan 8.190 nan 0.000 0.435 366 D N 1.302 121.872 120.400 0.284 0.000 2.333 366 D HA 0.066 4.705 4.640 -0.000 0.000 0.208 366 D C 0.412 176.684 176.300 -0.046 0.000 0.984 366 D CA 1.155 55.176 54.000 0.036 0.000 0.873 366 D CB 0.109 40.866 40.800 -0.071 0.000 0.935 366 D HN 0.806 nan 8.370 nan 0.000 0.521 367 N N 0.008 118.677 118.700 -0.051 0.000 2.644 367 N HA 0.244 4.984 4.740 -0.000 0.000 0.313 367 N C -0.596 174.872 175.510 -0.070 0.000 1.863 367 N CA -0.205 52.799 53.050 -0.077 0.000 0.918 367 N CB 1.078 39.506 38.487 -0.098 0.000 1.320 367 N HN -0.007 nan 8.380 nan 0.000 0.490 368 I N 0.720 121.218 120.570 -0.119 0.000 2.598 368 I HA -0.011 4.159 4.170 -0.000 0.000 0.284 368 I C 1.461 177.524 176.117 -0.089 0.000 1.140 368 I CA 0.346 61.564 61.300 -0.137 0.000 1.420 368 I CB 0.715 38.521 38.000 -0.324 0.000 1.387 368 I HN 0.380 nan 8.210 nan 0.000 0.553 369 T N 2.350 116.909 114.554 0.009 0.000 2.971 369 T HA -0.015 4.335 4.350 -0.000 0.000 0.252 369 T C 1.291 176.011 174.700 0.034 0.000 1.022 369 T CA -0.372 61.746 62.100 0.031 0.000 0.980 369 T CB -0.013 68.916 68.868 0.103 0.000 1.044 369 T HN 0.830 nan 8.240 nan 0.000 0.501 370 W N 2.664 123.925 121.300 -0.065 0.000 2.576 370 W HA 0.656 5.316 4.660 -0.000 0.000 0.270 370 W C 0.044 176.555 176.519 -0.013 0.000 1.255 370 W CA 0.009 57.282 57.345 -0.119 0.000 1.314 370 W CB -0.291 28.833 29.460 -0.559 0.000 1.101 370 W HN 0.397 nan 8.180 nan 0.000 0.595 371 A N 0.674 122.873 122.820 -1.036 0.000 2.515 371 A HA 0.435 4.755 4.320 -0.000 0.000 0.298 371 A C 0.598 177.958 177.584 -0.375 0.000 1.059 371 A CA 0.175 51.718 52.037 -0.824 0.000 0.698 371 A CB 1.378 19.490 19.000 -1.480 0.000 1.289 371 A HN 0.043 nan 8.150 nan 0.000 0.404 372 S N 0.529 116.096 115.700 -0.222 0.000 2.377 372 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 372 S C 0.712 175.390 174.600 0.129 0.000 1.030 372 S CA 1.870 60.064 58.200 -0.011 0.000 0.970 372 S CB -0.352 62.894 63.200 0.076 0.000 0.830 372 S HN 1.400 nan 8.310 nan 0.000 0.473 373 H N -2.140 116.850 119.070 -0.133 0.000 2.863 373 H HA 0.573 5.129 4.556 -0.000 0.000 0.274 373 H C -1.478 173.627 175.328 -0.373 0.000 1.457 373 H CA -1.205 54.751 56.048 -0.154 0.000 1.151 373 H CB 0.187 29.916 29.762 -0.056 0.000 1.844 373 H HN 0.050 nan 8.280 nan 0.000 0.562 374 I N 1.726 122.110 120.570 -0.310 0.000 2.339 374 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 374 I C -0.058 176.032 176.117 -0.045 0.000 0.994 374 I CA -0.410 60.704 61.300 -0.310 0.000 1.191 374 I CB 1.069 38.898 38.000 -0.284 0.000 1.343 374 I HN 0.732 nan 8.210 nan 0.000 0.458 375 D N 5.978 126.327 120.400 -0.085 0.000 2.346 375 D HA 0.013 4.653 4.640 -0.000 0.000 0.260 375 D C 0.905 177.234 176.300 0.049 0.000 1.252 375 D CA -0.421 53.601 54.000 0.037 0.000 0.895 375 D CB 1.326 42.113 40.800 -0.022 0.000 1.097 375 D HN 0.238 nan 8.370 nan 0.000 0.489 376 L N 4.822 126.085 121.223 0.067 0.000 2.201 376 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 376 L C 2.416 179.308 176.870 0.037 0.000 1.105 376 L CA 1.519 56.387 54.840 0.047 0.000 0.775 376 L CB -0.720 41.364 42.059 0.041 0.000 0.913 376 L HN 0.572 nan 8.230 nan 0.000 0.440 377 K N -2.723 117.698 120.400 0.035 0.000 2.211 377 K HA 0.022 4.342 4.320 -0.000 0.000 0.201 377 K C 1.812 178.429 176.600 0.028 0.000 1.052 377 K CA 1.115 57.417 56.287 0.025 0.000 0.973 377 K CB -0.554 31.958 32.500 0.020 0.000 0.766 377 K HN -0.046 nan 8.250 nan 0.000 0.466 378 T N -0.240 114.332 114.554 0.030 0.000 2.978 378 T HA 0.096 4.446 4.350 -0.000 0.000 0.262 378 T C 1.339 176.070 174.700 0.053 0.000 1.063 378 T CA 1.204 63.320 62.100 0.027 0.000 1.140 378 T CB -0.217 68.657 68.868 0.010 0.000 0.886 378 T HN 0.659 nan 8.240 nan 0.000 0.470 379 G N 1.511 110.361 108.800 0.084 0.000 2.205 379 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.261 379 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.261 379 G C 0.261 175.242 174.900 0.134 0.000 0.980 379 G CA -0.000 45.207 45.100 0.179 0.000 0.632 379 G HN 0.474 nan 8.290 nan 0.000 0.533 380 R N 0.987 121.515 120.500 0.046 0.000 2.486 380 R HA 0.512 4.852 4.340 -0.000 0.000 0.286 380 R C -2.427 173.850 176.300 -0.039 0.000 0.999 380 R CA -1.923 54.186 56.100 0.015 0.000 0.993 380 R CB 0.970 31.272 30.300 0.003 0.000 1.084 380 R HN 0.084 nan 8.270 nan 0.000 0.487 381 P HA -0.036 nan 4.420 nan 0.000 0.268 381 P C -0.837 176.360 177.300 -0.171 0.000 1.208 381 P CA -0.081 62.931 63.100 -0.146 0.000 0.777 381 P CB 0.555 32.295 31.700 0.067 0.000 0.875 382 V N 3.134 122.847 119.914 -0.336 0.000 2.275 382 V HA 0.147 4.267 4.120 -0.000 0.000 0.272 382 V C 0.464 176.433 176.094 -0.209 0.000 1.028 382 V CA -0.229 61.898 62.300 -0.289 0.000 0.810 382 V CB 0.034 31.592 31.823 -0.442 0.000 1.043 382 V HN 0.514 nan 8.190 nan 0.000 0.453 383 E N 3.883 124.051 120.200 -0.052 0.000 2.373 383 E HA 0.393 4.742 4.350 -0.000 0.000 0.263 383 E C -0.029 176.613 176.600 0.070 0.000 1.073 383 E CA -0.530 55.912 56.400 0.070 0.000 0.894 383 E CB 1.219 31.132 29.700 0.356 0.000 1.008 383 E HN 0.487 nan 8.360 nan 0.000 0.420 384 R N 1.909 122.473 120.500 0.106 0.000 2.500 384 R HA 0.092 4.431 4.340 -0.000 0.000 0.277 384 R C 1.053 177.467 176.300 0.189 0.000 1.026 384 R CA -0.641 55.529 56.100 0.116 0.000 1.058 384 R CB 0.912 31.266 30.300 0.090 0.000 1.078 384 R HN 0.615 nan 8.270 nan 0.000 0.509 385 E N 1.642 121.936 120.200 0.158 0.000 1.987 385 E HA -0.162 4.188 4.350 -0.000 0.000 0.214 385 E C 0.908 177.627 176.600 0.198 0.000 1.012 385 E CA 1.828 58.325 56.400 0.161 0.000 0.881 385 E CB -0.280 29.491 29.700 0.118 0.000 0.806 385 E HN 0.834 nan 8.360 nan 0.000 0.516 386 G N 0.879 109.802 108.800 0.205 0.000 4.294 386 G HA2 0.055 4.014 3.960 -0.000 0.000 0.301 386 G HA3 0.055 4.014 3.960 -0.000 0.000 0.301 386 G C 0.633 175.721 174.900 0.313 0.000 1.321 386 G CA -0.331 44.913 45.100 0.240 0.000 1.190 386 G HN 0.100 nan 8.290 nan 0.000 0.600 387 Q N 0.048 120.081 119.800 0.387 0.000 2.472 387 Q HA 0.084 4.424 4.340 -0.000 0.000 0.208 387 Q C 0.826 177.272 176.000 0.744 0.000 0.958 387 Q CA 0.347 56.472 55.803 0.536 0.000 0.932 387 Q CB 0.422 29.478 28.738 0.530 0.000 1.007 387 Q HN 0.427 nan 8.270 nan 0.000 0.508 388 R N 1.988 122.786 120.500 0.495 0.000 2.196 388 R HA 0.232 4.572 4.340 -0.000 0.000 0.340 388 R C -2.255 174.220 176.300 0.291 0.000 1.043 388 R CA -1.633 54.576 56.100 0.182 0.000 0.883 388 R CB 0.547 30.800 30.300 -0.079 0.000 1.078 388 R HN -0.041 nan 8.270 nan 0.000 0.462 389 P HA 0.056 nan 4.420 nan 0.000 0.268 389 P C -2.425 175.089 177.300 0.358 0.000 1.205 389 P CA -1.229 62.039 63.100 0.280 0.000 0.771 389 P CB 0.242 32.041 31.700 0.166 0.000 0.858 390 P HA 0.137 nan 4.420 nan 0.000 0.275 390 P C -0.226 177.007 177.300 -0.112 0.000 1.228 390 P CA -0.229 62.854 63.100 -0.027 0.000 0.786 390 P CB 0.810 32.505 31.700 -0.008 0.000 0.927 391 L N 3.775 124.781 121.223 -0.362 0.000 2.499 391 L HA 0.069 4.408 4.340 -0.000 0.000 0.281 391 L C -1.674 175.113 176.870 -0.139 0.000 1.234 391 L CA -1.386 53.300 54.840 -0.257 0.000 0.839 391 L CB -1.065 40.757 42.059 -0.395 0.000 1.104 391 L HN 0.304 nan 8.230 nan 0.000 0.500 392 P HA 0.024 nan 4.420 nan 0.000 0.263 392 P C -1.050 176.189 177.300 -0.103 0.000 1.195 392 P CA -0.140 62.910 63.100 -0.083 0.000 0.762 392 P CB 0.319 31.980 31.700 -0.065 0.000 0.799 393 E N 5.607 125.746 120.200 -0.101 0.000 2.392 393 E HA 0.116 4.466 4.350 -0.000 0.000 0.264 393 E C -2.060 174.489 176.600 -0.086 0.000 1.024 393 E CA -1.515 54.831 56.400 -0.090 0.000 0.903 393 E CB -1.043 28.611 29.700 -0.077 0.000 0.963 393 E HN 0.376 nan 8.360 nan 0.000 0.432 394 P HA -0.132 nan 4.420 nan 0.000 0.255 394 P C 0.735 177.999 177.300 -0.060 0.000 1.151 394 P CA 1.734 64.796 63.100 -0.062 0.000 0.767 394 P CB 0.161 31.830 31.700 -0.052 0.000 0.736 395 G N 1.623 110.389 108.800 -0.057 0.000 2.254 395 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.225 395 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.225 395 G C 0.049 174.906 174.900 -0.072 0.000 1.003 395 G CA -0.467 44.599 45.100 -0.056 0.000 0.622 395 G HN 0.514 nan 8.290 nan 0.000 0.507 396 Q N 0.293 120.035 119.800 -0.096 0.000 2.260 396 Q HA 0.543 4.883 4.340 -0.000 0.000 0.238 396 Q C 0.996 176.930 176.000 -0.109 0.000 0.948 396 Q CA 0.352 56.071 55.803 -0.140 0.000 0.895 396 Q CB 1.159 29.774 28.738 -0.204 0.000 1.218 396 Q HN 0.735 nan 8.270 nan 0.000 0.470 397 K N 0.177 120.508 120.400 -0.114 0.000 2.455 397 K HA 0.159 4.478 4.320 -0.000 0.000 0.206 397 K C -0.107 176.539 176.600 0.076 0.000 1.027 397 K CA -0.223 56.054 56.287 -0.016 0.000 1.113 397 K CB 0.334 32.843 32.500 0.017 0.000 0.850 397 K HN 0.739 nan 8.250 nan 0.000 0.503 398 H N -2.402 116.678 119.070 0.017 0.000 3.114 398 H HA 0.298 4.853 4.556 -0.000 0.000 0.325 398 H C -1.272 174.079 175.328 0.038 0.000 1.206 398 H CA -0.903 55.191 56.048 0.076 0.000 1.316 398 H CB 0.796 30.617 29.762 0.098 0.000 1.981 398 H HN 0.115 nan 8.280 nan 0.000 0.527 399 G N 1.784 110.725 108.800 0.236 0.000 2.562 399 G HA2 0.277 4.237 3.960 -0.000 0.000 0.275 399 G HA3 0.277 4.237 3.960 -0.000 0.000 0.275 399 G C -0.283 174.758 174.900 0.237 0.000 1.196 399 G CA -0.942 44.245 45.100 0.144 0.000 0.908 399 G HN 0.598 nan 8.290 nan 0.000 0.524 400 K N -0.051 120.427 120.400 0.131 0.000 2.414 400 K HA 0.342 4.661 4.320 -0.000 0.000 0.272 400 K C 0.335 177.053 176.600 0.196 0.000 0.993 400 K CA 0.011 56.375 56.287 0.127 0.000 0.964 400 K CB 0.985 33.531 32.500 0.077 0.000 0.925 400 K HN 0.476 nan 8.250 nan 0.000 0.487 401 A N 1.872 124.794 122.820 0.170 0.000 2.327 401 A HA 0.445 4.765 4.320 -0.000 0.000 0.283 401 A C -0.062 177.680 177.584 0.262 0.000 1.127 401 A CA -0.724 51.487 52.037 0.289 0.000 0.810 401 A CB 0.566 19.720 19.000 0.256 0.000 1.066 401 A HN 0.531 nan 8.150 nan 0.000 0.492 402 V N -0.097 120.015 119.914 0.329 0.000 2.769 402 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 402 V C -0.339 175.948 176.094 0.323 0.000 1.061 402 V CA -0.838 61.643 62.300 0.301 0.000 0.931 402 V CB 1.647 33.666 31.823 0.327 0.000 1.010 402 V HN 0.880 nan 8.190 nan 0.000 0.433 403 E N 1.872 122.226 120.200 0.256 0.000 2.167 403 E HA 0.610 4.960 4.350 -0.000 0.000 0.284 403 E C -1.200 175.538 176.600 0.231 0.000 1.016 403 E CA -0.398 56.139 56.400 0.228 0.000 0.817 403 E CB 1.952 31.751 29.700 0.165 0.000 1.080 403 E HN 0.687 nan 8.360 nan 0.000 0.397 404 V N 2.317 122.365 119.914 0.224 0.000 2.769 404 V HA 0.523 4.643 4.120 -0.000 0.000 0.312 404 V C -0.251 175.920 176.094 0.128 0.000 1.061 404 V CA -0.624 61.791 62.300 0.192 0.000 0.931 404 V CB 2.011 33.946 31.823 0.186 0.000 1.010 404 V HN 0.564 nan 8.190 nan 0.000 0.433 405 S N 3.965 119.744 115.700 0.131 0.000 2.533 405 S HA 0.710 5.179 4.470 -0.000 0.000 0.271 405 S C -2.970 171.711 174.600 0.136 0.000 1.143 405 S CA -1.123 57.140 58.200 0.106 0.000 0.891 405 S CB 2.555 65.797 63.200 0.069 0.000 1.105 405 S HN 0.499 nan 8.310 nan 0.000 0.468 406 P HA 0.353 nan 4.420 nan 0.000 0.274 406 P C -2.617 174.745 177.300 0.103 0.000 1.260 406 P CA -1.114 62.011 63.100 0.042 0.000 0.793 406 P CB -0.247 31.421 31.700 -0.053 0.000 1.048 407 P HA 0.106 nan 4.420 nan 0.000 0.284 407 P C 0.708 177.903 177.300 -0.176 0.000 1.292 407 P CA -0.397 62.592 63.100 -0.186 0.000 0.800 407 P CB 0.533 31.965 31.700 -0.448 0.000 1.188 408 F N -0.554 119.185 119.950 -0.351 0.000 2.154 408 F HA -0.144 4.382 4.527 -0.000 0.000 0.301 408 F C 1.939 177.609 175.800 -0.217 0.000 1.087 408 F CA 1.197 58.953 58.000 -0.406 0.000 1.274 408 F CB -2.074 36.451 39.000 -0.793 0.000 1.009 408 F HN -0.057 nan 8.300 nan 0.000 0.485 409 L N 0.628 121.323 121.223 -0.879 0.000 2.261 409 L HA 0.108 4.448 4.340 -0.000 0.000 0.216 409 L C 1.451 178.362 176.870 0.068 0.000 1.114 409 L CA 0.919 55.543 54.840 -0.361 0.000 0.777 409 L CB -1.461 40.272 42.059 -0.544 0.000 0.910 409 L HN 0.670 nan 8.230 nan 0.000 0.440 410 G N -1.817 107.015 108.800 0.054 0.000 2.525 410 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.685 410 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.685 410 G C 0.348 175.380 174.900 0.219 0.000 1.290 410 G CA -0.529 44.648 45.100 0.129 0.000 0.915 410 G HN 0.099 nan 8.290 nan 0.000 0.548 411 G N -0.768 108.068 108.800 0.061 0.000 2.539 411 G HA2 0.383 4.343 3.960 -0.000 0.000 0.215 411 G HA3 0.383 4.343 3.960 -0.000 0.000 0.215 411 G C 0.676 175.714 174.900 0.229 0.000 1.141 411 G CA 1.474 46.585 45.100 0.019 0.000 0.806 411 G HN 0.702 nan 8.290 nan 0.000 0.533 412 K N 0.343 120.881 120.400 0.230 0.000 2.565 412 K HA 0.216 4.535 4.320 -0.000 0.000 0.249 412 K C -0.652 175.921 176.600 -0.046 0.000 0.958 412 K CA -0.691 55.637 56.287 0.068 0.000 0.806 412 K CB 1.389 33.870 32.500 -0.032 0.000 1.194 412 K HN 0.043 nan 8.250 nan 0.000 0.434 413 N N 2.393 120.962 118.700 -0.218 0.000 2.483 413 N HA 0.176 4.915 4.740 -0.000 0.000 0.278 413 N C 1.290 176.661 175.510 -0.232 0.000 1.355 413 N CA -0.029 52.886 53.050 -0.225 0.000 0.896 413 N CB 0.072 38.184 38.487 -0.624 0.000 1.100 413 N HN 0.726 nan 8.380 nan 0.000 0.460 414 W N 1.978 123.190 121.300 -0.146 0.000 2.453 414 W HA 0.025 4.685 4.660 -0.000 0.000 0.289 414 W C 0.279 176.753 176.519 -0.075 0.000 1.215 414 W CA -0.116 57.190 57.345 -0.066 0.000 1.297 414 W CB -1.297 28.239 29.460 0.126 0.000 1.113 414 W HN 0.301 nan 8.180 nan 0.000 0.551 415 N N 4.374 122.059 118.700 -1.692 0.000 2.355 415 N HA -0.044 4.695 4.740 -0.000 0.000 0.282 415 N C -2.260 172.887 175.510 -0.604 0.000 1.374 415 N CA -0.324 51.824 53.050 -1.503 0.000 0.929 415 N CB -0.233 37.346 38.487 -1.514 0.000 1.278 415 N HN 0.131 nan 8.380 nan 0.000 0.491 416 P HA 0.106 nan 4.420 nan 0.000 0.276 416 P C 0.296 177.550 177.300 -0.076 0.000 1.244 416 P CA -0.406 62.619 63.100 -0.125 0.000 0.801 416 P CB 0.977 32.675 31.700 -0.004 0.000 1.006 417 M N 0.833 120.407 119.600 -0.042 0.000 2.369 417 M HA 0.782 5.262 4.480 -0.000 0.000 0.291 417 M C -0.403 175.999 176.300 0.170 0.000 1.178 417 M CA -0.597 54.735 55.300 0.053 0.000 0.996 417 M CB 1.042 33.663 32.600 0.035 0.000 1.472 417 M HN 0.290 nan 8.290 nan 0.000 0.496 418 A N 0.330 123.316 122.820 0.277 0.000 2.469 418 A HA 0.753 5.073 4.320 -0.000 0.000 0.299 418 A C -2.145 175.681 177.584 0.404 0.000 1.098 418 A CA -0.561 51.682 52.037 0.344 0.000 0.737 418 A CB 1.442 20.630 19.000 0.314 0.000 1.312 418 A HN 0.855 nan 8.150 nan 0.000 0.414 419 Y N 0.753 121.140 120.300 0.144 0.000 2.409 419 Y HA 0.641 5.191 4.550 -0.000 0.000 0.343 419 Y C 0.020 175.907 175.900 -0.022 0.000 0.973 419 Y CA -0.646 57.331 58.100 -0.204 0.000 1.064 419 Y CB 2.139 40.354 38.460 -0.410 0.000 1.207 419 Y HN 0.644 nan 8.280 nan 0.000 0.452 420 S N 4.731 119.990 115.700 -0.734 0.000 2.438 420 S HA 0.229 4.699 4.470 -0.000 0.000 0.316 420 S C 0.458 174.239 174.600 -1.365 0.000 1.084 420 S CA -0.459 57.348 58.200 -0.655 0.000 1.107 420 S CB 1.150 64.304 63.200 -0.077 0.000 0.981 420 S HN 0.992 nan 8.310 nan 0.000 0.466 421 Q N 2.644 121.419 119.800 -1.708 0.000 2.224 421 Q HA -0.084 4.255 4.340 -0.000 0.000 0.203 421 Q C 0.655 176.248 176.000 -0.678 0.000 0.970 421 Q CA 1.379 56.468 55.803 -1.190 0.000 0.865 421 Q CB 0.170 28.142 28.738 -1.276 0.000 0.922 421 Q HN 0.703 nan 8.270 nan 0.000 0.445 422 D N -0.775 119.325 120.400 -0.499 0.000 2.107 422 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 422 D C 2.056 178.269 176.300 -0.145 0.000 0.978 422 D CA 2.039 55.958 54.000 -0.136 0.000 0.852 422 D CB -0.491 40.359 40.800 0.083 0.000 1.008 422 D HN 0.312 nan 8.370 nan 0.000 0.458 423 T N -2.698 111.774 114.554 -0.137 0.000 2.985 423 T HA 0.183 4.533 4.350 -0.000 0.000 0.266 423 T C 1.747 176.332 174.700 -0.192 0.000 1.076 423 T CA 1.384 63.424 62.100 -0.100 0.000 1.135 423 T CB 0.085 68.957 68.868 0.008 0.000 0.890 423 T HN 0.283 nan 8.240 nan 0.000 0.480 424 G N 0.997 109.573 108.800 -0.372 0.000 2.176 424 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.253 424 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.253 424 G C -0.080 174.657 174.900 -0.272 0.000 0.979 424 G CA 0.218 45.156 45.100 -0.270 0.000 0.641 424 G HN 0.647 nan 8.290 nan 0.000 0.530 425 L N -0.128 120.820 121.223 -0.459 0.000 2.344 425 L HA 0.728 5.068 4.340 -0.000 0.000 0.272 425 L C 0.276 176.687 176.870 -0.765 0.000 1.035 425 L CA -1.227 53.292 54.840 -0.535 0.000 0.807 425 L CB 0.936 42.636 42.059 -0.597 0.000 1.237 425 L HN -0.033 nan 8.230 nan 0.000 0.442 426 F N 0.818 120.537 119.950 -0.386 0.000 2.410 426 F HA 0.294 4.820 4.527 -0.000 0.000 0.348 426 F C -0.291 175.135 175.800 -0.623 0.000 1.106 426 F CA -0.142 57.680 58.000 -0.297 0.000 1.163 426 F CB 0.493 39.440 39.000 -0.089 0.000 1.129 426 F HN 0.150 nan 8.300 nan 0.000 0.516 427 Y N 2.797 123.121 120.300 0.040 0.000 2.491 427 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 427 Y C -0.411 175.458 175.900 -0.051 0.000 0.969 427 Y CA -1.045 56.997 58.100 -0.098 0.000 1.241 427 Y CB 0.764 39.181 38.460 -0.073 0.000 1.105 427 Y HN 0.175 nan 8.280 nan 0.000 0.503 428 V N 5.390 125.288 119.914 -0.027 0.000 2.394 428 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 428 V C -2.145 173.913 176.094 -0.060 0.000 1.031 428 V CA -2.209 60.044 62.300 -0.079 0.000 0.881 428 V CB 1.611 33.321 31.823 -0.189 0.000 0.982 428 V HN 0.506 nan 8.190 nan 0.000 0.451 429 P HA 0.406 nan 4.420 nan 0.000 0.232 429 P C -0.298 176.969 177.300 -0.055 0.000 1.814 429 P CA 0.065 63.135 63.100 -0.051 0.000 1.085 429 P CB 0.881 32.544 31.700 -0.063 0.000 1.901 430 A N 3.687 126.498 122.820 -0.015 0.000 2.252 430 A HA 0.648 4.968 4.320 -0.000 0.000 0.305 430 A C 0.071 177.580 177.584 -0.125 0.000 1.097 430 A CA -0.511 51.530 52.037 0.007 0.000 0.849 430 A CB 0.546 19.618 19.000 0.120 0.000 1.142 430 A HN 0.390 nan 8.150 nan 0.000 0.499 431 N N 0.077 118.637 118.700 -0.233 0.000 2.264 431 N HA 0.318 5.058 4.740 -0.000 0.000 0.288 431 N C -1.809 173.386 175.510 -0.526 0.000 1.094 431 N CA -0.475 52.288 53.050 -0.477 0.000 0.817 431 N CB 1.477 39.501 38.487 -0.771 0.000 1.604 431 N HN 0.618 nan 8.380 nan 0.000 0.473 432 H N 1.394 120.334 119.070 -0.218 0.000 2.504 432 H HA 0.455 5.011 4.556 -0.000 0.000 0.322 432 H C -0.412 174.891 175.328 -0.042 0.000 1.055 432 H CA -0.121 55.887 56.048 -0.066 0.000 1.231 432 H CB 0.829 30.615 29.762 0.041 0.000 1.417 432 H HN 0.595 nan 8.280 nan 0.000 0.472 433 W N 1.708 123.037 121.300 0.049 0.000 2.743 433 W HA 0.484 5.144 4.660 -0.000 0.000 0.434 433 W C -1.363 175.147 176.519 -0.015 0.000 1.048 433 W CA -1.199 56.147 57.345 0.001 0.000 1.170 433 W CB 0.255 29.721 29.460 0.010 0.000 1.466 433 W HN 0.583 nan 8.180 nan 0.000 0.596 434 K N -0.253 120.262 120.400 0.193 0.000 2.770 434 K HA 0.667 4.987 4.320 -0.000 0.000 0.289 434 K C -1.170 175.453 176.600 0.038 0.000 1.051 434 K CA -0.972 55.358 56.287 0.072 0.000 0.814 434 K CB 2.655 35.201 32.500 0.078 0.000 1.512 434 K HN 0.740 nan 8.250 nan 0.000 0.368 435 E N 0.317 120.564 120.200 0.079 0.000 2.445 435 E HA 0.315 4.665 4.350 -0.000 0.000 0.279 435 E C -1.559 175.181 176.600 0.234 0.000 1.018 435 E CA -0.956 55.530 56.400 0.144 0.000 0.816 435 E CB 1.941 31.709 29.700 0.113 0.000 1.356 435 E HN 0.511 nan 8.360 nan 0.000 0.462 436 D N 0.537 121.131 120.400 0.325 0.000 2.198 436 D HA 0.299 4.939 4.640 -0.000 0.000 0.245 436 D C -1.436 175.208 176.300 0.574 0.000 1.079 436 D CA -0.020 54.243 54.000 0.439 0.000 0.854 436 D CB 1.121 42.194 40.800 0.455 0.000 1.148 436 D HN 0.270 nan 8.370 nan 0.000 0.456 437 Y N 2.724 123.268 120.300 0.408 0.000 2.442 437 Y HA 0.494 5.044 4.550 -0.000 0.000 0.344 437 Y C -1.357 174.793 175.900 0.417 0.000 0.976 437 Y CA -1.130 57.133 58.100 0.273 0.000 1.040 437 Y CB 1.135 39.747 38.460 0.253 0.000 1.228 437 Y HN 0.516 nan 8.280 nan 0.000 0.451 438 W N 2.245 123.550 121.300 0.009 0.000 3.074 438 W HA 0.695 5.354 4.660 -0.000 0.000 0.332 438 W C -1.652 174.779 176.519 -0.148 0.000 1.253 438 W CA -1.150 56.163 57.345 -0.053 0.000 1.180 438 W CB 0.530 30.016 29.460 0.043 0.000 1.445 438 W HN 0.497 nan 8.180 nan 0.000 0.573 439 T N 2.290 116.907 114.554 0.103 0.000 2.907 439 T HA 0.330 4.680 4.350 -0.000 0.000 0.298 439 T C -0.488 174.317 174.700 0.174 0.000 1.017 439 T CA 0.204 62.337 62.100 0.054 0.000 1.118 439 T CB 0.767 69.686 68.868 0.085 0.000 0.948 439 T HN 0.496 nan 8.240 nan 0.000 0.531 440 E N 0.782 121.018 120.200 0.060 0.000 2.440 440 E HA 0.327 4.677 4.350 -0.000 0.000 0.263 440 E C -0.556 176.061 176.600 0.030 0.000 0.938 440 E CA -0.941 55.507 56.400 0.081 0.000 0.831 440 E CB 1.259 30.981 29.700 0.036 0.000 1.456 440 E HN 0.532 nan 8.360 nan 0.000 0.427 441 E N 0.690 120.903 120.200 0.022 0.000 2.366 441 E HA 0.215 4.564 4.350 -0.000 0.000 0.266 441 E C -1.060 175.537 176.600 -0.004 0.000 1.051 441 E CA -0.118 56.288 56.400 0.010 0.000 0.884 441 E CB 1.834 31.542 29.700 0.013 0.000 1.006 441 E HN 0.033 nan 8.360 nan 0.000 0.417 442 V N 2.172 122.091 119.914 0.008 0.000 2.495 442 V HA 0.441 4.561 4.120 -0.000 0.000 0.298 442 V C -0.871 175.276 176.094 0.089 0.000 1.031 442 V CA -0.170 62.138 62.300 0.013 0.000 0.871 442 V CB 1.722 33.520 31.823 -0.041 0.000 0.988 442 V HN 0.787 nan 8.190 nan 0.000 0.432 443 S N 5.715 121.502 115.700 0.145 0.000 2.543 443 S HA 0.535 5.005 4.470 -0.000 0.000 0.271 443 S C -1.361 173.389 174.600 0.250 0.000 1.148 443 S CA -0.631 57.672 58.200 0.172 0.000 0.914 443 S CB 1.433 64.677 63.200 0.073 0.000 1.096 443 S HN 0.917 nan 8.310 nan 0.000 0.471 444 Y N 2.255 122.592 120.300 0.062 0.000 2.299 444 Y HA 0.636 5.186 4.550 -0.000 0.000 0.326 444 Y C -0.394 175.404 175.900 -0.169 0.000 1.164 444 Y CA 0.169 58.133 58.100 -0.226 0.000 1.234 444 Y CB 1.571 39.690 38.460 -0.569 0.000 1.219 444 Y HN 0.849 nan 8.280 nan 0.000 0.497 445 T N 6.674 120.551 114.554 -1.128 0.000 3.335 445 T HA 0.160 4.509 4.350 -0.000 0.000 0.321 445 T C -1.219 172.936 174.700 -0.908 0.000 0.960 445 T CA -1.060 60.579 62.100 -0.768 0.000 1.034 445 T CB 0.583 69.248 68.868 -0.337 0.000 1.040 445 T HN 0.641 nan 8.240 nan 0.000 0.454 446 K N 2.136 122.056 120.400 -0.800 0.000 2.504 446 K HA 0.306 4.626 4.320 -0.000 0.000 0.278 446 K C 1.349 177.829 176.600 -0.201 0.000 1.025 446 K CA 1.637 57.698 56.287 -0.376 0.000 1.093 446 K CB -0.547 31.895 32.500 -0.097 0.000 0.873 446 K HN 0.908 nan 8.250 nan 0.000 0.483 447 G N 2.363 111.103 108.800 -0.100 0.000 2.159 447 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.256 447 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.256 447 G C -0.189 174.749 174.900 0.063 0.000 0.977 447 G CA 0.411 45.484 45.100 -0.045 0.000 0.652 447 G HN 1.295 nan 8.290 nan 0.000 0.531 448 S N -0.775 114.957 115.700 0.054 0.000 2.536 448 S HA 0.876 5.346 4.470 -0.000 0.000 0.287 448 S C 0.289 174.932 174.600 0.071 0.000 1.101 448 S CA 0.418 58.682 58.200 0.107 0.000 0.950 448 S CB 2.172 65.356 63.200 -0.027 0.000 1.056 448 S HN 1.967 nan 8.310 nan 0.000 0.481 449 A N 1.763 124.543 122.820 -0.067 0.000 2.587 449 A HA 0.283 4.603 4.320 -0.000 0.000 0.233 449 A C -0.498 177.010 177.584 -0.127 0.000 1.049 449 A CA 0.290 52.111 52.037 -0.360 0.000 0.754 449 A CB -0.501 18.234 19.000 -0.443 0.000 0.977 449 A HN 1.331 nan 8.150 nan 0.000 0.509 450 Y N 3.302 123.418 120.300 -0.307 0.000 2.511 450 Y HA 0.434 4.983 4.550 -0.000 0.000 0.356 450 Y C 0.282 176.015 175.900 -0.279 0.000 1.002 450 Y CA -0.747 57.242 58.100 -0.185 0.000 1.127 450 Y CB -0.028 38.413 38.460 -0.031 0.000 1.137 450 Y HN 0.532 nan 8.280 nan 0.000 0.652 451 L N 1.271 122.219 121.223 -0.458 0.000 2.187 451 L HA 0.296 4.635 4.340 -0.000 0.000 0.197 451 L C 1.814 178.443 176.870 -0.401 0.000 1.090 451 L CA 0.727 55.173 54.840 -0.656 0.000 0.781 451 L CB -0.501 41.088 42.059 -0.784 0.000 0.956 451 L HN 0.613 nan 8.230 nan 0.000 0.463 452 G N 0.714 109.345 108.800 -0.281 0.000 2.160 452 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.251 452 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.251 452 G C 0.050 174.853 174.900 -0.162 0.000 1.008 452 G CA 0.487 45.480 45.100 -0.178 0.000 0.724 452 G HN 0.190 nan 8.290 nan 0.000 0.514 453 M N -0.830 118.649 119.600 -0.202 0.000 2.520 453 M HA 0.612 5.092 4.480 -0.000 0.000 0.283 453 M C 0.346 176.439 176.300 -0.345 0.000 1.237 453 M CA -0.305 54.841 55.300 -0.256 0.000 0.885 453 M CB 1.534 33.978 32.600 -0.260 0.000 1.727 453 M HN 0.456 nan 8.290 nan 0.000 0.468 454 G N 1.391 109.698 108.800 -0.822 0.000 2.434 454 G HA2 0.893 4.853 3.960 -0.000 0.000 0.330 454 G HA3 0.893 4.853 3.960 -0.000 0.000 0.330 454 G C -1.481 172.523 174.900 -1.492 0.000 1.155 454 G CA -0.412 43.863 45.100 -1.375 0.000 0.917 454 G HN 0.688 nan 8.290 nan 0.000 0.493 455 F N -1.285 118.067 119.950 -0.996 0.000 2.703 455 F HA 0.790 5.316 4.527 -0.000 0.000 0.308 455 F C -0.961 174.876 175.800 0.062 0.000 1.126 455 F CA -1.628 56.218 58.000 -0.256 0.000 0.959 455 F CB 1.960 41.093 39.000 0.222 0.000 1.297 455 F HN 0.569 nan 8.300 nan 0.000 0.441 456 R N 3.134 123.910 120.500 0.460 0.000 2.605 456 R HA 0.482 4.822 4.340 -0.000 0.000 0.291 456 R C -2.038 174.449 176.300 0.310 0.000 1.226 456 R CA -0.591 55.742 56.100 0.388 0.000 0.981 456 R CB 1.278 31.791 30.300 0.355 0.000 1.215 456 R HN 0.705 nan 8.270 nan 0.000 0.428 457 I N 3.812 124.530 120.570 0.247 0.000 2.529 457 I HA 0.266 4.436 4.170 -0.000 0.000 0.284 457 I C 0.277 176.461 176.117 0.111 0.000 1.082 457 I CA 0.178 61.519 61.300 0.067 0.000 1.406 457 I CB 0.838 38.738 38.000 -0.167 0.000 1.405 457 I HN 0.406 nan 8.210 nan 0.000 0.548 458 K N 4.940 125.408 120.400 0.113 0.000 2.502 458 K HA 0.507 4.827 4.320 -0.000 0.000 0.257 458 K C -0.568 176.134 176.600 0.171 0.000 0.938 458 K CA -1.036 55.337 56.287 0.143 0.000 0.819 458 K CB 2.524 35.102 32.500 0.129 0.000 1.333 458 K HN 0.577 nan 8.250 nan 0.000 0.434 459 R N 2.315 122.911 120.500 0.160 0.000 2.774 459 R HA 0.126 4.466 4.340 -0.000 0.000 0.269 459 R C 0.732 177.073 176.300 0.068 0.000 1.068 459 R CA -0.088 56.103 56.100 0.151 0.000 1.180 459 R CB 0.406 30.781 30.300 0.125 0.000 1.077 459 R HN 0.750 nan 8.270 nan 0.000 0.513 460 M N 0.153 119.742 119.600 -0.019 0.000 2.556 460 M HA 0.156 4.636 4.480 -0.000 0.000 0.264 460 M C -0.628 175.472 176.300 -0.333 0.000 1.163 460 M CA 0.657 55.809 55.300 -0.247 0.000 1.186 460 M CB 0.634 32.957 32.600 -0.462 0.000 1.321 460 M HN 0.591 nan 8.290 nan 0.000 0.485 461 Y N 0.780 121.042 120.300 -0.063 0.000 2.509 461 Y HA 0.294 4.843 4.550 -0.000 0.000 0.341 461 Y C 0.651 176.534 175.900 -0.028 0.000 1.038 461 Y CA -1.263 56.791 58.100 -0.076 0.000 1.089 461 Y CB 0.984 39.319 38.460 -0.208 0.000 1.241 461 Y HN 0.119 nan 8.280 nan 0.000 0.468 462 D N -0.008 120.514 120.400 0.202 0.000 2.289 462 D HA -0.113 4.527 4.640 -0.000 0.000 0.207 462 D C 0.643 177.024 176.300 0.135 0.000 0.966 462 D CA 1.159 55.241 54.000 0.137 0.000 0.868 462 D CB 0.203 41.066 40.800 0.103 0.000 0.943 462 D HN 0.718 nan 8.370 nan 0.000 0.514 463 D N -0.147 120.351 120.400 0.164 0.000 2.349 463 D HA -0.047 4.593 4.640 -0.000 0.000 0.214 463 D C 0.355 176.800 176.300 0.241 0.000 1.063 463 D CA 0.092 54.185 54.000 0.155 0.000 0.847 463 D CB -0.055 40.816 40.800 0.119 0.000 0.933 463 D HN 0.422 nan 8.370 nan 0.000 0.513 464 H N -4.369 114.776 119.070 0.124 0.000 3.005 464 H HA 0.419 4.975 4.556 -0.000 0.000 0.311 464 H C -1.015 174.401 175.328 0.147 0.000 1.366 464 H CA -0.952 55.166 56.048 0.116 0.000 1.210 464 H CB 0.793 30.577 29.762 0.038 0.000 1.894 464 H HN -0.268 nan 8.280 nan 0.000 0.520 465 V N 1.046 120.995 119.914 0.058 0.000 3.001 465 V HA 0.394 4.514 4.120 -0.000 0.000 0.228 465 V C 1.472 177.505 176.094 -0.103 0.000 1.204 465 V CA 0.629 62.865 62.300 -0.107 0.000 1.247 465 V CB 0.288 32.016 31.823 -0.157 0.000 1.093 465 V HN 1.007 nan 8.190 nan 0.000 0.504 466 G N 0.151 108.929 108.800 -0.037 0.000 2.442 466 G HA2 0.399 4.359 3.960 -0.000 0.000 0.249 466 G HA3 0.399 4.359 3.960 -0.000 0.000 0.249 466 G C -0.263 174.679 174.900 0.070 0.000 1.263 466 G CA 0.373 45.457 45.100 -0.028 0.000 0.846 466 G HN 0.273 nan 8.290 nan 0.000 0.555 467 S N 1.166 116.869 115.700 0.005 0.000 2.620 467 S HA 0.269 4.739 4.470 -0.000 0.000 0.244 467 S C -0.812 173.790 174.600 0.004 0.000 1.192 467 S CA -0.663 57.547 58.200 0.017 0.000 1.148 467 S CB 0.530 63.718 63.200 -0.019 0.000 1.106 467 S HN 0.658 nan 8.310 nan 0.000 0.474 468 L N 6.098 127.342 121.223 0.036 0.000 2.295 468 L HA 0.590 4.930 4.340 -0.000 0.000 0.288 468 L C -0.130 176.725 176.870 -0.025 0.000 1.079 468 L CA 0.445 55.295 54.840 0.018 0.000 0.830 468 L CB 0.079 42.149 42.059 0.019 0.000 1.200 468 L HN 0.596 nan 8.230 nan 0.000 0.438 469 R N 4.011 124.430 120.500 -0.135 0.000 2.562 469 R HA 0.757 5.097 4.340 -0.000 0.000 0.298 469 R C -0.735 175.245 176.300 -0.533 0.000 0.961 469 R CA -0.669 55.264 56.100 -0.279 0.000 0.881 469 R CB 1.830 32.064 30.300 -0.111 0.000 1.159 469 R HN 0.755 nan 8.270 nan 0.000 0.450 470 A N 4.877 127.141 122.820 -0.927 0.000 2.279 470 A HA 0.387 4.707 4.320 -0.000 0.000 0.306 470 A C -0.337 176.875 177.584 -0.620 0.000 1.300 470 A CA -0.449 50.965 52.037 -1.038 0.000 0.925 470 A CB 0.308 18.384 19.000 -1.540 0.000 1.152 470 A HN 0.472 nan 8.150 nan 0.000 0.544 471 M N 2.416 121.723 119.600 -0.488 0.000 2.157 471 M HA 0.247 4.727 4.480 -0.000 0.000 0.354 471 M C -0.442 175.662 176.300 -0.327 0.000 1.170 471 M CA -0.878 54.208 55.300 -0.357 0.000 1.060 471 M CB 1.026 33.406 32.600 -0.366 0.000 1.615 471 M HN 0.670 nan 8.290 nan 0.000 0.460 472 D N 6.013 126.230 120.400 -0.305 0.000 2.347 472 D HA 0.264 4.903 4.640 -0.000 0.000 0.235 472 D C -1.639 174.514 176.300 -0.245 0.000 1.149 472 D CA -1.759 52.103 54.000 -0.230 0.000 0.850 472 D CB 1.636 42.312 40.800 -0.207 0.000 1.061 472 D HN 0.287 nan 8.370 nan 0.000 0.487 473 P HA -0.079 nan 4.420 nan 0.000 0.229 473 P C 1.173 178.676 177.300 0.338 0.000 1.160 473 P CA 0.282 63.522 63.100 0.232 0.000 0.777 473 P CB 0.687 32.709 31.700 0.536 0.000 0.814 474 V N 0.642 120.650 119.914 0.157 0.000 2.685 474 V HA -0.048 4.071 4.120 -0.000 0.000 0.244 474 V C 2.598 178.670 176.094 -0.037 0.000 1.054 474 V CA 2.117 64.469 62.300 0.086 0.000 1.076 474 V CB -0.730 31.055 31.823 -0.064 0.000 0.725 474 V HN 0.301 nan 8.190 nan 0.000 0.467 475 S N -0.663 114.941 115.700 -0.160 0.000 2.512 475 S HA 0.318 4.788 4.470 -0.000 0.000 0.216 475 S C 1.630 175.980 174.600 -0.418 0.000 1.006 475 S CA 0.806 58.880 58.200 -0.211 0.000 0.915 475 S CB 0.946 64.048 63.200 -0.163 0.000 0.824 475 S HN 1.097 nan 8.310 nan 0.000 0.497 476 G N 1.356 109.654 108.800 -0.836 0.000 2.159 476 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.256 476 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.256 476 G C -0.059 174.414 174.900 -0.712 0.000 0.977 476 G CA 0.485 44.720 45.100 -1.442 0.000 0.652 476 G HN 0.901 nan 8.290 nan 0.000 0.531 477 K N 0.401 120.545 120.400 -0.427 0.000 2.118 477 K HA 0.648 4.968 4.320 -0.000 0.000 0.267 477 K C 0.524 177.000 176.600 -0.206 0.000 0.991 477 K CA -0.270 55.870 56.287 -0.244 0.000 0.916 477 K CB 1.773 34.168 32.500 -0.175 0.000 1.041 477 K HN 0.894 nan 8.250 nan 0.000 0.455 478 V N 5.599 125.435 119.914 -0.130 0.000 2.389 478 V HA 0.184 4.304 4.120 -0.000 0.000 0.264 478 V C 0.197 176.229 176.094 -0.103 0.000 1.049 478 V CA -0.210 62.020 62.300 -0.118 0.000 0.932 478 V CB 0.870 32.657 31.823 -0.061 0.000 1.011 478 V HN 0.766 nan 8.190 nan 0.000 0.475 479 V N 7.157 126.981 119.914 -0.151 0.000 2.788 479 V HA 0.183 4.303 4.120 -0.000 0.000 0.251 479 V C 0.689 176.836 176.094 0.088 0.000 1.068 479 V CA 1.381 63.643 62.300 -0.063 0.000 1.090 479 V CB -0.590 31.167 31.823 -0.111 0.000 0.710 479 V HN 0.980 nan 8.190 nan 0.000 0.467 480 W N -1.008 120.277 121.300 -0.025 0.000 3.275 480 W HA 0.704 5.364 4.660 -0.000 0.000 0.306 480 W C -1.458 175.056 176.519 -0.007 0.000 1.259 480 W CA -0.794 56.546 57.345 -0.007 0.000 1.194 480 W CB 1.423 30.893 29.460 0.018 0.000 1.375 480 W HN -0.086 nan 8.180 nan 0.000 0.564 481 E N 1.665 122.115 120.200 0.417 0.000 2.272 481 E HA 0.310 4.660 4.350 -0.000 0.000 0.269 481 E C -1.754 175.056 176.600 0.350 0.000 0.877 481 E CA -0.777 55.803 56.400 0.300 0.000 0.755 481 E CB 2.660 32.415 29.700 0.092 0.000 1.192 481 E HN 0.539 nan 8.360 nan 0.000 0.422 482 H N 3.032 122.224 119.070 0.204 0.000 2.529 482 H HA 0.328 4.884 4.556 -0.000 0.000 0.348 482 H C -1.051 174.283 175.328 0.010 0.000 1.079 482 H CA -0.835 55.254 56.048 0.068 0.000 1.198 482 H CB 0.888 30.618 29.762 -0.054 0.000 1.521 482 H HN 0.190 nan 8.280 nan 0.000 0.514 483 K N 4.313 124.226 120.400 -0.812 0.000 2.182 483 K HA 0.429 4.749 4.320 -0.000 0.000 0.262 483 K C -1.057 175.298 176.600 -0.407 0.000 0.957 483 K CA -0.665 55.320 56.287 -0.503 0.000 0.842 483 K CB 1.618 33.813 32.500 -0.507 0.000 1.099 483 K HN 0.652 nan 8.250 nan 0.000 0.438 484 E N 1.697 121.858 120.200 -0.064 0.000 2.288 484 E HA 0.130 4.480 4.350 -0.000 0.000 0.268 484 E C 0.356 177.057 176.600 0.168 0.000 0.885 484 E CA -0.597 55.852 56.400 0.082 0.000 0.767 484 E CB 1.543 31.344 29.700 0.167 0.000 1.220 484 E HN 0.861 nan 8.360 nan 0.000 0.427 485 H N 2.288 121.404 119.070 0.077 0.000 2.353 485 H HA 0.060 4.615 4.556 -0.000 0.000 0.300 485 H C 0.209 175.572 175.328 0.060 0.000 1.090 485 H CA 0.846 56.939 56.048 0.074 0.000 1.327 485 H CB 0.524 30.324 29.762 0.063 0.000 1.383 485 H HN 0.215 nan 8.280 nan 0.000 0.508 486 L N 0.898 122.091 121.223 -0.049 0.000 2.331 486 L HA 0.351 4.690 4.340 -0.000 0.000 0.268 486 L C -2.053 174.783 176.870 -0.056 0.000 1.015 486 L CA -2.287 52.466 54.840 -0.144 0.000 0.807 486 L CB 1.343 43.316 42.059 -0.142 0.000 1.293 486 L HN 0.110 nan 8.230 nan 0.000 0.451 487 P HA -0.026 nan 4.420 nan 0.000 0.267 487 P C -0.853 176.500 177.300 0.088 0.000 1.195 487 P CA -0.133 62.902 63.100 -0.107 0.000 0.773 487 P CB 0.373 32.029 31.700 -0.074 0.000 0.837 488 L N 3.448 124.743 121.223 0.120 0.000 2.282 488 L HA 0.375 4.715 4.340 -0.000 0.000 0.288 488 L C -0.115 176.953 176.870 0.330 0.000 1.033 488 L CA 0.331 55.285 54.840 0.191 0.000 0.807 488 L CB 0.109 42.221 42.059 0.087 0.000 1.209 488 L HN 0.555 nan 8.230 nan 0.000 0.423 489 W N 5.044 126.382 121.300 0.063 0.000 1.166 489 W HA 0.484 5.143 4.660 -0.000 0.000 0.203 489 W C -0.695 175.846 176.519 0.037 0.000 0.772 489 W CA -0.141 57.240 57.345 0.060 0.000 1.253 489 W CB 1.011 30.589 29.460 0.197 0.000 0.848 489 W HN 0.587 nan 8.180 nan 0.000 0.403 490 A N 0.090 122.961 122.820 0.085 0.000 2.386 490 A HA 0.801 5.120 4.320 -0.000 0.000 0.308 490 A C 0.207 177.743 177.584 -0.080 0.000 1.128 490 A CA -0.137 51.931 52.037 0.052 0.000 0.789 490 A CB 0.610 19.739 19.000 0.216 0.000 1.325 490 A HN 0.089 nan 8.150 nan 0.000 0.437 491 G N -0.950 107.840 108.800 -0.016 0.000 2.599 491 G HA2 0.507 4.467 3.960 -0.000 0.000 0.264 491 G HA3 0.507 4.467 3.960 -0.000 0.000 0.264 491 G C -0.605 174.365 174.900 0.117 0.000 1.200 491 G CA -0.189 44.913 45.100 0.004 0.000 0.896 491 G HN 0.968 nan 8.290 nan 0.000 0.536 492 V N 0.732 120.718 119.914 0.119 0.000 2.555 492 V HA 0.526 4.646 4.120 -0.000 0.000 0.302 492 V C -0.453 175.760 176.094 0.199 0.000 1.038 492 V CA -0.795 61.612 62.300 0.178 0.000 0.887 492 V CB 1.385 33.303 31.823 0.159 0.000 0.991 492 V HN 0.656 nan 8.190 nan 0.000 0.434 493 L N 4.042 125.412 121.223 0.244 0.000 2.341 493 L HA 0.970 5.310 4.340 -0.000 0.000 0.278 493 L C -0.124 176.890 176.870 0.239 0.000 1.005 493 L CA -0.429 54.554 54.840 0.238 0.000 0.818 493 L CB 1.469 43.667 42.059 0.232 0.000 1.259 493 L HN 0.820 nan 8.230 nan 0.000 0.418 494 A N 2.729 125.685 122.820 0.226 0.000 2.355 494 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 494 A C -0.363 177.291 177.584 0.116 0.000 1.094 494 A CA 0.110 52.271 52.037 0.208 0.000 0.764 494 A CB 1.299 20.483 19.000 0.306 0.000 1.230 494 A HN 0.891 nan 8.150 nan 0.000 0.448 495 T N -1.876 112.680 114.554 0.003 0.000 2.887 495 T HA 0.659 5.008 4.350 -0.000 0.000 0.292 495 T C 0.645 175.140 174.700 -0.341 0.000 1.087 495 T CA 0.091 62.011 62.100 -0.302 0.000 1.009 495 T CB 1.594 70.379 68.868 -0.138 0.000 1.203 495 T HN 1.431 nan 8.240 nan 0.000 0.518 496 A N -0.141 122.383 122.820 -0.493 0.000 2.238 496 A HA 0.434 4.753 4.320 -0.000 0.000 0.208 496 A C 1.957 179.497 177.584 -0.073 0.000 1.177 496 A CA 0.609 52.532 52.037 -0.189 0.000 0.804 496 A CB -1.004 17.892 19.000 -0.174 0.000 0.823 496 A HN 1.149 nan 8.150 nan 0.000 0.482 497 G N -0.667 108.072 108.800 -0.102 0.000 3.124 497 G HA2 0.139 4.098 3.960 -0.000 0.000 0.212 497 G HA3 0.139 4.098 3.960 -0.000 0.000 0.212 497 G C 0.577 175.436 174.900 -0.069 0.000 1.181 497 G CA 0.492 45.543 45.100 -0.082 0.000 0.803 497 G HN 0.579 nan 8.290 nan 0.000 0.529 498 N N -1.797 116.885 118.700 -0.031 0.000 2.882 498 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 498 N C -0.364 175.089 175.510 -0.094 0.000 1.079 498 N CA 0.546 53.577 53.050 -0.031 0.000 0.800 498 N CB -1.556 36.906 38.487 -0.042 0.000 1.124 498 N HN 0.333 nan 8.380 nan 0.000 0.557 499 L N -0.306 120.839 121.223 -0.130 0.000 2.370 499 L HA 0.780 5.120 4.340 -0.000 0.000 0.266 499 L C 0.073 176.797 176.870 -0.243 0.000 1.002 499 L CA -1.275 53.404 54.840 -0.268 0.000 0.818 499 L CB 2.087 43.913 42.059 -0.389 0.000 1.325 499 L HN -0.005 nan 8.230 nan 0.000 0.418 500 V N -1.150 118.570 119.914 -0.324 0.000 2.656 500 V HA 0.665 4.785 4.120 -0.000 0.000 0.307 500 V C -1.168 174.823 176.094 -0.172 0.000 1.051 500 V CA -0.509 61.671 62.300 -0.199 0.000 0.893 500 V CB 1.800 33.439 31.823 -0.306 0.000 0.999 500 V HN 0.489 nan 8.190 nan 0.000 0.426 501 F N 1.995 121.971 119.950 0.044 0.000 2.546 501 F HA 0.902 5.429 4.527 -0.000 0.000 0.320 501 F C 0.518 176.437 175.800 0.199 0.000 1.076 501 F CA -0.324 57.712 58.000 0.060 0.000 0.928 501 F CB 2.544 41.517 39.000 -0.045 0.000 1.189 501 F HN 0.842 nan 8.300 nan 0.000 0.465 502 T N 0.133 114.956 114.554 0.448 0.000 2.711 502 T HA 0.725 5.075 4.350 -0.000 0.000 0.302 502 T C -1.007 174.001 174.700 0.514 0.000 1.373 502 T CA -0.658 61.709 62.100 0.445 0.000 1.000 502 T CB 1.754 70.808 68.868 0.310 0.000 1.483 502 T HN 0.884 nan 8.240 nan 0.000 0.499 503 G N 0.949 110.006 108.800 0.429 0.000 2.481 503 G HA2 0.631 4.591 3.960 -0.000 0.000 0.315 503 G HA3 0.631 4.591 3.960 -0.000 0.000 0.315 503 G C -0.326 174.764 174.900 0.317 0.000 1.231 503 G CA -0.363 44.977 45.100 0.400 0.000 0.968 503 G HN 0.880 nan 8.290 nan 0.000 0.482 504 T N -1.835 112.893 114.554 0.290 0.000 2.952 504 T HA 0.550 4.900 4.350 -0.000 0.000 0.286 504 T C 1.512 176.334 174.700 0.204 0.000 1.024 504 T CA 0.210 62.464 62.100 0.256 0.000 1.029 504 T CB 1.735 70.769 68.868 0.277 0.000 1.094 504 T HN 0.765 nan 8.240 nan 0.000 0.515 505 G N 0.240 109.137 108.800 0.162 0.000 2.509 505 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.218 505 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.218 505 G C 0.703 175.529 174.900 -0.123 0.000 1.124 505 G CA 0.733 45.854 45.100 0.036 0.000 0.776 505 G HN 0.933 nan 8.290 nan 0.000 0.547 506 D N -1.698 118.683 120.400 -0.033 0.000 2.325 506 D HA 0.319 4.959 4.640 -0.000 0.000 0.225 506 D C 1.581 177.776 176.300 -0.175 0.000 1.096 506 D CA 0.369 54.323 54.000 -0.076 0.000 0.844 506 D CB -0.153 40.661 40.800 0.023 0.000 0.925 506 D HN 0.285 nan 8.370 nan 0.000 0.513 507 G N -0.762 107.955 108.800 -0.140 0.000 2.175 507 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 507 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 507 G C -0.415 174.313 174.900 -0.287 0.000 0.982 507 G CA -0.382 44.589 45.100 -0.215 0.000 0.641 507 G HN 0.319 nan 8.290 nan 0.000 0.527 508 Y N 0.021 120.306 120.300 -0.024 0.000 2.336 508 Y HA 0.584 5.133 4.550 -0.000 0.000 0.335 508 Y C 0.437 176.385 175.900 0.080 0.000 1.046 508 Y CA -1.225 56.851 58.100 -0.040 0.000 1.198 508 Y CB 0.647 39.061 38.460 -0.076 0.000 1.182 508 Y HN 0.124 nan 8.280 nan 0.000 0.502 509 F N 5.335 125.301 119.950 0.026 0.000 2.424 509 F HA 0.431 4.958 4.527 -0.000 0.000 0.356 509 F C -0.459 175.325 175.800 -0.026 0.000 1.110 509 F CA -1.281 56.733 58.000 0.024 0.000 1.161 509 F CB 0.108 39.069 39.000 -0.064 0.000 1.115 509 F HN 0.407 nan 8.300 nan 0.000 0.507 510 K N 4.436 124.764 120.400 -0.120 0.000 2.267 510 K HA 0.853 5.173 4.320 -0.000 0.000 0.246 510 K C -1.275 175.154 176.600 -0.285 0.000 0.954 510 K CA -1.256 54.873 56.287 -0.263 0.000 0.824 510 K CB 2.048 34.336 32.500 -0.353 0.000 1.167 510 K HN 0.575 nan 8.250 nan 0.000 0.431 511 A N 2.255 124.805 122.820 -0.450 0.000 2.330 511 A HA 0.719 5.039 4.320 -0.000 0.000 0.313 511 A C -1.338 175.678 177.584 -0.948 0.000 1.124 511 A CA -0.630 50.990 52.037 -0.696 0.000 0.774 511 A CB 0.220 18.816 19.000 -0.673 0.000 1.198 511 A HN 0.543 nan 8.150 nan 0.000 0.465 512 F N 0.957 120.642 119.950 -0.442 0.000 2.492 512 F HA 0.344 4.871 4.527 -0.000 0.000 0.327 512 F C 0.596 176.143 175.800 -0.421 0.000 1.079 512 F CA -0.735 57.011 58.000 -0.423 0.000 0.967 512 F CB 1.426 40.177 39.000 -0.415 0.000 1.169 512 F HN 0.612 nan 8.300 nan 0.000 0.472 513 D N 1.607 121.863 120.400 -0.240 0.000 2.383 513 D HA 0.147 4.787 4.640 -0.000 0.000 0.252 513 D C 0.809 177.001 176.300 -0.180 0.000 1.166 513 D CA 0.151 54.017 54.000 -0.224 0.000 0.879 513 D CB 1.679 42.336 40.800 -0.238 0.000 1.164 513 D HN 0.732 nan 8.370 nan 0.000 0.462 514 A N 4.625 127.413 122.820 -0.054 0.000 2.121 514 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 514 A C 1.938 179.770 177.584 0.412 0.000 1.154 514 A CA 1.118 53.250 52.037 0.157 0.000 0.679 514 A CB 0.041 19.089 19.000 0.080 0.000 0.795 514 A HN 0.633 nan 8.150 nan 0.000 0.458 515 K N -0.734 119.772 120.400 0.178 0.000 2.308 515 K HA 0.021 4.341 4.320 -0.000 0.000 0.197 515 K C 1.734 178.417 176.600 0.137 0.000 1.049 515 K CA 0.991 57.398 56.287 0.201 0.000 0.991 515 K CB 0.274 32.825 32.500 0.084 0.000 0.836 515 K HN 0.563 nan 8.250 nan 0.000 0.500 516 S N -1.801 113.801 115.700 -0.164 0.000 2.632 516 S HA 0.214 4.684 4.470 -0.000 0.000 0.237 516 S C 1.318 175.398 174.600 -0.868 0.000 1.037 516 S CA 0.293 58.303 58.200 -0.316 0.000 1.009 516 S CB 1.071 64.149 63.200 -0.203 0.000 0.974 516 S HN 0.310 nan 8.310 nan 0.000 0.544 517 G N 2.019 109.786 108.800 -1.723 0.000 2.179 517 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 517 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 517 G C -0.017 174.433 174.900 -0.752 0.000 0.977 517 G CA 0.442 44.301 45.100 -2.068 0.000 0.641 517 G HN 0.812 nan 8.290 nan 0.000 0.533 518 K N 1.344 121.482 120.400 -0.436 0.000 2.412 518 K HA 0.287 4.607 4.320 -0.000 0.000 0.281 518 K C 0.529 177.004 176.600 -0.208 0.000 1.027 518 K CA -0.152 56.002 56.287 -0.222 0.000 0.989 518 K CB 0.297 32.671 32.500 -0.208 0.000 0.935 518 K HN 0.374 nan 8.250 nan 0.000 0.475 519 E N 4.898 124.967 120.200 -0.218 0.000 2.351 519 E HA -0.030 4.320 4.350 -0.000 0.000 0.266 519 E C 0.149 176.506 176.600 -0.404 0.000 1.031 519 E CA -0.060 56.007 56.400 -0.554 0.000 0.911 519 E CB 0.490 29.882 29.700 -0.514 0.000 0.986 519 E HN 0.677 nan 8.360 nan 0.000 0.446 520 L N 4.436 125.406 121.223 -0.423 0.000 2.470 520 L HA 0.297 4.637 4.340 -0.000 0.000 0.219 520 L C 0.145 176.973 176.870 -0.070 0.000 1.071 520 L CA -0.210 54.495 54.840 -0.224 0.000 0.850 520 L CB 0.304 42.242 42.059 -0.201 0.000 1.040 520 L HN 0.600 nan 8.230 nan 0.000 0.475 521 W N 1.462 122.530 121.300 -0.387 0.000 3.363 521 W HA 0.432 5.092 4.660 -0.001 0.000 0.306 521 W C -1.676 174.648 176.519 -0.325 0.000 1.253 521 W CA -1.067 56.111 57.345 -0.278 0.000 1.195 521 W CB 1.145 30.466 29.460 -0.231 0.000 1.366 521 W HN -0.195 nan 8.180 nan 0.000 0.551 522 K N 4.371 124.136 120.400 -1.059 0.000 2.542 522 K HA 0.694 5.014 4.320 -0.000 0.000 0.259 522 K C -2.444 173.545 176.600 -1.018 0.000 0.932 522 K CA -0.780 54.895 56.287 -1.020 0.000 0.820 522 K CB 2.470 34.561 32.500 -0.681 0.000 1.345 522 K HN 0.446 nan 8.250 nan 0.000 0.432 523 F N 1.935 121.377 119.950 -0.845 0.000 2.547 523 F HA 0.277 4.804 4.527 -0.000 0.000 0.316 523 F C -0.859 174.890 175.800 -0.084 0.000 1.121 523 F CA -0.499 57.272 58.000 -0.381 0.000 0.911 523 F CB 2.518 41.399 39.000 -0.199 0.000 1.179 523 F HN 0.702 nan 8.300 nan 0.000 0.443 524 Q N 3.077 122.442 119.800 -0.726 0.000 2.323 524 Q HA 0.216 4.556 4.340 -0.000 0.000 0.257 524 Q C 0.614 176.189 176.000 -0.708 0.000 1.022 524 Q CA 0.558 55.886 55.803 -0.792 0.000 0.919 524 Q CB 1.220 29.506 28.738 -0.754 0.000 1.220 524 Q HN 0.800 nan 8.270 nan 0.000 0.427 525 T N 0.316 114.594 114.554 -0.460 0.000 3.044 525 T HA 0.326 4.676 4.350 -0.000 0.000 0.255 525 T C 1.180 175.734 174.700 -0.244 0.000 1.073 525 T CA 0.557 62.354 62.100 -0.504 0.000 1.125 525 T CB 0.230 68.689 68.868 -0.682 0.000 0.908 525 T HN 0.794 nan 8.240 nan 0.000 0.480 526 G N -0.171 108.508 108.800 -0.201 0.000 2.480 526 G HA2 0.008 3.968 3.960 -0.000 0.000 0.193 526 G HA3 0.008 3.968 3.960 -0.000 0.000 0.193 526 G C 0.096 174.970 174.900 -0.044 0.000 1.004 526 G CA 0.163 45.219 45.100 -0.073 0.000 0.696 526 G HN 0.933 nan 8.290 nan 0.000 0.478 527 S N -0.830 114.845 115.700 -0.041 0.000 2.570 527 S HA 0.632 5.102 4.470 -0.000 0.000 0.270 527 S C 0.286 174.905 174.600 0.032 0.000 1.149 527 S CA 0.650 58.862 58.200 0.020 0.000 0.837 527 S CB 1.046 64.313 63.200 0.111 0.000 1.124 527 S HN 1.671 nan 8.310 nan 0.000 0.465 528 G N 1.940 110.777 108.800 0.061 0.000 2.353 528 G HA2 0.390 4.350 3.960 -0.000 0.000 0.239 528 G HA3 0.390 4.350 3.960 -0.000 0.000 0.239 528 G C -0.332 174.769 174.900 0.334 0.000 1.295 528 G CA -0.161 45.028 45.100 0.149 0.000 0.884 528 G HN 0.691 nan 8.290 nan 0.000 0.537 529 I N 1.957 122.697 120.570 0.284 0.000 2.315 529 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 529 I C 0.611 176.953 176.117 0.375 0.000 1.006 529 I CA -0.546 60.924 61.300 0.284 0.000 1.265 529 I CB 1.804 39.925 38.000 0.202 0.000 1.387 529 I HN 0.356 nan 8.210 nan 0.000 0.475 530 V N 2.242 122.397 119.914 0.402 0.000 2.872 530 V HA 0.362 4.482 4.120 -0.000 0.000 0.367 530 V C 0.009 176.434 176.094 0.551 0.000 1.343 530 V CA -0.244 62.360 62.300 0.507 0.000 1.219 530 V CB -0.185 32.003 31.823 0.609 0.000 1.308 530 V HN 0.699 nan 8.190 nan 0.000 0.610 531 S N 0.079 116.042 115.700 0.438 0.000 2.599 531 S HA 0.908 5.378 4.470 -0.000 0.000 0.287 531 S C -3.386 171.414 174.600 0.332 0.000 1.105 531 S CA -1.730 56.746 58.200 0.460 0.000 0.899 531 S CB 2.271 65.706 63.200 0.392 0.000 1.100 531 S HN 0.235 nan 8.310 nan 0.000 0.482 532 P HA 0.426 nan 4.420 nan 0.000 0.292 532 P C -2.659 174.769 177.300 0.212 0.000 1.326 532 P CA -1.622 61.617 63.100 0.231 0.000 0.787 532 P CB 0.250 32.065 31.700 0.192 0.000 0.903 533 P HA 0.178 nan 4.420 nan 0.000 0.271 533 P C -0.143 177.262 177.300 0.175 0.000 1.218 533 P CA 0.015 63.210 63.100 0.158 0.000 0.780 533 P CB 0.844 32.681 31.700 0.227 0.000 0.901 534 I N -1.842 118.846 120.570 0.197 0.000 3.294 534 I HA 0.872 5.041 4.170 -0.000 0.000 0.311 534 I C -0.643 175.622 176.117 0.247 0.000 1.111 534 I CA -0.877 60.560 61.300 0.229 0.000 0.976 534 I CB 2.327 40.486 38.000 0.265 0.000 1.260 534 I HN 0.279 nan 8.210 nan 0.000 0.474 535 T N 0.938 115.670 114.554 0.298 0.000 2.889 535 T HA 0.658 5.007 4.350 -0.000 0.000 0.315 535 T C -2.393 172.553 174.700 0.409 0.000 1.291 535 T CA -0.375 61.864 62.100 0.231 0.000 1.028 535 T CB 1.244 70.096 68.868 -0.027 0.000 1.235 535 T HN 0.977 nan 8.240 nan 0.000 0.491 536 W N 2.589 123.918 121.300 0.047 0.000 3.161 536 W HA 0.729 5.388 4.660 -0.001 0.000 0.314 536 W C -1.934 174.648 176.519 0.105 0.000 1.245 536 W CA -0.789 56.593 57.345 0.062 0.000 1.191 536 W CB 0.688 30.190 29.460 0.070 0.000 1.392 536 W HN 0.717 nan 8.180 nan 0.000 0.568 537 E N 2.134 122.394 120.200 0.101 0.000 2.179 537 E HA 0.398 4.748 4.350 -0.000 0.000 0.275 537 E C -1.343 175.364 176.600 0.178 0.000 0.945 537 E CA -0.757 55.661 56.400 0.030 0.000 0.792 537 E CB 2.005 31.724 29.700 0.032 0.000 1.125 537 E HN 0.585 nan 8.360 nan 0.000 0.397 538 Q N 2.998 122.911 119.800 0.188 0.000 2.309 538 Q HA 0.128 4.468 4.340 -0.000 0.000 0.273 538 Q C -1.430 174.679 176.000 0.182 0.000 1.040 538 Q CA -0.526 55.420 55.803 0.238 0.000 0.834 538 Q CB 1.334 30.256 28.738 0.308 0.000 1.345 538 Q HN 0.644 nan 8.270 nan 0.000 0.414 539 D N 2.525 122.998 120.400 0.122 0.000 2.692 539 D HA -0.211 4.429 4.640 -0.000 0.000 0.233 539 D C 0.638 176.965 176.300 0.045 0.000 1.172 539 D CA 2.211 56.261 54.000 0.083 0.000 0.636 539 D CB -1.082 39.777 40.800 0.099 0.000 1.028 539 D HN 1.044 nan 8.370 nan 0.000 0.419 540 G N -0.235 108.577 108.800 0.020 0.000 2.166 540 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.260 540 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.260 540 G C 0.183 175.034 174.900 -0.083 0.000 0.986 540 G CA 0.694 45.780 45.100 -0.024 0.000 0.683 540 G HN 0.577 nan 8.290 nan 0.000 0.527 541 E N -0.436 119.701 120.200 -0.106 0.000 2.212 541 E HA 0.579 4.929 4.350 -0.000 0.000 0.268 541 E C -0.019 176.355 176.600 -0.376 0.000 0.902 541 E CA -0.574 55.657 56.400 -0.281 0.000 0.779 541 E CB 1.116 30.564 29.700 -0.418 0.000 1.172 541 E HN 0.302 nan 8.360 nan 0.000 0.409 542 Q N 2.981 122.493 119.800 -0.481 0.000 2.331 542 Q HA 0.274 4.614 4.340 -0.000 0.000 0.257 542 Q C -1.405 174.182 176.000 -0.689 0.000 0.957 542 Q CA -0.490 55.035 55.803 -0.462 0.000 0.923 542 Q CB 0.544 29.082 28.738 -0.333 0.000 1.212 542 Q HN 0.537 nan 8.270 nan 0.000 0.443 543 Y N 2.835 122.724 120.300 -0.684 0.000 2.387 543 Y HA 0.420 4.969 4.550 -0.000 0.000 0.336 543 Y C -0.203 175.257 175.900 -0.733 0.000 1.067 543 Y CA -0.881 56.713 58.100 -0.844 0.000 1.114 543 Y CB 1.248 38.850 38.460 -1.430 0.000 1.208 543 Y HN 0.387 nan 8.280 nan 0.000 0.458 544 L N 2.650 123.694 121.223 -0.299 0.000 2.346 544 L HA 0.762 5.102 4.340 -0.000 0.000 0.276 544 L C 0.164 177.061 176.870 0.045 0.000 1.006 544 L CA -0.457 54.293 54.840 -0.150 0.000 0.817 544 L CB 1.576 43.492 42.059 -0.239 0.000 1.272 544 L HN 0.844 nan 8.230 nan 0.000 0.421 545 G N 1.246 110.146 108.800 0.166 0.000 2.619 545 G HA2 0.655 4.615 3.960 -0.000 0.000 0.296 545 G HA3 0.655 4.615 3.960 -0.000 0.000 0.296 545 G C -1.914 172.889 174.900 -0.162 0.000 1.334 545 G CA -0.537 44.572 45.100 0.016 0.000 0.934 545 G HN 0.360 nan 8.290 nan 0.000 0.476 546 V N -0.058 119.522 119.914 -0.555 0.000 2.924 546 V HA 0.651 4.771 4.120 -0.000 0.000 0.300 546 V C -0.563 175.305 176.094 -0.377 0.000 1.227 546 V CA -0.595 61.450 62.300 -0.424 0.000 0.954 546 V CB 2.420 33.774 31.823 -0.782 0.000 1.055 546 V HN 0.944 nan 8.190 nan 0.000 0.429 547 T N 5.371 119.969 114.554 0.072 0.000 2.806 547 T HA 0.655 5.005 4.350 -0.000 0.000 0.290 547 T C -0.449 174.389 174.700 0.230 0.000 0.966 547 T CA -0.297 61.998 62.100 0.326 0.000 1.060 547 T CB 1.354 70.530 68.868 0.514 0.000 0.927 547 T HN 0.526 nan 8.240 nan 0.000 0.485 548 V N 1.912 121.969 119.914 0.238 0.000 2.604 548 V HA 0.908 5.028 4.120 -0.000 0.000 0.305 548 V C 0.346 176.595 176.094 0.257 0.000 1.043 548 V CA -0.495 61.922 62.300 0.195 0.000 0.888 548 V CB 1.768 33.657 31.823 0.109 0.000 0.995 548 V HN 1.228 nan 8.190 nan 0.000 0.429 549 G N 3.035 111.993 108.800 0.263 0.000 2.362 549 G HA2 0.036 3.995 3.960 -0.000 0.000 0.189 549 G HA3 0.036 3.995 3.960 -0.000 0.000 0.189 549 G C -1.242 173.842 174.900 0.307 0.000 1.374 549 G CA -0.880 44.390 45.100 0.282 0.000 1.140 549 G HN 0.735 nan 8.290 nan 0.000 0.611 550 Y N 2.029 122.436 120.300 0.178 0.000 2.702 550 Y HA 0.472 5.021 4.550 -0.000 0.000 0.336 550 Y C 1.086 177.096 175.900 0.183 0.000 1.235 550 Y CA 2.120 60.325 58.100 0.176 0.000 1.492 550 Y CB 1.128 39.663 38.460 0.125 0.000 1.308 550 Y HN 1.339 nan 8.280 nan 0.000 0.589 551 G N 1.123 109.553 108.800 -0.616 0.000 2.566 551 G HA2 0.495 4.455 3.960 -0.000 0.000 0.138 551 G HA3 0.495 4.455 3.960 -0.000 0.000 0.138 551 G C -0.152 174.566 174.900 -0.304 0.000 1.133 551 G CA 0.122 44.968 45.100 -0.423 0.000 1.037 551 G HN 1.677 nan 8.290 nan 0.000 0.491 552 G N -0.957 107.837 108.800 -0.010 0.000 2.499 552 G HA2 0.308 4.268 3.960 -0.000 0.000 0.232 552 G HA3 0.308 4.268 3.960 -0.000 0.000 0.232 552 G C 1.240 176.212 174.900 0.120 0.000 1.251 552 G CA 1.756 46.956 45.100 0.167 0.000 0.917 552 G HN 2.181 nan 8.290 nan 0.000 0.580 553 A N -1.162 121.768 122.820 0.183 0.000 2.021 553 A HA 0.447 4.767 4.320 -0.000 0.000 0.216 553 A C 2.653 180.294 177.584 0.094 0.000 1.163 553 A CA 2.523 54.676 52.037 0.193 0.000 0.676 553 A CB -0.367 18.776 19.000 0.239 0.000 0.818 553 A HN 1.521 nan 8.150 nan 0.000 0.453 554 V N 1.132 120.909 119.914 -0.228 0.000 2.255 554 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 554 V C -0.273 175.856 176.094 0.059 0.000 1.051 554 V CA 2.523 64.745 62.300 -0.131 0.000 1.018 554 V CB -1.651 30.007 31.823 -0.276 0.000 0.641 554 V HN 0.404 nan 8.190 nan 0.000 0.445 555 P HA -0.095 nan 4.420 nan 0.000 0.222 555 P C 1.544 178.920 177.300 0.127 0.000 1.147 555 P CA 1.382 64.555 63.100 0.122 0.000 0.790 555 P CB -0.130 31.642 31.700 0.120 0.000 0.780 556 L N -5.991 115.334 121.223 0.169 0.000 2.357 556 L HA 0.285 4.625 4.340 -0.000 0.000 0.211 556 L C 1.631 178.580 176.870 0.131 0.000 1.075 556 L CA 0.545 55.466 54.840 0.135 0.000 0.830 556 L CB -0.818 41.306 42.059 0.110 0.000 0.996 556 L HN -0.113 nan 8.230 nan 0.000 0.467 557 W N 0.510 121.905 121.300 0.158 0.000 2.871 557 W HA 0.416 5.076 4.660 -0.000 0.000 0.340 557 W C 2.150 178.801 176.519 0.220 0.000 1.058 557 W CA 0.057 57.569 57.345 0.279 0.000 1.633 557 W CB -0.001 29.673 29.460 0.357 0.000 1.067 557 W HN -0.018 nan 8.180 nan 0.000 0.554 558 G N 0.693 109.664 108.800 0.284 0.000 2.470 558 G HA2 0.197 4.157 3.960 -0.000 0.000 0.220 558 G HA3 0.197 4.157 3.960 -0.000 0.000 0.220 558 G C 1.458 176.446 174.900 0.146 0.000 1.121 558 G CA 1.132 46.313 45.100 0.134 0.000 0.766 558 G HN 0.430 nan 8.290 nan 0.000 0.553 559 G N 0.875 109.791 108.800 0.194 0.000 2.601 559 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.306 559 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.306 559 G C 0.974 175.960 174.900 0.144 0.000 1.172 559 G CA 0.684 45.891 45.100 0.179 0.000 0.966 559 G HN 0.302 nan 8.290 nan 0.000 0.542 560 D N 0.272 120.759 120.400 0.145 0.000 2.219 560 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 560 D C 2.482 178.870 176.300 0.146 0.000 0.970 560 D CA 1.632 55.714 54.000 0.136 0.000 0.851 560 D CB -0.161 40.719 40.800 0.133 0.000 0.943 560 D HN 0.269 nan 8.370 nan 0.000 0.488 561 M N 0.330 120.036 119.600 0.177 0.000 2.506 561 M HA 0.123 4.602 4.480 -0.000 0.000 0.260 561 M C 1.872 178.272 176.300 0.166 0.000 1.104 561 M CA 0.265 55.691 55.300 0.210 0.000 1.112 561 M CB -0.012 32.830 32.600 0.402 0.000 1.401 561 M HN -0.020 nan 8.290 nan 0.000 0.473 562 A N -0.378 122.530 122.820 0.147 0.000 1.930 562 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 562 A C 1.919 179.571 177.584 0.112 0.000 1.175 562 A CA 2.056 54.173 52.037 0.134 0.000 0.627 562 A CB -0.719 18.358 19.000 0.128 0.000 0.815 562 A HN 0.501 nan 8.150 nan 0.000 0.443 563 D N -0.611 119.851 120.400 0.103 0.000 2.249 563 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 563 D C 1.705 178.050 176.300 0.075 0.000 0.962 563 D CA 0.511 54.562 54.000 0.085 0.000 0.860 563 D CB -0.238 40.612 40.800 0.084 0.000 0.955 563 D HN 0.334 nan 8.370 nan 0.000 0.505 564 L N -0.155 121.112 121.223 0.073 0.000 2.093 564 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 564 L C 1.876 178.745 176.870 -0.002 0.000 1.085 564 L CA 1.312 56.175 54.840 0.038 0.000 0.755 564 L CB -0.349 41.721 42.059 0.017 0.000 0.904 564 L HN 0.097 nan 8.230 nan 0.000 0.435 565 T N -0.987 113.577 114.554 0.016 0.000 3.113 565 T HA -0.054 4.296 4.350 -0.000 0.000 0.256 565 T C 1.789 176.504 174.700 0.024 0.000 1.131 565 T CA 0.168 62.266 62.100 -0.003 0.000 1.074 565 T CB -0.038 68.884 68.868 0.090 0.000 0.944 565 T HN 0.252 nan 8.240 nan 0.000 0.516 566 R N 1.368 121.898 120.500 0.050 0.000 2.091 566 R HA -0.055 4.285 4.340 -0.000 0.000 0.238 566 R C -0.736 175.590 176.300 0.043 0.000 1.136 566 R CA 1.376 57.514 56.100 0.063 0.000 0.959 566 R CB -0.668 29.670 30.300 0.063 0.000 0.856 566 R HN 0.359 nan 8.270 nan 0.000 0.437 567 P HA 0.085 nan 4.420 nan 0.000 0.255 567 P C -0.746 176.540 177.300 -0.023 0.000 1.427 567 P CA 0.292 63.397 63.100 0.009 0.000 0.863 567 P CB 0.321 32.029 31.700 0.013 0.000 1.444 568 V N 1.506 121.382 119.914 -0.063 0.000 2.368 568 V HA 0.376 4.495 4.120 -0.000 0.000 0.266 568 V C 0.949 177.028 176.094 -0.025 0.000 1.045 568 V CA -1.085 61.134 62.300 -0.136 0.000 0.899 568 V CB 0.426 31.995 31.823 -0.424 0.000 1.006 568 V HN 0.235 nan 8.190 nan 0.000 0.470 569 A N 5.901 128.729 122.820 0.013 0.000 2.598 569 A HA 0.043 4.363 4.320 -0.000 0.000 0.239 569 A C 0.613 178.276 177.584 0.133 0.000 1.032 569 A CA 0.397 52.473 52.037 0.065 0.000 0.760 569 A CB -0.096 18.929 19.000 0.041 0.000 0.946 569 A HN 0.853 nan 8.150 nan 0.000 0.512 570 Q N 0.427 120.322 119.800 0.158 0.000 2.471 570 Q HA 0.537 4.876 4.340 -0.000 0.000 0.223 570 Q C 0.602 176.701 176.000 0.164 0.000 1.045 570 Q CA 0.496 56.416 55.803 0.194 0.000 0.956 570 Q CB 0.955 29.802 28.738 0.182 0.000 1.249 570 Q HN 1.035 nan 8.270 nan 0.000 0.549 571 G N -1.634 107.276 108.800 0.184 0.000 2.489 571 G HA2 0.590 4.549 3.960 -0.000 0.000 0.305 571 G HA3 0.590 4.549 3.960 -0.000 0.000 0.305 571 G C -1.469 173.556 174.900 0.208 0.000 1.311 571 G CA -0.189 45.012 45.100 0.169 0.000 0.813 571 G HN 0.744 nan 8.290 nan 0.000 0.480 572 G N -0.854 108.055 108.800 0.183 0.000 1.824 572 G HA2 0.706 4.665 3.960 -0.000 0.000 0.294 572 G HA3 0.706 4.665 3.960 -0.000 0.000 0.294 572 G C -0.650 174.155 174.900 -0.160 0.000 1.796 572 G CA 1.054 46.304 45.100 0.249 0.000 0.919 572 G HN 2.214 nan 8.290 nan 0.000 0.595 573 S N 1.028 116.469 115.700 -0.432 0.000 2.622 573 S HA 0.727 5.197 4.470 -0.000 0.000 0.275 573 S C -1.891 172.552 174.600 -0.263 0.000 1.112 573 S CA -0.922 56.855 58.200 -0.705 0.000 0.837 573 S CB 1.334 64.409 63.200 -0.209 0.000 1.082 573 S HN 1.566 nan 8.310 nan 0.000 0.456 574 F N 1.391 121.118 119.950 -0.371 0.000 2.480 574 F HA 0.864 5.391 4.527 -0.001 0.000 0.329 574 F C -1.519 174.326 175.800 0.075 0.000 1.091 574 F CA -0.360 57.669 58.000 0.048 0.000 0.972 574 F CB 1.295 40.386 39.000 0.151 0.000 1.150 574 F HN 0.736 nan 8.300 nan 0.000 0.467 575 W N 5.176 126.118 121.300 -0.597 0.000 2.739 575 W HA 0.694 5.354 4.660 0.000 0.000 0.331 575 W C -1.626 174.392 176.519 -0.834 0.000 1.049 575 W CA -0.851 56.132 57.345 -0.604 0.000 1.234 575 W CB 1.866 31.108 29.460 -0.364 0.000 1.404 575 W HN 0.258 nan 8.180 nan 0.000 0.477 576 V N 3.718 123.177 119.914 -0.758 0.000 2.680 576 V HA 0.573 4.692 4.120 -0.000 0.000 0.309 576 V C -0.909 174.830 176.094 -0.591 0.000 1.052 576 V CA -1.061 60.865 62.300 -0.624 0.000 0.908 576 V CB 1.583 32.809 31.823 -0.995 0.000 1.001 576 V HN 0.300 nan 8.190 nan 0.000 0.431 577 F N 3.306 123.121 119.950 -0.225 0.000 2.563 577 F HA 0.843 5.370 4.527 -0.000 0.000 0.316 577 F C -0.009 175.636 175.800 -0.260 0.000 1.076 577 F CA -0.703 57.191 58.000 -0.177 0.000 0.921 577 F CB 2.311 41.263 39.000 -0.080 0.000 1.209 577 F HN 0.522 nan 8.300 nan 0.000 0.462 578 K N 0.769 121.103 120.400 -0.110 0.000 2.571 578 K HA 0.615 4.934 4.320 -0.000 0.000 0.289 578 K C -1.751 174.672 176.600 -0.295 0.000 1.028 578 K CA -0.873 55.236 56.287 -0.297 0.000 0.895 578 K CB 0.828 33.041 32.500 -0.478 0.000 1.534 578 K HN 0.490 nan 8.250 nan 0.000 0.421 579 L N 1.589 122.592 121.223 -0.366 0.000 2.436 579 L HA 0.400 4.740 4.340 -0.000 0.000 0.265 579 L C -1.946 174.708 176.870 -0.359 0.000 1.168 579 L CA -1.810 52.807 54.840 -0.371 0.000 0.815 579 L CB 0.484 42.317 42.059 -0.377 0.000 1.109 579 L HN 0.509 nan 8.230 nan 0.000 0.462 580 P HA 0.025 nan 4.420 nan 0.000 0.271 580 P C 0.381 177.361 177.300 -0.534 0.000 1.216 580 P CA -0.285 62.485 63.100 -0.550 0.000 0.776 580 P CB 1.074 32.157 31.700 -1.027 0.000 0.881 581 S N 3.398 118.943 115.700 -0.258 0.000 2.383 581 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 581 S C 0.751 175.330 174.600 -0.035 0.000 1.030 581 S CA 0.438 58.589 58.200 -0.081 0.000 1.002 581 S CB -0.786 62.474 63.200 0.099 0.000 0.829 581 S HN 0.544 nan 8.310 nan 0.000 0.467 582 W N 0.000 121.272 121.300 -0.047 0.000 2.388 582 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 582 W CA 0.000 57.322 57.345 -0.038 0.000 1.226 582 W CB 0.000 29.445 29.460 -0.025 0.000 1.126 582 W HN 0.000 nan 8.180 nan 0.000 0.535