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 1nx9_1_C DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVHMPT DQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSAYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 3.667 124.137 120.400 0.117 0.000 2.346 51 D HA 0.099 4.739 4.640 0.000 0.000 0.260 51 D C -1.194 175.172 176.300 0.110 0.000 1.252 51 D CA -2.052 51.987 54.000 0.065 0.000 0.895 51 D CB 1.329 42.158 40.800 0.048 0.000 1.097 51 D HN 0.307 nan 8.370 nan 0.000 0.489 52 P HA -0.091 nan 4.420 nan 0.000 0.223 52 P C 1.496 178.832 177.300 0.060 0.000 1.151 52 P CA 0.576 63.731 63.100 0.092 0.000 0.787 52 P CB 0.356 32.082 31.700 0.044 0.000 0.788 53 L N -1.467 119.781 121.223 0.041 0.000 2.552 53 L HA 0.035 4.375 4.340 0.000 0.000 0.227 53 L C 2.029 178.916 176.870 0.029 0.000 1.146 53 L CA 0.803 55.660 54.840 0.029 0.000 0.858 53 L CB -0.307 41.764 42.059 0.020 0.000 0.969 53 L HN -0.011 nan 8.230 nan 0.000 0.451 54 S N -1.885 113.838 115.700 0.038 0.000 2.930 54 S HA 0.171 4.641 4.470 0.000 0.000 0.253 54 S C 0.444 175.060 174.600 0.027 0.000 1.083 54 S CA -0.223 57.994 58.200 0.030 0.000 0.836 54 S CB 0.991 64.208 63.200 0.028 0.000 0.814 54 S HN -0.057 nan 8.310 nan 0.000 0.467 55 V N 3.370 123.313 119.914 0.048 0.000 2.350 55 V HA 0.544 4.664 4.120 0.000 0.000 0.276 55 V C -0.522 175.584 176.094 0.019 0.000 1.028 55 V CA -0.483 61.824 62.300 0.013 0.000 0.860 55 V CB 1.106 32.919 31.823 -0.016 0.000 0.990 55 V HN 0.268 nan 8.190 nan 0.000 0.453 56 Q N 3.627 123.417 119.800 -0.017 0.000 2.394 56 Q HA 0.400 4.740 4.340 0.000 0.000 0.259 56 Q C 0.546 176.519 176.000 -0.045 0.000 1.021 56 Q CA -0.097 55.703 55.803 -0.005 0.000 0.805 56 Q CB 1.535 30.277 28.738 0.006 0.000 1.226 56 Q HN 0.858 nan 8.270 nan 0.000 0.476 57 T N 0.110 114.633 114.554 -0.052 0.000 3.092 57 T HA 0.488 4.838 4.350 0.000 0.000 0.258 57 T C 0.663 175.357 174.700 -0.010 0.000 1.031 57 T CA 0.130 62.189 62.100 -0.068 0.000 0.925 57 T CB 0.564 69.343 68.868 -0.148 0.000 1.036 57 T HN 0.457 nan 8.240 nan 0.000 0.544 58 G N 0.956 109.763 108.800 0.012 0.000 3.135 58 G HA2 0.576 4.536 3.960 0.000 0.000 0.159 58 G HA3 0.576 4.536 3.960 0.000 0.000 0.159 58 G C -1.008 173.898 174.900 0.011 0.000 1.244 58 G CA -0.602 44.509 45.100 0.018 0.000 0.965 58 G HN 0.317 nan 8.290 nan 0.000 0.599 59 S N -1.037 114.671 115.700 0.014 0.000 2.509 59 S HA 0.397 4.867 4.470 0.000 0.000 0.297 59 S C -0.120 174.488 174.600 0.013 0.000 1.118 59 S CA -0.536 57.671 58.200 0.011 0.000 1.074 59 S CB 1.597 64.803 63.200 0.010 0.000 1.038 59 S HN 0.323 nan 8.310 nan 0.000 0.498 60 D N 2.609 123.015 120.400 0.010 0.000 2.340 60 D HA 0.219 4.859 4.640 0.000 0.000 0.220 60 D C -0.009 176.298 176.300 0.012 0.000 1.039 60 D CA 0.478 54.485 54.000 0.012 0.000 0.866 60 D CB 0.004 40.810 40.800 0.009 0.000 0.913 60 D HN 0.526 nan 8.370 nan 0.000 0.523 61 I N 2.315 122.892 120.570 0.012 0.000 2.312 61 I HA 0.169 4.339 4.170 0.000 0.000 0.291 61 I C -1.965 174.162 176.117 0.015 0.000 1.031 61 I CA -1.829 59.479 61.300 0.013 0.000 1.293 61 I CB 1.056 39.063 38.000 0.012 0.000 1.403 61 I HN -0.287 nan 8.210 nan 0.000 0.484 62 P HA 0.085 nan 4.420 nan 0.000 0.268 62 P C 0.428 177.740 177.300 0.020 0.000 1.205 62 P CA -0.162 62.949 63.100 0.020 0.000 0.771 62 P CB 1.014 32.728 31.700 0.024 0.000 0.858 63 A N 2.396 125.227 122.820 0.018 0.000 1.902 63 A HA 0.005 4.325 4.320 0.000 0.000 0.217 63 A C 0.933 178.529 177.584 0.021 0.000 1.181 63 A CA 1.776 53.823 52.037 0.016 0.000 0.623 63 A CB -0.698 18.309 19.000 0.012 0.000 0.818 63 A HN 0.648 nan 8.150 nan 0.000 0.443 64 S N -1.414 114.300 115.700 0.024 0.000 2.541 64 S HA 0.595 5.065 4.470 0.000 0.000 0.280 64 S C -0.883 173.750 174.600 0.055 0.000 1.112 64 S CA -0.211 58.011 58.200 0.036 0.000 0.925 64 S CB 1.689 64.901 63.200 0.020 0.000 1.067 64 S HN 0.988 nan 8.310 nan 0.000 0.479 65 V N 0.712 120.676 119.914 0.083 0.000 2.495 65 V HA 0.698 4.818 4.120 0.000 0.000 0.298 65 V C -0.929 175.274 176.094 0.182 0.000 1.031 65 V CA -0.576 61.782 62.300 0.098 0.000 0.871 65 V CB 0.997 32.856 31.823 0.060 0.000 0.988 65 V HN 1.082 nan 8.190 nan 0.000 0.432 66 H N 3.933 123.007 119.070 0.007 0.000 2.429 66 H HA 0.608 5.164 4.556 0.000 0.000 0.231 66 H C -0.359 174.970 175.328 0.001 0.000 1.416 66 H CA -0.422 55.629 56.048 0.005 0.000 1.443 66 H CB 0.832 30.596 29.762 0.004 0.000 1.591 66 H HN 0.765 nan 8.280 nan 0.000 0.507 67 M N 2.419 122.003 119.600 -0.027 0.000 2.239 67 M HA 0.170 4.650 4.480 0.000 0.000 0.348 67 M C -1.317 174.945 176.300 -0.063 0.000 1.239 67 M CA -1.258 54.025 55.300 -0.028 0.000 1.114 67 M CB 0.905 33.490 32.600 -0.024 0.000 1.641 67 M HN 0.291 nan 8.290 nan 0.000 0.453 68 P HA -0.035 nan 4.420 nan 0.000 0.239 68 P C 0.591 177.862 177.300 -0.049 0.000 1.184 68 P CA 0.764 63.842 63.100 -0.036 0.000 0.760 68 P CB -0.357 31.336 31.700 -0.013 0.000 0.884 69 T N -4.568 109.954 114.554 -0.053 0.000 3.085 69 T HA -0.055 4.295 4.350 0.000 0.000 0.263 69 T C 1.212 175.859 174.700 -0.087 0.000 1.127 69 T CA 0.687 62.755 62.100 -0.053 0.000 1.103 69 T CB -0.491 68.356 68.868 -0.034 0.000 0.921 69 T HN 0.071 nan 8.240 nan 0.000 0.510 70 D N 1.994 122.324 120.400 -0.117 0.000 2.194 70 D HA -0.063 4.577 4.640 0.000 0.000 0.204 70 D C 2.266 178.471 176.300 -0.157 0.000 0.964 70 D CA 0.748 54.650 54.000 -0.162 0.000 0.846 70 D CB -0.104 40.582 40.800 -0.189 0.000 0.962 70 D HN 0.531 nan 8.370 nan 0.000 0.490 71 Q N 0.209 119.943 119.800 -0.111 0.000 2.432 71 Q HA 0.021 4.361 4.340 0.000 0.000 0.205 71 Q C 1.351 177.306 176.000 -0.074 0.000 0.945 71 Q CA 0.416 56.169 55.803 -0.084 0.000 0.924 71 Q CB 0.042 28.748 28.738 -0.053 0.000 1.016 71 Q HN 0.397 nan 8.270 nan 0.000 0.503 72 Q N 0.724 120.477 119.800 -0.077 0.000 2.280 72 Q HA 0.159 4.499 4.340 0.000 0.000 0.201 72 Q C 0.014 175.972 176.000 -0.069 0.000 0.890 72 Q CA -0.081 55.689 55.803 -0.056 0.000 0.947 72 Q CB 0.612 29.328 28.738 -0.037 0.000 1.081 72 Q HN 0.281 nan 8.270 nan 0.000 0.502 73 R N 1.145 121.564 120.500 -0.136 0.000 2.528 73 R HA 0.039 4.379 4.340 0.000 0.000 0.271 73 R C 0.369 176.591 176.300 -0.131 0.000 1.056 73 R CA -0.062 55.914 56.100 -0.206 0.000 1.117 73 R CB 0.506 30.474 30.300 -0.554 0.000 1.085 73 R HN 0.059 nan 8.270 nan 0.000 0.530 74 D N 0.287 120.677 120.400 -0.016 0.000 2.388 74 D HA 0.019 4.659 4.640 0.000 0.000 0.221 74 D C -0.456 175.932 176.300 0.146 0.000 1.133 74 D CA -0.059 53.980 54.000 0.065 0.000 0.831 74 D CB -0.085 40.778 40.800 0.105 0.000 0.962 74 D HN 0.464 nan 8.370 nan 0.000 0.502 75 Y N -2.072 118.236 120.300 0.013 0.000 2.655 75 Y HA 0.683 5.233 4.550 0.000 0.000 0.336 75 Y C -1.571 174.338 175.900 0.015 0.000 1.154 75 Y CA -1.806 56.305 58.100 0.018 0.000 1.055 75 Y CB 1.037 39.513 38.460 0.026 0.000 1.295 75 Y HN -0.239 nan 8.280 nan 0.000 0.465 76 I N 2.107 122.777 120.570 0.166 0.000 2.465 76 I HA 0.414 4.584 4.170 0.000 0.000 0.291 76 I C -0.855 175.393 176.117 0.219 0.000 1.014 76 I CA -0.869 60.477 61.300 0.077 0.000 1.093 76 I CB 2.150 40.178 38.000 0.047 0.000 1.267 76 I HN 0.597 nan 8.210 nan 0.000 0.431 77 K N 6.231 126.737 120.400 0.176 0.000 2.307 77 K HA 0.563 4.883 4.320 0.000 0.000 0.263 77 K C -0.851 175.813 176.600 0.107 0.000 0.973 77 K CA -0.698 55.702 56.287 0.188 0.000 0.846 77 K CB 1.170 33.816 32.500 0.243 0.000 1.100 77 K HN 0.525 nan 8.250 nan 0.000 0.438 78 R N 2.666 123.219 120.500 0.087 0.000 2.445 78 R HA 0.233 4.573 4.340 0.000 0.000 0.308 78 R C -0.930 175.378 176.300 0.014 0.000 0.961 78 R CA -0.584 55.554 56.100 0.064 0.000 0.862 78 R CB 1.640 31.989 30.300 0.082 0.000 1.144 78 R HN 0.602 nan 8.270 nan 0.000 0.447 79 E N 2.059 122.262 120.200 0.005 0.000 2.158 79 E HA 0.403 4.753 4.350 0.000 0.000 0.271 79 E C -1.428 175.125 176.600 -0.079 0.000 0.911 79 E CA -0.661 55.686 56.400 -0.088 0.000 0.767 79 E CB 2.596 32.326 29.700 0.050 0.000 1.120 79 E HN 0.095 nan 8.360 nan 0.000 0.405 80 V N 4.122 123.910 119.914 -0.210 0.000 2.932 80 V HA 0.315 4.435 4.120 0.000 0.000 0.307 80 V C -1.419 174.523 176.094 -0.254 0.000 1.147 80 V CA -0.818 61.376 62.300 -0.177 0.000 0.951 80 V CB 2.076 33.791 31.823 -0.180 0.000 1.031 80 V HN 0.671 nan 8.190 nan 0.000 0.426 81 M N 6.182 125.689 119.600 -0.156 0.000 2.261 81 M HA 0.366 4.846 4.480 0.000 0.000 0.349 81 M C -0.494 175.643 176.300 -0.272 0.000 1.305 81 M CA -0.201 55.021 55.300 -0.129 0.000 1.240 81 M CB 0.655 33.246 32.600 -0.015 0.000 1.394 81 M HN 0.391 nan 8.290 nan 0.000 0.438 82 V N 7.547 127.215 119.914 -0.410 0.000 2.427 82 V HA 0.229 4.349 4.120 0.000 0.000 0.268 82 V C -1.816 174.122 176.094 -0.260 0.000 1.046 82 V CA -1.250 60.693 62.300 -0.594 0.000 0.970 82 V CB 0.685 32.058 31.823 -0.750 0.000 1.001 82 V HN 0.555 nan 8.190 nan 0.000 0.476 83 P HA 0.251 nan 4.420 nan 0.000 0.276 83 P C -0.460 176.852 177.300 0.020 0.000 1.235 83 P CA -0.320 62.762 63.100 -0.030 0.000 0.772 83 P CB 0.880 32.594 31.700 0.022 0.000 0.871 84 M N 3.051 122.674 119.600 0.039 0.000 2.245 84 M HA 0.248 4.728 4.480 0.000 0.000 0.292 84 M C 2.131 178.476 176.300 0.075 0.000 1.176 84 M CA -0.570 54.773 55.300 0.072 0.000 1.035 84 M CB 0.289 32.931 32.600 0.070 0.000 1.440 84 M HN 0.401 nan 8.290 nan 0.000 0.494 85 R N 0.686 121.234 120.500 0.080 0.000 2.200 85 R HA -0.158 4.182 4.340 0.000 0.000 0.234 85 R C 0.445 176.768 176.300 0.039 0.000 1.127 85 R CA 1.880 58.014 56.100 0.057 0.000 0.989 85 R CB -0.593 29.726 30.300 0.031 0.000 0.869 85 R HN 0.677 nan 8.270 nan 0.000 0.459 86 D N -0.865 119.560 120.400 0.040 0.000 2.349 86 D HA 0.103 4.743 4.640 0.000 0.000 0.214 86 D C 1.153 177.474 176.300 0.035 0.000 1.063 86 D CA 0.549 54.570 54.000 0.034 0.000 0.847 86 D CB 0.526 41.347 40.800 0.035 0.000 0.933 86 D HN 0.417 nan 8.370 nan 0.000 0.513 87 G N -0.126 108.697 108.800 0.039 0.000 2.213 87 G HA2 -0.271 3.689 3.960 0.000 0.000 0.236 87 G HA3 -0.271 3.689 3.960 0.000 0.000 0.236 87 G C 0.227 175.148 174.900 0.034 0.000 0.991 87 G CA 0.099 45.221 45.100 0.036 0.000 0.629 87 G HN 0.361 nan 8.290 nan 0.000 0.517 88 V N 2.036 121.973 119.914 0.038 0.000 2.585 88 V HA 0.329 4.449 4.120 0.000 0.000 0.296 88 V C 0.772 176.884 176.094 0.030 0.000 1.035 88 V CA 0.477 62.800 62.300 0.039 0.000 1.084 88 V CB 1.227 33.080 31.823 0.050 0.000 0.953 88 V HN 0.345 nan 8.190 nan 0.000 0.483 89 K N 5.665 126.080 120.400 0.024 0.000 2.159 89 K HA 0.640 4.960 4.320 0.000 0.000 0.266 89 K C -0.996 175.615 176.600 0.019 0.000 0.975 89 K CA -0.502 55.786 56.287 0.003 0.000 0.865 89 K CB 1.511 34.010 32.500 -0.002 0.000 1.087 89 K HN 0.497 nan 8.250 nan 0.000 0.446 90 L N 3.283 124.501 121.223 -0.009 0.000 2.322 90 L HA 0.329 4.669 4.340 0.000 0.000 0.281 90 L C -0.476 176.409 176.870 0.024 0.000 1.014 90 L CA -1.189 53.668 54.840 0.029 0.000 0.815 90 L CB 0.711 42.783 42.059 0.022 0.000 1.247 90 L HN 0.574 nan 8.230 nan 0.000 0.421 91 Y N 2.729 123.015 120.300 -0.023 0.000 2.569 91 Y HA 0.132 4.682 4.550 0.000 0.000 0.332 91 Y C -0.147 175.740 175.900 -0.021 0.000 1.120 91 Y CA 0.219 58.306 58.100 -0.022 0.000 1.416 91 Y CB 0.567 39.035 38.460 0.014 0.000 1.210 91 Y HN 0.481 nan 8.280 nan 0.000 0.528 92 T N 6.611 120.839 114.554 -0.543 0.000 2.841 92 T HA 0.456 4.806 4.350 0.000 0.000 0.285 92 T C -1.084 173.327 174.700 -0.482 0.000 0.991 92 T CA -0.703 61.156 62.100 -0.401 0.000 0.966 92 T CB 1.004 69.692 68.868 -0.299 0.000 0.962 92 T HN 0.382 nan 8.240 nan 0.000 0.438 93 V N 4.888 124.633 119.914 -0.281 0.000 2.370 93 V HA 0.508 4.628 4.120 0.000 0.000 0.279 93 V C -0.185 175.903 176.094 -0.010 0.000 1.029 93 V CA -0.763 61.450 62.300 -0.146 0.000 0.870 93 V CB 0.938 32.750 31.823 -0.017 0.000 0.984 93 V HN 0.799 nan 8.190 nan 0.000 0.451 94 I N 5.242 125.818 120.570 0.010 0.000 2.382 94 I HA 0.385 4.555 4.170 0.000 0.000 0.285 94 I C -0.480 175.686 176.117 0.081 0.000 1.007 94 I CA -0.658 60.675 61.300 0.054 0.000 1.142 94 I CB 1.837 39.883 38.000 0.076 0.000 1.289 94 I HN 0.293 nan 8.210 nan 0.000 0.453 95 V N 7.690 127.654 119.914 0.083 0.000 2.318 95 V HA 0.405 4.525 4.120 0.000 0.000 0.271 95 V C 0.115 176.269 176.094 0.100 0.000 1.030 95 V CA -0.302 62.057 62.300 0.098 0.000 0.844 95 V CB 0.865 32.704 31.823 0.026 0.000 1.015 95 V HN 0.485 nan 8.190 nan 0.000 0.460 96 I N 7.502 128.153 120.570 0.135 0.000 2.378 96 I HA 0.413 4.583 4.170 0.000 0.000 0.291 96 I C -2.377 173.823 176.117 0.138 0.000 0.992 96 I CA -2.220 59.145 61.300 0.107 0.000 1.154 96 I CB 2.168 40.214 38.000 0.077 0.000 1.315 96 I HN 0.389 nan 8.210 nan 0.000 0.448 97 P HA 0.048 nan 4.420 nan 0.000 0.268 97 P C -0.684 176.666 177.300 0.083 0.000 1.205 97 P CA -0.422 62.748 63.100 0.116 0.000 0.771 97 P CB 0.512 32.262 31.700 0.083 0.000 0.858 98 K N 3.010 123.457 120.400 0.077 0.000 2.448 98 K HA 0.007 4.327 4.320 0.000 0.000 0.278 98 K C 0.539 177.155 176.600 0.026 0.000 1.009 98 K CA 0.285 56.594 56.287 0.038 0.000 0.995 98 K CB -0.313 32.200 32.500 0.021 0.000 0.917 98 K HN 0.436 nan 8.250 nan 0.000 0.481 99 N N -0.003 118.705 118.700 0.014 0.000 2.741 99 N HA -0.208 4.532 4.740 0.000 0.000 0.250 99 N C -1.057 174.454 175.510 0.003 0.000 1.115 99 N CA 1.090 54.143 53.050 0.006 0.000 0.724 99 N CB -1.549 36.941 38.487 0.004 0.000 1.090 99 N HN 0.607 nan 8.380 nan 0.000 0.558 100 A N 1.136 123.960 122.820 0.007 0.000 2.450 100 A HA 0.474 4.794 4.320 0.000 0.000 0.255 100 A C 0.836 178.410 177.584 -0.017 0.000 1.096 100 A CA -0.067 51.968 52.037 -0.003 0.000 0.778 100 A CB 0.483 19.486 19.000 0.005 0.000 1.031 100 A HN 0.319 nan 8.150 nan 0.000 0.494 101 R N 2.803 123.285 120.500 -0.030 0.000 2.538 101 R HA 0.418 4.758 4.340 0.000 0.000 0.292 101 R C -0.844 175.424 176.300 -0.055 0.000 1.008 101 R CA -0.952 55.125 56.100 -0.038 0.000 0.896 101 R CB 0.769 31.049 30.300 -0.032 0.000 1.187 101 R HN 0.699 nan 8.270 nan 0.000 0.440 102 N N 0.142 118.803 118.700 -0.064 0.000 2.725 102 N HA -0.194 4.546 4.740 0.000 0.000 0.251 102 N C -0.864 174.583 175.510 -0.106 0.000 1.031 102 N CA 1.300 54.301 53.050 -0.081 0.000 0.720 102 N CB -0.548 37.895 38.487 -0.073 0.000 0.930 102 N HN 0.828 nan 8.380 nan 0.000 0.543 103 A N 0.643 123.397 122.820 -0.110 0.000 2.310 103 A HA 0.635 4.955 4.320 0.000 0.000 0.299 103 A C -1.892 175.572 177.584 -0.200 0.000 1.147 103 A CA -1.186 50.757 52.037 -0.157 0.000 0.818 103 A CB 0.934 19.868 19.000 -0.110 0.000 1.096 103 A HN 0.030 nan 8.150 nan 0.000 0.495 104 P HA 0.340 nan 4.420 nan 0.000 0.274 104 P C -0.789 176.391 177.300 -0.200 0.000 1.237 104 P CA 0.066 62.968 63.100 -0.329 0.000 0.793 104 P CB 0.733 32.082 31.700 -0.584 0.000 0.977 105 I N 1.474 121.999 120.570 -0.075 0.000 2.404 105 I HA 0.274 4.444 4.170 0.000 0.000 0.293 105 I C 0.034 176.186 176.117 0.058 0.000 0.992 105 I CA -0.980 60.319 61.300 -0.001 0.000 1.149 105 I CB 1.621 39.596 38.000 -0.042 0.000 1.315 105 I HN 0.150 nan 8.210 nan 0.000 0.446 106 L N 7.804 129.054 121.223 0.045 0.000 2.280 106 L HA 0.538 4.878 4.340 0.000 0.000 0.287 106 L C -1.029 175.737 176.870 -0.173 0.000 1.023 106 L CA -0.363 54.421 54.840 -0.093 0.000 0.819 106 L CB 1.276 43.130 42.059 -0.341 0.000 1.212 106 L HN 0.487 nan 8.230 nan 0.000 0.420 107 L N 4.711 125.844 121.223 -0.149 0.000 2.334 107 L HA 0.800 5.140 4.340 0.000 0.000 0.276 107 L C -0.664 176.076 176.870 -0.216 0.000 1.014 107 L CA 0.381 55.113 54.840 -0.180 0.000 0.815 107 L CB 2.160 44.160 42.059 -0.098 0.000 1.268 107 L HN 0.640 nan 8.230 nan 0.000 0.428 108 T N 4.595 118.960 114.554 -0.316 0.000 2.921 108 T HA 0.543 4.893 4.350 0.000 0.000 0.297 108 T C -0.831 173.834 174.700 -0.058 0.000 1.013 108 T CA -0.610 61.348 62.100 -0.238 0.000 0.990 108 T CB 1.238 69.811 68.868 -0.492 0.000 1.023 108 T HN 0.568 nan 8.240 nan 0.000 0.447 109 R N 1.703 122.248 120.500 0.076 0.000 2.295 109 R HA 0.726 5.066 4.340 0.000 0.000 0.324 109 R C -0.357 176.080 176.300 0.228 0.000 0.968 109 R CA -0.780 55.409 56.100 0.148 0.000 0.837 109 R CB 1.771 32.155 30.300 0.141 0.000 1.133 109 R HN 0.522 nan 8.270 nan 0.000 0.450 110 T N 2.074 116.759 114.554 0.217 0.000 2.903 110 T HA 0.435 4.785 4.350 0.000 0.000 0.299 110 T C -2.336 172.345 174.700 -0.032 0.000 1.093 110 T CA -2.117 60.080 62.100 0.161 0.000 1.002 110 T CB 1.884 70.920 68.868 0.280 0.000 1.127 110 T HN 0.350 nan 8.240 nan 0.000 0.488 111 P HA 0.244 nan 4.420 nan 0.000 0.266 111 P C -0.504 176.528 177.300 -0.447 0.000 1.381 111 P CA -0.057 62.719 63.100 -0.539 0.000 0.940 111 P CB -0.119 30.931 31.700 -1.084 0.000 1.435 112 Y N 0.341 120.632 120.300 -0.015 0.000 2.781 112 Y HA 0.349 4.899 4.550 0.000 0.000 0.326 112 Y C 0.475 176.169 175.900 -0.343 0.000 1.019 112 Y CA -1.498 56.552 58.100 -0.084 0.000 1.372 112 Y CB -1.026 37.440 38.460 0.010 0.000 1.260 112 Y HN -0.055 nan 8.280 nan 0.000 0.546 113 N N 0.536 118.909 118.700 -0.545 0.000 2.471 113 N HA -0.212 4.528 4.740 0.000 0.000 0.286 113 N C 0.809 176.148 175.510 -0.284 0.000 1.327 113 N CA 0.504 53.076 53.050 -0.797 0.000 0.657 113 N CB -0.502 37.266 38.487 -1.198 0.000 0.901 113 N HN 0.522 nan 8.380 nan 0.000 0.531 114 A N 3.759 126.541 122.820 -0.064 0.000 1.948 114 A HA -0.230 4.090 4.320 0.000 0.000 0.220 114 A C 1.998 179.588 177.584 0.011 0.000 1.177 114 A CA 2.055 54.123 52.037 0.052 0.000 0.636 114 A CB -0.366 18.778 19.000 0.240 0.000 0.815 114 A HN 0.750 nan 8.150 nan 0.000 0.449 115 K N -0.825 119.639 120.400 0.107 0.000 2.103 115 K HA -0.129 4.191 4.320 0.000 0.000 0.207 115 K C 1.979 178.550 176.600 -0.048 0.000 1.048 115 K CA 1.461 57.811 56.287 0.106 0.000 0.930 115 K CB -0.457 32.096 32.500 0.088 0.000 0.716 115 K HN 0.423 nan 8.250 nan 0.000 0.444 116 G N 0.674 109.392 108.800 -0.136 0.000 2.408 116 G HA2 -0.161 3.800 3.960 0.000 0.000 0.215 116 G HA3 -0.161 3.800 3.960 0.000 0.000 0.215 116 G C 1.421 176.191 174.900 -0.216 0.000 1.156 116 G CA -0.040 44.967 45.100 -0.154 0.000 0.793 116 G HN 0.146 nan 8.290 nan 0.000 0.535 117 R N 0.965 121.259 120.500 -0.344 0.000 2.096 117 R HA 0.012 4.352 4.340 0.000 0.000 0.235 117 R C 2.324 178.220 176.300 -0.673 0.000 1.127 117 R CA 1.123 56.855 56.100 -0.613 0.000 0.968 117 R CB -0.751 28.899 30.300 -1.083 0.000 0.861 117 R HN 0.329 nan 8.270 nan 0.000 0.440 118 A N 0.816 123.344 122.820 -0.486 0.000 2.411 118 A HA 0.104 4.424 4.320 0.000 0.000 0.251 118 A C 0.290 177.797 177.584 -0.128 0.000 1.317 118 A CA -0.065 51.835 52.037 -0.228 0.000 0.904 118 A CB -0.055 18.922 19.000 -0.038 0.000 0.993 118 A HN 0.083 nan 8.150 nan 0.000 0.504 119 N N 0.011 118.630 118.700 -0.135 0.000 2.622 119 N HA 0.102 4.842 4.740 0.000 0.000 0.304 119 N C 1.043 176.513 175.510 -0.067 0.000 1.844 119 N CA -0.260 52.747 53.050 -0.072 0.000 0.886 119 N CB 0.167 38.629 38.487 -0.041 0.000 1.366 119 N HN 0.418 nan 8.380 nan 0.000 0.491 120 R N -0.248 120.206 120.500 -0.076 0.000 2.112 120 R HA -0.052 4.288 4.340 0.000 0.000 0.242 120 R C -0.186 176.100 176.300 -0.023 0.000 1.137 120 R CA 1.357 57.429 56.100 -0.046 0.000 0.944 120 R CB 0.043 30.322 30.300 -0.035 0.000 0.857 120 R HN -0.020 nan 8.270 nan 0.000 0.435 121 V N 4.294 124.197 119.914 -0.018 0.000 2.313 121 V HA 0.245 4.365 4.120 0.000 0.000 0.278 121 V C -2.223 173.875 176.094 0.008 0.000 1.017 121 V CA -1.827 60.472 62.300 -0.000 0.000 0.823 121 V CB 1.482 33.310 31.823 0.008 0.000 1.010 121 V HN 0.249 nan 8.190 nan 0.000 0.443 122 P HA -0.010 nan 4.420 nan 0.000 0.258 122 P C 0.228 177.555 177.300 0.044 0.000 1.172 122 P CA 0.563 63.675 63.100 0.019 0.000 0.762 122 P CB -0.080 31.628 31.700 0.013 0.000 0.764 123 N N -0.305 118.438 118.700 0.071 0.000 2.721 123 N HA -0.206 4.535 4.740 0.000 0.000 0.249 123 N C 0.273 175.861 175.510 0.130 0.000 1.072 123 N CA 0.424 53.541 53.050 0.111 0.000 0.710 123 N CB -1.420 37.106 38.487 0.065 0.000 0.993 123 N HN 0.635 nan 8.380 nan 0.000 0.547 124 A N -0.085 122.821 122.820 0.143 0.000 2.492 124 A HA 0.203 4.523 4.320 0.000 0.000 0.236 124 A C 1.425 179.144 177.584 0.225 0.000 1.078 124 A CA 0.022 52.142 52.037 0.138 0.000 0.773 124 A CB 0.282 19.335 19.000 0.089 0.000 1.023 124 A HN 0.366 nan 8.150 nan 0.000 0.504 125 L N 0.383 121.694 121.223 0.147 0.000 2.313 125 L HA 0.023 4.363 4.340 0.000 0.000 0.214 125 L C 1.376 178.372 176.870 0.210 0.000 1.119 125 L CA 1.366 56.280 54.840 0.123 0.000 0.809 125 L CB -0.692 41.401 42.059 0.056 0.000 0.933 125 L HN 0.932 nan 8.230 nan 0.000 0.449 126 T N -4.762 109.930 114.554 0.230 0.000 2.912 126 T HA 0.271 4.621 4.350 0.000 0.000 0.288 126 T C 0.629 175.415 174.700 0.142 0.000 1.030 126 T CA -0.683 61.549 62.100 0.220 0.000 1.020 126 T CB 2.374 71.303 68.868 0.102 0.000 1.056 126 T HN -0.020 nan 8.240 nan 0.000 0.480 127 M N 0.609 120.259 119.600 0.083 0.000 2.213 127 M HA -0.005 4.475 4.480 0.000 0.000 0.263 127 M C 2.360 178.581 176.300 -0.132 0.000 1.062 127 M CA 1.410 56.576 55.300 -0.224 0.000 1.105 127 M CB -0.210 32.343 32.600 -0.080 0.000 1.385 127 M HN 0.752 nan 8.290 nan 0.000 0.417 128 R N 0.694 121.173 120.500 -0.036 0.000 2.091 128 R HA -0.160 4.180 4.340 0.000 0.000 0.238 128 R C 1.565 177.845 176.300 -0.032 0.000 1.136 128 R CA 2.217 58.302 56.100 -0.025 0.000 0.959 128 R CB -0.335 29.963 30.300 -0.003 0.000 0.856 128 R HN 0.533 nan 8.270 nan 0.000 0.437 129 E N -1.024 119.161 120.200 -0.025 0.000 2.112 129 E HA -0.078 4.272 4.350 0.000 0.000 0.190 129 E C 1.904 178.477 176.600 -0.045 0.000 0.979 129 E CA 1.007 57.396 56.400 -0.018 0.000 0.814 129 E CB -0.096 29.609 29.700 0.009 0.000 0.762 129 E HN 0.092 nan 8.360 nan 0.000 0.460 130 V N 1.314 121.169 119.914 -0.099 0.000 2.515 130 V HA -0.088 4.032 4.120 0.000 0.000 0.250 130 V C 0.887 176.905 176.094 -0.128 0.000 1.058 130 V CA 1.009 63.222 62.300 -0.144 0.000 1.064 130 V CB -0.053 31.570 31.823 -0.333 0.000 0.675 130 V HN 0.094 nan 8.190 nan 0.000 0.461 131 L N 0.424 121.583 121.223 -0.107 0.000 2.360 131 L HA 0.414 4.754 4.340 0.000 0.000 0.271 131 L C -2.176 174.680 176.870 -0.023 0.000 1.057 131 L CA -2.005 52.811 54.840 -0.041 0.000 0.803 131 L CB 0.984 43.040 42.059 -0.006 0.000 1.207 131 L HN 0.003 nan 8.230 nan 0.000 0.445 132 P HA -0.051 nan 4.420 nan 0.000 0.270 132 P C 0.050 177.331 177.300 -0.032 0.000 1.227 132 P CA -0.126 62.966 63.100 -0.014 0.000 0.788 132 P CB 0.479 32.181 31.700 0.004 0.000 0.926 133 Q N 1.352 121.115 119.800 -0.062 0.000 2.135 133 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 133 Q C 1.958 177.894 176.000 -0.107 0.000 0.981 133 Q CA 2.229 57.988 55.803 -0.073 0.000 0.856 133 Q CB -1.019 27.687 28.738 -0.053 0.000 0.902 133 Q HN 0.683 nan 8.270 nan 0.000 0.425 134 G N -0.172 108.518 108.800 -0.184 0.000 2.559 134 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 134 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 134 G C 0.572 175.462 174.900 -0.017 0.000 1.126 134 G CA 0.785 45.805 45.100 -0.133 0.000 0.778 134 G HN 0.361 nan 8.290 nan 0.000 0.543 135 D N 0.680 121.082 120.400 0.004 0.000 2.339 135 D HA 0.026 4.666 4.640 0.000 0.000 0.217 135 D C 2.049 178.362 176.300 0.022 0.000 1.050 135 D CA 0.478 54.516 54.000 0.064 0.000 0.856 135 D CB 0.080 40.915 40.800 0.059 0.000 0.922 135 D HN 0.395 nan 8.370 nan 0.000 0.518 136 D N 0.917 121.298 120.400 -0.032 0.000 2.126 136 D HA -0.217 4.423 4.640 0.000 0.000 0.190 136 D C 2.031 178.262 176.300 -0.115 0.000 1.001 136 D CA 2.018 55.989 54.000 -0.049 0.000 0.841 136 D CB -0.945 39.842 40.800 -0.021 0.000 0.949 136 D HN 0.273 nan 8.370 nan 0.000 0.446 137 V N -2.592 117.164 119.914 -0.264 0.000 2.626 137 V HA -0.082 4.038 4.120 0.000 0.000 0.252 137 V C 2.337 178.075 176.094 -0.595 0.000 1.067 137 V CA 1.172 63.191 62.300 -0.469 0.000 1.081 137 V CB -1.223 30.169 31.823 -0.719 0.000 0.686 137 V HN 0.010 nan 8.190 nan 0.000 0.468 138 F N 0.108 119.842 119.950 -0.360 0.000 2.416 138 F HA 0.193 4.720 4.527 0.000 0.000 0.296 138 F C 2.324 178.050 175.800 -0.122 0.000 1.099 138 F CA 1.011 58.745 58.000 -0.442 0.000 1.427 138 F CB -0.501 38.096 39.000 -0.672 0.000 1.079 138 F HN -0.023 nan 8.300 nan 0.000 0.536 139 V N -0.049 119.896 119.914 0.052 0.000 2.379 139 V HA -0.229 3.891 4.120 0.000 0.000 0.245 139 V C 2.033 178.155 176.094 0.048 0.000 1.044 139 V CA 1.790 64.126 62.300 0.059 0.000 1.036 139 V CB -0.514 31.320 31.823 0.019 0.000 0.664 139 V HN 0.268 nan 8.190 nan 0.000 0.453 140 E N 0.346 120.544 120.200 -0.004 0.000 2.204 140 E HA -0.121 4.229 4.350 0.000 0.000 0.195 140 E C 2.102 178.714 176.600 0.019 0.000 0.990 140 E CA 1.067 57.462 56.400 -0.009 0.000 0.821 140 E CB -0.302 29.369 29.700 -0.049 0.000 0.750 140 E HN 0.630 nan 8.360 nan 0.000 0.477 141 G N -0.433 108.403 108.800 0.061 0.000 2.985 141 G HA2 0.162 4.122 3.960 0.000 0.000 0.209 141 G HA3 0.162 4.122 3.960 0.000 0.000 0.209 141 G C 0.972 176.005 174.900 0.222 0.000 1.165 141 G CA 0.117 45.318 45.100 0.168 0.000 0.776 141 G HN 0.354 nan 8.290 nan 0.000 0.541 142 G N -0.922 107.985 108.800 0.178 0.000 2.176 142 G HA2 -0.315 3.645 3.960 0.000 0.000 0.252 142 G HA3 -0.315 3.645 3.960 0.000 0.000 0.252 142 G C 0.123 175.100 174.900 0.129 0.000 1.024 142 G CA 0.020 45.191 45.100 0.118 0.000 0.755 142 G HN 0.374 nan 8.290 nan 0.000 0.507 143 Y N -0.732 119.598 120.300 0.050 0.000 2.314 143 Y HA 0.543 5.093 4.550 0.000 0.000 0.334 143 Y C 1.481 177.392 175.900 0.018 0.000 1.266 143 Y CA -0.501 57.627 58.100 0.046 0.000 1.391 143 Y CB 0.598 39.113 38.460 0.092 0.000 1.306 143 Y HN 0.179 nan 8.280 nan 0.000 0.558 144 I N 3.320 123.963 120.570 0.121 0.000 2.342 144 I HA 0.258 4.428 4.170 0.000 0.000 0.291 144 I C -0.169 175.988 176.117 0.067 0.000 1.010 144 I CA -0.662 60.680 61.300 0.071 0.000 1.308 144 I CB 1.003 39.015 38.000 0.021 0.000 1.400 144 I HN 0.381 nan 8.210 nan 0.000 0.488 145 R N 5.380 125.907 120.500 0.045 0.000 2.407 145 R HA 0.650 4.990 4.340 0.000 0.000 0.303 145 R C -1.560 174.734 176.300 -0.009 0.000 0.981 145 R CA -0.470 55.626 56.100 -0.006 0.000 0.905 145 R CB 1.318 31.633 30.300 0.025 0.000 1.099 145 R HN 0.383 nan 8.270 nan 0.000 0.459 146 V N 5.552 125.404 119.914 -0.104 0.000 2.577 146 V HA 0.508 4.628 4.120 0.000 0.000 0.303 146 V C -1.038 174.936 176.094 -0.201 0.000 1.042 146 V CA -0.610 61.645 62.300 -0.075 0.000 0.872 146 V CB 1.524 33.315 31.823 -0.054 0.000 0.998 146 V HN 0.622 nan 8.190 nan 0.000 0.423 147 F N 3.152 123.090 119.950 -0.020 0.000 2.507 147 F HA 0.614 5.141 4.527 0.000 0.000 0.325 147 F C 0.105 175.896 175.800 -0.015 0.000 1.116 147 F CA -0.240 57.759 58.000 -0.002 0.000 0.930 147 F CB 1.975 40.981 39.000 0.009 0.000 1.146 147 F HN 0.416 nan 8.300 nan 0.000 0.447 148 Q N 3.221 123.132 119.800 0.185 0.000 2.337 148 Q HA 0.269 4.609 4.340 0.000 0.000 0.270 148 Q C -1.622 174.477 176.000 0.166 0.000 1.043 148 Q CA -0.986 54.887 55.803 0.117 0.000 0.794 148 Q CB 1.826 30.591 28.738 0.045 0.000 1.281 148 Q HN 0.492 nan 8.270 nan 0.000 0.446 149 D N 4.271 124.783 120.400 0.187 0.000 2.383 149 D HA 0.174 4.814 4.640 0.000 0.000 0.252 149 D C 0.519 176.906 176.300 0.145 0.000 1.166 149 D CA 0.080 54.187 54.000 0.177 0.000 0.879 149 D CB 0.510 41.446 40.800 0.226 0.000 1.164 149 D HN 0.540 nan 8.370 nan 0.000 0.462 150 I N -0.912 119.738 120.570 0.134 0.000 3.060 150 I HA 0.169 4.340 4.170 0.000 0.000 0.285 150 I C 0.877 177.091 176.117 0.161 0.000 1.190 150 I CA -0.844 60.555 61.300 0.166 0.000 1.363 150 I CB 0.610 38.748 38.000 0.232 0.000 1.396 150 I HN 0.167 nan 8.210 nan 0.000 0.607 151 R N 2.850 123.463 120.500 0.187 0.000 2.494 151 R HA 0.107 4.447 4.340 0.000 0.000 0.291 151 R C 0.999 177.428 176.300 0.216 0.000 0.953 151 R CA 1.272 57.478 56.100 0.176 0.000 1.098 151 R CB -0.356 30.049 30.300 0.175 0.000 0.911 151 R HN 1.162 nan 8.270 nan 0.000 0.407 152 G N 3.000 111.888 108.800 0.145 0.000 2.176 152 G HA2 -0.221 3.739 3.960 0.000 0.000 0.253 152 G HA3 -0.221 3.739 3.960 0.000 0.000 0.253 152 G C -0.415 174.478 174.900 -0.012 0.000 0.979 152 G CA 0.208 45.386 45.100 0.131 0.000 0.641 152 G HN 0.525 nan 8.290 nan 0.000 0.530 153 K N -0.621 119.748 120.400 -0.052 0.000 2.324 153 K HA 0.657 4.977 4.320 0.000 0.000 0.253 153 K C 0.874 177.482 176.600 0.014 0.000 0.932 153 K CA -0.837 55.356 56.287 -0.157 0.000 0.799 153 K CB 1.509 33.877 32.500 -0.220 0.000 1.154 153 K HN 0.178 nan 8.250 nan 0.000 0.425 154 Y N 0.358 120.581 120.300 -0.129 0.000 2.796 154 Y HA -0.455 4.095 4.550 0.000 0.000 0.472 154 Y C 1.813 177.638 175.900 -0.125 0.000 1.126 154 Y CA 2.187 60.217 58.100 -0.117 0.000 2.780 154 Y CB -1.490 36.904 38.460 -0.109 0.000 1.152 154 Y HN 0.795 nan 8.280 nan 0.000 0.616 155 G N -0.139 108.679 108.800 0.029 0.000 2.744 155 G HA2 0.185 4.145 3.960 0.000 0.000 0.211 155 G HA3 0.185 4.145 3.960 0.000 0.000 0.211 155 G C 0.256 175.182 174.900 0.042 0.000 1.143 155 G CA 0.787 45.809 45.100 -0.129 0.000 0.788 155 G HN 0.296 nan 8.290 nan 0.000 0.534 156 S N 0.111 115.867 115.700 0.093 0.000 2.610 156 S HA 0.403 4.873 4.470 0.000 0.000 0.273 156 S C 0.252 174.885 174.600 0.056 0.000 1.274 156 S CA -0.534 57.724 58.200 0.097 0.000 1.023 156 S CB 1.548 64.816 63.200 0.113 0.000 0.962 156 S HN 0.438 nan 8.310 nan 0.000 0.523 157 Q N 0.300 120.133 119.800 0.056 0.000 2.189 157 Q HA 0.656 4.996 4.340 0.000 0.000 0.193 157 Q C 0.630 176.665 176.000 0.058 0.000 1.034 157 Q CA -0.349 55.481 55.803 0.044 0.000 1.062 157 Q CB 0.452 29.213 28.738 0.038 0.000 1.118 157 Q HN 0.970 nan 8.270 nan 0.000 0.569 158 G N 0.447 109.279 108.800 0.053 0.000 2.757 158 G HA2 -0.148 3.812 3.960 0.000 0.000 0.638 158 G HA3 -0.148 3.812 3.960 0.000 0.000 0.638 158 G C -1.500 173.448 174.900 0.080 0.000 1.344 158 G CA -0.748 44.392 45.100 0.067 0.000 0.855 158 G HN 0.556 nan 8.290 nan 0.000 0.537 159 D N -0.355 120.098 120.400 0.088 0.000 2.210 159 D HA 0.459 5.099 4.640 0.000 0.000 0.249 159 D C -0.214 176.181 176.300 0.159 0.000 1.062 159 D CA 0.146 54.206 54.000 0.099 0.000 0.891 159 D CB 1.432 42.272 40.800 0.066 0.000 1.186 159 D HN 0.492 nan 8.370 nan 0.000 0.432 160 Y N 1.443 121.763 120.300 0.033 0.000 2.326 160 Y HA 0.393 4.943 4.550 0.000 0.000 0.337 160 Y C -0.939 174.998 175.900 0.061 0.000 1.023 160 Y CA -0.529 57.598 58.100 0.045 0.000 1.143 160 Y CB 0.870 39.338 38.460 0.013 0.000 1.183 160 Y HN 0.046 nan 8.280 nan 0.000 0.485 161 V N 8.222 127.788 119.914 -0.581 0.000 2.444 161 V HA 0.177 4.297 4.120 0.000 0.000 0.294 161 V C -0.107 175.532 176.094 -0.759 0.000 1.022 161 V CA -1.022 60.985 62.300 -0.489 0.000 0.850 161 V CB 1.302 33.046 31.823 -0.131 0.000 0.992 161 V HN 0.891 nan 8.190 nan 0.000 0.426 162 M N 5.748 124.917 119.600 -0.719 0.000 2.290 162 M HA 0.120 4.600 4.480 0.000 0.000 0.356 162 M C 1.018 177.168 176.300 -0.250 0.000 1.448 162 M CA 1.040 56.014 55.300 -0.543 0.000 0.993 162 M CB -0.495 31.494 32.600 -1.018 0.000 1.934 162 M HN 1.188 nan 8.290 nan 0.000 0.461 163 T N 2.545 117.048 114.554 -0.085 0.000 3.473 163 T HA -0.264 4.086 4.350 0.000 0.000 0.403 163 T C 0.162 174.890 174.700 0.047 0.000 0.768 163 T CA 0.989 62.873 62.100 -0.360 0.000 2.009 163 T CB -1.610 66.977 68.868 -0.468 0.000 1.715 163 T HN 0.987 nan 8.240 nan 0.000 0.666 164 R N 1.567 122.170 120.500 0.172 0.000 2.526 164 R HA 0.108 4.448 4.340 0.000 0.000 0.319 164 R C -2.004 174.445 176.300 0.249 0.000 0.888 164 R CA -0.865 55.342 56.100 0.179 0.000 1.127 164 R CB 0.164 30.574 30.300 0.184 0.000 0.888 164 R HN 0.359 nan 8.270 nan 0.000 0.410 165 P HA 0.088 nan 4.420 nan 0.000 0.269 165 P C -2.450 174.916 177.300 0.110 0.000 1.215 165 P CA -1.024 62.140 63.100 0.107 0.000 0.780 165 P CB 0.308 32.007 31.700 -0.003 0.000 0.898 166 P HA 0.058 nan 4.420 nan 0.000 0.272 166 P C -0.499 176.856 177.300 0.090 0.000 1.240 166 P CA -0.080 63.078 63.100 0.098 0.000 0.791 166 P CB 0.101 31.851 31.700 0.083 0.000 0.978 167 H N -0.103 118.985 119.070 0.029 0.000 3.094 167 H HA 0.380 4.936 4.556 0.000 0.000 0.320 167 H C 0.769 176.103 175.328 0.010 0.000 1.000 167 H CA 2.237 58.295 56.048 0.017 0.000 1.413 167 H CB -0.530 29.238 29.762 0.010 0.000 1.405 167 H HN 0.677 nan 8.280 nan 0.000 0.586 168 G N 3.831 112.315 108.800 -0.526 0.000 2.368 168 G HA2 -0.064 3.896 3.960 0.000 0.000 0.269 168 G HA3 -0.064 3.896 3.960 0.000 0.000 0.269 168 G C -2.109 172.635 174.900 -0.260 0.000 1.291 168 G CA -0.351 44.540 45.100 -0.347 0.000 0.903 168 G HN 0.456 nan 8.290 nan 0.000 0.483 169 P HA 0.035 nan 4.420 nan 0.000 0.221 169 P C 1.515 178.762 177.300 -0.088 0.000 1.145 169 P CA 1.003 64.038 63.100 -0.108 0.000 0.795 169 P CB 0.134 31.784 31.700 -0.084 0.000 0.775 170 L N -2.027 119.140 121.223 -0.093 0.000 2.607 170 L HA 0.245 4.585 4.340 0.000 0.000 0.228 170 L C 0.707 177.555 176.870 -0.037 0.000 1.123 170 L CA 0.146 54.950 54.840 -0.061 0.000 0.890 170 L CB -0.288 41.708 42.059 -0.105 0.000 1.103 170 L HN -0.037 nan 8.230 nan 0.000 0.468 171 N N 0.312 118.973 118.700 -0.066 0.000 2.827 171 N HA 0.155 4.895 4.740 0.000 0.000 0.240 171 N C -2.432 173.030 175.510 -0.080 0.000 1.352 171 N CA -1.084 51.950 53.050 -0.028 0.000 0.760 171 N CB 1.471 39.973 38.487 0.025 0.000 1.426 171 N HN -0.245 nan 8.380 nan 0.000 0.561 172 P HA 0.078 nan 4.420 nan 0.000 0.257 172 P C 0.482 177.848 177.300 0.109 0.000 1.281 172 P CA 0.218 63.298 63.100 -0.034 0.000 0.826 172 P CB -0.042 31.645 31.700 -0.022 0.000 1.237 173 T N -2.066 112.564 114.554 0.127 0.000 2.732 173 T HA 0.225 4.575 4.350 0.000 0.000 0.287 173 T C 1.149 175.945 174.700 0.161 0.000 0.993 173 T CA -0.276 61.898 62.100 0.123 0.000 0.966 173 T CB 0.912 69.832 68.868 0.087 0.000 1.047 173 T HN -0.118 nan 8.240 nan 0.000 0.527 174 K N 0.188 120.630 120.400 0.071 0.000 2.426 174 K HA 0.146 4.466 4.320 0.000 0.000 0.193 174 K C 0.775 177.370 176.600 -0.009 0.000 1.028 174 K CA 0.291 56.576 56.287 -0.004 0.000 1.047 174 K CB 0.158 32.647 32.500 -0.018 0.000 0.821 174 K HN 0.849 nan 8.250 nan 0.000 0.513 175 T N -0.668 113.915 114.554 0.049 0.000 2.916 175 T HA 0.484 4.834 4.350 0.000 0.000 0.292 175 T C -1.017 173.740 174.700 0.095 0.000 1.055 175 T CA -0.975 61.159 62.100 0.057 0.000 1.009 175 T CB 2.290 71.196 68.868 0.064 0.000 1.118 175 T HN 0.063 nan 8.240 nan 0.000 0.497 176 D N -0.497 119.963 120.400 0.098 0.000 2.779 176 D HA 0.256 4.896 4.640 0.000 0.000 0.331 176 D C 0.535 176.910 176.300 0.124 0.000 1.331 176 D CA -0.674 53.398 54.000 0.120 0.000 0.866 176 D CB 0.114 40.990 40.800 0.126 0.000 1.409 176 D HN 0.351 nan 8.370 nan 0.000 0.486 177 E N -0.479 119.800 120.200 0.132 0.000 2.265 177 E HA -0.059 4.291 4.350 0.000 0.000 0.196 177 E C 1.435 178.089 176.600 0.089 0.000 0.996 177 E CA 1.274 57.747 56.400 0.121 0.000 0.832 177 E CB -0.363 29.395 29.700 0.097 0.000 0.756 177 E HN 0.568 nan 8.360 nan 0.000 0.491 178 T N 0.556 115.160 114.554 0.083 0.000 2.732 178 T HA -0.112 4.238 4.350 0.000 0.000 0.261 178 T C 2.115 176.912 174.700 0.162 0.000 1.040 178 T CA 2.066 64.228 62.100 0.103 0.000 1.145 178 T CB -0.375 68.544 68.868 0.086 0.000 0.866 178 T HN 0.416 nan 8.240 nan 0.000 0.427 179 T N 0.540 115.169 114.554 0.125 0.000 2.867 179 T HA -0.109 4.241 4.350 0.000 0.000 0.268 179 T C 1.536 176.357 174.700 0.202 0.000 1.057 179 T CA 1.176 63.357 62.100 0.136 0.000 1.136 179 T CB -0.435 68.453 68.868 0.033 0.000 0.874 179 T HN 0.118 nan 8.240 nan 0.000 0.466 180 D N 1.917 122.414 120.400 0.161 0.000 2.117 180 D HA 0.100 4.740 4.640 0.000 0.000 0.198 180 D C 2.440 178.838 176.300 0.162 0.000 0.982 180 D CA 1.408 55.499 54.000 0.152 0.000 0.828 180 D CB -0.598 40.284 40.800 0.136 0.000 0.967 180 D HN 0.572 nan 8.370 nan 0.000 0.464 181 A N -0.312 122.607 122.820 0.164 0.000 1.930 181 A HA -0.126 4.194 4.320 0.000 0.000 0.217 181 A C 2.173 179.856 177.584 0.165 0.000 1.175 181 A CA 1.023 53.139 52.037 0.132 0.000 0.627 181 A CB -1.142 17.922 19.000 0.106 0.000 0.815 181 A HN 0.368 nan 8.150 nan 0.000 0.443 182 W N 1.182 122.527 121.300 0.074 0.000 2.333 182 W HA -0.191 4.469 4.660 0.000 0.000 0.316 182 W C 1.469 178.055 176.519 0.112 0.000 1.215 182 W CA 1.926 59.344 57.345 0.121 0.000 1.278 182 W CB 0.033 29.569 29.460 0.126 0.000 1.154 182 W HN 0.366 nan 8.180 nan 0.000 0.486 183 D N -0.956 119.756 120.400 0.519 0.000 2.178 183 D HA -0.157 4.484 4.640 0.000 0.000 0.201 183 D C 2.102 178.524 176.300 0.204 0.000 0.980 183 D CA 1.950 56.188 54.000 0.395 0.000 0.842 183 D CB -0.746 40.227 40.800 0.289 0.000 0.948 183 D HN 0.157 nan 8.370 nan 0.000 0.472 184 T N 0.369 114.997 114.554 0.124 0.000 2.737 184 T HA -0.070 4.280 4.350 0.000 0.000 0.265 184 T C 2.275 176.988 174.700 0.021 0.000 1.038 184 T CA 0.660 62.801 62.100 0.069 0.000 1.144 184 T CB -0.261 68.629 68.868 0.036 0.000 0.866 184 T HN -0.037 nan 8.240 nan 0.000 0.434 185 V N 1.752 121.587 119.914 -0.132 0.000 2.343 185 V HA -0.194 3.926 4.120 0.000 0.000 0.247 185 V C 2.332 178.114 176.094 -0.520 0.000 1.051 185 V CA 2.012 64.115 62.300 -0.330 0.000 1.036 185 V CB -0.637 30.912 31.823 -0.458 0.000 0.654 185 V HN 0.489 nan 8.190 nan 0.000 0.451 186 D N -1.437 118.585 120.400 -0.631 0.000 2.117 186 D HA -0.258 4.382 4.640 0.000 0.000 0.197 186 D C 1.874 178.210 176.300 0.060 0.000 0.987 186 D CA 1.573 55.327 54.000 -0.411 0.000 0.829 186 D CB -0.197 40.536 40.800 -0.112 0.000 0.961 186 D HN 0.566 nan 8.370 nan 0.000 0.460 187 W N 0.519 121.790 121.300 -0.048 0.000 2.381 187 W HA -0.047 4.613 4.660 0.000 0.000 0.301 187 W C 1.866 178.375 176.519 -0.015 0.000 1.205 187 W CA 1.002 58.356 57.345 0.016 0.000 1.285 187 W CB -0.221 29.245 29.460 0.010 0.000 1.133 187 W HN -0.001 nan 8.180 nan 0.000 0.521 188 L N 0.304 121.670 121.223 0.238 0.000 2.017 188 L HA -0.237 4.103 4.340 0.000 0.000 0.208 188 L C 2.480 179.254 176.870 -0.160 0.000 1.073 188 L CA 1.707 56.599 54.840 0.088 0.000 0.745 188 L CB -1.382 40.722 42.059 0.074 0.000 0.894 188 L HN 0.060 nan 8.230 nan 0.000 0.432 189 V N -4.204 115.570 119.914 -0.233 0.000 3.141 189 V HA -0.182 3.938 4.120 0.000 0.000 0.265 189 V C 1.449 177.263 176.094 -0.466 0.000 1.126 189 V CA 1.420 63.515 62.300 -0.343 0.000 1.141 189 V CB -0.959 30.626 31.823 -0.397 0.000 0.743 189 V HN 0.486 nan 8.190 nan 0.000 0.492 190 H N -0.220 118.685 119.070 -0.275 0.000 2.827 190 H HA 0.398 4.954 4.556 0.000 0.000 0.269 190 H C 1.239 176.310 175.328 -0.428 0.000 1.031 190 H CA 0.472 56.346 56.048 -0.291 0.000 1.202 190 H CB 0.434 30.046 29.762 -0.249 0.000 1.511 190 H HN 0.403 nan 8.280 nan 0.000 0.517 191 N N 0.299 118.681 118.700 -0.530 0.000 2.160 191 N HA 0.111 4.851 4.740 0.000 0.000 0.226 191 N C -0.860 174.395 175.510 -0.424 0.000 1.256 191 N CA 0.293 52.926 53.050 -0.695 0.000 0.890 191 N CB 2.554 40.055 38.487 -1.643 0.000 1.116 191 N HN -0.059 nan 8.380 nan 0.000 0.517 192 V N 2.676 122.430 119.914 -0.267 0.000 2.276 192 V HA 0.250 4.370 4.120 0.000 0.000 0.268 192 V C -1.757 174.271 176.094 -0.111 0.000 1.032 192 V CA -1.153 61.068 62.300 -0.131 0.000 0.810 192 V CB 1.833 33.615 31.823 -0.069 0.000 1.060 192 V HN -0.129 nan 8.190 nan 0.000 0.446 193 P HA -0.097 nan 4.420 nan 0.000 0.219 193 P C 1.127 178.389 177.300 -0.062 0.000 1.146 193 P CA 0.970 64.025 63.100 -0.076 0.000 0.808 193 P CB 0.441 32.106 31.700 -0.057 0.000 0.779 194 E N -0.483 119.687 120.200 -0.049 0.000 2.427 194 E HA -0.022 4.328 4.350 0.000 0.000 0.196 194 E C 0.951 177.517 176.600 -0.056 0.000 1.028 194 E CA 0.255 56.631 56.400 -0.041 0.000 0.864 194 E CB -0.372 29.316 29.700 -0.020 0.000 0.813 194 E HN 0.297 nan 8.360 nan 0.000 0.514 195 S N 0.893 116.550 115.700 -0.072 0.000 2.672 195 S HA 0.146 4.616 4.470 0.000 0.000 0.276 195 S C 0.790 175.328 174.600 -0.103 0.000 1.207 195 S CA -0.636 57.510 58.200 -0.090 0.000 1.002 195 S CB 0.918 64.061 63.200 -0.095 0.000 0.998 195 S HN 0.168 nan 8.310 nan 0.000 0.542 196 N N -0.005 118.626 118.700 -0.116 0.000 2.270 196 N HA 0.206 4.946 4.740 0.000 0.000 0.198 196 N C 1.139 176.576 175.510 -0.121 0.000 1.117 196 N CA 0.399 53.381 53.050 -0.113 0.000 0.845 196 N CB -0.315 38.103 38.487 -0.115 0.000 0.980 196 N HN 1.365 nan 8.380 nan 0.000 0.486 197 G N 0.266 108.983 108.800 -0.138 0.000 2.143 197 G HA2 -0.305 3.655 3.960 0.000 0.000 0.249 197 G HA3 -0.305 3.655 3.960 0.000 0.000 0.249 197 G C -0.319 174.495 174.900 -0.142 0.000 0.981 197 G CA -0.038 44.966 45.100 -0.160 0.000 0.665 197 G HN 0.486 nan 8.290 nan 0.000 0.528 198 R N -0.353 120.070 120.500 -0.128 0.000 2.387 198 R HA 0.610 4.950 4.340 0.000 0.000 0.314 198 R C -0.625 175.607 176.300 -0.115 0.000 0.958 198 R CA -0.685 55.345 56.100 -0.117 0.000 0.846 198 R CB 2.439 32.674 30.300 -0.108 0.000 1.147 198 R HN 0.084 nan 8.270 nan 0.000 0.447 199 V N 1.724 121.568 119.914 -0.116 0.000 2.555 199 V HA 0.599 4.719 4.120 0.000 0.000 0.302 199 V C 0.349 176.370 176.094 -0.121 0.000 1.038 199 V CA -0.785 61.452 62.300 -0.105 0.000 0.887 199 V CB 2.027 33.779 31.823 -0.119 0.000 0.991 199 V HN 0.956 nan 8.190 nan 0.000 0.434 200 G N 3.609 112.358 108.800 -0.085 0.000 2.416 200 G HA2 0.727 4.687 3.960 0.000 0.000 0.329 200 G HA3 0.727 4.687 3.960 0.000 0.000 0.329 200 G C -1.007 173.900 174.900 0.012 0.000 1.173 200 G CA -0.665 44.347 45.100 -0.146 0.000 0.929 200 G HN 0.534 nan 8.290 nan 0.000 0.475 201 M N 1.261 120.891 119.600 0.050 0.000 2.393 201 M HA 0.558 5.038 4.480 0.000 0.000 0.316 201 M C -0.306 176.109 176.300 0.192 0.000 1.087 201 M CA -0.490 54.855 55.300 0.076 0.000 0.937 201 M CB 2.683 35.288 32.600 0.008 0.000 1.668 201 M HN 0.628 nan 8.290 nan 0.000 0.438 202 T N 1.339 115.949 114.554 0.094 0.000 2.731 202 T HA 0.917 5.267 4.350 0.000 0.000 0.300 202 T C -1.312 173.416 174.700 0.046 0.000 1.283 202 T CA 0.026 62.184 62.100 0.097 0.000 1.005 202 T CB 2.129 71.086 68.868 0.149 0.000 1.420 202 T HN 1.000 nan 8.240 nan 0.000 0.503 203 G N 0.770 109.614 108.800 0.073 0.000 2.352 203 G HA2 0.413 4.373 3.960 0.000 0.000 0.303 203 G HA3 0.413 4.373 3.960 0.000 0.000 0.303 203 G C -1.272 173.713 174.900 0.142 0.000 1.593 203 G CA -0.002 45.172 45.100 0.122 0.000 0.963 203 G HN 0.760 nan 8.290 nan 0.000 0.685 204 S N -0.037 115.769 115.700 0.177 0.000 2.549 204 S HA 0.925 5.395 4.470 0.000 0.000 0.297 204 S C 1.101 175.870 174.600 0.282 0.000 1.115 204 S CA 1.395 59.692 58.200 0.160 0.000 1.059 204 S CB 1.095 64.329 63.200 0.056 0.000 1.046 204 S HN 2.629 nan 8.310 nan 0.000 0.506 205 A N 3.371 126.379 122.820 0.313 0.000 5.195 205 A HA -0.310 4.010 4.320 0.000 0.000 0.310 205 A C 1.120 178.977 177.584 0.455 0.000 1.951 205 A CA 1.725 54.032 52.037 0.448 0.000 0.714 205 A CB -2.050 17.304 19.000 0.590 0.000 1.301 205 A HN 1.265 nan 8.150 nan 0.000 0.369 206 Y N 1.515 122.075 120.300 0.433 0.000 2.274 206 Y HA -0.093 4.457 4.550 0.000 0.000 0.290 206 Y C 2.540 178.695 175.900 0.426 0.000 1.145 206 Y CA 2.295 60.640 58.100 0.408 0.000 1.203 206 Y CB -0.076 38.592 38.460 0.346 0.000 0.984 206 Y HN 0.660 nan 8.280 nan 0.000 0.533 207 E N -1.141 119.418 120.200 0.598 0.000 2.347 207 E HA -0.108 4.242 4.350 0.000 0.000 0.196 207 E C 2.159 178.951 176.600 0.320 0.000 1.008 207 E CA 0.653 57.314 56.400 0.435 0.000 0.852 207 E CB -0.133 29.802 29.700 0.392 0.000 0.783 207 E HN 0.592 nan 8.360 nan 0.000 0.505 208 G N 0.662 109.658 108.800 0.326 0.000 2.492 208 G HA2 -0.182 3.778 3.960 0.000 0.000 0.214 208 G HA3 -0.182 3.778 3.960 0.000 0.000 0.214 208 G C 1.263 176.317 174.900 0.257 0.000 1.147 208 G CA -0.187 45.057 45.100 0.241 0.000 0.809 208 G HN 0.251 nan 8.290 nan 0.000 0.533 209 F N 3.234 123.283 119.950 0.164 0.000 2.134 209 F HA -0.146 4.381 4.527 0.000 0.000 0.299 209 F C 2.796 178.673 175.800 0.129 0.000 1.097 209 F CA 2.286 60.349 58.000 0.106 0.000 1.264 209 F CB -0.499 38.461 39.000 -0.068 0.000 1.001 209 F HN 0.166 nan 8.300 nan 0.000 0.479 210 T N -2.059 112.538 114.554 0.072 0.000 2.915 210 T HA -0.094 4.256 4.350 0.000 0.000 0.269 210 T C 1.951 176.627 174.700 -0.040 0.000 1.071 210 T CA 1.261 63.345 62.100 -0.028 0.000 1.132 210 T CB -1.157 67.831 68.868 0.200 0.000 0.878 210 T HN 0.183 nan 8.240 nan 0.000 0.479 211 V N 1.307 121.229 119.914 0.012 0.000 2.379 211 V HA -0.097 4.023 4.120 0.000 0.000 0.245 211 V C 2.904 178.979 176.094 -0.031 0.000 1.044 211 V CA 1.116 63.412 62.300 -0.006 0.000 1.036 211 V CB -0.716 31.103 31.823 -0.007 0.000 0.664 211 V HN 0.368 nan 8.190 nan 0.000 0.453 212 V N -0.479 119.425 119.914 -0.016 0.000 2.343 212 V HA -0.295 3.825 4.120 0.000 0.000 0.247 212 V C 2.562 178.649 176.094 -0.011 0.000 1.051 212 V CA 1.877 64.211 62.300 0.057 0.000 1.036 212 V CB -0.635 31.295 31.823 0.178 0.000 0.654 212 V HN 0.401 nan 8.190 nan 0.000 0.451 213 M N -0.123 119.373 119.600 -0.172 0.000 2.159 213 M HA -0.131 4.349 4.480 0.000 0.000 0.263 213 M C 2.387 178.671 176.300 -0.027 0.000 1.063 213 M CA 2.191 57.394 55.300 -0.163 0.000 1.110 213 M CB -1.441 30.958 32.600 -0.335 0.000 1.374 213 M HN 0.424 nan 8.290 nan 0.000 0.411 214 A N -0.071 122.743 122.820 -0.010 0.000 1.969 214 A HA -0.091 4.229 4.320 0.000 0.000 0.218 214 A C 2.226 179.850 177.584 0.066 0.000 1.169 214 A CA 1.062 53.128 52.037 0.048 0.000 0.635 214 A CB -0.860 18.161 19.000 0.035 0.000 0.810 214 A HN 0.480 nan 8.150 nan 0.000 0.445 215 L N -0.365 120.889 121.223 0.051 0.000 2.362 215 L HA -0.106 4.234 4.340 0.000 0.000 0.219 215 L C 2.169 179.097 176.870 0.096 0.000 1.134 215 L CA 0.337 55.220 54.840 0.073 0.000 0.807 215 L CB -0.380 41.734 42.059 0.091 0.000 0.927 215 L HN 0.397 nan 8.230 nan 0.000 0.447 216 L N -0.896 120.381 121.223 0.091 0.000 2.141 216 L HA -0.088 4.252 4.340 0.000 0.000 0.209 216 L C 0.431 177.358 176.870 0.094 0.000 1.094 216 L CA 0.942 55.837 54.840 0.091 0.000 0.763 216 L CB -0.053 42.052 42.059 0.077 0.000 0.908 216 L HN 0.212 nan 8.230 nan 0.000 0.437 217 D N -0.744 119.726 120.400 0.116 0.000 2.634 217 D HA 0.166 4.806 4.640 0.000 0.000 0.236 217 D C -2.639 173.815 176.300 0.256 0.000 1.323 217 D CA -1.173 52.916 54.000 0.148 0.000 0.884 217 D CB 1.195 42.058 40.800 0.106 0.000 1.496 217 D HN -0.136 nan 8.370 nan 0.000 0.525 218 P HA 0.165 nan 4.420 nan 0.000 0.282 218 P C -0.007 177.397 177.300 0.173 0.000 1.249 218 P CA -0.322 62.885 63.100 0.177 0.000 0.806 218 P CB 0.862 32.605 31.700 0.071 0.000 0.984 219 H N 3.632 122.604 119.070 -0.163 0.000 2.815 219 H HA 0.060 4.616 4.556 0.000 0.000 0.350 219 H C -1.417 173.769 175.328 -0.236 0.000 1.080 219 H CA -1.035 54.692 56.048 -0.536 0.000 1.433 219 H CB 0.611 29.812 29.762 -0.935 0.000 1.432 219 H HN 0.190 nan 8.280 nan 0.000 0.592 220 P HA -0.145 nan 4.420 nan 0.000 0.218 220 P C 0.834 178.102 177.300 -0.053 0.000 1.146 220 P CA 1.940 64.930 63.100 -0.183 0.000 0.820 220 P CB 0.053 31.608 31.700 -0.241 0.000 0.778 221 A N -1.374 121.524 122.820 0.130 0.000 2.167 221 A HA -0.003 4.317 4.320 0.000 0.000 0.214 221 A C 1.022 178.578 177.584 -0.047 0.000 1.151 221 A CA 0.128 52.189 52.037 0.040 0.000 0.735 221 A CB -0.999 18.005 19.000 0.006 0.000 0.802 221 A HN 0.153 nan 8.150 nan 0.000 0.467 222 L N 0.806 122.003 121.223 -0.044 0.000 2.454 222 L HA 0.223 4.563 4.340 0.000 0.000 0.284 222 L C 0.751 177.546 176.870 -0.126 0.000 1.139 222 L CA 0.094 54.877 54.840 -0.094 0.000 0.911 222 L CB 0.173 42.190 42.059 -0.070 0.000 1.262 222 L HN 0.028 nan 8.230 nan 0.000 0.453 223 K N 3.506 123.805 120.400 -0.168 0.000 2.314 223 K HA 0.264 4.584 4.320 0.000 0.000 0.198 223 K C -0.038 176.343 176.600 -0.365 0.000 1.045 223 K CA 0.387 56.548 56.287 -0.210 0.000 0.988 223 K CB 0.400 32.816 32.500 -0.140 0.000 0.783 223 K HN 0.396 nan 8.250 nan 0.000 0.484 224 V N -0.486 119.183 119.914 -0.409 0.000 3.077 224 V HA 0.660 4.780 4.120 0.000 0.000 0.299 224 V C -2.029 173.821 176.094 -0.405 0.000 1.276 224 V CA -0.823 61.153 62.300 -0.540 0.000 0.993 224 V CB 2.183 33.499 31.823 -0.844 0.000 1.076 224 V HN 0.156 nan 8.190 nan 0.000 0.434 225 A N 4.105 126.832 122.820 -0.155 0.000 2.435 225 A HA 1.021 5.341 4.320 0.000 0.000 0.304 225 A C -0.445 177.252 177.584 0.188 0.000 1.064 225 A CA -0.142 51.908 52.037 0.022 0.000 0.727 225 A CB 2.081 21.031 19.000 -0.084 0.000 1.284 225 A HN 2.236 nan 8.150 nan 0.000 0.415 226 A N 2.712 125.665 122.820 0.222 0.000 2.943 226 A HA 0.699 5.019 4.320 0.000 0.000 0.327 226 A C -3.095 174.414 177.584 -0.124 0.000 1.141 226 A CA -1.321 50.733 52.037 0.027 0.000 0.773 226 A CB 0.373 19.382 19.000 0.016 0.000 1.143 226 A HN 0.421 nan 8.150 nan 0.000 0.463 227 P HA 0.311 nan 4.420 nan 0.000 0.276 227 P C -0.510 176.771 177.300 -0.032 0.000 1.253 227 P CA 0.453 63.460 63.100 -0.155 0.000 0.766 227 P CB 0.703 32.203 31.700 -0.333 0.000 0.845 228 E N 1.529 121.749 120.200 0.033 0.000 2.151 228 E HA 0.281 4.631 4.350 0.000 0.000 0.275 228 E C -0.048 176.629 176.600 0.128 0.000 0.936 228 E CA -0.723 55.702 56.400 0.042 0.000 0.777 228 E CB 0.660 30.349 29.700 -0.017 0.000 1.108 228 E HN 0.223 nan 8.360 nan 0.000 0.401 229 S N 2.520 118.315 115.700 0.158 0.000 3.410 229 S HA -0.137 4.333 4.470 0.000 0.000 0.369 229 S C -2.173 172.602 174.600 0.292 0.000 0.961 229 S CA 0.206 58.544 58.200 0.229 0.000 1.248 229 S CB -1.492 61.829 63.200 0.202 0.000 0.914 229 S HN 0.478 nan 8.310 nan 0.000 0.497 230 P HA 0.206 nan 4.420 nan 0.000 0.275 230 P C -0.085 177.395 177.300 0.300 0.000 1.228 230 P CA -0.433 62.864 63.100 0.329 0.000 0.786 230 P CB 0.501 32.433 31.700 0.387 0.000 0.927 231 M N 2.768 122.532 119.600 0.273 0.000 2.266 231 M HA 0.083 4.563 4.480 0.000 0.000 0.340 231 M C 0.904 177.372 176.300 0.281 0.000 1.486 231 M CA -0.081 55.312 55.300 0.155 0.000 1.209 231 M CB 0.401 32.971 32.600 -0.050 0.000 1.714 231 M HN 0.131 nan 8.290 nan 0.000 0.459 232 V N 0.433 120.496 119.914 0.250 0.000 2.911 232 V HA 0.130 4.250 4.120 0.000 0.000 0.237 232 V C 0.172 176.415 176.094 0.249 0.000 1.156 232 V CA 0.860 63.337 62.300 0.295 0.000 1.180 232 V CB 0.545 32.555 31.823 0.312 0.000 0.932 232 V HN 0.766 nan 8.190 nan 0.000 0.483 233 D N -0.026 120.472 120.400 0.163 0.000 2.346 233 D HA 0.300 4.940 4.640 0.000 0.000 0.255 233 D C 0.998 177.257 176.300 -0.069 0.000 1.276 233 D CA 0.362 54.402 54.000 0.067 0.000 0.941 233 D CB 1.426 42.175 40.800 -0.085 0.000 1.199 233 D HN 0.185 nan 8.370 nan 0.000 0.537 234 G N 1.513 110.344 108.800 0.051 0.000 2.535 234 G HA2 -0.225 3.736 3.960 0.000 0.000 0.218 234 G HA3 -0.225 3.736 3.960 0.000 0.000 0.218 234 G C 1.051 175.942 174.900 -0.016 0.000 1.122 234 G CA 0.208 45.246 45.100 -0.103 0.000 0.769 234 G HN 0.529 nan 8.290 nan 0.000 0.549 235 W N -0.265 120.866 121.300 -0.280 0.000 2.699 235 W HA 0.262 4.923 4.660 0.000 0.000 0.267 235 W C 2.369 178.497 176.519 -0.652 0.000 1.182 235 W CA 0.148 57.221 57.345 -0.453 0.000 1.453 235 W CB 0.251 29.306 29.460 -0.675 0.000 1.054 235 W HN -0.030 nan 8.180 nan 0.000 0.595 236 M N -0.252 118.981 119.600 -0.611 0.000 2.099 236 M HA 0.131 4.611 4.480 0.000 0.000 0.262 236 M C 1.548 176.874 176.300 -1.624 0.000 1.067 236 M CA 1.953 56.429 55.300 -1.373 0.000 1.124 236 M CB -1.350 30.050 32.600 -1.999 0.000 1.353 236 M HN 0.277 nan 8.290 nan 0.000 0.410 237 G N -1.409 106.626 108.800 -1.276 0.000 4.983 237 G HA2 0.080 4.040 3.960 0.000 0.000 0.209 237 G HA3 0.080 4.040 3.960 0.000 0.000 0.209 237 G C -0.032 174.595 174.900 -0.456 0.000 0.863 237 G CA -0.356 44.172 45.100 -0.952 0.000 0.793 237 G HN 0.197 nan 8.290 nan 0.000 0.341 238 D N 0.311 120.556 120.400 -0.259 0.000 3.009 238 D HA 0.138 4.778 4.640 0.000 0.000 0.243 238 D C 1.078 177.294 176.300 -0.140 0.000 1.204 238 D CA -0.128 53.808 54.000 -0.107 0.000 1.171 238 D CB 0.567 41.295 40.800 -0.120 0.000 0.954 238 D HN -0.088 nan 8.370 nan 0.000 0.241 239 D N -0.487 119.635 120.400 -0.463 0.000 2.137 239 D HA -0.038 4.602 4.640 0.000 0.000 0.202 239 D C 2.244 178.236 176.300 -0.514 0.000 0.970 239 D CA 0.761 54.345 54.000 -0.693 0.000 0.837 239 D CB 0.095 40.110 40.800 -1.309 0.000 0.981 239 D HN 0.395 nan 8.370 nan 0.000 0.475 240 W N -0.056 121.182 121.300 -0.105 0.000 2.526 240 W HA 0.107 4.767 4.660 0.000 0.000 0.294 240 W C 0.582 176.732 176.519 -0.615 0.000 1.181 240 W CA -0.476 56.703 57.345 -0.278 0.000 1.373 240 W CB -0.003 29.481 29.460 0.039 0.000 1.112 240 W HN -0.220 nan 8.180 nan 0.000 0.545 241 F N -1.421 118.488 119.950 -0.069 0.000 2.629 241 F HA 0.428 4.955 4.527 0.000 0.000 0.316 241 F C -0.377 175.320 175.800 -0.172 0.000 1.081 241 F CA -1.415 56.447 58.000 -0.231 0.000 0.954 241 F CB 1.195 39.740 39.000 -0.758 0.000 1.337 241 F HN -0.291 nan 8.300 nan 0.000 0.474 242 H N 1.263 120.251 119.070 -0.137 0.000 2.860 242 H HA 0.226 4.782 4.556 0.000 0.000 0.312 242 H C -1.131 173.959 175.328 -0.396 0.000 0.995 242 H CA -0.886 55.000 56.048 -0.270 0.000 1.311 242 H CB 0.801 30.590 29.762 0.044 0.000 1.478 242 H HN 0.682 nan 8.280 nan 0.000 0.508 243 Y N 1.736 121.673 120.300 -0.605 0.000 3.491 243 Y HA -0.303 4.247 4.550 0.000 0.000 0.215 243 Y C 1.561 176.907 175.900 -0.924 0.000 1.219 243 Y CA 1.463 59.113 58.100 -0.749 0.000 1.485 243 Y CB -1.769 36.382 38.460 -0.514 0.000 1.450 243 Y HN 1.133 nan 8.280 nan 0.000 0.603 244 G N -2.077 105.855 108.800 -1.446 0.000 2.199 244 G HA2 -0.036 3.924 3.960 0.000 0.000 0.254 244 G HA3 -0.036 3.924 3.960 0.000 0.000 0.254 244 G C 0.336 175.145 174.900 -0.152 0.000 0.982 244 G CA -0.106 44.251 45.100 -1.238 0.000 0.632 244 G HN 1.569 nan 8.290 nan 0.000 0.529 245 A N 0.413 123.218 122.820 -0.024 0.000 2.302 245 A HA 0.646 4.966 4.320 0.000 0.000 0.295 245 A C -0.032 177.788 177.584 0.394 0.000 1.235 245 A CA -0.385 51.770 52.037 0.196 0.000 0.876 245 A CB 0.151 19.156 19.000 0.008 0.000 1.133 245 A HN 1.276 nan 8.150 nan 0.000 0.533 246 F N 2.930 123.003 119.950 0.205 0.000 2.538 246 F HA 0.313 4.840 4.527 0.000 0.000 0.371 246 F C 0.778 176.432 175.800 -0.244 0.000 1.087 246 F CA 0.006 57.922 58.000 -0.141 0.000 1.250 246 F CB 0.583 39.575 39.000 -0.013 0.000 1.110 246 F HN 0.565 nan 8.300 nan 0.000 0.570 247 R N 6.053 125.729 120.500 -1.372 0.000 2.230 247 R HA 0.131 4.471 4.340 0.000 0.000 0.337 247 R C 0.990 176.148 176.300 -1.904 0.000 1.063 247 R CA -0.265 54.965 56.100 -1.450 0.000 0.935 247 R CB 0.676 30.331 30.300 -1.074 0.000 1.121 247 R HN 0.763 nan 8.270 nan 0.000 0.486 248 Q N 1.257 120.105 119.800 -1.586 0.000 2.439 248 Q HA -0.098 4.242 4.340 0.000 0.000 0.211 248 Q C 1.656 176.661 176.000 -1.658 0.000 0.978 248 Q CA 1.180 56.073 55.803 -1.516 0.000 0.897 248 Q CB 0.211 28.164 28.738 -1.308 0.000 0.956 248 Q HN 0.837 nan 8.270 nan 0.000 0.483 249 G N 0.711 108.372 108.800 -1.899 0.000 2.598 249 G HA2 -0.033 3.927 3.960 0.000 0.000 0.215 249 G HA3 -0.033 3.927 3.960 0.000 0.000 0.215 249 G C 1.413 175.636 174.900 -1.128 0.000 1.131 249 G CA 0.564 44.436 45.100 -2.047 0.000 0.785 249 G HN 0.384 nan 8.290 nan 0.000 0.539 250 A N 0.665 122.841 122.820 -1.074 0.000 2.015 250 A HA 0.132 4.452 4.320 0.000 0.000 0.219 250 A C 1.983 178.908 177.584 -1.100 0.000 1.163 250 A CA 0.927 52.421 52.037 -0.905 0.000 0.646 250 A CB -0.437 18.069 19.000 -0.825 0.000 0.806 250 A HN 0.241 nan 8.150 nan 0.000 0.448 251 F N 0.853 120.365 119.950 -0.731 0.000 2.095 251 F HA -0.169 4.358 4.527 0.000 0.000 0.298 251 F C 2.160 177.795 175.800 -0.275 0.000 1.104 251 F CA 1.247 58.979 58.000 -0.446 0.000 1.232 251 F CB -0.938 37.984 39.000 -0.130 0.000 0.987 251 F HN 0.241 nan 8.300 nan 0.000 0.475 252 D N -1.310 119.057 120.400 -0.055 0.000 2.117 252 D HA -0.235 4.405 4.640 0.000 0.000 0.197 252 D C 2.176 178.484 176.300 0.014 0.000 0.987 252 D CA 1.142 55.130 54.000 -0.021 0.000 0.829 252 D CB -0.673 40.093 40.800 -0.057 0.000 0.961 252 D HN 0.343 nan 8.370 nan 0.000 0.460 253 Y N 0.518 120.734 120.300 -0.140 0.000 2.181 253 Y HA -0.221 4.329 4.550 0.000 0.000 0.288 253 Y C 2.229 178.255 175.900 0.211 0.000 1.146 253 Y CA 1.516 59.631 58.100 0.025 0.000 1.164 253 Y CB -0.447 38.038 38.460 0.042 0.000 0.982 253 Y HN -0.073 nan 8.280 nan 0.000 0.515 254 F N -1.413 118.632 119.950 0.158 0.000 2.069 254 F HA -0.297 4.230 4.527 0.000 0.000 0.298 254 F C 2.284 178.040 175.800 -0.073 0.000 1.113 254 F CA 1.015 59.056 58.000 0.069 0.000 1.214 254 F CB -0.639 38.414 39.000 0.088 0.000 0.978 254 F HN -0.126 nan 8.300 nan 0.000 0.474 255 V N -0.954 118.979 119.914 0.031 0.000 2.515 255 V HA -0.263 3.857 4.120 0.000 0.000 0.250 255 V C 2.347 178.463 176.094 0.037 0.000 1.058 255 V CA 1.922 64.180 62.300 -0.069 0.000 1.064 255 V CB -0.519 31.227 31.823 -0.129 0.000 0.675 255 V HN 0.349 nan 8.190 nan 0.000 0.461 256 S N -0.814 114.888 115.700 0.004 0.000 2.387 256 S HA -0.175 4.295 4.470 0.000 0.000 0.226 256 S C 1.933 176.503 174.600 -0.050 0.000 1.026 256 S CA 1.201 59.392 58.200 -0.015 0.000 0.972 256 S CB -0.082 63.108 63.200 -0.018 0.000 0.814 256 S HN 0.583 nan 8.310 nan 0.000 0.477 257 Q N -0.408 119.322 119.800 -0.118 0.000 2.396 257 Q HA 0.311 4.651 4.340 0.000 0.000 0.209 257 Q C 1.071 177.046 176.000 -0.041 0.000 0.906 257 Q CA 0.481 56.188 55.803 -0.160 0.000 0.927 257 Q CB 0.201 28.717 28.738 -0.370 0.000 1.069 257 Q HN 0.585 nan 8.270 nan 0.000 0.523 258 M N -0.850 118.824 119.600 0.122 0.000 2.416 258 M HA 0.130 4.610 4.480 0.000 0.000 0.337 258 M C 0.967 177.422 176.300 0.259 0.000 1.074 258 M CA 0.090 55.535 55.300 0.241 0.000 0.968 258 M CB 0.830 33.654 32.600 0.374 0.000 1.472 258 M HN -0.143 nan 8.290 nan 0.000 0.539 259 T N 1.014 115.695 114.554 0.212 0.000 2.942 259 T HA 0.244 4.594 4.350 0.000 0.000 0.265 259 T C 0.685 175.388 174.700 0.005 0.000 1.062 259 T CA 0.931 63.123 62.100 0.155 0.000 1.139 259 T CB 0.187 69.147 68.868 0.153 0.000 0.883 259 T HN 0.473 nan 8.240 nan 0.000 0.468 260 A N -0.183 122.611 122.820 -0.044 0.000 2.602 260 A HA 0.684 5.004 4.320 0.000 0.000 0.290 260 A C 0.811 178.282 177.584 -0.188 0.000 1.114 260 A CA -0.675 51.300 52.037 -0.105 0.000 0.683 260 A CB 0.836 19.769 19.000 -0.112 0.000 1.281 260 A HN 0.049 nan 8.150 nan 0.000 0.416 261 R N -0.088 120.292 120.500 -0.199 0.000 2.091 261 R HA -0.074 4.266 4.340 0.000 0.000 0.238 261 R C 1.209 177.186 176.300 -0.538 0.000 1.136 261 R CA 2.262 58.201 56.100 -0.269 0.000 0.959 261 R CB -0.372 29.822 30.300 -0.178 0.000 0.856 261 R HN 0.874 nan 8.270 nan 0.000 0.437 262 G N -1.014 107.449 108.800 -0.562 0.000 2.829 262 G HA2 0.375 4.335 3.960 0.000 0.000 0.173 262 G HA3 0.375 4.335 3.960 0.000 0.000 0.173 262 G C -0.417 174.019 174.900 -0.774 0.000 1.476 262 G CA -0.224 44.285 45.100 -0.986 0.000 1.072 262 G HN 0.402 nan 8.290 nan 0.000 0.577 263 G N -1.314 107.286 108.800 -0.334 0.000 2.544 263 G HA2 0.516 4.476 3.960 0.000 0.000 0.242 263 G HA3 0.516 4.476 3.960 0.000 0.000 0.242 263 G C 0.108 174.972 174.900 -0.061 0.000 1.247 263 G CA 0.619 45.692 45.100 -0.046 0.000 0.840 263 G HN 0.922 nan 8.290 nan 0.000 0.578 264 G N 0.099 108.890 108.800 -0.014 0.000 2.949 264 G HA2 0.606 4.566 3.960 0.000 0.000 0.285 264 G HA3 0.606 4.566 3.960 0.000 0.000 0.285 264 G C -0.884 174.024 174.900 0.014 0.000 1.395 264 G CA -0.830 44.268 45.100 -0.004 0.000 0.901 264 G HN 0.599 nan 8.290 nan 0.000 0.519 265 N N -0.431 118.278 118.700 0.016 0.000 2.457 265 N HA 0.389 5.129 4.740 0.000 0.000 0.290 265 N C -1.161 174.355 175.510 0.010 0.000 1.232 265 N CA -0.543 52.515 53.050 0.013 0.000 0.852 265 N CB 2.026 40.517 38.487 0.007 0.000 1.313 265 N HN 0.393 nan 8.380 nan 0.000 0.522 266 D N 0.471 120.875 120.400 0.008 0.000 2.411 266 D HA 0.325 4.965 4.640 0.000 0.000 0.251 266 D C 0.281 176.580 176.300 -0.002 0.000 1.201 266 D CA -0.081 53.924 54.000 0.008 0.000 0.996 266 D CB 1.027 41.835 40.800 0.013 0.000 1.101 266 D HN 0.309 nan 8.370 nan 0.000 0.504 267 I N 1.885 122.456 120.570 0.003 0.000 2.452 267 I HA 0.105 4.275 4.170 0.000 0.000 0.287 267 I C -1.924 174.178 176.117 -0.025 0.000 1.079 267 I CA -1.460 59.822 61.300 -0.030 0.000 1.387 267 I CB 0.425 38.407 38.000 -0.030 0.000 1.404 267 I HN 0.007 nan 8.210 nan 0.000 0.522 268 P HA 0.098 nan 4.420 nan 0.000 0.265 268 P C -0.730 176.538 177.300 -0.054 0.000 1.193 268 P CA -0.040 63.032 63.100 -0.047 0.000 0.765 268 P CB 0.444 32.108 31.700 -0.060 0.000 0.823 269 R N 2.505 122.990 120.500 -0.026 0.000 2.668 269 R HA 0.355 4.695 4.340 0.000 0.000 0.279 269 R C 1.121 177.408 176.300 -0.022 0.000 0.976 269 R CA -0.805 55.287 56.100 -0.013 0.000 0.978 269 R CB 1.447 31.759 30.300 0.021 0.000 1.133 269 R HN 0.411 nan 8.270 nan 0.000 0.484 270 R N 0.290 120.778 120.500 -0.020 0.000 2.075 270 R HA 0.056 4.396 4.340 0.000 0.000 0.220 270 R C 0.159 176.459 176.300 0.001 0.000 1.118 270 R CA 1.184 57.274 56.100 -0.017 0.000 0.986 270 R CB 0.240 30.527 30.300 -0.021 0.000 0.884 270 R HN 0.577 nan 8.270 nan 0.000 0.439 271 D N -1.436 118.974 120.400 0.017 0.000 2.228 271 D HA 0.237 4.877 4.640 0.000 0.000 0.247 271 D C 0.003 176.314 176.300 0.018 0.000 0.995 271 D CA 0.148 54.163 54.000 0.025 0.000 0.903 271 D CB 2.120 42.950 40.800 0.050 0.000 1.205 271 D HN 0.284 nan 8.370 nan 0.000 0.459 272 A N 2.144 124.970 122.820 0.010 0.000 2.066 272 A HA -0.066 4.254 4.320 0.000 0.000 0.218 272 A C 0.784 178.358 177.584 -0.017 0.000 1.157 272 A CA 0.874 52.905 52.037 -0.009 0.000 0.670 272 A CB 0.072 19.065 19.000 -0.011 0.000 0.804 272 A HN 0.496 nan 8.150 nan 0.000 0.453 273 D N -0.550 119.863 120.400 0.021 0.000 2.280 273 D HA 0.293 4.933 4.640 0.000 0.000 0.236 273 D C -0.229 176.130 176.300 0.098 0.000 1.082 273 D CA -0.474 53.555 54.000 0.048 0.000 0.834 273 D CB 0.938 41.794 40.800 0.092 0.000 1.100 273 D HN -0.003 nan 8.370 nan 0.000 0.486 274 D N 2.333 122.768 120.400 0.058 0.000 2.317 274 D HA -0.140 4.500 4.640 0.000 0.000 0.211 274 D C 1.276 177.735 176.300 0.266 0.000 0.966 274 D CA 0.466 54.559 54.000 0.155 0.000 0.876 274 D CB 0.013 40.838 40.800 0.041 0.000 0.927 274 D HN 0.554 nan 8.370 nan 0.000 0.519 275 Y N 1.396 121.777 120.300 0.135 0.000 2.181 275 Y HA -0.214 4.336 4.550 0.000 0.000 0.288 275 Y C 2.225 178.330 175.900 0.342 0.000 1.146 275 Y CA 1.626 59.877 58.100 0.252 0.000 1.164 275 Y CB -0.300 38.304 38.460 0.240 0.000 0.982 275 Y HN -0.135 nan 8.280 nan 0.000 0.515 276 T N 0.741 115.565 114.554 0.450 0.000 2.737 276 T HA -0.157 4.193 4.350 0.000 0.000 0.265 276 T C 1.663 176.495 174.700 0.220 0.000 1.038 276 T CA 1.392 63.677 62.100 0.309 0.000 1.144 276 T CB -0.325 68.671 68.868 0.213 0.000 0.866 276 T HN 0.364 nan 8.240 nan 0.000 0.434 277 N N 0.885 119.697 118.700 0.187 0.000 2.061 277 N HA -0.061 4.679 4.740 0.000 0.000 0.193 277 N C 1.608 177.172 175.510 0.090 0.000 1.030 277 N CA 1.336 54.453 53.050 0.113 0.000 0.856 277 N CB -0.545 37.983 38.487 0.067 0.000 1.023 277 N HN 0.364 nan 8.380 nan 0.000 0.424 278 F N 0.479 120.495 119.950 0.111 0.000 2.234 278 F HA 0.007 4.534 4.527 0.000 0.000 0.296 278 F C 2.165 178.129 175.800 0.274 0.000 1.089 278 F CA 0.155 58.225 58.000 0.116 0.000 1.343 278 F CB -0.385 38.524 39.000 -0.152 0.000 1.040 278 F HN -0.026 nan 8.300 nan 0.000 0.498 279 L N 0.425 121.915 121.223 0.446 0.000 2.056 279 L HA -0.153 4.187 4.340 0.000 0.000 0.207 279 L C 2.224 179.128 176.870 0.057 0.000 1.078 279 L CA 1.822 56.744 54.840 0.136 0.000 0.749 279 L CB -0.676 41.352 42.059 -0.053 0.000 0.901 279 L HN -0.086 nan 8.230 nan 0.000 0.433 280 K N -0.599 119.860 120.400 0.098 0.000 2.097 280 K HA -0.026 4.294 4.320 0.000 0.000 0.205 280 K C 1.994 178.629 176.600 0.059 0.000 1.050 280 K CA 1.237 57.558 56.287 0.057 0.000 0.938 280 K CB -0.315 32.221 32.500 0.061 0.000 0.718 280 K HN 0.446 nan 8.250 nan 0.000 0.442 281 A N 0.544 123.430 122.820 0.109 0.000 2.015 281 A HA 0.060 4.380 4.320 0.000 0.000 0.219 281 A C 1.455 179.117 177.584 0.129 0.000 1.163 281 A CA 2.013 54.122 52.037 0.120 0.000 0.646 281 A CB -0.370 18.756 19.000 0.211 0.000 0.806 281 A HN 0.455 nan 8.150 nan 0.000 0.448 282 G N -1.010 107.864 108.800 0.124 0.000 3.076 282 G HA2 -0.172 3.788 3.960 0.000 0.000 0.256 282 G HA3 -0.172 3.788 3.960 0.000 0.000 0.256 282 G C 0.686 175.706 174.900 0.199 0.000 1.589 282 G CA 0.747 45.883 45.100 0.060 0.000 1.044 282 G HN 1.746 nan 8.290 nan 0.000 0.563 283 S N 1.362 117.254 115.700 0.320 0.000 2.645 283 S HA 0.709 5.179 4.470 0.000 0.000 0.266 283 S C 1.695 176.599 174.600 0.507 0.000 1.258 283 S CA 0.670 59.145 58.200 0.459 0.000 0.990 283 S CB 1.555 65.023 63.200 0.446 0.000 0.967 283 S HN 2.175 nan 8.310 nan 0.000 0.556 284 A N 1.430 124.622 122.820 0.619 0.000 1.930 284 A HA 0.179 4.499 4.320 0.000 0.000 0.217 284 A C 2.154 180.115 177.584 0.630 0.000 1.175 284 A CA 1.475 53.976 52.037 0.774 0.000 0.627 284 A CB -1.732 17.805 19.000 0.894 0.000 0.815 284 A HN 1.143 nan 8.150 nan 0.000 0.443 285 G N -0.927 108.227 108.800 0.590 0.000 2.422 285 G HA2 -0.150 3.810 3.960 0.000 0.000 0.218 285 G HA3 -0.150 3.810 3.960 0.000 0.000 0.218 285 G C 1.875 176.913 174.900 0.231 0.000 1.140 285 G CA 1.428 46.806 45.100 0.464 0.000 0.775 285 G HN 0.572 nan 8.290 nan 0.000 0.545 286 S N -0.418 115.427 115.700 0.242 0.000 2.368 286 S HA -0.068 4.402 4.470 0.000 0.000 0.224 286 S C 2.046 176.670 174.600 0.039 0.000 1.029 286 S CA 1.179 59.458 58.200 0.133 0.000 0.988 286 S CB -0.391 62.906 63.200 0.162 0.000 0.838 286 S HN 0.354 nan 8.310 nan 0.000 0.462 287 F N 2.271 122.186 119.950 -0.058 0.000 2.102 287 F HA 0.050 4.577 4.527 0.000 0.000 0.298 287 F C 2.356 177.874 175.800 -0.471 0.000 1.105 287 F CA 1.323 59.183 58.000 -0.233 0.000 1.239 287 F CB -0.789 38.103 39.000 -0.180 0.000 0.991 287 F HN 0.286 nan 8.300 nan 0.000 0.474 288 A N -0.537 121.968 122.820 -0.525 0.000 1.908 288 A HA -0.196 4.124 4.320 0.000 0.000 0.218 288 A C 2.180 179.442 177.584 -0.537 0.000 1.181 288 A CA 2.351 53.801 52.037 -0.978 0.000 0.627 288 A CB -1.453 16.672 19.000 -1.458 0.000 0.818 288 A HN 0.442 nan 8.150 nan 0.000 0.445 289 T N -0.127 114.259 114.554 -0.280 0.000 2.746 289 T HA -0.168 4.182 4.350 0.000 0.000 0.267 289 T C 2.031 176.601 174.700 -0.216 0.000 1.039 289 T CA 1.807 63.808 62.100 -0.165 0.000 1.142 289 T CB -0.250 68.576 68.868 -0.072 0.000 0.866 289 T HN 0.634 nan 8.240 nan 0.000 0.444 290 Q N 0.224 119.851 119.800 -0.288 0.000 2.291 290 Q HA 0.116 4.456 4.340 0.000 0.000 0.205 290 Q C 2.384 178.151 176.000 -0.388 0.000 0.970 290 Q CA 1.043 56.659 55.803 -0.312 0.000 0.876 290 Q CB -0.119 28.411 28.738 -0.347 0.000 0.935 290 Q HN 0.517 nan 8.270 nan 0.000 0.455 291 A N -0.362 122.149 122.820 -0.515 0.000 2.123 291 A HA 0.273 4.593 4.320 0.000 0.000 0.214 291 A C 1.533 178.951 177.584 -0.277 0.000 1.152 291 A CA 0.868 52.617 52.037 -0.479 0.000 0.728 291 A CB -0.094 18.526 19.000 -0.635 0.000 0.814 291 A HN 0.424 nan 8.150 nan 0.000 0.464 292 G N -1.358 107.313 108.800 -0.216 0.000 2.131 292 G HA2 -0.212 3.748 3.960 0.000 0.000 0.223 292 G HA3 -0.212 3.748 3.960 0.000 0.000 0.223 292 G C 0.647 175.568 174.900 0.035 0.000 0.990 292 G CA 0.335 45.396 45.100 -0.065 0.000 0.671 292 G HN 0.391 nan 8.290 nan 0.000 0.521 293 L N 0.192 121.336 121.223 -0.132 0.000 2.465 293 L HA 0.098 4.438 4.340 0.000 0.000 0.224 293 L C 2.114 179.143 176.870 0.265 0.000 1.145 293 L CA 0.875 55.663 54.840 -0.086 0.000 0.834 293 L CB -0.090 41.637 42.059 -0.554 0.000 0.944 293 L HN 0.083 nan 8.230 nan 0.000 0.451 294 D N 0.067 120.582 120.400 0.191 0.000 2.309 294 D HA -0.186 4.454 4.640 0.000 0.000 0.212 294 D C 1.958 178.345 176.300 0.146 0.000 0.968 294 D CA 0.833 54.951 54.000 0.196 0.000 0.882 294 D CB 0.104 40.938 40.800 0.056 0.000 0.918 294 D HN 0.561 nan 8.370 nan 0.000 0.503 295 Q N -0.651 119.256 119.800 0.177 0.000 2.319 295 Q HA -0.033 4.307 4.340 0.000 0.000 0.202 295 Q C -0.325 175.702 176.000 0.044 0.000 0.896 295 Q CA -0.093 55.754 55.803 0.072 0.000 0.942 295 Q CB -0.058 28.680 28.738 0.000 0.000 1.083 295 Q HN 0.253 nan 8.270 nan 0.000 0.510 296 Y N 1.570 121.911 120.300 0.069 0.000 2.367 296 Y HA 0.254 4.804 4.550 0.000 0.000 0.342 296 Y C -1.586 174.358 175.900 0.073 0.000 0.979 296 Y CA -2.513 55.637 58.100 0.084 0.000 1.161 296 Y CB 1.578 40.114 38.460 0.126 0.000 1.155 296 Y HN 0.041 nan 8.280 nan 0.000 0.503 297 P HA -0.276 nan 4.420 nan 0.000 0.216 297 P C 1.565 178.907 177.300 0.071 0.000 1.154 297 P CA 1.487 64.625 63.100 0.063 0.000 0.865 297 P CB 0.055 31.783 31.700 0.046 0.000 0.789 298 F N -1.056 118.882 119.950 -0.019 0.000 2.171 298 F HA -0.129 4.398 4.527 0.000 0.000 0.300 298 F C 2.257 177.978 175.800 -0.132 0.000 1.090 298 F CA 1.166 59.099 58.000 -0.112 0.000 1.293 298 F CB -0.826 38.043 39.000 -0.217 0.000 1.013 298 F HN 0.007 nan 8.300 nan 0.000 0.486 299 W N 1.259 122.379 121.300 -0.300 0.000 2.388 299 W HA -0.202 4.458 4.660 0.000 0.000 0.294 299 W C 1.940 178.320 176.519 -0.232 0.000 1.212 299 W CA 1.431 58.597 57.345 -0.299 0.000 1.271 299 W CB -0.345 29.069 29.460 -0.077 0.000 1.126 299 W HN 0.161 nan 8.180 nan 0.000 0.535 300 Q N 0.265 119.875 119.800 -0.318 0.000 2.096 300 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 300 Q C 2.353 178.078 176.000 -0.459 0.000 0.982 300 Q CA 1.914 57.475 55.803 -0.403 0.000 0.850 300 Q CB -0.329 28.291 28.738 -0.198 0.000 0.901 300 Q HN 0.307 nan 8.270 nan 0.000 0.422 301 R N 0.138 120.362 120.500 -0.459 0.000 2.066 301 R HA -0.065 4.275 4.340 0.000 0.000 0.232 301 R C 2.314 178.239 176.300 -0.626 0.000 1.131 301 R CA 1.370 57.119 56.100 -0.585 0.000 0.955 301 R CB -0.373 29.544 30.300 -0.639 0.000 0.851 301 R HN 0.328 nan 8.270 nan 0.000 0.432 302 M N 0.365 119.605 119.600 -0.601 0.000 2.086 302 M HA -0.218 4.262 4.480 0.000 0.000 0.261 302 M C 2.420 178.598 176.300 -0.204 0.000 1.067 302 M CA 1.764 56.948 55.300 -0.193 0.000 1.116 302 M CB -0.360 32.169 32.600 -0.119 0.000 1.348 302 M HN 0.211 nan 8.290 nan 0.000 0.407 303 H N 0.042 118.554 119.070 -0.929 0.000 2.421 303 H HA -0.072 4.484 4.556 0.000 0.000 0.298 303 H C 1.581 176.692 175.328 -0.362 0.000 1.087 303 H CA 1.761 57.249 56.048 -0.933 0.000 1.330 303 H CB 0.083 28.991 29.762 -1.422 0.000 1.388 303 H HN 0.550 nan 8.280 nan 0.000 0.526 304 A N 0.337 122.897 122.820 -0.433 0.000 2.167 304 A HA -0.041 4.279 4.320 0.000 0.000 0.214 304 A C 0.380 177.560 177.584 -0.672 0.000 1.151 304 A CA 0.390 52.104 52.037 -0.539 0.000 0.735 304 A CB -0.073 18.550 19.000 -0.628 0.000 0.802 304 A HN 0.488 nan 8.150 nan 0.000 0.467 305 H N -0.688 118.317 119.070 -0.109 0.000 2.336 305 H HA 0.185 4.741 4.556 0.000 0.000 0.230 305 H C -2.132 173.462 175.328 0.443 0.000 1.426 305 H CA -1.387 54.715 56.048 0.089 0.000 1.359 305 H CB 0.665 30.378 29.762 -0.081 0.000 1.555 305 H HN 0.339 nan 8.280 nan 0.000 0.512 306 P HA -0.029 nan 4.420 nan 0.000 0.219 306 P C 0.827 178.379 177.300 0.420 0.000 1.150 306 P CA 0.575 63.913 63.100 0.396 0.000 0.814 306 P CB 0.676 32.475 31.700 0.165 0.000 0.787 307 A N -0.603 122.440 122.820 0.371 0.000 2.252 307 A HA 0.269 4.589 4.320 0.000 0.000 0.305 307 A C -0.490 176.947 177.584 -0.245 0.000 1.097 307 A CA -0.510 51.672 52.037 0.242 0.000 0.849 307 A CB -0.288 18.906 19.000 0.323 0.000 1.142 307 A HN 0.021 nan 8.150 nan 0.000 0.499 308 Y N 2.031 121.666 120.300 -1.110 0.000 2.889 308 Y HA 0.164 4.714 4.550 0.000 0.000 0.367 308 Y C 0.273 175.914 175.900 -0.431 0.000 1.197 308 Y CA -1.045 56.254 58.100 -1.336 0.000 1.993 308 Y CB -1.108 36.308 38.460 -1.740 0.000 2.112 308 Y HN 0.770 nan 8.280 nan 0.000 0.413 309 D N -0.287 119.979 120.400 -0.223 0.000 2.453 309 D HA 0.229 4.869 4.640 0.000 0.000 0.282 309 D C 1.580 177.726 176.300 -0.257 0.000 1.222 309 D CA 0.120 54.028 54.000 -0.153 0.000 1.079 309 D CB -0.045 40.766 40.800 0.017 0.000 1.128 309 D HN 0.165 nan 8.370 nan 0.000 0.568 310 A N -1.019 121.695 122.820 -0.176 0.000 1.978 310 A HA -0.124 4.196 4.320 0.000 0.000 0.220 310 A C 1.974 179.402 177.584 -0.260 0.000 1.170 310 A CA 1.319 53.239 52.037 -0.196 0.000 0.636 310 A CB -1.240 17.689 19.000 -0.118 0.000 0.810 310 A HN 0.531 nan 8.150 nan 0.000 0.448 311 F N -1.138 118.487 119.950 -0.540 0.000 2.171 311 F HA -0.142 4.385 4.527 0.000 0.000 0.300 311 F C 1.810 177.220 175.800 -0.650 0.000 1.090 311 F CA 1.600 59.142 58.000 -0.763 0.000 1.293 311 F CB -0.303 37.825 39.000 -1.452 0.000 1.013 311 F HN 0.412 nan 8.300 nan 0.000 0.486 312 W N 0.057 121.142 121.300 -0.359 0.000 2.539 312 W HA 0.048 4.708 4.660 0.000 0.000 0.281 312 W C 2.462 178.694 176.519 -0.477 0.000 1.220 312 W CA 0.360 57.487 57.345 -0.363 0.000 1.332 312 W CB -0.528 28.770 29.460 -0.271 0.000 1.095 312 W HN -0.086 nan 8.180 nan 0.000 0.571 313 Q N -0.075 119.428 119.800 -0.494 0.000 2.170 313 Q HA -0.094 4.246 4.340 0.000 0.000 0.203 313 Q C 2.304 178.190 176.000 -0.191 0.000 0.976 313 Q CA 1.394 56.925 55.803 -0.454 0.000 0.858 313 Q CB -0.637 27.827 28.738 -0.457 0.000 0.907 313 Q HN 0.358 nan 8.270 nan 0.000 0.433 314 G N -0.051 108.627 108.800 -0.204 0.000 2.848 314 G HA2 -0.152 3.808 3.960 0.000 0.000 0.208 314 G HA3 -0.152 3.808 3.960 0.000 0.000 0.208 314 G C 0.852 175.691 174.900 -0.101 0.000 1.152 314 G CA 0.062 45.076 45.100 -0.144 0.000 0.789 314 G HN 0.272 nan 8.290 nan 0.000 0.531 315 Q N -0.701 119.059 119.800 -0.067 0.000 2.164 315 Q HA 0.317 4.657 4.340 0.000 0.000 0.226 315 Q C 0.760 176.859 176.000 0.164 0.000 0.813 315 Q CA -0.329 55.502 55.803 0.048 0.000 0.978 315 Q CB 1.322 30.078 28.738 0.029 0.000 1.149 315 Q HN 0.305 nan 8.270 nan 0.000 0.489 316 A N 1.586 124.490 122.820 0.141 0.000 2.666 316 A HA 0.169 4.489 4.320 0.000 0.000 0.301 316 A C 1.034 178.726 177.584 0.180 0.000 1.470 316 A CA -0.038 52.117 52.037 0.196 0.000 1.159 316 A CB -0.367 18.761 19.000 0.213 0.000 1.116 316 A HN 0.377 nan 8.150 nan 0.000 0.548 317 L N 1.097 122.444 121.223 0.208 0.000 2.191 317 L HA -0.169 4.171 4.340 0.000 0.000 0.212 317 L C 2.144 179.119 176.870 0.175 0.000 1.103 317 L CA 1.360 56.317 54.840 0.194 0.000 0.769 317 L CB -0.518 41.681 42.059 0.233 0.000 0.908 317 L HN 0.796 nan 8.230 nan 0.000 0.438 318 D N 0.429 120.938 120.400 0.181 0.000 2.144 318 D HA -0.212 4.428 4.640 0.000 0.000 0.200 318 D C 1.893 178.258 176.300 0.108 0.000 0.978 318 D CA 1.269 55.346 54.000 0.127 0.000 0.833 318 D CB -0.147 40.749 40.800 0.159 0.000 0.961 318 D HN 0.175 nan 8.370 nan 0.000 0.470 319 K N 0.163 120.643 120.400 0.133 0.000 2.062 319 K HA 0.157 4.477 4.320 0.000 0.000 0.205 319 K C 2.364 179.017 176.600 0.088 0.000 1.051 319 K CA 0.526 56.878 56.287 0.108 0.000 0.941 319 K CB -0.108 32.464 32.500 0.121 0.000 0.719 319 K HN 0.172 nan 8.250 nan 0.000 0.440 320 I N 0.346 120.973 120.570 0.095 0.000 2.252 320 I HA -0.229 3.941 4.170 0.000 0.000 0.245 320 I C 2.015 178.185 176.117 0.088 0.000 1.102 320 I CA 0.631 61.981 61.300 0.083 0.000 1.385 320 I CB -0.136 37.915 38.000 0.085 0.000 1.064 320 I HN 0.088 nan 8.210 nan 0.000 0.414 321 L N 1.143 122.430 121.223 0.107 0.000 2.093 321 L HA -0.082 4.258 4.340 0.000 0.000 0.208 321 L C 2.525 179.453 176.870 0.096 0.000 1.085 321 L CA 1.926 56.840 54.840 0.122 0.000 0.755 321 L CB -0.762 41.404 42.059 0.178 0.000 0.904 321 L HN 0.180 nan 8.230 nan 0.000 0.435 322 A N -1.357 121.505 122.820 0.071 0.000 1.972 322 A HA -0.232 4.088 4.320 0.000 0.000 0.219 322 A C 2.182 179.792 177.584 0.044 0.000 1.169 322 A CA 1.646 53.709 52.037 0.044 0.000 0.635 322 A CB -0.450 18.564 19.000 0.023 0.000 0.810 322 A HN 0.635 nan 8.150 nan 0.000 0.446 323 Q N -1.422 118.409 119.800 0.051 0.000 2.172 323 Q HA -0.058 4.282 4.340 0.000 0.000 0.200 323 Q C 2.167 178.196 176.000 0.047 0.000 0.964 323 Q CA 1.128 56.959 55.803 0.045 0.000 0.855 323 Q CB -0.006 28.759 28.738 0.046 0.000 0.918 323 Q HN 0.473 nan 8.270 nan 0.000 0.444 324 R N 0.887 121.422 120.500 0.059 0.000 2.200 324 R HA 0.043 4.383 4.340 0.000 0.000 0.208 324 R C -0.397 175.939 176.300 0.060 0.000 1.033 324 R CA 0.319 56.455 56.100 0.061 0.000 1.000 324 R CB 0.329 30.672 30.300 0.072 0.000 0.906 324 R HN -0.010 nan 8.270 nan 0.000 0.462 325 K N 1.157 121.595 120.400 0.063 0.000 4.856 325 K HA -0.127 4.193 4.320 0.000 0.000 0.306 325 K C -2.366 174.276 176.600 0.070 0.000 0.895 325 K CA 0.443 56.767 56.287 0.062 0.000 0.963 325 K CB -1.351 31.176 32.500 0.044 0.000 1.737 325 K HN 0.279 nan 8.250 nan 0.000 0.424 326 P HA -0.031 nan 4.420 nan 0.000 0.269 326 P C 0.822 178.165 177.300 0.072 0.000 1.215 326 P CA 0.228 63.381 63.100 0.089 0.000 0.780 326 P CB 0.588 32.361 31.700 0.122 0.000 0.898 327 T N -2.777 111.804 114.554 0.046 0.000 3.044 327 T HA 0.157 4.507 4.350 0.000 0.000 0.260 327 T C 0.619 175.313 174.700 -0.009 0.000 1.019 327 T CA -0.145 61.971 62.100 0.027 0.000 0.921 327 T CB -0.189 68.691 68.868 0.019 0.000 1.053 327 T HN 0.094 nan 8.240 nan 0.000 0.533 328 V N 4.054 123.957 119.914 -0.018 0.000 2.488 328 V HA 0.308 4.428 4.120 0.000 0.000 0.277 328 V C -2.254 173.790 176.094 -0.084 0.000 1.046 328 V CA -2.046 60.200 62.300 -0.090 0.000 0.986 328 V CB 0.928 32.703 31.823 -0.080 0.000 0.989 328 V HN 0.227 nan 8.190 nan 0.000 0.475 329 P HA 0.127 nan 4.420 nan 0.000 0.262 329 P C -0.552 176.810 177.300 0.102 0.000 1.182 329 P CA 0.566 63.606 63.100 -0.101 0.000 0.761 329 P CB 0.279 31.590 31.700 -0.648 0.000 0.795 330 M N 2.984 122.741 119.600 0.262 0.000 2.464 330 M HA 0.437 4.917 4.480 0.000 0.000 0.308 330 M C -0.567 175.792 176.300 0.099 0.000 1.127 330 M CA -0.540 54.838 55.300 0.130 0.000 0.913 330 M CB 2.265 34.882 32.600 0.028 0.000 1.689 330 M HN 0.119 nan 8.290 nan 0.000 0.445 331 L N 2.442 123.626 121.223 -0.064 0.000 2.345 331 L HA 0.462 4.802 4.340 0.000 0.000 0.274 331 L C -1.796 174.943 176.870 -0.218 0.000 0.999 331 L CA -0.293 54.456 54.840 -0.152 0.000 0.849 331 L CB 0.986 42.965 42.059 -0.134 0.000 1.220 331 L HN 0.750 nan 8.230 nan 0.000 0.422 332 W N 3.888 125.166 121.300 -0.036 0.000 2.365 332 W HA 0.461 5.121 4.660 0.000 0.000 0.316 332 W C 0.407 176.836 176.519 -0.150 0.000 1.164 332 W CA -0.124 57.199 57.345 -0.036 0.000 1.204 332 W CB 1.127 30.612 29.460 0.041 0.000 1.213 332 W HN 0.306 nan 8.180 nan 0.000 0.539 333 E N 3.315 123.574 120.200 0.100 0.000 2.340 333 E HA 0.361 4.711 4.350 0.000 0.000 0.273 333 E C -1.295 175.341 176.600 0.060 0.000 0.891 333 E CA -0.690 55.694 56.400 -0.027 0.000 0.757 333 E CB 2.304 31.904 29.700 -0.166 0.000 1.231 333 E HN 0.684 nan 8.360 nan 0.000 0.439 334 Q N 1.251 121.079 119.800 0.047 0.000 2.578 334 Q HA 0.631 4.971 4.340 0.000 0.000 0.284 334 Q C -0.845 175.215 176.000 0.099 0.000 0.960 334 Q CA -1.120 54.742 55.803 0.099 0.000 0.809 334 Q CB 0.895 29.687 28.738 0.089 0.000 1.462 334 Q HN 0.471 nan 8.270 nan 0.000 0.392 335 G N 0.988 109.886 108.800 0.162 0.000 2.444 335 G HA2 0.384 4.344 3.960 0.000 0.000 0.268 335 G HA3 0.384 4.344 3.960 0.000 0.000 0.268 335 G C 0.321 175.166 174.900 -0.092 0.000 1.203 335 G CA -0.851 44.320 45.100 0.118 0.000 0.835 335 G HN 0.648 nan 8.290 nan 0.000 0.543 336 L N 0.381 121.412 121.223 -0.319 0.000 2.275 336 L HA 0.011 4.351 4.340 0.000 0.000 0.215 336 L C 1.083 177.638 176.870 -0.525 0.000 1.119 336 L CA 0.713 55.235 54.840 -0.530 0.000 0.790 336 L CB 0.032 41.557 42.059 -0.889 0.000 0.919 336 L HN 0.549 nan 8.230 nan 0.000 0.443 337 W N -0.019 121.213 121.300 -0.114 0.000 2.159 337 W HA 0.200 4.860 4.660 0.000 0.000 0.375 337 W C 0.042 176.506 176.519 -0.092 0.000 0.794 337 W CA -0.966 56.305 57.345 -0.123 0.000 2.716 337 W CB 0.003 29.379 29.460 -0.139 0.000 1.583 337 W HN -0.061 nan 8.180 nan 0.000 0.702 338 D N 2.494 122.966 120.400 0.120 0.000 2.349 338 D HA -0.054 4.586 4.640 0.000 0.000 0.266 338 D C 1.572 177.928 176.300 0.094 0.000 1.293 338 D CA 0.587 54.681 54.000 0.157 0.000 0.926 338 D CB 1.009 41.921 40.800 0.186 0.000 1.090 338 D HN 0.173 nan 8.370 nan 0.000 0.502 339 Q N 2.646 122.450 119.800 0.007 0.000 2.444 339 Q HA -0.034 4.306 4.340 0.000 0.000 0.206 339 Q C 0.176 176.189 176.000 0.023 0.000 0.948 339 Q CA 0.817 56.545 55.803 -0.126 0.000 0.946 339 Q CB 0.309 28.748 28.738 -0.499 0.000 1.027 339 Q HN 0.590 nan 8.270 nan 0.000 0.513 340 E N -0.051 120.160 120.200 0.018 0.000 2.441 340 E HA 0.124 4.474 4.350 0.000 0.000 0.207 340 E C -0.326 176.244 176.600 -0.050 0.000 0.803 340 E CA 0.073 56.413 56.400 -0.100 0.000 1.240 340 E CB 0.777 30.136 29.700 -0.568 0.000 1.233 340 E HN 0.251 nan 8.360 nan 0.000 0.590 341 D N 0.818 121.265 120.400 0.079 0.000 2.656 341 D HA 0.116 4.756 4.640 0.000 0.000 0.303 341 D C 0.255 176.676 176.300 0.202 0.000 1.199 341 D CA -0.004 54.086 54.000 0.150 0.000 0.797 341 D CB 1.215 42.139 40.800 0.207 0.000 1.170 341 D HN 0.023 nan 8.370 nan 0.000 0.509 342 M N 0.221 119.936 119.600 0.192 0.000 2.349 342 M HA 0.037 4.517 4.480 0.000 0.000 0.266 342 M C 1.581 178.000 176.300 0.198 0.000 1.076 342 M CA 1.130 56.534 55.300 0.174 0.000 1.126 342 M CB 0.140 32.849 32.600 0.181 0.000 1.392 342 M HN 0.395 nan 8.290 nan 0.000 0.440 343 W N 0.340 121.635 121.300 -0.009 0.000 2.441 343 W HA 0.048 4.708 4.660 0.000 0.000 0.302 343 W C 1.724 178.333 176.519 0.149 0.000 1.191 343 W CA 1.599 58.953 57.345 0.015 0.000 1.327 343 W CB -0.945 28.365 29.460 -0.251 0.000 1.128 343 W HN 0.312 nan 8.180 nan 0.000 0.522 344 G N 1.515 110.525 108.800 0.351 0.000 2.875 344 G HA2 -0.429 3.531 3.960 0.000 0.000 0.220 344 G HA3 -0.429 3.531 3.960 0.000 0.000 0.220 344 G C 1.650 176.666 174.900 0.192 0.000 1.293 344 G CA 2.769 48.043 45.100 0.290 0.000 0.789 344 G HN 0.401 nan 8.290 nan 0.000 0.677 345 A N 0.267 123.214 122.820 0.211 0.000 1.873 345 A HA -0.087 4.233 4.320 0.000 0.000 0.218 345 A C 2.527 180.110 177.584 -0.001 0.000 1.193 345 A CA 2.047 54.203 52.037 0.197 0.000 0.629 345 A CB -0.579 18.578 19.000 0.261 0.000 0.826 345 A HN 0.644 nan 8.150 nan 0.000 0.447 346 I N -1.579 118.986 120.570 -0.009 0.000 2.226 346 I HA -0.290 3.880 4.170 0.000 0.000 0.245 346 I C 2.317 178.367 176.117 -0.111 0.000 1.100 346 I CA 2.065 63.338 61.300 -0.044 0.000 1.374 346 I CB -0.145 37.787 38.000 -0.114 0.000 1.057 346 I HN 0.502 nan 8.210 nan 0.000 0.413 347 H N 0.193 119.127 119.070 -0.228 0.000 2.395 347 H HA 0.044 4.600 4.556 0.000 0.000 0.299 347 H C 2.204 177.405 175.328 -0.211 0.000 1.070 347 H CA 1.370 57.245 56.048 -0.288 0.000 1.356 347 H CB -0.160 29.273 29.762 -0.548 0.000 1.401 347 H HN 0.444 nan 8.280 nan 0.000 0.524 348 A N 0.285 122.995 122.820 -0.182 0.000 1.873 348 A HA -0.180 4.140 4.320 0.000 0.000 0.215 348 A C 2.122 179.335 177.584 -0.620 0.000 1.186 348 A CA 1.365 53.141 52.037 -0.435 0.000 0.616 348 A CB -1.132 17.400 19.000 -0.780 0.000 0.823 348 A HN 0.685 nan 8.150 nan 0.000 0.442 349 W N 0.715 121.454 121.300 -0.935 0.000 2.358 349 W HA -0.231 4.429 4.660 0.000 0.000 0.303 349 W C 2.163 178.500 176.519 -0.303 0.000 1.208 349 W CA 2.192 59.108 57.345 -0.715 0.000 1.274 349 W CB -0.244 28.915 29.460 -0.500 0.000 1.138 349 W HN 0.391 nan 8.180 nan 0.000 0.515 350 Q N 0.943 120.546 119.800 -0.327 0.000 2.119 350 Q HA -0.095 4.245 4.340 0.000 0.000 0.201 350 Q C 2.254 178.024 176.000 -0.383 0.000 0.972 350 Q CA 2.627 58.122 55.803 -0.513 0.000 0.847 350 Q CB -0.904 27.693 28.738 -0.235 0.000 0.903 350 Q HN 0.297 nan 8.270 nan 0.000 0.433 351 A N 0.085 122.760 122.820 -0.243 0.000 1.933 351 A HA -0.124 4.196 4.320 0.000 0.000 0.218 351 A C 2.083 179.570 177.584 -0.160 0.000 1.175 351 A CA 1.399 53.349 52.037 -0.144 0.000 0.628 351 A CB -0.718 18.245 19.000 -0.061 0.000 0.814 351 A HN 0.455 nan 8.150 nan 0.000 0.444 352 L N -1.019 120.075 121.223 -0.214 0.000 2.093 352 L HA -0.143 4.197 4.340 0.000 0.000 0.208 352 L C 2.618 179.368 176.870 -0.198 0.000 1.085 352 L CA 1.568 56.319 54.840 -0.148 0.000 0.755 352 L CB -0.379 41.631 42.059 -0.082 0.000 0.904 352 L HN 0.386 nan 8.230 nan 0.000 0.435 353 K N 0.018 120.190 120.400 -0.381 0.000 2.057 353 K HA -0.177 4.143 4.320 0.000 0.000 0.206 353 K C 1.548 178.010 176.600 -0.229 0.000 1.050 353 K CA 1.463 57.524 56.287 -0.376 0.000 0.935 353 K CB 0.059 32.154 32.500 -0.676 0.000 0.715 353 K HN 0.244 nan 8.250 nan 0.000 0.439 354 D N -0.038 120.235 120.400 -0.212 0.000 2.269 354 D HA -0.087 4.553 4.640 0.000 0.000 0.208 354 D C 1.272 177.525 176.300 -0.079 0.000 0.963 354 D CA 0.771 54.694 54.000 -0.129 0.000 0.864 354 D CB 0.119 40.854 40.800 -0.109 0.000 0.936 354 D HN 0.239 nan 8.370 nan 0.000 0.505 355 A N 0.282 123.057 122.820 -0.075 0.000 2.251 355 A HA -0.002 4.318 4.320 0.000 0.000 0.209 355 A C 0.051 177.619 177.584 -0.026 0.000 1.187 355 A CA 0.058 52.074 52.037 -0.036 0.000 0.823 355 A CB 0.123 19.111 19.000 -0.020 0.000 0.846 355 A HN -0.008 nan 8.150 nan 0.000 0.486 356 D N 0.067 120.442 120.400 -0.042 0.000 2.746 356 D HA -0.126 4.514 4.640 0.000 0.000 0.241 356 D C 0.210 176.510 176.300 0.000 0.000 1.140 356 D CA 1.050 55.037 54.000 -0.022 0.000 0.707 356 D CB -2.076 38.718 40.800 -0.010 0.000 1.034 356 D HN 0.625 nan 8.370 nan 0.000 0.423 357 V N -1.921 117.994 119.914 0.002 0.000 2.655 357 V HA 0.119 4.239 4.120 0.000 0.000 0.300 357 V C 1.102 177.226 176.094 0.049 0.000 1.044 357 V CA 0.013 62.333 62.300 0.034 0.000 1.095 357 V CB 1.129 32.986 31.823 0.056 0.000 0.952 357 V HN 0.099 nan 8.190 nan 0.000 0.485 358 K N 3.394 123.827 120.400 0.054 0.000 3.129 358 K HA 0.680 5.000 4.320 0.000 0.000 0.241 358 K C -0.016 176.629 176.600 0.074 0.000 1.239 358 K CA 0.380 56.703 56.287 0.061 0.000 1.239 358 K CB 0.591 33.120 32.500 0.050 0.000 1.347 358 K HN 0.998 nan 8.250 nan 0.000 0.435 359 A N 1.005 123.881 122.820 0.093 0.000 2.594 359 A HA 0.524 4.844 4.320 0.000 0.000 0.295 359 A C -2.866 174.815 177.584 0.162 0.000 1.071 359 A CA -1.696 50.404 52.037 0.105 0.000 0.685 359 A CB 0.858 19.904 19.000 0.076 0.000 1.285 359 A HN 0.031 nan 8.150 nan 0.000 0.405 360 P HA 0.138 nan 4.420 nan 0.000 0.260 360 P C -0.792 176.693 177.300 0.307 0.000 1.172 360 P CA 0.775 64.054 63.100 0.298 0.000 0.760 360 P CB 0.191 32.167 31.700 0.461 0.000 0.773 361 N N 1.875 120.766 118.700 0.319 0.000 2.675 361 N HA 0.210 4.950 4.740 0.000 0.000 0.254 361 N C -1.493 174.357 175.510 0.566 0.000 1.224 361 N CA -0.274 53.040 53.050 0.441 0.000 0.777 361 N CB 0.648 39.344 38.487 0.348 0.000 1.256 361 N HN 0.043 nan 8.380 nan 0.000 0.531 362 T N 2.244 117.029 114.554 0.385 0.000 2.823 362 T HA 0.451 4.801 4.350 0.000 0.000 0.279 362 T C -0.746 173.918 174.700 -0.060 0.000 0.998 362 T CA -0.427 61.772 62.100 0.166 0.000 0.994 362 T CB 1.154 69.986 68.868 -0.060 0.000 0.960 362 T HN 0.334 nan 8.240 nan 0.000 0.448 363 L N 4.666 125.558 121.223 -0.551 0.000 2.295 363 L HA 0.750 5.090 4.340 0.000 0.000 0.285 363 L C -1.117 175.429 176.870 -0.539 0.000 1.035 363 L CA -0.341 54.048 54.840 -0.753 0.000 0.806 363 L CB 1.098 42.184 42.059 -1.621 0.000 1.214 363 L HN 0.419 nan 8.230 nan 0.000 0.426 364 V N 6.604 126.283 119.914 -0.393 0.000 2.487 364 V HA 0.550 4.670 4.120 0.000 0.000 0.298 364 V C -0.241 175.650 176.094 -0.338 0.000 1.028 364 V CA -0.434 61.633 62.300 -0.388 0.000 0.860 364 V CB 1.678 33.226 31.823 -0.459 0.000 0.991 364 V HN 0.796 nan 8.190 nan 0.000 0.427 365 M N 4.077 123.461 119.600 -0.359 0.000 2.151 365 M HA 0.596 5.076 4.480 0.000 0.000 0.290 365 M C 0.214 176.142 176.300 -0.620 0.000 0.965 365 M CA -0.208 54.845 55.300 -0.411 0.000 0.930 365 M CB 2.129 34.474 32.600 -0.425 0.000 1.560 365 M HN 0.758 nan 8.290 nan 0.000 0.438 366 G N 2.217 110.295 108.800 -1.203 0.000 2.601 366 G HA2 0.734 4.694 3.960 0.000 0.000 0.317 366 G HA3 0.734 4.694 3.960 0.000 0.000 0.317 366 G C -2.765 171.100 174.900 -1.725 0.000 1.246 366 G CA -1.358 42.510 45.100 -2.053 0.000 1.012 366 G HN 0.415 nan 8.290 nan 0.000 0.494 367 P HA 0.174 nan 4.420 nan 0.000 0.220 367 P C -0.994 175.938 177.300 -0.613 0.000 1.806 367 P CA -0.063 62.334 63.100 -1.171 0.000 0.976 367 P CB -0.146 30.337 31.700 -2.027 0.000 1.952 368 W N 1.967 123.221 121.300 -0.077 0.000 2.902 368 W HA 0.423 5.083 4.660 0.000 0.000 0.346 368 W C 0.676 177.268 176.519 0.122 0.000 1.139 368 W CA -0.819 56.546 57.345 0.033 0.000 1.139 368 W CB 0.792 30.245 29.460 -0.011 0.000 1.439 368 W HN 0.049 nan 8.180 nan 0.000 0.558 369 R N -0.252 120.459 120.500 0.352 0.000 2.519 369 R HA 0.357 4.697 4.340 0.000 0.000 0.244 369 R C -0.079 176.366 176.300 0.243 0.000 1.241 369 R CA -0.722 55.515 56.100 0.228 0.000 1.120 369 R CB -0.328 30.043 30.300 0.119 0.000 1.333 369 R HN 0.368 nan 8.270 nan 0.000 0.587 370 H N -0.041 119.097 119.070 0.113 0.000 3.107 370 H HA 0.034 4.590 4.556 0.000 0.000 0.301 370 H C -0.288 175.140 175.328 0.166 0.000 0.981 370 H CA 1.488 57.619 56.048 0.139 0.000 1.443 370 H CB 0.077 29.919 29.762 0.132 0.000 1.479 370 H HN 0.698 nan 8.280 nan 0.000 0.564 371 S N 1.903 117.403 115.700 -0.334 0.000 3.270 371 S HA -0.239 4.231 4.470 0.000 0.000 0.293 371 S C 1.838 176.468 174.600 0.050 0.000 1.278 371 S CA 0.879 58.965 58.200 -0.191 0.000 1.038 371 S CB -1.666 61.416 63.200 -0.196 0.000 1.218 371 S HN 1.030 nan 8.310 nan 0.000 0.659 372 G N 0.430 109.266 108.800 0.060 0.000 2.470 372 G HA2 -0.089 3.871 3.960 0.000 0.000 0.220 372 G HA3 -0.089 3.871 3.960 0.000 0.000 0.220 372 G C 1.217 175.893 174.900 -0.373 0.000 1.121 372 G CA 0.936 46.062 45.100 0.043 0.000 0.766 372 G HN 0.673 nan 8.290 nan 0.000 0.553 373 V N 1.052 120.589 119.914 -0.627 0.000 2.688 373 V HA -0.098 4.023 4.120 0.000 0.000 0.256 373 V C 1.653 177.451 176.094 -0.494 0.000 1.084 373 V CA 1.752 63.451 62.300 -1.002 0.000 1.103 373 V CB -0.285 31.089 31.823 -0.748 0.000 0.688 373 V HN 0.346 nan 8.190 nan 0.000 0.480 374 N N -1.378 117.097 118.700 -0.374 0.000 2.268 374 N HA 0.154 4.894 4.740 0.000 0.000 0.204 374 N C -0.231 174.796 175.510 -0.805 0.000 1.124 374 N CA 0.235 52.981 53.050 -0.507 0.000 0.838 374 N CB 0.367 38.525 38.487 -0.548 0.000 0.994 374 N HN 0.610 nan 8.380 nan 0.000 0.489 375 Y N -0.558 119.668 120.300 -0.123 0.000 3.345 375 Y HA 0.307 4.857 4.550 0.000 0.000 0.279 375 Y C 0.520 176.388 175.900 -0.053 0.000 1.980 375 Y CA -1.105 56.956 58.100 -0.065 0.000 0.912 375 Y CB 0.176 38.610 38.460 -0.044 0.000 1.460 375 Y HN -0.233 nan 8.280 nan 0.000 0.605 376 N N 0.510 119.322 118.700 0.187 0.000 2.422 376 N HA 0.239 4.979 4.740 0.000 0.000 0.266 376 N C -0.245 175.359 175.510 0.157 0.000 1.007 376 N CA 0.098 53.226 53.050 0.131 0.000 0.941 376 N CB 1.525 40.077 38.487 0.110 0.000 1.115 376 N HN 0.863 nan 8.380 nan 0.000 0.492 377 G N 1.210 110.132 108.800 0.203 0.000 3.820 377 G HA2 0.002 3.962 3.960 0.000 0.000 0.293 377 G HA3 0.002 3.962 3.960 0.000 0.000 0.293 377 G C 1.015 176.149 174.900 0.390 0.000 1.152 377 G CA -0.207 45.112 45.100 0.365 0.000 0.921 377 G HN 0.588 nan 8.290 nan 0.000 0.544 378 S N -0.443 115.428 115.700 0.286 0.000 2.478 378 S HA 0.130 4.600 4.470 0.000 0.000 0.222 378 S C 1.184 175.904 174.600 0.199 0.000 1.008 378 S CA 0.773 59.122 58.200 0.248 0.000 0.928 378 S CB 0.057 63.341 63.200 0.140 0.000 0.781 378 S HN 0.566 nan 8.310 nan 0.000 0.518 379 T N -1.020 113.643 114.554 0.183 0.000 2.841 379 T HA 0.726 5.076 4.350 0.000 0.000 0.296 379 T C -1.586 173.184 174.700 0.117 0.000 1.166 379 T CA -0.852 61.221 62.100 -0.046 0.000 1.007 379 T CB 1.755 70.566 68.868 -0.095 0.000 1.253 379 T HN 0.322 nan 8.240 nan 0.000 0.511 380 L N 1.112 122.297 121.223 -0.064 0.000 2.753 380 L HA 0.606 4.946 4.340 0.000 0.000 0.259 380 L C 0.528 177.288 176.870 -0.183 0.000 0.958 380 L CA 1.489 56.322 54.840 -0.012 0.000 0.955 380 L CB 0.825 42.976 42.059 0.153 0.000 1.317 380 L HN 1.631 nan 8.230 nan 0.000 0.436 381 G N 5.592 114.309 108.800 -0.138 0.000 2.556 381 G HA2 -0.262 3.698 3.960 0.000 0.000 0.283 381 G HA3 -0.262 3.698 3.960 0.000 0.000 0.283 381 G C -1.713 173.083 174.900 -0.173 0.000 1.177 381 G CA 0.228 45.240 45.100 -0.145 0.000 0.978 381 G HN 0.618 nan 8.290 nan 0.000 0.554 382 P HA 0.278 nan 4.420 nan 0.000 0.255 382 P C 0.797 177.893 177.300 -0.339 0.000 1.248 382 P CA 0.213 63.167 63.100 -0.243 0.000 0.807 382 P CB 0.048 31.591 31.700 -0.262 0.000 1.150 383 L N 0.545 121.514 121.223 -0.424 0.000 2.397 383 L HA 0.259 4.599 4.340 0.000 0.000 0.271 383 L C 0.538 176.951 176.870 -0.762 0.000 1.148 383 L CA -0.027 54.463 54.840 -0.583 0.000 0.825 383 L CB 0.384 42.053 42.059 -0.649 0.000 1.117 383 L HN -0.125 nan 8.230 nan 0.000 0.456 384 E N 2.133 121.893 120.200 -0.733 0.000 2.224 384 E HA 0.481 4.831 4.350 0.000 0.000 0.265 384 E C -1.339 174.916 176.600 -0.575 0.000 0.878 384 E CA -0.498 55.543 56.400 -0.598 0.000 0.759 384 E CB 1.834 31.372 29.700 -0.271 0.000 1.164 384 E HN 0.206 nan 8.360 nan 0.000 0.414 385 F N 0.530 120.476 119.950 -0.008 0.000 2.518 385 F HA 0.296 4.823 4.527 0.000 0.000 0.338 385 F C 1.002 176.835 175.800 0.055 0.000 1.065 385 F CA -1.090 56.918 58.000 0.013 0.000 1.012 385 F CB 0.685 39.585 39.000 -0.165 0.000 1.297 385 F HN 0.206 nan 8.300 nan 0.000 0.489 386 E N 1.754 122.159 120.200 0.341 0.000 1.802 386 E HA 0.390 4.740 4.350 0.000 0.000 0.265 386 E C 0.534 177.270 176.600 0.227 0.000 1.168 386 E CA 0.180 56.723 56.400 0.237 0.000 1.033 386 E CB -0.156 29.680 29.700 0.227 0.000 1.095 386 E HN 0.785 nan 8.360 nan 0.000 0.436 387 G N 3.067 111.979 108.800 0.186 0.000 2.796 387 G HA2 -0.252 3.708 3.960 0.000 0.000 0.571 387 G HA3 -0.252 3.708 3.960 0.000 0.000 0.571 387 G C -0.412 174.619 174.900 0.220 0.000 1.370 387 G CA -0.603 44.608 45.100 0.186 0.000 0.856 387 G HN 0.478 nan 8.290 nan 0.000 0.538 388 D N 0.875 121.407 120.400 0.221 0.000 2.441 388 D HA 0.333 4.973 4.640 0.000 0.000 0.243 388 D C 2.189 178.696 176.300 0.345 0.000 1.257 388 D CA 0.850 55.001 54.000 0.252 0.000 1.027 388 D CB -0.066 40.857 40.800 0.206 0.000 1.084 388 D HN 0.761 nan 8.370 nan 0.000 0.514 389 T N 0.557 115.343 114.554 0.386 0.000 2.833 389 T HA -0.164 4.187 4.350 0.000 0.000 0.269 389 T C 1.834 177.007 174.700 0.788 0.000 1.054 389 T CA 1.002 63.446 62.100 0.574 0.000 1.135 389 T CB -0.070 68.913 68.868 0.192 0.000 0.869 389 T HN 0.247 nan 8.240 nan 0.000 0.466 390 A N 1.527 124.675 122.820 0.547 0.000 1.873 390 A HA -0.082 4.238 4.320 0.000 0.000 0.215 390 A C 2.237 179.931 177.584 0.183 0.000 1.186 390 A CA 1.935 54.047 52.037 0.124 0.000 0.616 390 A CB -1.276 17.563 19.000 -0.269 0.000 0.823 390 A HN 0.733 nan 8.150 nan 0.000 0.442 391 H N -0.379 118.754 119.070 0.106 0.000 2.387 391 H HA -0.084 4.472 4.556 0.000 0.000 0.299 391 H C 2.098 177.464 175.328 0.064 0.000 1.090 391 H CA 2.091 58.167 56.048 0.047 0.000 1.332 391 H CB -0.191 29.593 29.762 0.036 0.000 1.386 391 H HN 0.587 nan 8.280 nan 0.000 0.516 392 Q N -0.965 118.906 119.800 0.118 0.000 2.061 392 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 392 Q C 2.013 177.965 176.000 -0.080 0.000 0.984 392 Q CA 1.953 57.785 55.803 0.050 0.000 0.846 392 Q CB -0.358 28.564 28.738 0.306 0.000 0.902 392 Q HN 0.686 nan 8.270 nan 0.000 0.421 393 Y N 0.938 121.189 120.300 -0.081 0.000 2.145 393 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 393 Y C 2.128 177.945 175.900 -0.138 0.000 1.145 393 Y CA 1.409 59.389 58.100 -0.200 0.000 1.148 393 Y CB 0.055 38.501 38.460 -0.024 0.000 0.981 393 Y HN -0.083 nan 8.280 nan 0.000 0.507 394 R N 0.072 120.349 120.500 -0.371 0.000 2.091 394 R HA -0.189 4.151 4.340 0.000 0.000 0.238 394 R C 2.542 178.525 176.300 -0.527 0.000 1.136 394 R CA 1.824 57.661 56.100 -0.439 0.000 0.959 394 R CB -0.386 29.779 30.300 -0.225 0.000 0.856 394 R HN 0.388 nan 8.270 nan 0.000 0.437 395 R N 0.583 120.773 120.500 -0.518 0.000 2.075 395 R HA -0.085 4.255 4.340 0.000 0.000 0.226 395 R C 0.853 176.955 176.300 -0.330 0.000 1.114 395 R CA 1.550 57.368 56.100 -0.469 0.000 0.972 395 R CB 0.165 30.126 30.300 -0.565 0.000 0.869 395 R HN 0.122 nan 8.270 nan 0.000 0.437 396 D N -0.482 119.744 120.400 -0.290 0.000 2.327 396 D HA 0.005 4.645 4.640 0.000 0.000 0.205 396 D C 1.531 177.733 176.300 -0.163 0.000 0.989 396 D CA 0.593 54.479 54.000 -0.191 0.000 0.873 396 D CB 0.758 41.469 40.800 -0.147 0.000 0.955 396 D HN 0.119 nan 8.370 nan 0.000 0.515 397 V N 0.057 119.817 119.914 -0.257 0.000 3.134 397 V HA -0.003 4.117 4.120 0.000 0.000 0.222 397 V C 1.759 177.772 176.094 -0.135 0.000 1.247 397 V CA -0.162 62.030 62.300 -0.181 0.000 1.281 397 V CB -0.125 31.598 31.823 -0.166 0.000 1.169 397 V HN -0.044 nan 8.190 nan 0.000 0.512 398 F N 2.514 122.046 119.950 -0.697 0.000 2.025 398 F HA -0.229 4.298 4.527 0.000 0.000 0.297 398 F C 2.620 178.259 175.800 -0.268 0.000 1.132 398 F CA 2.725 60.396 58.000 -0.547 0.000 1.191 398 F CB -0.653 37.808 39.000 -0.898 0.000 0.963 398 F HN 0.122 nan 8.300 nan 0.000 0.481 399 R N 0.743 120.999 120.500 -0.405 0.000 2.080 399 R HA -0.129 4.211 4.340 0.000 0.000 0.236 399 R C -0.839 175.409 176.300 -0.087 0.000 1.137 399 R CA 2.101 57.892 56.100 -0.516 0.000 0.943 399 R CB -1.912 27.976 30.300 -0.687 0.000 0.846 399 R HN 0.204 nan 8.270 nan 0.000 0.431 400 P HA -0.098 nan 4.420 nan 0.000 0.217 400 P C 1.042 178.442 177.300 0.166 0.000 1.150 400 P CA 1.155 64.281 63.100 0.043 0.000 0.832 400 P CB -0.226 31.484 31.700 0.016 0.000 0.787 401 F N -1.206 118.826 119.950 0.136 0.000 2.102 401 F HA -0.203 4.324 4.527 0.000 0.000 0.298 401 F C 1.952 178.012 175.800 0.432 0.000 1.105 401 F CA 1.319 59.481 58.000 0.270 0.000 1.239 401 F CB -0.394 38.822 39.000 0.360 0.000 0.991 401 F HN -0.228 nan 8.300 nan 0.000 0.474 402 F N 1.050 121.143 119.950 0.239 0.000 2.186 402 F HA -0.147 4.380 4.527 0.000 0.000 0.299 402 F C 2.219 178.112 175.800 0.156 0.000 1.090 402 F CA 1.416 59.543 58.000 0.212 0.000 1.307 402 F CB -1.039 38.169 39.000 0.348 0.000 1.019 402 F HN -0.044 nan 8.300 nan 0.000 0.489 403 D N -0.074 120.505 120.400 0.298 0.000 2.149 403 D HA -0.202 4.438 4.640 0.000 0.000 0.198 403 D C 2.217 178.489 176.300 -0.047 0.000 0.990 403 D CA 1.179 55.269 54.000 0.150 0.000 0.839 403 D CB -0.361 40.496 40.800 0.096 0.000 0.948 403 D HN 0.358 nan 8.370 nan 0.000 0.460 404 E N -0.812 119.274 120.200 -0.189 0.000 2.130 404 E HA -0.215 4.135 4.350 0.000 0.000 0.196 404 E C 1.255 177.511 176.600 -0.572 0.000 0.998 404 E CA 1.098 57.219 56.400 -0.465 0.000 0.806 404 E CB -0.009 29.237 29.700 -0.756 0.000 0.738 404 E HN 0.463 nan 8.360 nan 0.000 0.459 405 Y N -1.058 119.126 120.300 -0.193 0.000 2.481 405 Y HA 0.175 4.725 4.550 0.000 0.000 0.258 405 Y C 1.750 177.548 175.900 -0.170 0.000 1.103 405 Y CA -0.018 57.957 58.100 -0.208 0.000 1.287 405 Y CB 0.509 38.782 38.460 -0.312 0.000 1.108 405 Y HN -0.015 nan 8.280 nan 0.000 0.529 406 L N -0.547 120.665 121.223 -0.019 0.000 2.575 406 L HA 0.179 4.519 4.340 0.000 0.000 0.228 406 L C 0.208 177.017 176.870 -0.102 0.000 1.075 406 L CA 0.451 55.260 54.840 -0.052 0.000 0.867 406 L CB 0.283 42.346 42.059 0.006 0.000 1.097 406 L HN -0.146 nan 8.230 nan 0.000 0.485 407 K N 2.288 122.636 120.400 -0.086 0.000 2.527 407 K HA 0.330 4.650 4.320 0.000 0.000 0.240 407 K C -2.499 174.046 176.600 -0.090 0.000 0.989 407 K CA -1.808 54.418 56.287 -0.102 0.000 0.985 407 K CB 1.500 33.948 32.500 -0.087 0.000 1.221 407 K HN -0.189 nan 8.250 nan 0.000 0.458 408 P HA -0.089 nan 4.420 nan 0.000 0.261 408 P C 0.750 178.009 177.300 -0.069 0.000 1.183 408 P CA 0.991 64.046 63.100 -0.076 0.000 0.761 408 P CB 0.638 32.299 31.700 -0.066 0.000 0.785 409 G N 1.814 110.573 108.800 -0.070 0.000 2.195 409 G HA2 -0.208 3.752 3.960 0.000 0.000 0.224 409 G HA3 -0.208 3.752 3.960 0.000 0.000 0.224 409 G C 0.384 175.247 174.900 -0.063 0.000 0.990 409 G CA -0.095 44.970 45.100 -0.059 0.000 0.639 409 G HN 0.595 nan 8.290 nan 0.000 0.514 410 S N 0.742 116.394 115.700 -0.079 0.000 2.585 410 S HA 0.640 5.110 4.470 0.000 0.000 0.273 410 S C 0.956 175.500 174.600 -0.092 0.000 1.339 410 S CA 0.242 58.395 58.200 -0.079 0.000 1.028 410 S CB 1.255 64.405 63.200 -0.083 0.000 0.906 410 S HN 1.574 nan 8.310 nan 0.000 0.528 411 A N 2.375 125.151 122.820 -0.074 0.000 2.483 411 A HA 0.377 4.697 4.320 0.000 0.000 0.238 411 A C 0.515 178.030 177.584 -0.114 0.000 1.070 411 A CA -0.160 51.835 52.037 -0.070 0.000 0.770 411 A CB 0.054 19.029 19.000 -0.041 0.000 1.008 411 A HN 0.641 nan 8.150 nan 0.000 0.497 412 S N -0.255 115.371 115.700 -0.123 0.000 2.562 412 S HA 0.468 4.938 4.470 0.000 0.000 0.275 412 S C 0.113 174.567 174.600 -0.243 0.000 1.281 412 S CA -0.232 57.835 58.200 -0.222 0.000 1.045 412 S CB 0.890 63.957 63.200 -0.221 0.000 0.962 412 S HN 1.282 nan 8.310 nan 0.000 0.503 413 V N 2.045 121.804 119.914 -0.257 0.000 2.581 413 V HA 0.597 4.717 4.120 0.000 0.000 0.303 413 V C -0.733 175.209 176.094 -0.253 0.000 1.041 413 V CA -0.653 61.568 62.300 -0.132 0.000 0.907 413 V CB 1.451 33.324 31.823 0.083 0.000 0.994 413 V HN 0.899 nan 8.190 nan 0.000 0.442 414 H N 5.180 124.334 119.070 0.140 0.000 2.539 414 H HA 0.465 5.021 4.556 0.000 0.000 0.247 414 H C -0.506 174.919 175.328 0.161 0.000 1.363 414 H CA -0.343 55.795 56.048 0.150 0.000 1.371 414 H CB 1.142 30.968 29.762 0.107 0.000 1.438 414 H HN 0.586 nan 8.280 nan 0.000 0.523 415 L N 4.103 125.470 121.223 0.241 0.000 2.417 415 L HA 0.218 4.558 4.340 0.000 0.000 0.268 415 L C -1.395 175.589 176.870 0.190 0.000 1.158 415 L CA -1.572 53.378 54.840 0.183 0.000 0.819 415 L CB 0.397 42.493 42.059 0.062 0.000 1.112 415 L HN 0.311 nan 8.230 nan 0.000 0.458 416 P HA 0.146 nan 4.420 nan 0.000 0.302 416 P C -0.107 177.300 177.300 0.178 0.000 1.307 416 P CA -0.448 62.762 63.100 0.184 0.000 0.754 416 P CB 0.919 32.732 31.700 0.188 0.000 1.298 417 D N -0.901 119.648 120.400 0.248 0.000 2.104 417 D HA 0.023 4.663 4.640 0.000 0.000 0.194 417 D C 0.532 176.960 176.300 0.214 0.000 0.994 417 D CA 1.524 55.752 54.000 0.380 0.000 0.830 417 D CB -0.246 40.856 40.800 0.502 0.000 0.959 417 D HN 0.521 nan 8.370 nan 0.000 0.452 418 A N -0.705 122.130 122.820 0.025 0.000 2.549 418 A HA 0.643 4.963 4.320 0.000 0.000 0.297 418 A C -1.262 176.104 177.584 -0.363 0.000 1.061 418 A CA -0.588 51.258 52.037 -0.317 0.000 0.690 418 A CB 1.320 19.949 19.000 -0.619 0.000 1.287 418 A HN 0.042 nan 8.150 nan 0.000 0.402 419 I N 2.622 122.906 120.570 -0.476 0.000 2.420 419 I HA 0.418 4.588 4.170 0.000 0.000 0.282 419 I C -1.096 174.817 176.117 -0.339 0.000 1.019 419 I CA -0.093 60.879 61.300 -0.547 0.000 1.130 419 I CB 1.054 38.643 38.000 -0.685 0.000 1.262 419 I HN 0.470 nan 8.210 nan 0.000 0.454 420 I N 5.623 126.016 120.570 -0.294 0.000 2.498 420 I HA 0.294 4.464 4.170 0.000 0.000 0.290 420 I C -0.694 175.275 176.117 -0.247 0.000 1.032 420 I CA -0.965 60.172 61.300 -0.271 0.000 1.073 420 I CB 2.026 39.751 38.000 -0.458 0.000 1.251 420 I HN 0.368 nan 8.210 nan 0.000 0.426 421 Y N 5.724 125.621 120.300 -0.671 0.000 2.425 421 Y HA 0.140 4.690 4.550 0.000 0.000 0.331 421 Y C 0.478 176.020 175.900 -0.596 0.000 1.157 421 Y CA 0.200 57.709 58.100 -0.985 0.000 1.372 421 Y CB 0.598 38.128 38.460 -1.549 0.000 1.253 421 Y HN 0.526 nan 8.280 nan 0.000 0.536 422 N N 3.648 121.801 118.700 -0.913 0.000 2.420 422 N HA 0.013 4.753 4.740 0.000 0.000 0.249 422 N C 0.397 175.618 175.510 -0.481 0.000 1.033 422 N CA 0.337 53.057 53.050 -0.549 0.000 0.944 422 N CB 1.141 39.367 38.487 -0.435 0.000 1.113 422 N HN 0.880 nan 8.380 nan 0.000 0.502 423 T N -0.148 114.326 114.554 -0.132 0.000 3.160 423 T HA 0.088 4.438 4.350 0.000 0.000 0.257 423 T C 1.369 176.151 174.700 0.137 0.000 1.147 423 T CA 0.480 62.682 62.100 0.169 0.000 1.064 423 T CB 0.225 69.246 68.868 0.255 0.000 0.949 423 T HN 0.442 nan 8.240 nan 0.000 0.526 424 G N 0.942 109.613 108.800 -0.215 0.000 2.763 424 G HA2 0.080 4.040 3.960 0.000 0.000 0.205 424 G HA3 0.080 4.040 3.960 0.000 0.000 0.205 424 G C 1.144 175.888 174.900 -0.260 0.000 1.137 424 G CA -0.003 44.832 45.100 -0.441 0.000 0.839 424 G HN 0.359 nan 8.290 nan 0.000 0.596 425 D N 0.569 120.810 120.400 -0.264 0.000 2.317 425 D HA 0.055 4.695 4.640 0.000 0.000 0.211 425 D C 0.519 176.689 176.300 -0.216 0.000 0.966 425 D CA 0.393 54.264 54.000 -0.214 0.000 0.876 425 D CB 0.156 40.830 40.800 -0.211 0.000 0.927 425 D HN 0.116 nan 8.370 nan 0.000 0.519 426 Q N -0.163 119.456 119.800 -0.303 0.000 2.464 426 Q HA -0.199 4.141 4.340 0.000 0.000 0.304 426 Q C -0.241 175.496 176.000 -0.437 0.000 1.401 426 Q CA 0.821 56.457 55.803 -0.279 0.000 0.806 426 Q CB -1.979 26.777 28.738 0.031 0.000 1.134 426 Q HN 0.566 nan 8.270 nan 0.000 0.411 427 K N -2.415 117.461 120.400 -0.873 0.000 2.579 427 K HA 0.555 4.875 4.320 0.000 0.000 0.284 427 K C -1.268 174.910 176.600 -0.703 0.000 0.990 427 K CA -1.015 54.940 56.287 -0.554 0.000 0.880 427 K CB 0.872 33.240 32.500 -0.220 0.000 1.488 427 K HN -0.021 nan 8.250 nan 0.000 0.425 428 W N 1.852 123.027 121.300 -0.208 0.000 2.311 428 W HA 0.240 4.900 4.660 0.000 0.000 0.310 428 W C -0.431 175.994 176.519 -0.157 0.000 1.274 428 W CA 0.113 57.376 57.345 -0.138 0.000 1.215 428 W CB 0.968 30.467 29.460 0.066 0.000 1.227 428 W HN 0.350 nan 8.180 nan 0.000 0.523 429 D N 2.695 123.042 120.400 -0.087 0.000 2.193 429 D HA 0.164 4.804 4.640 0.000 0.000 0.244 429 D C -1.175 174.848 176.300 -0.461 0.000 1.064 429 D CA -0.469 53.316 54.000 -0.359 0.000 0.845 429 D CB 1.078 41.442 40.800 -0.726 0.000 1.148 429 D HN 0.262 nan 8.370 nan 0.000 0.464 430 Y N 1.696 121.710 120.300 -0.475 0.000 2.417 430 Y HA 0.237 4.787 4.550 0.000 0.000 0.336 430 Y C -0.364 175.355 175.900 -0.302 0.000 0.961 430 Y CA -0.774 57.142 58.100 -0.307 0.000 1.215 430 Y CB 0.747 39.126 38.460 -0.135 0.000 1.120 430 Y HN 0.280 nan 8.280 nan 0.000 0.499 431 Y N 3.542 123.872 120.300 0.050 0.000 2.417 431 Y HA 0.287 4.837 4.550 0.000 0.000 0.336 431 Y C 1.204 177.196 175.900 0.154 0.000 0.961 431 Y CA -0.852 57.315 58.100 0.112 0.000 1.215 431 Y CB 1.037 39.571 38.460 0.124 0.000 1.120 431 Y HN 0.600 nan 8.280 nan 0.000 0.499 432 R N 0.839 121.523 120.500 0.307 0.000 2.091 432 R HA -0.126 4.214 4.340 0.000 0.000 0.238 432 R C 0.452 176.907 176.300 0.259 0.000 1.136 432 R CA 1.254 57.498 56.100 0.240 0.000 0.959 432 R CB 0.024 30.433 30.300 0.183 0.000 0.856 432 R HN 0.359 nan 8.270 nan 0.000 0.437 433 S N -0.820 115.046 115.700 0.276 0.000 2.605 433 S HA 0.426 4.896 4.470 0.000 0.000 0.308 433 S C -2.008 172.780 174.600 0.313 0.000 1.113 433 S CA -0.769 57.581 58.200 0.250 0.000 1.049 433 S CB 0.664 63.952 63.200 0.146 0.000 1.001 433 S HN 0.293 nan 8.310 nan 0.000 0.480 434 W N 6.345 127.733 121.300 0.147 0.000 3.129 434 W HA 0.595 5.255 4.660 0.000 0.000 0.333 434 W C -2.877 173.758 176.519 0.192 0.000 1.141 434 W CA -1.589 55.805 57.345 0.082 0.000 1.224 434 W CB 1.576 31.074 29.460 0.063 0.000 1.393 434 W HN 0.483 nan 8.180 nan 0.000 0.499 435 P HA 0.233 nan 4.420 nan 0.000 0.278 435 P C 0.301 177.297 177.300 -0.506 0.000 1.258 435 P CA -0.213 62.142 63.100 -1.241 0.000 0.811 435 P CB 1.578 32.431 31.700 -1.411 0.000 1.063 436 S N -0.852 114.593 115.700 -0.424 0.000 2.501 436 S HA 0.155 4.625 4.470 0.000 0.000 0.220 436 S C 0.590 175.074 174.600 -0.194 0.000 0.997 436 S CA 0.126 58.200 58.200 -0.210 0.000 0.919 436 S CB -0.733 62.386 63.200 -0.136 0.000 0.778 436 S HN 0.379 nan 8.310 nan 0.000 0.523 437 V N -0.373 119.385 119.914 -0.259 0.000 2.709 437 V HA 0.904 5.024 4.120 0.000 0.000 0.308 437 V C -0.286 175.675 176.094 -0.222 0.000 1.062 437 V CA -0.831 61.354 62.300 -0.192 0.000 0.901 437 V CB 0.361 32.097 31.823 -0.145 0.000 1.003 437 V HN 0.868 nan 8.190 nan 0.000 0.425 438 C N 1.828 121.034 119.300 -0.156 0.000 3.233 438 C HA 0.543 5.003 4.460 0.000 0.000 0.358 438 C C 0.994 175.937 174.990 -0.080 0.000 1.461 438 C CA 0.014 58.948 59.018 -0.140 0.000 1.180 438 C CB 1.181 28.815 27.740 -0.177 0.000 1.604 438 C HN 0.978 nan 8.230 nan 0.000 0.437 439 E N 0.844 121.014 120.200 -0.051 0.000 2.106 439 E HA 0.062 4.412 4.350 0.000 0.000 0.192 439 E C 0.362 176.953 176.600 -0.015 0.000 0.984 439 E CA 1.341 57.735 56.400 -0.009 0.000 0.806 439 E CB 0.109 29.833 29.700 0.039 0.000 0.750 439 E HN 0.619 nan 8.360 nan 0.000 0.458 440 S N -0.597 115.086 115.700 -0.028 0.000 2.548 440 S HA 0.249 4.719 4.470 0.000 0.000 0.276 440 S C -0.812 173.762 174.600 -0.043 0.000 1.129 440 S CA -0.742 57.441 58.200 -0.027 0.000 0.931 440 S CB 1.425 64.618 63.200 -0.012 0.000 1.068 440 S HN 0.296 nan 8.310 nan 0.000 0.480 441 N N 0.165 118.842 118.700 -0.038 0.000 2.783 441 N HA -0.155 4.585 4.740 0.000 0.000 0.247 441 N C -0.839 174.636 175.510 -0.058 0.000 1.089 441 N CA 0.585 53.610 53.050 -0.043 0.000 0.690 441 N CB -1.395 37.066 38.487 -0.043 0.000 0.991 441 N HN 0.437 nan 8.380 nan 0.000 0.552 442 C N -1.556 117.708 119.300 -0.061 0.000 2.971 442 C HA 0.429 4.889 4.460 0.000 0.000 0.310 442 C C 2.247 177.202 174.990 -0.057 0.000 1.285 442 C CA -0.440 58.532 59.018 -0.075 0.000 1.593 442 C CB 1.510 29.184 27.740 -0.110 0.000 2.076 442 C HN 0.513 nan 8.230 nan 0.000 0.472 443 T N 0.901 115.421 114.554 -0.057 0.000 2.720 443 T HA 0.052 4.402 4.350 0.000 0.000 0.268 443 T C 0.737 175.413 174.700 -0.040 0.000 1.037 443 T CA 1.829 63.905 62.100 -0.040 0.000 1.144 443 T CB -0.212 68.636 68.868 -0.034 0.000 0.864 443 T HN 0.934 nan 8.240 nan 0.000 0.444 444 G N -0.890 107.877 108.800 -0.055 0.000 2.658 444 G HA2 0.615 4.575 3.960 0.000 0.000 0.292 444 G HA3 0.615 4.575 3.960 0.000 0.000 0.292 444 G C -0.372 174.494 174.900 -0.056 0.000 1.320 444 G CA -0.352 44.719 45.100 -0.049 0.000 0.933 444 G HN 0.368 nan 8.290 nan 0.000 0.476 445 G N -1.325 107.450 108.800 -0.041 0.000 2.531 445 G HA2 0.564 4.524 3.960 0.000 0.000 0.313 445 G HA3 0.564 4.524 3.960 0.000 0.000 0.313 445 G C -0.091 174.784 174.900 -0.042 0.000 1.238 445 G CA -0.864 44.213 45.100 -0.037 0.000 0.994 445 G HN 0.611 nan 8.290 nan 0.000 0.493 446 L N -0.634 120.567 121.223 -0.036 0.000 2.456 446 L HA 0.384 4.724 4.340 0.000 0.000 0.257 446 L C 0.305 177.165 176.870 -0.018 0.000 1.162 446 L CA -0.304 54.514 54.840 -0.037 0.000 0.808 446 L CB 1.277 43.310 42.059 -0.043 0.000 1.136 446 L HN 0.311 nan 8.230 nan 0.000 0.466 447 T N 2.253 116.803 114.554 -0.007 0.000 2.809 447 T HA 0.321 4.671 4.350 0.000 0.000 0.296 447 T C -2.508 172.208 174.700 0.028 0.000 1.015 447 T CA -1.217 60.900 62.100 0.029 0.000 0.954 447 T CB 1.268 70.153 68.868 0.029 0.000 0.950 447 T HN 0.324 nan 8.240 nan 0.000 0.450 448 P HA 0.201 nan 4.420 nan 0.000 0.271 448 P C -0.764 176.292 177.300 -0.408 0.000 1.220 448 P CA -0.679 62.203 63.100 -0.364 0.000 0.768 448 P CB 0.761 32.040 31.700 -0.702 0.000 0.848 449 L N 5.867 126.811 121.223 -0.465 0.000 2.301 449 L HA 0.373 4.713 4.340 0.000 0.000 0.278 449 L C -0.939 175.637 176.870 -0.491 0.000 1.022 449 L CA -1.021 53.476 54.840 -0.571 0.000 0.854 449 L CB -0.354 41.349 42.059 -0.593 0.000 1.226 449 L HN 0.167 nan 8.230 nan 0.000 0.429 450 Y N 4.072 124.206 120.300 -0.276 0.000 2.346 450 Y HA 0.327 4.877 4.550 0.000 0.000 0.330 450 Y C 0.281 176.020 175.900 -0.267 0.000 1.178 450 Y CA -0.355 57.598 58.100 -0.245 0.000 1.331 450 Y CB 0.566 38.891 38.460 -0.225 0.000 1.253 450 Y HN 0.381 nan 8.280 nan 0.000 0.529 451 L N 2.539 123.681 121.223 -0.135 0.000 2.417 451 L HA 0.507 4.847 4.340 0.000 0.000 0.268 451 L C 0.326 177.070 176.870 -0.210 0.000 1.158 451 L CA 0.321 54.961 54.840 -0.333 0.000 0.819 451 L CB 0.388 42.073 42.059 -0.623 0.000 1.112 451 L HN 0.861 nan 8.230 nan 0.000 0.458 452 A N 1.736 124.401 122.820 -0.259 0.000 2.524 452 A HA 0.513 4.833 4.320 0.000 0.000 0.286 452 A C -0.887 176.363 177.584 -0.556 0.000 1.203 452 A CA -0.716 51.127 52.037 -0.324 0.000 0.736 452 A CB 0.665 19.587 19.000 -0.130 0.000 1.322 452 A HN 0.569 nan 8.150 nan 0.000 0.424 453 D N -0.420 119.740 120.400 -0.401 0.000 2.400 453 D HA 0.380 5.021 4.640 0.000 0.000 0.238 453 D C 1.270 177.481 176.300 -0.149 0.000 1.157 453 D CA 1.968 55.809 54.000 -0.265 0.000 0.889 453 D CB 0.718 41.483 40.800 -0.059 0.000 1.199 453 D HN 1.455 nan 8.370 nan 0.000 0.436 454 G N 2.338 111.080 108.800 -0.097 0.000 2.198 454 G HA2 -0.318 3.642 3.960 0.000 0.000 0.260 454 G HA3 -0.318 3.642 3.960 0.000 0.000 0.260 454 G C 0.397 175.331 174.900 0.057 0.000 1.025 454 G CA 0.664 45.767 45.100 0.005 0.000 0.769 454 G HN 0.843 nan 8.290 nan 0.000 0.507 455 H N -2.294 116.706 119.070 -0.117 0.000 2.713 455 H HA -0.157 4.399 4.556 0.000 0.000 0.311 455 H C 1.308 176.627 175.328 -0.014 0.000 1.175 455 H CA 1.628 57.550 56.048 -0.209 0.000 1.143 455 H CB -1.406 28.137 29.762 -0.365 0.000 1.434 455 H HN 1.373 nan 8.280 nan 0.000 0.418 456 G N -0.167 108.700 108.800 0.112 0.000 2.601 456 G HA2 0.663 4.623 3.960 0.000 0.000 0.317 456 G HA3 0.663 4.623 3.960 0.000 0.000 0.317 456 G C -0.287 174.647 174.900 0.057 0.000 1.246 456 G CA -0.836 44.306 45.100 0.069 0.000 1.012 456 G HN 0.129 nan 8.290 nan 0.000 0.494 457 L N 0.184 121.393 121.223 -0.024 0.000 2.408 457 L HA 0.646 4.986 4.340 0.000 0.000 0.268 457 L C -0.276 176.502 176.870 -0.154 0.000 0.986 457 L CA -0.712 54.058 54.840 -0.117 0.000 0.820 457 L CB 2.376 44.334 42.059 -0.168 0.000 1.303 457 L HN 0.586 nan 8.230 nan 0.000 0.411 458 S N 0.869 116.471 115.700 -0.164 0.000 2.546 458 S HA 0.537 5.007 4.470 0.000 0.000 0.274 458 S C -0.003 174.540 174.600 -0.095 0.000 1.121 458 S CA -0.470 57.666 58.200 -0.107 0.000 0.887 458 S CB 1.087 64.288 63.200 0.002 0.000 1.094 458 S HN 0.467 nan 8.310 nan 0.000 0.474 459 F N 1.775 121.779 119.950 0.090 0.000 2.780 459 F HA 0.178 4.705 4.527 0.000 0.000 0.299 459 F C 1.380 177.305 175.800 0.208 0.000 1.146 459 F CA 0.279 58.349 58.000 0.116 0.000 1.428 459 F CB 0.443 39.471 39.000 0.047 0.000 1.115 459 F HN 0.383 nan 8.300 nan 0.000 0.583 460 T N -0.863 113.865 114.554 0.290 0.000 2.767 460 T HA 0.072 4.422 4.350 0.000 0.000 0.288 460 T C -0.548 174.172 174.700 0.034 0.000 0.963 460 T CA -0.415 61.791 62.100 0.178 0.000 1.019 460 T CB 0.273 69.201 68.868 0.100 0.000 0.923 460 T HN 0.132 nan 8.240 nan 0.000 0.468 461 H N 5.010 123.915 119.070 -0.275 0.000 3.138 461 H HA 0.158 4.714 4.556 0.000 0.000 0.275 461 H C -2.114 172.953 175.328 -0.435 0.000 0.997 461 H CA -1.515 54.031 56.048 -0.836 0.000 1.460 461 H CB 0.343 29.717 29.762 -0.646 0.000 1.524 461 H HN 0.268 nan 8.280 nan 0.000 0.532 462 P HA 0.058 nan 4.420 nan 0.000 0.276 462 P C -0.190 177.132 177.300 0.038 0.000 1.243 462 P CA -0.104 62.979 63.100 -0.029 0.000 0.768 462 P CB 1.422 33.100 31.700 -0.037 0.000 0.856 463 A N 3.730 126.533 122.820 -0.028 0.000 1.970 463 A HA 0.217 4.537 4.320 0.000 0.000 0.216 463 A C 1.218 178.783 177.584 -0.031 0.000 1.170 463 A CA 0.906 52.905 52.037 -0.063 0.000 0.645 463 A CB -0.892 18.060 19.000 -0.080 0.000 0.816 463 A HN 0.605 nan 8.150 nan 0.000 0.447 464 A N 0.885 123.698 122.820 -0.012 0.000 2.488 464 A HA 0.378 4.698 4.320 0.000 0.000 0.249 464 A C -0.488 177.089 177.584 -0.013 0.000 1.083 464 A CA -0.171 51.862 52.037 -0.006 0.000 0.768 464 A CB 0.019 19.024 19.000 0.009 0.000 1.017 464 A HN 0.424 nan 8.150 nan 0.000 0.496 465 D N 1.122 121.496 120.400 -0.044 0.000 2.210 465 D HA 0.568 5.208 4.640 0.000 0.000 0.249 465 D C 0.320 176.453 176.300 -0.279 0.000 1.078 465 D CA 0.789 54.718 54.000 -0.118 0.000 0.875 465 D CB 1.870 42.681 40.800 0.017 0.000 1.175 465 D HN 0.777 nan 8.370 nan 0.000 0.440 466 G N -0.261 108.091 108.800 -0.747 0.000 2.608 466 G HA2 0.660 4.620 3.960 0.000 0.000 0.291 466 G HA3 0.660 4.620 3.960 0.000 0.000 0.291 466 G C -1.930 172.242 174.900 -1.214 0.000 1.425 466 G CA -0.551 44.069 45.100 -0.799 0.000 0.787 466 G HN 0.555 nan 8.290 nan 0.000 0.484 467 A N 0.130 122.608 122.820 -0.569 0.000 2.547 467 A HA 0.752 5.073 4.320 0.000 0.000 0.297 467 A C -1.899 175.692 177.584 0.012 0.000 1.056 467 A CA -0.664 51.210 52.037 -0.271 0.000 0.688 467 A CB 1.957 20.895 19.000 -0.104 0.000 1.282 467 A HN 0.460 nan 8.150 nan 0.000 0.400 468 D N 1.260 121.747 120.400 0.145 0.000 2.375 468 D HA 0.603 5.243 4.640 0.000 0.000 0.247 468 D C -0.516 175.920 176.300 0.226 0.000 1.061 468 D CA 0.081 54.193 54.000 0.185 0.000 0.834 468 D CB 2.084 42.998 40.800 0.191 0.000 1.247 468 D HN 0.330 nan 8.370 nan 0.000 0.489 469 S N 1.028 116.847 115.700 0.197 0.000 2.593 469 S HA 0.675 5.146 4.470 0.000 0.000 0.297 469 S C -0.844 173.914 174.600 0.263 0.000 1.112 469 S CA -0.760 57.544 58.200 0.172 0.000 1.043 469 S CB 1.039 64.295 63.200 0.094 0.000 1.054 469 S HN 0.454 nan 8.310 nan 0.000 0.516 470 Y N -1.383 118.997 120.300 0.134 0.000 2.513 470 Y HA 0.743 5.293 4.550 0.000 0.000 0.340 470 Y C -1.368 174.593 175.900 0.102 0.000 1.055 470 Y CA -1.339 56.828 58.100 0.111 0.000 1.020 470 Y CB 0.311 38.843 38.460 0.119 0.000 1.301 470 Y HN 0.281 nan 8.280 nan 0.000 0.453 471 V N 3.017 123.037 119.914 0.177 0.000 2.432 471 V HA 0.399 4.519 4.120 0.000 0.000 0.275 471 V C -0.066 176.122 176.094 0.157 0.000 1.043 471 V CA -0.325 62.028 62.300 0.088 0.000 0.925 471 V CB 1.351 33.222 31.823 0.080 0.000 0.985 471 V HN 0.838 nan 8.190 nan 0.000 0.466 472 S N 3.555 119.302 115.700 0.079 0.000 2.448 472 S HA 0.313 4.783 4.470 0.000 0.000 0.320 472 S C -0.697 173.954 174.600 0.085 0.000 1.071 472 S CA -0.647 57.622 58.200 0.114 0.000 1.113 472 S CB 0.451 63.682 63.200 0.051 0.000 0.972 472 S HN 0.825 nan 8.310 nan 0.000 0.465 473 D N 5.536 126.006 120.400 0.116 0.000 2.441 473 D HA 0.445 5.085 4.640 0.000 0.000 0.231 473 D C -1.831 174.523 176.300 0.091 0.000 1.073 473 D CA -2.279 51.793 54.000 0.121 0.000 0.850 473 D CB 1.872 42.781 40.800 0.182 0.000 1.062 473 D HN 0.208 nan 8.370 nan 0.000 0.524 474 P HA -0.048 nan 4.420 nan 0.000 0.221 474 P C 0.813 178.020 177.300 -0.156 0.000 1.145 474 P CA 0.760 63.854 63.100 -0.009 0.000 0.795 474 P CB 0.294 32.074 31.700 0.134 0.000 0.775 475 A N -1.484 121.258 122.820 -0.129 0.000 2.119 475 A HA -0.084 4.236 4.320 0.000 0.000 0.216 475 A C 0.392 177.655 177.584 -0.535 0.000 1.152 475 A CA 1.010 52.855 52.037 -0.321 0.000 0.708 475 A CB -1.015 17.819 19.000 -0.278 0.000 0.805 475 A HN 0.278 nan 8.150 nan 0.000 0.460 476 H N -0.419 118.644 119.070 -0.013 0.000 2.439 476 H HA 0.278 4.834 4.556 0.000 0.000 0.228 476 H C -2.814 172.562 175.328 0.081 0.000 1.423 476 H CA -1.688 54.399 56.048 0.066 0.000 1.386 476 H CB 0.493 30.300 29.762 0.076 0.000 1.641 476 H HN 0.267 nan 8.280 nan 0.000 0.508 477 P HA 0.007 nan 4.420 nan 0.000 0.272 477 P C 0.128 177.614 177.300 0.310 0.000 1.223 477 P CA -0.338 62.809 63.100 0.078 0.000 0.784 477 P CB 1.608 33.150 31.700 -0.263 0.000 0.923 478 V N 4.103 124.195 119.914 0.297 0.000 2.479 478 V HA 0.099 4.219 4.120 0.000 0.000 0.281 478 V C -1.942 174.429 176.094 0.461 0.000 1.031 478 V CA -1.373 61.122 62.300 0.325 0.000 1.038 478 V CB -0.071 31.898 31.823 0.244 0.000 0.981 478 V HN 0.536 nan 8.190 nan 0.000 0.478 479 P HA 0.048 nan 4.420 nan 0.000 0.267 479 P C 0.563 178.030 177.300 0.278 0.000 1.209 479 P CA -0.171 63.156 63.100 0.379 0.000 0.763 479 P CB 0.256 32.026 31.700 0.116 0.000 0.816 480 F N 5.581 125.554 119.950 0.039 0.000 2.216 480 F HA 0.009 4.536 4.527 0.000 0.000 0.300 480 F C 0.622 176.310 175.800 -0.187 0.000 1.085 480 F CA 0.499 58.391 58.000 -0.181 0.000 1.326 480 F CB -0.722 37.741 39.000 -0.896 0.000 1.027 480 F HN 0.142 nan 8.300 nan 0.000 0.497 481 I N -1.798 118.155 120.570 -1.028 0.000 2.994 481 I HA 0.487 4.657 4.170 0.000 0.000 0.306 481 I C -0.017 175.837 176.117 -0.438 0.000 1.195 481 I CA -1.268 59.599 61.300 -0.720 0.000 1.001 481 I CB 1.820 39.230 38.000 -0.984 0.000 1.244 481 I HN 0.005 nan 8.210 nan 0.000 0.437 482 S N 2.939 118.492 115.700 -0.244 0.000 2.558 482 S HA 0.205 4.675 4.470 0.000 0.000 0.291 482 S C 0.209 174.732 174.600 -0.127 0.000 1.306 482 S CA -0.360 57.750 58.200 -0.150 0.000 1.056 482 S CB 0.318 63.457 63.200 -0.102 0.000 0.836 482 S HN 0.705 nan 8.310 nan 0.000 0.504 483 R N 2.380 122.811 120.500 -0.116 0.000 2.582 483 R HA 0.404 4.744 4.340 0.000 0.000 0.271 483 R C -1.914 174.356 176.300 -0.050 0.000 1.078 483 R CA -1.364 54.684 56.100 -0.088 0.000 1.127 483 R CB -0.042 30.143 30.300 -0.190 0.000 1.038 483 R HN 0.627 nan 8.270 nan 0.000 0.500 484 P HA 0.235 nan 4.420 nan 0.000 0.284 484 P C -1.372 175.973 177.300 0.075 0.000 1.258 484 P CA -0.313 62.797 63.100 0.017 0.000 0.824 484 P CB 0.767 32.471 31.700 0.006 0.000 1.038 485 F N 1.089 120.990 119.950 -0.081 0.000 2.561 485 F HA 0.650 5.177 4.527 0.000 0.000 0.313 485 F C -1.597 174.113 175.800 -0.150 0.000 1.126 485 F CA -0.631 57.288 58.000 -0.135 0.000 0.918 485 F CB 1.802 40.667 39.000 -0.224 0.000 1.199 485 F HN 0.526 nan 8.300 nan 0.000 0.444 486 A N 5.305 127.422 122.820 -1.171 0.000 2.365 486 A HA 0.533 4.853 4.320 0.000 0.000 0.318 486 A C -0.308 176.417 177.584 -1.432 0.000 1.091 486 A CA -0.619 50.833 52.037 -0.975 0.000 0.763 486 A CB 0.478 19.236 19.000 -0.403 0.000 1.248 486 A HN 0.872 nan 8.150 nan 0.000 0.442 487 F N 1.491 120.953 119.950 -0.813 0.000 2.373 487 F HA -0.143 4.384 4.527 0.000 0.000 0.300 487 F C 2.466 178.048 175.800 -0.365 0.000 1.080 487 F CA 1.745 59.411 58.000 -0.557 0.000 1.417 487 F CB 0.111 38.881 39.000 -0.383 0.000 1.070 487 F HN 0.657 nan 8.300 nan 0.000 0.546 488 A N -0.714 122.012 122.820 -0.157 0.000 2.119 488 A HA -0.094 4.226 4.320 0.000 0.000 0.217 488 A C 1.244 178.788 177.584 -0.067 0.000 1.153 488 A CA 0.336 52.326 52.037 -0.079 0.000 0.692 488 A CB -0.504 18.458 19.000 -0.063 0.000 0.799 488 A HN 0.349 nan 8.150 nan 0.000 0.458 489 Q N 0.776 120.494 119.800 -0.136 0.000 2.664 489 Q HA 0.217 4.557 4.340 0.000 0.000 0.223 489 Q C 0.712 176.805 176.000 0.154 0.000 1.298 489 Q CA -0.296 55.497 55.803 -0.017 0.000 0.965 489 Q CB 0.246 28.951 28.738 -0.054 0.000 1.510 489 Q HN 0.500 nan 8.270 nan 0.000 0.567 490 S N 0.553 116.340 115.700 0.146 0.000 2.383 490 S HA -0.205 4.265 4.470 0.000 0.000 0.229 490 S C 2.033 176.776 174.600 0.239 0.000 1.030 490 S CA 1.649 59.989 58.200 0.232 0.000 1.002 490 S CB -0.053 63.235 63.200 0.146 0.000 0.829 490 S HN 0.770 nan 8.310 nan 0.000 0.467 491 S N 1.575 117.365 115.700 0.150 0.000 2.419 491 S HA -0.019 4.451 4.470 0.000 0.000 0.233 491 S C 1.733 176.415 174.600 0.138 0.000 1.016 491 S CA 0.602 58.869 58.200 0.111 0.000 0.974 491 S CB -0.231 63.008 63.200 0.065 0.000 0.786 491 S HN 0.381 nan 8.310 nan 0.000 0.492 492 R N -0.691 119.938 120.500 0.215 0.000 2.156 492 R HA 0.129 4.469 4.340 0.000 0.000 0.207 492 R C 2.048 178.531 176.300 0.304 0.000 1.040 492 R CA 0.615 56.850 56.100 0.226 0.000 1.013 492 R CB -0.400 30.069 30.300 0.280 0.000 0.931 492 R HN 0.708 nan 8.270 nan 0.000 0.465 493 W N 2.721 124.180 121.300 0.264 0.000 2.407 493 W HA -0.134 4.526 4.660 0.000 0.000 0.305 493 W C 1.238 177.939 176.519 0.302 0.000 1.196 493 W CA 1.088 58.613 57.345 0.300 0.000 1.311 493 W CB -0.001 29.670 29.460 0.351 0.000 1.135 493 W HN -0.054 nan 8.180 nan 0.000 0.514 494 K N 0.098 120.559 120.400 0.101 0.000 2.034 494 K HA -0.195 4.125 4.320 0.000 0.000 0.214 494 K C -1.012 175.515 176.600 -0.121 0.000 1.051 494 K CA 2.117 58.372 56.287 -0.053 0.000 0.931 494 K CB -1.491 31.047 32.500 0.064 0.000 0.715 494 K HN 0.159 nan 8.250 nan 0.000 0.446 495 P HA -0.032 nan 4.420 nan 0.000 0.254 495 P C 0.376 177.589 177.300 -0.145 0.000 1.620 495 P CA -0.152 62.872 63.100 -0.126 0.000 1.050 495 P CB -0.551 31.098 31.700 -0.085 0.000 1.539 496 W N 0.349 121.486 121.300 -0.272 0.000 2.374 496 W HA -0.101 4.559 4.660 0.000 0.000 0.288 496 W C 0.529 176.924 176.519 -0.205 0.000 1.218 496 W CA 0.222 57.403 57.345 -0.273 0.000 1.245 496 W CB -1.351 27.911 29.460 -0.330 0.000 1.126 496 W HN -0.147 nan 8.180 nan 0.000 0.545 497 L N 2.007 122.668 121.223 -0.936 0.000 2.456 497 L HA -0.144 4.196 4.340 0.000 0.000 0.224 497 L C 2.206 178.796 176.870 -0.467 0.000 1.148 497 L CA 1.092 55.402 54.840 -0.883 0.000 0.825 497 L CB -0.441 41.236 42.059 -0.637 0.000 0.937 497 L HN 0.021 nan 8.230 nan 0.000 0.450 498 V N -4.979 114.649 119.914 -0.477 0.000 3.483 498 V HA 0.181 4.301 4.120 0.000 0.000 0.301 498 V C 0.891 176.927 176.094 -0.095 0.000 1.389 498 V CA -0.439 61.591 62.300 -0.449 0.000 1.101 498 V CB -0.167 31.202 31.823 -0.757 0.000 0.971 498 V HN 0.123 nan 8.190 nan 0.000 0.434 499 Q N 1.825 121.595 119.800 -0.050 0.000 2.421 499 Q HA 0.219 4.559 4.340 0.000 0.000 0.255 499 Q C -0.214 175.759 176.000 -0.045 0.000 1.013 499 Q CA 0.205 56.022 55.803 0.025 0.000 0.895 499 Q CB 0.721 29.462 28.738 0.005 0.000 1.271 499 Q HN 0.527 nan 8.270 nan 0.000 0.460 500 D N 1.470 121.687 120.400 -0.305 0.000 2.458 500 D HA -0.067 4.573 4.640 0.000 0.000 0.243 500 D C 0.180 176.324 176.300 -0.260 0.000 1.146 500 D CA 0.247 53.840 54.000 -0.678 0.000 0.877 500 D CB 0.727 40.954 40.800 -0.955 0.000 1.176 500 D HN 0.172 nan 8.370 nan 0.000 0.461 501 Q N 3.284 122.984 119.800 -0.168 0.000 2.246 501 Q HA 0.099 4.439 4.340 0.000 0.000 0.202 501 Q C 1.403 177.372 176.000 -0.053 0.000 0.883 501 Q CA -0.007 55.776 55.803 -0.033 0.000 0.952 501 Q CB 0.207 28.974 28.738 0.049 0.000 1.078 501 Q HN 0.503 nan 8.270 nan 0.000 0.493 502 R N 0.534 120.965 120.500 -0.115 0.000 2.115 502 R HA -0.121 4.219 4.340 0.000 0.000 0.230 502 R C 1.937 178.200 176.300 -0.062 0.000 1.111 502 R CA 1.007 57.053 56.100 -0.090 0.000 0.976 502 R CB 0.181 30.413 30.300 -0.114 0.000 0.870 502 R HN 0.370 nan 8.270 nan 0.000 0.445 503 E N 0.520 120.685 120.200 -0.058 0.000 2.051 503 E HA -0.205 4.145 4.350 0.000 0.000 0.192 503 E C 1.860 178.452 176.600 -0.014 0.000 0.991 503 E CA 1.287 57.665 56.400 -0.037 0.000 0.799 503 E CB -0.025 29.653 29.700 -0.037 0.000 0.748 503 E HN 0.346 nan 8.360 nan 0.000 0.449 504 A N 1.361 124.186 122.820 0.008 0.000 1.902 504 A HA -0.247 4.073 4.320 0.000 0.000 0.217 504 A C 2.073 179.649 177.584 -0.013 0.000 1.181 504 A CA 1.733 53.785 52.037 0.024 0.000 0.623 504 A CB -0.670 18.370 19.000 0.067 0.000 0.818 504 A HN 0.480 nan 8.150 nan 0.000 0.443 505 E N 0.514 120.699 120.200 -0.026 0.000 2.118 505 E HA -0.203 4.147 4.350 0.000 0.000 0.195 505 E C 1.964 178.527 176.600 -0.062 0.000 0.992 505 E CA 1.578 57.947 56.400 -0.051 0.000 0.804 505 E CB -0.142 29.527 29.700 -0.052 0.000 0.741 505 E HN 0.723 nan 8.360 nan 0.000 0.458 506 S N -0.137 115.534 115.700 -0.049 0.000 2.555 506 S HA -0.013 4.457 4.470 0.000 0.000 0.230 506 S C 0.714 175.291 174.600 -0.039 0.000 0.978 506 S CA -0.131 58.041 58.200 -0.048 0.000 0.934 506 S CB -0.135 63.040 63.200 -0.041 0.000 0.766 506 S HN 0.110 nan 8.310 nan 0.000 0.533 507 R N 1.737 122.217 120.500 -0.032 0.000 2.457 507 R HA 0.352 4.692 4.340 0.000 0.000 0.284 507 R C -1.829 174.460 176.300 -0.018 0.000 1.024 507 R CA -2.117 53.973 56.100 -0.016 0.000 1.025 507 R CB 0.482 30.785 30.300 0.005 0.000 1.063 507 R HN 0.128 nan 8.270 nan 0.000 0.493 508 P HA -0.093 nan 4.420 nan 0.000 0.233 508 P C -0.199 177.153 177.300 0.085 0.000 1.167 508 P CA 0.957 64.076 63.100 0.031 0.000 0.770 508 P CB 0.216 31.936 31.700 0.034 0.000 0.837 509 D N -0.555 119.892 120.400 0.078 0.000 2.395 509 D HA 0.114 4.754 4.640 0.000 0.000 0.226 509 D C -0.006 176.242 176.300 -0.087 0.000 1.146 509 D CA -0.660 53.433 54.000 0.154 0.000 0.830 509 D CB -0.310 40.595 40.800 0.176 0.000 0.958 509 D HN -0.034 nan 8.370 nan 0.000 0.501 510 V N 0.245 120.037 119.914 -0.202 0.000 2.686 510 V HA 0.345 4.465 4.120 0.000 0.000 0.306 510 V C -0.662 175.251 176.094 -0.301 0.000 1.065 510 V CA -1.167 60.925 62.300 -0.346 0.000 0.894 510 V CB 2.471 34.205 31.823 -0.149 0.000 1.004 510 V HN 0.002 nan 8.190 nan 0.000 0.424 511 V N 4.317 124.023 119.914 -0.347 0.000 2.435 511 V HA 0.715 4.835 4.120 0.000 0.000 0.290 511 V C -0.046 176.020 176.094 -0.047 0.000 1.030 511 V CA 0.259 62.495 62.300 -0.106 0.000 0.881 511 V CB 2.160 34.050 31.823 0.112 0.000 0.983 511 V HN 1.034 nan 8.190 nan 0.000 0.445 512 T N 6.870 121.333 114.554 -0.150 0.000 2.841 512 T HA 0.674 5.024 4.350 0.000 0.000 0.283 512 T C -1.470 173.088 174.700 -0.237 0.000 1.000 512 T CA -0.083 61.956 62.100 -0.100 0.000 0.977 512 T CB 1.121 69.926 68.868 -0.105 0.000 0.979 512 T HN 0.548 nan 8.240 nan 0.000 0.446 513 Y N 1.407 121.738 120.300 0.052 0.000 2.499 513 Y HA 0.597 5.147 4.550 0.000 0.000 0.347 513 Y C 0.331 176.225 175.900 -0.011 0.000 0.987 513 Y CA -1.123 56.997 58.100 0.033 0.000 1.044 513 Y CB 1.881 40.334 38.460 -0.012 0.000 1.245 513 Y HN 0.702 nan 8.280 nan 0.000 0.461 514 E N -0.826 119.446 120.200 0.119 0.000 2.392 514 E HA 0.514 4.864 4.350 0.000 0.000 0.279 514 E C -1.286 175.319 176.600 0.009 0.000 0.964 514 E CA -1.205 55.220 56.400 0.041 0.000 0.777 514 E CB 1.826 31.543 29.700 0.028 0.000 1.249 514 E HN 0.529 nan 8.360 nan 0.000 0.449 515 T N -0.371 114.166 114.554 -0.028 0.000 2.788 515 T HA 0.238 4.588 4.350 0.000 0.000 0.280 515 T C 0.420 175.122 174.700 0.004 0.000 0.984 515 T CA -0.823 61.257 62.100 -0.034 0.000 0.972 515 T CB 0.808 69.638 68.868 -0.063 0.000 1.039 515 T HN 0.454 nan 8.240 nan 0.000 0.530 516 E N 0.133 120.342 120.200 0.016 0.000 2.391 516 E HA 0.220 4.570 4.350 0.000 0.000 0.255 516 E C -0.013 176.612 176.600 0.043 0.000 1.187 516 E CA -0.432 55.985 56.400 0.028 0.000 0.941 516 E CB 0.684 30.402 29.700 0.031 0.000 1.010 516 E HN 0.476 nan 8.360 nan 0.000 0.458 517 V N 2.453 122.395 119.914 0.046 0.000 2.540 517 V HA -0.117 4.003 4.120 0.000 0.000 0.297 517 V C 0.507 176.647 176.094 0.076 0.000 1.024 517 V CA -0.034 62.304 62.300 0.063 0.000 1.105 517 V CB -0.108 31.745 31.823 0.050 0.000 0.938 517 V HN 0.357 nan 8.190 nan 0.000 0.482 518 L N 5.303 126.589 121.223 0.105 0.000 2.513 518 L HA 0.107 4.447 4.340 0.000 0.000 0.272 518 L C 1.307 178.233 176.870 0.094 0.000 1.187 518 L CA 0.661 55.568 54.840 0.111 0.000 0.895 518 L CB 0.057 42.205 42.059 0.149 0.000 1.147 518 L HN 0.652 nan 8.230 nan 0.000 0.483 519 D N 1.203 121.649 120.400 0.076 0.000 2.355 519 D HA 0.057 4.697 4.640 0.000 0.000 0.206 519 D C 0.120 176.452 176.300 0.053 0.000 1.010 519 D CA 0.622 54.658 54.000 0.059 0.000 0.875 519 D CB 0.949 41.778 40.800 0.048 0.000 0.966 519 D HN 0.483 nan 8.370 nan 0.000 0.512 520 E N 0.875 121.109 120.200 0.058 0.000 2.314 520 E HA 0.317 4.667 4.350 0.000 0.000 0.272 520 E C -2.483 174.150 176.600 0.056 0.000 0.884 520 E CA -1.883 54.543 56.400 0.043 0.000 0.753 520 E CB 2.683 32.399 29.700 0.026 0.000 1.213 520 E HN -0.055 nan 8.360 nan 0.000 0.432 521 P HA 0.141 nan 4.420 nan 0.000 0.271 521 P C -0.381 176.955 177.300 0.061 0.000 1.218 521 P CA -0.319 62.809 63.100 0.046 0.000 0.780 521 P CB 0.744 32.444 31.700 0.000 0.000 0.901 522 V N 4.308 124.301 119.914 0.132 0.000 2.378 522 V HA 0.314 4.434 4.120 0.000 0.000 0.288 522 V C 0.631 176.841 176.094 0.194 0.000 1.016 522 V CA -0.649 61.748 62.300 0.161 0.000 0.840 522 V CB 1.123 33.096 31.823 0.248 0.000 0.994 522 V HN 0.463 nan 8.190 nan 0.000 0.431 523 R N 3.718 124.270 120.500 0.088 0.000 2.312 523 R HA 0.725 5.065 4.340 0.000 0.000 0.311 523 R C -0.756 175.598 176.300 0.090 0.000 1.004 523 R CA -0.562 55.570 56.100 0.053 0.000 0.902 523 R CB 1.800 32.106 30.300 0.011 0.000 1.073 523 R HN 0.593 nan 8.270 nan 0.000 0.457 524 V N -1.144 118.831 119.914 0.100 0.000 2.656 524 V HA 0.708 4.828 4.120 0.000 0.000 0.307 524 V C -0.387 175.754 176.094 0.077 0.000 1.051 524 V CA -0.691 61.678 62.300 0.114 0.000 0.893 524 V CB 2.016 33.971 31.823 0.220 0.000 0.999 524 V HN 0.717 nan 8.190 nan 0.000 0.426 525 S N 2.447 118.181 115.700 0.056 0.000 2.609 525 S HA 0.846 5.316 4.470 0.000 0.000 0.250 525 S C -0.110 174.508 174.600 0.030 0.000 1.112 525 S CA 0.616 58.882 58.200 0.110 0.000 1.102 525 S CB 0.425 63.675 63.200 0.084 0.000 1.124 525 S HN 2.352 nan 8.310 nan 0.000 0.460 526 G N 1.952 110.813 108.800 0.101 0.000 2.373 526 G HA2 0.222 4.182 3.960 0.000 0.000 0.250 526 G HA3 0.222 4.182 3.960 0.000 0.000 0.250 526 G C -1.830 173.019 174.900 -0.085 0.000 1.304 526 G CA -0.093 44.877 45.100 -0.218 0.000 0.948 526 G HN 0.970 nan 8.290 nan 0.000 0.474 527 V N 2.794 122.601 119.914 -0.178 0.000 2.328 527 V HA 0.513 4.633 4.120 0.000 0.000 0.278 527 V C -2.053 173.993 176.094 -0.079 0.000 1.021 527 V CA -1.116 61.125 62.300 -0.099 0.000 0.838 527 V CB 1.400 33.144 31.823 -0.132 0.000 0.999 527 V HN 0.527 nan 8.190 nan 0.000 0.447 528 P HA 0.305 nan 4.420 nan 0.000 0.275 528 P C -0.885 176.355 177.300 -0.100 0.000 1.228 528 P CA -0.149 62.918 63.100 -0.055 0.000 0.786 528 P CB 0.953 32.644 31.700 -0.015 0.000 0.927 529 V N 1.887 121.698 119.914 -0.171 0.000 2.531 529 V HA 0.562 4.682 4.120 0.000 0.000 0.301 529 V C 0.137 175.977 176.094 -0.423 0.000 1.034 529 V CA -1.046 61.070 62.300 -0.306 0.000 0.865 529 V CB 1.559 33.175 31.823 -0.346 0.000 0.995 529 V HN 0.643 nan 8.190 nan 0.000 0.424 530 A N 2.756 125.187 122.820 -0.648 0.000 2.396 530 A HA 0.468 4.788 4.320 0.000 0.000 0.279 530 A C -0.089 177.095 177.584 -0.666 0.000 1.165 530 A CA -0.007 51.593 52.037 -0.728 0.000 0.824 530 A CB -0.104 18.169 19.000 -1.212 0.000 1.100 530 A HN 0.846 nan 8.150 nan 0.000 0.516 531 D N 2.729 122.909 120.400 -0.367 0.000 2.505 531 D HA 0.407 5.047 4.640 0.000 0.000 0.242 531 D C -0.949 175.249 176.300 -0.170 0.000 1.136 531 D CA -0.071 53.833 54.000 -0.159 0.000 0.954 531 D CB 0.298 41.110 40.800 0.020 0.000 1.002 531 D HN 0.356 nan 8.370 nan 0.000 0.512 532 L N 3.457 124.534 121.223 -0.243 0.000 2.295 532 L HA 0.565 4.905 4.340 0.000 0.000 0.285 532 L C -1.422 175.268 176.870 -0.300 0.000 1.035 532 L CA -0.361 54.357 54.840 -0.202 0.000 0.806 532 L CB 0.629 42.566 42.059 -0.204 0.000 1.214 532 L HN 0.114 nan 8.230 nan 0.000 0.426 533 F N 5.399 125.334 119.950 -0.025 0.000 2.359 533 F HA 0.737 5.264 4.527 0.000 0.000 0.369 533 F C 0.328 176.082 175.800 -0.077 0.000 1.084 533 F CA -0.272 57.708 58.000 -0.033 0.000 1.096 533 F CB 1.280 40.234 39.000 -0.075 0.000 1.335 533 F HN 0.632 nan 8.300 nan 0.000 0.457 534 A N 2.069 124.871 122.820 -0.029 0.000 2.435 534 A HA 0.963 5.283 4.320 0.000 0.000 0.304 534 A C -1.285 176.272 177.584 -0.046 0.000 1.064 534 A CA -0.683 51.209 52.037 -0.241 0.000 0.727 534 A CB 1.365 19.718 19.000 -1.077 0.000 1.284 534 A HN 0.751 nan 8.150 nan 0.000 0.415 535 A N 0.326 123.181 122.820 0.059 0.000 2.374 535 A HA 0.909 5.229 4.320 0.000 0.000 0.317 535 A C -0.249 177.523 177.584 0.312 0.000 1.094 535 A CA -0.225 51.924 52.037 0.187 0.000 0.765 535 A CB 1.628 20.701 19.000 0.123 0.000 1.268 535 A HN 1.529 nan 8.150 nan 0.000 0.438 536 T N -0.596 114.143 114.554 0.309 0.000 2.893 536 T HA 0.450 4.800 4.350 0.000 0.000 0.293 536 T C 1.056 175.833 174.700 0.129 0.000 1.027 536 T CA 0.259 62.498 62.100 0.232 0.000 0.988 536 T CB 1.255 70.269 68.868 0.242 0.000 1.043 536 T HN 1.338 nan 8.240 nan 0.000 0.461 537 S N 2.269 118.014 115.700 0.075 0.000 2.522 537 S HA 0.249 4.719 4.470 0.000 0.000 0.227 537 S C 1.161 175.792 174.600 0.052 0.000 0.986 537 S CA 0.213 58.447 58.200 0.055 0.000 0.929 537 S CB -0.313 62.909 63.200 0.037 0.000 0.769 537 S HN 0.914 nan 8.310 nan 0.000 0.529 538 G N 0.983 109.815 108.800 0.053 0.000 2.532 538 G HA2 0.437 4.397 3.960 0.000 0.000 0.291 538 G HA3 0.437 4.397 3.960 0.000 0.000 0.291 538 G C 0.482 175.423 174.900 0.068 0.000 1.349 538 G CA 0.076 45.204 45.100 0.048 0.000 1.038 538 G HN 0.385 nan 8.290 nan 0.000 0.518 539 T N -2.934 111.664 114.554 0.073 0.000 3.129 539 T HA 0.336 4.686 4.350 0.000 0.000 0.267 539 T C -0.199 174.579 174.700 0.130 0.000 1.018 539 T CA -0.078 62.077 62.100 0.091 0.000 0.903 539 T CB 0.332 69.258 68.868 0.097 0.000 1.067 539 T HN 0.393 nan 8.240 nan 0.000 0.549 540 D N -0.466 119.999 120.400 0.109 0.000 2.653 540 D HA 0.636 5.276 4.640 0.000 0.000 0.258 540 D C -1.607 174.693 176.300 -0.001 0.000 1.252 540 D CA -0.171 53.891 54.000 0.104 0.000 0.777 540 D CB 2.170 43.038 40.800 0.114 0.000 1.339 540 D HN 0.036 nan 8.370 nan 0.000 0.422 541 S N 0.317 115.970 115.700 -0.078 0.000 2.614 541 S HA 0.334 4.804 4.470 0.000 0.000 0.280 541 S C -2.082 172.213 174.600 -0.509 0.000 1.111 541 S CA -0.750 57.231 58.200 -0.365 0.000 0.847 541 S CB 1.304 64.127 63.200 -0.629 0.000 1.079 541 S HN 0.376 nan 8.310 nan 0.000 0.452 542 D N 0.659 120.709 120.400 -0.583 0.000 2.181 542 D HA 0.583 5.223 4.640 0.000 0.000 0.248 542 D C -1.228 174.653 176.300 -0.698 0.000 1.020 542 D CA 0.029 53.769 54.000 -0.434 0.000 0.891 542 D CB 0.835 41.520 40.800 -0.192 0.000 1.187 542 D HN 0.427 nan 8.370 nan 0.000 0.443 543 W N 1.205 122.468 121.300 -0.061 0.000 2.499 543 W HA 0.455 5.115 4.660 0.000 0.000 0.320 543 W C -0.913 175.568 176.519 -0.064 0.000 1.010 543 W CA -0.905 56.396 57.345 -0.074 0.000 1.267 543 W CB 1.215 30.563 29.460 -0.187 0.000 1.316 543 W HN -0.068 nan 8.180 nan 0.000 0.431 544 V N 4.684 124.636 119.914 0.063 0.000 2.370 544 V HA 0.470 4.590 4.120 0.000 0.000 0.279 544 V C -0.186 175.884 176.094 -0.040 0.000 1.029 544 V CA -0.873 61.314 62.300 -0.188 0.000 0.870 544 V CB 1.191 32.615 31.823 -0.664 0.000 0.984 544 V HN 0.283 nan 8.190 nan 0.000 0.451 545 V N 5.886 125.832 119.914 0.053 0.000 2.487 545 V HA 0.512 4.632 4.120 0.000 0.000 0.298 545 V C -0.238 175.905 176.094 0.082 0.000 1.028 545 V CA -0.938 61.416 62.300 0.089 0.000 0.860 545 V CB 1.827 33.727 31.823 0.128 0.000 0.991 545 V HN 0.861 nan 8.190 nan 0.000 0.427 546 K N 4.581 125.023 120.400 0.070 0.000 2.376 546 K HA 0.651 4.971 4.320 0.000 0.000 0.257 546 K C -1.297 175.369 176.600 0.110 0.000 0.939 546 K CA -0.872 55.489 56.287 0.122 0.000 0.809 546 K CB 2.683 35.267 32.500 0.140 0.000 1.121 546 K HN 0.444 nan 8.250 nan 0.000 0.425 547 L N 4.709 126.010 121.223 0.130 0.000 2.265 547 L HA 0.488 4.828 4.340 0.000 0.000 0.289 547 L C -1.204 175.778 176.870 0.186 0.000 1.033 547 L CA -0.233 54.685 54.840 0.130 0.000 0.814 547 L CB 0.478 42.616 42.059 0.132 0.000 1.203 547 L HN 0.588 nan 8.230 nan 0.000 0.423 548 I N 4.010 124.696 120.570 0.192 0.000 2.646 548 I HA 0.358 4.528 4.170 0.000 0.000 0.299 548 I C -0.876 175.455 176.117 0.356 0.000 1.036 548 I CA -0.650 60.791 61.300 0.235 0.000 1.074 548 I CB 2.078 40.180 38.000 0.170 0.000 1.258 548 I HN 0.506 nan 8.210 nan 0.000 0.430 549 D N 5.583 126.226 120.400 0.406 0.000 2.392 549 D HA 0.267 4.907 4.640 0.000 0.000 0.228 549 D C -0.910 175.630 176.300 0.400 0.000 1.074 549 D CA -0.293 54.038 54.000 0.553 0.000 0.838 549 D CB 1.456 42.541 40.800 0.474 0.000 1.067 549 D HN 0.083 nan 8.370 nan 0.000 0.511 550 V N 5.179 125.297 119.914 0.340 0.000 2.408 550 V HA 0.113 4.233 4.120 0.000 0.000 0.267 550 V C 0.812 177.013 176.094 0.178 0.000 1.047 550 V CA -0.731 61.702 62.300 0.222 0.000 0.937 550 V CB 0.943 32.849 31.823 0.138 0.000 0.999 550 V HN 0.488 nan 8.190 nan 0.000 0.472 551 Q N 5.324 125.185 119.800 0.100 0.000 2.492 551 Q HA 0.240 4.580 4.340 0.000 0.000 0.238 551 Q C -2.253 173.598 176.000 -0.249 0.000 1.045 551 Q CA -1.914 53.785 55.803 -0.173 0.000 0.934 551 Q CB -0.166 28.552 28.738 -0.033 0.000 1.276 551 Q HN 0.431 nan 8.270 nan 0.000 0.521 552 P HA -0.084 nan 4.420 nan 0.000 0.265 552 P C 0.093 177.342 177.300 -0.084 0.000 1.187 552 P CA 0.572 63.551 63.100 -0.202 0.000 0.766 552 P CB 0.394 31.992 31.700 -0.169 0.000 0.820 553 A N 3.919 126.714 122.820 -0.041 0.000 1.940 553 A HA -0.178 4.142 4.320 0.000 0.000 0.221 553 A C 0.972 178.547 177.584 -0.015 0.000 1.190 553 A CA 1.846 53.873 52.037 -0.017 0.000 0.647 553 A CB -0.637 18.358 19.000 -0.008 0.000 0.821 553 A HN 0.502 nan 8.150 nan 0.000 0.457 554 M N -0.439 119.149 119.600 -0.020 0.000 2.393 554 M HA 0.323 4.803 4.480 0.000 0.000 0.299 554 M C -0.902 175.384 176.300 -0.022 0.000 1.103 554 M CA -0.087 55.204 55.300 -0.015 0.000 0.910 554 M CB 1.781 34.376 32.600 -0.009 0.000 1.659 554 M HN 0.261 nan 8.290 nan 0.000 0.445 555 T N -0.797 113.745 114.554 -0.019 0.000 3.241 555 T HA 0.405 4.755 4.350 0.000 0.000 0.387 555 T C -2.035 172.655 174.700 -0.016 0.000 1.451 555 T CA -1.373 60.714 62.100 -0.023 0.000 1.363 555 T CB 0.536 69.385 68.868 -0.032 0.000 1.074 555 T HN 0.378 nan 8.240 nan 0.000 0.598 556 P HA -0.060 nan 4.420 nan 0.000 0.221 556 P C 0.504 177.798 177.300 -0.010 0.000 1.145 556 P CA 0.956 64.050 63.100 -0.009 0.000 0.795 556 P CB 0.268 31.965 31.700 -0.005 0.000 0.775 557 D N -0.795 119.598 120.400 -0.012 0.000 2.323 557 D HA -0.027 4.613 4.640 0.000 0.000 0.209 557 D C 0.342 176.629 176.300 -0.022 0.000 0.973 557 D CA 1.159 55.150 54.000 -0.014 0.000 0.874 557 D CB -0.138 40.656 40.800 -0.011 0.000 0.930 557 D HN 0.177 nan 8.370 nan 0.000 0.521 558 D N -1.368 119.017 120.400 -0.026 0.000 2.752 558 D HA 0.130 4.770 4.640 0.000 0.000 0.242 558 D C -2.097 174.185 176.300 -0.030 0.000 1.295 558 D CA -1.593 52.385 54.000 -0.036 0.000 0.846 558 D CB 1.157 41.924 40.800 -0.056 0.000 1.454 558 D HN -0.240 nan 8.370 nan 0.000 0.535 559 P HA -0.229 nan 4.420 nan 0.000 0.218 559 P C 1.309 178.608 177.300 -0.000 0.000 1.152 559 P CA 1.601 64.695 63.100 -0.010 0.000 0.857 559 P CB 0.101 31.796 31.700 -0.007 0.000 0.787 560 K N -1.198 119.201 120.400 -0.002 0.000 2.280 560 K HA -0.091 4.230 4.320 0.000 0.000 0.202 560 K C 1.396 178.032 176.600 0.061 0.000 1.047 560 K CA 1.329 57.631 56.287 0.024 0.000 0.942 560 K CB -0.570 31.938 32.500 0.014 0.000 0.739 560 K HN 0.067 nan 8.250 nan 0.000 0.457 561 M N 1.525 121.130 119.600 0.008 0.000 2.561 561 M HA 0.120 4.600 4.480 0.000 0.000 0.238 561 M C 0.662 177.000 176.300 0.064 0.000 1.131 561 M CA 0.123 55.423 55.300 0.000 0.000 1.046 561 M CB -0.298 32.231 32.600 -0.118 0.000 1.532 561 M HN 0.214 nan 8.290 nan 0.000 0.497 562 G N 0.305 109.132 108.800 0.045 0.000 2.298 562 G HA2 0.329 4.289 3.960 0.000 0.000 0.263 562 G HA3 0.329 4.289 3.960 0.000 0.000 0.263 562 G C 1.118 176.048 174.900 0.051 0.000 1.229 562 G CA 0.392 45.508 45.100 0.028 0.000 0.976 562 G HN 0.697 nan 8.290 nan 0.000 0.459 563 G N 1.789 110.613 108.800 0.039 0.000 2.168 563 G HA2 -0.329 3.631 3.960 0.000 0.000 0.263 563 G HA3 -0.329 3.631 3.960 0.000 0.000 0.263 563 G C 0.481 175.431 174.900 0.084 0.000 0.977 563 G CA 0.638 45.763 45.100 0.042 0.000 0.659 563 G HN 1.080 nan 8.290 nan 0.000 0.533 564 Y N 1.694 121.986 120.300 -0.014 0.000 2.721 564 Y HA 0.325 4.875 4.550 0.000 0.000 0.329 564 Y C 0.826 176.741 175.900 0.026 0.000 1.211 564 Y CA 0.622 58.721 58.100 -0.002 0.000 1.512 564 Y CB 0.452 38.905 38.460 -0.012 0.000 1.249 564 Y HN 0.339 nan 8.280 nan 0.000 0.549 565 E N 6.854 127.021 120.200 -0.055 0.000 1.998 565 E HA 0.145 4.495 4.350 0.000 0.000 0.257 565 E C -1.264 175.409 176.600 0.123 0.000 1.038 565 E CA -0.573 55.858 56.400 0.051 0.000 0.869 565 E CB 0.428 30.119 29.700 -0.015 0.000 1.135 565 E HN 0.411 nan 8.360 nan 0.000 0.430 566 L N 5.438 126.858 121.223 0.329 0.000 2.278 566 L HA 0.312 4.652 4.340 0.000 0.000 0.287 566 L C -2.484 174.527 176.870 0.236 0.000 1.072 566 L CA -2.074 52.963 54.840 0.329 0.000 0.819 566 L CB 0.406 42.649 42.059 0.306 0.000 1.176 566 L HN 0.167 nan 8.230 nan 0.000 0.435 567 P HA 0.085 nan 4.420 nan 0.000 0.282 567 P C 0.518 178.003 177.300 0.307 0.000 1.274 567 P CA -0.256 62.978 63.100 0.223 0.000 0.770 567 P CB 1.276 33.098 31.700 0.203 0.000 0.867 568 V N 0.716 120.755 119.914 0.209 0.000 3.471 568 V HA 0.242 4.362 4.120 0.000 0.000 0.258 568 V C 0.642 176.748 176.094 0.020 0.000 1.192 568 V CA 0.531 62.890 62.300 0.099 0.000 1.116 568 V CB -0.227 31.471 31.823 -0.208 0.000 0.792 568 V HN 0.586 nan 8.190 nan 0.000 0.459 569 S N 1.232 116.998 115.700 0.110 0.000 2.605 569 S HA 0.734 5.204 4.470 0.000 0.000 0.279 569 S C -0.982 173.731 174.600 0.188 0.000 1.166 569 S CA -0.634 57.630 58.200 0.107 0.000 0.975 569 S CB 1.124 64.362 63.200 0.064 0.000 1.111 569 S HN 0.670 nan 8.310 nan 0.000 0.465 570 M N 2.680 122.438 119.600 0.262 0.000 2.520 570 M HA 0.789 5.269 4.480 0.000 0.000 0.280 570 M C -1.887 174.734 176.300 0.534 0.000 1.232 570 M CA -0.688 54.835 55.300 0.371 0.000 0.892 570 M CB 2.191 35.056 32.600 0.443 0.000 1.728 570 M HN 0.480 nan 8.290 nan 0.000 0.475 571 D N 0.761 121.480 120.400 0.531 0.000 2.665 571 D HA 0.665 5.305 4.640 0.000 0.000 0.287 571 D C -2.011 174.544 176.300 0.425 0.000 1.266 571 D CA -0.379 54.012 54.000 0.651 0.000 0.830 571 D CB 3.104 44.312 40.800 0.680 0.000 1.356 571 D HN 0.865 nan 8.370 nan 0.000 0.437 572 I N 0.997 121.801 120.570 0.389 0.000 2.646 572 I HA 0.627 4.797 4.170 0.000 0.000 0.299 572 I C -1.543 174.624 176.117 0.082 0.000 1.036 572 I CA -0.889 60.464 61.300 0.089 0.000 1.074 572 I CB 1.543 39.457 38.000 -0.143 0.000 1.258 572 I HN 0.282 nan 8.210 nan 0.000 0.430 573 F N 6.739 126.533 119.950 -0.259 0.000 2.518 573 F HA 0.523 5.050 4.527 0.000 0.000 0.323 573 F C -0.351 175.398 175.800 -0.085 0.000 1.129 573 F CA -0.775 57.008 58.000 -0.361 0.000 0.920 573 F CB 1.212 39.546 39.000 -1.109 0.000 1.160 573 F HN 0.410 nan 8.300 nan 0.000 0.440 574 R N 4.021 124.370 120.500 -0.251 0.000 2.220 574 R HA 0.286 4.626 4.340 0.000 0.000 0.340 574 R C 1.345 177.724 176.300 0.132 0.000 1.076 574 R CA 0.576 56.667 56.100 -0.016 0.000 0.920 574 R CB 0.620 30.977 30.300 0.095 0.000 1.062 574 R HN 0.985 nan 8.270 nan 0.000 0.469 575 G N 4.923 113.910 108.800 0.312 0.000 2.545 575 G HA2 -0.390 3.570 3.960 0.000 0.000 0.222 575 G HA3 -0.390 3.570 3.960 0.000 0.000 0.222 575 G C 1.249 176.387 174.900 0.397 0.000 1.126 575 G CA 1.084 46.541 45.100 0.595 0.000 0.754 575 G HN 0.785 nan 8.290 nan 0.000 0.583 576 R N -0.583 119.967 120.500 0.084 0.000 2.249 576 R HA -0.068 4.272 4.340 0.000 0.000 0.230 576 R C 1.247 177.465 176.300 -0.136 0.000 1.121 576 R CA 1.292 57.355 56.100 -0.062 0.000 0.997 576 R CB -0.594 29.619 30.300 -0.145 0.000 0.867 576 R HN 0.508 nan 8.270 nan 0.000 0.465 577 Y N 0.399 120.837 120.300 0.230 0.000 2.493 577 Y HA 0.274 4.824 4.550 0.000 0.000 0.275 577 Y C 2.278 178.260 175.900 0.137 0.000 1.183 577 Y CA -0.627 57.564 58.100 0.153 0.000 1.258 577 Y CB 0.104 38.686 38.460 0.202 0.000 1.108 577 Y HN -0.017 nan 8.280 nan 0.000 0.521 578 R N 1.290 122.025 120.500 0.392 0.000 2.113 578 R HA -0.210 4.130 4.340 0.000 0.000 0.244 578 R C 1.603 177.886 176.300 -0.027 0.000 1.142 578 R CA 1.917 58.148 56.100 0.219 0.000 0.953 578 R CB 0.094 30.372 30.300 -0.037 0.000 0.860 578 R HN 0.304 nan 8.270 nan 0.000 0.438 579 K N -1.391 118.988 120.400 -0.036 0.000 2.166 579 K HA 0.018 4.338 4.320 0.000 0.000 0.201 579 K C -0.001 176.556 176.600 -0.073 0.000 1.052 579 K CA 0.464 56.708 56.287 -0.072 0.000 0.969 579 K CB 0.358 32.825 32.500 -0.054 0.000 0.761 579 K HN 0.086 nan 8.250 nan 0.000 0.459 580 D N -1.191 119.188 120.400 -0.036 0.000 2.966 580 D HA 0.100 4.740 4.640 0.000 0.000 0.222 580 D C -0.046 176.322 176.300 0.114 0.000 1.292 580 D CA -0.451 53.546 54.000 -0.004 0.000 0.907 580 D CB 0.913 41.752 40.800 0.065 0.000 1.621 580 D HN -0.226 nan 8.370 nan 0.000 0.557 581 F N 1.921 122.003 119.950 0.221 0.000 2.293 581 F HA 0.024 4.551 4.527 0.000 0.000 0.300 581 F C 2.402 178.194 175.800 -0.014 0.000 1.086 581 F CA 1.139 59.189 58.000 0.084 0.000 1.375 581 F CB -0.294 38.642 39.000 -0.106 0.000 1.045 581 F HN 0.497 nan 8.300 nan 0.000 0.516 582 A N -1.023 121.933 122.820 0.228 0.000 2.081 582 A HA 0.072 4.392 4.320 0.000 0.000 0.214 582 A C 0.831 178.522 177.584 0.178 0.000 1.158 582 A CA 0.464 52.575 52.037 0.124 0.000 0.724 582 A CB -0.197 18.848 19.000 0.074 0.000 0.826 582 A HN 0.115 nan 8.150 nan 0.000 0.463 583 K N 1.172 121.703 120.400 0.219 0.000 2.592 583 K HA 0.325 4.645 4.320 0.000 0.000 0.212 583 K C -3.010 173.724 176.600 0.223 0.000 1.013 583 K CA -2.179 54.222 56.287 0.191 0.000 1.034 583 K CB 1.806 34.374 32.500 0.113 0.000 1.292 583 K HN 0.125 nan 8.250 nan 0.000 0.521 584 P HA 0.001 nan 4.420 nan 0.000 0.268 584 P C -0.726 176.645 177.300 0.118 0.000 1.205 584 P CA 0.030 63.240 63.100 0.184 0.000 0.771 584 P CB 0.929 32.742 31.700 0.189 0.000 0.858 585 E N 0.482 120.642 120.200 -0.067 0.000 2.331 585 E HA 0.538 4.888 4.350 0.000 0.000 0.275 585 E C -0.826 175.374 176.600 -0.666 0.000 0.895 585 E CA -1.101 55.078 56.400 -0.369 0.000 0.753 585 E CB 2.292 31.882 29.700 -0.182 0.000 1.216 585 E HN 0.481 nan 8.360 nan 0.000 0.434 586 A N 3.518 125.651 122.820 -1.146 0.000 2.445 586 A HA 0.329 4.649 4.320 0.000 0.000 0.242 586 A C -0.199 177.216 177.584 -0.282 0.000 1.075 586 A CA -0.059 51.481 52.037 -0.829 0.000 0.777 586 A CB 0.140 18.712 19.000 -0.712 0.000 1.013 586 A HN 0.546 nan 8.150 nan 0.000 0.493 587 L N 1.246 122.416 121.223 -0.087 0.000 2.399 587 L HA 0.323 4.663 4.340 0.000 0.000 0.266 587 L C 0.083 176.959 176.870 0.009 0.000 1.114 587 L CA -0.644 54.206 54.840 0.015 0.000 0.804 587 L CB 0.797 42.944 42.059 0.147 0.000 1.146 587 L HN 0.698 nan 8.230 nan 0.000 0.451 588 Q N 2.518 122.329 119.800 0.019 0.000 2.279 588 Q HA 0.277 4.617 4.340 0.000 0.000 0.256 588 Q C -2.309 173.721 176.000 0.049 0.000 0.937 588 Q CA -1.507 54.306 55.803 0.017 0.000 0.933 588 Q CB 0.626 29.366 28.738 0.004 0.000 1.189 588 Q HN 0.233 nan 8.270 nan 0.000 0.417 589 P HA -0.089 nan 4.420 nan 0.000 0.264 589 P C -0.579 176.755 177.300 0.056 0.000 1.193 589 P CA 0.425 63.559 63.100 0.056 0.000 0.763 589 P CB 0.497 32.222 31.700 0.042 0.000 0.810 590 D N -0.692 119.751 120.400 0.072 0.000 3.046 590 D HA -0.196 4.444 4.640 0.000 0.000 0.210 590 D C 0.144 176.480 176.300 0.060 0.000 1.124 590 D CA 1.536 55.575 54.000 0.065 0.000 0.986 590 D CB -1.428 39.399 40.800 0.045 0.000 1.118 590 D HN 0.525 nan 8.370 nan 0.000 0.416 591 A N 0.592 123.451 122.820 0.065 0.000 2.320 591 A HA 0.479 4.799 4.320 0.000 0.000 0.287 591 A C 0.626 178.250 177.584 0.066 0.000 1.181 591 A CA 0.060 52.125 52.037 0.047 0.000 0.831 591 A CB 0.622 19.642 19.000 0.033 0.000 1.102 591 A HN 0.011 nan 8.150 nan 0.000 0.513 592 T N 4.246 118.824 114.554 0.041 0.000 2.751 592 T HA 0.380 4.730 4.350 0.000 0.000 0.290 592 T C 0.001 174.740 174.700 0.064 0.000 0.919 592 T CA 0.610 62.743 62.100 0.056 0.000 1.136 592 T CB -0.674 68.192 68.868 -0.004 0.000 0.875 592 T HN 0.417 nan 8.240 nan 0.000 0.532 593 L N 2.895 124.159 121.223 0.068 0.000 2.334 593 L HA 0.435 4.775 4.340 0.000 0.000 0.273 593 L C 0.538 177.315 176.870 -0.155 0.000 1.013 593 L CA -1.056 53.748 54.840 -0.061 0.000 0.816 593 L CB 1.529 43.487 42.059 -0.168 0.000 1.278 593 L HN 0.635 nan 8.230 nan 0.000 0.431 594 H N 1.930 120.754 119.070 -0.410 0.000 2.652 594 H HA 0.315 4.871 4.556 0.000 0.000 0.298 594 H C -1.479 173.436 175.328 -0.688 0.000 1.076 594 H CA -0.528 55.148 56.048 -0.620 0.000 1.360 594 H CB 0.536 30.019 29.762 -0.465 0.000 1.421 594 H HN 0.405 nan 8.280 nan 0.000 0.464 595 Y N 3.203 123.278 120.300 -0.375 0.000 2.377 595 Y HA 0.204 4.754 4.550 0.000 0.000 0.339 595 Y C -0.325 175.336 175.900 -0.399 0.000 1.011 595 Y CA -0.786 57.060 58.100 -0.423 0.000 1.093 595 Y CB 1.503 39.739 38.460 -0.374 0.000 1.201 595 Y HN 0.691 nan 8.280 nan 0.000 0.455 596 H N 4.433 123.292 119.070 -0.351 0.000 3.172 596 H HA 0.507 5.063 4.556 0.000 0.000 0.322 596 H C -1.774 173.499 175.328 -0.093 0.000 1.003 596 H CA -1.065 54.792 56.048 -0.318 0.000 1.466 596 H CB 0.442 29.958 29.762 -0.410 0.000 1.673 596 H HN 0.506 nan 8.280 nan 0.000 0.512 597 F N 1.286 121.000 119.950 -0.393 0.000 2.608 597 F HA 0.491 5.018 4.527 0.000 0.000 0.309 597 F C -0.558 175.204 175.800 -0.062 0.000 1.103 597 F CA -1.163 56.723 58.000 -0.189 0.000 0.954 597 F CB 0.822 39.592 39.000 -0.383 0.000 1.267 597 F HN 0.360 nan 8.300 nan 0.000 0.444 598 T N 1.366 116.095 114.554 0.292 0.000 2.918 598 T HA 0.612 4.962 4.350 0.000 0.000 0.302 598 T C -0.283 174.642 174.700 0.376 0.000 1.045 598 T CA -0.491 61.740 62.100 0.218 0.000 1.114 598 T CB 0.994 70.001 68.868 0.231 0.000 0.965 598 T HN 0.707 nan 8.240 nan 0.000 0.540 599 L N 2.103 123.442 121.223 0.194 0.000 2.304 599 L HA 0.531 4.871 4.340 0.000 0.000 0.268 599 L C -2.262 174.709 176.870 0.168 0.000 1.010 599 L CA -3.176 51.809 54.840 0.242 0.000 0.813 599 L CB 1.518 43.659 42.059 0.137 0.000 1.315 599 L HN 0.413 nan 8.230 nan 0.000 0.445 600 P HA -0.027 nan 4.420 nan 0.000 0.264 600 P C -0.684 176.625 177.300 0.015 0.000 1.179 600 P CA -0.026 63.124 63.100 0.082 0.000 0.763 600 P CB 0.417 32.161 31.700 0.075 0.000 0.806 601 A N 2.998 125.810 122.820 -0.013 0.000 2.466 601 A HA 0.411 4.731 4.320 0.000 0.000 0.238 601 A C 0.270 177.821 177.584 -0.055 0.000 1.074 601 A CA 0.100 52.143 52.037 0.010 0.000 0.774 601 A CB -0.261 18.796 19.000 0.096 0.000 1.015 601 A HN 0.474 nan 8.150 nan 0.000 0.498 602 V N -0.761 119.154 119.914 0.001 0.000 2.962 602 V HA 0.858 4.978 4.120 0.000 0.000 0.313 602 V C -0.611 175.491 176.094 0.014 0.000 1.099 602 V CA -0.835 61.431 62.300 -0.056 0.000 0.971 602 V CB 2.183 33.995 31.823 -0.018 0.000 1.028 602 V HN 0.899 nan 8.190 nan 0.000 0.430 603 N N 0.853 119.521 118.700 -0.053 0.000 2.751 603 N HA 0.410 5.150 4.740 0.000 0.000 0.234 603 N C -1.264 174.219 175.510 -0.045 0.000 1.403 603 N CA -0.166 52.875 53.050 -0.015 0.000 0.747 603 N CB 0.454 38.898 38.487 -0.072 0.000 1.326 603 N HN 1.132 nan 8.380 nan 0.000 0.532 604 H N -0.271 118.694 119.070 -0.175 0.000 2.949 604 H HA 0.775 5.331 4.556 0.000 0.000 0.356 604 H C -1.395 173.770 175.328 -0.272 0.000 1.212 604 H CA -0.677 55.204 56.048 -0.279 0.000 1.136 604 H CB 1.735 31.245 29.762 -0.421 0.000 1.869 604 H HN -0.051 nan 8.280 nan 0.000 0.556 605 V N 3.419 122.765 119.914 -0.946 0.000 2.488 605 V HA 0.231 4.351 4.120 0.000 0.000 0.293 605 V C -0.944 174.694 176.094 -0.760 0.000 1.027 605 V CA -0.637 61.309 62.300 -0.591 0.000 0.862 605 V CB 0.896 32.497 31.823 -0.369 0.000 1.008 605 V HN 0.587 nan 8.190 nan 0.000 0.428 606 F N 3.946 123.768 119.950 -0.214 0.000 2.439 606 F HA 0.597 5.124 4.527 0.000 0.000 0.356 606 F C 1.076 176.757 175.800 -0.200 0.000 1.161 606 F CA 0.014 57.935 58.000 -0.132 0.000 1.151 606 F CB 0.639 39.686 39.000 0.077 0.000 1.222 606 F HN 0.589 nan 8.300 nan 0.000 0.558 607 A N 4.336 126.958 122.820 -0.330 0.000 2.280 607 A HA 0.373 4.693 4.320 0.000 0.000 0.268 607 A C 0.362 177.987 177.584 0.068 0.000 1.111 607 A CA -0.816 51.105 52.037 -0.194 0.000 0.814 607 A CB 0.395 19.224 19.000 -0.285 0.000 1.093 607 A HN 0.685 nan 8.150 nan 0.000 0.498 608 K N -0.514 119.951 120.400 0.108 0.000 2.448 608 K HA 0.332 4.652 4.320 0.000 0.000 0.278 608 K C 1.152 177.896 176.600 0.240 0.000 1.009 608 K CA 1.184 57.560 56.287 0.147 0.000 0.995 608 K CB 0.174 32.729 32.500 0.092 0.000 0.917 608 K HN 1.337 nan 8.250 nan 0.000 0.481 609 G N 1.608 110.520 108.800 0.187 0.000 2.268 609 G HA2 -0.239 3.721 3.960 0.000 0.000 0.240 609 G HA3 -0.239 3.721 3.960 0.000 0.000 0.240 609 G C 0.185 175.162 174.900 0.128 0.000 1.010 609 G CA -0.199 44.982 45.100 0.136 0.000 0.618 609 G HN 0.755 nan 8.290 nan 0.000 0.516 610 H N 0.296 119.429 119.070 0.105 0.000 2.490 610 H HA 0.684 5.240 4.556 0.000 0.000 0.354 610 H C 0.538 175.944 175.328 0.130 0.000 1.365 610 H CA -0.107 56.027 56.048 0.143 0.000 1.413 610 H CB 0.772 30.663 29.762 0.216 0.000 1.631 610 H HN 0.239 nan 8.280 nan 0.000 0.607 611 R N 0.239 120.906 120.500 0.277 0.000 2.771 611 R HA 0.435 4.775 4.340 0.000 0.000 0.274 611 R C -0.806 175.564 176.300 0.116 0.000 0.987 611 R CA -0.807 55.381 56.100 0.147 0.000 0.908 611 R CB 2.083 32.438 30.300 0.091 0.000 1.213 611 R HN 0.415 nan 8.270 nan 0.000 0.468 612 I N 2.621 123.145 120.570 -0.077 0.000 2.353 612 I HA 0.400 4.570 4.170 0.000 0.000 0.293 612 I C -0.018 176.038 176.117 -0.101 0.000 0.992 612 I CA -0.416 60.720 61.300 -0.275 0.000 1.268 612 I CB 1.588 39.222 38.000 -0.611 0.000 1.387 612 I HN 0.426 nan 8.210 nan 0.000 0.478 613 M N 6.701 126.290 119.600 -0.018 0.000 2.518 613 M HA 0.661 5.141 4.480 0.000 0.000 0.300 613 M C -2.025 174.302 176.300 0.046 0.000 1.175 613 M CA -0.586 54.733 55.300 0.033 0.000 0.890 613 M CB 2.428 35.071 32.600 0.072 0.000 1.710 613 M HN 0.311 nan 8.290 nan 0.000 0.453 614 V N 3.622 123.581 119.914 0.076 0.000 2.588 614 V HA 0.483 4.603 4.120 0.000 0.000 0.304 614 V C -0.969 175.215 176.094 0.149 0.000 1.042 614 V CA -0.550 61.800 62.300 0.084 0.000 0.877 614 V CB 2.014 33.849 31.823 0.020 0.000 0.996 614 V HN 0.882 nan 8.190 nan 0.000 0.425 615 Q N 4.015 123.878 119.800 0.106 0.000 2.353 615 Q HA 0.721 5.061 4.340 0.000 0.000 0.268 615 Q C -1.426 174.606 176.000 0.054 0.000 1.045 615 Q CA -0.563 55.291 55.803 0.084 0.000 0.811 615 Q CB 3.090 31.856 28.738 0.048 0.000 1.305 615 Q HN 0.648 nan 8.270 nan 0.000 0.447 616 I N 2.628 123.220 120.570 0.038 0.000 2.498 616 I HA 0.348 4.518 4.170 0.000 0.000 0.290 616 I C -0.432 175.597 176.117 -0.148 0.000 1.032 616 I CA -0.527 60.791 61.300 0.030 0.000 1.073 616 I CB 1.870 39.972 38.000 0.170 0.000 1.251 616 I HN 0.613 nan 8.210 nan 0.000 0.426 617 Q N 2.895 122.641 119.800 -0.089 0.000 2.693 617 Q HA 0.569 4.909 4.340 0.000 0.000 0.306 617 Q C -1.135 174.907 176.000 0.071 0.000 0.969 617 Q CA -0.908 54.811 55.803 -0.141 0.000 0.757 617 Q CB 2.011 30.651 28.738 -0.163 0.000 1.494 617 Q HN 0.400 nan 8.270 nan 0.000 0.459 618 S N -0.017 115.747 115.700 0.107 0.000 2.730 618 S HA 0.269 4.740 4.470 0.000 0.000 0.244 618 S C -0.637 173.948 174.600 -0.024 0.000 1.022 618 S CA 0.269 58.454 58.200 -0.025 0.000 1.014 618 S CB 0.512 63.652 63.200 -0.100 0.000 0.963 618 S HN 0.620 nan 8.310 nan 0.000 0.540 619 S N -0.182 115.544 115.700 0.042 0.000 2.579 619 S HA 0.755 5.225 4.470 0.000 0.000 0.272 619 S C -2.071 172.704 174.600 0.292 0.000 1.141 619 S CA -0.661 57.630 58.200 0.152 0.000 0.843 619 S CB 1.584 64.875 63.200 0.152 0.000 1.122 619 S HN 0.238 nan 8.310 nan 0.000 0.468 620 W N 1.967 123.403 121.300 0.228 0.000 1.896 620 W HA 0.490 5.150 4.660 0.000 0.000 0.302 620 W C -2.065 174.619 176.519 0.275 0.000 1.016 620 W CA -1.712 55.795 57.345 0.270 0.000 1.200 620 W CB 0.828 30.444 29.460 0.260 0.000 1.226 620 W HN 0.669 nan 8.180 nan 0.000 0.308 621 F N 5.033 125.166 119.950 0.306 0.000 2.425 621 F HA 0.597 5.124 4.527 0.000 0.000 0.331 621 F C -1.220 174.731 175.800 0.252 0.000 1.085 621 F CA -2.513 55.559 58.000 0.119 0.000 1.028 621 F CB 1.692 40.690 39.000 -0.003 0.000 1.177 621 F HN -0.076 nan 8.300 nan 0.000 0.487 622 P HA 0.020 nan 4.420 nan 0.000 0.261 622 P C 1.323 178.040 177.300 -0.971 0.000 1.352 622 P CA 0.246 62.527 63.100 -1.364 0.000 0.891 622 P CB 0.277 31.210 31.700 -1.279 0.000 1.383 623 L N -0.039 120.585 121.223 -1.000 0.000 2.013 623 L HA -0.048 4.292 4.340 0.000 0.000 0.212 623 L C 0.299 176.561 176.870 -1.013 0.000 1.073 623 L CA 1.808 55.938 54.840 -1.184 0.000 0.753 623 L CB -1.211 39.661 42.059 -1.979 0.000 0.890 623 L HN -0.113 nan 8.230 nan 0.000 0.432 624 Y N 0.546 120.575 120.300 -0.451 0.000 2.360 624 Y HA 0.327 4.877 4.550 0.000 0.000 0.337 624 Y C 0.089 175.974 175.900 -0.025 0.000 1.039 624 Y CA -1.846 56.125 58.100 -0.215 0.000 1.109 624 Y CB 0.550 39.006 38.460 -0.008 0.000 1.201 624 Y HN 0.210 nan 8.280 nan 0.000 0.458 625 D N 1.996 122.520 120.400 0.207 0.000 2.382 625 D HA 0.052 4.692 4.640 0.000 0.000 0.240 625 D C -0.442 176.092 176.300 0.391 0.000 1.146 625 D CA -0.414 53.805 54.000 0.365 0.000 0.897 625 D CB 0.691 41.765 40.800 0.457 0.000 1.197 625 D HN 0.471 nan 8.370 nan 0.000 0.432 626 R N 1.198 121.949 120.500 0.418 0.000 2.491 626 R HA 0.132 4.472 4.340 0.000 0.000 0.283 626 R C 0.593 177.048 176.300 0.259 0.000 1.072 626 R CA -0.537 55.736 56.100 0.288 0.000 1.048 626 R CB 0.251 30.655 30.300 0.173 0.000 0.983 626 R HN 0.442 nan 8.270 nan 0.000 0.450 627 N N 4.318 123.099 118.700 0.136 0.000 2.442 627 N HA 0.041 4.781 4.740 0.000 0.000 0.265 627 N C -1.674 173.845 175.510 0.015 0.000 1.138 627 N CA -1.700 51.372 53.050 0.037 0.000 0.956 627 N CB 1.175 39.640 38.487 -0.037 0.000 1.067 627 N HN 0.351 nan 8.380 nan 0.000 0.474 628 P HA -0.125 nan 4.420 nan 0.000 0.225 628 P C -0.312 176.912 177.300 -0.126 0.000 1.148 628 P CA 0.979 63.879 63.100 -0.333 0.000 0.779 628 P CB 0.287 31.596 31.700 -0.652 0.000 0.780 629 Q N -2.203 117.548 119.800 -0.082 0.000 2.460 629 Q HA -0.176 4.164 4.340 0.000 0.000 0.248 629 Q C 0.158 176.148 176.000 -0.017 0.000 0.847 629 Q CA 0.969 56.745 55.803 -0.045 0.000 1.214 629 Q CB -1.484 27.232 28.738 -0.035 0.000 1.523 629 Q HN 0.335 nan 8.270 nan 0.000 0.602 630 K N 0.365 120.743 120.400 -0.036 0.000 2.507 630 K HA 0.359 4.679 4.320 0.000 0.000 0.251 630 K C -1.274 175.336 176.600 0.017 0.000 0.943 630 K CA -0.758 55.531 56.287 0.003 0.000 0.794 630 K CB 0.925 33.406 32.500 -0.031 0.000 1.188 630 K HN 0.003 nan 8.250 nan 0.000 0.428 631 F N 5.765 125.684 119.950 -0.053 0.000 2.519 631 F HA 0.133 4.660 4.527 0.000 0.000 0.375 631 F C -0.259 175.508 175.800 -0.054 0.000 1.084 631 F CA 0.085 58.051 58.000 -0.055 0.000 1.147 631 F CB 0.356 39.334 39.000 -0.037 0.000 1.088 631 F HN 0.198 nan 8.300 nan 0.000 0.555 632 V N 4.923 124.439 119.914 -0.663 0.000 2.815 632 V HA 0.543 4.663 4.120 0.000 0.000 0.314 632 V C -2.208 173.422 176.094 -0.772 0.000 1.064 632 V CA -1.944 60.038 62.300 -0.531 0.000 0.952 632 V CB 1.511 33.160 31.823 -0.291 0.000 1.020 632 V HN 0.512 nan 8.190 nan 0.000 0.439 633 P HA -0.034 nan 4.420 nan 0.000 0.216 633 P C 0.134 177.283 177.300 -0.251 0.000 1.150 633 P CA 1.369 64.272 63.100 -0.329 0.000 0.837 633 P CB 0.122 31.735 31.700 -0.144 0.000 0.786 634 N N -1.028 117.553 118.700 -0.198 0.000 2.533 634 N HA 0.182 4.922 4.740 0.000 0.000 0.289 634 N C 0.507 175.955 175.510 -0.103 0.000 1.103 634 N CA -0.379 52.591 53.050 -0.133 0.000 0.877 634 N CB 0.741 39.176 38.487 -0.087 0.000 1.419 634 N HN -0.203 nan 8.380 nan 0.000 0.517 635 I N 2.271 122.745 120.570 -0.160 0.000 2.567 635 I HA -0.198 3.972 4.170 0.000 0.000 0.257 635 I C 1.438 177.588 176.117 0.054 0.000 1.184 635 I CA 1.028 62.264 61.300 -0.108 0.000 1.451 635 I CB -0.141 37.782 38.000 -0.128 0.000 1.089 635 I HN 0.493 nan 8.210 nan 0.000 0.441 636 F N 0.921 120.953 119.950 0.138 0.000 2.216 636 F HA -0.233 4.294 4.527 0.000 0.000 0.300 636 F C 1.618 177.580 175.800 0.271 0.000 1.085 636 F CA 0.756 58.906 58.000 0.250 0.000 1.326 636 F CB -0.064 39.099 39.000 0.272 0.000 1.027 636 F HN 0.136 nan 8.300 nan 0.000 0.497 637 D N 0.440 121.058 120.400 0.362 0.000 2.358 637 D HA 0.172 4.812 4.640 0.000 0.000 0.224 637 D C 0.561 176.962 176.300 0.168 0.000 1.123 637 D CA 0.129 54.291 54.000 0.270 0.000 0.833 637 D CB -0.243 40.693 40.800 0.226 0.000 0.946 637 D HN 0.019 nan 8.370 nan 0.000 0.505 638 A N 1.138 124.046 122.820 0.147 0.000 2.540 638 A HA 0.081 4.401 4.320 0.000 0.000 0.239 638 A C 0.807 178.493 177.584 0.169 0.000 1.061 638 A CA 0.276 52.341 52.037 0.048 0.000 0.758 638 A CB 0.615 19.540 19.000 -0.126 0.000 0.991 638 A HN -0.151 nan 8.150 nan 0.000 0.502 639 K N 2.457 122.923 120.400 0.110 0.000 2.123 639 K HA 0.335 4.655 4.320 0.000 0.000 0.248 639 K C -1.928 174.830 176.600 0.263 0.000 0.969 639 K CA -2.091 54.296 56.287 0.166 0.000 0.882 639 K CB 0.823 33.379 32.500 0.093 0.000 1.080 639 K HN 0.250 nan 8.250 nan 0.000 0.441 640 P HA -0.218 nan 4.420 nan 0.000 0.216 640 P C 0.795 178.237 177.300 0.238 0.000 1.154 640 P CA 1.670 64.913 63.100 0.238 0.000 0.865 640 P CB 0.182 31.950 31.700 0.114 0.000 0.789 641 A N -1.007 121.899 122.820 0.143 0.000 2.209 641 A HA -0.127 4.193 4.320 0.000 0.000 0.212 641 A C 1.741 179.368 177.584 0.072 0.000 1.158 641 A CA 1.309 53.404 52.037 0.098 0.000 0.742 641 A CB -0.916 18.121 19.000 0.062 0.000 0.790 641 A HN 0.091 nan 8.150 nan 0.000 0.472 642 D N -1.093 119.332 120.400 0.042 0.000 2.194 642 D HA -0.011 4.629 4.640 0.000 0.000 0.204 642 D C -0.253 175.955 176.300 -0.154 0.000 0.964 642 D CA 0.601 54.540 54.000 -0.102 0.000 0.846 642 D CB -0.234 40.426 40.800 -0.233 0.000 0.962 642 D HN 0.540 nan 8.370 nan 0.000 0.490 643 Y N 1.297 121.605 120.300 0.014 0.000 2.605 643 Y HA 0.130 4.680 4.550 0.000 0.000 0.336 643 Y C 0.686 176.590 175.900 0.007 0.000 1.111 643 Y CA 0.249 58.352 58.100 0.005 0.000 1.422 643 Y CB 0.330 38.787 38.460 -0.005 0.000 1.193 643 Y HN -0.342 nan 8.280 nan 0.000 0.526 644 T N 3.194 117.806 114.554 0.097 0.000 2.824 644 T HA 0.398 4.748 4.350 0.000 0.000 0.282 644 T C -0.392 174.346 174.700 0.063 0.000 0.993 644 T CA -0.849 61.292 62.100 0.067 0.000 0.967 644 T CB 1.343 70.230 68.868 0.032 0.000 0.960 644 T HN 0.221 nan 8.240 nan 0.000 0.441 645 V N 2.596 122.547 119.914 0.063 0.000 2.572 645 V HA 0.578 4.698 4.120 0.000 0.000 0.291 645 V C 0.492 176.608 176.094 0.036 0.000 1.039 645 V CA -0.087 62.248 62.300 0.057 0.000 1.055 645 V CB 0.508 32.369 31.823 0.063 0.000 0.969 645 V HN 1.126 nan 8.190 nan 0.000 0.482 646 A N 3.800 126.632 122.820 0.020 0.000 2.498 646 A HA 0.785 5.105 4.320 0.000 0.000 0.298 646 A C -0.286 177.285 177.584 -0.021 0.000 1.075 646 A CA -0.592 51.446 52.037 0.001 0.000 0.714 646 A CB 1.849 20.839 19.000 -0.015 0.000 1.299 646 A HN 0.644 nan 8.150 nan 0.000 0.407 647 T N 2.939 117.482 114.554 -0.019 0.000 2.749 647 T HA 0.457 4.807 4.350 0.000 0.000 0.287 647 T C -0.536 174.119 174.700 -0.074 0.000 0.970 647 T CA -0.315 61.759 62.100 -0.043 0.000 0.980 647 T CB 0.664 69.532 68.868 -0.001 0.000 0.924 647 T HN 0.573 nan 8.240 nan 0.000 0.456 648 Q N 1.961 121.619 119.800 -0.237 0.000 2.245 648 Q HA 0.599 4.939 4.340 0.000 0.000 0.256 648 Q C -0.717 175.202 176.000 -0.135 0.000 0.942 648 Q CA -0.645 55.024 55.803 -0.223 0.000 0.896 648 Q CB 1.929 30.283 28.738 -0.639 0.000 1.272 648 Q HN 0.501 nan 8.270 nan 0.000 0.442 649 S N 2.291 118.024 115.700 0.055 0.000 2.647 649 S HA 0.509 4.979 4.470 0.000 0.000 0.300 649 S C -0.304 174.371 174.600 0.125 0.000 1.129 649 S CA -0.683 57.575 58.200 0.097 0.000 1.029 649 S CB 0.860 64.111 63.200 0.086 0.000 1.007 649 S HN 0.374 nan 8.310 nan 0.000 0.484 650 I N 3.200 123.880 120.570 0.184 0.000 2.321 650 I HA 0.284 4.454 4.170 0.000 0.000 0.291 650 I C 0.339 176.540 176.117 0.141 0.000 0.998 650 I CA -0.406 60.993 61.300 0.165 0.000 1.227 650 I CB 0.494 38.640 38.000 0.244 0.000 1.368 650 I HN 0.722 nan 8.210 nan 0.000 0.466 651 H N 6.188 125.273 119.070 0.025 0.000 2.525 651 H HA 0.421 4.977 4.556 0.000 0.000 0.339 651 H C -0.542 174.755 175.328 -0.051 0.000 1.109 651 H CA 0.077 56.081 56.048 -0.074 0.000 1.352 651 H CB 0.596 30.307 29.762 -0.085 0.000 1.461 651 H HN 0.693 nan 8.280 nan 0.000 0.533 652 H N 2.031 120.893 119.070 -0.347 0.000 2.717 652 H HA 0.616 5.173 4.556 0.000 0.000 0.366 652 H C 0.248 175.447 175.328 -0.216 0.000 1.132 652 H CA -0.696 55.234 56.048 -0.197 0.000 1.180 652 H CB 1.258 30.913 29.762 -0.179 0.000 1.678 652 H HN 1.011 nan 8.280 nan 0.000 0.537 653 G N 0.311 109.130 108.800 0.031 0.000 2.795 653 G HA2 0.321 4.281 3.960 0.000 0.000 0.664 653 G HA3 0.321 4.281 3.960 0.000 0.000 0.664 653 G C 0.486 175.430 174.900 0.073 0.000 1.381 653 G CA 0.310 45.423 45.100 0.021 0.000 0.853 653 G HN 2.158 nan 8.290 nan 0.000 0.545 654 G N -0.420 108.447 108.800 0.110 0.000 2.564 654 G HA2 -0.197 3.763 3.960 0.000 0.000 0.273 654 G HA3 -0.197 3.763 3.960 0.000 0.000 0.273 654 G C 0.969 175.889 174.900 0.034 0.000 1.242 654 G CA 1.144 46.274 45.100 0.049 0.000 0.951 654 G HN 1.545 nan 8.290 nan 0.000 0.564 655 K N 0.929 121.256 120.400 -0.121 0.000 2.366 655 K HA 0.103 4.423 4.320 0.000 0.000 0.198 655 K C 1.133 177.422 176.600 -0.518 0.000 1.044 655 K CA 1.277 57.434 56.287 -0.216 0.000 0.973 655 K CB 0.122 32.503 32.500 -0.199 0.000 0.767 655 K HN 0.530 nan 8.250 nan 0.000 0.475 656 E N 0.666 120.460 120.200 -0.678 0.000 3.269 656 E HA 0.189 4.539 4.350 0.000 0.000 0.221 656 E C -1.207 174.888 176.600 -0.840 0.000 1.113 656 E CA -0.396 55.129 56.400 -1.458 0.000 1.385 656 E CB 1.245 30.261 29.700 -1.140 0.000 1.345 656 E HN 0.132 nan 8.360 nan 0.000 0.435 657 A N 1.438 123.965 122.820 -0.489 0.000 2.544 657 A HA 0.159 4.480 4.320 0.000 0.000 0.301 657 A C 0.501 178.172 177.584 0.146 0.000 1.368 657 A CA -0.161 51.822 52.037 -0.091 0.000 1.045 657 A CB -0.167 18.692 19.000 -0.236 0.000 1.129 657 A HN 0.118 nan 8.150 nan 0.000 0.540 658 T N 2.595 117.280 114.554 0.219 0.000 2.928 658 T HA 0.407 4.757 4.350 0.000 0.000 0.305 658 T C 0.675 175.391 174.700 0.027 0.000 1.035 658 T CA 1.042 63.267 62.100 0.209 0.000 1.145 658 T CB 0.165 69.091 68.868 0.095 0.000 0.963 658 T HN 1.265 nan 8.240 nan 0.000 0.545 659 S N 2.308 117.967 115.700 -0.068 0.000 2.636 659 S HA 0.630 5.100 4.470 0.000 0.000 0.268 659 S C -1.673 172.785 174.600 -0.238 0.000 1.159 659 S CA -1.087 56.977 58.200 -0.228 0.000 0.815 659 S CB 1.165 64.090 63.200 -0.459 0.000 1.130 659 S HN 0.394 nan 8.310 nan 0.000 0.471 660 I N 2.195 122.605 120.570 -0.266 0.000 2.330 660 I HA 0.333 4.503 4.170 0.000 0.000 0.289 660 I C -0.445 175.546 176.117 -0.210 0.000 1.001 660 I CA -0.761 60.405 61.300 -0.223 0.000 1.193 660 I CB 1.146 39.042 38.000 -0.173 0.000 1.345 660 I HN 0.669 nan 8.210 nan 0.000 0.461 661 L N 7.043 128.152 121.223 -0.189 0.000 2.433 661 L HA 0.250 4.590 4.340 0.000 0.000 0.284 661 L C 0.098 176.914 176.870 -0.089 0.000 1.120 661 L CA -0.078 54.679 54.840 -0.138 0.000 0.879 661 L CB -0.148 41.844 42.059 -0.113 0.000 1.232 661 L HN 0.337 nan 8.230 nan 0.000 0.454 662 L N 6.462 127.661 121.223 -0.041 0.000 2.326 662 L HA 0.321 4.661 4.340 0.000 0.000 0.278 662 L C -1.663 175.214 176.870 0.012 0.000 1.092 662 L CA -1.692 53.160 54.840 0.019 0.000 0.810 662 L CB 1.331 43.454 42.059 0.106 0.000 1.153 662 L HN 0.354 nan 8.230 nan 0.000 0.439 663 P HA 0.065 nan 4.420 nan 0.000 0.220 663 P C -0.238 177.056 177.300 -0.010 0.000 1.806 663 P CA -0.118 62.958 63.100 -0.040 0.000 0.976 663 P CB -0.024 31.630 31.700 -0.077 0.000 1.952 664 V N 2.624 122.542 119.914 0.005 0.000 2.529 664 V HA 0.070 4.190 4.120 0.000 0.000 0.292 664 V C 1.124 177.198 176.094 -0.033 0.000 1.028 664 V CA 0.243 62.543 62.300 -0.000 0.000 1.074 664 V CB 0.979 32.776 31.823 -0.043 0.000 0.958 664 V HN 0.259 nan 8.190 nan 0.000 0.481 665 V N 3.181 123.082 119.914 -0.021 0.000 3.126 665 V HA 0.766 4.886 4.120 0.000 0.000 0.314 665 V C -0.289 175.794 176.094 -0.019 0.000 1.138 665 V CA -1.249 61.035 62.300 -0.027 0.000 1.034 665 V CB 2.149 33.959 31.823 -0.022 0.000 1.075 665 V HN 0.586 nan 8.190 nan 0.000 0.442 666 K N 0.000 120.392 120.400 -0.014 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.281 56.287 -0.011 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543