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 2pzi_1_B DATA FIRST_RESID 69 DATA SEQUENCE GSHMLGGGLV EIPRAPDIDP LEALMTNPVV PESKRFCWNC GRPVGRXXXX DATA SEQUENCE XXXGASEGWC PYCGSPYSFL PQLNPGDIVA GQYEVKGCIA HGGLGWIYLA DATA SEQUENCE LDRNVNGRPV VLKGLVHSGD AEAQAMAMAE RQFLAEVVHP SIVQIFNFVE DATA SEQUENCE HTDRHGDPVG YIVMEYVGGQ SLKXXXXQKL PVAEAIAYLL EILPALSYLH DATA SEQUENCE SIGLVYNDLK PENIMLTEEQ LKLIDLGAVS RINSFGXLYG TPGFQAPEIV DATA SEQUENCE RTGPTVATDI YTVGRTLAAL TLDLPTRNGR YVDGLPEDDP VLKTYDSYGR DATA SEQUENCE LLRRAIDPDP RQRFTTAEEM SAQLTGVLRE VVAQDTGVPR PGLSTIFSPS DATA SEQUENCE RSTFGVDLLV AHTXXXXXXX XXXEKLTANE IVTALSVPLV DPTDVAASVL DATA SEQUENCE QATVLSQPVQ TLDSLRAARH GAXXXXXXDF SESVELPLME VRALLDLGDV DATA SEQUENCE AKATRKLDDL AERVGWRWRL VWYRAVAELL TGDYDSATKH FTEVLDTFPG DATA SEQUENCE ELAPKLALAA TAELAGNTDE HKFYQTVWST NDGVISAAFG LARARSAEGD DATA SEQUENCE RVGAVRTLDE VPPTSRHFTT ARLTSAVTLL SXXXXXEVTE EQIRDAARRV DATA SEQUENCE EALPPTEPRV LQIRALVLGG ALDWLKDNKA STNHILGFPF TSHGLRLGVE DATA SEQUENCE ASLRSLARVA PTQRHRYTLV DMANKVR 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 69 G HA2 0.000 nan 3.960 nan 0.000 0.244 69 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 69 G C 0.000 174.902 174.900 0.003 0.000 0.946 69 G CA 0.000 45.110 45.100 0.016 0.000 0.502 70 S N -1.187 114.512 115.700 -0.001 0.000 2.012 70 S HA -0.187 4.283 4.470 0.000 0.000 0.252 70 S C -0.073 174.488 174.600 -0.065 0.000 1.285 70 S CA 1.000 59.176 58.200 -0.039 0.000 1.201 70 S CB -2.046 61.115 63.200 -0.065 0.000 1.497 70 S HN 0.944 nan 8.310 nan 0.000 0.616 71 H N 1.177 120.251 119.070 0.006 0.000 2.668 71 H HA 0.606 5.162 4.556 -0.000 0.000 0.303 71 H C 0.071 175.396 175.328 -0.004 0.000 1.074 71 H CA -0.114 55.940 56.048 0.010 0.000 1.406 71 H CB 0.811 30.593 29.762 0.033 0.000 1.442 71 H HN 0.279 nan 8.280 nan 0.000 0.482 72 M N 5.507 125.180 119.600 0.122 0.000 3.347 72 M HA 0.194 4.674 4.480 0.000 0.000 0.260 72 M C -0.784 175.535 176.300 0.032 0.000 1.362 72 M CA 0.163 55.493 55.300 0.050 0.000 1.497 72 M CB -0.152 32.462 32.600 0.024 0.000 1.080 72 M HN 0.354 nan 8.290 nan 0.000 0.592 73 L N 0.116 121.347 121.223 0.014 0.000 2.479 73 L HA 0.633 4.973 4.340 0.000 0.000 0.249 73 L C 1.343 178.179 176.870 -0.056 0.000 1.178 73 L CA -0.663 54.161 54.840 -0.026 0.000 0.811 73 L CB 0.379 42.397 42.059 -0.067 0.000 1.187 73 L HN 0.778 nan 8.230 nan 0.000 0.480 74 G N 0.338 109.098 108.800 -0.068 0.000 2.323 74 G HA2 -0.125 3.835 3.960 0.000 0.000 0.292 74 G HA3 -0.125 3.835 3.960 0.000 0.000 0.292 74 G C 0.812 175.680 174.900 -0.052 0.000 1.040 74 G CA 0.532 45.588 45.100 -0.074 0.000 0.942 74 G HN 1.418 nan 8.290 nan 0.000 0.506 75 G N -1.209 107.570 108.800 -0.035 0.000 2.371 75 G HA2 0.267 4.227 3.960 0.000 0.000 0.299 75 G HA3 0.267 4.227 3.960 0.000 0.000 0.299 75 G C 2.082 176.966 174.900 -0.027 0.000 1.014 75 G CA 0.905 45.990 45.100 -0.026 0.000 1.097 75 G HN 2.627 nan 8.290 nan 0.000 0.512 76 G N -1.572 107.215 108.800 -0.023 0.000 2.212 76 G HA2 -0.342 3.618 3.960 0.000 0.000 0.266 76 G HA3 -0.342 3.618 3.960 0.000 0.000 0.266 76 G C 1.321 176.201 174.900 -0.033 0.000 0.978 76 G CA 0.971 46.058 45.100 -0.021 0.000 0.632 76 G HN 1.311 nan 8.290 nan 0.000 0.537 77 L N -0.214 120.982 121.223 -0.046 0.000 2.156 77 L HA 0.217 4.557 4.340 0.000 0.000 0.208 77 L C 0.970 177.799 176.870 -0.068 0.000 1.095 77 L CA 0.832 55.637 54.840 -0.057 0.000 0.770 77 L CB -0.019 42.000 42.059 -0.067 0.000 0.914 77 L HN 0.170 nan 8.230 nan 0.000 0.439 78 V N 0.511 120.378 119.914 -0.079 0.000 2.409 78 V HA 0.257 4.377 4.120 0.000 0.000 0.291 78 V C -0.357 175.699 176.094 -0.064 0.000 1.020 78 V CA -0.742 61.498 62.300 -0.099 0.000 0.848 78 V CB 1.653 33.374 31.823 -0.171 0.000 0.990 78 V HN 0.065 nan 8.190 nan 0.000 0.430 79 E N 5.168 125.342 120.200 -0.042 0.000 2.133 79 E HA 0.525 4.875 4.350 0.000 0.000 0.274 79 E C -0.819 175.788 176.600 0.012 0.000 0.930 79 E CA -0.497 55.903 56.400 -0.001 0.000 0.770 79 E CB 2.674 32.373 29.700 -0.001 0.000 1.104 79 E HN 0.685 nan 8.360 nan 0.000 0.403 80 I N 0.159 120.771 120.570 0.069 0.000 2.608 80 I HA 0.509 4.679 4.170 0.000 0.000 0.295 80 I C -2.790 173.430 176.117 0.170 0.000 1.049 80 I CA -2.850 58.512 61.300 0.103 0.000 1.063 80 I CB 2.104 40.168 38.000 0.107 0.000 1.248 80 I HN 0.076 nan 8.210 nan 0.000 0.424 81 P HA 0.189 nan 4.420 nan 0.000 0.276 81 P C -0.929 176.442 177.300 0.119 0.000 1.235 81 P CA -0.139 63.012 63.100 0.085 0.000 0.772 81 P CB 0.544 32.277 31.700 0.055 0.000 0.871 82 R N 2.081 122.570 120.500 -0.019 0.000 2.351 82 R HA 0.418 4.758 4.340 0.000 0.000 0.318 82 R C 0.416 176.718 176.300 0.003 0.000 1.055 82 R CA -0.118 55.927 56.100 -0.092 0.000 0.968 82 R CB 0.330 30.461 30.300 -0.281 0.000 0.974 82 R HN 0.520 nan 8.270 nan 0.000 0.439 83 A N 5.851 128.706 122.820 0.059 0.000 2.303 83 A HA 0.512 4.832 4.320 0.000 0.000 0.317 83 A C -2.128 175.478 177.584 0.036 0.000 1.149 83 A CA -1.825 50.239 52.037 0.045 0.000 0.822 83 A CB 0.511 19.544 19.000 0.055 0.000 1.131 83 A HN 0.480 nan 8.150 nan 0.000 0.493 84 P HA 0.140 nan 4.420 nan 0.000 0.271 84 P C -0.868 176.456 177.300 0.040 0.000 1.216 84 P CA -0.122 62.995 63.100 0.028 0.000 0.776 84 P CB 0.534 32.249 31.700 0.025 0.000 0.881 85 D N 1.799 122.226 120.400 0.045 0.000 2.399 85 D HA 0.132 4.772 4.640 0.000 0.000 0.241 85 D C 0.685 177.034 176.300 0.082 0.000 1.133 85 D CA 0.139 54.173 54.000 0.056 0.000 0.890 85 D CB 0.314 41.149 40.800 0.058 0.000 1.201 85 D HN 0.272 nan 8.370 nan 0.000 0.432 86 I N 2.367 123.000 120.570 0.104 0.000 2.533 86 I HA -0.056 4.114 4.170 0.000 0.000 0.284 86 I C 0.535 176.768 176.117 0.194 0.000 1.109 86 I CA -0.195 61.188 61.300 0.138 0.000 1.412 86 I CB 0.299 38.389 38.000 0.151 0.000 1.396 86 I HN 0.068 nan 8.210 nan 0.000 0.543 87 D N 9.127 129.592 120.400 0.109 0.000 2.458 87 D HA 0.008 4.648 4.640 0.000 0.000 0.243 87 D C -1.345 174.951 176.300 -0.005 0.000 1.146 87 D CA -1.241 52.792 54.000 0.056 0.000 0.877 87 D CB 0.488 41.299 40.800 0.018 0.000 1.176 87 D HN 0.263 nan 8.370 nan 0.000 0.461 88 P HA -0.214 nan 4.420 nan 0.000 0.219 88 P C 1.540 178.711 177.300 -0.215 0.000 1.161 88 P CA 1.127 63.914 63.100 -0.522 0.000 0.909 88 P CB 0.178 31.530 31.700 -0.581 0.000 0.793 89 L N -1.411 119.735 121.223 -0.127 0.000 2.201 89 L HA -0.133 4.208 4.340 0.000 0.000 0.212 89 L C 2.284 179.137 176.870 -0.028 0.000 1.105 89 L CA 1.588 56.388 54.840 -0.068 0.000 0.775 89 L CB -1.049 40.979 42.059 -0.052 0.000 0.913 89 L HN -0.113 nan 8.230 nan 0.000 0.440 90 E N -0.374 119.820 120.200 -0.010 0.000 2.285 90 E HA -0.016 4.334 4.350 0.000 0.000 0.194 90 E C 2.223 178.847 176.600 0.040 0.000 0.997 90 E CA 0.805 57.216 56.400 0.018 0.000 0.845 90 E CB -0.119 29.598 29.700 0.028 0.000 0.782 90 E HN 0.397 nan 8.360 nan 0.000 0.491 91 A N 0.114 122.967 122.820 0.055 0.000 2.119 91 A HA 0.033 4.353 4.320 0.000 0.000 0.217 91 A C 0.757 178.385 177.584 0.073 0.000 1.153 91 A CA 0.145 52.240 52.037 0.097 0.000 0.692 91 A CB -0.356 18.759 19.000 0.191 0.000 0.799 91 A HN 0.149 nan 8.150 nan 0.000 0.458 92 L N 0.417 121.661 121.223 0.035 0.000 2.455 92 L HA 0.170 4.510 4.340 0.000 0.000 0.272 92 L C 0.245 177.126 176.870 0.019 0.000 1.174 92 L CA -0.101 54.753 54.840 0.022 0.000 0.869 92 L CB 0.517 42.574 42.059 -0.003 0.000 1.130 92 L HN 0.331 nan 8.230 nan 0.000 0.474 93 M N 1.893 121.500 119.600 0.012 0.000 2.211 93 M HA 0.036 4.516 4.480 0.000 0.000 0.356 93 M C 1.387 177.664 176.300 -0.037 0.000 1.216 93 M CA 0.133 55.432 55.300 -0.002 0.000 1.134 93 M CB 1.643 34.241 32.600 -0.005 0.000 1.564 93 M HN 0.745 nan 8.290 nan 0.000 0.463 94 T N 1.065 115.605 114.554 -0.023 0.000 2.809 94 T HA -0.022 4.328 4.350 0.000 0.000 0.260 94 T C 0.757 175.428 174.700 -0.049 0.000 1.039 94 T CA 1.266 63.348 62.100 -0.030 0.000 1.141 94 T CB 0.084 68.944 68.868 -0.013 0.000 0.869 94 T HN 0.608 nan 8.240 nan 0.000 0.437 95 N N 2.220 120.892 118.700 -0.047 0.000 2.790 95 N HA 0.362 5.102 4.740 0.000 0.000 0.256 95 N C -3.028 172.436 175.510 -0.077 0.000 1.409 95 N CA -1.973 51.043 53.050 -0.057 0.000 0.799 95 N CB 1.214 39.688 38.487 -0.022 0.000 1.170 95 N HN 0.293 nan 8.380 nan 0.000 0.507 96 P HA 0.108 nan 4.420 nan 0.000 0.265 96 P C -0.748 176.484 177.300 -0.114 0.000 1.222 96 P CA 0.000 62.884 63.100 -0.361 0.000 0.767 96 P CB 0.984 32.036 31.700 -1.080 0.000 0.801 97 V N 4.586 124.643 119.914 0.238 0.000 2.733 97 V HA 0.149 4.269 4.120 0.000 0.000 0.306 97 V C -0.107 176.149 176.094 0.271 0.000 1.084 97 V CA -0.814 61.656 62.300 0.282 0.000 0.905 97 V CB 2.800 34.692 31.823 0.114 0.000 1.010 97 V HN 0.225 nan 8.190 nan 0.000 0.424 98 V N 7.315 127.315 119.914 0.144 0.000 2.385 98 V HA 0.341 4.461 4.120 0.000 0.000 0.269 98 V C -1.859 174.122 176.094 -0.188 0.000 1.043 98 V CA -1.405 60.785 62.300 -0.182 0.000 0.906 98 V CB 1.129 32.663 31.823 -0.481 0.000 0.995 98 V HN 0.728 nan 8.190 nan 0.000 0.467 99 P HA 0.228 nan 4.420 nan 0.000 0.274 99 P C 0.625 177.790 177.300 -0.224 0.000 1.231 99 P CA -0.324 62.696 63.100 -0.134 0.000 0.790 99 P CB 1.267 32.919 31.700 -0.080 0.000 0.951 100 E N 0.615 120.698 120.200 -0.195 0.000 2.219 100 E HA -0.156 4.194 4.350 0.000 0.000 0.198 100 E C 1.875 178.301 176.600 -0.290 0.000 0.998 100 E CA 1.516 57.767 56.400 -0.248 0.000 0.818 100 E CB -0.312 29.291 29.700 -0.160 0.000 0.741 100 E HN 0.443 nan 8.360 nan 0.000 0.477 101 S N 1.009 116.586 115.700 -0.204 0.000 2.387 101 S HA -0.187 4.283 4.470 0.000 0.000 0.230 101 S C 1.536 176.005 174.600 -0.218 0.000 1.035 101 S CA 1.368 59.467 58.200 -0.168 0.000 1.014 101 S CB -0.106 63.047 63.200 -0.078 0.000 0.836 101 S HN 0.215 nan 8.310 nan 0.000 0.466 102 K N 0.326 120.581 120.400 -0.242 0.000 2.399 102 K HA 0.209 4.529 4.320 0.000 0.000 0.204 102 K C -0.175 176.238 176.600 -0.312 0.000 1.023 102 K CA -0.126 56.084 56.287 -0.127 0.000 1.127 102 K CB 0.482 32.960 32.500 -0.037 0.000 0.856 102 K HN 0.149 nan 8.250 nan 0.000 0.514 103 R N 1.041 121.133 120.500 -0.679 0.000 2.242 103 R HA 0.261 4.601 4.340 0.000 0.000 0.334 103 R C -0.937 174.947 176.300 -0.693 0.000 1.071 103 R CA 0.111 55.754 56.100 -0.761 0.000 0.922 103 R CB 0.217 29.999 30.300 -0.862 0.000 1.023 103 R HN -0.097 nan 8.270 nan 0.000 0.458 104 F N 0.750 120.739 119.950 0.066 0.000 2.591 104 F HA 0.195 4.722 4.527 0.000 0.000 0.309 104 F C 0.185 176.033 175.800 0.081 0.000 1.098 104 F CA -1.093 56.931 58.000 0.040 0.000 0.937 104 F CB 1.159 40.169 39.000 0.017 0.000 1.250 104 F HN 0.428 nan 8.300 nan 0.000 0.447 105 C N 5.665 125.050 119.300 0.141 0.000 2.592 105 C HA -0.035 4.425 4.460 0.000 0.000 0.408 105 C C 1.850 176.802 174.990 -0.064 0.000 1.436 105 C CA -0.576 58.408 59.018 -0.056 0.000 1.595 105 C CB -0.716 26.932 27.740 -0.153 0.000 2.487 105 C HN 1.019 nan 8.230 nan 0.000 0.610 106 W N 5.790 127.052 121.300 -0.063 0.000 2.387 106 W HA -0.122 4.538 4.660 0.000 0.000 0.272 106 W C 1.663 178.077 176.519 -0.175 0.000 1.224 106 W CA 1.346 58.577 57.345 -0.190 0.000 1.210 106 W CB -0.898 28.190 29.460 -0.621 0.000 1.125 106 W HN 0.883 nan 8.180 nan 0.000 0.572 107 N N 1.260 119.493 118.700 -0.779 0.000 2.349 107 N HA -0.099 4.641 4.740 0.000 0.000 0.180 107 N C 1.848 177.181 175.510 -0.297 0.000 1.024 107 N CA 1.959 54.609 53.050 -0.667 0.000 0.869 107 N CB -0.244 37.495 38.487 -1.247 0.000 1.022 107 N HN 0.218 nan 8.380 nan 0.000 0.433 108 C N -1.803 117.339 119.300 -0.264 0.000 3.230 108 C HA 0.611 5.071 4.460 0.000 0.000 0.300 108 C C 1.550 176.484 174.990 -0.094 0.000 1.292 108 C CA 0.562 59.496 59.018 -0.141 0.000 1.707 108 C CB -0.049 27.623 27.740 -0.114 0.000 2.181 108 C HN 0.504 nan 8.230 nan 0.000 0.655 109 G N 1.162 109.918 108.800 -0.073 0.000 2.176 109 G HA2 -0.212 3.748 3.960 0.000 0.000 0.253 109 G HA3 -0.212 3.748 3.960 0.000 0.000 0.253 109 G C 0.180 175.124 174.900 0.074 0.000 0.979 109 G CA 0.160 45.244 45.100 -0.027 0.000 0.641 109 G HN 0.732 nan 8.290 nan 0.000 0.530 110 R N 1.052 121.579 120.500 0.044 0.000 2.594 110 R HA 0.369 4.709 4.340 0.000 0.000 0.272 110 R C -2.280 174.128 176.300 0.181 0.000 1.074 110 R CA -1.444 54.690 56.100 0.056 0.000 1.105 110 R CB 0.247 30.468 30.300 -0.131 0.000 1.008 110 R HN 0.082 nan 8.270 nan 0.000 0.472 111 P HA -0.080 nan 4.420 nan 0.000 0.262 111 P C -0.844 176.410 177.300 -0.077 0.000 1.182 111 P CA 0.396 63.426 63.100 -0.117 0.000 0.761 111 P CB 0.622 32.256 31.700 -0.111 0.000 0.795 112 V N 2.968 122.759 119.914 -0.206 0.000 3.074 112 V HA 0.674 4.794 4.120 0.000 0.000 0.314 112 V C 0.828 176.775 176.094 -0.246 0.000 1.117 112 V CA 0.192 62.360 62.300 -0.220 0.000 1.014 112 V CB 1.708 33.294 31.823 -0.396 0.000 1.057 112 V HN 0.787 nan 8.190 nan 0.000 0.438 113 G N 3.224 111.934 108.800 -0.150 0.000 2.341 113 G HA2 -0.200 3.760 3.960 0.000 0.000 0.292 113 G HA3 -0.200 3.760 3.960 0.000 0.000 0.292 113 G C 0.238 175.131 174.900 -0.012 0.000 1.021 113 G CA 0.619 45.746 45.100 0.045 0.000 0.905 113 G HN 0.549 nan 8.290 nan 0.000 0.508 123 A N 1.736 124.647 122.820 0.151 0.000 2.409 123 A HA 0.685 5.005 4.320 0.000 0.000 0.262 123 A C 1.385 179.154 177.584 0.309 0.000 1.113 123 A CA 0.351 52.511 52.037 0.204 0.000 0.790 123 A CB 0.769 19.901 19.000 0.220 0.000 1.046 123 A HN 1.001 nan 8.150 nan 0.000 0.496 124 S N 0.761 116.624 115.700 0.271 0.000 2.436 124 S HA 0.012 4.482 4.470 0.000 0.000 0.228 124 S C 0.600 175.463 174.600 0.439 0.000 1.014 124 S CA 1.309 59.733 58.200 0.372 0.000 0.950 124 S CB -0.148 63.208 63.200 0.261 0.000 0.784 124 S HN 0.903 nan 8.310 nan 0.000 0.504 125 E N -1.027 119.274 120.200 0.168 0.000 2.408 125 E HA 0.719 5.069 4.350 0.000 0.000 0.275 125 E C -0.156 176.146 176.600 -0.496 0.000 0.935 125 E CA -1.060 55.196 56.400 -0.239 0.000 0.775 125 E CB 1.757 31.363 29.700 -0.157 0.000 1.277 125 E HN 0.113 nan 8.360 nan 0.000 0.455 126 G N 0.288 108.447 108.800 -1.068 0.000 2.404 126 G HA2 0.155 4.116 3.960 0.000 0.000 0.253 126 G HA3 0.155 4.116 3.960 0.000 0.000 0.253 126 G C -1.901 172.472 174.900 -0.879 0.000 1.253 126 G CA -0.883 43.820 45.100 -0.662 0.000 0.917 126 G HN 0.394 nan 8.290 nan 0.000 0.480 127 W N -0.450 120.733 121.300 -0.196 0.000 2.844 127 W HA 0.506 5.166 4.660 -0.000 0.000 0.340 127 W C 0.091 176.761 176.519 0.251 0.000 1.093 127 W CA -1.139 56.232 57.345 0.043 0.000 1.212 127 W CB 1.946 31.409 29.460 0.006 0.000 1.422 127 W HN 0.685 nan 8.180 nan 0.000 0.515 128 C N 6.168 125.729 119.300 0.436 0.000 2.651 128 C HA 0.076 4.536 4.460 0.000 0.000 0.410 128 C C -0.155 174.911 174.990 0.127 0.000 1.372 128 C CA -1.200 57.967 59.018 0.249 0.000 1.707 128 C CB -0.105 27.711 27.740 0.127 0.000 2.501 128 C HN 0.368 nan 8.230 nan 0.000 0.598 129 P HA -0.075 nan 4.420 nan 0.000 0.225 129 P C 0.559 177.691 177.300 -0.280 0.000 1.156 129 P CA 1.551 64.525 63.100 -0.210 0.000 0.787 129 P CB -0.001 31.464 31.700 -0.392 0.000 0.802 130 Y N 0.314 120.632 120.300 0.031 0.000 2.314 130 Y HA -0.015 4.535 4.550 0.000 0.000 0.294 130 Y C 2.697 178.591 175.900 -0.011 0.000 1.119 130 Y CA 1.164 59.266 58.100 0.003 0.000 1.179 130 Y CB -1.072 37.382 38.460 -0.010 0.000 1.025 130 Y HN 0.170 nan 8.280 nan 0.000 0.541 131 C N -3.275 116.094 119.300 0.115 0.000 3.580 131 C HA 0.736 5.196 4.460 0.000 0.000 0.337 131 C C 1.899 176.912 174.990 0.037 0.000 1.412 131 C CA 0.004 59.044 59.018 0.038 0.000 1.797 131 C CB 0.405 28.123 27.740 -0.037 0.000 2.470 131 C HN 0.694 nan 8.230 nan 0.000 0.691 132 G N 1.677 110.529 108.800 0.087 0.000 2.162 132 G HA2 -0.208 3.752 3.960 0.000 0.000 0.260 132 G HA3 -0.208 3.752 3.960 0.000 0.000 0.260 132 G C 0.052 175.131 174.900 0.298 0.000 0.976 132 G CA 0.463 45.661 45.100 0.164 0.000 0.655 132 G HN 0.740 nan 8.290 nan 0.000 0.533 133 S N 2.858 118.643 115.700 0.141 0.000 2.505 133 S HA 0.497 4.967 4.470 0.000 0.000 0.276 133 S C -1.504 173.208 174.600 0.187 0.000 1.274 133 S CA -0.619 57.637 58.200 0.093 0.000 1.053 133 S CB 1.628 64.533 63.200 -0.491 0.000 0.919 133 S HN 0.391 nan 8.310 nan 0.000 0.490 134 P HA 0.190 nan 4.420 nan 0.000 0.271 134 P C -1.223 176.076 177.300 -0.002 0.000 1.218 134 P CA -0.204 62.616 63.100 -0.467 0.000 0.780 134 P CB 0.249 31.608 31.700 -0.568 0.000 0.901 135 Y N -1.697 118.444 120.300 -0.265 0.000 2.534 135 Y HA 0.755 5.305 4.550 -0.000 0.000 0.345 135 Y C -1.102 174.622 175.900 -0.294 0.000 1.031 135 Y CA -1.272 56.722 58.100 -0.176 0.000 1.022 135 Y CB 1.227 39.595 38.460 -0.153 0.000 1.292 135 Y HN 0.358 nan 8.280 nan 0.000 0.459 136 S N 2.114 117.694 115.700 -0.200 0.000 2.548 136 S HA 0.623 5.093 4.470 0.000 0.000 0.276 136 S C -1.475 172.991 174.600 -0.223 0.000 1.129 136 S CA -0.590 57.518 58.200 -0.152 0.000 0.931 136 S CB 0.461 63.631 63.200 -0.050 0.000 1.068 136 S HN 0.615 nan 8.310 nan 0.000 0.480 137 F N 3.349 123.494 119.950 0.325 0.000 2.708 137 F HA 0.482 5.009 4.527 0.000 0.000 0.300 137 F C -0.040 176.066 175.800 0.511 0.000 1.118 137 F CA -0.193 58.002 58.000 0.326 0.000 1.307 137 F CB 0.398 39.513 39.000 0.191 0.000 0.986 137 F HN 0.222 nan 8.300 nan 0.000 0.522 138 L N 1.257 122.803 121.223 0.539 0.000 2.346 138 L HA 0.520 4.860 4.340 0.000 0.000 0.274 138 L C -2.358 174.762 176.870 0.417 0.000 1.007 138 L CA -2.269 52.819 54.840 0.414 0.000 0.818 138 L CB 1.734 43.934 42.059 0.235 0.000 1.284 138 L HN -0.204 nan 8.230 nan 0.000 0.424 139 P HA -0.003 nan 4.420 nan 0.000 0.266 139 P C -0.302 177.170 177.300 0.286 0.000 1.195 139 P CA -0.077 63.156 63.100 0.221 0.000 0.768 139 P CB 0.540 32.211 31.700 -0.048 0.000 0.838 140 Q N 1.243 121.274 119.800 0.386 0.000 2.281 140 Q HA 0.238 4.578 4.340 0.000 0.000 0.215 140 Q C 0.144 176.125 176.000 -0.033 0.000 0.867 140 Q CA 0.405 56.328 55.803 0.200 0.000 0.940 140 Q CB 0.449 29.375 28.738 0.314 0.000 1.111 140 Q HN 0.487 nan 8.270 nan 0.000 0.513 141 L N 1.481 122.505 121.223 -0.331 0.000 2.362 141 L HA 0.460 4.800 4.340 0.000 0.000 0.271 141 L C -0.374 176.348 176.870 -0.247 0.000 1.002 141 L CA -0.824 53.741 54.840 -0.458 0.000 0.818 141 L CB 1.688 43.185 42.059 -0.938 0.000 1.298 141 L HN -0.119 nan 8.230 nan 0.000 0.420 142 N N 1.765 120.363 118.700 -0.169 0.000 2.430 142 N HA 0.455 5.195 4.740 0.000 0.000 0.298 142 N C -2.663 172.787 175.510 -0.099 0.000 1.130 142 N CA -1.710 51.283 53.050 -0.095 0.000 0.894 142 N CB 1.485 39.938 38.487 -0.057 0.000 1.209 142 N HN 0.210 nan 8.380 nan 0.000 0.503 143 P HA 0.051 nan 4.420 nan 0.000 0.264 143 P C 0.894 178.159 177.300 -0.057 0.000 1.183 143 P CA 0.880 63.945 63.100 -0.059 0.000 0.763 143 P CB 0.302 31.976 31.700 -0.044 0.000 0.807 144 G N 2.009 110.773 108.800 -0.059 0.000 2.217 144 G HA2 -0.206 3.754 3.960 0.000 0.000 0.246 144 G HA3 -0.206 3.754 3.960 0.000 0.000 0.246 144 G C -0.032 174.832 174.900 -0.060 0.000 0.990 144 G CA -0.294 44.776 45.100 -0.050 0.000 0.627 144 G HN 0.502 nan 8.290 nan 0.000 0.522 145 D N 1.264 121.607 120.400 -0.096 0.000 2.458 145 D HA 0.356 4.996 4.640 0.000 0.000 0.243 145 D C 0.868 177.085 176.300 -0.139 0.000 1.146 145 D CA 0.228 54.149 54.000 -0.131 0.000 0.877 145 D CB 0.575 41.215 40.800 -0.268 0.000 1.176 145 D HN 0.178 nan 8.370 nan 0.000 0.461 146 I N 3.125 123.653 120.570 -0.071 0.000 2.321 146 I HA 0.175 4.345 4.170 0.000 0.000 0.291 146 I C 0.109 176.211 176.117 -0.026 0.000 0.998 146 I CA -0.660 60.615 61.300 -0.042 0.000 1.227 146 I CB 0.974 38.970 38.000 -0.008 0.000 1.368 146 I HN -0.027 nan 8.210 nan 0.000 0.466 147 V N 5.536 125.428 119.914 -0.036 0.000 2.435 147 V HA 0.548 4.668 4.120 0.000 0.000 0.290 147 V C 0.894 177.083 176.094 0.158 0.000 1.030 147 V CA -0.665 61.661 62.300 0.044 0.000 0.881 147 V CB 1.349 33.111 31.823 -0.101 0.000 0.983 147 V HN 0.953 nan 8.190 nan 0.000 0.445 148 A N 3.978 126.906 122.820 0.180 0.000 2.783 148 A HA -0.069 4.251 4.320 0.000 0.000 0.292 148 A C 1.759 179.356 177.584 0.021 0.000 1.495 148 A CA 1.403 53.514 52.037 0.124 0.000 0.787 148 A CB -1.670 17.440 19.000 0.183 0.000 1.017 148 A HN 2.671 nan 8.150 nan 0.000 0.516 149 G N -2.074 106.730 108.800 0.007 0.000 2.212 149 G HA2 -0.366 3.594 3.960 0.000 0.000 0.267 149 G HA3 -0.366 3.594 3.960 0.000 0.000 0.267 149 G C 0.557 175.382 174.900 -0.126 0.000 1.002 149 G CA 1.709 46.784 45.100 -0.043 0.000 0.729 149 G HN 1.657 nan 8.290 nan 0.000 0.517 150 Q N -2.079 117.585 119.800 -0.225 0.000 2.519 150 Q HA 0.261 4.601 4.340 0.000 0.000 0.248 150 Q C -0.252 175.434 176.000 -0.525 0.000 0.804 150 Q CA -0.189 55.325 55.803 -0.482 0.000 0.979 150 Q CB 0.815 29.048 28.738 -0.842 0.000 1.282 150 Q HN 0.467 nan 8.270 nan 0.000 0.558 151 Y N 1.995 122.267 120.300 -0.046 0.000 2.385 151 Y HA 0.347 4.897 4.550 -0.000 0.000 0.341 151 Y C -0.565 175.278 175.900 -0.095 0.000 0.965 151 Y CA -0.761 57.299 58.100 -0.067 0.000 1.180 151 Y CB 1.167 39.582 38.460 -0.075 0.000 1.139 151 Y HN 0.032 nan 8.280 nan 0.000 0.502 152 E N 3.701 123.923 120.200 0.037 0.000 2.052 152 E HA 0.270 4.620 4.350 0.000 0.000 0.283 152 E C -0.863 175.723 176.600 -0.024 0.000 1.071 152 E CA -0.401 55.990 56.400 -0.015 0.000 0.851 152 E CB 0.721 30.406 29.700 -0.025 0.000 1.066 152 E HN 0.464 nan 8.360 nan 0.000 0.396 153 V N 5.922 125.793 119.914 -0.073 0.000 2.585 153 V HA -0.023 4.097 4.120 0.000 0.000 0.296 153 V C 1.178 177.237 176.094 -0.058 0.000 1.035 153 V CA 0.218 62.463 62.300 -0.092 0.000 1.084 153 V CB 1.090 32.799 31.823 -0.189 0.000 0.953 153 V HN 0.653 nan 8.190 nan 0.000 0.483 154 K N 2.536 122.917 120.400 -0.032 0.000 2.365 154 K HA 0.414 4.734 4.320 0.000 0.000 0.195 154 K C 0.721 177.312 176.600 -0.015 0.000 1.079 154 K CA 0.907 57.178 56.287 -0.027 0.000 0.979 154 K CB 0.931 33.413 32.500 -0.031 0.000 0.929 154 K HN 0.973 nan 8.250 nan 0.000 0.523 155 G N 0.059 108.871 108.800 0.020 0.000 2.320 155 G HA2 -0.020 3.940 3.960 0.000 0.000 0.274 155 G HA3 -0.020 3.940 3.960 0.000 0.000 0.274 155 G C -1.303 173.658 174.900 0.101 0.000 1.324 155 G CA -0.814 44.309 45.100 0.039 0.000 0.957 155 G HN 0.039 nan 8.290 nan 0.000 0.481 156 C N 0.360 119.674 119.300 0.023 0.000 2.365 156 C HA 0.682 5.142 4.460 0.000 0.000 0.351 156 C C 1.886 176.913 174.990 0.063 0.000 1.240 156 C CA 0.343 59.366 59.018 0.008 0.000 2.062 156 C CB -0.205 27.409 27.740 -0.211 0.000 2.387 156 C HN 0.818 nan 8.230 nan 0.000 0.537 157 I N -0.467 120.178 120.570 0.126 0.000 4.592 157 I HA 0.614 4.784 4.170 0.000 0.000 0.329 157 I C 0.498 176.724 176.117 0.180 0.000 1.309 157 I CA 0.160 61.548 61.300 0.147 0.000 1.243 157 I CB 0.030 38.128 38.000 0.162 0.000 1.241 157 I HN 0.587 nan 8.210 nan 0.000 0.434 158 A N 0.310 123.268 122.820 0.229 0.000 2.536 158 A HA 0.683 5.003 4.320 0.000 0.000 0.293 158 A C -1.802 175.919 177.584 0.228 0.000 1.119 158 A CA -0.429 51.730 52.037 0.204 0.000 0.654 158 A CB 1.048 20.096 19.000 0.080 0.000 1.291 158 A HN 0.394 nan 8.150 nan 0.000 0.439 159 H N -0.670 118.336 119.070 -0.107 0.000 2.974 159 H HA 0.635 5.191 4.556 0.000 0.000 0.366 159 H C -0.454 174.725 175.328 -0.247 0.000 1.155 159 H CA 0.358 56.165 56.048 -0.403 0.000 1.186 159 H CB 1.954 31.134 29.762 -0.969 0.000 1.799 159 H HN 1.386 nan 8.280 nan 0.000 0.541 160 G N 0.587 108.886 108.800 -0.835 0.000 2.870 160 G HA2 0.335 4.295 3.960 0.000 0.000 0.299 160 G HA3 0.335 4.295 3.960 0.000 0.000 0.299 160 G C 0.683 175.297 174.900 -0.476 0.000 1.324 160 G CA -0.187 44.636 45.100 -0.461 0.000 0.808 160 G HN 0.624 nan 8.290 nan 0.000 0.535 161 G N -0.698 108.003 108.800 -0.165 0.000 2.462 161 G HA2 -0.074 3.886 3.960 0.000 0.000 0.220 161 G HA3 -0.074 3.886 3.960 0.000 0.000 0.220 161 G C 1.180 176.085 174.900 0.008 0.000 1.121 161 G CA 0.596 45.702 45.100 0.010 0.000 0.758 161 G HN 0.339 nan 8.290 nan 0.000 0.559 162 L N 0.720 121.817 121.223 -0.210 0.000 2.848 162 L HA 0.407 4.747 4.340 0.000 0.000 0.240 162 L C 1.343 178.051 176.870 -0.270 0.000 1.232 162 L CA 0.152 54.791 54.840 -0.335 0.000 1.031 162 L CB -0.197 41.624 42.059 -0.397 0.000 1.338 162 L HN 0.426 nan 8.230 nan 0.000 0.509 163 G N -0.998 107.595 108.800 -0.345 0.000 2.615 163 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 163 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 163 G C -0.798 173.833 174.900 -0.447 0.000 1.339 163 G CA -0.659 44.256 45.100 -0.308 0.000 0.884 163 G HN 0.143 nan 8.290 nan 0.000 0.559 164 W N -0.296 120.965 121.300 -0.066 0.000 2.126 164 W HA 0.609 5.269 4.660 0.000 0.000 0.346 164 W C 0.710 176.845 176.519 -0.639 0.000 1.279 164 W CA -0.467 56.721 57.345 -0.262 0.000 1.259 164 W CB 0.451 29.727 29.460 -0.307 0.000 1.133 164 W HN 0.331 nan 8.180 nan 0.000 0.592 165 I N 2.781 123.213 120.570 -0.230 0.000 2.354 165 I HA 0.225 4.395 4.170 0.000 0.000 0.292 165 I C -0.915 175.046 176.117 -0.260 0.000 0.989 165 I CA -1.890 59.270 61.300 -0.233 0.000 1.188 165 I CB 0.185 38.154 38.000 -0.052 0.000 1.342 165 I HN 0.306 nan 8.210 nan 0.000 0.457 166 Y N 5.399 125.764 120.300 0.108 0.000 2.352 166 Y HA 0.481 5.031 4.550 -0.000 0.000 0.339 166 Y C 0.081 175.993 175.900 0.019 0.000 0.992 166 Y CA -1.023 57.104 58.100 0.045 0.000 1.100 166 Y CB 1.714 40.154 38.460 -0.033 0.000 1.192 166 Y HN 0.407 nan 8.280 nan 0.000 0.458 167 L N 3.204 124.517 121.223 0.151 0.000 2.371 167 L HA 0.816 5.156 4.340 0.000 0.000 0.272 167 L C -0.294 176.599 176.870 0.039 0.000 1.124 167 L CA -0.001 54.883 54.840 0.074 0.000 0.816 167 L CB 0.435 42.497 42.059 0.005 0.000 1.129 167 L HN 0.788 nan 8.230 nan 0.000 0.448 168 A N 4.972 127.803 122.820 0.018 0.000 2.593 168 A HA 0.770 5.090 4.320 0.000 0.000 0.290 168 A C -1.696 175.914 177.584 0.043 0.000 1.126 168 A CA -0.709 51.338 52.037 0.018 0.000 0.695 168 A CB 1.165 20.174 19.000 0.015 0.000 1.290 168 A HN 0.643 nan 8.150 nan 0.000 0.414 169 L N 1.154 122.411 121.223 0.056 0.000 2.313 169 L HA 0.388 4.728 4.340 0.000 0.000 0.283 169 L C -0.810 176.123 176.870 0.105 0.000 1.013 169 L CA -0.766 54.106 54.840 0.053 0.000 0.816 169 L CB 1.782 43.841 42.059 0.000 0.000 1.236 169 L HN 0.733 nan 8.230 nan 0.000 0.419 170 D N 3.113 123.586 120.400 0.121 0.000 2.422 170 D HA 0.102 4.742 4.640 0.000 0.000 0.227 170 D C 1.073 177.335 176.300 -0.063 0.000 1.190 170 D CA -0.097 53.950 54.000 0.079 0.000 0.905 170 D CB 0.732 41.627 40.800 0.158 0.000 1.034 170 D HN 0.379 nan 8.370 nan 0.000 0.507 171 R N 2.480 122.906 120.500 -0.124 0.000 2.341 171 R HA -0.027 4.313 4.340 0.000 0.000 0.213 171 R C 1.063 177.292 176.300 -0.118 0.000 1.082 171 R CA 0.660 56.695 56.100 -0.110 0.000 1.017 171 R CB 0.114 30.347 30.300 -0.112 0.000 0.860 171 R HN 0.516 nan 8.270 nan 0.000 0.473 172 N N -0.411 118.197 118.700 -0.154 0.000 2.405 172 N HA 0.006 4.746 4.740 0.000 0.000 0.175 172 N C -0.326 175.122 175.510 -0.102 0.000 1.051 172 N CA 0.180 53.151 53.050 -0.132 0.000 0.899 172 N CB 0.877 39.266 38.487 -0.164 0.000 1.000 172 N HN -0.101 nan 8.380 nan 0.000 0.451 173 V N 2.172 122.025 119.914 -0.101 0.000 2.361 173 V HA 0.238 4.358 4.120 0.000 0.000 0.252 173 V C -0.322 175.726 176.094 -0.076 0.000 0.986 173 V CA -0.538 61.703 62.300 -0.098 0.000 1.033 173 V CB 0.141 31.877 31.823 -0.146 0.000 1.282 173 V HN 0.259 nan 8.190 nan 0.000 0.514 174 N N 1.804 120.468 118.700 -0.060 0.000 2.800 174 N HA -0.205 4.535 4.740 0.000 0.000 0.250 174 N C 1.204 176.691 175.510 -0.038 0.000 1.078 174 N CA 1.223 54.246 53.050 -0.045 0.000 0.804 174 N CB -1.076 37.386 38.487 -0.040 0.000 1.135 174 N HN 1.317 nan 8.380 nan 0.000 0.565 175 G N 0.568 109.344 108.800 -0.040 0.000 2.176 175 G HA2 -0.397 3.563 3.960 0.000 0.000 0.252 175 G HA3 -0.397 3.563 3.960 0.000 0.000 0.252 175 G C 0.261 175.151 174.900 -0.016 0.000 1.024 175 G CA 0.887 45.969 45.100 -0.029 0.000 0.755 175 G HN 0.947 nan 8.290 nan 0.000 0.507 176 R N 0.061 120.553 120.500 -0.013 0.000 2.734 176 R HA 0.452 4.792 4.340 0.000 0.000 0.266 176 R C -2.241 174.081 176.300 0.037 0.000 1.044 176 R CA -0.782 55.322 56.100 0.006 0.000 1.128 176 R CB 0.162 30.458 30.300 -0.007 0.000 1.010 176 R HN 0.224 nan 8.270 nan 0.000 0.461 177 P HA 0.064 nan 4.420 nan 0.000 0.280 177 P C -0.593 176.800 177.300 0.155 0.000 1.244 177 P CA -0.422 62.684 63.100 0.010 0.000 0.784 177 P CB 1.502 33.098 31.700 -0.172 0.000 0.913 178 V N 1.310 121.312 119.914 0.148 0.000 3.126 178 V HA 0.722 4.842 4.120 0.000 0.000 0.314 178 V C -0.762 175.402 176.094 0.118 0.000 1.138 178 V CA -1.078 61.340 62.300 0.197 0.000 1.034 178 V CB 2.146 34.083 31.823 0.190 0.000 1.075 178 V HN 0.229 nan 8.190 nan 0.000 0.442 179 V N 2.317 122.270 119.914 0.066 0.000 2.540 179 V HA 0.608 4.728 4.120 0.000 0.000 0.302 179 V C -0.739 175.334 176.094 -0.035 0.000 1.035 179 V CA -0.369 61.959 62.300 0.047 0.000 0.873 179 V CB 1.442 33.304 31.823 0.065 0.000 0.992 179 V HN 0.775 nan 8.190 nan 0.000 0.428 180 L N 4.794 126.031 121.223 0.022 0.000 2.329 180 L HA 0.678 5.018 4.340 0.000 0.000 0.279 180 L C -0.212 176.795 176.870 0.229 0.000 1.014 180 L CA -0.004 54.867 54.840 0.051 0.000 0.814 180 L CB 1.671 43.693 42.059 -0.063 0.000 1.257 180 L HN 0.567 nan 8.230 nan 0.000 0.424 181 K N 0.772 121.316 120.400 0.239 0.000 2.498 181 K HA 0.682 5.002 4.320 0.000 0.000 0.254 181 K C -0.294 176.424 176.600 0.196 0.000 0.933 181 K CA -0.753 55.660 56.287 0.210 0.000 0.806 181 K CB 1.877 34.387 32.500 0.017 0.000 1.301 181 K HN 0.711 nan 8.250 nan 0.000 0.432 182 G N 2.287 111.127 108.800 0.068 0.000 2.544 182 G HA2 0.183 4.143 3.960 0.000 0.000 0.242 182 G HA3 0.183 4.143 3.960 0.000 0.000 0.242 182 G C 0.554 175.317 174.900 -0.228 0.000 1.247 182 G CA -0.363 44.579 45.100 -0.264 0.000 0.840 182 G HN 0.598 nan 8.290 nan 0.000 0.578 183 L N 0.580 121.651 121.223 -0.254 0.000 2.463 183 L HA 0.289 4.629 4.340 0.000 0.000 0.219 183 L C 0.431 177.151 176.870 -0.250 0.000 1.088 183 L CA 0.272 55.007 54.840 -0.175 0.000 0.849 183 L CB 0.231 42.241 42.059 -0.083 0.000 1.012 183 L HN 0.266 nan 8.230 nan 0.000 0.468 184 V N -1.977 117.740 119.914 -0.329 0.000 2.969 184 V HA 0.143 4.263 4.120 0.000 0.000 0.304 184 V C 0.132 175.953 176.094 -0.457 0.000 1.192 184 V CA -0.602 61.484 62.300 -0.357 0.000 0.962 184 V CB 2.112 33.810 31.823 -0.208 0.000 1.045 184 V HN 0.094 nan 8.190 nan 0.000 0.428 185 H N 1.837 120.598 119.070 -0.516 0.000 2.462 185 H HA 0.178 4.734 4.556 0.000 0.000 0.292 185 H C 0.801 175.869 175.328 -0.434 0.000 1.049 185 H CA 1.105 56.713 56.048 -0.733 0.000 1.334 185 H CB 0.386 29.112 29.762 -1.726 0.000 1.404 185 H HN 0.695 nan 8.280 nan 0.000 0.544 186 S N -1.668 113.931 115.700 -0.169 0.000 2.633 186 S HA 0.572 5.042 4.470 0.000 0.000 0.271 186 S C -0.610 173.971 174.600 -0.032 0.000 1.112 186 S CA -0.502 57.662 58.200 -0.059 0.000 0.828 186 S CB 1.606 64.834 63.200 0.046 0.000 1.086 186 S HN 0.523 nan 8.310 nan 0.000 0.461 187 G N 1.177 109.973 108.800 -0.006 0.000 2.322 187 G HA2 0.432 4.392 3.960 0.000 0.000 0.289 187 G HA3 0.432 4.392 3.960 0.000 0.000 0.289 187 G C -1.179 173.725 174.900 0.006 0.000 1.687 187 G CA -0.125 44.978 45.100 0.006 0.000 0.944 187 G HN 1.184 nan 8.290 nan 0.000 0.718 188 D N 0.793 121.203 120.400 0.018 0.000 2.349 188 D HA 0.447 5.087 4.640 0.000 0.000 0.239 188 D C 1.851 178.157 176.300 0.010 0.000 1.315 188 D CA 0.445 54.455 54.000 0.017 0.000 0.937 188 D CB 0.245 41.059 40.800 0.022 0.000 1.133 188 D HN 1.040 nan 8.370 nan 0.000 0.489 189 A N -0.578 122.250 122.820 0.013 0.000 1.948 189 A HA -0.276 4.044 4.320 0.000 0.000 0.220 189 A C 2.080 179.669 177.584 0.009 0.000 1.177 189 A CA 2.070 54.115 52.037 0.012 0.000 0.636 189 A CB -0.955 18.054 19.000 0.016 0.000 0.815 189 A HN 0.761 nan 8.150 nan 0.000 0.449 190 E N -0.458 119.747 120.200 0.008 0.000 2.072 190 E HA -0.077 4.273 4.350 0.000 0.000 0.190 190 E C 2.232 178.832 176.600 0.001 0.000 0.982 190 E CA 0.836 57.240 56.400 0.006 0.000 0.803 190 E CB -0.201 29.503 29.700 0.007 0.000 0.755 190 E HN 0.555 nan 8.360 nan 0.000 0.453 191 A N 1.031 123.851 122.820 0.000 0.000 1.933 191 A HA -0.197 4.123 4.320 0.000 0.000 0.218 191 A C 2.096 179.668 177.584 -0.019 0.000 1.175 191 A CA 1.165 53.198 52.037 -0.006 0.000 0.628 191 A CB -0.334 18.665 19.000 -0.002 0.000 0.814 191 A HN 0.231 nan 8.150 nan 0.000 0.444 192 Q N -0.502 119.286 119.800 -0.020 0.000 2.079 192 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 192 Q C 2.462 178.452 176.000 -0.016 0.000 0.974 192 Q CA 1.525 57.311 55.803 -0.029 0.000 0.840 192 Q CB -0.692 28.031 28.738 -0.024 0.000 0.898 192 Q HN 0.647 nan 8.270 nan 0.000 0.430 193 A N 0.918 123.735 122.820 -0.004 0.000 1.933 193 A HA -0.209 4.111 4.320 0.000 0.000 0.218 193 A C 2.168 179.740 177.584 -0.020 0.000 1.175 193 A CA 1.796 53.832 52.037 -0.002 0.000 0.628 193 A CB -0.486 18.518 19.000 0.006 0.000 0.814 193 A HN 0.335 nan 8.150 nan 0.000 0.444 194 M N 0.103 119.691 119.600 -0.020 0.000 2.086 194 M HA -0.042 4.438 4.480 0.000 0.000 0.261 194 M C 2.170 178.447 176.300 -0.040 0.000 1.067 194 M CA 1.897 57.182 55.300 -0.024 0.000 1.116 194 M CB -0.442 32.150 32.600 -0.012 0.000 1.348 194 M HN 0.362 nan 8.290 nan 0.000 0.407 195 A N 0.007 122.802 122.820 -0.041 0.000 1.933 195 A HA -0.187 4.133 4.320 0.000 0.000 0.218 195 A C 2.122 179.650 177.584 -0.094 0.000 1.175 195 A CA 2.119 54.125 52.037 -0.052 0.000 0.628 195 A CB -0.750 18.216 19.000 -0.055 0.000 0.814 195 A HN 0.664 nan 8.150 nan 0.000 0.444 196 M N -0.648 118.891 119.600 -0.101 0.000 2.077 196 M HA -0.074 4.406 4.480 0.000 0.000 0.261 196 M C 2.587 178.655 176.300 -0.388 0.000 1.070 196 M CA 1.464 56.626 55.300 -0.229 0.000 1.125 196 M CB -0.526 32.044 32.600 -0.051 0.000 1.339 196 M HN 0.410 nan 8.290 nan 0.000 0.409 197 A N 0.481 123.187 122.820 -0.189 0.000 1.940 197 A HA -0.175 4.145 4.320 0.000 0.000 0.219 197 A C 1.944 179.459 177.584 -0.116 0.000 1.176 197 A CA 1.737 53.688 52.037 -0.142 0.000 0.631 197 A CB -0.722 18.241 19.000 -0.062 0.000 0.814 197 A HN 0.568 nan 8.150 nan 0.000 0.446 198 E N -0.910 119.240 120.200 -0.083 0.000 2.208 198 E HA -0.082 4.268 4.350 0.000 0.000 0.193 198 E C 1.821 178.469 176.600 0.080 0.000 0.988 198 E CA 0.579 56.989 56.400 0.017 0.000 0.828 198 E CB -0.049 29.674 29.700 0.039 0.000 0.763 198 E HN 0.504 nan 8.360 nan 0.000 0.478 199 R N 0.274 120.664 120.500 -0.184 0.000 2.317 199 R HA 0.015 4.355 4.340 0.000 0.000 0.208 199 R C 1.825 177.739 176.300 -0.643 0.000 0.914 199 R CA -0.028 55.860 56.100 -0.353 0.000 1.060 199 R CB 0.221 30.353 30.300 -0.279 0.000 1.015 199 R HN -0.020 nan 8.270 nan 0.000 0.498 200 Q N 0.526 120.018 119.800 -0.512 0.000 2.152 200 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 200 Q C 1.459 177.426 176.000 -0.054 0.000 0.985 200 Q CA 1.823 57.414 55.803 -0.354 0.000 0.863 200 Q CB -0.248 28.396 28.738 -0.158 0.000 0.904 200 Q HN 0.499 nan 8.270 nan 0.000 0.422 201 F N -1.644 118.296 119.950 -0.016 0.000 2.333 201 F HA -0.049 4.478 4.527 0.000 0.000 0.300 201 F C 1.327 177.183 175.800 0.094 0.000 1.083 201 F CA 0.614 58.639 58.000 0.041 0.000 1.395 201 F CB -0.655 38.355 39.000 0.016 0.000 1.056 201 F HN 0.007 nan 8.300 nan 0.000 0.529 202 L N 0.735 121.530 121.223 -0.713 0.000 2.261 202 L HA -0.169 4.171 4.340 0.000 0.000 0.216 202 L C 2.843 179.680 176.870 -0.055 0.000 1.114 202 L CA 0.940 55.516 54.840 -0.439 0.000 0.777 202 L CB -0.953 40.899 42.059 -0.344 0.000 0.910 202 L HN 0.425 nan 8.230 nan 0.000 0.440 203 A N -0.445 122.409 122.820 0.057 0.000 2.015 203 A HA -0.168 4.152 4.320 0.000 0.000 0.219 203 A C 2.001 179.656 177.584 0.119 0.000 1.163 203 A CA 1.303 53.406 52.037 0.110 0.000 0.646 203 A CB -0.187 18.917 19.000 0.174 0.000 0.806 203 A HN 0.295 nan 8.150 nan 0.000 0.448 204 E N -0.847 119.436 120.200 0.139 0.000 2.479 204 E HA 0.142 4.492 4.350 0.000 0.000 0.193 204 E C -0.246 176.472 176.600 0.197 0.000 1.049 204 E CA -0.031 56.467 56.400 0.163 0.000 0.870 204 E CB 0.329 30.133 29.700 0.173 0.000 0.944 204 E HN 0.222 nan 8.360 nan 0.000 0.492 205 V N 1.826 121.854 119.914 0.190 0.000 2.356 205 V HA 0.148 4.268 4.120 0.000 0.000 0.258 205 V C -0.316 175.931 176.094 0.254 0.000 1.065 205 V CA -0.397 62.055 62.300 0.254 0.000 0.935 205 V CB 0.773 32.717 31.823 0.202 0.000 1.061 205 V HN -0.055 nan 8.190 nan 0.000 0.484 206 V N 5.896 125.994 119.914 0.307 0.000 2.531 206 V HA 0.680 4.800 4.120 0.000 0.000 0.301 206 V C -0.934 175.164 176.094 0.007 0.000 1.034 206 V CA -0.157 62.230 62.300 0.145 0.000 0.865 206 V CB 1.659 33.535 31.823 0.089 0.000 0.995 206 V HN 0.931 nan 8.190 nan 0.000 0.424 207 H N 5.846 124.839 119.070 -0.128 0.000 3.038 207 H HA 0.441 4.997 4.556 -0.000 0.000 0.362 207 H C -2.623 172.627 175.328 -0.130 0.000 1.167 207 H CA -1.068 54.823 56.048 -0.261 0.000 1.197 207 H CB 3.058 32.631 29.762 -0.315 0.000 1.840 207 H HN 0.413 nan 8.280 nan 0.000 0.540 208 P HA -0.090 nan 4.420 nan 0.000 0.218 208 P C 0.610 177.864 177.300 -0.076 0.000 1.146 208 P CA 1.246 64.184 63.100 -0.270 0.000 0.813 208 P CB 0.332 31.823 31.700 -0.349 0.000 0.778 209 S N -1.382 114.383 115.700 0.109 0.000 2.582 209 S HA 0.245 4.715 4.470 0.000 0.000 0.234 209 S C 0.625 175.278 174.600 0.088 0.000 0.961 209 S CA -0.054 58.220 58.200 0.123 0.000 0.953 209 S CB -0.161 63.136 63.200 0.161 0.000 0.800 209 S HN 0.078 nan 8.310 nan 0.000 0.471 210 I N 0.966 121.595 120.570 0.098 0.000 2.498 210 I HA 0.300 4.470 4.170 0.000 0.000 0.290 210 I C -0.113 176.014 176.117 0.016 0.000 1.032 210 I CA -0.969 60.369 61.300 0.063 0.000 1.073 210 I CB 2.061 40.133 38.000 0.120 0.000 1.251 210 I HN -0.112 nan 8.210 nan 0.000 0.426 211 V N 6.950 126.854 119.914 -0.018 0.000 2.644 211 V HA -0.069 4.051 4.120 0.000 0.000 0.305 211 V C 0.256 176.279 176.094 -0.117 0.000 1.053 211 V CA 0.438 62.689 62.300 -0.082 0.000 1.186 211 V CB 0.669 32.427 31.823 -0.108 0.000 0.895 211 V HN 0.724 nan 8.190 nan 0.000 0.490 212 Q N 5.936 125.624 119.800 -0.186 0.000 2.314 212 Q HA 0.377 4.717 4.340 0.000 0.000 0.258 212 Q C -0.619 175.069 176.000 -0.520 0.000 0.954 212 Q CA -0.395 55.262 55.803 -0.244 0.000 0.890 212 Q CB 1.258 29.916 28.738 -0.133 0.000 1.210 212 Q HN 0.563 nan 8.270 nan 0.000 0.410 213 I N 2.840 123.208 120.570 -0.337 0.000 2.336 213 I HA 0.099 4.269 4.170 0.000 0.000 0.292 213 I C 0.073 176.076 176.117 -0.191 0.000 0.991 213 I CA -0.148 60.930 61.300 -0.370 0.000 1.227 213 I CB 0.524 38.395 38.000 -0.215 0.000 1.366 213 I HN 0.671 nan 8.210 nan 0.000 0.466 214 F N 3.105 122.983 119.950 -0.121 0.000 2.559 214 F HA 0.253 4.780 4.527 -0.000 0.000 0.286 214 F C 1.006 176.778 175.800 -0.048 0.000 1.108 214 F CA -0.003 57.966 58.000 -0.051 0.000 1.436 214 F CB -0.035 38.956 39.000 -0.014 0.000 1.130 214 F HN 0.450 nan 8.300 nan 0.000 0.584 215 N N -1.643 117.037 118.700 -0.033 0.000 3.185 215 N HA 0.292 5.032 4.740 0.000 0.000 0.238 215 N C -2.084 173.201 175.510 -0.375 0.000 1.451 215 N CA -0.615 52.427 53.050 -0.014 0.000 0.888 215 N CB 1.001 39.592 38.487 0.174 0.000 1.413 215 N HN -0.214 nan 8.380 nan 0.000 0.511 216 F N 0.190 120.191 119.950 0.085 0.000 2.540 216 F HA 0.736 5.263 4.527 -0.000 0.000 0.317 216 F C -0.136 175.728 175.800 0.108 0.000 1.104 216 F CA -0.661 57.380 58.000 0.069 0.000 0.913 216 F CB 2.004 41.028 39.000 0.040 0.000 1.170 216 F HN 0.042 nan 8.300 nan 0.000 0.450 217 V N 2.122 122.202 119.914 0.275 0.000 2.932 217 V HA 0.368 4.488 4.120 0.000 0.000 0.307 217 V C -1.036 175.226 176.094 0.281 0.000 1.147 217 V CA -0.829 61.620 62.300 0.250 0.000 0.951 217 V CB 2.612 34.559 31.823 0.208 0.000 1.031 217 V HN 0.738 nan 8.190 nan 0.000 0.426 218 E N 2.209 122.558 120.200 0.247 0.000 2.179 218 E HA 0.620 4.970 4.350 0.000 0.000 0.275 218 E C -1.525 175.254 176.600 0.298 0.000 0.945 218 E CA -0.614 55.936 56.400 0.250 0.000 0.792 218 E CB 2.178 31.968 29.700 0.149 0.000 1.125 218 E HN 0.686 nan 8.360 nan 0.000 0.397 219 H N 0.010 119.216 119.070 0.226 0.000 2.895 219 H HA 0.334 4.890 4.556 -0.000 0.000 0.373 219 H C -0.889 174.524 175.328 0.142 0.000 1.174 219 H CA -0.403 55.731 56.048 0.143 0.000 1.144 219 H CB 1.660 31.458 29.762 0.059 0.000 1.793 219 H HN 0.353 nan 8.280 nan 0.000 0.551 220 T N 1.690 116.063 114.554 -0.302 0.000 2.868 220 T HA 0.049 4.399 4.350 0.000 0.000 0.292 220 T C 0.684 175.412 174.700 0.048 0.000 1.028 220 T CA 0.061 62.096 62.100 -0.109 0.000 1.059 220 T CB 0.470 69.233 68.868 -0.176 0.000 0.991 220 T HN 0.750 nan 8.240 nan 0.000 0.531 221 D N 0.209 120.668 120.400 0.099 0.000 2.422 221 D HA 0.091 4.731 4.640 0.000 0.000 0.218 221 D C 1.329 177.704 176.300 0.126 0.000 1.047 221 D CA 0.041 54.134 54.000 0.156 0.000 0.885 221 D CB 0.432 41.338 40.800 0.176 0.000 1.035 221 D HN 0.615 nan 8.370 nan 0.000 0.502 222 R N -1.782 118.762 120.500 0.072 0.000 1.507 222 R HA -0.102 4.238 4.340 0.000 0.000 0.044 222 R C 0.196 176.382 176.300 -0.190 0.000 0.803 222 R CA 0.356 56.400 56.100 -0.092 0.000 3.420 222 R CB -0.960 29.215 30.300 -0.208 0.000 0.729 222 R HN 0.170 nan 8.270 nan 0.000 0.578 223 H N -0.359 118.727 119.070 0.027 0.000 2.551 223 H HA 0.408 4.964 4.556 0.000 0.000 0.271 223 H C 1.026 176.365 175.328 0.020 0.000 0.984 223 H CA 1.098 57.164 56.048 0.030 0.000 1.164 223 H CB 1.455 31.245 29.762 0.047 0.000 1.437 223 H HN 0.543 nan 8.280 nan 0.000 0.550 224 G N 0.839 109.699 108.800 0.101 0.000 2.137 224 G HA2 -0.233 3.727 3.960 0.000 0.000 0.237 224 G HA3 -0.233 3.727 3.960 0.000 0.000 0.237 224 G C -0.881 174.052 174.900 0.056 0.000 1.002 224 G CA -0.022 45.108 45.100 0.050 0.000 0.702 224 G HN 0.346 nan 8.290 nan 0.000 0.515 225 D N 0.916 121.366 120.400 0.083 0.000 2.233 225 D HA 0.491 5.131 4.640 0.000 0.000 0.240 225 D C -2.392 173.936 176.300 0.047 0.000 1.074 225 D CA -1.435 52.601 54.000 0.060 0.000 0.838 225 D CB 1.698 42.534 40.800 0.060 0.000 1.124 225 D HN 0.068 nan 8.370 nan 0.000 0.475 226 P HA 0.130 nan 4.420 nan 0.000 0.271 226 P C -0.600 176.723 177.300 0.038 0.000 1.216 226 P CA -0.320 62.802 63.100 0.037 0.000 0.776 226 P CB 0.842 32.561 31.700 0.030 0.000 0.881 227 V N 2.857 122.811 119.914 0.067 0.000 2.577 227 V HA 0.592 4.712 4.120 0.000 0.000 0.303 227 V C 0.550 176.621 176.094 -0.039 0.000 1.042 227 V CA -0.603 61.690 62.300 -0.012 0.000 0.872 227 V CB 2.030 33.850 31.823 -0.005 0.000 0.998 227 V HN 0.703 nan 8.190 nan 0.000 0.423 228 G N 2.917 111.629 108.800 -0.147 0.000 2.395 228 G HA2 0.595 4.555 3.960 0.000 0.000 0.283 228 G HA3 0.595 4.555 3.960 0.000 0.000 0.283 228 G C -1.514 173.203 174.900 -0.305 0.000 1.178 228 G CA -0.091 44.962 45.100 -0.078 0.000 0.837 228 G HN 0.498 nan 8.290 nan 0.000 0.518 229 Y N 0.113 120.457 120.300 0.074 0.000 2.512 229 Y HA 0.462 5.012 4.550 -0.000 0.000 0.348 229 Y C 0.157 176.054 175.900 -0.006 0.000 0.990 229 Y CA -0.882 57.233 58.100 0.026 0.000 1.033 229 Y CB 2.439 40.893 38.460 -0.010 0.000 1.259 229 Y HN 0.531 nan 8.280 nan 0.000 0.461 230 I N 3.295 123.892 120.570 0.045 0.000 2.385 230 I HA 0.555 4.725 4.170 0.000 0.000 0.294 230 I C -1.010 174.945 176.117 -0.271 0.000 0.988 230 I CA -0.849 60.279 61.300 -0.286 0.000 1.265 230 I CB 0.899 38.724 38.000 -0.293 0.000 1.388 230 I HN 0.488 nan 8.210 nan 0.000 0.480 231 V N 8.118 127.778 119.914 -0.425 0.000 2.417 231 V HA 0.554 4.674 4.120 0.000 0.000 0.291 231 V C -0.607 175.272 176.094 -0.358 0.000 1.024 231 V CA -0.331 61.760 62.300 -0.348 0.000 0.861 231 V CB 1.529 33.059 31.823 -0.489 0.000 0.985 231 V HN 0.887 nan 8.190 nan 0.000 0.436 232 M N 3.872 123.276 119.600 -0.327 0.000 2.761 232 M HA 0.528 5.008 4.480 0.000 0.000 0.305 232 M C -0.141 175.858 176.300 -0.502 0.000 1.235 232 M CA -0.700 54.306 55.300 -0.491 0.000 0.850 232 M CB 2.184 34.607 32.600 -0.295 0.000 1.744 232 M HN 0.790 nan 8.290 nan 0.000 0.480 233 E N 0.923 120.707 120.200 -0.693 0.000 2.414 233 E HA -0.064 4.286 4.350 0.000 0.000 0.263 233 E C -1.574 175.018 176.600 -0.015 0.000 1.000 233 E CA 0.137 56.394 56.400 -0.240 0.000 0.914 233 E CB 0.617 30.184 29.700 -0.222 0.000 0.948 233 E HN 0.441 nan 8.360 nan 0.000 0.444 234 Y N 4.461 124.782 120.300 0.035 0.000 2.393 234 Y HA 0.282 4.832 4.550 0.000 0.000 0.338 234 Y C -1.058 174.852 175.900 0.016 0.000 1.029 234 Y CA -0.437 57.676 58.100 0.023 0.000 1.239 234 Y CB 0.630 39.120 38.460 0.050 0.000 1.170 234 Y HN 0.144 nan 8.280 nan 0.000 0.515 235 V N 6.322 125.792 119.914 -0.740 0.000 2.407 235 V HA 0.373 4.493 4.120 0.000 0.000 0.291 235 V C 0.587 176.201 176.094 -0.799 0.000 1.018 235 V CA -0.330 61.620 62.300 -0.583 0.000 0.842 235 V CB 1.473 33.123 31.823 -0.287 0.000 0.996 235 V HN 1.018 nan 8.190 nan 0.000 0.426 236 G N 3.072 111.507 108.800 -0.607 0.000 3.782 236 G HA2 0.480 4.440 3.960 0.000 0.000 0.288 236 G HA3 0.480 4.440 3.960 0.000 0.000 0.288 236 G C 0.559 175.386 174.900 -0.121 0.000 1.300 236 G CA 0.367 45.273 45.100 -0.324 0.000 1.261 236 G HN 0.872 nan 8.290 nan 0.000 0.591 237 G N -0.222 108.490 108.800 -0.146 0.000 2.574 237 G HA2 0.530 4.490 3.960 0.000 0.000 0.248 237 G HA3 0.530 4.490 3.960 0.000 0.000 0.248 237 G C -0.393 174.464 174.900 -0.071 0.000 1.422 237 G CA -0.662 44.386 45.100 -0.086 0.000 1.051 237 G HN 0.414 nan 8.290 nan 0.000 0.560 238 Q N -0.293 119.462 119.800 -0.076 0.000 2.330 238 Q HA 0.478 4.818 4.340 0.000 0.000 0.269 238 Q C -0.125 175.809 176.000 -0.110 0.000 1.022 238 Q CA -0.687 55.074 55.803 -0.069 0.000 0.796 238 Q CB 2.046 30.753 28.738 -0.051 0.000 1.271 238 Q HN 0.631 nan 8.270 nan 0.000 0.450 239 S N 2.006 117.654 115.700 -0.088 0.000 2.624 239 S HA 0.282 4.752 4.470 0.000 0.000 0.263 239 S C 0.621 175.156 174.600 -0.108 0.000 1.287 239 S CA -0.620 57.520 58.200 -0.101 0.000 0.990 239 S CB 0.437 63.599 63.200 -0.063 0.000 0.950 239 S HN 0.714 nan 8.310 nan 0.000 0.561 240 L N 0.065 121.218 121.223 -0.115 0.000 2.591 240 L HA 0.280 4.620 4.340 0.000 0.000 0.228 240 L C 1.342 178.208 176.870 -0.006 0.000 1.133 240 L CA 0.124 54.909 54.840 -0.092 0.000 0.880 240 L CB -0.543 41.447 42.059 -0.116 0.000 1.033 240 L HN 0.688 nan 8.230 nan 0.000 0.450 247 K N 1.052 121.491 120.400 0.065 0.000 2.208 247 K HA 0.658 4.978 4.320 0.000 0.000 0.247 247 K C -0.606 176.029 176.600 0.058 0.000 0.953 247 K CA -0.543 55.782 56.287 0.063 0.000 0.837 247 K CB 1.863 34.397 32.500 0.057 0.000 1.131 247 K HN 0.375 nan 8.250 nan 0.000 0.431 248 L N 2.940 124.198 121.223 0.058 0.000 2.325 248 L HA 0.359 4.699 4.340 0.000 0.000 0.279 248 L C -2.031 174.841 176.870 0.004 0.000 1.054 248 L CA -2.084 52.783 54.840 0.045 0.000 0.804 248 L CB 1.421 43.523 42.059 0.072 0.000 1.200 248 L HN 0.230 nan 8.230 nan 0.000 0.436 249 P HA -0.034 nan 4.420 nan 0.000 0.264 249 P C 0.994 178.198 177.300 -0.159 0.000 1.183 249 P CA -0.156 62.907 63.100 -0.062 0.000 0.763 249 P CB 0.674 32.336 31.700 -0.064 0.000 0.807 250 V N 3.202 122.965 119.914 -0.252 0.000 2.317 250 V HA -0.348 3.772 4.120 0.000 0.000 0.251 250 V C 2.249 178.037 176.094 -0.510 0.000 1.065 250 V CA 2.749 64.738 62.300 -0.517 0.000 1.049 250 V CB -1.464 29.778 31.823 -0.969 0.000 0.651 250 V HN 0.714 nan 8.190 nan 0.000 0.450 251 A N -1.106 121.462 122.820 -0.420 0.000 1.929 251 A HA -0.191 4.129 4.320 0.000 0.000 0.216 251 A C 2.203 179.592 177.584 -0.326 0.000 1.176 251 A CA 1.569 53.396 52.037 -0.350 0.000 0.628 251 A CB -0.411 18.431 19.000 -0.263 0.000 0.816 251 A HN 0.598 nan 8.150 nan 0.000 0.444 252 E N -0.193 119.812 120.200 -0.325 0.000 2.038 252 E HA -0.169 4.181 4.350 0.000 0.000 0.195 252 E C 2.382 178.650 176.600 -0.554 0.000 1.000 252 E CA 1.072 57.179 56.400 -0.489 0.000 0.803 252 E CB -0.272 29.216 29.700 -0.354 0.000 0.750 252 E HN 0.596 nan 8.360 nan 0.000 0.448 253 A N 1.290 123.961 122.820 -0.248 0.000 1.851 253 A HA -0.212 4.108 4.320 0.000 0.000 0.216 253 A C 2.192 179.732 177.584 -0.072 0.000 1.195 253 A CA 1.381 53.388 52.037 -0.050 0.000 0.622 253 A CB -0.809 18.186 19.000 -0.008 0.000 0.831 253 A HN 0.192 nan 8.150 nan 0.000 0.444 254 I N -0.202 120.275 120.570 -0.155 0.000 2.145 254 I HA -0.370 3.800 4.170 0.000 0.000 0.244 254 I C 2.972 179.016 176.117 -0.122 0.000 1.075 254 I CA 1.359 62.586 61.300 -0.123 0.000 1.332 254 I CB -0.399 37.485 38.000 -0.194 0.000 1.033 254 I HN 0.401 nan 8.210 nan 0.000 0.410 255 A N 0.030 122.724 122.820 -0.209 0.000 1.898 255 A HA -0.217 4.103 4.320 0.000 0.000 0.216 255 A C 2.142 179.661 177.584 -0.108 0.000 1.181 255 A CA 1.428 53.347 52.037 -0.198 0.000 0.620 255 A CB -0.866 17.960 19.000 -0.289 0.000 0.819 255 A HN 0.361 nan 8.150 nan 0.000 0.442 256 Y N -0.321 119.926 120.300 -0.088 0.000 2.145 256 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 256 Y C 2.201 178.051 175.900 -0.084 0.000 1.145 256 Y CA 1.192 59.238 58.100 -0.090 0.000 1.148 256 Y CB -1.014 37.397 38.460 -0.082 0.000 0.981 256 Y HN 0.197 nan 8.280 nan 0.000 0.507 257 L N -0.883 120.395 121.223 0.093 0.000 2.131 257 L HA -0.211 4.129 4.340 0.000 0.000 0.210 257 L C 2.354 179.211 176.870 -0.022 0.000 1.092 257 L CA 0.995 55.845 54.840 0.018 0.000 0.759 257 L CB -0.636 41.432 42.059 0.015 0.000 0.903 257 L HN 0.205 nan 8.230 nan 0.000 0.435 258 L N -0.686 120.519 121.223 -0.029 0.000 2.187 258 L HA -0.199 4.141 4.340 0.000 0.000 0.213 258 L C 2.406 179.256 176.870 -0.034 0.000 1.100 258 L CA 0.916 55.729 54.840 -0.044 0.000 0.765 258 L CB -0.368 41.659 42.059 -0.054 0.000 0.904 258 L HN 0.331 nan 8.230 nan 0.000 0.437 259 E N -0.020 120.170 120.200 -0.016 0.000 2.285 259 E HA -0.114 4.236 4.350 0.000 0.000 0.194 259 E C 1.853 178.436 176.600 -0.028 0.000 0.997 259 E CA 0.905 57.298 56.400 -0.011 0.000 0.845 259 E CB 0.129 29.833 29.700 0.007 0.000 0.782 259 E HN 0.630 nan 8.360 nan 0.000 0.491 260 I N -2.905 117.633 120.570 -0.054 0.000 3.968 260 I HA 0.071 4.241 4.170 0.000 0.000 0.328 260 I C 1.840 177.876 176.117 -0.134 0.000 1.290 260 I CA 0.340 61.579 61.300 -0.102 0.000 1.163 260 I CB -0.290 37.624 38.000 -0.143 0.000 1.024 260 I HN -0.138 nan 8.210 nan 0.000 0.413 261 L N 1.088 122.250 121.223 -0.101 0.000 2.083 261 L HA -0.021 4.319 4.340 0.000 0.000 0.209 261 L C -0.139 176.660 176.870 -0.119 0.000 1.083 261 L CA 1.443 56.218 54.840 -0.108 0.000 0.752 261 L CB -1.689 40.322 42.059 -0.081 0.000 0.899 261 L HN 0.241 nan 8.230 nan 0.000 0.433 262 P HA -0.160 nan 4.420 nan 0.000 0.221 262 P C 1.289 178.449 177.300 -0.233 0.000 1.145 262 P CA 1.483 64.534 63.100 -0.082 0.000 0.795 262 P CB 0.031 31.737 31.700 0.011 0.000 0.775 263 A N -0.633 121.999 122.820 -0.313 0.000 1.897 263 A HA -0.100 4.220 4.320 0.000 0.000 0.215 263 A C 2.125 179.506 177.584 -0.339 0.000 1.181 263 A CA 1.117 52.857 52.037 -0.494 0.000 0.620 263 A CB -1.460 17.342 19.000 -0.330 0.000 0.821 263 A HN 0.105 nan 8.150 nan 0.000 0.443 264 L N -0.473 120.541 121.223 -0.347 0.000 2.083 264 L HA -0.145 4.195 4.340 0.000 0.000 0.209 264 L C 2.776 179.219 176.870 -0.712 0.000 1.083 264 L CA 1.404 55.939 54.840 -0.509 0.000 0.752 264 L CB -0.589 41.229 42.059 -0.403 0.000 0.899 264 L HN 0.295 nan 8.230 nan 0.000 0.433 265 S N -0.909 114.580 115.700 -0.351 0.000 2.382 265 S HA -0.228 4.242 4.470 0.000 0.000 0.228 265 S C 1.865 176.413 174.600 -0.087 0.000 1.027 265 S CA 1.334 59.435 58.200 -0.164 0.000 0.991 265 S CB -0.376 62.801 63.200 -0.038 0.000 0.823 265 S HN 0.457 nan 8.310 nan 0.000 0.469 266 Y N 2.390 122.558 120.300 -0.220 0.000 2.114 266 Y HA -0.077 4.473 4.550 -0.000 0.000 0.284 266 Y C 1.821 177.671 175.900 -0.083 0.000 1.143 266 Y CA 1.239 59.259 58.100 -0.132 0.000 1.135 266 Y CB -0.674 37.665 38.460 -0.202 0.000 0.980 266 Y HN 0.131 nan 8.280 nan 0.000 0.499 267 L N -0.349 120.648 121.223 -0.377 0.000 2.012 267 L HA -0.311 4.029 4.340 0.000 0.000 0.210 267 L C 2.510 179.292 176.870 -0.147 0.000 1.073 267 L CA 2.128 56.767 54.840 -0.335 0.000 0.748 267 L CB -0.990 40.986 42.059 -0.138 0.000 0.891 267 L HN 0.396 nan 8.230 nan 0.000 0.431 268 H N -0.934 118.074 119.070 -0.103 0.000 2.422 268 H HA -0.149 4.407 4.556 -0.000 0.000 0.298 268 H C 2.535 177.818 175.328 -0.075 0.000 1.098 268 H CA 1.145 57.153 56.048 -0.067 0.000 1.315 268 H CB 0.008 29.753 29.762 -0.028 0.000 1.382 268 H HN 0.438 nan 8.280 nan 0.000 0.523 269 S N 1.392 117.102 115.700 0.016 0.000 2.447 269 S HA -0.090 4.380 4.470 0.000 0.000 0.233 269 S C 1.722 176.291 174.600 -0.052 0.000 1.006 269 S CA 0.944 59.143 58.200 -0.001 0.000 0.957 269 S CB -0.545 62.673 63.200 0.029 0.000 0.773 269 S HN 0.599 nan 8.310 nan 0.000 0.507 270 I N -2.650 117.834 120.570 -0.143 0.000 3.884 270 I HA 0.619 4.789 4.170 0.000 0.000 0.330 270 I C 1.124 177.188 176.117 -0.089 0.000 1.451 270 I CA -0.093 61.129 61.300 -0.130 0.000 1.165 270 I CB -0.456 37.415 38.000 -0.214 0.000 1.097 270 I HN 0.298 nan 8.210 nan 0.000 0.404 271 G N 1.807 110.574 108.800 -0.054 0.000 2.147 271 G HA2 -0.211 3.749 3.960 0.000 0.000 0.244 271 G HA3 -0.211 3.749 3.960 0.000 0.000 0.244 271 G C -0.193 174.678 174.900 -0.049 0.000 1.005 271 G CA 0.237 45.309 45.100 -0.047 0.000 0.713 271 G HN 0.448 nan 8.290 nan 0.000 0.515 272 L N -0.848 120.365 121.223 -0.016 0.000 2.341 272 L HA 0.883 5.223 4.340 0.000 0.000 0.267 272 L C -0.156 176.786 176.870 0.119 0.000 1.009 272 L CA -1.346 53.504 54.840 0.016 0.000 0.819 272 L CB 2.245 44.322 42.059 0.032 0.000 1.323 272 L HN 0.022 nan 8.230 nan 0.000 0.425 273 V N 0.939 120.909 119.914 0.092 0.000 2.789 273 V HA 0.236 4.356 4.120 0.000 0.000 0.311 273 V C -0.287 175.892 176.094 0.141 0.000 1.073 273 V CA -0.193 62.201 62.300 0.156 0.000 0.921 273 V CB 2.165 33.996 31.823 0.012 0.000 1.009 273 V HN 0.710 nan 8.190 nan 0.000 0.426 274 Y N 5.210 125.551 120.300 0.070 0.000 2.365 274 Y HA 0.018 4.568 4.550 -0.000 0.000 0.293 274 Y C 1.799 177.716 175.900 0.029 0.000 1.119 274 Y CA 1.704 59.824 58.100 0.034 0.000 1.203 274 Y CB 0.297 38.766 38.460 0.015 0.000 1.026 274 Y HN 0.920 nan 8.280 nan 0.000 0.549 275 N N -0.669 118.106 118.700 0.124 0.000 2.631 275 N HA -0.292 4.448 4.740 0.000 0.000 0.218 275 N C 0.120 175.680 175.510 0.084 0.000 0.972 275 N CA 1.904 54.986 53.050 0.053 0.000 1.918 275 N CB -1.569 36.898 38.487 -0.032 0.000 0.895 275 N HN 0.480 nan 8.380 nan 0.000 0.540 276 D N 0.648 121.034 120.400 -0.022 0.000 2.670 276 D HA 0.245 4.885 4.640 0.000 0.000 0.255 276 D C -0.442 175.915 176.300 0.095 0.000 1.286 276 D CA -0.407 53.582 54.000 -0.018 0.000 0.830 276 D CB -0.068 40.654 40.800 -0.129 0.000 1.065 276 D HN 0.239 nan 8.370 nan 0.000 0.486 277 L N 2.195 123.600 121.223 0.304 0.000 2.534 277 L HA 0.168 4.508 4.340 0.000 0.000 0.271 277 L C 0.013 176.792 176.870 -0.151 0.000 1.178 277 L CA 0.975 55.930 54.840 0.191 0.000 0.907 277 L CB -0.272 41.862 42.059 0.126 0.000 1.164 277 L HN 0.155 nan 8.230 nan 0.000 0.482 278 K N 2.880 123.129 120.400 -0.252 0.000 2.658 278 K HA 0.462 4.782 4.320 0.000 0.000 0.293 278 K C -2.766 173.695 176.600 -0.233 0.000 1.026 278 K CA -1.423 54.524 56.287 -0.567 0.000 0.871 278 K CB 0.547 32.350 32.500 -1.161 0.000 1.524 278 K HN -0.003 nan 8.250 nan 0.000 0.400 279 P HA -0.273 nan 4.420 nan 0.000 0.216 279 P C 1.058 178.326 177.300 -0.053 0.000 1.150 279 P CA 1.567 64.648 63.100 -0.033 0.000 0.843 279 P CB 0.126 31.864 31.700 0.063 0.000 0.787 280 E N -0.456 119.712 120.200 -0.053 0.000 2.209 280 E HA -0.226 4.124 4.350 0.000 0.000 0.196 280 E C 1.173 177.739 176.600 -0.057 0.000 0.993 280 E CA 1.109 57.480 56.400 -0.047 0.000 0.819 280 E CB -0.398 29.278 29.700 -0.041 0.000 0.745 280 E HN 0.171 nan 8.360 nan 0.000 0.477 281 N N 0.097 118.763 118.700 -0.056 0.000 2.373 281 N HA 0.107 4.847 4.740 0.000 0.000 0.181 281 N C -0.028 175.461 175.510 -0.035 0.000 1.082 281 N CA 0.392 53.435 53.050 -0.012 0.000 0.885 281 N CB 0.501 39.040 38.487 0.087 0.000 0.977 281 N HN 0.215 nan 8.380 nan 0.000 0.462 282 I N 1.053 121.575 120.570 -0.081 0.000 2.321 282 I HA 0.307 4.477 4.170 0.000 0.000 0.291 282 I C -0.207 175.818 176.117 -0.153 0.000 0.998 282 I CA -0.363 60.864 61.300 -0.121 0.000 1.227 282 I CB 1.510 39.430 38.000 -0.133 0.000 1.368 282 I HN -0.186 nan 8.210 nan 0.000 0.466 283 M N 7.389 126.894 119.600 -0.157 0.000 2.259 283 M HA 0.475 4.955 4.480 0.000 0.000 0.304 283 M C -1.749 174.435 176.300 -0.195 0.000 1.019 283 M CA -0.913 54.286 55.300 -0.168 0.000 0.922 283 M CB 2.004 34.524 32.600 -0.133 0.000 1.600 283 M HN 0.511 nan 8.290 nan 0.000 0.433 284 L N 5.515 126.594 121.223 -0.240 0.000 2.305 284 L HA 0.640 4.980 4.340 0.000 0.000 0.281 284 L C -0.072 176.731 176.870 -0.112 0.000 1.085 284 L CA 0.463 55.168 54.840 -0.225 0.000 0.813 284 L CB 1.422 43.291 42.059 -0.317 0.000 1.157 284 L HN 0.875 nan 8.230 nan 0.000 0.436 285 T N -0.193 114.329 114.554 -0.054 0.000 2.919 285 T HA 0.369 4.719 4.350 0.000 0.000 0.282 285 T C 0.902 175.678 174.700 0.128 0.000 1.020 285 T CA -0.289 61.817 62.100 0.010 0.000 0.994 285 T CB 0.880 69.739 68.868 -0.014 0.000 1.180 285 T HN 0.703 nan 8.240 nan 0.000 0.566 286 E N -0.012 120.246 120.200 0.098 0.000 2.164 286 E HA -0.265 4.085 4.350 0.000 0.000 0.206 286 E C 1.764 178.440 176.600 0.125 0.000 1.032 286 E CA 2.244 58.697 56.400 0.088 0.000 0.832 286 E CB 0.046 29.767 29.700 0.035 0.000 0.742 286 E HN 0.810 nan 8.360 nan 0.000 0.460 287 E N -1.098 119.196 120.200 0.156 0.000 2.228 287 E HA 0.060 4.410 4.350 0.000 0.000 0.197 287 E C 0.304 177.042 176.600 0.230 0.000 0.909 287 E CA 0.153 56.643 56.400 0.150 0.000 0.911 287 E CB 0.607 30.343 29.700 0.061 0.000 0.887 287 E HN 0.022 nan 8.360 nan 0.000 0.481 288 Q N -0.292 119.585 119.800 0.127 0.000 2.553 288 Q HA 0.446 4.786 4.340 0.000 0.000 0.293 288 Q C -1.601 174.367 176.000 -0.054 0.000 1.038 288 Q CA -0.878 54.943 55.803 0.030 0.000 0.777 288 Q CB 2.218 30.960 28.738 0.008 0.000 1.487 288 Q HN 0.048 nan 8.270 nan 0.000 0.426 289 L N 1.098 122.276 121.223 -0.074 0.000 2.334 289 L HA 0.460 4.800 4.340 0.000 0.000 0.277 289 L C -0.583 176.243 176.870 -0.073 0.000 1.075 289 L CA 0.232 55.012 54.840 -0.101 0.000 0.804 289 L CB 0.855 42.861 42.059 -0.089 0.000 1.174 289 L HN 0.340 nan 8.230 nan 0.000 0.438 290 K N 2.815 123.160 120.400 -0.091 0.000 2.426 290 K HA 0.564 4.884 4.320 0.000 0.000 0.251 290 K C -1.390 175.156 176.600 -0.089 0.000 0.941 290 K CA -0.769 55.474 56.287 -0.072 0.000 0.808 290 K CB 2.066 34.528 32.500 -0.063 0.000 1.265 290 K HN 0.378 nan 8.250 nan 0.000 0.432 291 L N 4.746 125.920 121.223 -0.083 0.000 2.315 291 L HA 0.281 4.621 4.340 0.000 0.000 0.283 291 L C 1.098 177.975 176.870 0.012 0.000 1.089 291 L CA -0.058 54.738 54.840 -0.073 0.000 0.833 291 L CB 0.179 42.123 42.059 -0.192 0.000 1.170 291 L HN 0.695 nan 8.230 nan 0.000 0.442 292 I N -1.927 118.653 120.570 0.017 0.000 3.928 292 I HA 0.318 4.488 4.170 0.000 0.000 0.335 292 I C -0.097 176.015 176.117 -0.008 0.000 1.325 292 I CA 0.221 61.509 61.300 -0.019 0.000 1.107 292 I CB 0.294 38.254 38.000 -0.068 0.000 1.014 292 I HN 0.414 nan 8.210 nan 0.000 0.400 293 D N 1.534 121.974 120.400 0.066 0.000 2.330 293 D HA 0.310 4.950 4.640 0.000 0.000 0.249 293 D C 0.263 176.503 176.300 -0.100 0.000 1.306 293 D CA -0.335 53.650 54.000 -0.025 0.000 0.956 293 D CB 1.269 42.036 40.800 -0.054 0.000 1.261 293 D HN 0.192 nan 8.370 nan 0.000 0.544 294 L N 1.990 123.161 121.223 -0.086 0.000 2.645 294 L HA 0.232 4.572 4.340 0.000 0.000 0.235 294 L C 2.224 178.997 176.870 -0.162 0.000 1.150 294 L CA 0.150 54.914 54.840 -0.128 0.000 0.911 294 L CB 0.258 42.285 42.059 -0.054 0.000 1.077 294 L HN 0.398 nan 8.230 nan 0.000 0.438 295 G N 0.098 108.798 108.800 -0.167 0.000 2.498 295 G HA2 -0.140 3.820 3.960 0.000 0.000 0.219 295 G HA3 -0.140 3.820 3.960 0.000 0.000 0.219 295 G C 1.289 176.135 174.900 -0.091 0.000 1.119 295 G CA 0.816 45.846 45.100 -0.117 0.000 0.766 295 G HN 0.485 nan 8.290 nan 0.000 0.552 296 A N -0.444 122.291 122.820 -0.141 0.000 2.508 296 A HA 0.600 4.920 4.320 0.000 0.000 0.257 296 A C 0.548 178.125 177.584 -0.011 0.000 1.226 296 A CA -0.197 51.825 52.037 -0.026 0.000 0.947 296 A CB 0.594 19.569 19.000 -0.041 0.000 1.079 296 A HN 0.076 nan 8.150 nan 0.000 0.531 297 V N 2.280 122.152 119.914 -0.071 0.000 2.673 297 V HA 0.352 4.472 4.120 0.000 0.000 0.303 297 V C 0.755 176.919 176.094 0.116 0.000 1.046 297 V CA 1.028 63.330 62.300 0.003 0.000 1.126 297 V CB 0.700 32.556 31.823 0.055 0.000 0.934 297 V HN 0.711 nan 8.190 nan 0.000 0.487 298 S N 5.528 121.233 115.700 0.009 0.000 2.685 298 S HA 0.681 5.151 4.470 0.000 0.000 0.282 298 S C -0.629 173.918 174.600 -0.089 0.000 1.159 298 S CA -1.229 56.953 58.200 -0.030 0.000 0.833 298 S CB 1.630 64.672 63.200 -0.263 0.000 1.151 298 S HN 0.578 nan 8.310 nan 0.000 0.485 299 R N 0.195 120.619 120.500 -0.128 0.000 2.641 299 R HA 0.405 4.745 4.340 0.000 0.000 0.269 299 R C -0.211 176.018 176.300 -0.118 0.000 1.074 299 R CA -0.325 55.697 56.100 -0.131 0.000 1.133 299 R CB 0.148 30.366 30.300 -0.137 0.000 1.029 299 R HN 0.575 nan 8.270 nan 0.000 0.488 300 I N 3.018 123.532 120.570 -0.094 0.000 2.648 300 I HA -0.181 3.989 4.170 0.000 0.000 0.284 300 I C 0.483 176.560 176.117 -0.066 0.000 1.153 300 I CA 0.589 61.835 61.300 -0.089 0.000 1.426 300 I CB 0.259 38.213 38.000 -0.077 0.000 1.381 300 I HN 0.766 nan 8.210 nan 0.000 0.571 301 N N 1.898 120.562 118.700 -0.060 0.000 2.878 301 N HA -0.167 4.573 4.740 0.000 0.000 0.247 301 N C 0.242 175.765 175.510 0.022 0.000 1.021 301 N CA 1.010 54.048 53.050 -0.020 0.000 0.873 301 N CB -1.310 37.172 38.487 -0.008 0.000 1.128 301 N HN 0.796 nan 8.380 nan 0.000 0.571 302 S N -0.284 115.420 115.700 0.008 0.000 2.580 302 S HA 0.294 4.764 4.470 0.000 0.000 0.266 302 S C 0.146 174.868 174.600 0.204 0.000 1.354 302 S CA -0.521 57.736 58.200 0.096 0.000 1.008 302 S CB 0.702 63.943 63.200 0.068 0.000 0.898 302 S HN 0.223 nan 8.310 nan 0.000 0.555 303 F N 1.798 121.811 119.950 0.105 0.000 2.405 303 F HA 0.593 5.120 4.527 -0.000 0.000 0.358 303 F C 0.759 176.644 175.800 0.141 0.000 1.151 303 F CA 0.835 58.894 58.000 0.098 0.000 1.161 303 F CB -0.295 38.737 39.000 0.055 0.000 1.245 303 F HN 1.028 nan 8.300 nan 0.000 0.545 307 Y N -0.109 120.202 120.300 0.018 0.000 2.361 307 Y HA 0.758 5.308 4.550 0.000 0.000 0.332 307 Y C 1.349 177.273 175.900 0.041 0.000 1.101 307 Y CA 0.438 58.553 58.100 0.025 0.000 1.137 307 Y CB 1.590 40.058 38.460 0.013 0.000 1.207 307 Y HN 0.334 nan 8.280 nan 0.000 0.463 308 G N 0.964 109.871 108.800 0.179 0.000 2.451 308 G HA2 -0.128 3.832 3.960 0.000 0.000 0.208 308 G HA3 -0.128 3.832 3.960 0.000 0.000 0.208 308 G C -1.002 173.981 174.900 0.138 0.000 1.248 308 G CA -0.775 44.409 45.100 0.141 0.000 0.989 308 G HN 0.575 nan 8.290 nan 0.000 0.559 309 T N 3.106 117.769 114.554 0.183 0.000 2.791 309 T HA 0.585 4.935 4.350 0.000 0.000 0.288 309 T C -1.239 173.628 174.700 0.279 0.000 0.999 309 T CA -0.450 61.789 62.100 0.231 0.000 0.952 309 T CB 2.182 71.215 68.868 0.275 0.000 0.938 309 T HN 0.317 nan 8.240 nan 0.000 0.444 310 P HA -0.203 nan 4.420 nan 0.000 0.222 310 P C 1.679 179.056 177.300 0.129 0.000 1.159 310 P CA 1.292 64.459 63.100 0.112 0.000 0.920 310 P CB -0.020 31.703 31.700 0.038 0.000 0.793 311 G N -3.390 105.487 108.800 0.129 0.000 2.708 311 G HA2 -0.153 3.807 3.960 0.000 0.000 0.210 311 G HA3 -0.153 3.807 3.960 0.000 0.000 0.210 311 G C 0.610 175.421 174.900 -0.148 0.000 1.141 311 G CA 0.321 45.426 45.100 0.009 0.000 0.788 311 G HN 0.252 nan 8.290 nan 0.000 0.531 312 F N -0.638 119.432 119.950 0.200 0.000 2.831 312 F HA 0.236 4.763 4.527 -0.000 0.000 0.334 312 F C 1.255 177.264 175.800 0.348 0.000 1.071 312 F CA -0.652 57.488 58.000 0.233 0.000 1.172 312 F CB 0.251 39.360 39.000 0.181 0.000 1.054 312 F HN 0.102 nan 8.300 nan 0.000 0.572 313 Q N 1.611 121.651 119.800 0.400 0.000 2.299 313 Q HA 0.666 5.006 4.340 0.000 0.000 0.246 313 Q C -0.095 175.867 176.000 -0.063 0.000 0.935 313 Q CA -0.674 55.266 55.803 0.228 0.000 0.887 313 Q CB 1.650 30.476 28.738 0.146 0.000 1.223 313 Q HN 0.119 nan 8.270 nan 0.000 0.439 314 A N 3.377 125.968 122.820 -0.382 0.000 2.425 314 A HA 0.231 4.551 4.320 0.000 0.000 0.249 314 A C -1.411 175.895 177.584 -0.463 0.000 1.084 314 A CA -1.394 50.062 52.037 -0.969 0.000 0.781 314 A CB -0.109 18.513 19.000 -0.629 0.000 1.019 314 A HN 0.807 nan 8.150 nan 0.000 0.490 315 P HA -0.175 nan 4.420 nan 0.000 0.219 315 P C 0.373 177.590 177.300 -0.137 0.000 1.146 315 P CA 1.528 64.513 63.100 -0.190 0.000 0.808 315 P CB 0.136 31.757 31.700 -0.133 0.000 0.779 316 E N -0.791 119.318 120.200 -0.150 0.000 2.479 316 E HA 0.066 4.416 4.350 0.000 0.000 0.193 316 E C 1.957 178.507 176.600 -0.082 0.000 1.049 316 E CA -0.178 56.163 56.400 -0.098 0.000 0.870 316 E CB -1.367 28.284 29.700 -0.081 0.000 0.944 316 E HN 0.217 nan 8.360 nan 0.000 0.492 317 I N 1.133 121.652 120.570 -0.084 0.000 2.248 317 I HA -0.324 3.847 4.170 0.000 0.000 0.248 317 I C 1.756 177.855 176.117 -0.030 0.000 1.107 317 I CA 1.254 62.531 61.300 -0.039 0.000 1.373 317 I CB 0.116 38.117 38.000 0.002 0.000 1.055 317 I HN 0.155 nan 8.210 nan 0.000 0.418 318 V N -0.726 119.157 119.914 -0.051 0.000 2.343 318 V HA -0.252 3.868 4.120 0.000 0.000 0.247 318 V C 2.604 178.634 176.094 -0.107 0.000 1.051 318 V CA 2.138 64.389 62.300 -0.081 0.000 1.036 318 V CB -1.250 30.529 31.823 -0.073 0.000 0.654 318 V HN 0.456 nan 8.190 nan 0.000 0.451 319 R N 1.358 121.810 120.500 -0.079 0.000 2.062 319 R HA -0.110 4.230 4.340 0.000 0.000 0.226 319 R C 2.443 178.706 176.300 -0.062 0.000 1.125 319 R CA 1.993 58.051 56.100 -0.069 0.000 0.966 319 R CB -0.426 29.844 30.300 -0.050 0.000 0.861 319 R HN 0.710 nan 8.270 nan 0.000 0.433 320 T N -2.729 111.792 114.554 -0.054 0.000 3.051 320 T HA 0.284 4.634 4.350 0.000 0.000 0.255 320 T C 0.958 175.635 174.700 -0.038 0.000 1.085 320 T CA 0.344 62.420 62.100 -0.040 0.000 1.109 320 T CB 0.190 69.034 68.868 -0.040 0.000 0.921 320 T HN 0.533 nan 8.240 nan 0.000 0.488 321 G N 2.439 111.213 108.800 -0.044 0.000 2.782 321 G HA2 -0.058 3.902 3.960 0.000 0.000 0.228 321 G HA3 -0.058 3.902 3.960 0.000 0.000 0.228 321 G C -2.981 171.898 174.900 -0.035 0.000 1.372 321 G CA -0.617 44.473 45.100 -0.017 0.000 0.862 321 G HN 0.486 nan 8.290 nan 0.000 0.547 322 P HA 0.405 nan 4.420 nan 0.000 0.271 322 P C 0.270 177.502 177.300 -0.112 0.000 1.216 322 P CA 0.833 63.848 63.100 -0.141 0.000 0.771 322 P CB 1.103 32.588 31.700 -0.357 0.000 0.864 323 T N -1.662 112.837 114.554 -0.093 0.000 2.841 323 T HA 0.271 4.621 4.350 0.000 0.000 0.296 323 T C 1.078 175.688 174.700 -0.150 0.000 1.166 323 T CA -0.740 61.296 62.100 -0.107 0.000 1.007 323 T CB 0.535 69.357 68.868 -0.077 0.000 1.253 323 T HN -0.036 nan 8.240 nan 0.000 0.511 324 V N 1.380 121.145 119.914 -0.248 0.000 2.282 324 V HA -0.184 3.936 4.120 0.000 0.000 0.249 324 V C 3.188 179.199 176.094 -0.137 0.000 1.057 324 V CA 2.796 64.855 62.300 -0.402 0.000 1.032 324 V CB -1.596 29.987 31.823 -0.399 0.000 0.645 324 V HN 1.089 nan 8.190 nan 0.000 0.447 325 A N 0.650 123.432 122.820 -0.062 0.000 1.917 325 A HA -0.304 4.016 4.320 0.000 0.000 0.219 325 A C 2.523 180.142 177.584 0.059 0.000 1.182 325 A CA 3.045 55.091 52.037 0.015 0.000 0.633 325 A CB -1.150 17.851 19.000 0.002 0.000 0.819 325 A HN 0.696 nan 8.150 nan 0.000 0.448 326 T N -2.587 111.981 114.554 0.022 0.000 2.746 326 T HA -0.168 4.182 4.350 0.000 0.000 0.267 326 T C 1.489 176.278 174.700 0.147 0.000 1.039 326 T CA 1.644 63.779 62.100 0.058 0.000 1.142 326 T CB -0.544 68.326 68.868 0.002 0.000 0.866 326 T HN 0.326 nan 8.240 nan 0.000 0.444 327 D N 1.214 121.683 120.400 0.114 0.000 2.123 327 D HA 0.014 4.654 4.640 0.000 0.000 0.196 327 D C 1.955 178.375 176.300 0.201 0.000 0.992 327 D CA 0.685 54.797 54.000 0.186 0.000 0.833 327 D CB -0.426 40.529 40.800 0.259 0.000 0.954 327 D HN 0.453 nan 8.370 nan 0.000 0.455 328 I N -0.285 120.393 120.570 0.180 0.000 2.286 328 I HA -0.289 3.881 4.170 0.000 0.000 0.248 328 I C 2.107 178.347 176.117 0.206 0.000 1.115 328 I CA 0.793 62.205 61.300 0.188 0.000 1.392 328 I CB -0.190 37.930 38.000 0.200 0.000 1.065 328 I HN 0.046 nan 8.210 nan 0.000 0.418 329 Y N 1.582 121.942 120.300 0.101 0.000 2.165 329 Y HA -0.372 4.178 4.550 -0.000 0.000 0.286 329 Y C 2.883 178.857 175.900 0.123 0.000 1.155 329 Y CA 2.311 60.468 58.100 0.094 0.000 1.164 329 Y CB -0.498 38.007 38.460 0.074 0.000 0.978 329 Y HN 0.332 nan 8.280 nan 0.000 0.513 330 T N -3.130 111.609 114.554 0.307 0.000 2.915 330 T HA -0.126 4.224 4.350 0.000 0.000 0.269 330 T C 1.864 176.664 174.700 0.167 0.000 1.071 330 T CA 1.282 63.547 62.100 0.276 0.000 1.132 330 T CB -1.092 67.942 68.868 0.276 0.000 0.878 330 T HN 0.161 nan 8.240 nan 0.000 0.479 331 V N 2.092 122.073 119.914 0.112 0.000 2.261 331 V HA 0.006 4.126 4.120 0.000 0.000 0.246 331 V C 3.144 179.257 176.094 0.031 0.000 1.047 331 V CA 1.895 64.231 62.300 0.061 0.000 1.015 331 V CB -1.566 30.279 31.823 0.037 0.000 0.642 331 V HN 0.651 nan 8.190 nan 0.000 0.446 332 G N 0.022 108.815 108.800 -0.010 0.000 2.440 332 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 332 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 332 G C 1.716 176.536 174.900 -0.133 0.000 1.154 332 G CA 0.569 45.619 45.100 -0.084 0.000 0.767 332 G HN 0.320 nan 8.290 nan 0.000 0.552 333 R N 0.157 120.561 120.500 -0.159 0.000 2.092 333 R HA -0.015 4.325 4.340 0.000 0.000 0.231 333 R C 2.769 179.106 176.300 0.061 0.000 1.119 333 R CA 1.434 57.446 56.100 -0.146 0.000 0.970 333 R CB -1.414 28.818 30.300 -0.114 0.000 0.864 333 R HN 0.337 nan 8.270 nan 0.000 0.440 334 T N 2.247 116.958 114.554 0.262 0.000 2.708 334 T HA -0.070 4.280 4.350 0.000 0.000 0.266 334 T C 2.097 176.882 174.700 0.141 0.000 1.037 334 T CA 1.069 63.350 62.100 0.301 0.000 1.146 334 T CB -0.216 68.754 68.868 0.169 0.000 0.865 334 T HN 0.108 nan 8.240 nan 0.000 0.435 335 L N 0.777 122.049 121.223 0.081 0.000 1.994 335 L HA -0.117 4.223 4.340 0.000 0.000 0.208 335 L C 3.100 180.013 176.870 0.071 0.000 1.071 335 L CA 1.336 56.236 54.840 0.101 0.000 0.745 335 L CB -0.781 41.355 42.059 0.128 0.000 0.892 335 L HN 0.244 nan 8.230 nan 0.000 0.431 336 A N 0.108 122.901 122.820 -0.045 0.000 1.892 336 A HA -0.281 4.039 4.320 0.000 0.000 0.218 336 A C 2.518 180.007 177.584 -0.159 0.000 1.188 336 A CA 2.199 54.165 52.037 -0.118 0.000 0.631 336 A CB -0.911 17.962 19.000 -0.212 0.000 0.822 336 A HN 0.444 nan 8.150 nan 0.000 0.447 337 A N -0.503 122.180 122.820 -0.229 0.000 1.902 337 A HA -0.039 4.281 4.320 0.000 0.000 0.217 337 A C 2.143 179.675 177.584 -0.087 0.000 1.181 337 A CA 1.549 53.370 52.037 -0.360 0.000 0.623 337 A CB -0.620 18.203 19.000 -0.296 0.000 0.818 337 A HN 0.493 nan 8.150 nan 0.000 0.443 338 L N -0.365 120.876 121.223 0.029 0.000 2.201 338 L HA -0.110 4.230 4.340 0.000 0.000 0.212 338 L C 2.514 179.421 176.870 0.062 0.000 1.105 338 L CA 1.671 56.555 54.840 0.074 0.000 0.775 338 L CB -0.354 41.767 42.059 0.102 0.000 0.913 338 L HN 0.684 nan 8.230 nan 0.000 0.440 339 T N -4.600 109.989 114.554 0.059 0.000 2.955 339 T HA 0.313 4.663 4.350 0.000 0.000 0.251 339 T C 0.554 175.300 174.700 0.077 0.000 1.002 339 T CA -0.239 61.911 62.100 0.083 0.000 0.970 339 T CB 0.185 69.153 68.868 0.167 0.000 1.091 339 T HN -0.034 nan 8.240 nan 0.000 0.495 340 L N 1.371 122.611 121.223 0.027 0.000 2.322 340 L HA 0.545 4.885 4.340 0.000 0.000 0.269 340 L C -0.584 176.280 176.870 -0.011 0.000 1.012 340 L CA -1.103 53.743 54.840 0.010 0.000 0.815 340 L CB 1.531 43.577 42.059 -0.023 0.000 1.295 340 L HN -0.002 nan 8.230 nan 0.000 0.438 341 D N 3.140 123.547 120.400 0.011 0.000 2.551 341 D HA 0.248 4.888 4.640 0.000 0.000 0.223 341 D C -0.277 176.032 176.300 0.016 0.000 1.144 341 D CA 0.103 54.118 54.000 0.026 0.000 1.025 341 D CB 0.315 41.137 40.800 0.036 0.000 1.085 341 D HN 0.224 nan 8.370 nan 0.000 0.506 342 L N 3.796 125.013 121.223 -0.010 0.000 2.319 342 L HA 0.244 4.584 4.340 0.000 0.000 0.280 342 L C -1.614 175.340 176.870 0.141 0.000 1.099 342 L CA -1.535 53.299 54.840 -0.009 0.000 0.828 342 L CB 0.397 42.315 42.059 -0.234 0.000 1.150 342 L HN 0.019 nan 8.230 nan 0.000 0.442 343 P HA 0.127 nan 4.420 nan 0.000 0.272 343 P C -0.697 176.661 177.300 0.097 0.000 1.230 343 P CA -0.300 62.849 63.100 0.082 0.000 0.788 343 P CB 0.846 32.569 31.700 0.039 0.000 0.949 344 T N 1.990 116.561 114.554 0.028 0.000 2.906 344 T HA 0.293 4.643 4.350 0.000 0.000 0.302 344 T C -0.139 174.524 174.700 -0.063 0.000 1.002 344 T CA -0.503 61.568 62.100 -0.050 0.000 0.988 344 T CB 0.768 69.565 68.868 -0.119 0.000 0.972 344 T HN 0.259 nan 8.240 nan 0.000 0.447 345 R N 3.745 124.196 120.500 -0.081 0.000 2.215 345 R HA 0.345 4.685 4.340 0.000 0.000 0.336 345 R C 0.232 176.449 176.300 -0.137 0.000 0.996 345 R CA -0.158 55.895 56.100 -0.079 0.000 0.847 345 R CB 0.277 30.542 30.300 -0.058 0.000 1.127 345 R HN 0.731 nan 8.270 nan 0.000 0.465 346 N N 1.634 120.262 118.700 -0.120 0.000 1.258 346 N HA -0.247 4.493 4.740 0.000 0.000 0.141 346 N C 0.972 176.236 175.510 -0.410 0.000 0.811 346 N CA 2.023 54.945 53.050 -0.213 0.000 0.960 346 N CB -1.337 36.970 38.487 -0.299 0.000 1.205 346 N HN 0.676 nan 8.380 nan 0.000 0.527 347 G N 0.075 108.347 108.800 -0.879 0.000 2.539 347 G HA2 0.063 4.023 3.960 0.000 0.000 0.215 347 G HA3 0.063 4.023 3.960 0.000 0.000 0.215 347 G C 0.407 175.027 174.900 -0.466 0.000 1.141 347 G CA 1.151 45.810 45.100 -0.735 0.000 0.806 347 G HN 0.776 nan 8.290 nan 0.000 0.533 348 R N -0.728 119.535 120.500 -0.396 0.000 2.528 348 R HA 0.510 4.850 4.340 0.000 0.000 0.271 348 R C -1.166 174.957 176.300 -0.296 0.000 1.056 348 R CA -0.937 54.981 56.100 -0.303 0.000 1.117 348 R CB -0.001 30.203 30.300 -0.161 0.000 1.085 348 R HN 0.099 nan 8.270 nan 0.000 0.530 349 Y N 0.416 120.627 120.300 -0.147 0.000 2.309 349 Y HA 0.227 4.777 4.550 0.000 0.000 0.327 349 Y C 0.480 176.302 175.900 -0.130 0.000 1.172 349 Y CA -0.830 57.175 58.100 -0.158 0.000 1.280 349 Y CB 0.819 39.127 38.460 -0.254 0.000 1.234 349 Y HN 0.251 nan 8.280 nan 0.000 0.512 350 V N 3.449 123.409 119.914 0.077 0.000 2.843 350 V HA -0.037 4.083 4.120 0.000 0.000 0.305 350 V C 0.162 176.263 176.094 0.012 0.000 1.065 350 V CA -0.666 61.649 62.300 0.024 0.000 1.116 350 V CB 0.292 32.123 31.823 0.014 0.000 0.968 350 V HN 0.658 nan 8.190 nan 0.000 0.487 351 D N 2.095 122.505 120.400 0.016 0.000 2.378 351 D HA 0.441 5.081 4.640 0.000 0.000 0.238 351 D C 0.729 177.031 176.300 0.004 0.000 1.180 351 D CA 1.727 55.745 54.000 0.030 0.000 0.895 351 D CB 0.500 41.332 40.800 0.054 0.000 1.192 351 D HN 1.090 nan 8.370 nan 0.000 0.438 352 G N -0.607 108.192 108.800 -0.001 0.000 2.750 352 G HA2 -0.171 3.789 3.960 0.000 0.000 0.228 352 G HA3 -0.171 3.789 3.960 0.000 0.000 0.228 352 G C -0.903 173.961 174.900 -0.061 0.000 1.367 352 G CA -0.413 44.671 45.100 -0.026 0.000 0.871 352 G HN 0.491 nan 8.290 nan 0.000 0.560 353 L N 0.497 121.687 121.223 -0.056 0.000 2.354 353 L HA 0.546 4.886 4.340 0.000 0.000 0.269 353 L C -1.920 174.925 176.870 -0.041 0.000 1.005 353 L CA -2.003 52.797 54.840 -0.066 0.000 0.819 353 L CB 1.991 44.003 42.059 -0.078 0.000 1.311 353 L HN 0.464 nan 8.230 nan 0.000 0.423 354 P HA 0.085 nan 4.420 nan 0.000 0.268 354 P C -1.123 176.169 177.300 -0.014 0.000 1.205 354 P CA -0.321 62.767 63.100 -0.019 0.000 0.771 354 P CB 0.316 32.009 31.700 -0.013 0.000 0.858 355 E N 1.176 121.372 120.200 -0.008 0.000 2.259 355 E HA 0.220 4.570 4.350 0.000 0.000 0.281 355 E C -0.515 176.085 176.600 -0.000 0.000 1.027 355 E CA -0.804 55.594 56.400 -0.004 0.000 0.838 355 E CB 0.229 29.927 29.700 -0.003 0.000 1.066 355 E HN 0.295 nan 8.360 nan 0.000 0.401 356 D N 1.317 121.718 120.400 0.002 0.000 2.800 356 D HA -0.165 4.475 4.640 0.000 0.000 0.232 356 D C -0.837 175.466 176.300 0.006 0.000 1.137 356 D CA 1.103 55.105 54.000 0.003 0.000 0.718 356 D CB -0.863 39.936 40.800 -0.000 0.000 1.084 356 D HN 0.718 nan 8.370 nan 0.000 0.432 357 D N 0.698 121.104 120.400 0.010 0.000 2.390 357 D HA 0.066 4.706 4.640 0.000 0.000 0.249 357 D C -1.039 175.276 176.300 0.025 0.000 1.144 357 D CA -1.286 52.725 54.000 0.017 0.000 0.880 357 D CB 1.599 42.410 40.800 0.019 0.000 1.182 357 D HN 0.012 nan 8.370 nan 0.000 0.451 358 P HA -0.093 nan 4.420 nan 0.000 0.220 358 P C 1.686 179.001 177.300 0.024 0.000 1.152 358 P CA 0.306 63.413 63.100 0.012 0.000 0.812 358 P CB 0.368 32.072 31.700 0.006 0.000 0.792 359 V N 0.595 120.551 119.914 0.070 0.000 2.343 359 V HA -0.194 3.926 4.120 0.000 0.000 0.247 359 V C 2.714 178.935 176.094 0.212 0.000 1.051 359 V CA 1.498 63.886 62.300 0.148 0.000 1.036 359 V CB -1.133 30.811 31.823 0.201 0.000 0.654 359 V HN 0.029 nan 8.190 nan 0.000 0.451 360 L N -0.185 121.139 121.223 0.168 0.000 2.217 360 L HA -0.129 4.211 4.340 0.000 0.000 0.211 360 L C 2.476 179.414 176.870 0.112 0.000 1.107 360 L CA 1.454 56.395 54.840 0.169 0.000 0.783 360 L CB -0.535 41.574 42.059 0.083 0.000 0.919 360 L HN 0.343 nan 8.230 nan 0.000 0.442 361 K N -0.160 120.271 120.400 0.053 0.000 2.167 361 K HA -0.096 4.224 4.320 0.000 0.000 0.203 361 K C 1.920 178.499 176.600 -0.035 0.000 1.052 361 K CA 1.274 57.569 56.287 0.014 0.000 0.956 361 K CB 0.138 32.633 32.500 -0.009 0.000 0.735 361 K HN 0.096 nan 8.250 nan 0.000 0.451 362 T N -0.177 114.316 114.554 -0.101 0.000 2.812 362 T HA -0.074 4.276 4.350 0.000 0.000 0.264 362 T C -0.201 174.269 174.700 -0.383 0.000 1.042 362 T CA 1.071 62.982 62.100 -0.316 0.000 1.140 362 T CB -0.112 68.449 68.868 -0.511 0.000 0.870 362 T HN 0.128 nan 8.240 nan 0.000 0.445 363 Y N 1.519 121.864 120.300 0.075 0.000 2.721 363 Y HA 0.363 4.913 4.550 0.000 0.000 0.328 363 Y C 0.771 176.754 175.900 0.138 0.000 1.003 363 Y CA -1.820 56.340 58.100 0.100 0.000 1.275 363 Y CB 0.541 39.063 38.460 0.103 0.000 1.097 363 Y HN 0.080 nan 8.280 nan 0.000 0.514 364 D N 0.945 121.474 120.400 0.216 0.000 2.117 364 D HA -0.199 4.441 4.640 0.000 0.000 0.197 364 D C 2.087 178.499 176.300 0.186 0.000 0.987 364 D CA 2.101 56.203 54.000 0.170 0.000 0.829 364 D CB 0.424 41.301 40.800 0.127 0.000 0.961 364 D HN 0.459 nan 8.370 nan 0.000 0.460 365 S N -1.295 114.536 115.700 0.219 0.000 2.414 365 S HA -0.165 4.305 4.470 0.000 0.000 0.227 365 S C 2.099 176.827 174.600 0.214 0.000 1.022 365 S CA 0.374 58.692 58.200 0.196 0.000 0.958 365 S CB -0.855 62.458 63.200 0.187 0.000 0.797 365 S HN 0.416 nan 8.310 nan 0.000 0.493 366 Y N 3.258 123.619 120.300 0.102 0.000 2.097 366 Y HA 0.002 4.552 4.550 -0.000 0.000 0.282 366 Y C 2.521 178.460 175.900 0.066 0.000 1.152 366 Y CA 1.176 59.313 58.100 0.061 0.000 1.136 366 Y CB -1.218 37.266 38.460 0.039 0.000 0.975 366 Y HN 0.268 nan 8.280 nan 0.000 0.498 367 G N 0.322 109.139 108.800 0.029 0.000 2.529 367 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 367 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 367 G C 1.756 176.617 174.900 -0.064 0.000 1.177 367 G CA 1.387 46.444 45.100 -0.073 0.000 0.773 367 G HN 0.470 nan 8.290 nan 0.000 0.573 368 R N -0.139 120.369 120.500 0.013 0.000 2.120 368 R HA 0.073 4.413 4.340 0.000 0.000 0.234 368 R C 2.587 178.897 176.300 0.016 0.000 1.123 368 R CA 1.104 57.212 56.100 0.013 0.000 0.975 368 R CB -0.518 29.810 30.300 0.046 0.000 0.866 368 R HN 0.436 nan 8.270 nan 0.000 0.446 369 L N 0.898 122.155 121.223 0.057 0.000 2.072 369 L HA -0.088 4.252 4.340 0.000 0.000 0.205 369 L C 2.075 179.003 176.870 0.097 0.000 1.079 369 L CA 1.131 56.073 54.840 0.170 0.000 0.752 369 L CB -0.083 42.082 42.059 0.177 0.000 0.906 369 L HN 0.140 nan 8.230 nan 0.000 0.436 370 L N -0.463 120.690 121.223 -0.116 0.000 1.970 370 L HA -0.266 4.074 4.340 0.000 0.000 0.212 370 L C 2.857 179.664 176.870 -0.104 0.000 1.071 370 L CA 1.558 56.293 54.840 -0.176 0.000 0.751 370 L CB -0.712 41.136 42.059 -0.353 0.000 0.889 370 L HN 0.254 nan 8.230 nan 0.000 0.432 371 R N -0.282 120.157 120.500 -0.101 0.000 2.113 371 R HA -0.260 4.080 4.340 0.000 0.000 0.244 371 R C 2.453 178.697 176.300 -0.094 0.000 1.142 371 R CA 2.114 58.162 56.100 -0.086 0.000 0.953 371 R CB -0.352 29.905 30.300 -0.071 0.000 0.860 371 R HN 0.287 nan 8.270 nan 0.000 0.438 372 R N 0.199 120.623 120.500 -0.126 0.000 2.070 372 R HA -0.108 4.232 4.340 0.000 0.000 0.233 372 R C 2.199 178.382 176.300 -0.195 0.000 1.137 372 R CA 1.596 57.529 56.100 -0.277 0.000 0.945 372 R CB -0.347 29.578 30.300 -0.626 0.000 0.845 372 R HN 0.237 nan 8.270 nan 0.000 0.430 373 A N 1.409 124.240 122.820 0.019 0.000 1.948 373 A HA -0.158 4.162 4.320 0.000 0.000 0.220 373 A C 1.999 179.610 177.584 0.046 0.000 1.177 373 A CA 1.834 53.971 52.037 0.166 0.000 0.636 373 A CB -0.709 18.421 19.000 0.216 0.000 0.815 373 A HN 0.650 nan 8.150 nan 0.000 0.449 374 I N -3.887 116.650 120.570 -0.055 0.000 3.914 374 I HA 0.235 4.405 4.170 0.000 0.000 0.333 374 I C -0.078 176.111 176.117 0.119 0.000 1.449 374 I CA -0.553 60.671 61.300 -0.126 0.000 1.135 374 I CB 0.018 37.770 38.000 -0.413 0.000 1.073 374 I HN -0.005 nan 8.210 nan 0.000 0.401 375 D N 3.580 124.022 120.400 0.070 0.000 2.493 375 D HA 0.021 4.661 4.640 0.000 0.000 0.240 375 D C -1.329 175.037 176.300 0.110 0.000 1.142 375 D CA -1.041 52.989 54.000 0.049 0.000 0.872 375 D CB 1.595 42.381 40.800 -0.023 0.000 1.173 375 D HN 0.063 nan 8.370 nan 0.000 0.467 376 P HA -0.143 nan 4.420 nan 0.000 0.217 376 P C 0.079 177.384 177.300 0.008 0.000 1.151 376 P CA 1.034 64.161 63.100 0.046 0.000 0.849 376 P CB 0.149 31.863 31.700 0.024 0.000 0.787 377 D N -0.765 119.638 120.400 0.005 0.000 2.339 377 D HA 0.045 4.685 4.640 0.000 0.000 0.241 377 D C -1.403 174.893 176.300 -0.006 0.000 1.183 377 D CA -2.539 51.456 54.000 -0.008 0.000 0.859 377 D CB 0.676 41.469 40.800 -0.012 0.000 1.067 377 D HN 0.057 nan 8.370 nan 0.000 0.484 378 P HA -0.131 nan 4.420 nan 0.000 0.219 378 P C 0.966 178.260 177.300 -0.009 0.000 1.146 378 P CA 0.750 63.849 63.100 -0.001 0.000 0.808 378 P CB 0.326 32.017 31.700 -0.014 0.000 0.779 379 R N -0.508 119.983 120.500 -0.016 0.000 2.285 379 R HA -0.025 4.315 4.340 0.000 0.000 0.213 379 R C 2.028 178.304 176.300 -0.039 0.000 1.068 379 R CA 0.733 56.822 56.100 -0.018 0.000 1.004 379 R CB -0.255 30.039 30.300 -0.009 0.000 0.873 379 R HN 0.254 nan 8.270 nan 0.000 0.467 380 Q N 0.134 119.901 119.800 -0.055 0.000 2.356 380 Q HA 0.108 4.448 4.340 0.000 0.000 0.205 380 Q C 0.244 176.139 176.000 -0.176 0.000 0.901 380 Q CA 0.358 56.100 55.803 -0.102 0.000 0.938 380 Q CB 0.626 29.314 28.738 -0.084 0.000 1.081 380 Q HN 0.278 nan 8.270 nan 0.000 0.517 381 R N -0.270 120.156 120.500 -0.124 0.000 2.583 381 R HA 0.269 4.609 4.340 0.000 0.000 0.268 381 R C -0.178 176.013 176.300 -0.182 0.000 1.101 381 R CA -0.631 55.374 56.100 -0.158 0.000 1.180 381 R CB 0.310 30.620 30.300 0.017 0.000 1.128 381 R HN -0.095 nan 8.270 nan 0.000 0.568 382 F N 0.435 120.367 119.950 -0.030 0.000 2.629 382 F HA -0.107 4.420 4.527 -0.000 0.000 0.377 382 F C 1.837 177.636 175.800 -0.003 0.000 1.101 382 F CA 0.639 58.624 58.000 -0.026 0.000 1.301 382 F CB 0.107 39.104 39.000 -0.006 0.000 1.062 382 F HN 0.531 nan 8.300 nan 0.000 0.583 383 T N -0.248 114.406 114.554 0.167 0.000 2.896 383 T HA -0.028 4.322 4.350 0.000 0.000 0.263 383 T C 0.798 175.559 174.700 0.102 0.000 1.050 383 T CA 1.508 63.670 62.100 0.102 0.000 1.140 383 T CB -0.199 68.722 68.868 0.088 0.000 0.877 383 T HN 0.752 nan 8.240 nan 0.000 0.457 384 T N -1.865 112.769 114.554 0.134 0.000 2.901 384 T HA 0.764 5.114 4.350 0.000 0.000 0.293 384 T C 1.237 176.014 174.700 0.128 0.000 1.084 384 T CA -0.357 61.815 62.100 0.120 0.000 1.008 384 T CB 1.865 70.796 68.868 0.106 0.000 1.170 384 T HN -0.082 nan 8.240 nan 0.000 0.509 385 A N 0.102 123.014 122.820 0.153 0.000 1.969 385 A HA 0.014 4.334 4.320 0.000 0.000 0.218 385 A C 2.117 179.713 177.584 0.019 0.000 1.169 385 A CA 1.722 53.815 52.037 0.094 0.000 0.635 385 A CB -0.973 18.088 19.000 0.102 0.000 0.810 385 A HN 0.985 nan 8.150 nan 0.000 0.445 386 E N -0.518 119.707 120.200 0.041 0.000 2.107 386 E HA -0.183 4.167 4.350 0.000 0.000 0.191 386 E C 2.027 178.635 176.600 0.013 0.000 0.982 386 E CA 0.926 57.337 56.400 0.018 0.000 0.809 386 E CB -0.099 29.622 29.700 0.035 0.000 0.756 386 E HN 0.754 nan 8.360 nan 0.000 0.459 387 E N 0.432 120.663 120.200 0.052 0.000 2.085 387 E HA -0.257 4.093 4.350 0.000 0.000 0.194 387 E C 2.094 178.689 176.600 -0.008 0.000 0.994 387 E CA 1.279 57.733 56.400 0.090 0.000 0.801 387 E CB -0.082 29.728 29.700 0.183 0.000 0.743 387 E HN 0.281 nan 8.360 nan 0.000 0.453 388 M N -0.028 119.481 119.600 -0.152 0.000 2.132 388 M HA -0.157 4.323 4.480 0.000 0.000 0.263 388 M C 2.462 178.538 176.300 -0.373 0.000 1.065 388 M CA 1.429 56.370 55.300 -0.598 0.000 1.122 388 M CB -0.073 32.179 32.600 -0.581 0.000 1.365 388 M HN 0.049 nan 8.290 nan 0.000 0.411 389 S N 0.248 115.836 115.700 -0.185 0.000 2.359 389 S HA -0.204 4.266 4.470 0.000 0.000 0.223 389 S C 1.945 176.488 174.600 -0.094 0.000 1.039 389 S CA 1.735 59.863 58.200 -0.120 0.000 1.042 389 S CB -0.434 62.725 63.200 -0.067 0.000 0.915 389 S HN 0.677 nan 8.310 nan 0.000 0.439 390 A N 0.985 123.767 122.820 -0.062 0.000 1.908 390 A HA -0.147 4.173 4.320 0.000 0.000 0.218 390 A C 2.182 179.752 177.584 -0.023 0.000 1.181 390 A CA 1.637 53.657 52.037 -0.029 0.000 0.627 390 A CB -0.657 18.342 19.000 -0.003 0.000 0.818 390 A HN 0.562 nan 8.150 nan 0.000 0.445 391 Q N -1.216 118.559 119.800 -0.042 0.000 2.172 391 Q HA -0.041 4.299 4.340 0.000 0.000 0.200 391 Q C 1.976 177.958 176.000 -0.030 0.000 0.964 391 Q CA 0.910 56.718 55.803 0.009 0.000 0.855 391 Q CB -0.487 28.297 28.738 0.077 0.000 0.918 391 Q HN 0.558 nan 8.270 nan 0.000 0.444 392 L N 0.553 121.709 121.223 -0.111 0.000 2.217 392 L HA -0.053 4.287 4.340 0.000 0.000 0.211 392 L C 1.882 178.720 176.870 -0.052 0.000 1.107 392 L CA 1.602 56.392 54.840 -0.083 0.000 0.783 392 L CB -0.615 41.367 42.059 -0.129 0.000 0.919 392 L HN 0.096 nan 8.230 nan 0.000 0.442 393 T N -0.996 113.528 114.554 -0.050 0.000 2.812 393 T HA -0.061 4.289 4.350 0.000 0.000 0.264 393 T C 1.747 176.434 174.700 -0.022 0.000 1.042 393 T CA 1.079 63.155 62.100 -0.040 0.000 1.140 393 T CB -0.767 68.081 68.868 -0.035 0.000 0.870 393 T HN 0.513 nan 8.240 nan 0.000 0.445 394 G N 1.374 110.173 108.800 -0.002 0.000 2.476 394 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 394 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 394 G C 1.700 176.614 174.900 0.023 0.000 1.164 394 G CA 1.080 46.191 45.100 0.018 0.000 0.768 394 G HN 0.429 nan 8.290 nan 0.000 0.560 395 V N 0.723 120.655 119.914 0.030 0.000 2.295 395 V HA -0.144 3.976 4.120 0.000 0.000 0.246 395 V C 2.694 178.773 176.094 -0.025 0.000 1.049 395 V CA 1.639 63.962 62.300 0.040 0.000 1.024 395 V CB -0.596 31.279 31.823 0.086 0.000 0.648 395 V HN 0.343 nan 8.190 nan 0.000 0.447 396 L N 0.369 121.556 121.223 -0.060 0.000 2.021 396 L HA -0.235 4.105 4.340 0.000 0.000 0.215 396 L C 2.599 179.420 176.870 -0.081 0.000 1.074 396 L CA 2.066 56.842 54.840 -0.107 0.000 0.760 396 L CB -0.729 41.268 42.059 -0.103 0.000 0.889 396 L HN 0.212 nan 8.230 nan 0.000 0.433 397 R N -0.451 120.021 120.500 -0.047 0.000 2.083 397 R HA -0.191 4.149 4.340 0.000 0.000 0.237 397 R C 2.130 178.420 176.300 -0.017 0.000 1.137 397 R CA 1.988 58.067 56.100 -0.034 0.000 0.951 397 R CB -0.459 29.828 30.300 -0.022 0.000 0.851 397 R HN 0.557 nan 8.270 nan 0.000 0.434 398 E N 0.147 120.352 120.200 0.008 0.000 2.153 398 E HA -0.165 4.185 4.350 0.000 0.000 0.194 398 E C 2.107 178.747 176.600 0.065 0.000 0.988 398 E CA 1.508 57.936 56.400 0.047 0.000 0.811 398 E CB -0.069 29.684 29.700 0.087 0.000 0.746 398 E HN 0.347 nan 8.360 nan 0.000 0.466 399 V N -1.304 118.612 119.914 0.003 0.000 2.346 399 V HA -0.136 3.984 4.120 0.000 0.000 0.244 399 V C 2.163 178.257 176.094 0.000 0.000 1.037 399 V CA 1.028 63.319 62.300 -0.015 0.000 1.029 399 V CB -0.446 31.112 31.823 -0.441 0.000 0.663 399 V HN 0.045 nan 8.190 nan 0.000 0.454 400 V N 1.488 121.368 119.914 -0.057 0.000 2.295 400 V HA -0.160 3.960 4.120 0.000 0.000 0.246 400 V C 3.223 179.306 176.094 -0.019 0.000 1.049 400 V CA 2.360 64.631 62.300 -0.048 0.000 1.024 400 V CB -1.488 30.294 31.823 -0.069 0.000 0.648 400 V HN 0.686 nan 8.190 nan 0.000 0.447 401 A N -0.831 121.979 122.820 -0.017 0.000 1.940 401 A HA -0.330 3.990 4.320 0.000 0.000 0.219 401 A C 2.262 179.847 177.584 0.002 0.000 1.176 401 A CA 2.298 54.322 52.037 -0.021 0.000 0.631 401 A CB -0.533 18.446 19.000 -0.035 0.000 0.814 401 A HN 0.631 nan 8.150 nan 0.000 0.446 402 Q N -0.617 119.208 119.800 0.041 0.000 2.049 402 Q HA -0.202 4.138 4.340 0.000 0.000 0.198 402 Q C 1.236 177.268 176.000 0.054 0.000 0.971 402 Q CA 1.614 57.453 55.803 0.060 0.000 0.833 402 Q CB -0.152 28.652 28.738 0.110 0.000 0.896 402 Q HN 0.564 nan 8.270 nan 0.000 0.434 403 D N -0.631 119.816 120.400 0.078 0.000 2.221 403 D HA -0.117 4.523 4.640 0.000 0.000 0.204 403 D C 1.399 177.711 176.300 0.020 0.000 0.982 403 D CA 1.434 55.470 54.000 0.060 0.000 0.857 403 D CB -0.003 40.828 40.800 0.051 0.000 0.934 403 D HN 0.206 nan 8.370 nan 0.000 0.475 404 T N -2.185 112.373 114.554 0.006 0.000 2.969 404 T HA 0.308 4.658 4.350 0.000 0.000 0.250 404 T C 1.236 175.927 174.700 -0.015 0.000 1.021 404 T CA 0.893 62.987 62.100 -0.009 0.000 1.003 404 T CB 0.263 69.120 68.868 -0.020 0.000 1.040 404 T HN 0.216 nan 8.240 nan 0.000 0.492 405 G N 1.200 109.990 108.800 -0.016 0.000 2.153 405 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 405 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 405 G C 0.061 174.934 174.900 -0.044 0.000 0.994 405 G CA 0.445 45.531 45.100 -0.024 0.000 0.698 405 G HN 0.632 nan 8.290 nan 0.000 0.521 406 V N 2.107 121.990 119.914 -0.052 0.000 2.443 406 V HA 0.491 4.611 4.120 0.000 0.000 0.293 406 V C -1.660 174.383 176.094 -0.085 0.000 1.021 406 V CA -1.684 60.576 62.300 -0.068 0.000 0.848 406 V CB 2.220 34.013 31.823 -0.051 0.000 0.998 406 V HN 0.150 nan 8.190 nan 0.000 0.424 407 P HA 0.200 nan 4.420 nan 0.000 0.269 407 P C -0.754 176.488 177.300 -0.097 0.000 1.217 407 P CA -0.298 62.716 63.100 -0.142 0.000 0.783 407 P CB 0.649 32.215 31.700 -0.223 0.000 0.898 408 R N 1.156 121.607 120.500 -0.082 0.000 2.639 408 R HA 0.341 4.681 4.340 0.000 0.000 0.273 408 R C -2.402 173.868 176.300 -0.050 0.000 1.732 408 R CA -1.679 54.386 56.100 -0.059 0.000 1.586 408 R CB 0.773 31.044 30.300 -0.049 0.000 1.263 408 R HN 0.446 nan 8.270 nan 0.000 0.615 409 P HA 0.409 nan 4.420 nan 0.000 0.274 409 P C 0.027 177.314 177.300 -0.023 0.000 1.231 409 P CA -0.035 63.043 63.100 -0.037 0.000 0.790 409 P CB 1.591 33.268 31.700 -0.039 0.000 0.951 410 G N 0.620 109.413 108.800 -0.011 0.000 2.623 410 G HA2 0.448 4.408 3.960 0.000 0.000 0.290 410 G HA3 0.448 4.408 3.960 0.000 0.000 0.290 410 G C -2.164 172.738 174.900 0.003 0.000 1.437 410 G CA -0.602 44.495 45.100 -0.006 0.000 0.798 410 G HN 0.528 nan 8.290 nan 0.000 0.488 411 L N 1.254 122.480 121.223 0.005 0.000 2.275 411 L HA 0.707 5.047 4.340 0.000 0.000 0.288 411 L C 0.932 177.809 176.870 0.011 0.000 1.046 411 L CA -0.422 54.425 54.840 0.011 0.000 0.805 411 L CB 1.453 43.518 42.059 0.010 0.000 1.193 411 L HN 0.605 nan 8.230 nan 0.000 0.426 412 S N 1.889 117.601 115.700 0.020 0.000 2.572 412 S HA 0.171 4.641 4.470 0.000 0.000 0.279 412 S C 1.113 175.710 174.600 -0.005 0.000 1.341 412 S CA 0.225 58.437 58.200 0.019 0.000 1.043 412 S CB 0.608 63.844 63.200 0.059 0.000 0.887 412 S HN 0.846 nan 8.310 nan 0.000 0.516 413 T N 2.012 116.547 114.554 -0.032 0.000 3.069 413 T HA 0.313 4.663 4.350 0.000 0.000 0.252 413 T C 1.157 175.783 174.700 -0.123 0.000 1.053 413 T CA -0.236 61.832 62.100 -0.054 0.000 0.964 413 T CB -0.091 68.755 68.868 -0.037 0.000 1.005 413 T HN 0.557 nan 8.240 nan 0.000 0.532 414 I N -1.107 119.348 120.570 -0.192 0.000 4.197 414 I HA 0.455 4.625 4.170 0.000 0.000 0.307 414 I C -0.219 175.577 176.117 -0.534 0.000 1.236 414 I CA -0.063 60.961 61.300 -0.459 0.000 1.321 414 I CB 0.001 37.500 38.000 -0.834 0.000 1.309 414 I HN 0.181 nan 8.210 nan 0.000 0.450 415 F N 1.479 121.304 119.950 -0.208 0.000 2.546 415 F HA 0.374 4.901 4.527 0.000 0.000 0.320 415 F C 1.058 176.798 175.800 -0.100 0.000 1.076 415 F CA -0.950 56.938 58.000 -0.187 0.000 0.928 415 F CB 1.568 40.421 39.000 -0.245 0.000 1.189 415 F HN -0.170 nan 8.300 nan 0.000 0.465 416 S N 1.984 117.765 115.700 0.135 0.000 2.580 416 S HA 0.353 4.823 4.470 0.000 0.000 0.266 416 S C -2.652 172.012 174.600 0.107 0.000 1.354 416 S CA -1.023 57.237 58.200 0.100 0.000 1.008 416 S CB 0.248 63.508 63.200 0.100 0.000 0.898 416 S HN 0.264 nan 8.310 nan 0.000 0.555 417 P HA 0.211 nan 4.420 nan 0.000 0.271 417 P C -0.298 177.059 177.300 0.096 0.000 1.233 417 P CA -0.394 62.752 63.100 0.078 0.000 0.789 417 P CB 0.196 31.935 31.700 0.066 0.000 0.951 418 S N 0.852 116.611 115.700 0.098 0.000 2.593 418 S HA -0.053 4.417 4.470 0.000 0.000 0.300 418 S C 1.488 176.161 174.600 0.121 0.000 1.267 418 S CA 0.159 58.431 58.200 0.121 0.000 1.065 418 S CB -0.140 63.133 63.200 0.121 0.000 0.807 418 S HN 0.314 nan 8.310 nan 0.000 0.499 419 R N 1.377 121.961 120.500 0.139 0.000 2.161 419 R HA 0.117 4.457 4.340 0.000 0.000 0.213 419 R C 0.957 177.330 176.300 0.122 0.000 1.055 419 R CA 0.478 56.654 56.100 0.127 0.000 0.996 419 R CB 0.162 30.545 30.300 0.139 0.000 0.901 419 R HN 0.555 nan 8.270 nan 0.000 0.456 420 S N -0.984 114.798 115.700 0.137 0.000 2.714 420 S HA 0.208 4.678 4.470 0.000 0.000 0.280 420 S C -1.297 173.377 174.600 0.123 0.000 1.200 420 S CA -0.724 57.553 58.200 0.129 0.000 0.900 420 S CB 1.292 64.566 63.200 0.123 0.000 1.235 420 S HN 0.161 nan 8.310 nan 0.000 0.512 421 T N 0.814 115.414 114.554 0.077 0.000 2.925 421 T HA 0.798 5.148 4.350 0.000 0.000 0.285 421 T C -0.614 174.095 174.700 0.016 0.000 1.021 421 T CA -0.594 61.477 62.100 -0.049 0.000 1.042 421 T CB 0.981 69.707 68.868 -0.236 0.000 1.037 421 T HN 0.841 nan 8.240 nan 0.000 0.481 422 F N -1.592 118.321 119.950 -0.062 0.000 2.577 422 F HA 0.755 5.282 4.527 -0.000 0.000 0.318 422 F C 0.839 176.559 175.800 -0.133 0.000 1.065 422 F CA -0.813 57.145 58.000 -0.071 0.000 0.929 422 F CB 0.904 39.897 39.000 -0.011 0.000 1.237 422 F HN 0.996 nan 8.300 nan 0.000 0.468 423 G N 1.343 110.184 108.800 0.069 0.000 2.249 423 G HA2 -0.246 3.714 3.960 0.000 0.000 0.273 423 G HA3 -0.246 3.714 3.960 0.000 0.000 0.273 423 G C 0.384 175.069 174.900 -0.358 0.000 1.036 423 G CA 0.468 45.534 45.100 -0.056 0.000 0.824 423 G HN 0.835 nan 8.290 nan 0.000 0.504 424 V N 0.499 120.084 119.914 -0.549 0.000 2.649 424 V HA -0.007 4.113 4.120 0.000 0.000 0.248 424 V C 2.290 177.849 176.094 -0.892 0.000 1.054 424 V CA 2.394 64.026 62.300 -1.113 0.000 1.073 424 V CB 0.093 31.282 31.823 -1.058 0.000 0.699 424 V HN 0.709 nan 8.190 nan 0.000 0.463 425 D N -1.286 118.852 120.400 -0.436 0.000 2.369 425 D HA -0.014 4.626 4.640 0.000 0.000 0.211 425 D C 1.709 177.919 176.300 -0.150 0.000 1.077 425 D CA -0.034 53.814 54.000 -0.253 0.000 0.842 425 D CB -0.047 40.664 40.800 -0.148 0.000 0.947 425 D HN 0.202 nan 8.370 nan 0.000 0.509 426 L N 0.334 121.467 121.223 -0.151 0.000 2.089 426 L HA -0.115 4.225 4.340 0.000 0.000 0.213 426 L C 2.208 179.056 176.870 -0.037 0.000 1.079 426 L CA 1.483 56.280 54.840 -0.072 0.000 0.758 426 L CB -0.691 41.332 42.059 -0.061 0.000 0.891 426 L HN 0.205 nan 8.230 nan 0.000 0.433 427 L N -1.597 119.607 121.223 -0.032 0.000 2.567 427 L HA 0.024 4.364 4.340 0.000 0.000 0.225 427 L C 1.633 178.506 176.870 0.005 0.000 1.119 427 L CA 0.108 54.945 54.840 -0.004 0.000 0.871 427 L CB 0.116 42.180 42.059 0.009 0.000 1.036 427 L HN 0.244 nan 8.230 nan 0.000 0.459 428 V N -6.076 113.833 119.914 -0.008 0.000 3.612 428 V HA 0.357 4.477 4.120 0.000 0.000 0.268 428 V C 2.092 178.188 176.094 0.003 0.000 1.365 428 V CA 0.625 62.924 62.300 -0.003 0.000 1.044 428 V CB 0.196 32.011 31.823 -0.014 0.000 0.820 428 V HN 0.090 nan 8.190 nan 0.000 0.444 429 A N 0.727 123.551 122.820 0.006 0.000 1.873 429 A HA -0.216 4.104 4.320 0.000 0.000 0.215 429 A C 2.088 179.697 177.584 0.043 0.000 1.186 429 A CA 2.265 54.311 52.037 0.014 0.000 0.616 429 A CB -1.162 17.844 19.000 0.009 0.000 0.823 429 A HN 0.733 nan 8.150 nan 0.000 0.442 430 H N 0.886 119.941 119.070 -0.025 0.000 2.460 430 H HA -0.073 4.483 4.556 -0.000 0.000 0.297 430 H C 1.486 176.803 175.328 -0.018 0.000 1.103 430 H CA 1.580 57.617 56.048 -0.019 0.000 1.292 430 H CB -0.549 29.202 29.762 -0.017 0.000 1.376 430 H HN 0.578 nan 8.280 nan 0.000 0.531 443 K N 2.844 123.224 120.400 -0.032 0.000 2.249 443 K HA 0.327 4.647 4.320 0.000 0.000 0.280 443 K C -0.190 176.410 176.600 0.000 0.000 1.033 443 K CA -0.938 55.341 56.287 -0.014 0.000 0.946 443 K CB 0.851 33.344 32.500 -0.010 0.000 1.005 443 K HN 0.430 nan 8.250 nan 0.000 0.469 444 L N 3.190 124.419 121.223 0.010 0.000 2.455 444 L HA 0.039 4.379 4.340 0.000 0.000 0.272 444 L C 0.033 176.910 176.870 0.012 0.000 1.174 444 L CA 0.724 55.580 54.840 0.027 0.000 0.869 444 L CB 0.502 42.593 42.059 0.053 0.000 1.130 444 L HN 0.719 nan 8.230 nan 0.000 0.474 445 T N 1.969 116.532 114.554 0.014 0.000 2.895 445 T HA 0.663 5.013 4.350 0.000 0.000 0.283 445 T C 1.041 175.734 174.700 -0.010 0.000 1.014 445 T CA -0.319 61.788 62.100 0.012 0.000 1.037 445 T CB 1.560 70.440 68.868 0.020 0.000 1.006 445 T HN 0.724 nan 8.240 nan 0.000 0.468 446 A N 2.901 125.727 122.820 0.010 0.000 1.908 446 A HA -0.121 4.199 4.320 0.000 0.000 0.218 446 A C 2.084 179.665 177.584 -0.004 0.000 1.181 446 A CA 1.910 53.950 52.037 0.005 0.000 0.627 446 A CB -1.295 17.745 19.000 0.067 0.000 0.818 446 A HN 0.916 nan 8.150 nan 0.000 0.445 447 N N -0.254 118.456 118.700 0.016 0.000 2.104 447 N HA -0.178 4.562 4.740 0.000 0.000 0.190 447 N C 1.771 177.298 175.510 0.027 0.000 1.024 447 N CA 1.555 54.620 53.050 0.025 0.000 0.853 447 N CB -0.269 38.235 38.487 0.029 0.000 1.008 447 N HN 0.729 nan 8.380 nan 0.000 0.424 448 E N 0.576 120.791 120.200 0.026 0.000 2.110 448 E HA -0.143 4.207 4.350 0.000 0.000 0.193 448 E C 1.728 178.357 176.600 0.048 0.000 0.988 448 E CA 0.829 57.263 56.400 0.055 0.000 0.804 448 E CB -0.025 29.718 29.700 0.073 0.000 0.745 448 E HN 0.371 nan 8.360 nan 0.000 0.458 449 I N 0.271 120.781 120.570 -0.100 0.000 2.202 449 I HA -0.256 3.914 4.170 0.000 0.000 0.242 449 I C 2.383 178.439 176.117 -0.100 0.000 1.091 449 I CA 0.633 61.734 61.300 -0.332 0.000 1.368 449 I CB -0.192 37.475 38.000 -0.555 0.000 1.058 449 I HN 0.035 nan 8.210 nan 0.000 0.410 450 V N 0.961 120.862 119.914 -0.021 0.000 2.255 450 V HA -0.302 3.818 4.120 0.000 0.000 0.247 450 V C 2.659 178.822 176.094 0.114 0.000 1.051 450 V CA 2.633 64.969 62.300 0.060 0.000 1.018 450 V CB -1.313 30.550 31.823 0.067 0.000 0.641 450 V HN 0.641 nan 8.190 nan 0.000 0.445 451 T N -1.502 113.113 114.554 0.102 0.000 3.051 451 T HA 0.034 4.384 4.350 0.000 0.000 0.269 451 T C 1.598 176.384 174.700 0.145 0.000 1.127 451 T CA 1.193 63.364 62.100 0.119 0.000 1.107 451 T CB -0.167 68.757 68.868 0.094 0.000 0.898 451 T HN 0.472 nan 8.240 nan 0.000 0.517 452 A N 0.715 123.636 122.820 0.168 0.000 2.115 452 A HA 0.503 4.823 4.320 0.000 0.000 0.211 452 A C 1.053 178.781 177.584 0.239 0.000 1.169 452 A CA -0.332 51.838 52.037 0.221 0.000 0.787 452 A CB -0.259 18.940 19.000 0.333 0.000 0.858 452 A HN 0.517 nan 8.150 nan 0.000 0.474 453 L N 1.467 122.825 121.223 0.224 0.000 2.514 453 L HA 0.043 4.383 4.340 0.000 0.000 0.280 453 L C 0.639 177.673 176.870 0.273 0.000 1.223 453 L CA -0.416 54.578 54.840 0.256 0.000 0.864 453 L CB 0.494 42.726 42.059 0.288 0.000 1.118 453 L HN 0.174 nan 8.230 nan 0.000 0.494 454 S N 1.182 117.025 115.700 0.238 0.000 2.569 454 S HA 0.281 4.751 4.470 0.000 0.000 0.274 454 S C -0.161 174.625 174.600 0.309 0.000 1.353 454 S CA -0.717 57.605 58.200 0.205 0.000 1.023 454 S CB 1.125 64.371 63.200 0.077 0.000 0.876 454 S HN 0.457 nan 8.310 nan 0.000 0.540 455 V N -0.701 119.367 119.914 0.257 0.000 3.001 455 V HA 0.690 4.810 4.120 0.000 0.000 0.314 455 V C -3.042 173.074 176.094 0.035 0.000 1.099 455 V CA -3.155 59.271 62.300 0.211 0.000 0.989 455 V CB 1.283 33.262 31.823 0.260 0.000 1.040 455 V HN 0.532 nan 8.190 nan 0.000 0.434 456 P HA 0.324 nan 4.420 nan 0.000 0.271 456 P C -0.253 176.930 177.300 -0.195 0.000 1.220 456 P CA -0.055 62.793 63.100 -0.420 0.000 0.768 456 P CB 0.351 31.681 31.700 -0.617 0.000 0.848 457 L N 2.782 123.897 121.223 -0.181 0.000 2.456 457 L HA 0.095 4.435 4.340 0.000 0.000 0.272 457 L C 0.481 177.303 176.870 -0.080 0.000 1.189 457 L CA -0.474 54.312 54.840 -0.090 0.000 0.846 457 L CB 0.181 42.191 42.059 -0.082 0.000 1.111 457 L HN 0.130 nan 8.230 nan 0.000 0.475 458 V N 2.044 121.932 119.914 -0.044 0.000 2.470 458 V HA -0.030 4.090 4.120 0.000 0.000 0.276 458 V C 0.449 176.528 176.094 -0.025 0.000 1.040 458 V CA -0.344 61.934 62.300 -0.037 0.000 1.008 458 V CB 0.958 32.768 31.823 -0.021 0.000 0.990 458 V HN 0.654 nan 8.190 nan 0.000 0.477 459 D N 8.586 128.972 120.400 -0.025 0.000 2.479 459 D HA 0.010 4.650 4.640 0.000 0.000 0.257 459 D C -1.110 175.193 176.300 0.004 0.000 1.230 459 D CA -1.339 52.660 54.000 -0.002 0.000 0.912 459 D CB 1.493 42.294 40.800 0.001 0.000 1.130 459 D HN 0.337 nan 8.370 nan 0.000 0.515 460 P HA -0.072 nan 4.420 nan 0.000 0.237 460 P C 0.935 178.247 177.300 0.020 0.000 1.178 460 P CA 0.639 63.747 63.100 0.014 0.000 0.766 460 P CB -0.033 31.676 31.700 0.015 0.000 0.876 461 T N -4.859 109.708 114.554 0.021 0.000 3.113 461 T HA -0.001 4.349 4.350 0.000 0.000 0.256 461 T C 0.736 175.452 174.700 0.026 0.000 1.131 461 T CA -0.179 61.935 62.100 0.024 0.000 1.074 461 T CB -0.559 68.324 68.868 0.025 0.000 0.944 461 T HN 0.011 nan 8.240 nan 0.000 0.516 462 D N 1.076 121.490 120.400 0.024 0.000 2.414 462 D HA 0.050 4.690 4.640 0.000 0.000 0.242 462 D C 1.494 177.827 176.300 0.056 0.000 1.129 462 D CA -0.117 53.901 54.000 0.030 0.000 0.885 462 D CB 1.790 42.599 40.800 0.014 0.000 1.198 462 D HN -0.033 nan 8.370 nan 0.000 0.437 463 V N 3.723 123.683 119.914 0.077 0.000 2.317 463 V HA -0.272 3.848 4.120 0.000 0.000 0.251 463 V C 2.038 178.272 176.094 0.234 0.000 1.065 463 V CA 2.460 64.837 62.300 0.128 0.000 1.049 463 V CB -0.621 31.288 31.823 0.144 0.000 0.651 463 V HN 0.715 nan 8.190 nan 0.000 0.450 464 A N -0.966 121.967 122.820 0.188 0.000 2.345 464 A HA 0.538 4.858 4.320 0.000 0.000 0.225 464 A C 2.163 179.759 177.584 0.021 0.000 1.243 464 A CA 0.836 52.934 52.037 0.102 0.000 0.875 464 A CB -0.300 18.618 19.000 -0.137 0.000 0.929 464 A HN 0.488 nan 8.150 nan 0.000 0.502 465 A N -0.242 122.603 122.820 0.043 0.000 1.948 465 A HA -0.159 4.161 4.320 0.000 0.000 0.220 465 A C 2.386 179.978 177.584 0.015 0.000 1.177 465 A CA 2.189 54.236 52.037 0.017 0.000 0.636 465 A CB -0.674 18.340 19.000 0.023 0.000 0.815 465 A HN 0.485 nan 8.150 nan 0.000 0.449 466 S N -0.878 114.846 115.700 0.041 0.000 2.395 466 S HA -0.082 4.388 4.470 0.000 0.000 0.225 466 S C 1.946 176.558 174.600 0.020 0.000 1.027 466 S CA 1.403 59.625 58.200 0.037 0.000 0.965 466 S CB -0.542 62.694 63.200 0.059 0.000 0.812 466 S HN 0.840 nan 8.310 nan 0.000 0.482 467 V N 0.099 120.015 119.914 0.004 0.000 2.667 467 V HA 0.085 4.205 4.120 0.000 0.000 0.252 467 V C 1.945 177.988 176.094 -0.085 0.000 1.065 467 V CA 1.257 63.523 62.300 -0.057 0.000 1.083 467 V CB -0.908 30.818 31.823 -0.161 0.000 0.692 467 V HN 0.437 nan 8.190 nan 0.000 0.468 468 L N -0.226 120.948 121.223 -0.081 0.000 2.240 468 L HA -0.041 4.299 4.340 0.000 0.000 0.211 468 L C 2.713 179.562 176.870 -0.034 0.000 1.106 468 L CA 1.480 56.279 54.840 -0.069 0.000 0.793 468 L CB -0.515 41.504 42.059 -0.066 0.000 0.927 468 L HN 0.392 nan 8.230 nan 0.000 0.446 469 Q N 0.623 120.412 119.800 -0.019 0.000 2.172 469 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 469 Q C 2.151 178.148 176.000 -0.005 0.000 0.964 469 Q CA 1.645 57.445 55.803 -0.006 0.000 0.855 469 Q CB -0.101 28.639 28.738 0.002 0.000 0.918 469 Q HN 0.395 nan 8.270 nan 0.000 0.444 470 A N -0.386 122.428 122.820 -0.010 0.000 1.969 470 A HA -0.114 4.206 4.320 0.000 0.000 0.218 470 A C 2.095 179.672 177.584 -0.013 0.000 1.169 470 A CA 1.833 53.864 52.037 -0.009 0.000 0.635 470 A CB -0.937 18.057 19.000 -0.010 0.000 0.810 470 A HN 0.552 nan 8.150 nan 0.000 0.445 471 T N -3.338 111.202 114.554 -0.023 0.000 3.169 471 T HA 0.123 4.473 4.350 0.000 0.000 0.250 471 T C 1.369 176.064 174.700 -0.010 0.000 1.111 471 T CA 0.718 62.804 62.100 -0.023 0.000 1.010 471 T CB 0.014 68.857 68.868 -0.041 0.000 0.984 471 T HN 0.043 nan 8.240 nan 0.000 0.537 472 V N 1.051 120.964 119.914 -0.003 0.000 2.594 472 V HA 0.061 4.181 4.120 0.000 0.000 0.253 472 V C 2.053 178.156 176.094 0.015 0.000 1.069 472 V CA 1.517 63.822 62.300 0.008 0.000 1.082 472 V CB -0.358 31.472 31.823 0.011 0.000 0.680 472 V HN 0.648 nan 8.190 nan 0.000 0.469 473 L N -0.677 120.554 121.223 0.012 0.000 2.607 473 L HA 0.205 4.545 4.340 0.000 0.000 0.228 473 L C 0.922 177.800 176.870 0.014 0.000 1.123 473 L CA -0.110 54.740 54.840 0.016 0.000 0.890 473 L CB 0.010 42.077 42.059 0.015 0.000 1.103 473 L HN 0.143 nan 8.230 nan 0.000 0.468 474 S N 0.909 116.614 115.700 0.008 0.000 2.531 474 S HA 0.144 4.614 4.470 0.000 0.000 0.279 474 S C 0.415 175.021 174.600 0.009 0.000 1.305 474 S CA -0.564 57.639 58.200 0.004 0.000 1.058 474 S CB 0.802 63.999 63.200 -0.006 0.000 0.899 474 S HN 0.143 nan 8.310 nan 0.000 0.493 475 Q N 2.568 122.374 119.800 0.011 0.000 2.584 475 Q HA 0.083 4.423 4.340 0.000 0.000 0.235 475 Q C -1.410 174.596 176.000 0.009 0.000 1.079 475 Q CA -1.491 54.321 55.803 0.015 0.000 0.977 475 Q CB -0.632 28.115 28.738 0.015 0.000 1.293 475 Q HN 0.320 nan 8.270 nan 0.000 0.553 476 P HA -0.167 nan 4.420 nan 0.000 0.215 476 P C 1.311 178.607 177.300 -0.006 0.000 1.157 476 P CA 1.113 64.216 63.100 0.005 0.000 0.874 476 P CB 0.176 31.883 31.700 0.013 0.000 0.790 477 V N -0.832 119.080 119.914 -0.003 0.000 2.548 477 V HA -0.211 3.909 4.120 0.000 0.000 0.249 477 V C 2.632 178.719 176.094 -0.012 0.000 1.055 477 V CA 1.716 64.011 62.300 -0.008 0.000 1.065 477 V CB -1.109 30.712 31.823 -0.003 0.000 0.681 477 V HN 0.092 nan 8.190 nan 0.000 0.462 478 Q N 0.397 120.191 119.800 -0.009 0.000 2.049 478 Q HA -0.148 4.192 4.340 0.000 0.000 0.198 478 Q C 2.237 178.224 176.000 -0.022 0.000 0.971 478 Q CA 2.425 58.221 55.803 -0.012 0.000 0.833 478 Q CB -0.710 28.024 28.738 -0.006 0.000 0.896 478 Q HN 0.599 nan 8.270 nan 0.000 0.434 479 T N 1.209 115.749 114.554 -0.023 0.000 2.624 479 T HA -0.209 4.141 4.350 0.000 0.000 0.268 479 T C 1.725 176.395 174.700 -0.051 0.000 1.041 479 T CA 1.779 63.857 62.100 -0.037 0.000 1.159 479 T CB -0.493 68.356 68.868 -0.031 0.000 0.863 479 T HN 0.241 nan 8.240 nan 0.000 0.434 480 L N 0.662 121.859 121.223 -0.044 0.000 2.012 480 L HA -0.162 4.178 4.340 0.000 0.000 0.210 480 L C 2.584 179.425 176.870 -0.049 0.000 1.073 480 L CA 1.424 56.233 54.840 -0.050 0.000 0.748 480 L CB -0.666 41.368 42.059 -0.040 0.000 0.891 480 L HN 0.169 nan 8.230 nan 0.000 0.431 481 D N -0.512 119.866 120.400 -0.036 0.000 2.123 481 D HA -0.165 4.475 4.640 0.000 0.000 0.196 481 D C 2.429 178.705 176.300 -0.041 0.000 0.992 481 D CA 1.407 55.389 54.000 -0.030 0.000 0.833 481 D CB -0.100 40.689 40.800 -0.019 0.000 0.954 481 D HN 0.106 nan 8.370 nan 0.000 0.455 482 S N -0.352 115.319 115.700 -0.049 0.000 2.356 482 S HA -0.040 4.430 4.470 0.000 0.000 0.223 482 S C 2.075 176.615 174.600 -0.100 0.000 1.032 482 S CA 0.568 58.731 58.200 -0.062 0.000 1.005 482 S CB -0.118 63.046 63.200 -0.059 0.000 0.867 482 S HN 0.237 nan 8.310 nan 0.000 0.449 483 L N 0.448 121.602 121.223 -0.115 0.000 2.131 483 L HA 0.050 4.390 4.340 0.000 0.000 0.206 483 L C 2.628 179.407 176.870 -0.150 0.000 1.087 483 L CA 0.864 55.605 54.840 -0.165 0.000 0.767 483 L CB -0.339 41.627 42.059 -0.155 0.000 0.917 483 L HN 0.201 nan 8.230 nan 0.000 0.441 484 R N 0.412 120.853 120.500 -0.100 0.000 2.092 484 R HA -0.126 4.214 4.340 0.000 0.000 0.231 484 R C 2.362 178.617 176.300 -0.075 0.000 1.119 484 R CA 1.359 57.415 56.100 -0.073 0.000 0.970 484 R CB -0.201 30.074 30.300 -0.043 0.000 0.864 484 R HN 0.315 nan 8.270 nan 0.000 0.440 485 A N 0.576 123.351 122.820 -0.074 0.000 1.877 485 A HA -0.121 4.199 4.320 0.000 0.000 0.216 485 A C 2.365 179.819 177.584 -0.217 0.000 1.186 485 A CA 1.724 53.722 52.037 -0.065 0.000 0.620 485 A CB -1.023 17.960 19.000 -0.028 0.000 0.822 485 A HN 0.505 nan 8.150 nan 0.000 0.443 486 A N -0.236 122.448 122.820 -0.226 0.000 1.883 486 A HA -0.212 4.108 4.320 0.000 0.000 0.217 486 A C 2.282 179.668 177.584 -0.330 0.000 1.186 486 A CA 1.726 53.600 52.037 -0.271 0.000 0.624 486 A CB -0.506 18.298 19.000 -0.327 0.000 0.822 486 A HN 0.573 nan 8.150 nan 0.000 0.444 487 R N -3.011 117.348 120.500 -0.235 0.000 2.075 487 R HA -0.006 4.334 4.340 0.000 0.000 0.230 487 R C 0.896 177.127 176.300 -0.115 0.000 1.140 487 R CA 1.777 57.822 56.100 -0.091 0.000 0.928 487 R CB -0.291 29.983 30.300 -0.044 0.000 0.834 487 R HN 0.817 nan 8.270 nan 0.000 0.429 488 H N -3.788 115.307 119.070 0.042 0.000 4.100 488 H HA -0.050 4.506 4.556 0.000 0.000 0.133 488 H C 0.117 175.454 175.328 0.015 0.000 0.648 488 H CA -0.116 55.951 56.048 0.031 0.000 1.149 488 H CB -0.817 28.968 29.762 0.038 0.000 0.592 488 H HN 0.511 nan 8.280 nan 0.000 0.670 489 G N -0.219 108.641 108.800 0.099 0.000 2.578 489 G HA2 0.676 4.636 3.960 0.000 0.000 0.302 489 G HA3 0.676 4.636 3.960 0.000 0.000 0.302 489 G C -0.495 174.420 174.900 0.026 0.000 1.243 489 G CA 0.033 45.167 45.100 0.057 0.000 0.843 489 G HN 0.974 nan 8.290 nan 0.000 0.486 498 F N 2.469 122.411 119.950 -0.012 0.000 2.661 498 F HA 0.183 4.710 4.527 0.000 0.000 0.298 498 F C 2.414 178.197 175.800 -0.027 0.000 1.137 498 F CA 0.984 58.968 58.000 -0.026 0.000 1.454 498 F CB -0.530 38.444 39.000 -0.043 0.000 1.103 498 F HN 0.135 nan 8.300 nan 0.000 0.577 499 S N -0.330 115.445 115.700 0.127 0.000 2.423 499 S HA -0.219 4.251 4.470 0.000 0.000 0.238 499 S C 1.627 176.252 174.600 0.043 0.000 1.028 499 S CA 1.461 59.702 58.200 0.068 0.000 1.000 499 S CB -0.372 62.849 63.200 0.036 0.000 0.797 499 S HN 0.421 nan 8.310 nan 0.000 0.487 500 E N 1.276 121.502 120.200 0.044 0.000 2.442 500 E HA 0.187 4.537 4.350 0.000 0.000 0.195 500 E C 0.684 177.299 176.600 0.024 0.000 1.030 500 E CA -0.012 56.401 56.400 0.022 0.000 0.869 500 E CB -0.040 29.668 29.700 0.014 0.000 0.857 500 E HN 0.474 nan 8.360 nan 0.000 0.505 501 S N 0.508 116.241 115.700 0.055 0.000 2.558 501 S HA 0.019 4.489 4.470 0.000 0.000 0.293 501 S C 1.246 175.840 174.600 -0.010 0.000 1.292 501 S CA -0.306 57.917 58.200 0.038 0.000 1.063 501 S CB 0.809 64.042 63.200 0.055 0.000 0.831 501 S HN -0.091 nan 8.310 nan 0.000 0.499 502 V N 4.748 124.646 119.914 -0.026 0.000 2.788 502 V HA 0.086 4.206 4.120 0.000 0.000 0.241 502 V C 2.271 178.328 176.094 -0.061 0.000 1.083 502 V CA 0.515 62.784 62.300 -0.053 0.000 1.103 502 V CB -0.457 31.331 31.823 -0.059 0.000 0.800 502 V HN 0.769 nan 8.190 nan 0.000 0.476 503 E N 0.420 120.589 120.200 -0.052 0.000 2.106 503 E HA -0.174 4.176 4.350 0.000 0.000 0.192 503 E C 2.120 178.676 176.600 -0.073 0.000 0.984 503 E CA 1.041 57.408 56.400 -0.056 0.000 0.806 503 E CB -0.142 29.532 29.700 -0.045 0.000 0.750 503 E HN 0.493 nan 8.360 nan 0.000 0.458 504 L N 1.114 122.283 121.223 -0.090 0.000 1.955 504 L HA -0.157 4.183 4.340 0.000 0.000 0.213 504 L C -0.773 176.024 176.870 -0.122 0.000 1.072 504 L CA 1.913 56.675 54.840 -0.130 0.000 0.755 504 L CB -1.070 40.882 42.059 -0.179 0.000 0.888 504 L HN 0.079 nan 8.230 nan 0.000 0.432 505 P HA -0.201 nan 4.420 nan 0.000 0.216 505 P C 1.917 179.132 177.300 -0.141 0.000 1.150 505 P CA 1.548 64.581 63.100 -0.112 0.000 0.843 505 P CB -0.040 31.602 31.700 -0.097 0.000 0.787 506 L N -2.338 118.809 121.223 -0.128 0.000 2.083 506 L HA -0.182 4.158 4.340 0.000 0.000 0.209 506 L C 2.455 179.169 176.870 -0.260 0.000 1.083 506 L CA 1.335 56.076 54.840 -0.164 0.000 0.752 506 L CB -0.679 41.375 42.059 -0.008 0.000 0.899 506 L HN 0.025 nan 8.230 nan 0.000 0.433 507 M N 0.078 119.589 119.600 -0.149 0.000 2.132 507 M HA -0.184 4.296 4.480 0.000 0.000 0.263 507 M C 2.019 178.224 176.300 -0.157 0.000 1.065 507 M CA 1.751 56.976 55.300 -0.125 0.000 1.122 507 M CB -0.288 32.260 32.600 -0.087 0.000 1.365 507 M HN 0.106 nan 8.290 nan 0.000 0.411 508 E N -1.135 118.972 120.200 -0.155 0.000 2.085 508 E HA -0.188 4.162 4.350 0.000 0.000 0.194 508 E C 1.964 178.465 176.600 -0.165 0.000 0.994 508 E CA 1.627 57.945 56.400 -0.136 0.000 0.801 508 E CB -0.310 29.320 29.700 -0.118 0.000 0.743 508 E HN 0.346 nan 8.360 nan 0.000 0.453 509 V N 1.256 121.024 119.914 -0.244 0.000 2.295 509 V HA -0.279 3.841 4.120 0.000 0.000 0.246 509 V C 2.472 178.356 176.094 -0.351 0.000 1.049 509 V CA 1.906 64.026 62.300 -0.300 0.000 1.024 509 V CB -0.502 31.083 31.823 -0.397 0.000 0.648 509 V HN 0.241 nan 8.190 nan 0.000 0.447 510 R N 0.127 120.327 120.500 -0.500 0.000 2.091 510 R HA -0.198 4.142 4.340 0.000 0.000 0.238 510 R C 2.216 178.476 176.300 -0.067 0.000 1.136 510 R CA 1.891 57.824 56.100 -0.278 0.000 0.959 510 R CB -0.392 29.836 30.300 -0.119 0.000 0.856 510 R HN 0.500 nan 8.270 nan 0.000 0.437 511 A N 0.735 123.508 122.820 -0.079 0.000 1.929 511 A HA -0.043 4.277 4.320 0.000 0.000 0.216 511 A C 2.190 179.757 177.584 -0.027 0.000 1.176 511 A CA 0.802 52.820 52.037 -0.032 0.000 0.628 511 A CB -0.306 18.669 19.000 -0.041 0.000 0.816 511 A HN 0.323 nan 8.150 nan 0.000 0.444 512 L N -0.689 120.503 121.223 -0.051 0.000 2.093 512 L HA -0.125 4.215 4.340 0.000 0.000 0.208 512 L C 2.430 179.292 176.870 -0.014 0.000 1.085 512 L CA 0.815 55.634 54.840 -0.035 0.000 0.755 512 L CB -0.440 41.589 42.059 -0.050 0.000 0.904 512 L HN 0.352 nan 8.230 nan 0.000 0.435 513 L N -0.733 120.485 121.223 -0.009 0.000 2.109 513 L HA -0.181 4.159 4.340 0.000 0.000 0.207 513 L C 2.113 179.009 176.870 0.044 0.000 1.086 513 L CA 0.846 55.702 54.840 0.027 0.000 0.760 513 L CB -0.584 41.512 42.059 0.061 0.000 0.910 513 L HN 0.200 nan 8.230 nan 0.000 0.437 514 D N 0.325 120.756 120.400 0.051 0.000 2.182 514 D HA -0.157 4.483 4.640 0.000 0.000 0.201 514 D C 2.128 178.450 176.300 0.038 0.000 0.986 514 D CA 1.306 55.339 54.000 0.056 0.000 0.847 514 D CB -0.085 40.750 40.800 0.060 0.000 0.942 514 D HN 0.287 nan 8.370 nan 0.000 0.467 515 L N -0.970 120.267 121.223 0.023 0.000 2.591 515 L HA 0.183 4.523 4.340 0.000 0.000 0.228 515 L C 1.632 178.510 176.870 0.014 0.000 1.133 515 L CA 0.380 55.230 54.840 0.016 0.000 0.880 515 L CB 0.008 42.071 42.059 0.006 0.000 1.033 515 L HN 0.123 nan 8.230 nan 0.000 0.450 516 G N -0.264 108.547 108.800 0.018 0.000 2.184 516 G HA2 -0.275 3.685 3.960 0.000 0.000 0.264 516 G HA3 -0.275 3.685 3.960 0.000 0.000 0.264 516 G C 0.060 174.964 174.900 0.007 0.000 0.975 516 G CA 0.231 45.340 45.100 0.015 0.000 0.642 516 G HN 0.350 nan 8.290 nan 0.000 0.536 517 D N 0.601 121.002 120.400 0.002 0.000 2.767 517 D HA 0.282 4.922 4.640 0.000 0.000 0.231 517 D C 1.655 177.951 176.300 -0.006 0.000 1.105 517 D CA 0.332 54.329 54.000 -0.004 0.000 1.024 517 D CB 0.720 41.515 40.800 -0.009 0.000 1.123 517 D HN 0.200 nan 8.370 nan 0.000 0.470 518 V N 1.170 121.082 119.914 -0.003 0.000 2.490 518 V HA -0.259 3.861 4.120 0.000 0.000 0.250 518 V C 2.046 178.137 176.094 -0.005 0.000 1.061 518 V CA 2.223 64.522 62.300 -0.003 0.000 1.064 518 V CB 0.004 31.825 31.823 -0.003 0.000 0.670 518 V HN 0.427 nan 8.190 nan 0.000 0.461 519 A N -0.290 122.526 122.820 -0.006 0.000 1.858 519 A HA -0.231 4.089 4.320 0.000 0.000 0.216 519 A C 2.245 179.825 177.584 -0.006 0.000 1.190 519 A CA 2.051 54.084 52.037 -0.006 0.000 0.617 519 A CB -0.575 18.422 19.000 -0.006 0.000 0.827 519 A HN 0.576 nan 8.150 nan 0.000 0.443 520 K N -0.371 120.023 120.400 -0.011 0.000 2.103 520 K HA -0.088 4.232 4.320 0.000 0.000 0.207 520 K C 2.205 178.792 176.600 -0.022 0.000 1.048 520 K CA 1.139 57.416 56.287 -0.016 0.000 0.930 520 K CB -0.285 32.203 32.500 -0.020 0.000 0.716 520 K HN 0.465 nan 8.250 nan 0.000 0.444 521 A N 0.987 123.794 122.820 -0.022 0.000 1.929 521 A HA -0.121 4.199 4.320 0.000 0.000 0.216 521 A C 2.213 179.791 177.584 -0.011 0.000 1.176 521 A CA 1.902 53.920 52.037 -0.031 0.000 0.628 521 A CB -0.781 18.199 19.000 -0.032 0.000 0.816 521 A HN 0.456 nan 8.150 nan 0.000 0.444 522 T N -2.765 111.794 114.554 0.009 0.000 2.985 522 T HA -0.014 4.336 4.350 0.000 0.000 0.266 522 T C 1.919 176.643 174.700 0.039 0.000 1.076 522 T CA 0.969 63.092 62.100 0.039 0.000 1.135 522 T CB -0.231 68.659 68.868 0.037 0.000 0.890 522 T HN 0.445 nan 8.240 nan 0.000 0.480 523 R N 0.858 121.366 120.500 0.013 0.000 2.092 523 R HA 0.117 4.457 4.340 0.000 0.000 0.231 523 R C 2.631 178.922 176.300 -0.015 0.000 1.119 523 R CA 1.158 57.261 56.100 0.004 0.000 0.970 523 R CB -0.156 30.142 30.300 -0.004 0.000 0.864 523 R HN 0.370 nan 8.270 nan 0.000 0.440 524 K N 0.652 121.035 120.400 -0.027 0.000 2.057 524 K HA -0.076 4.244 4.320 0.000 0.000 0.206 524 K C 2.015 178.573 176.600 -0.069 0.000 1.050 524 K CA 0.931 57.186 56.287 -0.053 0.000 0.935 524 K CB 0.035 32.496 32.500 -0.065 0.000 0.715 524 K HN 0.089 nan 8.250 nan 0.000 0.439 525 L N 0.839 122.038 121.223 -0.039 0.000 2.017 525 L HA -0.232 4.108 4.340 0.000 0.000 0.208 525 L C 1.943 178.726 176.870 -0.146 0.000 1.073 525 L CA 1.302 56.112 54.840 -0.051 0.000 0.745 525 L CB -0.390 41.736 42.059 0.111 0.000 0.894 525 L HN 0.255 nan 8.230 nan 0.000 0.432 526 D N -0.024 120.369 120.400 -0.012 0.000 2.123 526 D HA -0.200 4.440 4.640 0.000 0.000 0.196 526 D C 1.758 177.987 176.300 -0.119 0.000 0.992 526 D CA 1.332 55.326 54.000 -0.010 0.000 0.833 526 D CB -0.247 40.605 40.800 0.087 0.000 0.954 526 D HN 0.303 nan 8.370 nan 0.000 0.455 527 D N 0.079 120.424 120.400 -0.093 0.000 2.144 527 D HA -0.118 4.522 4.640 0.000 0.000 0.199 527 D C 2.150 178.361 176.300 -0.149 0.000 0.984 527 D CA 0.264 54.205 54.000 -0.098 0.000 0.834 527 D CB -0.310 40.450 40.800 -0.067 0.000 0.955 527 D HN 0.135 nan 8.370 nan 0.000 0.465 528 L N 1.036 122.145 121.223 -0.189 0.000 2.027 528 L HA -0.046 4.294 4.340 0.000 0.000 0.206 528 L C 2.191 178.863 176.870 -0.331 0.000 1.074 528 L CA 1.693 56.402 54.840 -0.219 0.000 0.745 528 L CB -0.909 41.027 42.059 -0.205 0.000 0.898 528 L HN -0.016 nan 8.230 nan 0.000 0.433 529 A N -0.811 121.673 122.820 -0.561 0.000 1.958 529 A HA -0.290 4.030 4.320 0.000 0.000 0.221 529 A C 2.152 179.448 177.584 -0.480 0.000 1.178 529 A CA 2.090 53.606 52.037 -0.868 0.000 0.642 529 A CB -0.710 17.261 19.000 -1.715 0.000 0.816 529 A HN 0.636 nan 8.150 nan 0.000 0.453 530 E N -1.101 118.924 120.200 -0.292 0.000 2.058 530 E HA -0.254 4.096 4.350 0.000 0.000 0.194 530 E C 2.343 178.866 176.600 -0.129 0.000 0.997 530 E CA 1.511 57.819 56.400 -0.154 0.000 0.801 530 E CB -0.182 29.459 29.700 -0.098 0.000 0.746 530 E HN 0.670 nan 8.360 nan 0.000 0.450 531 R N 0.669 121.087 120.500 -0.136 0.000 2.073 531 R HA -0.101 4.239 4.340 0.000 0.000 0.229 531 R C 2.127 178.368 176.300 -0.099 0.000 1.120 531 R CA 1.622 57.662 56.100 -0.099 0.000 0.967 531 R CB 0.259 30.506 30.300 -0.088 0.000 0.862 531 R HN 0.223 nan 8.270 nan 0.000 0.436 532 V N -3.890 115.940 119.914 -0.140 0.000 3.451 532 V HA 0.505 4.625 4.120 0.000 0.000 0.288 532 V C 0.419 176.440 176.094 -0.122 0.000 1.502 532 V CA 0.172 62.404 62.300 -0.113 0.000 1.026 532 V CB 0.250 32.009 31.823 -0.107 0.000 0.840 532 V HN 0.479 nan 8.190 nan 0.000 0.437 533 G N -0.030 108.654 108.800 -0.194 0.000 2.757 533 G HA2 -0.233 3.727 3.960 0.000 0.000 0.638 533 G HA3 -0.233 3.727 3.960 0.000 0.000 0.638 533 G C -0.835 173.913 174.900 -0.254 0.000 1.344 533 G CA -0.260 44.739 45.100 -0.169 0.000 0.855 533 G HN 0.585 nan 8.290 nan 0.000 0.537 534 W N 1.939 123.242 121.300 0.005 0.000 1.664 534 W HA 0.537 5.197 4.660 0.000 0.000 0.428 534 W C 1.440 177.979 176.519 0.035 0.000 0.726 534 W CA -0.727 56.620 57.345 0.005 0.000 1.774 534 W CB 0.223 29.678 29.460 -0.008 0.000 1.801 534 W HN 0.461 nan 8.180 nan 0.000 0.243 535 R N 1.836 122.429 120.500 0.155 0.000 2.738 535 R HA -0.023 4.317 4.340 0.000 0.000 0.268 535 R C 1.741 178.170 176.300 0.215 0.000 1.062 535 R CA -0.299 55.891 56.100 0.151 0.000 1.158 535 R CB 0.430 30.745 30.300 0.024 0.000 1.046 535 R HN 0.624 nan 8.270 nan 0.000 0.493 536 W N 2.989 124.388 121.300 0.166 0.000 2.325 536 W HA -0.260 4.400 4.660 0.000 0.000 0.299 536 W C 0.846 177.510 176.519 0.241 0.000 1.215 536 W CA 1.057 58.528 57.345 0.210 0.000 1.244 536 W CB -0.357 29.244 29.460 0.236 0.000 1.140 536 W HN 0.509 nan 8.180 nan 0.000 0.523 537 R N 0.518 120.628 120.500 -0.650 0.000 2.092 537 R HA -0.109 4.231 4.340 0.000 0.000 0.231 537 R C 2.433 178.710 176.300 -0.038 0.000 1.119 537 R CA 1.656 57.328 56.100 -0.714 0.000 0.970 537 R CB -0.516 29.254 30.300 -0.884 0.000 0.864 537 R HN 0.192 nan 8.270 nan 0.000 0.440 538 L N -0.200 121.067 121.223 0.073 0.000 2.093 538 L HA -0.138 4.202 4.340 0.000 0.000 0.208 538 L C 2.240 179.347 176.870 0.396 0.000 1.085 538 L CA 1.181 56.176 54.840 0.258 0.000 0.755 538 L CB -0.362 41.777 42.059 0.133 0.000 0.904 538 L HN -0.048 nan 8.230 nan 0.000 0.435 539 V N -1.098 119.025 119.914 0.348 0.000 2.407 539 V HA -0.304 3.816 4.120 0.000 0.000 0.248 539 V C 2.072 178.241 176.094 0.125 0.000 1.055 539 V CA 1.686 64.083 62.300 0.162 0.000 1.049 539 V CB -0.719 31.224 31.823 0.199 0.000 0.662 539 V HN 0.657 nan 8.190 nan 0.000 0.455 540 W N 0.528 121.890 121.300 0.103 0.000 2.353 540 W HA -0.249 4.411 4.660 -0.000 0.000 0.319 540 W C 2.473 178.973 176.519 -0.031 0.000 1.207 540 W CA 1.921 59.313 57.345 0.079 0.000 1.291 540 W CB -0.748 28.791 29.460 0.132 0.000 1.159 540 W HN 0.329 nan 8.180 nan 0.000 0.478 541 Y N 0.830 121.243 120.300 0.189 0.000 2.315 541 Y HA -0.198 4.352 4.550 0.000 0.000 0.288 541 Y C 2.840 178.695 175.900 -0.075 0.000 1.154 541 Y CA 2.252 60.384 58.100 0.053 0.000 1.229 541 Y CB -1.209 37.336 38.460 0.142 0.000 0.980 541 Y HN 0.049 nan 8.280 nan 0.000 0.540 542 R N 0.173 120.709 120.500 0.060 0.000 2.066 542 R HA -0.146 4.194 4.340 0.000 0.000 0.232 542 R C 2.421 178.583 176.300 -0.230 0.000 1.131 542 R CA 1.215 57.264 56.100 -0.085 0.000 0.955 542 R CB -0.403 29.749 30.300 -0.247 0.000 0.851 542 R HN 0.273 nan 8.270 nan 0.000 0.432 543 A N 0.394 122.950 122.820 -0.441 0.000 1.883 543 A HA -0.143 4.177 4.320 0.000 0.000 0.217 543 A C 2.273 179.455 177.584 -0.670 0.000 1.186 543 A CA 1.804 53.362 52.037 -0.799 0.000 0.624 543 A CB -0.760 17.143 19.000 -1.829 0.000 0.822 543 A HN 0.233 nan 8.150 nan 0.000 0.444 544 V N -0.072 119.537 119.914 -0.509 0.000 2.252 544 V HA -0.323 3.797 4.120 0.000 0.000 0.249 544 V C 3.093 179.167 176.094 -0.033 0.000 1.056 544 V CA 2.235 64.472 62.300 -0.106 0.000 1.022 544 V CB -1.426 30.400 31.823 0.005 0.000 0.641 544 V HN 0.657 nan 8.190 nan 0.000 0.445 545 A N -0.445 122.357 122.820 -0.030 0.000 1.892 545 A HA -0.320 4.000 4.320 0.000 0.000 0.218 545 A C 2.142 179.704 177.584 -0.037 0.000 1.188 545 A CA 2.325 54.354 52.037 -0.013 0.000 0.631 545 A CB -0.616 18.383 19.000 -0.002 0.000 0.822 545 A HN 0.674 nan 8.150 nan 0.000 0.447 546 E N -0.993 119.164 120.200 -0.072 0.000 2.204 546 E HA -0.125 4.225 4.350 0.000 0.000 0.194 546 E C 1.812 178.373 176.600 -0.065 0.000 0.989 546 E CA 0.741 57.093 56.400 -0.081 0.000 0.824 546 E CB -0.187 29.463 29.700 -0.083 0.000 0.756 546 E HN 0.455 nan 8.360 nan 0.000 0.477 547 L N 0.694 121.926 121.223 0.015 0.000 2.046 547 L HA -0.188 4.152 4.340 0.000 0.000 0.208 547 L C 2.012 178.939 176.870 0.095 0.000 1.077 547 L CA 1.536 56.464 54.840 0.146 0.000 0.747 547 L CB -0.261 41.897 42.059 0.166 0.000 0.896 547 L HN 0.173 nan 8.230 nan 0.000 0.432 548 L N -1.338 119.904 121.223 0.031 0.000 2.056 548 L HA -0.171 4.169 4.340 0.000 0.000 0.207 548 L C 2.304 179.158 176.870 -0.027 0.000 1.078 548 L CA 1.716 56.566 54.840 0.016 0.000 0.749 548 L CB -0.908 41.159 42.059 0.013 0.000 0.901 548 L HN 0.458 nan 8.230 nan 0.000 0.433 549 T N -3.621 110.893 114.554 -0.067 0.000 3.113 549 T HA 0.143 4.493 4.350 0.000 0.000 0.256 549 T C 1.386 175.977 174.700 -0.182 0.000 1.131 549 T CA 0.569 62.611 62.100 -0.096 0.000 1.074 549 T CB 0.348 69.167 68.868 -0.082 0.000 0.944 549 T HN 0.506 nan 8.240 nan 0.000 0.516 550 G N 1.330 109.943 108.800 -0.312 0.000 2.141 550 G HA2 -0.209 3.751 3.960 0.000 0.000 0.231 550 G HA3 -0.209 3.751 3.960 0.000 0.000 0.231 550 G C -0.115 174.255 174.900 -0.884 0.000 0.984 550 G CA 0.015 44.709 45.100 -0.678 0.000 0.660 550 G HN 0.652 nan 8.290 nan 0.000 0.525 551 D N 0.223 120.300 120.400 -0.538 0.000 2.631 551 D HA 0.435 5.075 4.640 0.000 0.000 0.227 551 D C 1.323 177.467 176.300 -0.260 0.000 1.146 551 D CA -0.866 52.926 54.000 -0.346 0.000 1.009 551 D CB -0.303 40.385 40.800 -0.186 0.000 1.057 551 D HN 0.317 nan 8.370 nan 0.000 0.509 552 Y N 0.440 120.724 120.300 -0.027 0.000 2.293 552 Y HA -0.080 4.470 4.550 -0.000 0.000 0.291 552 Y C 1.941 177.821 175.900 -0.033 0.000 1.137 552 Y CA 0.394 58.484 58.100 -0.017 0.000 1.202 552 Y CB -0.240 38.220 38.460 0.000 0.000 0.990 552 Y HN 0.248 nan 8.280 nan 0.000 0.537 553 D N -0.194 120.247 120.400 0.068 0.000 2.106 553 D HA -0.172 4.468 4.640 0.000 0.000 0.191 553 D C 2.256 178.502 176.300 -0.090 0.000 0.997 553 D CA 1.969 55.968 54.000 -0.002 0.000 0.834 553 D CB -0.412 40.372 40.800 -0.027 0.000 0.956 553 D HN 0.223 nan 8.370 nan 0.000 0.448 554 S N 0.472 116.086 115.700 -0.144 0.000 2.368 554 S HA -0.133 4.337 4.470 0.000 0.000 0.225 554 S C 2.104 176.505 174.600 -0.330 0.000 1.030 554 S CA 1.141 59.161 58.200 -0.300 0.000 0.999 554 S CB -0.304 62.792 63.200 -0.172 0.000 0.844 554 S HN 0.387 nan 8.310 nan 0.000 0.459 555 A N 1.494 124.236 122.820 -0.130 0.000 1.877 555 A HA -0.133 4.188 4.320 0.000 0.000 0.216 555 A C 2.353 179.899 177.584 -0.064 0.000 1.186 555 A CA 2.118 54.071 52.037 -0.140 0.000 0.620 555 A CB -1.418 17.610 19.000 0.047 0.000 0.822 555 A HN 0.468 nan 8.150 nan 0.000 0.443 556 T N -0.493 114.092 114.554 0.053 0.000 2.788 556 T HA -0.137 4.213 4.350 0.000 0.000 0.268 556 T C 1.956 176.665 174.700 0.015 0.000 1.044 556 T CA 1.685 63.847 62.100 0.104 0.000 1.139 556 T CB -0.175 68.753 68.868 0.101 0.000 0.867 556 T HN 0.641 nan 8.240 nan 0.000 0.454 557 K N 0.199 120.516 120.400 -0.139 0.000 2.026 557 K HA -0.168 4.152 4.320 0.000 0.000 0.208 557 K C 2.022 178.525 176.600 -0.162 0.000 1.048 557 K CA 1.656 57.814 56.287 -0.214 0.000 0.929 557 K CB -0.143 32.103 32.500 -0.423 0.000 0.713 557 K HN 0.563 nan 8.250 nan 0.000 0.439 558 H N -1.497 117.515 119.070 -0.097 0.000 2.372 558 H HA -0.006 4.550 4.556 0.000 0.000 0.301 558 H C 1.842 177.147 175.328 -0.039 0.000 1.065 558 H CA 1.204 57.176 56.048 -0.128 0.000 1.364 558 H CB 0.019 29.618 29.762 -0.271 0.000 1.406 558 H HN 0.102 nan 8.280 nan 0.000 0.521 559 F N 0.910 120.917 119.950 0.094 0.000 2.202 559 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 559 F C 2.466 178.318 175.800 0.086 0.000 1.082 559 F CA 1.314 59.354 58.000 0.066 0.000 1.313 559 F CB -0.827 38.124 39.000 -0.082 0.000 1.024 559 F HN 0.100 nan 8.300 nan 0.000 0.495 560 T N -0.919 113.760 114.554 0.208 0.000 2.821 560 T HA -0.144 4.206 4.350 0.000 0.000 0.267 560 T C 1.791 176.559 174.700 0.112 0.000 1.046 560 T CA 1.289 63.459 62.100 0.117 0.000 1.139 560 T CB -0.239 68.674 68.868 0.075 0.000 0.871 560 T HN 0.316 nan 8.240 nan 0.000 0.454 561 E N 0.491 120.770 120.200 0.131 0.000 2.110 561 E HA -0.093 4.257 4.350 0.000 0.000 0.193 561 E C 2.242 178.927 176.600 0.142 0.000 0.988 561 E CA 0.894 57.365 56.400 0.118 0.000 0.804 561 E CB -0.135 29.653 29.700 0.146 0.000 0.745 561 E HN 0.281 nan 8.360 nan 0.000 0.458 562 V N 1.050 121.129 119.914 0.276 0.000 2.407 562 V HA -0.191 3.929 4.120 0.000 0.000 0.245 562 V C 2.187 178.437 176.094 0.260 0.000 1.041 562 V CA 1.029 63.552 62.300 0.372 0.000 1.040 562 V CB -0.298 31.967 31.823 0.736 0.000 0.671 562 V HN 0.219 nan 8.190 nan 0.000 0.455 563 L N 0.592 121.945 121.223 0.217 0.000 2.046 563 L HA -0.161 4.179 4.340 0.000 0.000 0.208 563 L C 2.039 178.942 176.870 0.055 0.000 1.077 563 L CA 2.056 56.970 54.840 0.124 0.000 0.747 563 L CB -0.928 41.150 42.059 0.033 0.000 0.896 563 L HN 0.285 nan 8.230 nan 0.000 0.432 564 D N -1.224 119.183 120.400 0.013 0.000 2.219 564 D HA -0.130 4.510 4.640 0.000 0.000 0.205 564 D C 1.985 178.183 176.300 -0.170 0.000 0.970 564 D CA 1.609 55.578 54.000 -0.051 0.000 0.851 564 D CB -0.028 40.744 40.800 -0.046 0.000 0.943 564 D HN 0.410 nan 8.370 nan 0.000 0.488 565 T N -0.327 114.070 114.554 -0.262 0.000 2.896 565 T HA -0.042 4.308 4.350 0.000 0.000 0.263 565 T C 0.562 174.782 174.700 -0.799 0.000 1.050 565 T CA 0.631 62.350 62.100 -0.635 0.000 1.140 565 T CB 0.020 68.384 68.868 -0.841 0.000 0.877 565 T HN 0.037 nan 8.240 nan 0.000 0.457 566 F N 1.354 121.257 119.950 -0.078 0.000 2.523 566 F HA 0.350 4.877 4.527 0.000 0.000 0.322 566 F C -2.027 173.803 175.800 0.050 0.000 1.361 566 F CA -2.773 55.218 58.000 -0.015 0.000 1.151 566 F CB 1.352 40.290 39.000 -0.103 0.000 1.391 566 F HN -0.050 nan 8.300 nan 0.000 0.566 567 P HA -0.024 nan 4.420 nan 0.000 0.230 567 P C 1.346 178.739 177.300 0.156 0.000 1.158 567 P CA 0.862 64.057 63.100 0.157 0.000 0.769 567 P CB 0.358 32.147 31.700 0.148 0.000 0.807 568 G N -0.460 108.442 108.800 0.169 0.000 3.371 568 G HA2 0.045 4.005 3.960 0.000 0.000 0.248 568 G HA3 0.045 4.005 3.960 0.000 0.000 0.248 568 G C 0.230 175.187 174.900 0.095 0.000 1.161 568 G CA -0.053 45.118 45.100 0.118 0.000 0.796 568 G HN 0.092 nan 8.290 nan 0.000 0.539 569 E N 0.038 120.299 120.200 0.102 0.000 2.191 569 E HA 0.381 4.731 4.350 0.000 0.000 0.274 569 E C 0.750 177.329 176.600 -0.035 0.000 0.948 569 E CA -0.630 55.797 56.400 0.046 0.000 0.802 569 E CB 2.260 32.018 29.700 0.098 0.000 1.137 569 E HN 0.018 nan 8.360 nan 0.000 0.397 570 L N 1.139 122.321 121.223 -0.070 0.000 2.249 570 L HA -0.003 4.337 4.340 0.000 0.000 0.207 570 L C 2.159 178.926 176.870 -0.172 0.000 1.090 570 L CA 0.800 55.598 54.840 -0.070 0.000 0.802 570 L CB -0.274 41.780 42.059 -0.009 0.000 0.947 570 L HN 0.576 nan 8.230 nan 0.000 0.453 571 A N 1.435 124.047 122.820 -0.346 0.000 1.869 571 A HA -0.182 4.138 4.320 0.000 0.000 0.218 571 A C -0.151 177.228 177.584 -0.340 0.000 1.203 571 A CA 2.089 53.834 52.037 -0.487 0.000 0.638 571 A CB -1.958 16.329 19.000 -1.189 0.000 0.831 571 A HN 0.267 nan 8.150 nan 0.000 0.450 572 P HA -0.107 nan 4.420 nan 0.000 0.220 572 P C 1.116 178.202 177.300 -0.357 0.000 1.148 572 P CA 1.339 64.390 63.100 -0.081 0.000 0.803 572 P CB -0.036 31.719 31.700 0.092 0.000 0.782 573 K N -0.858 119.306 120.400 -0.394 0.000 2.057 573 K HA -0.097 4.223 4.320 0.000 0.000 0.206 573 K C 1.930 178.274 176.600 -0.426 0.000 1.050 573 K CA 0.953 56.871 56.287 -0.616 0.000 0.935 573 K CB -0.903 31.442 32.500 -0.259 0.000 0.715 573 K HN 0.075 nan 8.250 nan 0.000 0.439 574 L N 1.396 122.491 121.223 -0.213 0.000 2.017 574 L HA -0.124 4.216 4.340 0.000 0.000 0.208 574 L C 2.245 178.995 176.870 -0.200 0.000 1.073 574 L CA 1.782 56.579 54.840 -0.073 0.000 0.745 574 L CB -0.745 41.371 42.059 0.095 0.000 0.894 574 L HN 0.132 nan 8.230 nan 0.000 0.432 575 A N -0.871 121.717 122.820 -0.387 0.000 1.933 575 A HA -0.173 4.147 4.320 0.000 0.000 0.218 575 A C 2.275 179.426 177.584 -0.722 0.000 1.175 575 A CA 1.968 53.553 52.037 -0.753 0.000 0.628 575 A CB -0.815 17.283 19.000 -1.504 0.000 0.814 575 A HN 0.496 nan 8.150 nan 0.000 0.444 576 L N -1.031 119.831 121.223 -0.602 0.000 2.109 576 L HA -0.108 4.232 4.340 0.000 0.000 0.207 576 L C 3.043 179.787 176.870 -0.211 0.000 1.086 576 L CA 0.888 55.507 54.840 -0.368 0.000 0.760 576 L CB -0.391 41.356 42.059 -0.521 0.000 0.910 576 L HN 0.414 nan 8.230 nan 0.000 0.437 577 A N -0.082 122.547 122.820 -0.317 0.000 1.933 577 A HA -0.154 4.166 4.320 0.000 0.000 0.218 577 A C 2.495 179.811 177.584 -0.447 0.000 1.175 577 A CA 1.660 53.377 52.037 -0.534 0.000 0.628 577 A CB -0.635 17.592 19.000 -1.288 0.000 0.814 577 A HN 0.392 nan 8.150 nan 0.000 0.444 578 A N -0.931 121.719 122.820 -0.284 0.000 1.898 578 A HA -0.048 4.272 4.320 0.000 0.000 0.216 578 A C 2.301 179.776 177.584 -0.181 0.000 1.181 578 A CA 2.191 54.144 52.037 -0.141 0.000 0.620 578 A CB -1.236 17.541 19.000 -0.372 0.000 0.819 578 A HN 0.422 nan 8.150 nan 0.000 0.442 579 T N 0.577 115.017 114.554 -0.190 0.000 2.684 579 T HA -0.081 4.269 4.350 0.000 0.000 0.267 579 T C 2.231 176.808 174.700 -0.206 0.000 1.036 579 T CA 1.747 63.756 62.100 -0.152 0.000 1.148 579 T CB -0.540 68.350 68.868 0.037 0.000 0.863 579 T HN 0.601 nan 8.240 nan 0.000 0.436 580 A N 1.300 124.059 122.820 -0.102 0.000 1.940 580 A HA -0.173 4.147 4.320 0.000 0.000 0.219 580 A C 2.246 179.779 177.584 -0.086 0.000 1.176 580 A CA 1.746 53.745 52.037 -0.063 0.000 0.631 580 A CB -0.576 18.427 19.000 0.006 0.000 0.814 580 A HN 0.555 nan 8.150 nan 0.000 0.446 581 E N -0.297 119.868 120.200 -0.058 0.000 2.017 581 E HA -0.156 4.194 4.350 0.000 0.000 0.193 581 E C 2.011 178.529 176.600 -0.136 0.000 0.997 581 E CA 1.178 57.568 56.400 -0.017 0.000 0.804 581 E CB -0.282 29.482 29.700 0.107 0.000 0.757 581 E HN 0.613 nan 8.360 nan 0.000 0.448 582 L N 0.366 121.430 121.223 -0.266 0.000 2.089 582 L HA -0.256 4.084 4.340 0.000 0.000 0.213 582 L C 2.491 178.996 176.870 -0.609 0.000 1.079 582 L CA 1.226 55.791 54.840 -0.457 0.000 0.758 582 L CB -0.503 41.136 42.059 -0.699 0.000 0.891 582 L HN 0.195 nan 8.230 nan 0.000 0.433 583 A N -0.583 121.861 122.820 -0.627 0.000 2.066 583 A HA 0.134 4.454 4.320 0.000 0.000 0.218 583 A C 1.748 179.282 177.584 -0.083 0.000 1.157 583 A CA 0.938 52.798 52.037 -0.295 0.000 0.670 583 A CB -0.500 18.417 19.000 -0.138 0.000 0.804 583 A HN 0.562 nan 8.150 nan 0.000 0.453 584 G N -0.485 108.262 108.800 -0.089 0.000 2.198 584 G HA2 -0.220 3.740 3.960 0.000 0.000 0.257 584 G HA3 -0.220 3.740 3.960 0.000 0.000 0.257 584 G C -0.371 174.521 174.900 -0.013 0.000 1.042 584 G CA 0.214 45.295 45.100 -0.031 0.000 0.791 584 G HN 0.489 nan 8.290 nan 0.000 0.502 585 N N 0.073 118.763 118.700 -0.018 0.000 2.405 585 N HA 0.518 5.258 4.740 0.000 0.000 0.299 585 N C 0.155 175.668 175.510 0.004 0.000 1.075 585 N CA -0.224 52.825 53.050 -0.002 0.000 0.884 585 N CB 1.259 39.749 38.487 0.005 0.000 1.194 585 N HN 0.086 nan 8.380 nan 0.000 0.491 586 T N 0.624 115.178 114.554 -0.000 0.000 2.870 586 T HA -0.005 4.345 4.350 0.000 0.000 0.300 586 T C -0.000 174.692 174.700 -0.014 0.000 0.989 586 T CA 0.095 62.193 62.100 -0.003 0.000 1.139 586 T CB 0.230 69.089 68.868 -0.015 0.000 0.920 586 T HN 0.289 nan 8.240 nan 0.000 0.537 587 D N 2.598 122.994 120.400 -0.006 0.000 2.393 587 D HA 0.061 4.701 4.640 0.000 0.000 0.232 587 D C 1.421 177.649 176.300 -0.121 0.000 1.192 587 D CA -0.599 53.384 54.000 -0.030 0.000 0.882 587 D CB 0.665 41.472 40.800 0.011 0.000 1.038 587 D HN 0.703 nan 8.370 nan 0.000 0.499 588 E N 2.389 122.463 120.200 -0.209 0.000 2.204 588 E HA -0.252 4.098 4.350 0.000 0.000 0.195 588 E C 0.520 176.846 176.600 -0.455 0.000 0.990 588 E CA 1.200 57.402 56.400 -0.330 0.000 0.821 588 E CB -0.283 29.172 29.700 -0.409 0.000 0.750 588 E HN 0.631 nan 8.360 nan 0.000 0.477 589 H N 0.776 119.630 119.070 -0.361 0.000 2.548 589 H HA 0.230 4.786 4.556 0.000 0.000 0.265 589 H C -0.239 174.738 175.328 -0.586 0.000 0.969 589 H CA 0.300 55.981 56.048 -0.612 0.000 1.155 589 H CB 0.252 29.295 29.762 -1.199 0.000 1.394 589 H HN 0.016 nan 8.280 nan 0.000 0.570 590 K N 0.077 120.308 120.400 -0.283 0.000 3.451 590 K HA -0.230 4.090 4.320 0.000 0.000 0.273 590 K C -0.421 176.159 176.600 -0.034 0.000 0.944 590 K CA -0.001 56.225 56.287 -0.102 0.000 0.734 590 K CB -1.470 31.002 32.500 -0.047 0.000 1.437 590 K HN 0.258 nan 8.250 nan 0.000 0.454 591 F N -0.806 119.177 119.950 0.054 0.000 2.186 591 F HA -0.122 4.405 4.527 0.000 0.000 0.299 591 F C 2.180 178.021 175.800 0.069 0.000 1.090 591 F CA 1.052 59.063 58.000 0.019 0.000 1.307 591 F CB -0.368 38.583 39.000 -0.080 0.000 1.019 591 F HN 0.274 nan 8.300 nan 0.000 0.489 592 Y N 0.351 120.807 120.300 0.260 0.000 2.181 592 Y HA -0.260 4.290 4.550 -0.000 0.000 0.288 592 Y C 2.671 178.688 175.900 0.196 0.000 1.146 592 Y CA 1.577 59.791 58.100 0.189 0.000 1.164 592 Y CB -1.185 37.346 38.460 0.118 0.000 0.982 592 Y HN 0.147 nan 8.280 nan 0.000 0.515 593 Q N -0.491 119.502 119.800 0.322 0.000 2.061 593 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 593 Q C 1.973 178.112 176.000 0.231 0.000 0.984 593 Q CA 2.512 58.461 55.803 0.244 0.000 0.846 593 Q CB -0.143 28.684 28.738 0.149 0.000 0.902 593 Q HN 0.421 nan 8.270 nan 0.000 0.421 594 T N 0.171 114.852 114.554 0.212 0.000 2.708 594 T HA -0.124 4.226 4.350 0.000 0.000 0.266 594 T C 1.881 176.695 174.700 0.190 0.000 1.037 594 T CA 1.429 63.642 62.100 0.188 0.000 1.146 594 T CB -0.301 68.698 68.868 0.219 0.000 0.865 594 T HN 0.112 nan 8.240 nan 0.000 0.435 595 V N 0.580 120.639 119.914 0.241 0.000 2.287 595 V HA -0.170 3.950 4.120 0.000 0.000 0.248 595 V C 2.041 178.274 176.094 0.232 0.000 1.053 595 V CA 1.554 63.986 62.300 0.220 0.000 1.027 595 V CB -0.639 31.335 31.823 0.251 0.000 0.646 595 V HN 0.678 nan 8.190 nan 0.000 0.447 596 W N 0.647 122.004 121.300 0.095 0.000 2.418 596 W HA -0.161 4.499 4.660 -0.000 0.000 0.292 596 W C 2.502 179.043 176.519 0.037 0.000 1.213 596 W CA 1.465 58.842 57.345 0.053 0.000 1.283 596 W CB -0.062 29.418 29.460 0.033 0.000 1.119 596 W HN 0.333 nan 8.180 nan 0.000 0.542 597 S N 0.352 116.046 115.700 -0.009 0.000 2.383 597 S HA -0.190 4.280 4.470 0.000 0.000 0.229 597 S C 1.553 176.064 174.600 -0.148 0.000 1.030 597 S CA 2.182 60.319 58.200 -0.105 0.000 1.002 597 S CB -0.599 62.610 63.200 0.015 0.000 0.829 597 S HN 0.258 nan 8.310 nan 0.000 0.467 598 T N 1.002 115.508 114.554 -0.079 0.000 2.939 598 T HA 0.091 4.441 4.350 0.000 0.000 0.254 598 T C 0.796 175.432 174.700 -0.106 0.000 1.041 598 T CA 0.569 62.634 62.100 -0.059 0.000 1.142 598 T CB -0.075 68.798 68.868 0.008 0.000 0.874 598 T HN 0.203 nan 8.240 nan 0.000 0.452 599 N N 1.827 120.447 118.700 -0.135 0.000 2.609 599 N HA 0.077 4.817 4.740 0.000 0.000 0.268 599 N C -0.762 174.575 175.510 -0.288 0.000 1.106 599 N CA -0.280 52.685 53.050 -0.141 0.000 0.823 599 N CB 1.231 39.700 38.487 -0.031 0.000 1.263 599 N HN 0.154 nan 8.380 nan 0.000 0.533 600 D N 1.334 121.437 120.400 -0.496 0.000 2.358 600 D HA 0.004 4.644 4.640 0.000 0.000 0.241 600 D C 1.108 177.258 176.300 -0.249 0.000 1.094 600 D CA 0.002 53.458 54.000 -0.907 0.000 0.907 600 D CB -0.239 40.076 40.800 -0.808 0.000 0.893 600 D HN 0.599 nan 8.370 nan 0.000 0.528 601 G N -0.269 108.515 108.800 -0.026 0.000 2.986 601 G HA2 0.121 4.081 3.960 0.000 0.000 0.213 601 G HA3 0.121 4.081 3.960 0.000 0.000 0.213 601 G C 0.557 175.595 174.900 0.228 0.000 1.156 601 G CA -0.221 44.954 45.100 0.124 0.000 0.763 601 G HN 0.245 nan 8.290 nan 0.000 0.547 602 V N 2.311 122.402 119.914 0.294 0.000 2.174 602 V HA 0.232 4.352 4.120 0.000 0.000 0.259 602 V C 1.401 177.707 176.094 0.352 0.000 1.261 602 V CA -0.274 62.196 62.300 0.282 0.000 1.137 602 V CB 0.273 32.233 31.823 0.229 0.000 1.290 602 V HN 0.248 nan 8.190 nan 0.000 0.486 603 I N 1.311 122.028 120.570 0.245 0.000 2.361 603 I HA -0.179 3.991 4.170 0.000 0.000 0.251 603 I C 2.417 178.480 176.117 -0.090 0.000 1.133 603 I CA 1.239 62.601 61.300 0.104 0.000 1.413 603 I CB -0.005 38.117 38.000 0.203 0.000 1.073 603 I HN 0.528 nan 8.210 nan 0.000 0.424 604 S N 0.724 116.291 115.700 -0.222 0.000 2.402 604 S HA -0.225 4.245 4.470 0.000 0.000 0.233 604 S C 2.186 176.519 174.600 -0.445 0.000 1.030 604 S CA 1.373 59.227 58.200 -0.577 0.000 1.003 604 S CB -0.369 62.118 63.200 -1.189 0.000 0.813 604 S HN 0.591 nan 8.310 nan 0.000 0.477 605 A N 1.234 123.947 122.820 -0.180 0.000 1.970 605 A HA 0.372 4.692 4.320 0.000 0.000 0.216 605 A C 2.325 179.648 177.584 -0.435 0.000 1.170 605 A CA 1.216 53.215 52.037 -0.064 0.000 0.645 605 A CB -0.885 18.310 19.000 0.325 0.000 0.816 605 A HN 0.485 nan 8.150 nan 0.000 0.447 606 A N -0.509 121.797 122.820 -0.857 0.000 1.865 606 A HA -0.045 4.275 4.320 0.000 0.000 0.217 606 A C 1.943 178.961 177.584 -0.942 0.000 1.191 606 A CA 1.636 52.766 52.037 -1.511 0.000 0.623 606 A CB -0.829 16.925 19.000 -2.077 0.000 0.826 606 A HN 0.459 nan 8.150 nan 0.000 0.444 607 F N 0.212 119.774 119.950 -0.647 0.000 2.146 607 F HA 0.006 4.533 4.527 0.000 0.000 0.298 607 F C 2.700 178.191 175.800 -0.516 0.000 1.096 607 F CA 1.180 58.887 58.000 -0.489 0.000 1.275 607 F CB -0.844 37.910 39.000 -0.410 0.000 1.008 607 F HN 0.289 nan 8.300 nan 0.000 0.480 608 G N -0.112 108.342 108.800 -0.576 0.000 2.422 608 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 608 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 608 G C 1.610 176.010 174.900 -0.834 0.000 1.146 608 G CA 0.909 45.390 45.100 -1.033 0.000 0.769 608 G HN 0.307 nan 8.290 nan 0.000 0.547 609 L N 1.252 122.108 121.223 -0.612 0.000 2.072 609 L HA 0.280 4.620 4.340 0.000 0.000 0.205 609 L C 2.970 179.730 176.870 -0.184 0.000 1.079 609 L CA 2.087 56.795 54.840 -0.220 0.000 0.752 609 L CB -0.776 41.206 42.059 -0.128 0.000 0.906 609 L HN 0.194 nan 8.230 nan 0.000 0.436 610 A N -0.219 122.438 122.820 -0.272 0.000 1.902 610 A HA -0.201 4.119 4.320 0.000 0.000 0.217 610 A C 2.415 179.920 177.584 -0.131 0.000 1.181 610 A CA 1.696 53.610 52.037 -0.206 0.000 0.623 610 A CB -0.554 18.279 19.000 -0.279 0.000 0.818 610 A HN 0.512 nan 8.150 nan 0.000 0.443 611 R N -0.571 119.850 120.500 -0.132 0.000 2.083 611 R HA -0.134 4.206 4.340 0.000 0.000 0.237 611 R C 2.519 178.798 176.300 -0.036 0.000 1.137 611 R CA 1.300 57.358 56.100 -0.070 0.000 0.951 611 R CB -0.546 29.718 30.300 -0.059 0.000 0.851 611 R HN 0.522 nan 8.270 nan 0.000 0.434 612 A N 1.346 124.152 122.820 -0.024 0.000 1.908 612 A HA -0.203 4.117 4.320 0.000 0.000 0.218 612 A C 2.156 179.742 177.584 0.004 0.000 1.181 612 A CA 1.410 53.462 52.037 0.025 0.000 0.627 612 A CB -0.405 18.648 19.000 0.088 0.000 0.818 612 A HN 0.246 nan 8.150 nan 0.000 0.445 613 R N -0.737 119.752 120.500 -0.018 0.000 2.073 613 R HA -0.069 4.271 4.340 0.000 0.000 0.234 613 R C 2.625 178.913 176.300 -0.021 0.000 1.134 613 R CA 1.434 57.522 56.100 -0.020 0.000 0.952 613 R CB -0.478 29.803 30.300 -0.032 0.000 0.850 613 R HN 0.482 nan 8.270 nan 0.000 0.433 614 S N 0.554 116.236 115.700 -0.030 0.000 2.365 614 S HA -0.205 4.265 4.470 0.000 0.000 0.225 614 S C 2.048 176.641 174.600 -0.012 0.000 1.039 614 S CA 1.420 59.606 58.200 -0.023 0.000 1.033 614 S CB -0.259 62.923 63.200 -0.029 0.000 0.887 614 S HN 0.517 nan 8.310 nan 0.000 0.447 615 A N 0.606 123.421 122.820 -0.008 0.000 2.032 615 A HA -0.144 4.176 4.320 0.000 0.000 0.221 615 A C 1.728 179.312 177.584 -0.001 0.000 1.165 615 A CA 1.650 53.685 52.037 -0.002 0.000 0.645 615 A CB -0.338 18.664 19.000 0.004 0.000 0.807 615 A HN 0.617 nan 8.150 nan 0.000 0.453 616 E N -2.426 117.772 120.200 -0.002 0.000 2.501 616 E HA 0.357 4.707 4.350 0.000 0.000 0.201 616 E C 0.934 177.532 176.600 -0.003 0.000 1.016 616 E CA 0.300 56.699 56.400 -0.002 0.000 0.920 616 E CB 0.388 30.086 29.700 -0.003 0.000 1.023 616 E HN 0.680 nan 8.360 nan 0.000 0.474 617 G N 2.019 110.817 108.800 -0.003 0.000 2.176 617 G HA2 -0.245 3.715 3.960 0.000 0.000 0.232 617 G HA3 -0.245 3.715 3.960 0.000 0.000 0.232 617 G C 0.112 175.010 174.900 -0.003 0.000 0.986 617 G CA 0.086 45.185 45.100 -0.000 0.000 0.643 617 G HN 0.274 nan 8.290 nan 0.000 0.522 618 D N 0.448 120.843 120.400 -0.008 0.000 2.741 618 D HA 0.389 5.029 4.640 0.000 0.000 0.233 618 D C 1.858 178.147 176.300 -0.018 0.000 1.160 618 D CA -0.505 53.489 54.000 -0.010 0.000 1.003 618 D CB -0.095 40.699 40.800 -0.010 0.000 1.064 618 D HN 0.419 nan 8.370 nan 0.000 0.503 619 R N 0.298 120.789 120.500 -0.016 0.000 2.091 619 R HA -0.109 4.231 4.340 0.000 0.000 0.238 619 R C 1.878 178.161 176.300 -0.029 0.000 1.136 619 R CA 1.161 57.247 56.100 -0.024 0.000 0.959 619 R CB -0.076 30.214 30.300 -0.016 0.000 0.856 619 R HN 0.259 nan 8.270 nan 0.000 0.437 620 V N -0.054 119.848 119.914 -0.020 0.000 2.343 620 V HA -0.183 3.937 4.120 0.000 0.000 0.247 620 V C 2.386 178.466 176.094 -0.022 0.000 1.051 620 V CA 2.122 64.410 62.300 -0.019 0.000 1.036 620 V CB -0.997 30.819 31.823 -0.011 0.000 0.654 620 V HN 0.533 nan 8.190 nan 0.000 0.451 621 G N -0.544 108.243 108.800 -0.020 0.000 2.408 621 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 621 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 621 G C 1.752 176.628 174.900 -0.039 0.000 1.150 621 G CA 0.951 46.040 45.100 -0.019 0.000 0.776 621 G HN 0.605 nan 8.290 nan 0.000 0.542 622 A N 0.246 123.033 122.820 -0.055 0.000 1.902 622 A HA 0.085 4.405 4.320 0.000 0.000 0.217 622 A C 2.596 180.110 177.584 -0.117 0.000 1.181 622 A CA 1.746 53.727 52.037 -0.094 0.000 0.623 622 A CB -0.668 18.281 19.000 -0.085 0.000 0.818 622 A HN 0.229 nan 8.150 nan 0.000 0.443 623 V N 0.074 119.936 119.914 -0.087 0.000 2.295 623 V HA -0.277 3.843 4.120 0.000 0.000 0.246 623 V C 2.660 178.707 176.094 -0.078 0.000 1.049 623 V CA 2.359 64.606 62.300 -0.089 0.000 1.024 623 V CB -0.794 30.991 31.823 -0.062 0.000 0.648 623 V HN 0.674 nan 8.190 nan 0.000 0.447 624 R N -0.321 120.151 120.500 -0.046 0.000 2.105 624 R HA -0.189 4.151 4.340 0.000 0.000 0.239 624 R C 2.309 178.610 176.300 0.000 0.000 1.135 624 R CA 2.180 58.272 56.100 -0.014 0.000 0.967 624 R CB -0.440 29.862 30.300 0.003 0.000 0.861 624 R HN 0.560 nan 8.270 nan 0.000 0.442 625 T N 1.176 115.709 114.554 -0.036 0.000 2.777 625 T HA -0.088 4.262 4.350 0.000 0.000 0.266 625 T C 1.752 176.344 174.700 -0.179 0.000 1.040 625 T CA 1.291 63.358 62.100 -0.055 0.000 1.141 625 T CB -0.092 68.669 68.868 -0.178 0.000 0.868 625 T HN 0.179 nan 8.240 nan 0.000 0.444 626 L N 0.892 121.951 121.223 -0.273 0.000 2.141 626 L HA -0.072 4.268 4.340 0.000 0.000 0.209 626 L C 2.225 178.976 176.870 -0.199 0.000 1.094 626 L CA 0.945 55.561 54.840 -0.373 0.000 0.763 626 L CB -0.460 41.372 42.059 -0.379 0.000 0.908 626 L HN 0.124 nan 8.230 nan 0.000 0.437 627 D N 0.000 120.348 120.400 -0.087 0.000 2.310 627 D HA -0.143 4.497 4.640 0.000 0.000 0.212 627 D C 1.897 178.258 176.300 0.102 0.000 0.965 627 D CA 0.816 54.816 54.000 -0.000 0.000 0.879 627 D CB 0.047 40.854 40.800 0.011 0.000 0.921 627 D HN 0.426 nan 8.370 nan 0.000 0.510 628 E N 0.050 120.340 120.200 0.149 0.000 2.358 628 E HA -0.002 4.348 4.350 0.000 0.000 0.195 628 E C 0.327 177.165 176.600 0.397 0.000 1.010 628 E CA -0.028 56.539 56.400 0.279 0.000 0.856 628 E CB 0.538 30.489 29.700 0.418 0.000 0.795 628 E HN 0.009 nan 8.360 nan 0.000 0.504 629 V N 3.993 124.100 119.914 0.322 0.000 2.493 629 V HA -0.012 4.108 4.120 0.000 0.000 0.292 629 V C -2.098 174.225 176.094 0.381 0.000 1.016 629 V CA -0.922 61.580 62.300 0.338 0.000 1.097 629 V CB -0.018 31.858 31.823 0.089 0.000 0.947 629 V HN 0.033 nan 8.190 nan 0.000 0.479 630 P HA 0.214 nan 4.420 nan 0.000 0.271 630 P C -2.165 175.211 177.300 0.127 0.000 1.216 630 P CA -1.583 61.626 63.100 0.180 0.000 0.776 630 P CB 0.204 31.971 31.700 0.112 0.000 0.881 631 P HA -0.128 nan 4.420 nan 0.000 0.228 631 P C 1.186 178.341 177.300 -0.240 0.000 1.151 631 P CA 1.288 64.017 63.100 -0.617 0.000 0.770 631 P CB -0.476 30.786 31.700 -0.730 0.000 0.786 632 T N -4.942 109.555 114.554 -0.094 0.000 2.951 632 T HA -0.023 4.327 4.350 0.000 0.000 0.268 632 T C 1.129 175.826 174.700 -0.004 0.000 1.073 632 T CA 0.296 62.370 62.100 -0.044 0.000 1.134 632 T CB -0.725 68.132 68.868 -0.019 0.000 0.884 632 T HN 0.047 nan 8.240 nan 0.000 0.479 633 S N 0.502 116.235 115.700 0.054 0.000 2.565 633 S HA 0.255 4.725 4.470 0.000 0.000 0.276 633 S C 1.250 175.869 174.600 0.030 0.000 1.326 633 S CA -0.790 57.453 58.200 0.072 0.000 1.045 633 S CB 0.628 63.945 63.200 0.196 0.000 0.918 633 S HN 0.372 nan 8.310 nan 0.000 0.505 634 R N 1.836 122.258 120.500 -0.130 0.000 2.285 634 R HA -0.034 4.306 4.340 0.000 0.000 0.213 634 R C 0.570 176.769 176.300 -0.169 0.000 1.068 634 R CA 0.854 56.842 56.100 -0.186 0.000 1.004 634 R CB -0.226 29.892 30.300 -0.303 0.000 0.873 634 R HN 0.699 nan 8.270 nan 0.000 0.467 635 H N -1.571 117.588 119.070 0.148 0.000 2.551 635 H HA -0.011 4.545 4.556 -0.000 0.000 0.271 635 H C 1.277 176.740 175.328 0.224 0.000 0.984 635 H CA -0.116 56.027 56.048 0.159 0.000 1.164 635 H CB -0.084 29.778 29.762 0.167 0.000 1.437 635 H HN 0.172 nan 8.280 nan 0.000 0.550 636 F N 2.026 122.070 119.950 0.157 0.000 2.171 636 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 636 F C 1.970 177.831 175.800 0.101 0.000 1.090 636 F CA 1.311 59.381 58.000 0.117 0.000 1.293 636 F CB -0.021 39.020 39.000 0.069 0.000 1.013 636 F HN -0.073 nan 8.300 nan 0.000 0.486 637 T N -0.416 114.195 114.554 0.095 0.000 2.701 637 T HA -0.156 4.194 4.350 0.000 0.000 0.263 637 T C 1.858 176.536 174.700 -0.036 0.000 1.040 637 T CA 2.068 64.160 62.100 -0.015 0.000 1.147 637 T CB -0.616 68.303 68.868 0.084 0.000 0.865 637 T HN 0.299 nan 8.240 nan 0.000 0.426 638 T N 2.253 116.843 114.554 0.060 0.000 2.699 638 T HA -0.129 4.221 4.350 0.000 0.000 0.268 638 T C 2.327 177.125 174.700 0.163 0.000 1.036 638 T CA 1.282 63.432 62.100 0.084 0.000 1.147 638 T CB -0.578 68.334 68.868 0.073 0.000 0.862 638 T HN 0.429 nan 8.240 nan 0.000 0.446 639 A N 1.847 124.791 122.820 0.206 0.000 1.902 639 A HA -0.109 4.211 4.320 0.000 0.000 0.217 639 A C 2.438 179.916 177.584 -0.177 0.000 1.181 639 A CA 1.082 53.127 52.037 0.013 0.000 0.623 639 A CB -0.342 18.557 19.000 -0.169 0.000 0.818 639 A HN 0.267 nan 8.150 nan 0.000 0.443 640 R N -0.501 119.823 120.500 -0.294 0.000 2.090 640 R HA 0.048 4.388 4.340 0.000 0.000 0.228 640 R C 2.036 178.248 176.300 -0.147 0.000 1.110 640 R CA 0.970 56.894 56.100 -0.293 0.000 0.973 640 R CB -0.735 29.301 30.300 -0.441 0.000 0.869 640 R HN 0.561 nan 8.270 nan 0.000 0.440 641 L N 0.188 121.355 121.223 -0.093 0.000 2.093 641 L HA -0.124 4.216 4.340 0.000 0.000 0.208 641 L C 2.298 179.151 176.870 -0.028 0.000 1.085 641 L CA 1.385 56.197 54.840 -0.046 0.000 0.755 641 L CB -0.688 41.357 42.059 -0.023 0.000 0.904 641 L HN 0.144 nan 8.230 nan 0.000 0.435 642 T N -1.182 113.374 114.554 0.003 0.000 2.788 642 T HA -0.166 4.184 4.350 0.000 0.000 0.268 642 T C 2.183 176.860 174.700 -0.039 0.000 1.044 642 T CA 1.480 63.593 62.100 0.022 0.000 1.139 642 T CB -0.123 68.836 68.868 0.152 0.000 0.867 642 T HN 0.223 nan 8.240 nan 0.000 0.454 643 S N 1.275 116.926 115.700 -0.083 0.000 2.359 643 S HA -0.157 4.313 4.470 0.000 0.000 0.223 643 S C 2.570 177.129 174.600 -0.068 0.000 1.039 643 S CA 1.262 59.405 58.200 -0.095 0.000 1.042 643 S CB -0.669 62.462 63.200 -0.116 0.000 0.915 643 S HN 0.626 nan 8.310 nan 0.000 0.439 644 A N 0.882 123.665 122.820 -0.062 0.000 1.883 644 A HA -0.079 4.241 4.320 0.000 0.000 0.217 644 A C 2.360 179.917 177.584 -0.045 0.000 1.186 644 A CA 1.785 53.791 52.037 -0.053 0.000 0.624 644 A CB -1.022 17.949 19.000 -0.049 0.000 0.822 644 A HN 0.356 nan 8.150 nan 0.000 0.444 645 V N -0.178 119.715 119.914 -0.035 0.000 2.343 645 V HA -0.246 3.874 4.120 0.000 0.000 0.247 645 V C 2.724 178.803 176.094 -0.025 0.000 1.051 645 V CA 2.475 64.760 62.300 -0.024 0.000 1.036 645 V CB -1.352 30.464 31.823 -0.012 0.000 0.654 645 V HN 0.618 nan 8.190 nan 0.000 0.451 646 T N 0.399 114.935 114.554 -0.031 0.000 2.737 646 T HA -0.185 4.165 4.350 0.000 0.000 0.269 646 T C 1.785 176.465 174.700 -0.033 0.000 1.040 646 T CA 1.524 63.604 62.100 -0.034 0.000 1.142 646 T CB -0.333 68.504 68.868 -0.050 0.000 0.861 646 T HN 0.323 nan 8.240 nan 0.000 0.456 647 L N -0.007 121.192 121.223 -0.041 0.000 2.376 647 L HA 0.112 4.452 4.340 0.000 0.000 0.219 647 L C 1.795 178.639 176.870 -0.044 0.000 1.133 647 L CA 0.783 55.597 54.840 -0.043 0.000 0.816 647 L CB -0.199 41.828 42.059 -0.054 0.000 0.933 647 L HN 0.261 nan 8.230 nan 0.000 0.449 648 L N -2.166 119.035 121.223 -0.036 0.000 2.693 648 L HA 0.172 4.512 4.340 0.000 0.000 0.235 648 L C 0.947 177.819 176.870 0.004 0.000 1.127 648 L CA -0.228 54.596 54.840 -0.027 0.000 0.914 648 L CB 0.281 42.319 42.059 -0.035 0.000 1.193 648 L HN 0.042 nan 8.230 nan 0.000 0.502 656 V N 3.029 123.099 119.914 0.260 0.000 2.630 656 V HA 0.650 4.770 4.120 0.000 0.000 0.305 656 V C 0.393 176.673 176.094 0.309 0.000 1.046 656 V CA -0.093 62.329 62.300 0.203 0.000 0.934 656 V CB 1.775 33.653 31.823 0.092 0.000 1.003 656 V HN 0.873 nan 8.190 nan 0.000 0.451 657 T N -0.255 114.375 114.554 0.127 0.000 2.882 657 T HA 0.239 4.589 4.350 0.000 0.000 0.287 657 T C 1.035 175.680 174.700 -0.092 0.000 1.014 657 T CA -0.001 62.178 62.100 0.132 0.000 1.049 657 T CB 1.244 70.153 68.868 0.067 0.000 1.001 657 T HN 0.837 nan 8.240 nan 0.000 0.525 658 E N 0.173 120.349 120.200 -0.039 0.000 2.085 658 E HA -0.255 4.095 4.350 0.000 0.000 0.194 658 E C 1.774 178.263 176.600 -0.186 0.000 0.994 658 E CA 1.354 57.564 56.400 -0.317 0.000 0.801 658 E CB -0.107 29.511 29.700 -0.136 0.000 0.743 658 E HN 0.743 nan 8.360 nan 0.000 0.453 659 E N 0.615 120.765 120.200 -0.083 0.000 2.204 659 E HA -0.159 4.191 4.350 0.000 0.000 0.194 659 E C 1.860 178.430 176.600 -0.050 0.000 0.989 659 E CA 1.196 57.568 56.400 -0.046 0.000 0.824 659 E CB 0.000 29.688 29.700 -0.020 0.000 0.756 659 E HN 0.419 nan 8.360 nan 0.000 0.477 660 Q N -0.670 119.084 119.800 -0.076 0.000 2.187 660 Q HA 0.012 4.352 4.340 0.000 0.000 0.199 660 Q C 2.147 178.088 176.000 -0.099 0.000 0.957 660 Q CA 1.064 56.821 55.803 -0.075 0.000 0.857 660 Q CB 0.044 28.741 28.738 -0.069 0.000 0.929 660 Q HN 0.349 nan 8.270 nan 0.000 0.453 661 I N 0.445 120.922 120.570 -0.155 0.000 2.315 661 I HA -0.253 3.917 4.170 0.000 0.000 0.248 661 I C 2.174 178.261 176.117 -0.050 0.000 1.117 661 I CA 1.089 62.302 61.300 -0.144 0.000 1.404 661 I CB -0.152 37.708 38.000 -0.234 0.000 1.071 661 I HN 0.094 nan 8.210 nan 0.000 0.419 662 R N 0.293 120.801 120.500 0.013 0.000 2.092 662 R HA -0.175 4.165 4.340 0.000 0.000 0.231 662 R C 1.855 178.157 176.300 0.003 0.000 1.119 662 R CA 1.571 57.694 56.100 0.039 0.000 0.970 662 R CB -0.526 29.815 30.300 0.068 0.000 0.864 662 R HN 0.327 nan 8.270 nan 0.000 0.440 663 D N 0.895 121.286 120.400 -0.015 0.000 2.097 663 D HA -0.080 4.560 4.640 0.000 0.000 0.197 663 D C 1.878 178.160 176.300 -0.030 0.000 0.984 663 D CA 1.494 55.482 54.000 -0.020 0.000 0.826 663 D CB -0.067 40.718 40.800 -0.025 0.000 0.973 663 D HN 0.151 nan 8.370 nan 0.000 0.460 664 A N 0.935 123.729 122.820 -0.044 0.000 1.869 664 A HA -0.140 4.180 4.320 0.000 0.000 0.218 664 A C 2.450 180.009 177.584 -0.043 0.000 1.203 664 A CA 3.115 55.121 52.037 -0.051 0.000 0.638 664 A CB -1.347 17.613 19.000 -0.068 0.000 0.831 664 A HN 0.338 nan 8.150 nan 0.000 0.450 665 A N -0.807 121.988 122.820 -0.041 0.000 1.865 665 A HA -0.211 4.109 4.320 0.000 0.000 0.217 665 A C 2.266 179.843 177.584 -0.013 0.000 1.191 665 A CA 1.984 54.003 52.037 -0.030 0.000 0.623 665 A CB -0.593 18.390 19.000 -0.029 0.000 0.826 665 A HN 0.563 nan 8.150 nan 0.000 0.444 666 R N -0.656 119.841 120.500 -0.006 0.000 2.103 666 R HA -0.188 4.152 4.340 0.000 0.000 0.242 666 R C 2.459 178.756 176.300 -0.004 0.000 1.142 666 R CA 1.924 58.024 56.100 0.000 0.000 0.960 666 R CB -0.248 30.054 30.300 0.003 0.000 0.858 666 R HN 0.543 nan 8.270 nan 0.000 0.439 667 R N -0.644 119.847 120.500 -0.015 0.000 2.091 667 R HA -0.126 4.214 4.340 0.000 0.000 0.238 667 R C 2.217 178.504 176.300 -0.023 0.000 1.136 667 R CA 1.749 57.834 56.100 -0.024 0.000 0.959 667 R CB -0.169 30.105 30.300 -0.043 0.000 0.856 667 R HN 0.127 nan 8.270 nan 0.000 0.437 668 V N 0.546 120.448 119.914 -0.021 0.000 2.346 668 V HA -0.168 3.952 4.120 0.000 0.000 0.244 668 V C 1.803 177.896 176.094 -0.002 0.000 1.037 668 V CA 1.634 63.924 62.300 -0.016 0.000 1.029 668 V CB -0.431 31.381 31.823 -0.019 0.000 0.663 668 V HN 0.303 nan 8.190 nan 0.000 0.454 669 E N 0.652 120.853 120.200 0.001 0.000 2.187 669 E HA -0.262 4.088 4.350 0.000 0.000 0.199 669 E C 2.035 178.642 176.600 0.012 0.000 1.004 669 E CA 1.522 57.926 56.400 0.007 0.000 0.813 669 E CB -0.303 29.400 29.700 0.006 0.000 0.736 669 E HN 0.619 nan 8.360 nan 0.000 0.468 670 A N 0.103 122.932 122.820 0.014 0.000 2.238 670 A HA 0.121 4.441 4.320 0.000 0.000 0.208 670 A C 0.766 178.376 177.584 0.043 0.000 1.177 670 A CA 0.138 52.191 52.037 0.028 0.000 0.804 670 A CB 0.063 19.083 19.000 0.032 0.000 0.823 670 A HN 0.031 nan 8.150 nan 0.000 0.482 671 L N -0.485 120.758 121.223 0.033 0.000 2.358 671 L HA 0.374 4.714 4.340 0.000 0.000 0.268 671 L C -2.352 174.542 176.870 0.040 0.000 1.032 671 L CA -2.569 52.299 54.840 0.045 0.000 0.805 671 L CB 0.631 42.704 42.059 0.024 0.000 1.253 671 L HN -0.105 nan 8.230 nan 0.000 0.452 672 P HA -0.040 nan 4.420 nan 0.000 0.255 672 P C -1.975 175.340 177.300 0.025 0.000 1.173 672 P CA -0.566 62.556 63.100 0.037 0.000 0.780 672 P CB -0.020 31.706 31.700 0.043 0.000 0.758 673 P HA -0.163 nan 4.420 nan 0.000 0.220 673 P C 1.090 178.398 177.300 0.013 0.000 1.148 673 P CA 1.589 64.698 63.100 0.015 0.000 0.803 673 P CB -0.222 31.485 31.700 0.012 0.000 0.782 674 T N -3.479 111.083 114.554 0.013 0.000 3.054 674 T HA -0.007 4.343 4.350 0.000 0.000 0.259 674 T C 0.843 175.549 174.700 0.010 0.000 1.092 674 T CA -0.021 62.086 62.100 0.010 0.000 1.121 674 T CB -0.687 68.187 68.868 0.010 0.000 0.912 674 T HN 0.033 nan 8.240 nan 0.000 0.489 675 E N 3.312 123.520 120.200 0.013 0.000 2.415 675 E HA 0.152 4.502 4.350 0.000 0.000 0.260 675 E C -1.680 174.924 176.600 0.007 0.000 1.016 675 E CA -1.912 54.495 56.400 0.012 0.000 0.924 675 E CB 0.756 30.467 29.700 0.018 0.000 0.961 675 E HN 0.045 nan 8.360 nan 0.000 0.459 676 P HA -0.272 nan 4.420 nan 0.000 0.219 676 P C 0.812 178.109 177.300 -0.005 0.000 1.161 676 P CA 1.733 64.831 63.100 -0.002 0.000 0.909 676 P CB 0.124 31.822 31.700 -0.004 0.000 0.793 677 R N -0.750 119.748 120.500 -0.003 0.000 2.096 677 R HA -0.068 4.272 4.340 0.000 0.000 0.235 677 R C 2.156 178.453 176.300 -0.005 0.000 1.127 677 R CA 1.127 57.223 56.100 -0.006 0.000 0.968 677 R CB -1.209 29.089 30.300 -0.003 0.000 0.861 677 R HN 0.156 nan 8.270 nan 0.000 0.440 678 V N 1.792 121.705 119.914 -0.000 0.000 2.287 678 V HA -0.262 3.858 4.120 0.000 0.000 0.248 678 V C 2.403 178.495 176.094 -0.002 0.000 1.053 678 V CA 1.772 64.072 62.300 -0.000 0.000 1.027 678 V CB -0.451 31.377 31.823 0.007 0.000 0.646 678 V HN 0.277 nan 8.190 nan 0.000 0.447 679 L N -0.737 120.486 121.223 -0.001 0.000 2.093 679 L HA -0.217 4.123 4.340 0.000 0.000 0.208 679 L C 2.649 179.513 176.870 -0.009 0.000 1.085 679 L CA 1.496 56.336 54.840 -0.001 0.000 0.755 679 L CB -0.662 41.398 42.059 0.001 0.000 0.904 679 L HN 0.369 nan 8.230 nan 0.000 0.435 680 Q N -0.207 119.584 119.800 -0.014 0.000 2.124 680 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 680 Q C 2.224 178.210 176.000 -0.023 0.000 0.977 680 Q CA 1.156 56.946 55.803 -0.021 0.000 0.850 680 Q CB 0.066 28.790 28.738 -0.023 0.000 0.901 680 Q HN 0.435 nan 8.270 nan 0.000 0.429 681 I N 0.378 120.937 120.570 -0.019 0.000 2.500 681 I HA -0.154 4.016 4.170 0.000 0.000 0.252 681 I C 2.080 178.181 176.117 -0.026 0.000 1.142 681 I CA 1.077 62.364 61.300 -0.021 0.000 1.451 681 I CB -0.856 37.132 38.000 -0.020 0.000 1.093 681 I HN 0.200 nan 8.210 nan 0.000 0.430 682 R N 1.108 121.596 120.500 -0.020 0.000 2.113 682 R HA -0.206 4.134 4.340 0.000 0.000 0.244 682 R C 2.351 178.631 176.300 -0.033 0.000 1.142 682 R CA 1.951 58.040 56.100 -0.017 0.000 0.953 682 R CB -0.451 29.850 30.300 0.003 0.000 0.860 682 R HN 0.371 nan 8.270 nan 0.000 0.438 683 A N 0.836 123.633 122.820 -0.038 0.000 1.930 683 A HA -0.123 4.197 4.320 0.000 0.000 0.217 683 A C 2.068 179.617 177.584 -0.058 0.000 1.175 683 A CA 0.895 52.898 52.037 -0.057 0.000 0.627 683 A CB -0.368 18.600 19.000 -0.052 0.000 0.815 683 A HN 0.222 nan 8.150 nan 0.000 0.443 684 L N -0.166 121.031 121.223 -0.043 0.000 2.141 684 L HA -0.084 4.256 4.340 0.000 0.000 0.209 684 L C 2.347 179.188 176.870 -0.048 0.000 1.094 684 L CA 1.580 56.399 54.840 -0.036 0.000 0.763 684 L CB -0.332 41.714 42.059 -0.022 0.000 0.908 684 L HN 0.161 nan 8.230 nan 0.000 0.437 685 V N -0.682 119.196 119.914 -0.060 0.000 2.307 685 V HA -0.271 3.849 4.120 0.000 0.000 0.245 685 V C 2.450 178.470 176.094 -0.124 0.000 1.045 685 V CA 1.854 64.103 62.300 -0.085 0.000 1.024 685 V CB -0.463 31.312 31.823 -0.081 0.000 0.651 685 V HN 0.386 nan 8.190 nan 0.000 0.449 686 L N 0.418 121.567 121.223 -0.123 0.000 2.017 686 L HA -0.064 4.276 4.340 0.000 0.000 0.208 686 L C 2.700 179.492 176.870 -0.130 0.000 1.073 686 L CA 1.806 56.549 54.840 -0.161 0.000 0.745 686 L CB -1.245 40.717 42.059 -0.162 0.000 0.894 686 L HN 0.458 nan 8.230 nan 0.000 0.432 687 G N -0.283 108.462 108.800 -0.091 0.000 2.442 687 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 687 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 687 G C 1.569 176.456 174.900 -0.021 0.000 1.141 687 G CA 0.844 45.911 45.100 -0.055 0.000 0.763 687 G HN 0.500 nan 8.290 nan 0.000 0.554 688 G N 0.980 109.764 108.800 -0.026 0.000 2.404 688 G HA2 0.097 4.057 3.960 0.000 0.000 0.215 688 G HA3 0.097 4.057 3.960 0.000 0.000 0.215 688 G C 2.078 177.010 174.900 0.054 0.000 1.174 688 G CA 1.466 46.574 45.100 0.012 0.000 0.780 688 G HN 0.628 nan 8.290 nan 0.000 0.537 689 A N 0.685 123.483 122.820 -0.037 0.000 1.865 689 A HA -0.043 4.277 4.320 0.000 0.000 0.217 689 A C 2.387 180.081 177.584 0.184 0.000 1.191 689 A CA 1.844 53.871 52.037 -0.016 0.000 0.623 689 A CB -0.660 18.084 19.000 -0.428 0.000 0.826 689 A HN 0.463 nan 8.150 nan 0.000 0.444 690 L N 0.329 121.588 121.223 0.060 0.000 1.990 690 L HA -0.248 4.092 4.340 0.000 0.000 0.213 690 L C 2.054 179.009 176.870 0.142 0.000 1.072 690 L CA 2.980 57.876 54.840 0.092 0.000 0.755 690 L CB -0.745 41.323 42.059 0.016 0.000 0.889 690 L HN 0.545 nan 8.230 nan 0.000 0.432 691 D N -1.784 118.694 120.400 0.129 0.000 2.097 691 D HA -0.319 4.321 4.640 0.000 0.000 0.195 691 D C 1.941 178.348 176.300 0.179 0.000 0.989 691 D CA 1.615 55.690 54.000 0.125 0.000 0.827 691 D CB -0.471 40.390 40.800 0.101 0.000 0.966 691 D HN 0.519 nan 8.370 nan 0.000 0.456 692 W N 0.872 122.202 121.300 0.050 0.000 2.308 692 W HA -0.165 4.495 4.660 0.000 0.000 0.301 692 W C 1.628 178.198 176.519 0.084 0.000 1.220 692 W CA 1.279 58.667 57.345 0.072 0.000 1.240 692 W CB -0.275 29.247 29.460 0.105 0.000 1.142 692 W HN 0.047 nan 8.180 nan 0.000 0.521 693 L N 0.781 122.156 121.223 0.253 0.000 2.456 693 L HA -0.155 4.185 4.340 0.000 0.000 0.224 693 L C 2.197 179.028 176.870 -0.065 0.000 1.148 693 L CA 1.070 55.952 54.840 0.070 0.000 0.825 693 L CB -0.635 41.577 42.059 0.255 0.000 0.937 693 L HN 0.032 nan 8.230 nan 0.000 0.450 694 K N -0.322 120.047 120.400 -0.051 0.000 2.148 694 K HA -0.129 4.191 4.320 0.000 0.000 0.204 694 K C 1.072 177.598 176.600 -0.123 0.000 1.050 694 K CA 1.102 57.354 56.287 -0.059 0.000 0.942 694 K CB 0.107 32.592 32.500 -0.025 0.000 0.724 694 K HN 0.278 nan 8.250 nan 0.000 0.446 695 D N -0.510 119.757 120.400 -0.221 0.000 2.454 695 D HA 0.069 4.709 4.640 0.000 0.000 0.219 695 D C -0.118 175.956 176.300 -0.376 0.000 1.081 695 D CA 0.360 54.209 54.000 -0.251 0.000 0.867 695 D CB 0.360 41.027 40.800 -0.220 0.000 1.054 695 D HN 0.123 nan 8.370 nan 0.000 0.500 696 N N -0.065 118.261 118.700 -0.624 0.000 2.545 696 N HA 0.384 5.124 4.740 0.000 0.000 0.289 696 N C -0.636 174.539 175.510 -0.558 0.000 1.279 696 N CA -0.595 51.979 53.050 -0.793 0.000 0.824 696 N CB 2.003 39.476 38.487 -1.691 0.000 1.395 696 N HN -0.288 nan 8.380 nan 0.000 0.526 697 K N 0.305 120.478 120.400 -0.379 0.000 2.378 697 K HA 0.850 5.170 4.320 0.000 0.000 0.252 697 K C -1.396 175.183 176.600 -0.036 0.000 0.931 697 K CA -0.916 55.281 56.287 -0.150 0.000 0.794 697 K CB 2.347 34.788 32.500 -0.097 0.000 1.181 697 K HN 0.591 nan 8.250 nan 0.000 0.425 698 A N 1.077 123.880 122.820 -0.028 0.000 2.498 698 A HA 0.556 4.876 4.320 0.000 0.000 0.298 698 A C -0.375 177.110 177.584 -0.164 0.000 1.075 698 A CA -0.741 51.198 52.037 -0.163 0.000 0.714 698 A CB 1.347 19.974 19.000 -0.621 0.000 1.299 698 A HN 0.723 nan 8.150 nan 0.000 0.407 699 S N 0.097 115.689 115.700 -0.179 0.000 2.579 699 S HA 0.294 4.764 4.470 0.000 0.000 0.275 699 S C 1.116 175.673 174.600 -0.071 0.000 1.345 699 S CA 0.559 58.704 58.200 -0.093 0.000 1.031 699 S CB 0.693 63.856 63.200 -0.061 0.000 0.892 699 S HN 1.618 nan 8.310 nan 0.000 0.529 700 T N -0.876 113.678 114.554 -0.000 0.000 3.088 700 T HA 0.056 4.406 4.350 0.000 0.000 0.259 700 T C 0.629 175.349 174.700 0.035 0.000 1.122 700 T CA -0.192 61.930 62.100 0.038 0.000 1.095 700 T CB -0.875 68.004 68.868 0.018 0.000 0.930 700 T HN 0.663 nan 8.240 nan 0.000 0.508 701 N N 2.257 120.993 118.700 0.061 0.000 2.237 701 N HA -0.065 4.675 4.740 0.000 0.000 0.245 701 N C -0.644 174.955 175.510 0.149 0.000 1.239 701 N CA 0.551 53.672 53.050 0.119 0.000 0.842 701 N CB 0.206 38.771 38.487 0.130 0.000 1.089 701 N HN 0.500 nan 8.380 nan 0.000 0.454 702 H N 0.837 119.973 119.070 0.109 0.000 2.764 702 H HA 0.238 4.794 4.556 0.000 0.000 0.341 702 H C 0.219 175.604 175.328 0.095 0.000 1.072 702 H CA -0.042 56.063 56.048 0.097 0.000 1.444 702 H CB 0.321 30.096 29.762 0.023 0.000 1.458 702 H HN 0.354 nan 8.280 nan 0.000 0.572 703 I N 0.074 120.744 120.570 0.167 0.000 2.433 703 I HA 0.267 4.437 4.170 0.000 0.000 0.292 703 I C -0.067 176.107 176.117 0.096 0.000 1.001 703 I CA -1.122 60.226 61.300 0.080 0.000 1.119 703 I CB 1.612 39.575 38.000 -0.063 0.000 1.289 703 I HN 0.618 nan 8.210 nan 0.000 0.438 704 L N 5.419 126.685 121.223 0.072 0.000 3.781 704 L HA -0.300 4.040 4.340 0.000 0.000 0.426 704 L C 1.224 178.157 176.870 0.105 0.000 1.197 704 L CA 0.900 55.791 54.840 0.084 0.000 0.907 704 L CB -1.954 40.158 42.059 0.087 0.000 1.812 704 L HN 1.298 nan 8.230 nan 0.000 0.956 705 G N -2.248 106.552 108.800 0.001 0.000 2.194 705 G HA2 -0.296 3.664 3.960 0.000 0.000 0.236 705 G HA3 -0.296 3.664 3.960 0.000 0.000 0.236 705 G C -0.036 174.610 174.900 -0.424 0.000 0.987 705 G CA 0.146 45.091 45.100 -0.259 0.000 0.635 705 G HN 0.279 nan 8.290 nan 0.000 0.520 706 F N 1.022 121.060 119.950 0.146 0.000 2.546 706 F HA 0.614 5.141 4.527 -0.000 0.000 0.320 706 F C -2.226 173.565 175.800 -0.014 0.000 1.076 706 F CA -2.656 55.405 58.000 0.103 0.000 0.928 706 F CB 1.987 40.983 39.000 -0.006 0.000 1.189 706 F HN -0.232 nan 8.300 nan 0.000 0.465 707 P HA -0.090 nan 4.420 nan 0.000 0.264 707 P C -0.131 177.212 177.300 0.072 0.000 1.193 707 P CA 0.148 63.154 63.100 -0.157 0.000 0.763 707 P CB 0.187 31.832 31.700 -0.092 0.000 0.810 708 F N 4.417 124.344 119.950 -0.038 0.000 2.625 708 F HA 0.079 4.606 4.527 0.000 0.000 0.373 708 F C 0.651 176.483 175.800 0.055 0.000 1.158 708 F CA 0.249 58.267 58.000 0.029 0.000 1.354 708 F CB -1.200 37.819 39.000 0.031 0.000 1.692 708 F HN 0.152 nan 8.300 nan 0.000 0.634 709 T N -3.198 111.520 114.554 0.274 0.000 2.907 709 T HA 0.337 4.687 4.350 0.000 0.000 0.290 709 T C 1.200 176.004 174.700 0.174 0.000 1.066 709 T CA -0.122 62.111 62.100 0.220 0.000 1.012 709 T CB 1.348 70.312 68.868 0.160 0.000 1.184 709 T HN 0.089 nan 8.240 nan 0.000 0.522 710 S N -0.189 115.605 115.700 0.156 0.000 2.370 710 S HA -0.258 4.212 4.470 0.000 0.000 0.226 710 S C 1.746 176.413 174.600 0.111 0.000 1.033 710 S CA 1.324 59.596 58.200 0.119 0.000 1.011 710 S CB -1.149 62.112 63.200 0.102 0.000 0.852 710 S HN 0.857 nan 8.310 nan 0.000 0.457 711 H N 1.708 120.803 119.070 0.041 0.000 2.307 711 H HA 0.006 4.562 4.556 0.000 0.000 0.303 711 H C 2.464 177.806 175.328 0.024 0.000 1.073 711 H CA 1.479 57.544 56.048 0.028 0.000 1.338 711 H CB -0.807 28.976 29.762 0.035 0.000 1.389 711 H HN 0.502 nan 8.280 nan 0.000 0.503 712 G N 1.151 109.961 108.800 0.017 0.000 2.440 712 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 712 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 712 G C 1.958 176.800 174.900 -0.096 0.000 1.154 712 G CA 0.794 45.890 45.100 -0.006 0.000 0.767 712 G HN 0.337 nan 8.290 nan 0.000 0.552 713 L N -0.575 120.595 121.223 -0.089 0.000 2.093 713 L HA 0.030 4.370 4.340 0.000 0.000 0.208 713 L C 3.080 179.810 176.870 -0.234 0.000 1.085 713 L CA 0.693 55.431 54.840 -0.169 0.000 0.755 713 L CB -0.331 41.657 42.059 -0.119 0.000 0.904 713 L HN 0.125 nan 8.230 nan 0.000 0.435 714 R N 0.204 120.594 120.500 -0.183 0.000 2.083 714 R HA -0.174 4.166 4.340 0.000 0.000 0.237 714 R C 2.302 178.438 176.300 -0.274 0.000 1.137 714 R CA 1.518 57.507 56.100 -0.185 0.000 0.951 714 R CB -0.420 29.803 30.300 -0.128 0.000 0.851 714 R HN 0.276 nan 8.270 nan 0.000 0.434 715 L N -0.980 120.027 121.223 -0.359 0.000 2.083 715 L HA -0.106 4.234 4.340 0.000 0.000 0.209 715 L C 2.510 178.939 176.870 -0.734 0.000 1.083 715 L CA 1.386 55.988 54.840 -0.396 0.000 0.752 715 L CB -0.658 41.235 42.059 -0.276 0.000 0.899 715 L HN 0.398 nan 8.230 nan 0.000 0.433 716 G N -0.508 107.622 108.800 -1.117 0.000 2.402 716 G HA2 -0.157 3.803 3.960 0.000 0.000 0.216 716 G HA3 -0.157 3.803 3.960 0.000 0.000 0.216 716 G C 1.606 176.087 174.900 -0.699 0.000 1.162 716 G CA 0.741 44.834 45.100 -1.677 0.000 0.777 716 G HN 0.152 nan 8.290 nan 0.000 0.539 717 V N 0.728 120.389 119.914 -0.421 0.000 2.255 717 V HA -0.173 3.947 4.120 0.000 0.000 0.247 717 V C 2.738 178.713 176.094 -0.198 0.000 1.051 717 V CA 2.342 64.499 62.300 -0.238 0.000 1.018 717 V CB -0.395 31.328 31.823 -0.165 0.000 0.641 717 V HN 0.347 nan 8.190 nan 0.000 0.445 718 E N 0.399 120.476 120.200 -0.206 0.000 2.058 718 E HA -0.195 4.155 4.350 0.000 0.000 0.194 718 E C 2.158 178.692 176.600 -0.110 0.000 0.997 718 E CA 1.770 58.090 56.400 -0.134 0.000 0.801 718 E CB -0.576 29.054 29.700 -0.117 0.000 0.746 718 E HN 0.543 nan 8.360 nan 0.000 0.450 719 A N -0.523 122.209 122.820 -0.147 0.000 1.968 719 A HA -0.081 4.239 4.320 0.000 0.000 0.217 719 A C 2.354 179.927 177.584 -0.018 0.000 1.169 719 A CA 1.632 53.642 52.037 -0.045 0.000 0.638 719 A CB -0.369 18.662 19.000 0.052 0.000 0.812 719 A HN 0.236 nan 8.150 nan 0.000 0.446 720 S N -0.198 115.463 115.700 -0.066 0.000 2.387 720 S HA 0.026 4.496 4.470 0.000 0.000 0.226 720 S C 1.764 176.346 174.600 -0.031 0.000 1.026 720 S CA 1.017 59.201 58.200 -0.027 0.000 0.972 720 S CB -0.313 62.858 63.200 -0.048 0.000 0.814 720 S HN 0.506 nan 8.310 nan 0.000 0.477 721 L N 1.091 122.284 121.223 -0.049 0.000 2.109 721 L HA 0.001 4.341 4.340 0.000 0.000 0.207 721 L C 2.664 179.518 176.870 -0.027 0.000 1.086 721 L CA 1.030 55.845 54.840 -0.040 0.000 0.760 721 L CB -0.365 41.664 42.059 -0.049 0.000 0.910 721 L HN 0.241 nan 8.230 nan 0.000 0.437 722 R N 0.060 120.545 120.500 -0.024 0.000 2.105 722 R HA -0.160 4.180 4.340 0.000 0.000 0.239 722 R C 2.249 178.546 176.300 -0.005 0.000 1.135 722 R CA 1.752 57.844 56.100 -0.013 0.000 0.967 722 R CB -0.145 30.151 30.300 -0.007 0.000 0.861 722 R HN 0.188 nan 8.270 nan 0.000 0.442 723 S N 0.484 116.184 115.700 0.000 0.000 2.440 723 S HA -0.078 4.392 4.470 0.000 0.000 0.238 723 S C 1.321 175.920 174.600 -0.001 0.000 1.010 723 S CA 0.975 59.178 58.200 0.006 0.000 0.972 723 S CB -0.011 63.198 63.200 0.014 0.000 0.774 723 S HN 0.341 nan 8.310 nan 0.000 0.501 724 L N 0.625 121.843 121.223 -0.008 0.000 2.741 724 L HA 0.407 4.747 4.340 0.000 0.000 0.237 724 L C 0.925 177.787 176.870 -0.014 0.000 1.178 724 L CA -0.008 54.824 54.840 -0.012 0.000 0.973 724 L CB -0.244 41.804 42.059 -0.018 0.000 1.255 724 L HN 0.234 nan 8.230 nan 0.000 0.498 725 A N 0.522 123.335 122.820 -0.011 0.000 2.791 725 A HA -0.228 4.092 4.320 0.000 0.000 0.292 725 A C 0.382 177.956 177.584 -0.016 0.000 1.487 725 A CA 1.020 53.050 52.037 -0.012 0.000 0.760 725 A CB -1.676 17.318 19.000 -0.010 0.000 1.031 725 A HN 0.574 nan 8.150 nan 0.000 0.503 726 R N -1.997 118.491 120.500 -0.020 0.000 2.774 726 R HA 0.739 5.079 4.340 0.000 0.000 0.272 726 R C -0.779 175.505 176.300 -0.027 0.000 1.000 726 R CA -0.101 55.984 56.100 -0.025 0.000 0.906 726 R CB 2.542 32.824 30.300 -0.030 0.000 1.227 726 R HN 0.837 nan 8.270 nan 0.000 0.468 727 V N 1.354 121.251 119.914 -0.028 0.000 3.020 727 V HA 0.389 4.509 4.120 0.000 0.000 0.275 727 V C -0.839 175.237 176.094 -0.030 0.000 0.868 727 V CA -0.024 62.258 62.300 -0.031 0.000 1.087 727 V CB 1.121 32.928 31.823 -0.026 0.000 0.954 727 V HN 0.944 nan 8.190 nan 0.000 0.495 728 A N 4.736 127.535 122.820 -0.033 0.000 2.460 728 A HA 0.517 4.837 4.320 0.000 0.000 0.258 728 A C -0.533 177.033 177.584 -0.029 0.000 1.300 728 A CA -0.003 52.015 52.037 -0.032 0.000 0.913 728 A CB -0.360 18.617 19.000 -0.038 0.000 1.031 728 A HN 0.702 nan 8.150 nan 0.000 0.512 729 P HA -0.028 nan 4.420 nan 0.000 0.233 729 P C 0.797 178.087 177.300 -0.016 0.000 1.167 729 P CA 0.940 64.027 63.100 -0.022 0.000 0.770 729 P CB -0.180 31.506 31.700 -0.023 0.000 0.837 730 T N 0.680 115.221 114.554 -0.021 0.000 2.771 730 T HA 0.070 4.420 4.350 0.000 0.000 0.277 730 T C 0.593 175.270 174.700 -0.038 0.000 0.919 730 T CA -0.172 61.912 62.100 -0.026 0.000 1.163 730 T CB -0.180 68.670 68.868 -0.030 0.000 0.876 730 T HN 0.251 nan 8.240 nan 0.000 0.545 731 Q N 4.910 124.687 119.800 -0.037 0.000 3.065 731 Q HA 0.592 4.932 4.340 0.000 0.000 0.207 731 Q C -0.102 175.856 176.000 -0.070 0.000 1.165 731 Q CA -0.979 54.804 55.803 -0.033 0.000 0.371 731 Q CB 0.802 29.539 28.738 -0.002 0.000 5.665 731 Q HN 0.513 nan 8.270 nan 0.000 0.313 732 R N -0.707 119.766 120.500 -0.046 0.000 2.725 732 R HA 0.448 4.788 4.340 0.000 0.000 0.277 732 R C -1.350 174.967 176.300 0.030 0.000 0.987 732 R CA -0.606 55.455 56.100 -0.065 0.000 0.901 732 R CB 2.012 32.292 30.300 -0.033 0.000 1.207 732 R HN 0.511 nan 8.270 nan 0.000 0.463 733 H N 1.327 120.393 119.070 -0.006 0.000 2.502 733 H HA 0.213 4.769 4.556 0.000 0.000 0.327 733 H C 0.780 176.075 175.328 -0.055 0.000 1.099 733 H CA -0.624 55.423 56.048 -0.002 0.000 1.323 733 H CB 1.901 31.682 29.762 0.031 0.000 1.450 733 H HN 0.329 nan 8.280 nan 0.000 0.502 734 R N 2.284 122.787 120.500 0.006 0.000 2.083 734 R HA -0.125 4.215 4.340 0.000 0.000 0.237 734 R C -0.212 175.844 176.300 -0.406 0.000 1.137 734 R CA 1.431 57.356 56.100 -0.292 0.000 0.951 734 R CB 0.062 30.037 30.300 -0.541 0.000 0.851 734 R HN 0.508 nan 8.270 nan 0.000 0.434 735 Y N -1.303 119.020 120.300 0.038 0.000 2.457 735 Y HA 0.374 4.924 4.550 0.000 0.000 0.333 735 Y C 0.296 176.224 175.900 0.046 0.000 1.119 735 Y CA -0.608 57.504 58.100 0.020 0.000 1.143 735 Y CB 2.055 40.507 38.460 -0.014 0.000 1.230 735 Y HN -0.241 nan 8.280 nan 0.000 0.469 736 T N 1.608 116.279 114.554 0.195 0.000 2.916 736 T HA 0.388 4.738 4.350 0.000 0.000 0.305 736 T C 0.204 174.964 174.700 0.099 0.000 1.119 736 T CA -0.548 61.630 62.100 0.130 0.000 1.008 736 T CB 0.908 69.829 68.868 0.090 0.000 1.129 736 T HN 0.713 nan 8.240 nan 0.000 0.480 737 L N 2.625 123.894 121.223 0.077 0.000 2.270 737 L HA 0.240 4.580 4.340 0.000 0.000 0.210 737 L C 0.391 177.286 176.870 0.042 0.000 1.104 737 L CA 0.451 55.322 54.840 0.052 0.000 0.804 737 L CB 0.342 42.426 42.059 0.043 0.000 0.937 737 L HN 0.485 nan 8.230 nan 0.000 0.450 738 V N -1.923 118.017 119.914 0.043 0.000 2.313 738 V HA 0.318 4.438 4.120 0.000 0.000 0.278 738 V C -0.825 175.288 176.094 0.032 0.000 1.017 738 V CA -1.002 61.318 62.300 0.032 0.000 0.823 738 V CB 1.227 33.066 31.823 0.026 0.000 1.010 738 V HN -0.054 nan 8.190 nan 0.000 0.443 739 D N 5.537 125.955 120.400 0.030 0.000 2.295 739 D HA 0.410 5.050 4.640 0.000 0.000 0.248 739 D C -0.102 176.209 176.300 0.019 0.000 1.154 739 D CA -0.190 53.826 54.000 0.027 0.000 0.857 739 D CB 0.941 41.758 40.800 0.029 0.000 1.117 739 D HN 0.352 nan 8.370 nan 0.000 0.468 740 M N 2.855 122.465 119.600 0.015 0.000 2.318 740 M HA 0.350 4.830 4.480 0.000 0.000 0.347 740 M C 1.010 177.315 176.300 0.008 0.000 1.175 740 M CA -0.697 54.609 55.300 0.011 0.000 1.075 740 M CB 1.163 33.769 32.600 0.009 0.000 1.614 740 M HN 0.474 nan 8.290 nan 0.000 0.456 741 A N 2.689 125.513 122.820 0.007 0.000 2.014 741 A HA -0.062 4.258 4.320 0.000 0.000 0.218 741 A C 0.944 178.530 177.584 0.004 0.000 1.163 741 A CA 0.941 52.982 52.037 0.006 0.000 0.652 741 A CB -0.365 18.638 19.000 0.005 0.000 0.808 741 A HN 0.800 nan 8.150 nan 0.000 0.449 742 N N 1.089 119.791 118.700 0.003 0.000 2.415 742 N HA 0.233 4.973 4.740 0.000 0.000 0.246 742 N C -0.941 174.569 175.510 0.001 0.000 1.078 742 N CA 0.259 53.310 53.050 0.002 0.000 0.942 742 N CB 0.066 38.554 38.487 0.002 0.000 1.140 742 N HN 0.271 nan 8.380 nan 0.000 0.501 743 K N 1.460 121.860 120.400 -0.000 0.000 2.318 743 K HA 0.575 4.895 4.320 0.000 0.000 0.249 743 K C -1.435 175.163 176.600 -0.004 0.000 0.942 743 K CA -0.984 55.302 56.287 -0.002 0.000 0.808 743 K CB 2.680 35.179 32.500 -0.003 0.000 1.189 743 K HN 0.184 nan 8.250 nan 0.000 0.428 744 V N 2.867 122.778 119.914 -0.005 0.000 2.656 744 V HA 0.437 4.557 4.120 0.000 0.000 0.307 744 V C -0.576 175.513 176.094 -0.009 0.000 1.051 744 V CA -0.683 61.613 62.300 -0.006 0.000 0.893 744 V CB 1.751 33.571 31.823 -0.004 0.000 0.999 744 V HN 0.714 nan 8.190 nan 0.000 0.426 745 R N 0.000 120.495 120.500 -0.009 0.000 2.786 745 R HA 0.000 4.340 4.340 0.000 0.000 0.208 745 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 745 R CB 0.000 30.294 30.300 -0.011 0.000 0.687 745 R HN 0.000 nan 8.270 nan 0.000 0.535