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 2ecf_1_A DATA FIRST_RESID 22 DATA SEQUENCE KLTLEAITGP LPLSGPTLMK PKVAPDGSRV TFLRGKDSDR NQLDLWSYDI DATA SEQUENCE GSGQTRLLVD SKVVLXXXXX XXXXXXXXXX XXXXXAMTGI VDYQWSPDAQ DATA SEQUENCE RLLFPLGGEL YLYDLKQEGK AAVRQLTHGE GFATDAKLSP KGGFVSFIRG DATA SEQUENCE RNLWVIDLAS GRQMQLTADG STTIGNGIAE FVADEEMDRH TGYWWAPDDS DATA SEQUENCE AIAYARIDES PVPVQKRYEV YADRTDVIEQ RYPAAGDANV QVKLGVISPA DATA SEQUENCE EQAQTQWIDL GKEQDIYLAR VNWRDPQHLS FQRQSRDQKK LDLVEVTLAS DATA SEQUENCE NQQRVLAHET SPTWVPLHNS LRFLDDGSIL WSSERTGFQH LYRIDSKGKA DATA SEQUENCE AALTHGNWSV DELLAVDEKA GLAYFRAGIE SARESQIYAV PLQGGQPQRL DATA SEQUENCE SKAPGMHSAS FARNASVYVD SWSNNSTPPQ IELFRANGEK IATLVENDLA DATA SEQUENCE DPKHPYARYR EAQRPVEFGT LTAADGKTPL NYSVIKPAGF DPAKRYPVAV DATA SEQUENCE YVYGGPASQT VTDSWPGRGD HLFNQYLAQQ GYVVFSLDNR GTPRRGRDFG DATA SEQUENCE GALYGKQGTV EVADQLRGVA WLKQQPWVDP ARIGVQGWSN GGYMTLMLLA DATA SEQUENCE KASDSYAcGV AGAPVTDWGL YDSHYTERYM DLPARNDAGY REARVLTHIE DATA SEQUENCE GLRSPLLLIH GMADDNVLFT NSTSLMSALQ KRGQPFELMT YPGAKHGLSG DATA SEQUENCE ADALHRYRVA EAFLGRcLKP 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 22 K HA 0.000 nan 4.320 nan 0.000 0.191 22 K C 0.000 176.725 176.600 0.209 0.000 0.988 22 K CA 0.000 56.343 56.287 0.092 0.000 0.838 22 K CB 0.000 32.542 32.500 0.070 0.000 1.064 23 L N 2.266 123.548 121.223 0.099 0.000 2.309 23 L HA 0.694 5.034 4.340 0.000 0.000 0.282 23 L C -0.659 176.294 176.870 0.140 0.000 1.036 23 L CA 0.202 55.046 54.840 0.006 0.000 0.806 23 L CB 1.542 43.577 42.059 -0.040 0.000 1.220 23 L HN 0.347 nan 8.230 nan 0.000 0.429 24 T N 1.507 116.084 114.554 0.039 0.000 2.907 24 T HA 0.418 4.768 4.350 0.000 0.000 0.292 24 T C 1.247 175.930 174.700 -0.029 0.000 1.043 24 T CA -0.840 61.340 62.100 0.135 0.000 1.003 24 T CB 0.979 69.918 68.868 0.118 0.000 1.084 24 T HN 0.525 nan 8.240 nan 0.000 0.483 25 L N 0.312 121.469 121.223 -0.110 0.000 2.131 25 L HA -0.080 4.260 4.340 0.000 0.000 0.210 25 L C 2.457 179.281 176.870 -0.076 0.000 1.092 25 L CA 1.334 56.057 54.840 -0.196 0.000 0.759 25 L CB -0.659 41.279 42.059 -0.202 0.000 0.903 25 L HN 0.680 nan 8.230 nan 0.000 0.435 26 E N 0.565 120.754 120.200 -0.018 0.000 2.106 26 E HA -0.137 4.213 4.350 0.000 0.000 0.192 26 E C 2.296 178.897 176.600 0.002 0.000 0.984 26 E CA 1.290 57.696 56.400 0.011 0.000 0.806 26 E CB -0.339 29.386 29.700 0.041 0.000 0.750 26 E HN 0.437 nan 8.360 nan 0.000 0.458 27 A N 0.890 123.696 122.820 -0.023 0.000 1.841 27 A HA -0.144 4.176 4.320 0.000 0.000 0.214 27 A C 2.288 179.830 177.584 -0.070 0.000 1.195 27 A CA 1.232 53.239 52.037 -0.050 0.000 0.611 27 A CB -0.779 18.077 19.000 -0.240 0.000 0.835 27 A HN 0.179 nan 8.150 nan 0.000 0.443 28 I N 0.355 120.853 120.570 -0.120 0.000 2.113 28 I HA -0.288 3.882 4.170 0.000 0.000 0.242 28 I C 2.593 178.673 176.117 -0.062 0.000 1.064 28 I CA 2.143 63.376 61.300 -0.112 0.000 1.320 28 I CB -0.587 37.293 38.000 -0.200 0.000 1.028 28 I HN 0.557 nan 8.210 nan 0.000 0.406 29 T N -1.352 113.176 114.554 -0.044 0.000 3.129 29 T HA 0.170 4.520 4.350 0.000 0.000 0.251 29 T C 1.018 175.719 174.700 0.001 0.000 1.117 29 T CA 0.118 62.215 62.100 -0.004 0.000 1.034 29 T CB -0.826 68.057 68.868 0.026 0.000 0.968 29 T HN 0.338 nan 8.240 nan 0.000 0.526 30 G N 2.941 111.743 108.800 0.004 0.000 2.630 30 G HA2 0.324 4.284 3.960 0.000 0.000 0.236 30 G HA3 0.324 4.284 3.960 0.000 0.000 0.236 30 G C -0.653 174.257 174.900 0.016 0.000 1.248 30 G CA -0.895 44.216 45.100 0.018 0.000 0.844 30 G HN 0.208 nan 8.290 nan 0.000 0.588 31 P HA -0.010 nan 4.420 nan 0.000 0.226 31 P C 0.349 177.656 177.300 0.012 0.000 1.153 31 P CA 0.269 63.377 63.100 0.012 0.000 0.777 31 P CB 0.323 32.031 31.700 0.013 0.000 0.794 32 L N 3.502 124.736 121.223 0.020 0.000 2.262 32 L HA 0.396 4.736 4.340 0.000 0.000 0.288 32 L C -2.157 174.728 176.870 0.026 0.000 1.035 32 L CA -2.805 52.044 54.840 0.017 0.000 0.820 32 L CB 0.689 42.761 42.059 0.023 0.000 1.204 32 L HN -0.176 nan 8.230 nan 0.000 0.424 33 P HA -0.035 nan 4.420 nan 0.000 0.257 33 P C 1.060 178.390 177.300 0.050 0.000 1.189 33 P CA 0.131 63.246 63.100 0.024 0.000 0.780 33 P CB 0.532 32.232 31.700 0.001 0.000 0.772 34 L N 2.858 124.152 121.223 0.119 0.000 2.187 34 L HA -0.198 4.142 4.340 0.000 0.000 0.213 34 L C 2.547 179.571 176.870 0.256 0.000 1.100 34 L CA 1.960 56.949 54.840 0.248 0.000 0.765 34 L CB -0.801 41.457 42.059 0.332 0.000 0.904 34 L HN 0.425 nan 8.230 nan 0.000 0.437 35 S N -0.622 115.189 115.700 0.185 0.000 2.469 35 S HA 0.088 4.558 4.470 0.000 0.000 0.238 35 S C 1.115 175.692 174.600 -0.039 0.000 0.998 35 S CA 0.398 58.686 58.200 0.148 0.000 0.957 35 S CB -0.427 62.851 63.200 0.129 0.000 0.764 35 S HN 0.620 nan 8.310 nan 0.000 0.514 36 G N 1.254 109.991 108.800 -0.105 0.000 2.592 36 G HA2 0.026 3.986 3.960 0.000 0.000 0.684 36 G HA3 0.026 3.986 3.960 0.000 0.000 0.684 36 G C -2.971 171.810 174.900 -0.198 0.000 1.291 36 G CA -0.615 44.308 45.100 -0.295 0.000 0.891 36 G HN 0.381 nan 8.290 nan 0.000 0.544 37 P HA 0.507 nan 4.420 nan 0.000 0.273 37 P C 0.245 177.451 177.300 -0.157 0.000 1.258 37 P CA 0.993 63.996 63.100 -0.162 0.000 0.802 37 P CB 1.322 32.925 31.700 -0.162 0.000 1.040 38 T N -2.013 112.450 114.554 -0.153 0.000 2.661 38 T HA 0.431 4.781 4.350 0.000 0.000 0.303 38 T C -1.833 172.763 174.700 -0.173 0.000 1.658 38 T CA -0.672 61.334 62.100 -0.157 0.000 0.974 38 T CB 0.135 68.936 68.868 -0.112 0.000 1.857 38 T HN 0.202 nan 8.240 nan 0.000 0.475 39 L N 2.231 123.358 121.223 -0.161 0.000 2.341 39 L HA 0.610 4.950 4.340 0.000 0.000 0.278 39 L C -0.089 176.779 176.870 -0.004 0.000 1.005 39 L CA -0.828 53.913 54.840 -0.166 0.000 0.818 39 L CB 1.788 43.672 42.059 -0.292 0.000 1.259 39 L HN 0.678 nan 8.230 nan 0.000 0.418 40 M N 4.213 123.866 119.600 0.087 0.000 2.108 40 M HA 0.176 4.656 4.480 0.000 0.000 0.354 40 M C 0.067 176.505 176.300 0.230 0.000 1.229 40 M CA -0.136 55.245 55.300 0.136 0.000 1.081 40 M CB 0.269 32.944 32.600 0.125 0.000 1.606 40 M HN 0.505 nan 8.290 nan 0.000 0.467 41 K N 3.326 123.845 120.400 0.198 0.000 3.257 41 K HA -0.094 4.226 4.320 0.000 0.000 0.270 41 K C -2.599 174.212 176.600 0.351 0.000 0.984 41 K CA 0.321 56.757 56.287 0.248 0.000 0.739 41 K CB -1.229 31.457 32.500 0.310 0.000 1.351 41 K HN 0.433 nan 8.250 nan 0.000 0.463 42 P HA 0.158 nan 4.420 nan 0.000 0.280 42 P C -0.792 176.691 177.300 0.305 0.000 1.244 42 P CA 0.030 63.327 63.100 0.329 0.000 0.784 42 P CB 1.126 32.941 31.700 0.192 0.000 0.913 43 K N 1.292 121.931 120.400 0.398 0.000 2.512 43 K HA 0.542 4.862 4.320 0.000 0.000 0.263 43 K C -1.176 175.614 176.600 0.317 0.000 0.966 43 K CA -1.119 55.377 56.287 0.348 0.000 0.851 43 K CB 2.454 35.201 32.500 0.412 0.000 1.395 43 K HN 0.115 nan 8.250 nan 0.000 0.440 44 V N 1.755 121.776 119.914 0.178 0.000 2.357 44 V HA 0.337 4.457 4.120 0.000 0.000 0.284 44 V C 0.034 176.009 176.094 -0.198 0.000 1.018 44 V CA -1.030 61.292 62.300 0.037 0.000 0.841 44 V CB 1.145 32.987 31.823 0.031 0.000 0.991 44 V HN 0.940 nan 8.190 nan 0.000 0.437 45 A N 6.764 129.275 122.820 -0.515 0.000 2.565 45 A HA 0.262 4.582 4.320 0.000 0.000 0.237 45 A C -1.099 176.171 177.584 -0.524 0.000 1.053 45 A CA -0.452 50.908 52.037 -1.127 0.000 0.755 45 A CB -0.195 18.047 19.000 -1.262 0.000 0.980 45 A HN 0.741 nan 8.150 nan 0.000 0.506 46 P HA -0.190 nan 4.420 nan 0.000 0.218 46 P C 0.487 177.720 177.300 -0.111 0.000 1.146 46 P CA 1.889 64.899 63.100 -0.149 0.000 0.820 46 P CB 0.072 31.732 31.700 -0.066 0.000 0.778 47 D N -2.731 117.570 120.400 -0.166 0.000 2.340 47 D HA 0.141 4.781 4.640 0.000 0.000 0.217 47 D C 1.307 177.554 176.300 -0.087 0.000 1.081 47 D CA 0.219 54.163 54.000 -0.093 0.000 0.842 47 D CB -1.060 39.693 40.800 -0.078 0.000 0.934 47 D HN 0.148 nan 8.370 nan 0.000 0.511 48 G N 0.776 109.504 108.800 -0.120 0.000 2.180 48 G HA2 -0.399 3.561 3.960 0.000 0.000 0.263 48 G HA3 -0.399 3.561 3.960 0.000 0.000 0.263 48 G C 1.233 176.091 174.900 -0.070 0.000 0.989 48 G CA 1.140 46.191 45.100 -0.081 0.000 0.692 48 G HN 0.664 nan 8.290 nan 0.000 0.526 49 S N -0.276 115.360 115.700 -0.106 0.000 2.383 49 S HA 0.126 4.596 4.470 0.000 0.000 0.227 49 S C 1.269 175.862 174.600 -0.013 0.000 1.026 49 S CA 1.504 59.669 58.200 -0.059 0.000 0.981 49 S CB -0.040 63.117 63.200 -0.071 0.000 0.818 49 S HN 1.430 nan 8.310 nan 0.000 0.472 50 R N -1.016 119.468 120.500 -0.027 0.000 2.762 50 R HA 0.657 4.997 4.340 0.000 0.000 0.271 50 R C -2.274 174.104 176.300 0.130 0.000 1.038 50 R CA -0.856 55.306 56.100 0.103 0.000 0.906 50 R CB 1.064 31.452 30.300 0.146 0.000 1.259 50 R HN 0.076 nan 8.270 nan 0.000 0.457 51 V N 1.497 121.575 119.914 0.273 0.000 2.409 51 V HA 0.335 4.455 4.120 0.000 0.000 0.290 51 V C -0.059 176.298 176.094 0.438 0.000 1.017 51 V CA -0.562 61.920 62.300 0.304 0.000 0.841 51 V CB 1.499 33.461 31.823 0.231 0.000 1.003 51 V HN 0.936 nan 8.190 nan 0.000 0.426 52 T N 2.404 117.244 114.554 0.476 0.000 2.922 52 T HA 0.879 5.229 4.350 0.000 0.000 0.285 52 T C -0.658 174.307 174.700 0.442 0.000 1.005 52 T CA -0.467 61.846 62.100 0.354 0.000 1.061 52 T CB 1.532 70.578 68.868 0.296 0.000 1.007 52 T HN 0.711 nan 8.240 nan 0.000 0.502 53 F N -0.625 119.431 119.950 0.178 0.000 2.678 53 F HA 0.672 5.199 4.527 0.000 0.000 0.308 53 F C -1.833 174.037 175.800 0.117 0.000 1.118 53 F CA -1.816 56.288 58.000 0.175 0.000 0.959 53 F CB 0.958 40.044 39.000 0.145 0.000 1.305 53 F HN 0.533 nan 8.300 nan 0.000 0.443 54 L N 3.006 124.390 121.223 0.267 0.000 2.350 54 L HA 0.670 5.010 4.340 0.000 0.000 0.275 54 L C -0.005 176.979 176.870 0.190 0.000 1.099 54 L CA -0.674 54.257 54.840 0.152 0.000 0.808 54 L CB 1.498 43.655 42.059 0.163 0.000 1.149 54 L HN 0.809 nan 8.230 nan 0.000 0.442 55 R N 0.749 121.310 120.500 0.102 0.000 2.626 55 R HA 0.525 4.865 4.340 0.000 0.000 0.274 55 R C -0.507 175.801 176.300 0.013 0.000 1.031 55 R CA -0.504 55.572 56.100 -0.040 0.000 0.898 55 R CB 2.164 32.166 30.300 -0.496 0.000 1.222 55 R HN 0.772 nan 8.270 nan 0.000 0.455 56 G N 2.041 110.832 108.800 -0.016 0.000 2.588 56 G HA2 0.257 4.217 3.960 0.000 0.000 0.281 56 G HA3 0.257 4.217 3.960 0.000 0.000 0.281 56 G C -0.690 174.231 174.900 0.035 0.000 1.236 56 G CA -0.469 44.641 45.100 0.016 0.000 0.969 56 G HN 0.489 nan 8.290 nan 0.000 0.504 57 K N -1.150 119.276 120.400 0.044 0.000 2.132 57 K HA 0.265 4.585 4.320 0.000 0.000 0.241 57 K C 0.135 176.753 176.600 0.029 0.000 1.000 57 K CA -0.388 55.934 56.287 0.059 0.000 0.911 57 K CB 1.361 33.891 32.500 0.049 0.000 1.093 57 K HN 0.421 nan 8.250 nan 0.000 0.460 58 D N -0.552 119.868 120.400 0.034 0.000 2.333 58 D HA -0.110 4.530 4.640 0.000 0.000 0.208 58 D C 1.551 177.859 176.300 0.013 0.000 0.984 58 D CA 0.651 54.662 54.000 0.018 0.000 0.873 58 D CB 0.299 41.113 40.800 0.023 0.000 0.935 58 D HN 0.445 nan 8.370 nan 0.000 0.521 59 S N -0.796 114.913 115.700 0.016 0.000 2.406 59 S HA -0.059 4.411 4.470 0.000 0.000 0.224 59 S C 0.649 175.253 174.600 0.006 0.000 1.030 59 S CA 0.355 58.560 58.200 0.009 0.000 0.958 59 S CB 0.379 63.583 63.200 0.008 0.000 0.811 59 S HN 0.017 nan 8.310 nan 0.000 0.489 60 D N 0.066 120.470 120.400 0.008 0.000 2.736 60 D HA 0.554 5.194 4.640 0.000 0.000 0.243 60 D C 0.915 177.219 176.300 0.006 0.000 1.304 60 D CA -0.146 53.857 54.000 0.005 0.000 0.934 60 D CB 1.867 42.668 40.800 0.002 0.000 1.382 60 D HN 0.141 nan 8.370 nan 0.000 0.571 61 R N 3.111 123.612 120.500 0.002 0.000 2.092 61 R HA -0.111 4.229 4.340 0.000 0.000 0.231 61 R C 1.303 177.605 176.300 0.004 0.000 1.119 61 R CA 1.531 57.630 56.100 -0.001 0.000 0.970 61 R CB -1.117 29.180 30.300 -0.004 0.000 0.864 61 R HN 0.446 nan 8.270 nan 0.000 0.440 62 N N 0.397 119.100 118.700 0.006 0.000 2.362 62 N HA 0.030 4.770 4.740 0.000 0.000 0.204 62 N C -0.332 175.185 175.510 0.011 0.000 1.166 62 N CA 0.073 53.129 53.050 0.010 0.000 0.831 62 N CB 0.860 39.353 38.487 0.010 0.000 1.008 62 N HN 0.374 nan 8.380 nan 0.000 0.472 63 Q N 1.101 120.906 119.800 0.009 0.000 2.465 63 Q HA 0.251 4.591 4.340 0.000 0.000 0.237 63 Q C -0.644 175.364 176.000 0.013 0.000 1.051 63 Q CA -0.236 55.569 55.803 0.003 0.000 0.874 63 Q CB 0.833 29.570 28.738 -0.002 0.000 1.207 63 Q HN 0.331 nan 8.270 nan 0.000 0.508 64 L N 2.495 123.725 121.223 0.012 0.000 2.360 64 L HA 0.282 4.622 4.340 0.000 0.000 0.276 64 L C 0.195 177.066 176.870 0.002 0.000 1.121 64 L CA -0.103 54.754 54.840 0.027 0.000 0.845 64 L CB 0.447 42.531 42.059 0.041 0.000 1.143 64 L HN 0.271 nan 8.230 nan 0.000 0.452 65 D N 2.244 122.679 120.400 0.058 0.000 2.299 65 D HA 0.374 5.014 4.640 0.000 0.000 0.243 65 D C -0.663 175.641 176.300 0.007 0.000 0.982 65 D CA -0.483 53.522 54.000 0.008 0.000 0.924 65 D CB 2.491 43.343 40.800 0.086 0.000 1.238 65 D HN 0.148 nan 8.370 nan 0.000 0.484 66 L N 2.728 123.836 121.223 -0.190 0.000 2.334 66 L HA 0.301 4.641 4.340 0.000 0.000 0.286 66 L C -1.075 175.592 176.870 -0.339 0.000 1.108 66 L CA -0.273 54.390 54.840 -0.295 0.000 0.875 66 L CB -0.260 41.567 42.059 -0.388 0.000 1.246 66 L HN 0.265 nan 8.230 nan 0.000 0.439 67 W N 3.248 124.213 121.300 -0.557 0.000 2.166 67 W HA 0.667 5.327 4.660 0.000 0.000 0.364 67 W C 0.521 176.597 176.519 -0.739 0.000 1.344 67 W CA 0.020 56.953 57.345 -0.687 0.000 1.471 67 W CB 1.249 30.139 29.460 -0.951 0.000 1.220 67 W HN 0.520 nan 8.180 nan 0.000 0.666 68 S N 0.438 115.982 115.700 -0.259 0.000 2.588 68 S HA 0.479 4.949 4.470 0.000 0.000 0.269 68 S C -2.266 172.483 174.600 0.250 0.000 1.157 68 S CA -0.698 57.495 58.200 -0.011 0.000 0.824 68 S CB 0.673 63.881 63.200 0.013 0.000 1.126 68 S HN 0.356 nan 8.310 nan 0.000 0.464 69 Y N 1.978 122.412 120.300 0.224 0.000 2.363 69 Y HA 0.498 5.049 4.550 0.000 0.000 0.325 69 Y C -1.038 174.932 175.900 0.117 0.000 0.984 69 Y CA -0.516 57.709 58.100 0.208 0.000 1.248 69 Y CB 0.925 39.532 38.460 0.244 0.000 1.116 69 Y HN 0.700 nan 8.280 nan 0.000 0.470 70 D N 5.558 125.804 120.400 -0.257 0.000 2.343 70 D HA 0.139 4.779 4.640 0.000 0.000 0.255 70 D C 0.812 176.957 176.300 -0.258 0.000 1.187 70 D CA 0.256 54.158 54.000 -0.163 0.000 0.875 70 D CB 1.165 41.884 40.800 -0.135 0.000 1.136 70 D HN 0.584 nan 8.370 nan 0.000 0.469 71 I N 2.181 122.758 120.570 0.012 0.000 2.202 71 I HA -0.061 4.109 4.170 0.000 0.000 0.242 71 I C 2.518 178.630 176.117 -0.008 0.000 1.091 71 I CA 1.198 62.554 61.300 0.093 0.000 1.368 71 I CB -0.622 37.439 38.000 0.103 0.000 1.058 71 I HN 0.625 nan 8.210 nan 0.000 0.410 72 G N -0.116 108.669 108.800 -0.026 0.000 2.476 72 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 72 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 72 G C 1.790 176.657 174.900 -0.054 0.000 1.164 72 G CA 1.519 46.601 45.100 -0.031 0.000 0.768 72 G HN 0.517 nan 8.290 nan 0.000 0.560 73 S N -0.793 114.850 115.700 -0.094 0.000 2.356 73 S HA 0.358 4.829 4.470 0.000 0.000 0.219 73 S C 1.949 176.465 174.600 -0.140 0.000 1.036 73 S CA 1.307 59.444 58.200 -0.104 0.000 0.965 73 S CB -0.238 62.896 63.200 -0.110 0.000 0.864 73 S HN 1.696 nan 8.310 nan 0.000 0.471 74 G N 0.812 109.444 108.800 -0.279 0.000 2.138 74 G HA2 -0.155 3.805 3.960 0.000 0.000 0.193 74 G HA3 -0.155 3.805 3.960 0.000 0.000 0.193 74 G C -0.287 174.397 174.900 -0.361 0.000 0.998 74 G CA -0.061 44.839 45.100 -0.333 0.000 0.668 74 G HN 0.632 nan 8.290 nan 0.000 0.516 75 Q N -0.021 119.564 119.800 -0.359 0.000 2.205 75 Q HA 0.644 4.984 4.340 0.000 0.000 0.249 75 Q C -0.388 175.513 176.000 -0.165 0.000 0.948 75 Q CA -0.280 55.411 55.803 -0.186 0.000 0.895 75 Q CB 1.421 30.096 28.738 -0.106 0.000 1.249 75 Q HN 0.106 nan 8.270 nan 0.000 0.458 76 T N 1.940 116.535 114.554 0.068 0.000 3.253 76 T HA 0.238 4.588 4.350 0.000 0.000 0.391 76 T C -0.537 174.361 174.700 0.329 0.000 1.527 76 T CA -0.416 61.855 62.100 0.284 0.000 1.268 76 T CB -0.021 69.085 68.868 0.397 0.000 1.126 76 T HN 0.310 nan 8.240 nan 0.000 0.620 77 R N 3.015 123.583 120.500 0.114 0.000 2.474 77 R HA 0.501 4.841 4.340 0.000 0.000 0.295 77 R C -0.269 175.724 176.300 -0.512 0.000 0.980 77 R CA -0.817 55.204 56.100 -0.131 0.000 0.934 77 R CB 0.972 31.183 30.300 -0.149 0.000 1.101 77 R HN 0.511 nan 8.270 nan 0.000 0.469 78 L N 4.866 125.335 121.223 -1.256 0.000 2.455 78 L HA 0.022 4.362 4.340 0.000 0.000 0.272 78 L C 0.297 176.675 176.870 -0.821 0.000 1.174 78 L CA -0.153 53.613 54.840 -1.791 0.000 0.869 78 L CB 0.732 41.684 42.059 -1.845 0.000 1.130 78 L HN 0.811 nan 8.230 nan 0.000 0.474 79 L N 5.929 126.762 121.223 -0.650 0.000 2.262 79 L HA 0.296 4.636 4.340 0.000 0.000 0.197 79 L C 0.105 176.739 176.870 -0.393 0.000 1.073 79 L CA 1.034 55.631 54.840 -0.405 0.000 0.800 79 L CB 0.528 42.398 42.059 -0.316 0.000 0.987 79 L HN 0.449 nan 8.230 nan 0.000 0.470 80 V N 0.651 120.296 119.914 -0.447 0.000 2.588 80 V HA 0.368 4.488 4.120 0.000 0.000 0.304 80 V C -1.123 174.753 176.094 -0.363 0.000 1.042 80 V CA -1.065 60.970 62.300 -0.443 0.000 0.877 80 V CB 1.606 33.068 31.823 -0.602 0.000 0.996 80 V HN 0.067 nan 8.190 nan 0.000 0.425 81 D N 2.401 122.635 120.400 -0.277 0.000 2.280 81 D HA 0.200 4.840 4.640 0.000 0.000 0.243 81 D C 1.357 177.518 176.300 -0.232 0.000 1.129 81 D CA 0.235 54.105 54.000 -0.218 0.000 0.848 81 D CB 2.086 42.792 40.800 -0.157 0.000 1.107 81 D HN 0.641 nan 8.370 nan 0.000 0.471 82 S N 4.025 119.592 115.700 -0.222 0.000 2.387 82 S HA -0.182 4.288 4.470 0.000 0.000 0.230 82 S C 1.461 175.934 174.600 -0.212 0.000 1.035 82 S CA 0.769 58.821 58.200 -0.246 0.000 1.014 82 S CB 0.017 63.113 63.200 -0.173 0.000 0.836 82 S HN 0.348 nan 8.310 nan 0.000 0.466 83 K N 0.954 121.263 120.400 -0.151 0.000 2.551 83 K HA 0.281 4.601 4.320 0.000 0.000 0.192 83 K C 1.054 177.579 176.600 -0.125 0.000 1.027 83 K CA 0.178 56.391 56.287 -0.125 0.000 1.059 83 K CB -0.040 32.409 32.500 -0.085 0.000 0.831 83 K HN 0.439 nan 8.250 nan 0.000 0.508 84 V N -0.416 119.411 119.914 -0.145 0.000 3.643 84 V HA 0.001 4.121 4.120 0.000 0.000 0.280 84 V C 1.590 177.599 176.094 -0.141 0.000 1.351 84 V CA 0.344 62.578 62.300 -0.110 0.000 1.073 84 V CB 0.848 32.631 31.823 -0.067 0.000 0.863 84 V HN -0.112 nan 8.190 nan 0.000 0.436 85 V N -0.818 118.951 119.914 -0.242 0.000 3.307 85 V HA 0.317 4.437 4.120 0.000 0.000 0.244 85 V C 0.478 176.295 176.094 -0.462 0.000 1.196 85 V CA 0.658 62.732 62.300 -0.377 0.000 1.132 85 V CB 0.748 32.241 31.823 -0.550 0.000 0.875 85 V HN 0.261 nan 8.190 nan 0.000 0.468 108 M N 2.578 122.193 119.600 0.025 0.000 2.251 108 M HA 0.437 4.917 4.480 0.000 0.000 0.346 108 M C 0.715 177.033 176.300 0.030 0.000 1.499 108 M CA 1.154 56.472 55.300 0.030 0.000 1.128 108 M CB 0.065 32.689 32.600 0.040 0.000 1.809 108 M HN 0.789 nan 8.290 nan 0.000 0.464 109 T N 1.716 116.282 114.554 0.021 0.000 2.888 109 T HA 0.989 5.339 4.350 0.000 0.000 0.288 109 T C 0.264 174.965 174.700 0.000 0.000 1.063 109 T CA -0.245 61.863 62.100 0.013 0.000 1.010 109 T CB 1.340 70.211 68.868 0.005 0.000 1.214 109 T HN 1.224 nan 8.240 nan 0.000 0.533 110 G N 0.563 109.350 108.800 -0.021 0.000 2.568 110 G HA2 -0.119 3.841 3.960 0.000 0.000 0.222 110 G HA3 -0.119 3.841 3.960 0.000 0.000 0.222 110 G C -0.289 174.574 174.900 -0.061 0.000 1.321 110 G CA -0.451 44.613 45.100 -0.060 0.000 0.893 110 G HN 1.159 nan 8.290 nan 0.000 0.569 111 I N 2.170 122.676 120.570 -0.108 0.000 2.577 111 I HA 0.090 4.260 4.170 0.000 0.000 0.299 111 I C 1.952 178.102 176.117 0.055 0.000 1.157 111 I CA 0.445 61.694 61.300 -0.085 0.000 1.418 111 I CB 0.206 38.083 38.000 -0.205 0.000 1.467 111 I HN 0.622 nan 8.210 nan 0.000 0.624 112 V N 0.647 120.616 119.914 0.091 0.000 3.406 112 V HA 0.189 4.309 4.120 0.000 0.000 0.263 112 V C 0.402 176.604 176.094 0.179 0.000 1.172 112 V CA 0.629 63.002 62.300 0.121 0.000 1.140 112 V CB -0.450 31.432 31.823 0.097 0.000 0.784 112 V HN 0.712 nan 8.190 nan 0.000 0.467 113 D N -0.986 119.560 120.400 0.244 0.000 2.663 113 D HA 0.466 5.106 4.640 0.000 0.000 0.233 113 D C -1.228 175.309 176.300 0.396 0.000 1.240 113 D CA -0.449 53.710 54.000 0.265 0.000 0.774 113 D CB 2.257 43.143 40.800 0.143 0.000 1.443 113 D HN 0.317 nan 8.370 nan 0.000 0.441 114 Y N -0.498 119.863 120.300 0.102 0.000 2.853 114 Y HA 0.675 5.225 4.550 0.000 0.000 0.326 114 Y C -1.798 174.059 175.900 -0.073 0.000 1.384 114 Y CA -0.971 57.119 58.100 -0.016 0.000 1.077 114 Y CB 0.958 39.386 38.460 -0.052 0.000 1.395 114 Y HN 0.460 nan 8.280 nan 0.000 0.451 115 Q N 0.114 119.757 119.800 -0.263 0.000 2.617 115 Q HA 0.309 4.649 4.340 0.000 0.000 0.270 115 Q C -2.530 173.411 176.000 -0.099 0.000 0.967 115 Q CA -0.745 54.928 55.803 -0.218 0.000 0.887 115 Q CB 1.381 30.053 28.738 -0.109 0.000 1.516 115 Q HN 0.800 nan 8.270 nan 0.000 0.395 116 W N 1.999 123.302 121.300 0.004 0.000 2.251 116 W HA 0.445 5.105 4.660 0.000 0.000 0.329 116 W C 0.590 177.116 176.519 0.013 0.000 1.234 116 W CA 0.114 57.477 57.345 0.031 0.000 1.228 116 W CB 1.643 31.143 29.460 0.067 0.000 1.135 116 W HN 0.645 nan 8.180 nan 0.000 0.576 117 S N 2.271 118.154 115.700 0.304 0.000 2.580 117 S HA 0.197 4.667 4.470 0.000 0.000 0.274 117 S C -1.869 172.842 174.600 0.186 0.000 1.329 117 S CA -1.061 57.244 58.200 0.176 0.000 1.036 117 S CB 1.308 64.584 63.200 0.127 0.000 0.919 117 S HN 0.279 nan 8.310 nan 0.000 0.515 118 P HA -0.172 nan 4.420 nan 0.000 0.217 118 P C 0.715 178.061 177.300 0.075 0.000 1.148 118 P CA 1.564 64.715 63.100 0.086 0.000 0.834 118 P CB -0.082 31.649 31.700 0.051 0.000 0.783 119 D N -1.798 118.650 120.400 0.081 0.000 2.395 119 D HA 0.171 4.811 4.640 0.000 0.000 0.226 119 D C 0.613 176.971 176.300 0.097 0.000 1.146 119 D CA -0.014 54.026 54.000 0.068 0.000 0.830 119 D CB -0.714 40.118 40.800 0.053 0.000 0.958 119 D HN 0.048 nan 8.370 nan 0.000 0.501 120 A N 0.166 123.077 122.820 0.151 0.000 2.750 120 A HA -0.346 3.974 4.320 0.000 0.000 0.298 120 A C 1.445 179.232 177.584 0.338 0.000 1.500 120 A CA 1.739 53.916 52.037 0.233 0.000 0.891 120 A CB -2.178 16.763 19.000 -0.099 0.000 0.972 120 A HN 0.390 nan 8.150 nan 0.000 0.531 121 Q N -1.440 118.512 119.800 0.254 0.000 2.200 121 Q HA 0.255 4.595 4.340 0.000 0.000 0.197 121 Q C 1.055 177.167 176.000 0.187 0.000 0.953 121 Q CA 1.555 57.472 55.803 0.190 0.000 0.851 121 Q CB 0.319 29.120 28.738 0.106 0.000 0.938 121 Q HN 0.787 nan 8.270 nan 0.000 0.488 122 R N -1.158 119.432 120.500 0.150 0.000 2.939 122 R HA 0.689 5.029 4.340 0.000 0.000 0.254 122 R C -1.153 175.126 176.300 -0.035 0.000 1.123 122 R CA -0.560 55.585 56.100 0.075 0.000 1.020 122 R CB 1.172 31.499 30.300 0.045 0.000 1.206 122 R HN -0.007 nan 8.270 nan 0.000 0.491 123 L N 0.945 122.065 121.223 -0.171 0.000 2.381 123 L HA 0.549 4.889 4.340 0.000 0.000 0.268 123 L C -1.288 175.276 176.870 -0.510 0.000 0.997 123 L CA -1.103 53.448 54.840 -0.482 0.000 0.818 123 L CB 1.993 43.547 42.059 -0.842 0.000 1.310 123 L HN 0.280 nan 8.230 nan 0.000 0.416 124 L N 2.396 123.338 121.223 -0.468 0.000 2.295 124 L HA 0.535 4.875 4.340 0.000 0.000 0.285 124 L C -1.282 175.356 176.870 -0.386 0.000 1.035 124 L CA 0.261 54.924 54.840 -0.295 0.000 0.806 124 L CB 0.945 42.943 42.059 -0.101 0.000 1.214 124 L HN 0.237 nan 8.230 nan 0.000 0.426 125 F N 6.060 126.061 119.950 0.086 0.000 2.359 125 F HA 0.454 4.981 4.527 0.000 0.000 0.369 125 F C -2.081 173.771 175.800 0.086 0.000 1.084 125 F CA -2.463 55.603 58.000 0.111 0.000 1.096 125 F CB 0.913 40.005 39.000 0.154 0.000 1.335 125 F HN 0.392 nan 8.300 nan 0.000 0.457 126 P HA 0.249 nan 4.420 nan 0.000 0.273 126 P C -0.841 176.514 177.300 0.090 0.000 1.428 126 P CA 0.236 63.368 63.100 0.055 0.000 0.995 126 P CB 0.398 32.115 31.700 0.028 0.000 1.286 127 L N 2.495 123.766 121.223 0.079 0.000 2.343 127 L HA 0.552 4.892 4.340 0.000 0.000 0.278 127 L C 1.067 177.960 176.870 0.039 0.000 0.996 127 L CA -0.894 54.020 54.840 0.122 0.000 0.831 127 L CB 1.478 43.697 42.059 0.267 0.000 1.232 127 L HN 0.502 nan 8.230 nan 0.000 0.413 128 G N 2.031 110.872 108.800 0.068 0.000 2.366 128 G HA2 -0.130 3.830 3.960 0.000 0.000 0.299 128 G HA3 -0.130 3.830 3.960 0.000 0.000 0.299 128 G C 1.008 175.867 174.900 -0.069 0.000 1.020 128 G CA 0.784 45.960 45.100 0.127 0.000 1.026 128 G HN 1.377 nan 8.290 nan 0.000 0.512 129 G N -1.657 106.770 108.800 -0.622 0.000 2.196 129 G HA2 -0.224 3.736 3.960 0.000 0.000 0.268 129 G HA3 -0.224 3.736 3.960 0.000 0.000 0.268 129 G C 0.218 174.676 174.900 -0.737 0.000 0.975 129 G CA 1.335 45.555 45.100 -1.467 0.000 0.648 129 G HN 1.100 nan 8.290 nan 0.000 0.538 130 E N -0.484 119.425 120.200 -0.485 0.000 2.202 130 E HA 0.743 5.093 4.350 0.000 0.000 0.272 130 E C 0.243 176.483 176.600 -0.600 0.000 0.951 130 E CA -0.690 55.383 56.400 -0.545 0.000 0.813 130 E CB 0.997 30.407 29.700 -0.483 0.000 1.151 130 E HN 0.264 nan 8.360 nan 0.000 0.398 131 L N 3.941 124.744 121.223 -0.700 0.000 2.305 131 L HA 0.459 4.799 4.340 0.000 0.000 0.284 131 L C -0.993 175.558 176.870 -0.532 0.000 1.013 131 L CA -0.862 53.678 54.840 -0.500 0.000 0.819 131 L CB 0.536 42.352 42.059 -0.405 0.000 1.227 131 L HN 0.486 nan 8.230 nan 0.000 0.417 132 Y N 3.461 123.772 120.300 0.017 0.000 2.364 132 Y HA 0.492 5.042 4.550 0.000 0.000 0.340 132 Y C -0.365 175.631 175.900 0.161 0.000 0.975 132 Y CA -0.752 57.406 58.100 0.096 0.000 1.089 132 Y CB 2.055 40.612 38.460 0.161 0.000 1.192 132 Y HN 0.358 nan 8.280 nan 0.000 0.454 133 L N 4.750 126.127 121.223 0.257 0.000 2.280 133 L HA 0.416 4.756 4.340 0.000 0.000 0.287 133 L C -1.576 175.421 176.870 0.212 0.000 1.023 133 L CA -0.795 54.141 54.840 0.160 0.000 0.819 133 L CB 0.396 42.500 42.059 0.075 0.000 1.212 133 L HN 0.593 nan 8.230 nan 0.000 0.420 134 Y N 4.607 124.953 120.300 0.077 0.000 2.342 134 Y HA 0.343 4.893 4.550 0.000 0.000 0.338 134 Y C -0.195 175.709 175.900 0.006 0.000 0.965 134 Y CA -0.683 57.478 58.100 0.102 0.000 1.159 134 Y CB 0.778 39.422 38.460 0.307 0.000 1.157 134 Y HN 0.606 nan 8.280 nan 0.000 0.486 135 D N 5.639 125.942 120.400 -0.162 0.000 2.317 135 D HA 0.037 4.677 4.640 0.000 0.000 0.252 135 D C 0.600 176.868 176.300 -0.052 0.000 1.174 135 D CA -0.011 53.945 54.000 -0.073 0.000 0.866 135 D CB 1.447 42.181 40.800 -0.108 0.000 1.127 135 D HN 0.692 nan 8.370 nan 0.000 0.467 136 L N 5.278 126.589 121.223 0.146 0.000 2.027 136 L HA -0.159 4.181 4.340 0.000 0.000 0.206 136 L C 2.757 179.685 176.870 0.097 0.000 1.074 136 L CA 2.070 57.035 54.840 0.209 0.000 0.745 136 L CB -1.176 41.008 42.059 0.208 0.000 0.898 136 L HN 0.617 nan 8.230 nan 0.000 0.433 137 K N -0.314 120.117 120.400 0.052 0.000 1.981 137 K HA -0.203 4.117 4.320 0.000 0.000 0.228 137 K C 1.557 178.152 176.600 -0.008 0.000 1.050 137 K CA 2.103 58.403 56.287 0.022 0.000 1.001 137 K CB -1.940 30.566 32.500 0.009 0.000 0.738 137 K HN 0.473 nan 8.250 nan 0.000 0.447 138 Q N 1.591 121.364 119.800 -0.046 0.000 2.962 138 Q HA 0.473 4.813 4.340 0.000 0.000 0.251 138 Q C 0.610 176.544 176.000 -0.110 0.000 1.380 138 Q CA 0.707 56.468 55.803 -0.070 0.000 0.926 138 Q CB -1.876 26.814 28.738 -0.080 0.000 1.704 138 Q HN 1.014 nan 8.270 nan 0.000 0.563 139 E N -0.123 120.045 120.200 -0.053 0.000 2.435 139 E HA 0.621 4.971 4.350 0.000 0.000 0.256 139 E C 1.138 177.712 176.600 -0.043 0.000 1.245 139 E CA 0.616 57.003 56.400 -0.022 0.000 0.989 139 E CB -0.013 29.716 29.700 0.050 0.000 0.983 139 E HN 2.273 nan 8.360 nan 0.000 0.480 140 G N -1.747 107.056 108.800 0.006 0.000 2.615 140 G HA2 0.344 4.304 3.960 0.000 0.000 0.218 140 G HA3 0.344 4.304 3.960 0.000 0.000 0.218 140 G C 0.648 175.522 174.900 -0.044 0.000 1.339 140 G CA 0.810 45.902 45.100 -0.013 0.000 0.884 140 G HN 1.673 nan 8.290 nan 0.000 0.559 141 K N -1.007 119.365 120.400 -0.047 0.000 2.136 141 K HA 0.875 5.195 4.320 0.000 0.000 0.237 141 K C 1.994 178.541 176.600 -0.089 0.000 1.048 141 K CA 1.638 57.889 56.287 -0.059 0.000 0.880 141 K CB -0.649 31.824 32.500 -0.045 0.000 1.105 141 K HN 2.717 nan 8.250 nan 0.000 0.507 142 A N -2.295 120.474 122.820 -0.085 0.000 2.979 142 A HA -0.037 4.283 4.320 0.000 0.000 0.260 142 A C 1.650 179.148 177.584 -0.143 0.000 1.282 142 A CA 2.375 54.360 52.037 -0.087 0.000 0.971 142 A CB -2.106 16.855 19.000 -0.066 0.000 1.124 142 A HN 2.232 nan 8.150 nan 0.000 0.826 143 A N -1.232 121.444 122.820 -0.239 0.000 2.035 143 A HA 0.551 4.871 4.320 0.000 0.000 0.208 143 A C 0.972 178.305 177.584 -0.419 0.000 1.206 143 A CA 1.018 52.781 52.037 -0.457 0.000 0.773 143 A CB 0.070 18.552 19.000 -0.864 0.000 0.878 143 A HN 1.105 nan 8.150 nan 0.000 0.469 144 V N 0.780 120.555 119.914 -0.232 0.000 2.775 144 V HA 0.342 4.462 4.120 0.000 0.000 0.299 144 V C 0.399 176.502 176.094 0.016 0.000 1.062 144 V CA -0.025 62.259 62.300 -0.027 0.000 1.063 144 V CB 0.991 32.816 31.823 0.004 0.000 0.994 144 V HN 0.524 nan 8.190 nan 0.000 0.483 145 R N 3.415 123.979 120.500 0.107 0.000 2.531 145 R HA 0.291 4.631 4.340 0.000 0.000 0.293 145 R C -0.727 175.672 176.300 0.164 0.000 1.124 145 R CA -0.536 55.625 56.100 0.102 0.000 0.945 145 R CB 1.207 31.539 30.300 0.054 0.000 1.195 145 R HN 0.841 nan 8.270 nan 0.000 0.433 146 Q N 4.408 124.308 119.800 0.166 0.000 2.304 146 Q HA 0.137 4.477 4.340 0.000 0.000 0.260 146 Q C 0.054 175.980 176.000 -0.123 0.000 0.965 146 Q CA 0.004 55.831 55.803 0.040 0.000 0.898 146 Q CB 1.094 29.847 28.738 0.023 0.000 1.196 146 Q HN 0.763 nan 8.270 nan 0.000 0.402 147 L N 2.292 123.364 121.223 -0.252 0.000 2.470 147 L HA 0.162 4.502 4.340 0.000 0.000 0.219 147 L C 0.804 177.508 176.870 -0.276 0.000 1.071 147 L CA 0.287 55.024 54.840 -0.171 0.000 0.850 147 L CB 0.450 42.442 42.059 -0.111 0.000 1.040 147 L HN 0.655 nan 8.230 nan 0.000 0.475 148 T N -3.105 111.129 114.554 -0.534 0.000 2.912 148 T HA 0.503 4.853 4.350 0.000 0.000 0.288 148 T C -0.744 173.524 174.700 -0.720 0.000 1.030 148 T CA -0.521 61.270 62.100 -0.514 0.000 1.020 148 T CB 1.784 70.310 68.868 -0.569 0.000 1.056 148 T HN 0.050 nan 8.240 nan 0.000 0.480 149 H N 0.206 119.181 119.070 -0.158 0.000 2.569 149 H HA 0.520 5.076 4.556 0.000 0.000 0.247 149 H C 1.242 176.516 175.328 -0.091 0.000 1.346 149 H CA -0.191 55.797 56.048 -0.101 0.000 1.502 149 H CB 0.397 30.129 29.762 -0.050 0.000 1.512 149 H HN 1.156 nan 8.280 nan 0.000 0.502 150 G N 2.231 111.000 108.800 -0.051 0.000 2.420 150 G HA2 -0.392 3.568 3.960 0.000 0.000 0.305 150 G HA3 -0.392 3.568 3.960 0.000 0.000 0.305 150 G C 0.845 175.727 174.900 -0.030 0.000 0.971 150 G CA 1.005 46.084 45.100 -0.035 0.000 0.843 150 G HN 0.772 nan 8.290 nan 0.000 0.512 151 E N -0.105 120.057 120.200 -0.063 0.000 2.368 151 E HA 0.416 4.766 4.350 0.000 0.000 0.188 151 E C 0.846 177.380 176.600 -0.111 0.000 1.061 151 E CA 0.160 56.523 56.400 -0.062 0.000 0.933 151 E CB 0.077 29.747 29.700 -0.050 0.000 1.091 151 E HN 1.483 nan 8.360 nan 0.000 0.458 152 G N 1.336 110.075 108.800 -0.102 0.000 2.542 152 G HA2 -0.014 3.946 3.960 0.000 0.000 0.391 152 G HA3 -0.014 3.946 3.960 0.000 0.000 0.391 152 G C -1.224 173.629 174.900 -0.079 0.000 1.551 152 G CA -1.129 43.926 45.100 -0.076 0.000 0.946 152 G HN 0.146 nan 8.290 nan 0.000 0.662 153 F N 2.475 122.360 119.950 -0.108 0.000 2.569 153 F HA 0.410 4.937 4.527 0.000 0.000 0.395 153 F C 1.014 176.755 175.800 -0.099 0.000 1.028 153 F CA 1.116 59.056 58.000 -0.099 0.000 1.158 153 F CB 0.506 39.478 39.000 -0.046 0.000 1.023 153 F HN 0.848 nan 8.300 nan 0.000 0.547 154 A N 4.821 127.306 122.820 -0.558 0.000 2.301 154 A HA 0.681 5.001 4.320 0.000 0.000 0.312 154 A C -0.145 177.255 177.584 -0.306 0.000 1.182 154 A CA 0.126 51.941 52.037 -0.371 0.000 0.826 154 A CB 0.464 19.011 19.000 -0.754 0.000 1.134 154 A HN 0.786 nan 8.150 nan 0.000 0.501 155 T N -1.286 113.283 114.554 0.025 0.000 2.901 155 T HA 0.553 4.903 4.350 0.000 0.000 0.293 155 T C -0.345 174.462 174.700 0.179 0.000 1.084 155 T CA 0.054 62.212 62.100 0.097 0.000 1.008 155 T CB 1.414 70.407 68.868 0.208 0.000 1.170 155 T HN 0.862 nan 8.240 nan 0.000 0.509 156 D N -0.103 120.398 120.400 0.168 0.000 2.689 156 D HA -0.126 4.514 4.640 0.000 0.000 0.237 156 D C 0.293 176.766 176.300 0.289 0.000 1.148 156 D CA 0.926 55.049 54.000 0.204 0.000 0.656 156 D CB -1.206 39.733 40.800 0.233 0.000 1.050 156 D HN 1.072 nan 8.370 nan 0.000 0.426 157 A N 1.264 124.219 122.820 0.226 0.000 2.304 157 A HA 0.693 5.013 4.320 0.000 0.000 0.271 157 A C 0.563 178.295 177.584 0.246 0.000 1.091 157 A CA 0.599 52.802 52.037 0.278 0.000 0.812 157 A CB 0.807 19.896 19.000 0.148 0.000 1.056 157 A HN 0.512 nan 8.150 nan 0.000 0.489 158 K N 0.307 120.886 120.400 0.298 0.000 2.660 158 K HA 0.496 4.816 4.320 0.000 0.000 0.285 158 K C -1.942 174.792 176.600 0.223 0.000 0.997 158 K CA -0.832 55.594 56.287 0.231 0.000 0.861 158 K CB 0.517 33.161 32.500 0.240 0.000 1.469 158 K HN 0.421 nan 8.250 nan 0.000 0.395 159 L N 2.145 123.428 121.223 0.100 0.000 2.334 159 L HA 0.339 4.679 4.340 0.000 0.000 0.277 159 L C 0.544 177.294 176.870 -0.200 0.000 1.075 159 L CA -0.685 54.154 54.840 -0.001 0.000 0.804 159 L CB 1.721 43.779 42.059 -0.002 0.000 1.174 159 L HN 0.888 nan 8.230 nan 0.000 0.438 160 S N 1.654 117.055 115.700 -0.499 0.000 2.593 160 S HA 0.213 4.683 4.470 0.000 0.000 0.269 160 S C -1.884 172.438 174.600 -0.463 0.000 1.334 160 S CA -1.014 56.536 58.200 -1.083 0.000 1.015 160 S CB 0.874 63.122 63.200 -1.587 0.000 0.912 160 S HN 0.425 nan 8.310 nan 0.000 0.541 161 P HA -0.117 nan 4.420 nan 0.000 0.216 161 P C 0.888 178.134 177.300 -0.090 0.000 1.154 161 P CA 1.333 64.363 63.100 -0.117 0.000 0.865 161 P CB 0.095 31.765 31.700 -0.050 0.000 0.789 162 K N -1.630 118.701 120.400 -0.115 0.000 2.437 162 K HA 0.239 4.559 4.320 0.000 0.000 0.198 162 K C 1.186 177.743 176.600 -0.072 0.000 1.024 162 K CA 0.559 56.808 56.287 -0.063 0.000 1.148 162 K CB -0.769 31.712 32.500 -0.032 0.000 0.860 162 K HN 0.192 nan 8.250 nan 0.000 0.515 163 G N 0.966 109.702 108.800 -0.106 0.000 2.203 163 G HA2 -0.305 3.655 3.960 0.000 0.000 0.263 163 G HA3 -0.305 3.655 3.960 0.000 0.000 0.263 163 G C 0.968 175.806 174.900 -0.105 0.000 1.012 163 G CA 0.574 45.621 45.100 -0.087 0.000 0.749 163 G HN 0.459 nan 8.290 nan 0.000 0.512 164 G N -1.076 107.656 108.800 -0.114 0.000 2.408 164 G HA2 0.402 4.362 3.960 0.000 0.000 0.215 164 G HA3 0.402 4.362 3.960 0.000 0.000 0.215 164 G C 0.507 175.148 174.900 -0.431 0.000 1.156 164 G CA 1.009 45.966 45.100 -0.238 0.000 0.793 164 G HN 0.508 nan 8.290 nan 0.000 0.535 165 F N -2.029 117.829 119.950 -0.153 0.000 2.764 165 F HA 0.728 5.255 4.527 0.000 0.000 0.347 165 F C -0.577 175.219 175.800 -0.006 0.000 1.151 165 F CA -1.462 56.531 58.000 -0.013 0.000 1.021 165 F CB 1.713 40.809 39.000 0.161 0.000 1.438 165 F HN -0.235 nan 8.300 nan 0.000 0.516 166 V N 0.980 121.132 119.914 0.397 0.000 2.569 166 V HA 0.522 4.642 4.120 0.000 0.000 0.301 166 V C -0.733 175.654 176.094 0.489 0.000 1.044 166 V CA -0.848 61.658 62.300 0.344 0.000 0.874 166 V CB 1.540 33.521 31.823 0.263 0.000 1.002 166 V HN 0.843 nan 8.190 nan 0.000 0.424 167 S N 4.688 120.720 115.700 0.554 0.000 2.690 167 S HA 1.004 5.474 4.470 0.000 0.000 0.291 167 S C -0.734 174.125 174.600 0.431 0.000 1.138 167 S CA -0.562 57.885 58.200 0.412 0.000 1.013 167 S CB 2.184 65.668 63.200 0.472 0.000 1.053 167 S HN 1.212 nan 8.310 nan 0.000 0.539 168 F N -1.830 118.166 119.950 0.077 0.000 2.842 168 F HA 0.628 5.155 4.527 0.000 0.000 0.319 168 F C -2.238 173.560 175.800 -0.003 0.000 1.159 168 F CA -1.549 56.487 58.000 0.059 0.000 0.902 168 F CB 0.573 39.589 39.000 0.025 0.000 1.311 168 F HN 0.421 nan 8.300 nan 0.000 0.453 169 I N 2.718 123.459 120.570 0.285 0.000 2.362 169 I HA 0.507 4.677 4.170 0.000 0.000 0.289 169 I C -0.510 175.754 176.117 0.245 0.000 0.994 169 I CA -0.453 60.952 61.300 0.176 0.000 1.158 169 I CB 1.377 39.468 38.000 0.151 0.000 1.315 169 I HN 0.738 nan 8.210 nan 0.000 0.451 170 R N 3.858 124.452 120.500 0.157 0.000 2.476 170 R HA 0.470 4.810 4.340 0.000 0.000 0.305 170 R C 0.380 176.762 176.300 0.137 0.000 0.965 170 R CA -0.232 55.868 56.100 0.001 0.000 0.867 170 R CB 1.642 31.601 30.300 -0.569 0.000 1.176 170 R HN 0.887 nan 8.270 nan 0.000 0.447 171 G N 4.428 113.304 108.800 0.126 0.000 2.366 171 G HA2 -0.326 3.634 3.960 0.000 0.000 0.299 171 G HA3 -0.326 3.634 3.960 0.000 0.000 0.299 171 G C 0.352 175.345 174.900 0.155 0.000 1.020 171 G CA 0.850 46.036 45.100 0.142 0.000 1.026 171 G HN 0.939 nan 8.290 nan 0.000 0.512 172 R N -2.128 118.457 120.500 0.142 0.000 3.863 172 R HA -0.188 4.152 4.340 0.000 0.000 0.313 172 R C 0.195 176.559 176.300 0.106 0.000 1.202 172 R CA 1.486 57.658 56.100 0.120 0.000 0.852 172 R CB -1.539 28.823 30.300 0.103 0.000 1.292 172 R HN 0.614 nan 8.270 nan 0.000 0.519 173 N N 0.409 119.198 118.700 0.149 0.000 2.292 173 N HA 0.267 5.007 4.740 0.000 0.000 0.303 173 N C -0.908 174.624 175.510 0.036 0.000 1.140 173 N CA -0.804 52.287 53.050 0.068 0.000 0.788 173 N CB 1.555 40.102 38.487 0.100 0.000 1.361 173 N HN -0.068 nan 8.380 nan 0.000 0.489 174 L N 1.918 122.989 121.223 -0.253 0.000 2.313 174 L HA 0.394 4.734 4.340 0.000 0.000 0.282 174 L C -1.185 175.393 176.870 -0.487 0.000 1.092 174 L CA -0.064 54.522 54.840 -0.424 0.000 0.831 174 L CB -0.177 41.476 42.059 -0.676 0.000 1.159 174 L HN 0.433 nan 8.230 nan 0.000 0.442 175 W N 4.301 125.184 121.300 -0.695 0.000 2.736 175 W HA 0.777 5.437 4.660 0.000 0.000 0.355 175 W C -0.646 175.404 176.519 -0.781 0.000 1.102 175 W CA -0.542 56.330 57.345 -0.790 0.000 1.164 175 W CB 1.773 30.503 29.460 -1.216 0.000 1.422 175 W HN 0.373 nan 8.180 nan 0.000 0.572 176 V N 2.891 122.664 119.914 -0.236 0.000 3.048 176 V HA 0.598 4.718 4.120 0.000 0.000 0.303 176 V C -1.529 174.703 176.094 0.229 0.000 1.214 176 V CA -1.040 61.258 62.300 -0.004 0.000 0.984 176 V CB 1.922 33.724 31.823 -0.035 0.000 1.054 176 V HN 0.443 nan 8.190 nan 0.000 0.430 177 I N 3.849 124.655 120.570 0.394 0.000 2.465 177 I HA 0.420 4.590 4.170 0.000 0.000 0.291 177 I C -1.069 175.293 176.117 0.407 0.000 1.014 177 I CA -0.555 60.974 61.300 0.382 0.000 1.093 177 I CB 1.969 40.179 38.000 0.350 0.000 1.267 177 I HN 0.597 nan 8.210 nan 0.000 0.431 178 D N 6.900 127.468 120.400 0.279 0.000 2.422 178 D HA 0.174 4.814 4.640 0.000 0.000 0.227 178 D C 1.108 177.365 176.300 -0.072 0.000 1.190 178 D CA -0.038 53.970 54.000 0.013 0.000 0.905 178 D CB 0.849 41.676 40.800 0.045 0.000 1.034 178 D HN 0.463 nan 8.370 nan 0.000 0.507 179 L N 2.631 123.773 121.223 -0.135 0.000 2.270 179 L HA -0.240 4.100 4.340 0.000 0.000 0.217 179 L C 2.227 179.044 176.870 -0.089 0.000 1.107 179 L CA 1.140 55.933 54.840 -0.079 0.000 0.772 179 L CB -0.359 41.647 42.059 -0.089 0.000 0.902 179 L HN 0.403 nan 8.230 nan 0.000 0.439 180 A N 0.345 123.078 122.820 -0.146 0.000 1.825 180 A HA -0.191 4.129 4.320 0.000 0.000 0.214 180 A C 2.479 180.034 177.584 -0.049 0.000 1.206 180 A CA 1.922 53.898 52.037 -0.102 0.000 0.609 180 A CB -0.752 18.171 19.000 -0.129 0.000 0.851 180 A HN 0.472 nan 8.150 nan 0.000 0.445 181 S N -2.005 113.674 115.700 -0.035 0.000 2.470 181 S HA 0.345 4.815 4.470 0.000 0.000 0.225 181 S C 1.529 176.144 174.600 0.024 0.000 1.006 181 S CA 1.205 59.406 58.200 0.001 0.000 0.934 181 S CB -0.236 62.972 63.200 0.014 0.000 0.778 181 S HN 2.061 nan 8.310 nan 0.000 0.517 182 G N 1.612 110.431 108.800 0.032 0.000 2.143 182 G HA2 -0.330 3.630 3.960 0.000 0.000 0.249 182 G HA3 -0.330 3.630 3.960 0.000 0.000 0.249 182 G C 0.082 175.043 174.900 0.102 0.000 0.981 182 G CA 0.203 45.343 45.100 0.066 0.000 0.665 182 G HN 0.822 nan 8.290 nan 0.000 0.528 183 R N 0.605 121.165 120.500 0.100 0.000 2.438 183 R HA 0.466 4.806 4.340 0.000 0.000 0.287 183 R C 0.186 176.594 176.300 0.181 0.000 1.077 183 R CA -0.152 56.022 56.100 0.124 0.000 1.034 183 R CB 0.336 30.695 30.300 0.099 0.000 0.993 183 R HN 0.396 nan 8.270 nan 0.000 0.459 184 Q N 3.995 123.921 119.800 0.209 0.000 2.257 184 Q HA 0.309 4.649 4.340 0.000 0.000 0.255 184 Q C -0.763 175.372 176.000 0.226 0.000 0.920 184 Q CA -0.197 55.787 55.803 0.302 0.000 0.927 184 Q CB 2.036 31.017 28.738 0.406 0.000 1.229 184 Q HN 0.528 nan 8.270 nan 0.000 0.433 185 M N 2.222 121.915 119.600 0.156 0.000 2.263 185 M HA 0.258 4.738 4.480 0.000 0.000 0.295 185 M C -0.908 175.153 176.300 -0.398 0.000 1.028 185 M CA -0.474 54.782 55.300 -0.074 0.000 0.921 185 M CB 2.479 35.053 32.600 -0.045 0.000 1.601 185 M HN 0.452 nan 8.290 nan 0.000 0.440 186 Q N 2.363 121.710 119.800 -0.754 0.000 2.296 186 Q HA 0.264 4.604 4.340 0.000 0.000 0.257 186 Q C -0.291 175.271 176.000 -0.729 0.000 0.942 186 Q CA -0.379 54.631 55.803 -1.323 0.000 0.939 186 Q CB 1.048 28.879 28.738 -1.511 0.000 1.198 186 Q HN 0.724 nan 8.270 nan 0.000 0.429 187 L N 2.782 123.595 121.223 -0.683 0.000 2.354 187 L HA 0.122 4.462 4.340 0.000 0.000 0.212 187 L C 0.902 177.527 176.870 -0.408 0.000 1.091 187 L CA 0.960 55.513 54.840 -0.478 0.000 0.828 187 L CB 0.013 41.776 42.059 -0.494 0.000 0.973 187 L HN 0.732 nan 8.230 nan 0.000 0.461 188 T N -5.297 108.997 114.554 -0.433 0.000 2.906 188 T HA 0.744 5.094 4.350 0.000 0.000 0.295 188 T C 0.260 174.834 174.700 -0.209 0.000 1.061 188 T CA -0.138 61.798 62.100 -0.273 0.000 1.000 188 T CB 2.474 71.177 68.868 -0.276 0.000 1.103 188 T HN -0.087 nan 8.240 nan 0.000 0.486 189 A N 0.811 123.572 122.820 -0.099 0.000 2.226 189 A HA 0.279 4.599 4.320 0.000 0.000 0.207 189 A C 1.320 178.904 177.584 -0.000 0.000 1.293 189 A CA 0.457 52.460 52.037 -0.056 0.000 0.968 189 A CB -0.089 18.880 19.000 -0.052 0.000 1.044 189 A HN 0.861 nan 8.150 nan 0.000 0.493 190 D N 1.138 121.550 120.400 0.020 0.000 2.355 190 D HA 0.145 4.785 4.640 0.000 0.000 0.253 190 D C 0.811 177.140 176.300 0.048 0.000 1.187 190 D CA 0.404 54.427 54.000 0.038 0.000 0.900 190 D CB -1.083 39.747 40.800 0.049 0.000 0.915 190 D HN 0.238 nan 8.370 nan 0.000 0.516 191 G N -0.305 108.525 108.800 0.050 0.000 2.313 191 G HA2 0.341 4.301 3.960 0.000 0.000 0.250 191 G HA3 0.341 4.301 3.960 0.000 0.000 0.250 191 G C -0.148 174.789 174.900 0.063 0.000 1.281 191 G CA -0.190 44.950 45.100 0.066 0.000 0.917 191 G HN 0.218 nan 8.290 nan 0.000 0.501 192 S N 0.586 116.323 115.700 0.061 0.000 2.998 192 S HA 0.478 4.948 4.470 0.000 0.000 0.323 192 S C 1.338 175.969 174.600 0.051 0.000 1.141 192 S CA -0.406 57.825 58.200 0.051 0.000 0.873 192 S CB 1.238 64.462 63.200 0.040 0.000 1.315 192 S HN 0.485 nan 8.310 nan 0.000 0.637 193 T N 1.952 116.531 114.554 0.041 0.000 3.088 193 T HA 0.046 4.396 4.350 0.000 0.000 0.259 193 T C 1.430 176.154 174.700 0.039 0.000 1.122 193 T CA 1.424 63.546 62.100 0.038 0.000 1.095 193 T CB -0.327 68.558 68.868 0.027 0.000 0.930 193 T HN 0.787 nan 8.240 nan 0.000 0.508 194 T N -1.608 112.969 114.554 0.039 0.000 2.975 194 T HA 0.384 4.734 4.350 0.000 0.000 0.261 194 T C 0.290 175.019 174.700 0.047 0.000 0.984 194 T CA -0.369 61.754 62.100 0.038 0.000 0.911 194 T CB 0.362 69.245 68.868 0.026 0.000 1.127 194 T HN 0.055 nan 8.240 nan 0.000 0.514 195 I N 2.510 123.111 120.570 0.053 0.000 2.362 195 I HA 0.654 4.824 4.170 0.000 0.000 0.289 195 I C 0.336 176.503 176.117 0.083 0.000 0.994 195 I CA -0.879 60.459 61.300 0.065 0.000 1.158 195 I CB 0.975 39.009 38.000 0.057 0.000 1.315 195 I HN 0.302 nan 8.210 nan 0.000 0.451 196 G N 6.048 114.909 108.800 0.102 0.000 2.530 196 G HA2 0.488 4.448 3.960 0.000 0.000 0.316 196 G HA3 0.488 4.448 3.960 0.000 0.000 0.316 196 G C -0.733 174.252 174.900 0.143 0.000 1.298 196 G CA -0.554 44.614 45.100 0.114 0.000 0.948 196 G HN 0.542 nan 8.290 nan 0.000 0.486 197 N N 0.692 119.461 118.700 0.116 0.000 2.417 197 N HA 0.449 5.189 4.740 0.000 0.000 0.274 197 N C 0.818 176.366 175.510 0.064 0.000 0.987 197 N CA 0.427 53.548 53.050 0.118 0.000 0.912 197 N CB 1.924 40.394 38.487 -0.029 0.000 1.177 197 N HN 1.112 nan 8.380 nan 0.000 0.490 198 G N 1.734 110.644 108.800 0.182 0.000 2.176 198 G HA2 -0.234 3.726 3.960 0.000 0.000 0.252 198 G HA3 -0.234 3.726 3.960 0.000 0.000 0.252 198 G C 0.044 175.036 174.900 0.154 0.000 1.024 198 G CA 0.612 45.802 45.100 0.150 0.000 0.755 198 G HN 0.678 nan 8.290 nan 0.000 0.507 199 I N -3.215 117.441 120.570 0.142 0.000 2.785 199 I HA 0.899 5.069 4.170 0.000 0.000 0.302 199 I C 0.201 176.393 176.117 0.126 0.000 1.069 199 I CA -1.316 60.062 61.300 0.130 0.000 1.045 199 I CB 2.229 40.310 38.000 0.135 0.000 1.236 199 I HN 0.395 nan 8.210 nan 0.000 0.429 200 A N 4.113 127.001 122.820 0.114 0.000 2.328 200 A HA 0.408 4.728 4.320 0.000 0.000 0.284 200 A C 0.320 177.983 177.584 0.132 0.000 1.160 200 A CA -0.511 51.596 52.037 0.117 0.000 0.818 200 A CB 0.312 19.365 19.000 0.089 0.000 1.087 200 A HN 0.830 nan 8.150 nan 0.000 0.504 201 E N 2.632 122.916 120.200 0.140 0.000 2.409 201 E HA -0.022 4.328 4.350 0.000 0.000 0.257 201 E C 0.550 177.256 176.600 0.176 0.000 1.150 201 E CA -0.338 56.162 56.400 0.167 0.000 0.942 201 E CB 0.205 30.006 29.700 0.168 0.000 0.979 201 E HN 0.537 nan 8.360 nan 0.000 0.447 202 F N 2.197 122.191 119.950 0.074 0.000 2.032 202 F HA -0.323 4.204 4.527 0.000 0.000 0.297 202 F C 2.146 177.970 175.800 0.041 0.000 1.125 202 F CA 3.181 61.220 58.000 0.065 0.000 1.202 202 F CB -0.807 38.231 39.000 0.062 0.000 0.958 202 F HN 0.350 nan 8.300 nan 0.000 0.491 203 V N -0.551 119.345 119.914 -0.029 0.000 2.568 203 V HA -0.160 3.960 4.120 0.000 0.000 0.253 203 V C 2.318 178.280 176.094 -0.220 0.000 1.072 203 V CA 1.579 63.772 62.300 -0.179 0.000 1.084 203 V CB -2.121 29.735 31.823 0.054 0.000 0.676 203 V HN 0.511 nan 8.190 nan 0.000 0.469 204 A N 0.832 123.586 122.820 -0.109 0.000 1.855 204 A HA -0.233 4.087 4.320 0.000 0.000 0.215 204 A C 2.051 179.534 177.584 -0.168 0.000 1.191 204 A CA 2.041 54.004 52.037 -0.123 0.000 0.613 204 A CB -0.934 18.067 19.000 0.002 0.000 0.829 204 A HN 0.601 nan 8.150 nan 0.000 0.442 205 D N -0.955 119.381 120.400 -0.107 0.000 2.178 205 D HA -0.099 4.541 4.640 0.000 0.000 0.202 205 D C 1.854 178.141 176.300 -0.022 0.000 0.974 205 D CA 1.195 55.192 54.000 -0.005 0.000 0.841 205 D CB 0.016 40.866 40.800 0.083 0.000 0.953 205 D HN 0.395 nan 8.370 nan 0.000 0.478 206 E N -0.330 119.721 120.200 -0.248 0.000 2.166 206 E HA 0.001 4.351 4.350 0.000 0.000 0.192 206 E C 1.419 177.936 176.600 -0.138 0.000 0.967 206 E CA 0.674 56.920 56.400 -0.258 0.000 0.840 206 E CB 0.278 29.599 29.700 -0.633 0.000 0.795 206 E HN 0.411 nan 8.360 nan 0.000 0.470 207 E N -0.846 119.233 120.200 -0.201 0.000 2.508 207 E HA 0.210 4.560 4.350 0.000 0.000 0.217 207 E C 1.562 177.972 176.600 -0.316 0.000 0.896 207 E CA 0.108 56.411 56.400 -0.160 0.000 1.118 207 E CB 0.445 30.074 29.700 -0.119 0.000 1.133 207 E HN 0.171 nan 8.360 nan 0.000 0.526 208 M N 0.546 119.902 119.600 -0.407 0.000 2.371 208 M HA 0.087 4.567 4.480 0.000 0.000 0.246 208 M C -0.151 175.998 176.300 -0.252 0.000 1.103 208 M CA 0.159 55.208 55.300 -0.418 0.000 1.010 208 M CB 0.315 32.633 32.600 -0.470 0.000 1.457 208 M HN -0.169 nan 8.290 nan 0.000 0.486 209 D N 1.859 122.123 120.400 -0.227 0.000 3.059 209 D HA -0.191 4.449 4.640 0.000 0.000 0.220 209 D C -0.015 175.931 176.300 -0.589 0.000 1.169 209 D CA 0.893 54.736 54.000 -0.262 0.000 0.902 209 D CB -0.388 40.375 40.800 -0.061 0.000 1.116 209 D HN 0.354 nan 8.370 nan 0.000 0.417 210 R N -0.002 120.174 120.500 -0.540 0.000 2.265 210 R HA 0.287 4.627 4.340 0.000 0.000 0.328 210 R C 0.283 176.302 176.300 -0.469 0.000 0.969 210 R CA -0.468 55.412 56.100 -0.367 0.000 0.832 210 R CB 0.552 30.807 30.300 -0.075 0.000 1.139 210 R HN 0.175 nan 8.270 nan 0.000 0.457 211 H N 1.370 120.479 119.070 0.065 0.000 2.528 211 H HA 0.170 4.726 4.556 0.000 0.000 0.282 211 H C -0.093 175.244 175.328 0.015 0.000 1.097 211 H CA -0.033 56.039 56.048 0.040 0.000 1.121 211 H CB 1.116 30.902 29.762 0.039 0.000 1.590 211 H HN 0.421 nan 8.280 nan 0.000 0.553 212 T N -1.187 113.383 114.554 0.027 0.000 2.843 212 T HA 0.511 4.861 4.350 0.000 0.000 0.302 212 T C 0.418 174.983 174.700 -0.225 0.000 1.232 212 T CA -0.144 61.878 62.100 -0.129 0.000 1.009 212 T CB 1.783 70.451 68.868 -0.333 0.000 1.254 212 T HN 0.204 nan 8.240 nan 0.000 0.504 213 G N 1.177 109.774 108.800 -0.337 0.000 3.695 213 G HA2 0.446 4.406 3.960 0.000 0.000 0.277 213 G HA3 0.446 4.406 3.960 0.000 0.000 0.277 213 G C -0.759 173.785 174.900 -0.594 0.000 1.001 213 G CA -0.194 44.724 45.100 -0.302 0.000 0.837 213 G HN 0.782 nan 8.290 nan 0.000 0.492 214 Y N -1.980 117.587 120.300 -1.222 0.000 2.513 214 Y HA 0.747 5.297 4.550 0.000 0.000 0.340 214 Y C -1.888 173.494 175.900 -0.865 0.000 1.055 214 Y CA -2.876 54.763 58.100 -0.770 0.000 1.020 214 Y CB 1.137 39.431 38.460 -0.277 0.000 1.301 214 Y HN -0.008 nan 8.280 nan 0.000 0.453 215 W N 3.496 124.936 121.300 0.234 0.000 2.781 215 W HA 0.267 4.927 4.660 0.000 0.000 0.333 215 W C -1.458 175.370 176.519 0.515 0.000 1.047 215 W CA -1.401 56.126 57.345 0.303 0.000 1.236 215 W CB 1.517 31.190 29.460 0.354 0.000 1.394 215 W HN 0.704 nan 8.180 nan 0.000 0.466 216 W N 1.767 123.346 121.300 0.465 0.000 2.170 216 W HA 0.407 5.067 4.660 0.000 0.000 0.336 216 W C 0.626 177.031 176.519 -0.189 0.000 1.283 216 W CA 0.087 57.556 57.345 0.208 0.000 1.224 216 W CB 0.690 30.219 29.460 0.114 0.000 1.132 216 W HN 0.326 nan 8.180 nan 0.000 0.571 217 A N 4.882 127.472 122.820 -0.383 0.000 2.354 217 A HA 0.289 4.609 4.320 0.000 0.000 0.269 217 A C -1.567 175.765 177.584 -0.421 0.000 1.109 217 A CA -1.157 50.078 52.037 -1.338 0.000 0.800 217 A CB 0.241 18.383 19.000 -1.430 0.000 1.045 217 A HN 0.538 nan 8.150 nan 0.000 0.489 218 P HA -0.212 nan 4.420 nan 0.000 0.217 218 P C 0.933 178.195 177.300 -0.064 0.000 1.151 218 P CA 1.559 64.614 63.100 -0.075 0.000 0.849 218 P CB 0.237 31.931 31.700 -0.010 0.000 0.787 219 D N -1.526 118.810 120.400 -0.107 0.000 2.117 219 D HA -0.178 4.462 4.640 0.000 0.000 0.197 219 D C 0.611 176.912 176.300 0.001 0.000 0.987 219 D CA 1.445 55.414 54.000 -0.051 0.000 0.829 219 D CB -0.256 40.500 40.800 -0.074 0.000 0.961 219 D HN -0.046 nan 8.370 nan 0.000 0.460 220 D N -2.379 118.042 120.400 0.035 0.000 2.802 220 D HA -0.149 4.491 4.640 0.000 0.000 0.191 220 D C 1.141 177.577 176.300 0.227 0.000 0.962 220 D CA 1.143 55.240 54.000 0.161 0.000 1.004 220 D CB -1.621 39.241 40.800 0.103 0.000 1.055 220 D HN 0.280 nan 8.370 nan 0.000 0.451 221 S N -1.170 114.576 115.700 0.076 0.000 2.522 221 S HA 0.487 4.957 4.470 0.000 0.000 0.227 221 S C 0.855 175.450 174.600 -0.008 0.000 0.986 221 S CA 0.926 59.148 58.200 0.036 0.000 0.929 221 S CB 0.587 63.783 63.200 -0.008 0.000 0.769 221 S HN 0.793 nan 8.310 nan 0.000 0.529 222 A N 0.033 122.828 122.820 -0.041 0.000 2.511 222 A HA 0.751 5.071 4.320 0.000 0.000 0.293 222 A C -1.803 175.696 177.584 -0.140 0.000 1.098 222 A CA -0.944 51.042 52.037 -0.084 0.000 0.643 222 A CB 0.496 19.503 19.000 0.013 0.000 1.302 222 A HN 0.356 nan 8.150 nan 0.000 0.446 223 I N 0.134 120.664 120.570 -0.067 0.000 2.571 223 I HA 0.571 4.741 4.170 0.000 0.000 0.289 223 I C 0.200 176.508 176.117 0.319 0.000 1.115 223 I CA -0.613 60.669 61.300 -0.030 0.000 1.045 223 I CB 2.013 39.722 38.000 -0.484 0.000 1.238 223 I HN 0.896 nan 8.210 nan 0.000 0.424 224 A N 6.182 129.354 122.820 0.587 0.000 2.310 224 A HA 0.828 5.148 4.320 0.000 0.000 0.299 224 A C -1.223 176.681 177.584 0.533 0.000 1.147 224 A CA -0.162 52.116 52.037 0.401 0.000 0.818 224 A CB 0.640 19.757 19.000 0.195 0.000 1.096 224 A HN 0.713 nan 8.150 nan 0.000 0.495 225 Y N -1.139 119.297 120.300 0.227 0.000 2.581 225 Y HA 0.731 5.281 4.550 0.000 0.000 0.337 225 Y C -0.310 175.732 175.900 0.236 0.000 1.108 225 Y CA -0.981 57.261 58.100 0.237 0.000 1.033 225 Y CB 0.877 39.366 38.460 0.049 0.000 1.318 225 Y HN 0.885 nan 8.280 nan 0.000 0.459 226 A N 3.542 126.596 122.820 0.389 0.000 2.303 226 A HA 0.780 5.100 4.320 0.000 0.000 0.317 226 A C -0.662 177.119 177.584 0.330 0.000 1.149 226 A CA -0.993 51.209 52.037 0.275 0.000 0.822 226 A CB 0.955 20.146 19.000 0.317 0.000 1.131 226 A HN 0.860 nan 8.150 nan 0.000 0.493 227 R N 2.686 123.350 120.500 0.273 0.000 2.388 227 R HA 0.542 4.882 4.340 0.000 0.000 0.314 227 R C -1.072 175.331 176.300 0.171 0.000 0.959 227 R CA -0.431 55.846 56.100 0.294 0.000 0.851 227 R CB 0.568 31.107 30.300 0.399 0.000 1.168 227 R HN 0.809 nan 8.270 nan 0.000 0.472 228 I N 0.426 121.086 120.570 0.149 0.000 2.392 228 I HA 0.507 4.677 4.170 0.000 0.000 0.295 228 I C -0.876 175.287 176.117 0.077 0.000 0.985 228 I CA -0.751 60.611 61.300 0.105 0.000 1.221 228 I CB 1.856 39.927 38.000 0.117 0.000 1.366 228 I HN 0.430 nan 8.210 nan 0.000 0.467 229 D N 4.714 125.142 120.400 0.047 0.000 2.425 229 D HA 0.249 4.889 4.640 0.000 0.000 0.240 229 D C 0.116 176.435 176.300 0.031 0.000 1.080 229 D CA -0.316 53.701 54.000 0.029 0.000 0.836 229 D CB 1.645 42.444 40.800 -0.001 0.000 1.125 229 D HN 0.682 nan 8.370 nan 0.000 0.525 230 E N 1.186 121.409 120.200 0.038 0.000 2.474 230 E HA -0.023 4.327 4.350 0.000 0.000 0.195 230 E C 1.669 178.283 176.600 0.024 0.000 1.039 230 E CA 0.079 56.502 56.400 0.039 0.000 0.881 230 E CB 0.349 30.080 29.700 0.052 0.000 0.970 230 E HN 0.495 nan 8.360 nan 0.000 0.486 231 S N 1.782 117.491 115.700 0.016 0.000 2.402 231 S HA -0.133 4.337 4.470 0.000 0.000 0.233 231 S C -0.716 173.887 174.600 0.004 0.000 1.030 231 S CA 0.823 59.028 58.200 0.008 0.000 1.003 231 S CB -1.422 61.779 63.200 0.002 0.000 0.813 231 S HN 0.163 nan 8.310 nan 0.000 0.477 232 P HA 0.177 nan 4.420 nan 0.000 0.225 232 P C -0.034 177.267 177.300 0.002 0.000 1.156 232 P CA 0.346 63.444 63.100 -0.004 0.000 0.787 232 P CB -0.104 31.589 31.700 -0.012 0.000 0.802 233 V N 1.816 121.736 119.914 0.010 0.000 2.555 233 V HA 0.152 4.273 4.120 0.000 0.000 0.286 233 V C -2.071 174.033 176.094 0.017 0.000 1.044 233 V CA -1.786 60.523 62.300 0.015 0.000 1.026 233 V CB 0.322 32.159 31.823 0.024 0.000 0.981 233 V HN -0.030 nan 8.190 nan 0.000 0.480 234 P HA 0.083 nan 4.420 nan 0.000 0.268 234 P C -0.479 176.837 177.300 0.027 0.000 1.205 234 P CA 0.119 63.234 63.100 0.025 0.000 0.771 234 P CB 0.665 32.387 31.700 0.037 0.000 0.858 235 V N 3.830 123.752 119.914 0.013 0.000 2.546 235 V HA 0.215 4.335 4.120 0.000 0.000 0.284 235 V C -0.240 175.847 176.094 -0.011 0.000 1.050 235 V CA -0.094 62.205 62.300 -0.002 0.000 0.981 235 V CB 0.908 32.725 31.823 -0.010 0.000 0.990 235 V HN 0.461 nan 8.190 nan 0.000 0.474 236 Q N 5.546 125.323 119.800 -0.038 0.000 2.333 236 Q HA 0.427 4.767 4.340 0.000 0.000 0.267 236 Q C -1.122 174.799 176.000 -0.132 0.000 1.012 236 Q CA -0.916 54.842 55.803 -0.076 0.000 0.824 236 Q CB 1.560 30.228 28.738 -0.116 0.000 1.290 236 Q HN 0.646 nan 8.270 nan 0.000 0.449 237 K N 3.420 123.735 120.400 -0.143 0.000 2.201 237 K HA 0.371 4.691 4.320 0.000 0.000 0.278 237 K C -0.616 175.776 176.600 -0.347 0.000 1.027 237 K CA -0.409 55.718 56.287 -0.266 0.000 0.909 237 K CB 1.571 33.931 32.500 -0.234 0.000 1.062 237 K HN 0.534 nan 8.250 nan 0.000 0.465 238 R N 2.634 122.867 120.500 -0.444 0.000 2.513 238 R HA 0.256 4.596 4.340 0.000 0.000 0.301 238 R C -1.343 174.708 176.300 -0.415 0.000 0.968 238 R CA -0.542 55.364 56.100 -0.324 0.000 0.872 238 R CB 0.760 30.934 30.300 -0.209 0.000 1.177 238 R HN 0.456 nan 8.270 nan 0.000 0.444 239 Y N 2.376 122.665 120.300 -0.018 0.000 2.434 239 Y HA 0.248 4.798 4.550 0.000 0.000 0.341 239 Y C -0.120 175.768 175.900 -0.021 0.000 0.965 239 Y CA -0.552 57.545 58.100 -0.004 0.000 1.205 239 Y CB 1.413 39.877 38.460 0.006 0.000 1.121 239 Y HN 0.390 nan 8.280 nan 0.000 0.507 240 E N 3.162 123.412 120.200 0.082 0.000 2.089 240 E HA 0.319 4.669 4.350 0.000 0.000 0.284 240 E C -0.895 175.639 176.600 -0.110 0.000 1.023 240 E CA -0.571 55.800 56.400 -0.048 0.000 0.819 240 E CB 1.271 30.967 29.700 -0.006 0.000 1.076 240 E HN 0.307 nan 8.360 nan 0.000 0.396 241 V N 4.947 124.718 119.914 -0.239 0.000 2.406 241 V HA 0.179 4.299 4.120 0.000 0.000 0.272 241 V C -0.428 175.421 176.094 -0.407 0.000 1.043 241 V CA -0.354 61.822 62.300 -0.207 0.000 0.915 241 V CB -0.439 31.274 31.823 -0.183 0.000 0.988 241 V HN 0.548 nan 8.190 nan 0.000 0.466 242 Y N 2.094 122.377 120.300 -0.029 0.000 2.618 242 Y HA 0.579 5.129 4.550 0.000 0.000 0.326 242 Y C 1.572 177.452 175.900 -0.034 0.000 1.168 242 Y CA -0.136 57.947 58.100 -0.028 0.000 1.269 242 Y CB 1.171 39.623 38.460 -0.014 0.000 1.388 242 Y HN 0.535 nan 8.280 nan 0.000 0.528 243 A N 0.255 123.160 122.820 0.142 0.000 1.948 243 A HA -0.211 4.109 4.320 0.000 0.000 0.220 243 A C 1.349 178.960 177.584 0.045 0.000 1.177 243 A CA 2.451 54.521 52.037 0.054 0.000 0.636 243 A CB -0.656 18.371 19.000 0.045 0.000 0.815 243 A HN 0.844 nan 8.150 nan 0.000 0.449 244 D N -2.183 118.259 120.400 0.071 0.000 2.520 244 D HA 0.113 4.753 4.640 0.000 0.000 0.223 244 D C 0.618 176.950 176.300 0.053 0.000 1.186 244 D CA 0.101 54.127 54.000 0.044 0.000 0.821 244 D CB -0.026 40.789 40.800 0.025 0.000 1.072 244 D HN 0.707 nan 8.370 nan 0.000 0.518 245 R N -1.015 119.544 120.500 0.097 0.000 2.846 245 R HA 0.723 5.063 4.340 0.000 0.000 0.263 245 R C -1.432 174.964 176.300 0.159 0.000 1.080 245 R CA -0.703 55.456 56.100 0.098 0.000 0.961 245 R CB 0.942 31.280 30.300 0.064 0.000 1.231 245 R HN -0.219 nan 8.270 nan 0.000 0.465 246 T N 0.941 115.584 114.554 0.147 0.000 3.050 246 T HA 0.267 4.617 4.350 0.000 0.000 0.310 246 T C -1.647 173.163 174.700 0.184 0.000 0.978 246 T CA -0.738 61.467 62.100 0.175 0.000 1.013 246 T CB 1.271 70.214 68.868 0.125 0.000 1.000 246 T HN 0.444 nan 8.240 nan 0.000 0.447 247 D N 1.866 122.402 120.400 0.226 0.000 2.225 247 D HA 0.521 5.161 4.640 0.000 0.000 0.249 247 D C -0.223 176.136 176.300 0.099 0.000 1.052 247 D CA -0.330 53.763 54.000 0.154 0.000 0.909 247 D CB 1.642 42.550 40.800 0.179 0.000 1.186 247 D HN 0.196 nan 8.370 nan 0.000 0.431 248 V N 2.784 122.710 119.914 0.019 0.000 2.448 248 V HA 0.481 4.601 4.120 0.000 0.000 0.295 248 V C 0.120 176.135 176.094 -0.132 0.000 1.025 248 V CA -0.689 61.532 62.300 -0.132 0.000 0.859 248 V CB 1.424 33.181 31.823 -0.110 0.000 0.988 248 V HN 0.363 nan 8.190 nan 0.000 0.431 249 I N 3.642 124.095 120.570 -0.196 0.000 2.498 249 I HA 0.499 4.669 4.170 0.000 0.000 0.290 249 I C -0.207 175.809 176.117 -0.168 0.000 1.032 249 I CA -0.520 60.699 61.300 -0.135 0.000 1.073 249 I CB 2.361 40.306 38.000 -0.092 0.000 1.251 249 I HN 0.581 nan 8.210 nan 0.000 0.426 250 E N 5.797 125.925 120.200 -0.120 0.000 2.202 250 E HA 0.563 4.913 4.350 0.000 0.000 0.272 250 E C -1.117 175.430 176.600 -0.087 0.000 0.951 250 E CA -0.698 55.637 56.400 -0.109 0.000 0.813 250 E CB 2.237 31.891 29.700 -0.077 0.000 1.151 250 E HN 0.567 nan 8.360 nan 0.000 0.398 251 Q N 1.506 121.253 119.800 -0.088 0.000 2.503 251 Q HA 0.306 4.646 4.340 0.000 0.000 0.268 251 Q C -1.156 174.811 176.000 -0.054 0.000 0.982 251 Q CA -1.071 54.687 55.803 -0.076 0.000 0.907 251 Q CB 0.901 29.567 28.738 -0.120 0.000 1.467 251 Q HN 0.209 nan 8.270 nan 0.000 0.394 252 R N 2.361 122.845 120.500 -0.027 0.000 2.399 252 R HA 0.170 4.510 4.340 0.000 0.000 0.324 252 R C -1.302 174.992 176.300 -0.009 0.000 1.030 252 R CA 0.123 56.224 56.100 0.001 0.000 0.984 252 R CB -0.411 29.901 30.300 0.020 0.000 0.961 252 R HN 0.693 nan 8.270 nan 0.000 0.433 253 Y N 5.079 125.288 120.300 -0.151 0.000 2.322 253 Y HA 0.310 4.860 4.550 0.000 0.000 0.324 253 Y C -2.315 173.546 175.900 -0.064 0.000 1.027 253 Y CA -2.383 55.592 58.100 -0.208 0.000 1.179 253 Y CB 2.108 40.382 38.460 -0.309 0.000 1.136 253 Y HN 0.419 nan 8.280 nan 0.000 0.449 254 P HA 0.316 nan 4.420 nan 0.000 0.280 254 P C -0.613 176.542 177.300 -0.240 0.000 1.386 254 P CA 0.211 63.218 63.100 -0.155 0.000 0.899 254 P CB 1.067 32.738 31.700 -0.048 0.000 1.098 255 A N 4.279 127.067 122.820 -0.053 0.000 2.249 255 A HA 0.626 4.946 4.320 0.000 0.000 0.281 255 A C 0.475 178.113 177.584 0.090 0.000 1.127 255 A CA -0.462 51.611 52.037 0.060 0.000 0.833 255 A CB -0.122 19.007 19.000 0.214 0.000 1.140 255 A HN 0.574 nan 8.150 nan 0.000 0.502 256 A N -1.178 121.744 122.820 0.170 0.000 2.567 256 A HA 0.445 4.765 4.320 0.000 0.000 0.240 256 A C 1.593 179.218 177.584 0.068 0.000 1.053 256 A CA 1.054 53.190 52.037 0.164 0.000 0.755 256 A CB -1.109 18.067 19.000 0.294 0.000 0.978 256 A HN 2.721 nan 8.150 nan 0.000 0.507 257 G N 2.323 111.145 108.800 0.036 0.000 2.241 257 G HA2 -0.217 3.743 3.960 0.000 0.000 0.244 257 G HA3 -0.217 3.743 3.960 0.000 0.000 0.244 257 G C 0.081 174.981 174.900 -0.000 0.000 0.998 257 G CA 0.482 45.576 45.100 -0.009 0.000 0.621 257 G HN 0.822 nan 8.290 nan 0.000 0.519 258 D N 0.851 121.262 120.400 0.017 0.000 2.398 258 D HA 0.618 5.258 4.640 0.000 0.000 0.247 258 D C 0.845 177.145 176.300 0.000 0.000 1.227 258 D CA 0.662 54.669 54.000 0.011 0.000 0.980 258 D CB 0.631 41.443 40.800 0.020 0.000 1.106 258 D HN 0.767 nan 8.370 nan 0.000 0.493 259 A N 0.677 123.495 122.820 -0.005 0.000 2.331 259 A HA 0.353 4.673 4.320 0.000 0.000 0.283 259 A C 0.224 177.801 177.584 -0.010 0.000 1.142 259 A CA -0.367 51.660 52.037 -0.018 0.000 0.812 259 A CB -0.077 18.912 19.000 -0.018 0.000 1.074 259 A HN 0.527 nan 8.150 nan 0.000 0.497 260 N N -0.514 118.168 118.700 -0.030 0.000 2.413 260 N HA 0.464 5.204 4.740 0.000 0.000 0.266 260 N C 0.290 175.800 175.510 -0.001 0.000 1.238 260 N CA -0.404 52.645 53.050 -0.003 0.000 0.972 260 N CB 1.038 39.494 38.487 -0.051 0.000 1.210 260 N HN 0.648 nan 8.380 nan 0.000 0.547 261 V N -1.259 118.678 119.914 0.038 0.000 3.096 261 V HA 0.140 4.260 4.120 0.000 0.000 0.306 261 V C -0.177 175.921 176.094 0.007 0.000 1.088 261 V CA -0.290 62.031 62.300 0.036 0.000 1.129 261 V CB 0.545 32.412 31.823 0.074 0.000 1.014 261 V HN 0.512 nan 8.190 nan 0.000 0.486 262 Q N 1.402 121.202 119.800 0.000 0.000 2.271 262 Q HA 0.660 5.000 4.340 0.000 0.000 0.258 262 Q C -0.597 175.401 176.000 -0.003 0.000 0.936 262 Q CA -0.722 55.068 55.803 -0.022 0.000 0.909 262 Q CB 2.047 30.762 28.738 -0.039 0.000 1.253 262 Q HN 0.952 nan 8.270 nan 0.000 0.440 263 V N -0.661 119.248 119.914 -0.009 0.000 2.815 263 V HA 0.685 4.805 4.120 0.000 0.000 0.314 263 V C -0.727 175.357 176.094 -0.016 0.000 1.064 263 V CA -0.937 61.373 62.300 0.015 0.000 0.952 263 V CB 1.975 33.821 31.823 0.038 0.000 1.020 263 V HN 0.638 nan 8.190 nan 0.000 0.439 264 K N 2.433 122.851 120.400 0.030 0.000 2.468 264 K HA 0.673 4.993 4.320 0.000 0.000 0.252 264 K C -1.852 174.844 176.600 0.161 0.000 0.932 264 K CA -0.741 55.580 56.287 0.057 0.000 0.794 264 K CB 2.478 34.933 32.500 -0.074 0.000 1.241 264 K HN 0.670 nan 8.250 nan 0.000 0.428 265 L N 1.763 123.035 121.223 0.082 0.000 2.296 265 L HA 0.693 5.033 4.340 0.000 0.000 0.286 265 L C -0.445 176.308 176.870 -0.193 0.000 1.023 265 L CA 0.220 55.007 54.840 -0.089 0.000 0.812 265 L CB 1.491 43.403 42.059 -0.245 0.000 1.223 265 L HN 0.733 nan 8.230 nan 0.000 0.421 266 G N 3.627 112.060 108.800 -0.611 0.000 2.642 266 G HA2 0.658 4.618 3.960 0.000 0.000 0.293 266 G HA3 0.658 4.618 3.960 0.000 0.000 0.293 266 G C -1.954 172.547 174.900 -0.665 0.000 1.341 266 G CA -0.593 43.940 45.100 -0.945 0.000 0.916 266 G HN 0.456 nan 8.290 nan 0.000 0.474 267 V N 1.182 120.827 119.914 -0.449 0.000 2.487 267 V HA 0.627 4.747 4.120 0.000 0.000 0.298 267 V C -0.332 175.700 176.094 -0.104 0.000 1.028 267 V CA -0.608 61.613 62.300 -0.131 0.000 0.860 267 V CB 1.264 33.077 31.823 -0.017 0.000 0.991 267 V HN 0.740 nan 8.190 nan 0.000 0.427 268 I N 2.646 123.220 120.570 0.006 0.000 2.934 268 I HA 0.642 4.812 4.170 0.000 0.000 0.306 268 I C -0.037 176.029 176.117 -0.085 0.000 1.110 268 I CA -0.112 61.161 61.300 -0.046 0.000 1.019 268 I CB 2.680 40.662 38.000 -0.030 0.000 1.227 268 I HN 0.623 nan 8.210 nan 0.000 0.434 269 S N 5.058 120.696 115.700 -0.103 0.000 2.617 269 S HA 0.447 4.917 4.470 0.000 0.000 0.283 269 S C -2.363 172.125 174.600 -0.187 0.000 1.189 269 S CA -1.033 57.097 58.200 -0.118 0.000 1.036 269 S CB 1.320 64.482 63.200 -0.063 0.000 1.014 269 S HN 0.499 nan 8.310 nan 0.000 0.522 270 P HA 0.237 nan 4.420 nan 0.000 0.237 270 P C -0.819 176.404 177.300 -0.129 0.000 1.723 270 P CA 0.087 62.999 63.100 -0.312 0.000 0.882 270 P CB -0.524 30.785 31.700 -0.650 0.000 1.810 271 A N 0.217 122.981 122.820 -0.094 0.000 2.320 271 A HA 0.357 4.677 4.320 0.000 0.000 0.334 271 A C 1.495 179.043 177.584 -0.061 0.000 1.147 271 A CA -0.424 51.593 52.037 -0.034 0.000 0.820 271 A CB 0.986 19.972 19.000 -0.023 0.000 1.218 271 A HN 0.035 nan 8.150 nan 0.000 0.482 272 E N 0.448 120.629 120.200 -0.032 0.000 2.048 272 E HA -0.216 4.134 4.350 0.000 0.000 0.202 272 E C 0.952 177.504 176.600 -0.080 0.000 1.021 272 E CA 2.270 58.638 56.400 -0.052 0.000 0.825 272 E CB 0.006 29.693 29.700 -0.022 0.000 0.756 272 E HN 0.688 nan 8.360 nan 0.000 0.454 273 Q N -0.537 119.229 119.800 -0.058 0.000 2.211 273 Q HA 0.421 4.761 4.340 0.000 0.000 0.301 273 Q C -0.907 175.060 176.000 -0.055 0.000 0.884 273 Q CA -0.190 55.578 55.803 -0.059 0.000 1.115 273 Q CB 1.213 29.928 28.738 -0.038 0.000 1.217 273 Q HN 0.248 nan 8.270 nan 0.000 0.451 274 A N 1.274 124.052 122.820 -0.071 0.000 2.520 274 A HA -0.003 4.317 4.320 0.000 0.000 0.235 274 A C -0.013 177.535 177.584 -0.061 0.000 1.065 274 A CA 0.360 52.358 52.037 -0.067 0.000 0.764 274 A CB 0.339 19.284 19.000 -0.092 0.000 1.002 274 A HN 0.430 nan 8.150 nan 0.000 0.502 275 Q N 0.842 120.615 119.800 -0.045 0.000 2.282 275 Q HA 0.401 4.741 4.340 0.000 0.000 0.260 275 Q C -0.676 175.285 176.000 -0.064 0.000 0.964 275 Q CA -0.491 55.293 55.803 -0.031 0.000 0.880 275 Q CB 1.077 29.809 28.738 -0.010 0.000 1.286 275 Q HN 0.747 nan 8.270 nan 0.000 0.445 276 T N 3.495 118.000 114.554 -0.081 0.000 2.907 276 T HA 0.083 4.433 4.350 0.000 0.000 0.298 276 T C -0.484 173.989 174.700 -0.378 0.000 1.017 276 T CA -0.114 61.825 62.100 -0.268 0.000 1.118 276 T CB 0.890 69.507 68.868 -0.419 0.000 0.948 276 T HN 0.515 nan 8.240 nan 0.000 0.531 277 Q N 2.493 122.021 119.800 -0.453 0.000 2.368 277 Q HA 0.251 4.591 4.340 0.000 0.000 0.263 277 Q C -1.392 174.316 176.000 -0.487 0.000 1.009 277 Q CA -0.753 54.858 55.803 -0.320 0.000 0.818 277 Q CB 0.716 29.359 28.738 -0.157 0.000 1.239 277 Q HN 0.649 nan 8.270 nan 0.000 0.464 278 W N 3.926 125.181 121.300 -0.074 0.000 2.261 278 W HA 0.365 5.025 4.660 0.000 0.000 0.323 278 W C -0.306 176.149 176.519 -0.106 0.000 1.243 278 W CA -0.521 56.757 57.345 -0.112 0.000 1.210 278 W CB 0.542 29.943 29.460 -0.099 0.000 1.149 278 W HN 0.453 nan 8.180 nan 0.000 0.562 279 I N 2.317 122.926 120.570 0.065 0.000 2.336 279 I HA 0.043 4.213 4.170 0.000 0.000 0.292 279 I C -0.080 176.028 176.117 -0.017 0.000 0.991 279 I CA -0.854 60.438 61.300 -0.013 0.000 1.227 279 I CB 1.030 38.962 38.000 -0.114 0.000 1.366 279 I HN 0.285 nan 8.210 nan 0.000 0.466 280 D N 5.713 126.119 120.400 0.009 0.000 2.358 280 D HA 0.134 4.774 4.640 0.000 0.000 0.258 280 D C 0.688 176.969 176.300 -0.032 0.000 1.223 280 D CA 0.337 54.336 54.000 -0.002 0.000 0.886 280 D CB 0.665 41.480 40.800 0.025 0.000 1.120 280 D HN 0.456 nan 8.370 nan 0.000 0.482 281 L N 3.110 124.267 121.223 -0.109 0.000 2.592 281 L HA 0.379 4.719 4.340 0.000 0.000 0.227 281 L C 1.261 178.135 176.870 0.007 0.000 1.127 281 L CA 0.190 54.928 54.840 -0.170 0.000 0.884 281 L CB -0.619 41.272 42.059 -0.279 0.000 1.065 281 L HN 0.658 nan 8.230 nan 0.000 0.457 282 G N -0.290 108.518 108.800 0.013 0.000 2.357 282 G HA2 -0.111 3.849 3.960 0.000 0.000 0.643 282 G HA3 -0.111 3.849 3.960 0.000 0.000 0.643 282 G C -0.196 174.702 174.900 -0.003 0.000 1.358 282 G CA -0.565 44.551 45.100 0.027 0.000 0.986 282 G HN -0.058 nan 8.290 nan 0.000 0.620 283 K N -0.148 120.250 120.400 -0.002 0.000 2.007 283 K HA 0.028 4.348 4.320 0.000 0.000 0.206 283 K C 1.131 177.717 176.600 -0.022 0.000 1.047 283 K CA 1.262 57.541 56.287 -0.014 0.000 0.937 283 K CB -0.077 32.416 32.500 -0.011 0.000 0.718 283 K HN 0.537 nan 8.250 nan 0.000 0.438 284 E N 1.639 121.829 120.200 -0.017 0.000 2.480 284 E HA -0.117 4.233 4.350 0.000 0.000 0.258 284 E C 0.585 177.162 176.600 -0.040 0.000 0.984 284 E CA 0.491 56.876 56.400 -0.025 0.000 0.930 284 E CB 0.604 30.294 29.700 -0.017 0.000 0.936 284 E HN 0.089 nan 8.360 nan 0.000 0.466 285 Q N 2.778 122.547 119.800 -0.051 0.000 2.302 285 Q HA -0.036 4.304 4.340 0.000 0.000 0.202 285 Q C -0.073 175.874 176.000 -0.088 0.000 0.936 285 Q CA 0.521 56.285 55.803 -0.065 0.000 0.886 285 Q CB 0.240 28.940 28.738 -0.062 0.000 0.986 285 Q HN 0.540 nan 8.270 nan 0.000 0.487 286 D N 1.500 121.845 120.400 -0.093 0.000 2.608 286 D HA 0.210 4.850 4.640 0.000 0.000 0.224 286 D C -0.236 175.956 176.300 -0.181 0.000 1.123 286 D CA -0.039 53.876 54.000 -0.140 0.000 1.030 286 D CB -0.635 40.100 40.800 -0.108 0.000 1.093 286 D HN 0.191 nan 8.370 nan 0.000 0.497 287 I N -2.279 118.157 120.570 -0.222 0.000 3.467 287 I HA 0.613 4.783 4.170 0.000 0.000 0.314 287 I C -1.425 174.506 176.117 -0.309 0.000 1.177 287 I CA -1.152 60.029 61.300 -0.198 0.000 0.943 287 I CB 1.665 39.639 38.000 -0.044 0.000 1.338 287 I HN -0.244 nan 8.210 nan 0.000 0.482 288 Y N 1.319 121.654 120.300 0.059 0.000 2.425 288 Y HA 0.609 5.159 4.550 0.000 0.000 0.344 288 Y C -0.795 175.151 175.900 0.077 0.000 0.969 288 Y CA -0.789 57.361 58.100 0.084 0.000 1.052 288 Y CB 2.156 40.700 38.460 0.139 0.000 1.215 288 Y HN 0.462 nan 8.280 nan 0.000 0.451 289 L N 3.267 124.630 121.223 0.232 0.000 2.315 289 L HA 0.596 4.936 4.340 0.000 0.000 0.278 289 L C 0.618 177.579 176.870 0.153 0.000 1.088 289 L CA 0.251 55.177 54.840 0.144 0.000 0.899 289 L CB 0.131 42.241 42.059 0.085 0.000 1.277 289 L HN 0.822 nan 8.230 nan 0.000 0.431 290 A N 5.016 127.918 122.820 0.137 0.000 1.898 290 A HA 0.259 4.579 4.320 0.000 0.000 0.214 290 A C 0.969 178.573 177.584 0.033 0.000 1.183 290 A CA 0.757 52.835 52.037 0.069 0.000 0.622 290 A CB 0.053 19.083 19.000 0.050 0.000 0.824 290 A HN 0.575 nan 8.150 nan 0.000 0.444 291 R N -1.913 118.597 120.500 0.016 0.000 2.774 291 R HA 0.672 5.012 4.340 0.000 0.000 0.272 291 R C -1.938 174.237 176.300 -0.209 0.000 1.000 291 R CA -0.493 55.571 56.100 -0.061 0.000 0.906 291 R CB 1.795 32.074 30.300 -0.035 0.000 1.227 291 R HN 0.030 nan 8.270 nan 0.000 0.468 292 V N 2.141 121.748 119.914 -0.511 0.000 2.711 292 V HA 0.463 4.583 4.120 0.000 0.000 0.304 292 V C -0.920 174.741 176.094 -0.721 0.000 1.097 292 V CA -0.883 60.923 62.300 -0.823 0.000 0.906 292 V CB 2.368 33.122 31.823 -1.782 0.000 1.015 292 V HN 0.676 nan 8.190 nan 0.000 0.427 293 N N 2.628 121.121 118.700 -0.345 0.000 2.324 293 N HA 0.382 5.122 4.740 0.000 0.000 0.285 293 N C -1.633 173.922 175.510 0.075 0.000 1.076 293 N CA -0.500 52.535 53.050 -0.024 0.000 0.864 293 N CB 2.508 41.096 38.487 0.167 0.000 1.632 293 N HN 0.593 nan 8.380 nan 0.000 0.478 294 W N 1.578 122.981 121.300 0.172 0.000 2.316 294 W HA 0.390 5.050 4.660 0.000 0.000 0.311 294 W C 1.845 178.387 176.519 0.039 0.000 1.217 294 W CA -0.491 56.921 57.345 0.111 0.000 1.199 294 W CB 1.391 30.930 29.460 0.132 0.000 1.202 294 W HN 0.505 nan 8.180 nan 0.000 0.528 295 R N 0.923 121.370 120.500 -0.090 0.000 2.066 295 R HA -0.030 4.310 4.340 0.000 0.000 0.224 295 R C -0.461 175.766 176.300 -0.122 0.000 1.122 295 R CA 1.722 57.382 56.100 -0.733 0.000 0.974 295 R CB 0.112 29.733 30.300 -1.131 0.000 0.871 295 R HN 0.707 nan 8.270 nan 0.000 0.435 296 D N -3.577 116.878 120.400 0.093 0.000 2.692 296 D HA 0.166 4.806 4.640 0.000 0.000 0.290 296 D C -2.468 173.984 176.300 0.253 0.000 1.281 296 D CA -1.517 52.573 54.000 0.151 0.000 0.804 296 D CB 1.116 41.972 40.800 0.093 0.000 1.331 296 D HN -0.291 nan 8.370 nan 0.000 0.432 297 P HA -0.113 nan 4.420 nan 0.000 0.231 297 P C 0.394 177.784 177.300 0.151 0.000 1.154 297 P CA 1.167 64.297 63.100 0.050 0.000 0.762 297 P CB 0.133 31.824 31.700 -0.015 0.000 0.790 298 Q N -2.655 117.253 119.800 0.181 0.000 2.280 298 Q HA 0.124 4.464 4.340 0.000 0.000 0.244 298 Q C -0.034 175.809 176.000 -0.262 0.000 0.847 298 Q CA 0.554 56.349 55.803 -0.014 0.000 0.945 298 Q CB 0.350 29.048 28.738 -0.066 0.000 1.115 298 Q HN 0.455 nan 8.270 nan 0.000 0.513 299 H N 0.018 119.154 119.070 0.111 0.000 2.609 299 H HA 0.547 5.103 4.556 0.000 0.000 0.344 299 H C -1.230 174.093 175.328 -0.008 0.000 1.040 299 H CA -0.689 55.361 56.048 0.005 0.000 1.216 299 H CB 1.910 31.607 29.762 -0.108 0.000 1.529 299 H HN -0.089 nan 8.280 nan 0.000 0.519 300 L N 2.629 123.812 121.223 -0.066 0.000 2.356 300 L HA 0.646 4.986 4.340 0.000 0.000 0.277 300 L C -0.373 176.395 176.870 -0.170 0.000 0.996 300 L CA -0.379 54.275 54.840 -0.309 0.000 0.822 300 L CB 1.509 43.200 42.059 -0.613 0.000 1.256 300 L HN 0.758 nan 8.230 nan 0.000 0.413 301 S N 3.552 119.171 115.700 -0.136 0.000 2.664 301 S HA 0.936 5.407 4.470 0.000 0.000 0.304 301 S C -0.671 173.893 174.600 -0.060 0.000 1.099 301 S CA -0.526 57.623 58.200 -0.084 0.000 1.003 301 S CB 1.707 64.969 63.200 0.103 0.000 1.092 301 S HN 0.774 nan 8.310 nan 0.000 0.525 302 F N -1.666 118.207 119.950 -0.128 0.000 2.665 302 F HA 0.572 5.099 4.527 0.000 0.000 0.308 302 F C -1.515 174.238 175.800 -0.079 0.000 1.112 302 F CA -0.994 56.911 58.000 -0.159 0.000 0.972 302 F CB 1.221 40.108 39.000 -0.188 0.000 1.295 302 F HN 0.590 nan 8.300 nan 0.000 0.440 303 Q N 3.480 123.382 119.800 0.170 0.000 2.372 303 Q HA 0.381 4.721 4.340 0.000 0.000 0.259 303 Q C -0.799 175.347 176.000 0.244 0.000 0.993 303 Q CA -0.842 55.039 55.803 0.130 0.000 0.854 303 Q CB 2.478 31.279 28.738 0.105 0.000 1.231 303 Q HN 0.695 nan 8.270 nan 0.000 0.462 304 R N 2.745 123.407 120.500 0.270 0.000 2.265 304 R HA 0.234 4.574 4.340 0.000 0.000 0.319 304 R C -0.975 175.436 176.300 0.185 0.000 1.006 304 R CA -0.151 56.110 56.100 0.268 0.000 0.880 304 R CB 1.170 31.672 30.300 0.336 0.000 1.077 304 R HN 0.666 nan 8.270 nan 0.000 0.454 305 Q N 2.769 122.690 119.800 0.202 0.000 2.337 305 Q HA 0.253 4.593 4.340 0.000 0.000 0.266 305 Q C -0.843 175.279 176.000 0.203 0.000 1.023 305 Q CA -0.704 55.217 55.803 0.197 0.000 0.829 305 Q CB 1.768 30.644 28.738 0.230 0.000 1.306 305 Q HN 0.820 nan 8.270 nan 0.000 0.449 306 S N 2.417 118.201 115.700 0.139 0.000 2.585 306 S HA 0.134 4.604 4.470 0.000 0.000 0.273 306 S C 0.886 175.557 174.600 0.118 0.000 1.339 306 S CA -0.543 57.713 58.200 0.093 0.000 1.028 306 S CB 1.494 64.734 63.200 0.066 0.000 0.906 306 S HN 0.869 nan 8.310 nan 0.000 0.528 307 R N 1.859 122.372 120.500 0.021 0.000 2.119 307 R HA -0.182 4.158 4.340 0.000 0.000 0.246 307 R C 1.326 177.688 176.300 0.103 0.000 1.146 307 R CA 2.556 58.661 56.100 0.009 0.000 0.962 307 R CB -1.358 28.900 30.300 -0.071 0.000 0.863 307 R HN 0.947 nan 8.270 nan 0.000 0.442 308 D N -0.479 119.963 120.400 0.070 0.000 2.363 308 D HA -0.085 4.555 4.640 0.000 0.000 0.226 308 D C -0.106 176.236 176.300 0.070 0.000 1.020 308 D CA 0.276 54.322 54.000 0.076 0.000 0.892 308 D CB -0.249 40.601 40.800 0.084 0.000 0.900 308 D HN 0.477 nan 8.370 nan 0.000 0.531 309 Q N -1.110 118.728 119.800 0.063 0.000 2.494 309 Q HA -0.251 4.089 4.340 0.000 0.000 0.266 309 Q C 0.459 176.489 176.000 0.050 0.000 1.053 309 Q CA 1.005 56.832 55.803 0.040 0.000 1.029 309 Q CB -1.600 27.109 28.738 -0.049 0.000 1.423 309 Q HN 0.430 nan 8.270 nan 0.000 0.516 310 K N 0.215 120.633 120.400 0.030 0.000 2.353 310 K HA 0.148 4.468 4.320 0.000 0.000 0.195 310 K C -0.070 176.500 176.600 -0.050 0.000 1.031 310 K CA 0.468 56.744 56.287 -0.019 0.000 1.079 310 K CB 0.504 32.994 32.500 -0.017 0.000 0.857 310 K HN 0.085 nan 8.250 nan 0.000 0.535 311 K N 1.095 121.479 120.400 -0.027 0.000 2.482 311 K HA 0.376 4.696 4.320 0.000 0.000 0.251 311 K C -1.678 174.901 176.600 -0.035 0.000 0.936 311 K CA -0.806 55.435 56.287 -0.077 0.000 0.791 311 K CB 2.417 34.921 32.500 0.007 0.000 1.213 311 K HN -0.170 nan 8.250 nan 0.000 0.428 312 L N 1.631 122.799 121.223 -0.093 0.000 2.408 312 L HA 0.527 4.867 4.340 0.000 0.000 0.268 312 L C -1.681 175.198 176.870 0.014 0.000 0.986 312 L CA -0.169 54.677 54.840 0.010 0.000 0.820 312 L CB 1.892 43.978 42.059 0.045 0.000 1.303 312 L HN 0.536 nan 8.230 nan 0.000 0.411 313 D N 4.409 124.850 120.400 0.068 0.000 2.502 313 D HA 0.357 4.997 4.640 0.000 0.000 0.249 313 D C -1.201 175.054 176.300 -0.075 0.000 1.092 313 D CA -0.196 53.826 54.000 0.037 0.000 0.839 313 D CB 2.707 43.548 40.800 0.068 0.000 1.264 313 D HN 0.411 nan 8.370 nan 0.000 0.511 314 L N 3.136 124.248 121.223 -0.186 0.000 2.257 314 L HA 0.362 4.702 4.340 0.000 0.000 0.290 314 L C -1.227 175.412 176.870 -0.384 0.000 1.044 314 L CA -0.395 54.254 54.840 -0.317 0.000 0.810 314 L CB 1.209 42.929 42.059 -0.565 0.000 1.193 314 L HN 0.083 nan 8.230 nan 0.000 0.425 315 V N 4.637 124.196 119.914 -0.592 0.000 2.409 315 V HA 0.416 4.536 4.120 0.000 0.000 0.291 315 V C -0.237 175.546 176.094 -0.518 0.000 1.020 315 V CA -0.746 61.157 62.300 -0.662 0.000 0.848 315 V CB 1.592 32.758 31.823 -1.096 0.000 0.990 315 V HN 0.782 nan 8.190 nan 0.000 0.430 316 E N 4.342 124.382 120.200 -0.268 0.000 2.283 316 E HA 0.520 4.870 4.350 0.000 0.000 0.278 316 E C -1.202 175.342 176.600 -0.093 0.000 1.027 316 E CA -0.139 56.182 56.400 -0.132 0.000 0.843 316 E CB 1.614 31.273 29.700 -0.070 0.000 1.062 316 E HN 0.394 nan 8.360 nan 0.000 0.401 317 V N 4.886 124.773 119.914 -0.045 0.000 2.447 317 V HA 0.245 4.365 4.120 0.000 0.000 0.292 317 V C -0.532 175.529 176.094 -0.054 0.000 1.021 317 V CA -0.837 61.451 62.300 -0.020 0.000 0.850 317 V CB 1.910 33.748 31.823 0.026 0.000 1.005 317 V HN 0.816 nan 8.190 nan 0.000 0.426 318 T N 6.630 121.144 114.554 -0.067 0.000 2.738 318 T HA 0.274 4.624 4.350 0.000 0.000 0.293 318 T C 1.491 176.102 174.700 -0.149 0.000 0.913 318 T CA -0.086 61.894 62.100 -0.201 0.000 1.103 318 T CB 0.604 69.397 68.868 -0.126 0.000 0.880 318 T HN 0.424 nan 8.240 nan 0.000 0.526 319 L N 2.288 123.412 121.223 -0.165 0.000 2.083 319 L HA -0.129 4.211 4.340 0.000 0.000 0.209 319 L C 2.855 179.689 176.870 -0.060 0.000 1.083 319 L CA 1.271 56.066 54.840 -0.076 0.000 0.752 319 L CB -0.684 41.365 42.059 -0.015 0.000 0.899 319 L HN 0.739 nan 8.230 nan 0.000 0.433 320 A N 0.386 123.157 122.820 -0.082 0.000 1.845 320 A HA -0.219 4.101 4.320 0.000 0.000 0.215 320 A C 2.511 180.074 177.584 -0.036 0.000 1.195 320 A CA 2.229 54.236 52.037 -0.049 0.000 0.616 320 A CB -0.738 18.232 19.000 -0.051 0.000 0.832 320 A HN 0.500 nan 8.150 nan 0.000 0.443 321 S N -1.973 113.702 115.700 -0.042 0.000 2.470 321 S HA 0.007 4.477 4.470 0.000 0.000 0.225 321 S C 0.842 175.430 174.600 -0.019 0.000 1.006 321 S CA 0.893 59.078 58.200 -0.024 0.000 0.934 321 S CB -0.508 62.681 63.200 -0.019 0.000 0.778 321 S HN 0.683 nan 8.310 nan 0.000 0.517 322 N N 0.391 119.076 118.700 -0.026 0.000 2.901 322 N HA -0.145 4.595 4.740 0.000 0.000 0.248 322 N C -0.794 174.713 175.510 -0.005 0.000 1.044 322 N CA 0.407 53.449 53.050 -0.013 0.000 0.847 322 N CB -0.865 37.620 38.487 -0.003 0.000 1.127 322 N HN 0.624 nan 8.380 nan 0.000 0.562 323 Q N 0.541 120.335 119.800 -0.011 0.000 2.312 323 Q HA 0.336 4.676 4.340 0.000 0.000 0.236 323 Q C -0.255 175.743 176.000 -0.003 0.000 0.965 323 Q CA 0.326 56.126 55.803 -0.005 0.000 0.894 323 Q CB 1.155 29.889 28.738 -0.006 0.000 1.225 323 Q HN 0.214 nan 8.270 nan 0.000 0.478 324 Q N 0.497 120.295 119.800 -0.004 0.000 2.451 324 Q HA 0.638 4.978 4.340 0.000 0.000 0.281 324 Q C -1.254 174.724 176.000 -0.037 0.000 1.099 324 Q CA -0.815 54.979 55.803 -0.015 0.000 0.806 324 Q CB 2.790 31.534 28.738 0.009 0.000 1.419 324 Q HN 0.570 nan 8.270 nan 0.000 0.427 325 R N -1.837 118.621 120.500 -0.069 0.000 2.633 325 R HA 0.435 4.775 4.340 0.000 0.000 0.255 325 R C -1.170 175.055 176.300 -0.126 0.000 1.106 325 R CA -0.912 55.139 56.100 -0.081 0.000 0.959 325 R CB 0.435 30.699 30.300 -0.061 0.000 1.259 325 R HN 0.391 nan 8.270 nan 0.000 0.453 326 V N 2.416 122.253 119.914 -0.129 0.000 2.408 326 V HA 0.295 4.415 4.120 0.000 0.000 0.267 326 V C 0.760 176.753 176.094 -0.168 0.000 1.047 326 V CA -0.382 61.822 62.300 -0.161 0.000 0.937 326 V CB 0.710 32.456 31.823 -0.129 0.000 0.999 326 V HN 0.895 nan 8.190 nan 0.000 0.472 327 L N 4.084 125.177 121.223 -0.217 0.000 2.240 327 L HA 0.472 4.812 4.340 0.000 0.000 0.211 327 L C 1.173 177.849 176.870 -0.324 0.000 1.106 327 L CA 1.288 55.985 54.840 -0.238 0.000 0.793 327 L CB -0.185 41.730 42.059 -0.240 0.000 0.927 327 L HN 0.955 nan 8.230 nan 0.000 0.446 328 A N -1.445 121.159 122.820 -0.360 0.000 2.594 328 A HA 0.570 4.890 4.320 0.000 0.000 0.296 328 A C -1.758 175.741 177.584 -0.142 0.000 1.061 328 A CA -0.449 51.371 52.037 -0.361 0.000 0.689 328 A CB 0.899 19.399 19.000 -0.834 0.000 1.280 328 A HN 0.187 nan 8.150 nan 0.000 0.406 329 H N 1.148 120.133 119.070 -0.141 0.000 2.906 329 H HA 0.575 5.131 4.556 0.000 0.000 0.324 329 H C -0.894 174.430 175.328 -0.006 0.000 0.973 329 H CA -0.185 55.826 56.048 -0.062 0.000 1.321 329 H CB 1.007 30.728 29.762 -0.068 0.000 1.535 329 H HN 0.556 nan 8.280 nan 0.000 0.518 330 E N 3.286 123.310 120.200 -0.294 0.000 2.222 330 E HA 0.424 4.774 4.350 0.000 0.000 0.272 330 E C -0.483 175.896 176.600 -0.369 0.000 0.982 330 E CA -0.607 55.670 56.400 -0.205 0.000 0.842 330 E CB 2.153 31.848 29.700 -0.009 0.000 1.144 330 E HN 0.625 nan 8.360 nan 0.000 0.397 331 T N 0.553 114.968 114.554 -0.231 0.000 2.923 331 T HA 0.465 4.815 4.350 0.000 0.000 0.311 331 T C -1.080 173.519 174.700 -0.167 0.000 1.183 331 T CA -0.629 61.355 62.100 -0.194 0.000 1.020 331 T CB 1.767 70.554 68.868 -0.134 0.000 1.165 331 T HN 0.348 nan 8.240 nan 0.000 0.482 332 S N 1.771 117.368 115.700 -0.171 0.000 2.535 332 S HA 0.530 5.000 4.470 0.000 0.000 0.272 332 S C -2.174 172.289 174.600 -0.230 0.000 1.149 332 S CA -1.292 56.772 58.200 -0.226 0.000 0.888 332 S CB 1.872 64.888 63.200 -0.306 0.000 1.110 332 S HN 0.427 nan 8.310 nan 0.000 0.463 333 P HA 0.000 nan 4.420 nan 0.000 0.223 333 P C 1.065 178.116 177.300 -0.414 0.000 1.151 333 P CA 1.309 64.261 63.100 -0.248 0.000 0.787 333 P CB -0.086 31.490 31.700 -0.206 0.000 0.788 334 T N -3.700 110.518 114.554 -0.560 0.000 3.556 334 T HA 0.274 4.624 4.350 0.000 0.000 0.204 334 T C 0.154 174.580 174.700 -0.458 0.000 0.896 334 T CA -0.197 61.329 62.100 -0.956 0.000 1.380 334 T CB -0.481 67.903 68.868 -0.807 0.000 1.584 334 T HN 0.267 nan 8.240 nan 0.000 0.411 335 W N 0.125 121.210 121.300 -0.359 0.000 3.083 335 W HA 0.788 5.448 4.660 -0.000 0.000 0.333 335 W C -2.117 174.295 176.519 -0.178 0.000 1.217 335 W CA -1.512 55.697 57.345 -0.225 0.000 1.170 335 W CB 1.177 30.508 29.460 -0.215 0.000 1.437 335 W HN 0.196 nan 8.180 nan 0.000 0.557 336 V N 3.751 123.665 119.914 -0.000 0.000 2.364 336 V HA 0.337 4.457 4.120 0.000 0.000 0.272 336 V C -1.897 174.254 176.094 0.096 0.000 1.036 336 V CA -1.805 60.456 62.300 -0.066 0.000 0.880 336 V CB 1.001 32.797 31.823 -0.045 0.000 0.991 336 V HN 0.352 nan 8.190 nan 0.000 0.460 337 P HA 0.265 nan 4.420 nan 0.000 0.276 337 P C -0.378 176.950 177.300 0.047 0.000 1.230 337 P CA -0.160 63.027 63.100 0.144 0.000 0.776 337 P CB 0.593 32.342 31.700 0.082 0.000 0.888 338 L N 4.276 125.519 121.223 0.032 0.000 2.439 338 L HA 0.475 4.815 4.340 0.000 0.000 0.261 338 L C 0.773 177.585 176.870 -0.096 0.000 1.153 338 L CA -0.210 54.564 54.840 -0.109 0.000 0.808 338 L CB 0.386 42.395 42.059 -0.084 0.000 1.126 338 L HN 0.700 nan 8.230 nan 0.000 0.460 339 H N -1.021 117.987 119.070 -0.104 0.000 2.981 339 H HA 0.404 4.960 4.556 0.000 0.000 0.327 339 H C -1.317 173.950 175.328 -0.102 0.000 1.342 339 H CA -1.073 54.906 56.048 -0.115 0.000 1.123 339 H CB 0.735 30.372 29.762 -0.208 0.000 1.851 339 H HN 0.327 nan 8.280 nan 0.000 0.531 340 N N 0.231 119.043 118.700 0.187 0.000 2.541 340 N HA 0.144 4.884 4.740 0.000 0.000 0.297 340 N C -0.267 175.338 175.510 0.158 0.000 1.503 340 N CA -0.004 53.133 53.050 0.145 0.000 0.919 340 N CB 0.915 39.462 38.487 0.100 0.000 1.305 340 N HN 0.528 nan 8.380 nan 0.000 0.501 341 S N 0.164 115.991 115.700 0.213 0.000 2.503 341 S HA 0.063 4.533 4.470 0.000 0.000 0.217 341 S C 0.796 175.399 174.600 0.005 0.000 0.999 341 S CA -0.419 57.760 58.200 -0.035 0.000 0.914 341 S CB 0.280 63.277 63.200 -0.339 0.000 0.782 341 S HN 0.356 nan 8.310 nan 0.000 0.520 342 L N 4.017 125.316 121.223 0.126 0.000 2.628 342 L HA 0.083 4.423 4.340 0.000 0.000 0.274 342 L C -0.167 176.665 176.870 -0.064 0.000 1.209 342 L CA 0.840 55.755 54.840 0.126 0.000 0.930 342 L CB -0.013 42.164 42.059 0.197 0.000 1.183 342 L HN -0.023 nan 8.230 nan 0.000 0.492 343 R N 5.147 125.560 120.500 -0.145 0.000 2.621 343 R HA 0.370 4.710 4.340 0.000 0.000 0.284 343 R C -1.488 174.686 176.300 -0.210 0.000 0.998 343 R CA -0.505 55.518 56.100 -0.129 0.000 0.895 343 R CB 1.343 31.641 30.300 -0.004 0.000 1.195 343 R HN 0.463 nan 8.270 nan 0.000 0.450 344 F N 3.360 123.368 119.950 0.095 0.000 2.350 344 F HA 0.385 4.912 4.527 0.000 0.000 0.365 344 F C 0.736 176.571 175.800 0.058 0.000 1.122 344 F CA -0.531 57.510 58.000 0.068 0.000 1.139 344 F CB 0.646 39.687 39.000 0.068 0.000 1.220 344 F HN 0.119 nan 8.300 nan 0.000 0.499 345 L N 3.823 125.168 121.223 0.203 0.000 2.367 345 L HA 0.159 4.499 4.340 0.000 0.000 0.275 345 L C 1.148 178.091 176.870 0.122 0.000 1.129 345 L CA -0.543 54.376 54.840 0.132 0.000 0.839 345 L CB 0.735 42.847 42.059 0.088 0.000 1.133 345 L HN 0.552 nan 8.230 nan 0.000 0.453 346 D N 0.147 120.604 120.400 0.095 0.000 2.309 346 D HA -0.257 4.383 4.640 0.000 0.000 0.212 346 D C 1.245 177.572 176.300 0.045 0.000 0.968 346 D CA 0.990 55.030 54.000 0.067 0.000 0.882 346 D CB -0.215 40.620 40.800 0.059 0.000 0.918 346 D HN 0.673 nan 8.370 nan 0.000 0.503 347 D N -0.125 120.303 120.400 0.047 0.000 2.378 347 D HA -0.043 4.597 4.640 0.000 0.000 0.222 347 D C 1.701 178.016 176.300 0.025 0.000 0.980 347 D CA 1.209 55.228 54.000 0.032 0.000 0.907 347 D CB -0.153 40.666 40.800 0.031 0.000 0.899 347 D HN 0.437 nan 8.370 nan 0.000 0.527 348 G N 0.143 108.964 108.800 0.034 0.000 2.238 348 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 348 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 348 G C 0.408 175.334 174.900 0.044 0.000 0.996 348 G CA 0.348 45.459 45.100 0.018 0.000 0.632 348 G HN 0.762 nan 8.290 nan 0.000 0.503 349 S N 0.481 116.216 115.700 0.057 0.000 2.693 349 S HA 0.804 5.274 4.470 0.000 0.000 0.276 349 S C 0.194 174.855 174.600 0.102 0.000 1.192 349 S CA -0.173 58.064 58.200 0.062 0.000 0.994 349 S CB 1.924 65.149 63.200 0.042 0.000 1.012 349 S HN 1.530 nan 8.310 nan 0.000 0.550 350 I N -1.362 119.254 120.570 0.076 0.000 2.569 350 I HA 0.574 4.744 4.170 0.000 0.000 0.296 350 I C -1.027 175.120 176.117 0.049 0.000 1.028 350 I CA -1.272 60.053 61.300 0.043 0.000 1.082 350 I CB 1.404 39.383 38.000 -0.035 0.000 1.264 350 I HN 0.577 nan 8.210 nan 0.000 0.429 351 L N 5.890 127.134 121.223 0.035 0.000 2.305 351 L HA 0.412 4.752 4.340 0.000 0.000 0.281 351 L C -0.923 176.057 176.870 0.184 0.000 1.085 351 L CA -0.116 54.770 54.840 0.077 0.000 0.813 351 L CB 1.128 43.203 42.059 0.027 0.000 1.157 351 L HN 0.697 nan 8.230 nan 0.000 0.436 352 W N 3.815 125.075 121.300 -0.066 0.000 3.029 352 W HA 0.445 5.105 4.660 -0.000 0.000 0.339 352 W C -1.362 175.088 176.519 -0.115 0.000 1.198 352 W CA -0.658 56.632 57.345 -0.092 0.000 1.148 352 W CB 2.301 31.724 29.460 -0.062 0.000 1.451 352 W HN 0.381 nan 8.180 nan 0.000 0.564 353 S N 2.441 117.516 115.700 -1.043 0.000 2.526 353 S HA 0.674 5.144 4.470 0.000 0.000 0.293 353 S C -1.254 172.824 174.600 -0.870 0.000 1.092 353 S CA -0.245 57.442 58.200 -0.855 0.000 0.980 353 S CB 1.812 64.305 63.200 -1.178 0.000 1.048 353 S HN 0.469 nan 8.310 nan 0.000 0.483 354 S N 1.955 117.454 115.700 -0.335 0.000 2.570 354 S HA 0.447 4.917 4.470 0.000 0.000 0.270 354 S C -0.740 173.794 174.600 -0.110 0.000 1.149 354 S CA -0.490 57.559 58.200 -0.251 0.000 0.837 354 S CB 1.870 64.879 63.200 -0.317 0.000 1.124 354 S HN 0.857 nan 8.310 nan 0.000 0.465 355 E N 1.541 121.663 120.200 -0.130 0.000 2.569 355 E HA 0.173 4.523 4.350 0.000 0.000 0.205 355 E C 1.586 178.121 176.600 -0.109 0.000 1.006 355 E CA -0.224 56.101 56.400 -0.125 0.000 0.985 355 E CB 0.070 29.650 29.700 -0.200 0.000 1.060 355 E HN 0.653 nan 8.360 nan 0.000 0.460 356 R N -0.219 120.227 120.500 -0.089 0.000 2.139 356 R HA -0.134 4.206 4.340 0.000 0.000 0.243 356 R C 1.828 178.110 176.300 -0.030 0.000 1.145 356 R CA 1.944 57.995 56.100 -0.081 0.000 0.976 356 R CB -1.142 29.093 30.300 -0.107 0.000 0.866 356 R HN 0.080 nan 8.270 nan 0.000 0.449 357 T N -3.601 110.981 114.554 0.047 0.000 3.129 357 T HA 0.286 4.636 4.350 0.000 0.000 0.251 357 T C 1.333 176.085 174.700 0.086 0.000 1.117 357 T CA 0.335 62.488 62.100 0.089 0.000 1.034 357 T CB 0.514 69.479 68.868 0.162 0.000 0.968 357 T HN 0.571 nan 8.240 nan 0.000 0.526 358 G N 0.340 109.115 108.800 -0.042 0.000 2.176 358 G HA2 -0.129 3.831 3.960 0.000 0.000 0.232 358 G HA3 -0.129 3.831 3.960 0.000 0.000 0.232 358 G C -0.177 174.397 174.900 -0.544 0.000 0.986 358 G CA -0.192 44.764 45.100 -0.240 0.000 0.643 358 G HN 0.557 nan 8.290 nan 0.000 0.522 359 F N -0.353 119.529 119.950 -0.113 0.000 2.591 359 F HA 0.636 5.163 4.527 0.000 0.000 0.309 359 F C 0.117 175.720 175.800 -0.328 0.000 1.098 359 F CA -1.096 56.774 58.000 -0.217 0.000 0.937 359 F CB 2.010 40.868 39.000 -0.236 0.000 1.250 359 F HN -0.002 nan 8.300 nan 0.000 0.447 360 Q N 3.204 122.847 119.800 -0.262 0.000 2.286 360 Q HA 0.256 4.596 4.340 0.000 0.000 0.267 360 Q C -1.257 174.350 176.000 -0.654 0.000 1.028 360 Q CA 0.643 56.253 55.803 -0.322 0.000 0.901 360 Q CB 0.106 28.709 28.738 -0.226 0.000 1.183 360 Q HN 0.460 nan 8.270 nan 0.000 0.392 361 H N 2.737 121.709 119.070 -0.163 0.000 2.980 361 H HA 0.403 4.959 4.556 0.000 0.000 0.367 361 H C -0.816 174.384 175.328 -0.214 0.000 1.206 361 H CA -0.736 55.131 56.048 -0.302 0.000 1.126 361 H CB 1.013 30.537 29.762 -0.397 0.000 1.838 361 H HN 0.531 nan 8.280 nan 0.000 0.552 362 L N 1.587 122.671 121.223 -0.232 0.000 2.399 362 L HA 0.316 4.656 4.340 0.000 0.000 0.266 362 L C -0.828 175.906 176.870 -0.226 0.000 1.114 362 L CA -0.294 54.436 54.840 -0.182 0.000 0.804 362 L CB 0.357 42.262 42.059 -0.256 0.000 1.146 362 L HN 0.413 nan 8.230 nan 0.000 0.451 363 Y N 0.363 120.623 120.300 -0.066 0.000 2.562 363 Y HA 0.480 5.030 4.550 0.000 0.000 0.345 363 Y C -0.424 175.494 175.900 0.030 0.000 1.045 363 Y CA -0.924 57.175 58.100 -0.002 0.000 1.028 363 Y CB 1.892 40.386 38.460 0.056 0.000 1.297 363 Y HN 0.406 nan 8.280 nan 0.000 0.463 364 R N 3.022 123.624 120.500 0.170 0.000 2.360 364 R HA 0.569 4.909 4.340 0.000 0.000 0.318 364 R C -1.626 174.736 176.300 0.102 0.000 0.950 364 R CA -0.525 55.639 56.100 0.106 0.000 0.837 364 R CB 0.495 30.825 30.300 0.049 0.000 1.165 364 R HN 0.573 nan 8.270 nan 0.000 0.458 365 I N 4.876 125.493 120.570 0.079 0.000 2.315 365 I HA 0.113 4.283 4.170 0.000 0.000 0.291 365 I C 0.323 176.450 176.117 0.016 0.000 1.006 365 I CA -0.719 60.599 61.300 0.029 0.000 1.265 365 I CB 0.779 38.759 38.000 -0.033 0.000 1.387 365 I HN 0.698 nan 8.210 nan 0.000 0.475 366 D N 3.956 124.362 120.400 0.009 0.000 2.398 366 D HA 0.078 4.718 4.640 0.000 0.000 0.247 366 D C 0.864 177.160 176.300 -0.006 0.000 1.227 366 D CA -0.521 53.482 54.000 0.005 0.000 0.980 366 D CB 0.478 41.280 40.800 0.003 0.000 1.106 366 D HN 0.337 nan 8.370 nan 0.000 0.493 367 S N -0.799 114.897 115.700 -0.006 0.000 2.528 367 S HA -0.077 4.393 4.470 0.000 0.000 0.244 367 S C 1.621 176.207 174.600 -0.023 0.000 0.982 367 S CA 1.525 59.716 58.200 -0.014 0.000 0.953 367 S CB -0.693 62.499 63.200 -0.013 0.000 0.754 367 S HN 0.699 nan 8.310 nan 0.000 0.529 368 K N 0.861 121.248 120.400 -0.022 0.000 2.230 368 K HA 0.591 4.911 4.320 0.000 0.000 0.219 368 K C 1.390 177.968 176.600 -0.037 0.000 1.033 368 K CA 0.696 56.967 56.287 -0.027 0.000 0.937 368 K CB -0.855 31.632 32.500 -0.021 0.000 1.018 368 K HN 0.453 nan 8.250 nan 0.000 0.463 369 G N -1.914 106.864 108.800 -0.036 0.000 4.541 369 G HA2 0.408 4.368 3.960 0.000 0.000 0.221 369 G HA3 0.408 4.368 3.960 0.000 0.000 0.221 369 G C 0.140 175.017 174.900 -0.038 0.000 0.774 369 G CA 0.663 45.733 45.100 -0.050 0.000 1.044 369 G HN 0.826 nan 8.290 nan 0.000 0.768 370 K N 0.488 120.876 120.400 -0.021 0.000 2.258 370 K HA 0.904 5.224 4.320 0.000 0.000 0.284 370 K C 0.174 176.782 176.600 0.013 0.000 1.051 370 K CA 0.196 56.479 56.287 -0.007 0.000 0.923 370 K CB 1.329 33.827 32.500 -0.003 0.000 1.046 370 K HN 1.576 nan 8.250 nan 0.000 0.474 371 A N 1.391 124.230 122.820 0.032 0.000 2.292 371 A HA 0.758 5.078 4.320 0.000 0.000 0.319 371 A C 0.196 177.872 177.584 0.153 0.000 1.206 371 A CA -0.078 52.019 52.037 0.099 0.000 0.835 371 A CB 0.646 19.692 19.000 0.076 0.000 1.164 371 A HN 1.625 nan 8.150 nan 0.000 0.505 372 A N 1.877 124.792 122.820 0.158 0.000 2.318 372 A HA 0.709 5.029 4.320 0.000 0.000 0.324 372 A C 0.312 177.916 177.584 0.034 0.000 1.170 372 A CA -0.004 52.080 52.037 0.079 0.000 0.810 372 A CB 0.772 19.786 19.000 0.023 0.000 1.198 372 A HN 2.010 nan 8.150 nan 0.000 0.484 373 A N 2.793 125.529 122.820 -0.139 0.000 2.343 373 A HA 0.497 4.817 4.320 0.000 0.000 0.305 373 A C 0.842 178.205 177.584 -0.368 0.000 1.308 373 A CA -0.429 51.260 52.037 -0.580 0.000 0.949 373 A CB -0.362 18.286 19.000 -0.586 0.000 1.148 373 A HN 0.914 nan 8.150 nan 0.000 0.545 374 L N 1.993 122.997 121.223 -0.366 0.000 2.141 374 L HA -0.013 4.327 4.340 0.000 0.000 0.209 374 L C 1.517 178.244 176.870 -0.238 0.000 1.094 374 L CA 1.532 56.240 54.840 -0.220 0.000 0.763 374 L CB -0.412 41.539 42.059 -0.181 0.000 0.908 374 L HN 0.864 nan 8.230 nan 0.000 0.437 375 T N -2.252 112.065 114.554 -0.395 0.000 2.901 375 T HA 0.634 4.984 4.350 0.000 0.000 0.293 375 T C -0.838 173.352 174.700 -0.851 0.000 1.084 375 T CA -0.736 61.076 62.100 -0.479 0.000 1.008 375 T CB 2.279 70.905 68.868 -0.403 0.000 1.170 375 T HN 0.366 nan 8.240 nan 0.000 0.509 376 H N -1.925 116.533 119.070 -1.019 0.000 3.005 376 H HA 0.756 5.312 4.556 0.000 0.000 0.311 376 H C -0.257 174.513 175.328 -0.931 0.000 1.366 376 H CA -0.536 54.666 56.048 -1.410 0.000 1.210 376 H CB 0.939 30.274 29.762 -0.713 0.000 1.894 376 H HN 1.460 nan 8.280 nan 0.000 0.520 377 G N 0.078 108.459 108.800 -0.699 0.000 2.359 377 G HA2 0.017 3.977 3.960 0.000 0.000 0.303 377 G HA3 0.017 3.977 3.960 0.000 0.000 0.303 377 G C -1.310 173.179 174.900 -0.685 0.000 1.293 377 G CA -0.704 44.122 45.100 -0.457 0.000 0.964 377 G HN 0.715 nan 8.290 nan 0.000 0.531 378 N N 1.713 120.067 118.700 -0.577 0.000 2.802 378 N HA 0.223 4.963 4.740 0.000 0.000 0.288 378 N C -0.346 174.586 175.510 -0.964 0.000 1.268 378 N CA 0.254 52.601 53.050 -1.171 0.000 1.035 378 N CB -0.274 37.881 38.487 -0.552 0.000 1.353 378 N HN 0.578 nan 8.380 nan 0.000 0.522 379 W N -1.287 119.590 121.300 -0.705 0.000 3.083 379 W HA 0.506 5.166 4.660 0.000 0.000 0.333 379 W C -1.021 175.436 176.519 -0.104 0.000 1.217 379 W CA -0.809 56.394 57.345 -0.237 0.000 1.170 379 W CB 0.330 29.692 29.460 -0.164 0.000 1.437 379 W HN -0.326 nan 8.180 nan 0.000 0.557 380 S N 0.882 116.731 115.700 0.249 0.000 2.549 380 S HA 0.518 4.988 4.470 0.000 0.000 0.297 380 S C -0.419 174.263 174.600 0.138 0.000 1.115 380 S CA -0.593 57.599 58.200 -0.015 0.000 1.059 380 S CB 2.002 65.231 63.200 0.048 0.000 1.046 380 S HN 0.287 nan 8.310 nan 0.000 0.506 381 V N 3.675 123.529 119.914 -0.099 0.000 2.455 381 V HA 0.092 4.212 4.120 0.000 0.000 0.273 381 V C 0.729 176.872 176.094 0.082 0.000 1.045 381 V CA -0.054 62.284 62.300 0.063 0.000 0.976 381 V CB 0.889 32.605 31.823 -0.177 0.000 0.993 381 V HN 0.834 nan 8.190 nan 0.000 0.475 382 D N 3.313 123.818 120.400 0.176 0.000 2.097 382 D HA -0.019 4.621 4.640 0.000 0.000 0.197 382 D C 0.810 177.177 176.300 0.111 0.000 0.984 382 D CA 1.289 55.370 54.000 0.136 0.000 0.826 382 D CB 0.435 41.326 40.800 0.152 0.000 0.973 382 D HN 0.927 nan 8.370 nan 0.000 0.460 383 E N -1.133 119.150 120.200 0.138 0.000 2.389 383 E HA 0.168 4.518 4.350 0.000 0.000 0.281 383 E C -1.291 175.385 176.600 0.128 0.000 1.072 383 E CA -0.767 55.693 56.400 0.101 0.000 0.845 383 E CB 0.909 30.671 29.700 0.104 0.000 1.239 383 E HN -0.150 nan 8.360 nan 0.000 0.434 384 L N 3.763 125.027 121.223 0.068 0.000 2.319 384 L HA 0.276 4.616 4.340 0.000 0.000 0.280 384 L C 0.032 176.933 176.870 0.050 0.000 1.099 384 L CA -0.174 54.706 54.840 0.067 0.000 0.828 384 L CB 0.655 42.715 42.059 0.001 0.000 1.150 384 L HN 0.879 nan 8.230 nan 0.000 0.442 385 L N 5.275 126.503 121.223 0.007 0.000 2.408 385 L HA 0.353 4.693 4.340 0.000 0.000 0.215 385 L C 0.661 177.383 176.870 -0.246 0.000 1.081 385 L CA 0.481 55.264 54.840 -0.096 0.000 0.840 385 L CB 0.001 41.959 42.059 -0.169 0.000 1.002 385 L HN 0.814 nan 8.230 nan 0.000 0.468 386 A N -1.064 121.605 122.820 -0.250 0.000 2.415 386 A HA 0.630 4.950 4.320 0.000 0.000 0.294 386 A C -1.766 175.814 177.584 -0.007 0.000 1.019 386 A CA -0.481 51.441 52.037 -0.191 0.000 0.603 386 A CB 1.007 19.701 19.000 -0.509 0.000 1.382 386 A HN -0.268 nan 8.150 nan 0.000 0.483 387 V N 1.192 121.148 119.914 0.071 0.000 2.817 387 V HA 0.555 4.675 4.120 0.000 0.000 0.303 387 V C -1.706 174.477 176.094 0.147 0.000 1.151 387 V CA -0.461 61.900 62.300 0.101 0.000 0.929 387 V CB 2.093 33.952 31.823 0.059 0.000 1.030 387 V HN 0.896 nan 8.190 nan 0.000 0.427 388 D N 2.941 123.439 120.400 0.164 0.000 2.446 388 D HA 0.326 4.966 4.640 0.000 0.000 0.251 388 D C 0.842 177.198 176.300 0.094 0.000 1.137 388 D CA -0.270 53.831 54.000 0.169 0.000 0.890 388 D CB 1.691 42.656 40.800 0.275 0.000 1.071 388 D HN 0.658 nan 8.370 nan 0.000 0.528 389 E N 1.747 121.995 120.200 0.080 0.000 2.153 389 E HA -0.148 4.202 4.350 0.000 0.000 0.194 389 E C 1.362 177.994 176.600 0.054 0.000 0.988 389 E CA 0.929 57.364 56.400 0.059 0.000 0.811 389 E CB 0.528 30.265 29.700 0.062 0.000 0.746 389 E HN 0.430 nan 8.360 nan 0.000 0.466 390 K N 0.481 120.920 120.400 0.065 0.000 2.026 390 K HA -0.090 4.230 4.320 0.000 0.000 0.208 390 K C 2.123 178.757 176.600 0.056 0.000 1.048 390 K CA 1.221 57.543 56.287 0.058 0.000 0.929 390 K CB -0.104 32.435 32.500 0.065 0.000 0.713 390 K HN 0.017 nan 8.250 nan 0.000 0.439 391 A N 0.457 123.320 122.820 0.071 0.000 2.119 391 A HA 0.100 4.420 4.320 0.000 0.000 0.217 391 A C 1.521 179.122 177.584 0.028 0.000 1.153 391 A CA 1.051 53.127 52.037 0.065 0.000 0.692 391 A CB -0.511 18.555 19.000 0.109 0.000 0.799 391 A HN 0.467 nan 8.150 nan 0.000 0.458 392 G N -1.499 107.314 108.800 0.021 0.000 2.160 392 G HA2 -0.215 3.745 3.960 0.000 0.000 0.251 392 G HA3 -0.215 3.745 3.960 0.000 0.000 0.251 392 G C -0.015 174.858 174.900 -0.044 0.000 1.008 392 G CA 0.579 45.678 45.100 -0.002 0.000 0.724 392 G HN 0.471 nan 8.290 nan 0.000 0.514 393 L N -0.472 120.701 121.223 -0.083 0.000 2.322 393 L HA 0.852 5.192 4.340 0.000 0.000 0.269 393 L C 0.424 177.126 176.870 -0.281 0.000 1.012 393 L CA -0.718 53.980 54.840 -0.235 0.000 0.815 393 L CB 2.218 44.018 42.059 -0.432 0.000 1.295 393 L HN 0.328 nan 8.230 nan 0.000 0.438 394 A N 1.615 124.235 122.820 -0.333 0.000 2.375 394 A HA 0.636 4.956 4.320 0.000 0.000 0.291 394 A C -1.531 175.919 177.584 -0.223 0.000 1.160 394 A CA -0.351 51.572 52.037 -0.191 0.000 0.747 394 A CB 0.318 19.291 19.000 -0.047 0.000 1.170 394 A HN 0.506 nan 8.150 nan 0.000 0.458 395 Y N 1.966 122.203 120.300 -0.105 0.000 2.313 395 Y HA 0.567 5.117 4.550 0.000 0.000 0.332 395 Y C 0.116 175.969 175.900 -0.078 0.000 1.071 395 Y CA -0.211 57.768 58.100 -0.202 0.000 1.169 395 Y CB 0.754 38.854 38.460 -0.600 0.000 1.192 395 Y HN 0.693 nan 8.280 nan 0.000 0.487 396 F N 0.212 120.174 119.950 0.020 0.000 2.664 396 F HA 0.804 5.331 4.527 0.000 0.000 0.317 396 F C -1.315 174.535 175.800 0.084 0.000 1.108 396 F CA -1.788 56.227 58.000 0.025 0.000 0.957 396 F CB 1.801 40.817 39.000 0.028 0.000 1.365 396 F HN 0.336 nan 8.300 nan 0.000 0.475 397 R N 1.770 122.447 120.500 0.294 0.000 2.670 397 R HA 0.908 5.248 4.340 0.000 0.000 0.289 397 R C -1.615 174.897 176.300 0.353 0.000 0.965 397 R CA -0.590 55.617 56.100 0.178 0.000 0.899 397 R CB 1.769 32.146 30.300 0.128 0.000 1.173 397 R HN 1.371 nan 8.270 nan 0.000 0.456 398 A N 1.690 124.675 122.820 0.274 0.000 2.544 398 A HA 0.538 4.858 4.320 0.000 0.000 0.291 398 A C -1.332 176.326 177.584 0.122 0.000 1.055 398 A CA -0.448 51.742 52.037 0.255 0.000 0.651 398 A CB 1.216 20.464 19.000 0.412 0.000 1.296 398 A HN 0.770 nan 8.150 nan 0.000 0.431 399 G N 0.268 109.103 108.800 0.058 0.000 2.955 399 G HA2 0.529 4.489 3.960 0.000 0.000 0.336 399 G HA3 0.529 4.489 3.960 0.000 0.000 0.336 399 G C 0.290 175.092 174.900 -0.164 0.000 1.264 399 G CA -0.208 44.876 45.100 -0.026 0.000 1.096 399 G HN 0.603 nan 8.290 nan 0.000 0.486 400 I N 0.654 120.973 120.570 -0.418 0.000 2.339 400 I HA -0.017 4.153 4.170 0.000 0.000 0.245 400 I C 2.448 178.344 176.117 -0.369 0.000 1.096 400 I CA 0.639 61.483 61.300 -0.761 0.000 1.408 400 I CB 0.088 37.360 38.000 -1.215 0.000 1.092 400 I HN 0.397 nan 8.210 nan 0.000 0.423 401 E N 0.756 120.813 120.200 -0.238 0.000 2.072 401 E HA -0.101 4.249 4.350 0.000 0.000 0.191 401 E C 0.599 177.130 176.600 -0.115 0.000 0.985 401 E CA 1.310 57.620 56.400 -0.151 0.000 0.801 401 E CB 0.195 29.823 29.700 -0.119 0.000 0.750 401 E HN 0.541 nan 8.360 nan 0.000 0.452 402 S N -2.672 112.962 115.700 -0.110 0.000 2.587 402 S HA 0.505 4.975 4.470 0.000 0.000 0.269 402 S C 0.075 174.624 174.600 -0.085 0.000 1.154 402 S CA -0.381 57.761 58.200 -0.097 0.000 0.824 402 S CB 1.354 64.481 63.200 -0.122 0.000 1.118 402 S HN 0.009 nan 8.310 nan 0.000 0.462 403 A N 0.597 123.367 122.820 -0.084 0.000 2.206 403 A HA 0.171 4.491 4.320 0.000 0.000 0.211 403 A C 1.944 179.482 177.584 -0.077 0.000 1.158 403 A CA 0.458 52.454 52.037 -0.068 0.000 0.761 403 A CB -0.580 18.360 19.000 -0.099 0.000 0.801 403 A HN 0.761 nan 8.150 nan 0.000 0.473 404 R N -0.152 120.271 120.500 -0.129 0.000 2.189 404 R HA 0.048 4.388 4.340 0.000 0.000 0.218 404 R C 0.242 176.457 176.300 -0.142 0.000 1.074 404 R CA 0.718 56.709 56.100 -0.182 0.000 0.991 404 R CB 0.103 30.184 30.300 -0.364 0.000 0.883 404 R HN 0.619 nan 8.270 nan 0.000 0.457 405 E N -0.625 119.515 120.200 -0.099 0.000 2.334 405 E HA 0.338 4.688 4.350 0.000 0.000 0.256 405 E C -1.003 175.600 176.600 0.006 0.000 0.958 405 E CA -0.639 55.734 56.400 -0.045 0.000 0.821 405 E CB 2.066 31.731 29.700 -0.059 0.000 1.269 405 E HN -0.205 nan 8.360 nan 0.000 0.413 406 S N 0.559 116.289 115.700 0.050 0.000 2.545 406 S HA 0.150 4.620 4.470 0.000 0.000 0.259 406 S C -1.519 173.113 174.600 0.054 0.000 1.092 406 S CA -0.678 57.566 58.200 0.073 0.000 1.054 406 S CB 0.475 63.735 63.200 0.099 0.000 1.146 406 S HN 0.338 nan 8.310 nan 0.000 0.447 407 Q N 2.805 122.583 119.800 -0.038 0.000 2.297 407 Q HA 0.567 4.907 4.340 0.000 0.000 0.269 407 Q C -0.393 175.348 176.000 -0.431 0.000 1.051 407 Q CA -0.749 54.840 55.803 -0.357 0.000 0.869 407 Q CB 1.715 30.126 28.738 -0.545 0.000 1.346 407 Q HN 0.737 nan 8.270 nan 0.000 0.457 408 I N 1.668 121.813 120.570 -0.709 0.000 2.331 408 I HA 0.298 4.468 4.170 0.000 0.000 0.292 408 I C -0.847 174.780 176.117 -0.816 0.000 0.998 408 I CA -0.427 60.523 61.300 -0.585 0.000 1.267 408 I CB 0.404 38.085 38.000 -0.531 0.000 1.386 408 I HN 0.405 nan 8.210 nan 0.000 0.476 409 Y N 4.078 123.979 120.300 -0.667 0.000 2.602 409 Y HA 0.767 5.317 4.550 0.000 0.000 0.342 409 Y C 0.086 175.651 175.900 -0.559 0.000 1.029 409 Y CA -0.992 56.676 58.100 -0.720 0.000 1.080 409 Y CB 1.979 39.758 38.460 -1.134 0.000 1.284 409 Y HN 0.533 nan 8.280 nan 0.000 0.485 410 A N 1.198 123.931 122.820 -0.145 0.000 2.371 410 A HA 0.802 5.122 4.320 0.000 0.000 0.311 410 A C -1.778 175.785 177.584 -0.035 0.000 1.068 410 A CA -0.764 51.181 52.037 -0.152 0.000 0.744 410 A CB 1.586 20.490 19.000 -0.161 0.000 1.239 410 A HN 0.589 nan 8.150 nan 0.000 0.435 411 V N 3.492 123.399 119.914 -0.012 0.000 2.925 411 V HA 0.758 4.878 4.120 0.000 0.000 0.311 411 V C -2.646 173.420 176.094 -0.047 0.000 1.104 411 V CA -2.151 60.176 62.300 0.043 0.000 0.954 411 V CB 2.912 34.839 31.823 0.173 0.000 1.022 411 V HN 0.831 nan 8.190 nan 0.000 0.427 412 P HA 0.274 nan 4.420 nan 0.000 0.279 412 P C 0.896 178.172 177.300 -0.040 0.000 1.239 412 P CA -0.199 62.872 63.100 -0.050 0.000 0.789 412 P CB 1.377 33.059 31.700 -0.031 0.000 0.933 413 L N 2.059 123.258 121.223 -0.040 0.000 2.187 413 L HA -0.217 4.123 4.340 0.000 0.000 0.213 413 L C 2.257 179.117 176.870 -0.018 0.000 1.100 413 L CA 1.704 56.528 54.840 -0.026 0.000 0.765 413 L CB -0.817 41.234 42.059 -0.014 0.000 0.904 413 L HN 0.512 nan 8.230 nan 0.000 0.437 414 Q N 0.083 119.873 119.800 -0.016 0.000 2.322 414 Q HA 0.338 4.678 4.340 0.000 0.000 0.203 414 Q C 0.601 176.590 176.000 -0.017 0.000 0.923 414 Q CA 0.388 56.184 55.803 -0.012 0.000 0.949 414 Q CB 0.312 29.045 28.738 -0.008 0.000 1.039 414 Q HN 0.259 nan 8.270 nan 0.000 0.496 415 G N -1.108 107.678 108.800 -0.023 0.000 2.663 415 G HA2 0.275 4.235 3.960 0.000 0.000 0.686 415 G HA3 0.275 4.235 3.960 0.000 0.000 0.686 415 G C -0.140 174.754 174.900 -0.010 0.000 1.246 415 G CA -0.494 44.593 45.100 -0.023 0.000 0.795 415 G HN 0.969 nan 8.290 nan 0.000 0.627 416 G N -0.404 108.398 108.800 0.002 0.000 2.350 416 G HA2 0.559 4.519 3.960 0.000 0.000 0.276 416 G HA3 0.559 4.519 3.960 0.000 0.000 0.276 416 G C -0.794 174.119 174.900 0.022 0.000 1.313 416 G CA 0.141 45.248 45.100 0.011 0.000 0.903 416 G HN 0.972 nan 8.290 nan 0.000 0.490 417 Q N 0.402 120.213 119.800 0.017 0.000 2.230 417 Q HA 0.507 4.847 4.340 0.000 0.000 0.248 417 Q C -2.265 173.748 176.000 0.022 0.000 0.915 417 Q CA -1.471 54.340 55.803 0.014 0.000 0.900 417 Q CB 1.644 30.388 28.738 0.010 0.000 1.229 417 Q HN 0.271 nan 8.270 nan 0.000 0.439 418 P HA 0.018 nan 4.420 nan 0.000 0.276 418 P C -1.446 175.897 177.300 0.071 0.000 1.230 418 P CA -0.142 62.998 63.100 0.068 0.000 0.776 418 P CB 0.531 32.231 31.700 0.000 0.000 0.888 419 Q N 2.587 122.431 119.800 0.074 0.000 2.333 419 Q HA 0.308 4.648 4.340 0.000 0.000 0.268 419 Q C -0.463 175.524 176.000 -0.021 0.000 1.007 419 Q CA -0.994 54.825 55.803 0.026 0.000 0.810 419 Q CB 1.180 29.914 28.738 -0.008 0.000 1.264 419 Q HN 0.270 nan 8.270 nan 0.000 0.452 420 R N 3.844 124.277 120.500 -0.111 0.000 2.442 420 R HA 0.136 4.476 4.340 0.000 0.000 0.291 420 R C 0.162 176.242 176.300 -0.366 0.000 1.069 420 R CA 0.294 56.112 56.100 -0.470 0.000 1.022 420 R CB 0.446 30.442 30.300 -0.507 0.000 0.976 420 R HN 0.817 nan 8.270 nan 0.000 0.443 421 L N 2.262 123.216 121.223 -0.447 0.000 2.388 421 L HA 0.142 4.482 4.340 0.000 0.000 0.209 421 L C 0.625 177.247 176.870 -0.413 0.000 1.061 421 L CA 0.035 54.697 54.840 -0.297 0.000 0.834 421 L CB 0.036 41.989 42.059 -0.178 0.000 1.029 421 L HN 0.671 nan 8.230 nan 0.000 0.473 422 S N -0.082 115.254 115.700 -0.607 0.000 2.565 422 S HA 0.237 4.707 4.470 0.000 0.000 0.274 422 S C 0.603 174.860 174.600 -0.572 0.000 1.309 422 S CA -0.767 56.996 58.200 -0.727 0.000 1.043 422 S CB 1.539 64.053 63.200 -1.143 0.000 0.939 422 S HN 0.047 nan 8.310 nan 0.000 0.504 423 K N 1.646 121.768 120.400 -0.462 0.000 2.190 423 K HA 0.299 4.619 4.320 0.000 0.000 0.202 423 K C 1.095 177.501 176.600 -0.322 0.000 1.045 423 K CA 0.761 56.856 56.287 -0.318 0.000 0.976 423 K CB -1.065 31.315 32.500 -0.201 0.000 0.849 423 K HN 0.773 nan 8.250 nan 0.000 0.468 424 A N 4.889 127.439 122.820 -0.449 0.000 2.498 424 A HA 0.226 4.546 4.320 0.000 0.000 0.239 424 A C -2.149 175.282 177.584 -0.254 0.000 1.068 424 A CA -0.818 50.892 52.037 -0.544 0.000 0.766 424 A CB -0.427 17.640 19.000 -1.555 0.000 1.003 424 A HN 0.048 nan 8.150 nan 0.000 0.497 425 P HA 0.557 nan 4.420 nan 0.000 0.281 425 P C 0.398 177.709 177.300 0.018 0.000 1.249 425 P CA 0.916 63.985 63.100 -0.053 0.000 0.810 425 P CB 1.440 33.114 31.700 -0.043 0.000 1.008 426 G N 1.299 110.119 108.800 0.035 0.000 2.362 426 G HA2 -0.018 3.942 3.960 0.000 0.000 0.517 426 G HA3 -0.018 3.942 3.960 0.000 0.000 0.517 426 G C -0.943 174.009 174.900 0.087 0.000 1.256 426 G CA -0.842 44.292 45.100 0.058 0.000 1.027 426 G HN 0.415 nan 8.290 nan 0.000 0.491 427 M N 2.030 121.673 119.600 0.072 0.000 2.143 427 M HA 0.396 4.876 4.480 0.000 0.000 0.348 427 M C 0.189 176.540 176.300 0.085 0.000 1.375 427 M CA 0.076 55.429 55.300 0.088 0.000 1.124 427 M CB 0.028 32.669 32.600 0.068 0.000 1.669 427 M HN 0.568 nan 8.290 nan 0.000 0.469 428 H N 0.547 119.677 119.070 0.099 0.000 2.616 428 H HA 0.626 5.182 4.556 0.000 0.000 0.353 428 H C -0.633 174.754 175.328 0.097 0.000 1.170 428 H CA -0.406 55.716 56.048 0.124 0.000 1.212 428 H CB 2.296 32.061 29.762 0.005 0.000 1.653 428 H HN 0.627 nan 8.280 nan 0.000 0.537 429 S N 0.486 116.338 115.700 0.253 0.000 2.543 429 S HA 0.679 5.149 4.470 0.000 0.000 0.271 429 S C -1.597 173.116 174.600 0.189 0.000 1.148 429 S CA -0.352 57.955 58.200 0.178 0.000 0.914 429 S CB 1.264 64.549 63.200 0.142 0.000 1.096 429 S HN 0.892 nan 8.310 nan 0.000 0.471 430 A N 2.158 125.076 122.820 0.164 0.000 2.569 430 A HA 0.942 5.262 4.320 0.000 0.000 0.290 430 A C -0.911 176.797 177.584 0.208 0.000 1.136 430 A CA -0.509 51.636 52.037 0.179 0.000 0.710 430 A CB 1.669 20.722 19.000 0.087 0.000 1.303 430 A HN 1.669 nan 8.150 nan 0.000 0.413 431 S N 0.017 115.849 115.700 0.221 0.000 2.736 431 S HA 0.708 5.178 4.470 0.000 0.000 0.285 431 S C -1.130 173.618 174.600 0.246 0.000 1.163 431 S CA -0.442 57.907 58.200 0.249 0.000 1.025 431 S CB 0.326 63.636 63.200 0.183 0.000 1.030 431 S HN 0.490 nan 8.310 nan 0.000 0.486 432 F N 2.279 122.276 119.950 0.078 0.000 2.371 432 F HA 0.684 5.211 4.527 0.000 0.000 0.329 432 F C 1.215 177.047 175.800 0.053 0.000 1.107 432 F CA -0.328 57.714 58.000 0.069 0.000 1.137 432 F CB 0.870 39.854 39.000 -0.027 0.000 1.214 432 F HN 0.898 nan 8.300 nan 0.000 0.536 433 A N 2.794 125.716 122.820 0.171 0.000 2.406 433 A HA 0.195 4.515 4.320 0.000 0.000 0.243 433 A C 1.655 179.313 177.584 0.124 0.000 1.082 433 A CA -0.317 51.771 52.037 0.085 0.000 0.786 433 A CB 0.088 19.099 19.000 0.020 0.000 1.029 433 A HN 0.952 nan 8.150 nan 0.000 0.495 434 R N 0.206 120.750 120.500 0.073 0.000 2.159 434 R HA -0.146 4.194 4.340 0.000 0.000 0.237 434 R C 1.475 177.830 176.300 0.092 0.000 1.131 434 R CA 1.662 57.815 56.100 0.087 0.000 0.982 434 R CB -0.159 30.179 30.300 0.064 0.000 0.868 434 R HN 0.834 nan 8.270 nan 0.000 0.453 435 N N 0.159 118.905 118.700 0.075 0.000 2.104 435 N HA -0.168 4.572 4.740 0.000 0.000 0.190 435 N C 0.790 176.374 175.510 0.123 0.000 1.024 435 N CA 1.785 54.883 53.050 0.080 0.000 0.853 435 N CB 0.067 38.586 38.487 0.054 0.000 1.008 435 N HN 0.341 nan 8.380 nan 0.000 0.424 436 A N -1.370 121.551 122.820 0.167 0.000 3.294 436 A HA -0.203 4.117 4.320 0.000 0.000 0.242 436 A C 1.693 179.396 177.584 0.198 0.000 1.282 436 A CA 1.431 53.608 52.037 0.235 0.000 1.197 436 A CB -2.442 16.680 19.000 0.203 0.000 1.145 436 A HN 0.491 nan 8.150 nan 0.000 0.898 437 S N -1.635 114.142 115.700 0.129 0.000 2.406 437 S HA 0.452 4.922 4.470 0.000 0.000 0.224 437 S C 0.769 175.383 174.600 0.024 0.000 1.030 437 S CA 1.041 59.290 58.200 0.081 0.000 0.958 437 S CB -0.006 63.225 63.200 0.051 0.000 0.811 437 S HN 1.458 nan 8.310 nan 0.000 0.489 438 V N 0.963 120.867 119.914 -0.017 0.000 3.160 438 V HA 0.727 4.847 4.120 0.000 0.000 0.310 438 V C -1.200 174.757 176.094 -0.228 0.000 1.181 438 V CA -1.135 61.082 62.300 -0.138 0.000 1.047 438 V CB 1.784 33.538 31.823 -0.114 0.000 1.068 438 V HN 0.587 nan 8.190 nan 0.000 0.441 439 Y N -0.725 119.324 120.300 -0.419 0.000 2.558 439 Y HA 0.823 5.373 4.550 0.000 0.000 0.333 439 Y C -1.424 174.341 175.900 -0.224 0.000 1.125 439 Y CA -1.358 56.411 58.100 -0.551 0.000 1.039 439 Y CB 1.243 38.778 38.460 -1.542 0.000 1.331 439 Y HN 0.298 nan 8.280 nan 0.000 0.456 440 V N 3.438 123.399 119.914 0.079 0.000 2.407 440 V HA 0.289 4.409 4.120 0.000 0.000 0.278 440 V C -0.664 175.605 176.094 0.292 0.000 1.037 440 V CA -0.261 62.109 62.300 0.117 0.000 0.900 440 V CB 1.258 33.129 31.823 0.080 0.000 0.983 440 V HN 0.809 nan 8.190 nan 0.000 0.459 441 D N 3.187 123.810 120.400 0.372 0.000 2.303 441 D HA 0.383 5.023 4.640 0.000 0.000 0.236 441 D C -0.670 175.875 176.300 0.408 0.000 1.068 441 D CA -0.105 54.173 54.000 0.463 0.000 0.830 441 D CB 1.797 42.945 40.800 0.580 0.000 1.109 441 D HN 0.481 nan 8.370 nan 0.000 0.496 442 S N 5.005 120.894 115.700 0.314 0.000 2.498 442 S HA 0.682 5.152 4.470 0.000 0.000 0.317 442 S C -0.638 174.063 174.600 0.168 0.000 1.090 442 S CA -0.951 57.336 58.200 0.146 0.000 1.089 442 S CB 0.967 64.210 63.200 0.072 0.000 0.997 442 S HN 0.504 nan 8.310 nan 0.000 0.470 443 W N 1.023 122.245 121.300 -0.130 0.000 2.961 443 W HA 0.790 5.450 4.660 0.000 0.000 0.368 443 W C -1.014 175.382 176.519 -0.205 0.000 1.213 443 W CA -0.903 56.267 57.345 -0.291 0.000 1.173 443 W CB 0.582 29.550 29.460 -0.820 0.000 1.487 443 W HN 0.823 nan 8.180 nan 0.000 0.585 444 S N 0.767 116.498 115.700 0.052 0.000 2.686 444 S HA 0.526 4.996 4.470 0.000 0.000 0.273 444 S C -1.585 173.133 174.600 0.196 0.000 1.060 444 S CA -0.733 57.455 58.200 -0.020 0.000 0.845 444 S CB 1.289 64.438 63.200 -0.085 0.000 1.086 444 S HN 1.023 nan 8.310 nan 0.000 0.461 445 N N -0.094 118.737 118.700 0.219 0.000 2.774 445 N HA 0.405 5.145 4.740 0.000 0.000 0.264 445 N C 0.478 176.151 175.510 0.273 0.000 1.415 445 N CA -0.641 52.542 53.050 0.222 0.000 0.815 445 N CB 0.169 38.786 38.487 0.217 0.000 1.514 445 N HN 0.670 nan 8.380 nan 0.000 0.523 446 N N -0.777 118.069 118.700 0.243 0.000 2.586 446 N HA -0.142 4.598 4.740 0.000 0.000 0.191 446 N C -0.256 175.408 175.510 0.258 0.000 1.085 446 N CA 1.071 54.237 53.050 0.194 0.000 0.921 446 N CB -0.228 38.355 38.487 0.161 0.000 0.954 446 N HN 0.466 nan 8.380 nan 0.000 0.448 447 S N -1.187 114.698 115.700 0.309 0.000 2.578 447 S HA 0.126 4.596 4.470 0.000 0.000 0.228 447 S C -0.012 174.726 174.600 0.230 0.000 1.022 447 S CA -0.359 58.020 58.200 0.299 0.000 0.967 447 S CB 0.907 64.216 63.200 0.182 0.000 0.914 447 S HN 0.328 nan 8.310 nan 0.000 0.515 448 T N 3.953 118.605 114.554 0.164 0.000 2.840 448 T HA 0.454 4.804 4.350 0.000 0.000 0.287 448 T C -2.998 171.377 174.700 -0.541 0.000 0.991 448 T CA -1.606 60.386 62.100 -0.181 0.000 0.964 448 T CB 1.997 70.813 68.868 -0.086 0.000 0.954 448 T HN -0.135 nan 8.240 nan 0.000 0.438 449 P HA 0.218 nan 4.420 nan 0.000 0.270 449 P C -2.579 174.232 177.300 -0.815 0.000 1.223 449 P CA -1.341 60.879 63.100 -1.467 0.000 0.785 449 P CB -0.460 30.515 31.700 -1.208 0.000 0.923 450 P HA -0.059 nan 4.420 nan 0.000 0.260 450 P C -0.458 176.519 177.300 -0.538 0.000 1.172 450 P CA 0.917 63.740 63.100 -0.462 0.000 0.760 450 P CB 0.118 31.657 31.700 -0.269 0.000 0.773 451 Q N 2.628 121.986 119.800 -0.737 0.000 2.297 451 Q HA 0.594 4.934 4.340 0.000 0.000 0.268 451 Q C -0.149 175.590 176.000 -0.437 0.000 1.045 451 Q CA -0.557 54.825 55.803 -0.703 0.000 0.861 451 Q CB 2.060 30.082 28.738 -1.192 0.000 1.344 451 Q HN 0.409 nan 8.270 nan 0.000 0.452 452 I N 1.478 121.895 120.570 -0.255 0.000 2.595 452 I HA 0.262 4.432 4.170 0.000 0.000 0.276 452 I C -0.566 175.501 176.117 -0.084 0.000 1.109 452 I CA -0.152 61.073 61.300 -0.124 0.000 1.084 452 I CB 1.390 39.297 38.000 -0.154 0.000 1.206 452 I HN 0.379 nan 8.210 nan 0.000 0.486 453 E N 4.145 124.380 120.200 0.057 0.000 2.221 453 E HA 0.603 4.953 4.350 0.000 0.000 0.268 453 E C -1.287 175.239 176.600 -0.124 0.000 0.933 453 E CA -1.014 55.353 56.400 -0.055 0.000 0.809 453 E CB 3.213 32.934 29.700 0.035 0.000 1.190 453 E HN 0.226 nan 8.360 nan 0.000 0.406 454 L N 2.389 123.354 121.223 -0.430 0.000 2.322 454 L HA 0.575 4.915 4.340 0.000 0.000 0.279 454 L C -1.671 174.752 176.870 -0.746 0.000 1.036 454 L CA -0.056 54.528 54.840 -0.428 0.000 0.807 454 L CB 0.413 42.228 42.059 -0.406 0.000 1.226 454 L HN 0.446 nan 8.230 nan 0.000 0.433 455 F N 2.715 122.281 119.950 -0.639 0.000 2.613 455 F HA 0.619 5.146 4.527 0.000 0.000 0.314 455 F C 0.149 175.544 175.800 -0.676 0.000 1.075 455 F CA -0.843 56.734 58.000 -0.706 0.000 0.945 455 F CB 1.556 39.952 39.000 -1.006 0.000 1.310 455 F HN 0.285 nan 8.300 nan 0.000 0.467 456 R N 0.338 120.732 120.500 -0.178 0.000 2.500 456 R HA 0.561 4.901 4.340 0.000 0.000 0.275 456 R C 0.904 177.193 176.300 -0.017 0.000 1.051 456 R CA -0.044 55.995 56.100 -0.102 0.000 1.088 456 R CB 1.237 31.523 30.300 -0.023 0.000 1.063 456 R HN 0.890 nan 8.270 nan 0.000 0.511 457 A N 2.183 125.039 122.820 0.060 0.000 1.997 457 A HA -0.290 4.030 4.320 0.000 0.000 0.221 457 A C 1.537 179.299 177.584 0.297 0.000 1.172 457 A CA 2.315 54.468 52.037 0.193 0.000 0.645 457 A CB -0.746 18.376 19.000 0.204 0.000 0.813 457 A HN 0.889 nan 8.150 nan 0.000 0.454 458 N N -1.743 117.074 118.700 0.195 0.000 2.494 458 N HA 0.258 4.998 4.740 0.000 0.000 0.182 458 N C 1.064 176.655 175.510 0.136 0.000 1.076 458 N CA 1.505 54.654 53.050 0.166 0.000 0.908 458 N CB -0.351 38.200 38.487 0.107 0.000 0.967 458 N HN 0.906 nan 8.380 nan 0.000 0.449 459 G N -0.420 108.467 108.800 0.146 0.000 2.168 459 G HA2 -0.246 3.714 3.960 0.000 0.000 0.197 459 G HA3 -0.246 3.714 3.960 0.000 0.000 0.197 459 G C -0.573 174.425 174.900 0.163 0.000 0.997 459 G CA 0.043 45.206 45.100 0.106 0.000 0.658 459 G HN 0.748 nan 8.290 nan 0.000 0.513 460 E N 0.769 121.059 120.200 0.151 0.000 2.197 460 E HA 0.585 4.935 4.350 0.000 0.000 0.281 460 E C 0.238 176.886 176.600 0.079 0.000 0.995 460 E CA -0.974 55.502 56.400 0.126 0.000 0.808 460 E CB 1.610 31.336 29.700 0.042 0.000 1.093 460 E HN 0.236 nan 8.360 nan 0.000 0.394 461 K N 3.622 124.005 120.400 -0.028 0.000 2.448 461 K HA 0.013 4.333 4.320 0.000 0.000 0.278 461 K C 0.175 176.576 176.600 -0.332 0.000 1.009 461 K CA 0.079 56.068 56.287 -0.497 0.000 0.995 461 K CB 0.495 32.718 32.500 -0.462 0.000 0.917 461 K HN 0.728 nan 8.250 nan 0.000 0.481 462 I N 2.233 122.552 120.570 -0.418 0.000 3.616 462 I HA 0.160 4.330 4.170 0.000 0.000 0.296 462 I C 0.522 176.513 176.117 -0.210 0.000 1.226 462 I CA 0.102 61.262 61.300 -0.234 0.000 1.394 462 I CB 0.696 38.576 38.000 -0.199 0.000 1.171 462 I HN 0.732 nan 8.210 nan 0.000 0.442 463 A N -0.112 122.503 122.820 -0.342 0.000 2.410 463 A HA 0.615 4.935 4.320 0.000 0.000 0.300 463 A C -0.937 176.442 177.584 -0.342 0.000 1.077 463 A CA -0.351 51.516 52.037 -0.283 0.000 0.610 463 A CB 0.806 19.621 19.000 -0.308 0.000 1.371 463 A HN -0.109 nan 8.150 nan 0.000 0.510 464 T N 1.992 116.390 114.554 -0.260 0.000 3.141 464 T HA 0.361 4.711 4.350 0.000 0.000 0.377 464 T C 1.103 175.666 174.700 -0.228 0.000 1.258 464 T CA -0.348 61.619 62.100 -0.221 0.000 1.263 464 T CB -0.042 68.743 68.868 -0.139 0.000 1.066 464 T HN 0.528 nan 8.240 nan 0.000 0.546 465 L N 1.560 122.601 121.223 -0.304 0.000 2.211 465 L HA -0.024 4.316 4.340 0.000 0.000 0.216 465 L C 0.934 177.642 176.870 -0.271 0.000 1.092 465 L CA 1.180 55.830 54.840 -0.317 0.000 0.767 465 L CB -0.271 41.585 42.059 -0.338 0.000 0.894 465 L HN 0.346 nan 8.230 nan 0.000 0.437 466 V N -0.447 119.328 119.914 -0.232 0.000 2.752 466 V HA 0.242 4.362 4.120 0.000 0.000 0.302 466 V C -0.758 175.233 176.094 -0.172 0.000 1.133 466 V CA -0.751 61.419 62.300 -0.218 0.000 0.919 466 V CB 2.173 33.842 31.823 -0.257 0.000 1.026 466 V HN 0.117 nan 8.190 nan 0.000 0.429 467 E N 4.811 124.929 120.200 -0.136 0.000 2.152 467 E HA 0.299 4.649 4.350 0.000 0.000 0.285 467 E C -0.734 175.802 176.600 -0.106 0.000 1.043 467 E CA -0.189 56.146 56.400 -0.108 0.000 0.839 467 E CB 0.653 30.308 29.700 -0.074 0.000 1.069 467 E HN 0.656 nan 8.360 nan 0.000 0.399 468 N N 4.430 123.057 118.700 -0.122 0.000 2.762 468 N HA 0.102 4.842 4.740 0.000 0.000 0.252 468 N C -1.870 173.577 175.510 -0.106 0.000 1.269 468 N CA -0.555 52.438 53.050 -0.095 0.000 0.799 468 N CB 0.741 39.124 38.487 -0.173 0.000 1.173 468 N HN 0.332 nan 8.380 nan 0.000 0.516 469 D N 1.948 122.320 120.400 -0.045 0.000 2.193 469 D HA 0.222 4.862 4.640 0.000 0.000 0.244 469 D C 1.152 177.353 176.300 -0.166 0.000 1.064 469 D CA -0.454 53.484 54.000 -0.104 0.000 0.845 469 D CB 1.478 42.241 40.800 -0.062 0.000 1.148 469 D HN 0.338 nan 8.370 nan 0.000 0.464 470 L N 2.767 123.808 121.223 -0.304 0.000 2.201 470 L HA -0.066 4.274 4.340 0.000 0.000 0.212 470 L C 2.238 179.017 176.870 -0.152 0.000 1.105 470 L CA 0.884 55.488 54.840 -0.392 0.000 0.775 470 L CB -0.264 41.630 42.059 -0.274 0.000 0.913 470 L HN 0.512 nan 8.230 nan 0.000 0.440 471 A N -0.088 122.679 122.820 -0.089 0.000 1.851 471 A HA -0.253 4.067 4.320 0.000 0.000 0.216 471 A C 1.013 178.589 177.584 -0.014 0.000 1.195 471 A CA 1.173 53.187 52.037 -0.038 0.000 0.622 471 A CB -0.679 18.303 19.000 -0.030 0.000 0.831 471 A HN 0.409 nan 8.150 nan 0.000 0.444 472 D N 0.441 120.839 120.400 -0.002 0.000 2.570 472 D HA 0.034 4.674 4.640 0.000 0.000 0.243 472 D C -1.192 175.136 176.300 0.047 0.000 1.171 472 D CA -0.958 53.054 54.000 0.021 0.000 0.879 472 D CB 0.701 41.520 40.800 0.030 0.000 1.143 472 D HN 0.183 nan 8.370 nan 0.000 0.511 473 P HA -0.169 nan 4.420 nan 0.000 0.228 473 P C 0.830 178.152 177.300 0.037 0.000 1.151 473 P CA 0.711 63.825 63.100 0.023 0.000 0.770 473 P CB 0.285 31.986 31.700 0.001 0.000 0.786 474 K N -0.610 119.815 120.400 0.042 0.000 2.487 474 K HA -0.044 4.276 4.320 0.000 0.000 0.192 474 K C 0.914 177.543 176.600 0.050 0.000 1.027 474 K CA -0.061 56.243 56.287 0.028 0.000 1.054 474 K CB -0.989 31.515 32.500 0.007 0.000 0.824 474 K HN 0.168 nan 8.250 nan 0.000 0.510 475 H N 1.696 120.767 119.070 0.002 0.000 2.819 475 H HA 0.060 4.616 4.556 0.000 0.000 0.303 475 H C -1.796 173.576 175.328 0.074 0.000 1.058 475 H CA -1.796 54.267 56.048 0.025 0.000 1.471 475 H CB 1.297 31.073 29.762 0.022 0.000 1.480 475 H HN 0.005 nan 8.280 nan 0.000 0.517 476 P HA -0.216 nan 4.420 nan 0.000 0.224 476 P C 0.621 178.181 177.300 0.434 0.000 1.138 476 P CA 1.322 64.502 63.100 0.132 0.000 0.780 476 P CB -0.134 31.570 31.700 0.008 0.000 0.755 477 Y N -0.848 119.792 120.300 0.566 0.000 2.430 477 Y HA 0.440 4.990 4.550 0.000 0.000 0.248 477 Y C 2.389 178.458 175.900 0.282 0.000 1.108 477 Y CA 0.473 58.895 58.100 0.537 0.000 1.264 477 Y CB 0.023 38.804 38.460 0.535 0.000 1.172 477 Y HN -0.104 nan 8.280 nan 0.000 0.520 478 A N 1.343 124.310 122.820 0.245 0.000 1.881 478 A HA -0.345 3.975 4.320 0.000 0.000 0.219 478 A C 2.201 179.701 177.584 -0.139 0.000 1.215 478 A CA 2.599 54.660 52.037 0.040 0.000 0.648 478 A CB -0.735 18.288 19.000 0.038 0.000 0.832 478 A HN 0.561 nan 8.150 nan 0.000 0.455 479 R N -1.715 118.599 120.500 -0.310 0.000 2.134 479 R HA -0.239 4.101 4.340 0.000 0.000 0.248 479 R C 1.942 177.898 176.300 -0.573 0.000 1.143 479 R CA 2.201 57.986 56.100 -0.526 0.000 0.957 479 R CB -0.659 29.127 30.300 -0.856 0.000 0.867 479 R HN 0.766 nan 8.270 nan 0.000 0.441 480 Y N -0.199 119.932 120.300 -0.282 0.000 2.523 480 Y HA 0.115 4.665 4.550 0.000 0.000 0.279 480 Y C 2.268 177.953 175.900 -0.359 0.000 1.139 480 Y CA -0.068 57.801 58.100 -0.386 0.000 1.296 480 Y CB -0.376 37.709 38.460 -0.626 0.000 1.045 480 Y HN -0.001 nan 8.280 nan 0.000 0.538 481 R N 1.673 122.066 120.500 -0.179 0.000 2.162 481 R HA -0.331 4.009 4.340 0.000 0.000 0.245 481 R C 1.886 178.227 176.300 0.069 0.000 1.129 481 R CA 2.776 58.914 56.100 0.065 0.000 0.940 481 R CB -0.139 30.219 30.300 0.097 0.000 0.875 481 R HN 0.500 nan 8.270 nan 0.000 0.437 482 E N 0.050 120.258 120.200 0.013 0.000 2.204 482 E HA -0.133 4.217 4.350 0.000 0.000 0.195 482 E C 1.652 178.263 176.600 0.018 0.000 0.990 482 E CA 1.436 57.845 56.400 0.015 0.000 0.821 482 E CB -0.427 29.269 29.700 -0.007 0.000 0.750 482 E HN 0.491 nan 8.360 nan 0.000 0.477 483 A N 0.463 123.292 122.820 0.014 0.000 2.119 483 A HA -0.087 4.233 4.320 0.000 0.000 0.216 483 A C 1.360 178.956 177.584 0.021 0.000 1.152 483 A CA 0.337 52.383 52.037 0.014 0.000 0.708 483 A CB -0.498 18.513 19.000 0.018 0.000 0.805 483 A HN 0.341 nan 8.150 nan 0.000 0.460 484 Q N 0.837 120.669 119.800 0.054 0.000 2.304 484 Q HA 0.041 4.381 4.340 0.000 0.000 0.301 484 Q C -0.532 175.478 176.000 0.017 0.000 1.063 484 Q CA 0.193 56.033 55.803 0.063 0.000 0.947 484 Q CB 0.427 29.252 28.738 0.145 0.000 1.201 484 Q HN 0.316 nan 8.270 nan 0.000 0.389 485 R N 5.142 125.631 120.500 -0.019 0.000 2.346 485 R HA 0.439 4.779 4.340 0.000 0.000 0.311 485 R C -2.294 173.968 176.300 -0.064 0.000 0.983 485 R CA -2.136 53.934 56.100 -0.050 0.000 0.880 485 R CB 0.694 30.947 30.300 -0.077 0.000 1.100 485 R HN 0.622 nan 8.270 nan 0.000 0.453 486 P HA 0.094 nan 4.420 nan 0.000 0.275 486 P C -0.334 176.887 177.300 -0.132 0.000 1.228 486 P CA -0.364 62.693 63.100 -0.072 0.000 0.786 486 P CB 1.254 32.928 31.700 -0.044 0.000 0.927 487 V N 2.462 122.265 119.914 -0.185 0.000 2.439 487 V HA 0.252 4.372 4.120 0.000 0.000 0.282 487 V C -0.232 175.601 176.094 -0.435 0.000 1.039 487 V CA -0.435 61.668 62.300 -0.329 0.000 0.913 487 V CB 0.716 32.270 31.823 -0.447 0.000 0.983 487 V HN 0.502 nan 8.190 nan 0.000 0.460 488 E N 6.656 126.635 120.200 -0.368 0.000 2.114 488 E HA 0.392 4.742 4.350 0.000 0.000 0.266 488 E C -1.410 175.034 176.600 -0.259 0.000 0.896 488 E CA -0.255 56.001 56.400 -0.239 0.000 0.750 488 E CB 1.431 31.110 29.700 -0.036 0.000 1.121 488 E HN 0.641 nan 8.360 nan 0.000 0.413 489 F N 1.539 121.485 119.950 -0.006 0.000 2.399 489 F HA 0.552 5.079 4.527 0.000 0.000 0.342 489 F C 1.261 176.928 175.800 -0.222 0.000 1.106 489 F CA -0.150 57.790 58.000 -0.101 0.000 1.196 489 F CB 1.176 40.116 39.000 -0.101 0.000 1.163 489 F HN 0.463 nan 8.300 nan 0.000 0.547 490 G N 0.255 108.782 108.800 -0.456 0.000 3.021 490 G HA2 0.675 4.635 3.960 0.000 0.000 0.290 490 G HA3 0.675 4.635 3.960 0.000 0.000 0.290 490 G C -1.494 172.820 174.900 -0.977 0.000 1.291 490 G CA -0.722 43.920 45.100 -0.764 0.000 0.834 490 G HN 0.548 nan 8.290 nan 0.000 0.564 491 T N -0.061 114.021 114.554 -0.786 0.000 3.097 491 T HA 0.547 4.897 4.350 0.000 0.000 0.332 491 T C -1.153 173.531 174.700 -0.027 0.000 1.269 491 T CA -0.284 61.612 62.100 -0.339 0.000 1.076 491 T CB 1.495 70.282 68.868 -0.136 0.000 1.209 491 T HN 1.047 nan 8.240 nan 0.000 0.474 492 L N 0.048 121.327 121.223 0.094 0.000 2.251 492 L HA 0.992 5.332 4.340 0.000 0.000 0.244 492 L C -0.442 176.504 176.870 0.127 0.000 1.095 492 L CA -0.798 54.120 54.840 0.131 0.000 0.910 492 L CB 0.859 42.973 42.059 0.093 0.000 1.516 492 L HN 0.450 nan 8.230 nan 0.000 0.429 493 T N 0.878 115.509 114.554 0.129 0.000 2.794 493 T HA 0.800 5.150 4.350 0.000 0.000 0.280 493 T C 0.276 175.044 174.700 0.112 0.000 0.987 493 T CA 0.014 62.184 62.100 0.117 0.000 0.993 493 T CB 1.432 70.362 68.868 0.104 0.000 0.939 493 T HN 0.971 nan 8.240 nan 0.000 0.449 494 A N 2.055 124.937 122.820 0.103 0.000 2.387 494 A HA 0.556 4.876 4.320 0.000 0.000 0.251 494 A C 1.782 179.402 177.584 0.060 0.000 1.113 494 A CA 0.191 52.273 52.037 0.075 0.000 0.794 494 A CB -0.437 18.587 19.000 0.040 0.000 1.069 494 A HN 1.055 nan 8.150 nan 0.000 0.506 495 A N -0.326 122.518 122.820 0.041 0.000 2.216 495 A HA 0.012 4.332 4.320 0.000 0.000 0.214 495 A C 1.052 178.653 177.584 0.028 0.000 1.160 495 A CA 1.545 53.604 52.037 0.036 0.000 0.725 495 A CB -0.612 18.404 19.000 0.028 0.000 0.784 495 A HN 0.821 nan 8.150 nan 0.000 0.472 496 D N -1.623 118.791 120.400 0.024 0.000 2.336 496 D HA 0.243 4.883 4.640 0.000 0.000 0.228 496 D C 1.077 177.398 176.300 0.035 0.000 1.120 496 D CA 0.331 54.344 54.000 0.022 0.000 0.839 496 D CB -0.990 39.816 40.800 0.010 0.000 0.932 496 D HN 0.462 nan 8.370 nan 0.000 0.509 497 G N 1.686 110.513 108.800 0.044 0.000 2.296 497 G HA2 -0.392 3.568 3.960 0.000 0.000 0.282 497 G HA3 -0.392 3.568 3.960 0.000 0.000 0.282 497 G C 0.763 175.697 174.900 0.056 0.000 1.014 497 G CA 1.296 46.427 45.100 0.051 0.000 0.812 497 G HN 0.656 nan 8.290 nan 0.000 0.508 498 K N -3.520 116.917 120.400 0.061 0.000 2.614 498 K HA 0.091 4.411 4.320 0.000 0.000 0.183 498 K C 0.292 176.945 176.600 0.089 0.000 1.792 498 K CA 0.240 56.568 56.287 0.069 0.000 1.211 498 K CB 0.184 32.720 32.500 0.060 0.000 1.735 498 K HN 0.127 nan 8.250 nan 0.000 0.587 499 T N 6.051 120.663 114.554 0.097 0.000 2.752 499 T HA 0.232 4.582 4.350 0.000 0.000 0.295 499 T C -2.586 172.215 174.700 0.169 0.000 0.923 499 T CA -1.090 61.099 62.100 0.147 0.000 1.112 499 T CB 1.126 70.079 68.868 0.141 0.000 0.884 499 T HN 0.117 nan 8.240 nan 0.000 0.525 500 P HA 0.309 nan 4.420 nan 0.000 0.276 500 P C -0.908 176.509 177.300 0.195 0.000 1.230 500 P CA -0.386 62.800 63.100 0.143 0.000 0.776 500 P CB 0.839 32.596 31.700 0.095 0.000 0.888 501 L N 3.242 124.566 121.223 0.168 0.000 2.346 501 L HA 0.416 4.756 4.340 0.000 0.000 0.276 501 L C 0.735 177.665 176.870 0.100 0.000 1.006 501 L CA -0.778 54.181 54.840 0.198 0.000 0.817 501 L CB 1.730 43.923 42.059 0.223 0.000 1.272 501 L HN 0.308 nan 8.230 nan 0.000 0.421 502 N N 1.468 120.209 118.700 0.069 0.000 2.530 502 N HA 0.482 5.222 4.740 0.000 0.000 0.277 502 N C -1.398 174.146 175.510 0.057 0.000 1.168 502 N CA -0.327 52.713 53.050 -0.017 0.000 0.979 502 N CB 0.972 39.451 38.487 -0.014 0.000 1.141 502 N HN 0.439 nan 8.380 nan 0.000 0.459 503 Y N -1.593 118.702 120.300 -0.008 0.000 2.638 503 Y HA 0.648 5.198 4.550 0.000 0.000 0.335 503 Y C -1.182 174.693 175.900 -0.041 0.000 1.155 503 Y CA -1.454 56.578 58.100 -0.113 0.000 1.046 503 Y CB 0.639 38.990 38.460 -0.182 0.000 1.303 503 Y HN 0.487 nan 8.280 nan 0.000 0.460 504 S N 0.698 116.548 115.700 0.250 0.000 2.595 504 S HA 0.941 5.411 4.470 0.000 0.000 0.281 504 S C -1.820 172.899 174.600 0.197 0.000 1.117 504 S CA -0.706 57.573 58.200 0.132 0.000 0.873 504 S CB 1.841 65.005 63.200 -0.060 0.000 1.108 504 S HN 0.987 nan 8.310 nan 0.000 0.477 505 V N 1.245 121.239 119.914 0.132 0.000 3.012 505 V HA 0.578 4.698 4.120 0.000 0.000 0.307 505 V C -1.245 174.856 176.094 0.010 0.000 1.166 505 V CA -0.690 61.727 62.300 0.195 0.000 0.974 505 V CB 1.924 33.963 31.823 0.360 0.000 1.040 505 V HN 0.969 nan 8.190 nan 0.000 0.428 506 I N 3.565 124.135 120.570 -0.001 0.000 2.468 506 I HA 0.424 4.594 4.170 0.000 0.000 0.285 506 I C -0.421 175.610 176.117 -0.144 0.000 1.039 506 I CA -0.856 60.387 61.300 -0.095 0.000 1.074 506 I CB 1.919 39.867 38.000 -0.086 0.000 1.228 506 I HN 0.408 nan 8.210 nan 0.000 0.436 507 K N 6.953 127.183 120.400 -0.284 0.000 2.270 507 K HA 0.363 4.683 4.320 0.000 0.000 0.276 507 K C -2.347 174.074 176.600 -0.298 0.000 1.023 507 K CA -1.648 54.340 56.287 -0.498 0.000 0.955 507 K CB 0.652 32.641 32.500 -0.851 0.000 0.975 507 K HN 0.280 nan 8.250 nan 0.000 0.471 508 P HA 0.006 nan 4.420 nan 0.000 0.272 508 P C -0.582 176.690 177.300 -0.046 0.000 1.223 508 P CA -0.296 62.732 63.100 -0.120 0.000 0.784 508 P CB 0.520 32.158 31.700 -0.103 0.000 0.923 509 A N 2.275 125.086 122.820 -0.014 0.000 2.567 509 A HA 0.369 4.689 4.320 0.000 0.000 0.240 509 A C 1.304 178.923 177.584 0.057 0.000 1.053 509 A CA 0.746 52.788 52.037 0.008 0.000 0.755 509 A CB -1.584 17.412 19.000 -0.007 0.000 0.978 509 A HN 0.939 nan 8.150 nan 0.000 0.507 510 G N 1.472 110.308 108.800 0.060 0.000 2.422 510 G HA2 -0.166 3.794 3.960 0.000 0.000 0.290 510 G HA3 -0.166 3.794 3.960 0.000 0.000 0.290 510 G C -0.260 174.728 174.900 0.147 0.000 1.059 510 G CA 0.260 45.407 45.100 0.078 0.000 1.242 510 G HN 1.552 nan 8.290 nan 0.000 0.520 511 F N 1.545 121.463 119.950 -0.052 0.000 2.396 511 F HA 0.614 5.141 4.527 0.000 0.000 0.343 511 F C 0.042 175.824 175.800 -0.030 0.000 1.104 511 F CA -0.736 57.200 58.000 -0.106 0.000 1.161 511 F CB 1.364 40.185 39.000 -0.299 0.000 1.146 511 F HN 0.189 nan 8.300 nan 0.000 0.522 512 D N 8.032 127.990 120.400 -0.735 0.000 2.575 512 D HA 0.259 4.899 4.640 0.000 0.000 0.250 512 D C -2.246 173.632 176.300 -0.703 0.000 1.279 512 D CA -1.896 51.734 54.000 -0.617 0.000 0.925 512 D CB 2.366 43.039 40.800 -0.210 0.000 1.261 512 D HN 0.215 nan 8.370 nan 0.000 0.567 513 P HA -0.162 nan 4.420 nan 0.000 0.218 513 P C 1.035 178.309 177.300 -0.043 0.000 1.146 513 P CA 1.315 64.194 63.100 -0.368 0.000 0.820 513 P CB 0.368 31.936 31.700 -0.221 0.000 0.778 514 A N -0.940 121.825 122.820 -0.092 0.000 1.930 514 A HA -0.113 4.207 4.320 0.000 0.000 0.217 514 A C 1.127 178.700 177.584 -0.019 0.000 1.175 514 A CA 1.084 53.100 52.037 -0.036 0.000 0.627 514 A CB -0.637 18.327 19.000 -0.060 0.000 0.815 514 A HN 0.193 nan 8.150 nan 0.000 0.443 515 K N 0.241 120.615 120.400 -0.044 0.000 2.154 515 K HA 0.428 4.748 4.320 0.000 0.000 0.264 515 K C -0.403 176.193 176.600 -0.007 0.000 1.008 515 K CA -0.314 55.906 56.287 -0.111 0.000 0.937 515 K CB 0.891 33.224 32.500 -0.277 0.000 1.002 515 K HN 0.228 nan 8.250 nan 0.000 0.469 516 R N 1.901 122.333 120.500 -0.114 0.000 2.407 516 R HA 0.326 4.666 4.340 0.000 0.000 0.303 516 R C -0.876 175.371 176.300 -0.089 0.000 0.981 516 R CA -0.590 55.535 56.100 0.041 0.000 0.905 516 R CB 0.783 31.084 30.300 0.002 0.000 1.099 516 R HN 0.494 nan 8.270 nan 0.000 0.459 517 Y N 1.788 122.176 120.300 0.148 0.000 2.659 517 Y HA 0.485 5.035 4.550 0.000 0.000 0.333 517 Y C -2.012 173.940 175.900 0.087 0.000 1.064 517 Y CA -2.728 55.445 58.100 0.122 0.000 1.141 517 Y CB 1.230 39.816 38.460 0.210 0.000 1.316 517 Y HN 0.440 nan 8.280 nan 0.000 0.509 518 P HA 0.370 nan 4.420 nan 0.000 0.290 518 P C -1.348 176.119 177.300 0.278 0.000 1.283 518 P CA -0.461 62.758 63.100 0.197 0.000 0.869 518 P CB 2.310 34.096 31.700 0.143 0.000 1.100 519 V N 1.474 121.529 119.914 0.235 0.000 2.459 519 V HA 0.595 4.715 4.120 0.000 0.000 0.295 519 V C 0.501 176.762 176.094 0.278 0.000 1.029 519 V CA -0.799 61.649 62.300 0.246 0.000 0.874 519 V CB 1.284 33.195 31.823 0.147 0.000 0.985 519 V HN 0.716 nan 8.190 nan 0.000 0.438 520 A N 4.733 127.714 122.820 0.267 0.000 2.511 520 A HA 0.675 4.995 4.320 0.000 0.000 0.340 520 A C -0.345 177.395 177.584 0.259 0.000 1.396 520 A CA -0.430 51.723 52.037 0.193 0.000 0.887 520 A CB 0.279 19.266 19.000 -0.022 0.000 1.145 520 A HN 0.673 nan 8.150 nan 0.000 0.497 521 V N 2.611 122.720 119.914 0.325 0.000 2.572 521 V HA 0.073 4.193 4.120 0.000 0.000 0.291 521 V C -0.196 176.099 176.094 0.334 0.000 1.039 521 V CA 0.055 62.581 62.300 0.377 0.000 1.055 521 V CB 0.339 32.434 31.823 0.452 0.000 0.969 521 V HN 0.692 nan 8.190 nan 0.000 0.482 522 Y N 5.204 125.599 120.300 0.158 0.000 2.331 522 Y HA 0.683 5.233 4.550 0.000 0.000 0.338 522 Y C -0.383 175.594 175.900 0.128 0.000 0.992 522 Y CA -0.756 57.428 58.100 0.141 0.000 1.121 522 Y CB 1.648 40.186 38.460 0.130 0.000 1.184 522 Y HN 0.461 nan 8.280 nan 0.000 0.469 523 V N 7.918 127.593 119.914 -0.398 0.000 2.925 523 V HA 0.381 4.501 4.120 0.000 0.000 0.311 523 V C -1.526 174.379 176.094 -0.315 0.000 1.104 523 V CA -0.313 61.816 62.300 -0.285 0.000 0.954 523 V CB 1.958 33.727 31.823 -0.089 0.000 1.022 523 V HN 0.861 nan 8.190 nan 0.000 0.427 524 Y N 3.876 124.026 120.300 -0.251 0.000 3.105 524 Y HA 0.504 5.054 4.550 0.000 0.000 0.216 524 Y C 1.636 177.523 175.900 -0.022 0.000 0.943 524 Y CA 1.233 59.262 58.100 -0.117 0.000 1.535 524 Y CB 0.274 38.701 38.460 -0.055 0.000 1.475 524 Y HN 1.105 nan 8.280 nan 0.000 0.435 525 G N 1.114 109.950 108.800 0.061 0.000 2.225 525 G HA2 -0.131 3.829 3.960 0.000 0.000 0.267 525 G HA3 -0.131 3.829 3.960 0.000 0.000 0.267 525 G C 0.376 175.226 174.900 -0.083 0.000 1.024 525 G CA 0.560 45.663 45.100 0.006 0.000 0.784 525 G HN 0.924 nan 8.290 nan 0.000 0.507 526 G N -1.487 107.225 108.800 -0.148 0.000 2.600 526 G HA2 0.727 4.687 3.960 0.000 0.000 0.303 526 G HA3 0.727 4.687 3.960 0.000 0.000 0.303 526 G C -1.061 173.833 174.900 -0.008 0.000 1.253 526 G CA -0.711 44.267 45.100 -0.202 0.000 0.974 526 G HN -0.022 nan 8.290 nan 0.000 0.483 527 P HA -0.110 nan 4.420 nan 0.000 0.217 527 P C 2.043 179.390 177.300 0.078 0.000 1.148 527 P CA 1.893 64.876 63.100 -0.195 0.000 0.828 527 P CB 0.247 31.384 31.700 -0.939 0.000 0.783 528 A N -0.818 122.134 122.820 0.220 0.000 1.940 528 A HA -0.037 4.283 4.320 0.000 0.000 0.219 528 A C 1.219 178.928 177.584 0.208 0.000 1.176 528 A CA 1.997 54.216 52.037 0.303 0.000 0.631 528 A CB -0.752 18.505 19.000 0.429 0.000 0.814 528 A HN 0.417 nan 8.150 nan 0.000 0.446 529 S N -3.157 112.674 115.700 0.220 0.000 2.656 529 S HA 0.496 4.966 4.470 0.000 0.000 0.265 529 S C -1.377 173.298 174.600 0.124 0.000 1.132 529 S CA -0.926 57.323 58.200 0.081 0.000 0.819 529 S CB 0.529 63.686 63.200 -0.072 0.000 1.119 529 S HN 0.339 nan 8.310 nan 0.000 0.476 530 Q N 0.401 120.255 119.800 0.090 0.000 2.266 530 Q HA 0.584 4.924 4.340 0.000 0.000 0.261 530 Q C 0.520 176.594 176.000 0.124 0.000 0.985 530 Q CA -0.292 55.582 55.803 0.117 0.000 0.873 530 Q CB 1.791 30.582 28.738 0.089 0.000 1.306 530 Q HN 0.902 nan 8.270 nan 0.000 0.447 531 T N -3.322 111.329 114.554 0.162 0.000 3.022 531 T HA 0.175 4.525 4.350 0.000 0.000 0.250 531 T C 0.412 175.217 174.700 0.176 0.000 1.060 531 T CA -0.084 62.151 62.100 0.224 0.000 1.013 531 T CB 0.352 69.375 68.868 0.258 0.000 0.982 531 T HN 0.267 nan 8.240 nan 0.000 0.508 532 V N 3.463 123.461 119.914 0.139 0.000 2.250 532 V HA 0.563 4.683 4.120 0.000 0.000 0.268 532 V C 0.094 176.257 176.094 0.115 0.000 1.043 532 V CA -0.462 61.936 62.300 0.163 0.000 0.814 532 V CB 0.084 31.998 31.823 0.153 0.000 1.072 532 V HN 0.723 nan 8.190 nan 0.000 0.451 533 T N -1.118 113.505 114.554 0.114 0.000 2.865 533 T HA 0.482 4.832 4.350 0.000 0.000 0.294 533 T C -0.826 173.876 174.700 0.005 0.000 1.119 533 T CA -0.694 61.401 62.100 -0.008 0.000 1.007 533 T CB 2.328 71.196 68.868 -0.001 0.000 1.225 533 T HN 0.255 nan 8.240 nan 0.000 0.515 534 D N 1.698 122.010 120.400 -0.147 0.000 2.522 534 D HA 0.413 5.053 4.640 0.000 0.000 0.218 534 D C -0.279 176.058 176.300 0.062 0.000 1.149 534 D CA -0.118 53.846 54.000 -0.060 0.000 0.981 534 D CB -0.475 40.190 40.800 -0.225 0.000 1.041 534 D HN 0.736 nan 8.370 nan 0.000 0.518 535 S N 1.890 117.647 115.700 0.095 0.000 2.618 535 S HA 0.390 4.860 4.470 0.000 0.000 0.277 535 S C -0.487 174.168 174.600 0.092 0.000 1.138 535 S CA -1.180 57.072 58.200 0.088 0.000 0.844 535 S CB 1.132 64.353 63.200 0.036 0.000 1.127 535 S HN 0.396 nan 8.310 nan 0.000 0.474 536 W N 3.574 124.830 121.300 -0.074 0.000 2.216 536 W HA 0.298 4.959 4.660 0.000 0.000 0.326 536 W C -2.481 173.963 176.519 -0.125 0.000 1.319 536 W CA -1.568 55.713 57.345 -0.106 0.000 1.213 536 W CB 0.720 30.098 29.460 -0.137 0.000 1.171 536 W HN 0.509 nan 8.180 nan 0.000 0.557 537 P HA 0.132 nan 4.420 nan 0.000 0.277 537 P C 0.241 177.329 177.300 -0.354 0.000 1.354 537 P CA 0.152 62.944 63.100 -0.513 0.000 0.891 537 P CB 0.730 32.117 31.700 -0.522 0.000 1.058 538 G N 3.381 112.183 108.800 0.003 0.000 2.743 538 G HA2 0.021 3.981 3.960 0.000 0.000 0.206 538 G HA3 0.021 3.981 3.960 0.000 0.000 0.206 538 G C 0.760 175.710 174.900 0.084 0.000 1.115 538 G CA -0.035 45.132 45.100 0.111 0.000 0.782 538 G HN 0.289 nan 8.290 nan 0.000 0.524 539 R N 0.719 121.312 120.500 0.155 0.000 2.594 539 R HA 0.441 4.781 4.340 0.000 0.000 0.272 539 R C 1.774 178.011 176.300 -0.106 0.000 1.074 539 R CA 0.398 56.497 56.100 -0.001 0.000 1.105 539 R CB 0.931 31.157 30.300 -0.122 0.000 1.008 539 R HN 0.043 nan 8.270 nan 0.000 0.472 540 G N 1.568 110.293 108.800 -0.125 0.000 2.469 540 G HA2 -0.298 3.662 3.960 0.000 0.000 0.219 540 G HA3 -0.298 3.662 3.960 0.000 0.000 0.219 540 G C 0.704 175.494 174.900 -0.183 0.000 1.150 540 G CA 0.893 45.920 45.100 -0.122 0.000 0.763 540 G HN 0.639 nan 8.290 nan 0.000 0.561 541 D N -0.464 119.809 120.400 -0.213 0.000 2.263 541 D HA 0.000 4.640 4.640 0.000 0.000 0.208 541 D C 2.079 178.146 176.300 -0.389 0.000 0.971 541 D CA 0.697 54.557 54.000 -0.232 0.000 0.867 541 D CB -0.143 40.519 40.800 -0.230 0.000 0.929 541 D HN 0.596 nan 8.370 nan 0.000 0.492 542 H N -0.724 118.202 119.070 -0.241 0.000 2.343 542 H HA 0.120 4.676 4.556 0.000 0.000 0.303 542 H C 2.083 177.263 175.328 -0.247 0.000 1.068 542 H CA 0.413 56.290 56.048 -0.286 0.000 1.359 542 H CB 0.120 29.749 29.762 -0.221 0.000 1.402 542 H HN 0.028 nan 8.280 nan 0.000 0.515 543 L N -0.129 121.033 121.223 -0.101 0.000 2.042 543 L HA -0.211 4.129 4.340 0.000 0.000 0.210 543 L C 2.174 178.979 176.870 -0.109 0.000 1.076 543 L CA 0.961 55.724 54.840 -0.128 0.000 0.749 543 L CB -0.337 41.642 42.059 -0.133 0.000 0.893 543 L HN 0.273 nan 8.230 nan 0.000 0.432 544 F N 1.225 120.956 119.950 -0.366 0.000 2.202 544 F HA -0.225 4.302 4.527 0.000 0.000 0.301 544 F C 2.363 178.073 175.800 -0.151 0.000 1.082 544 F CA 1.395 59.169 58.000 -0.376 0.000 1.313 544 F CB -0.373 38.297 39.000 -0.549 0.000 1.024 544 F HN 0.143 nan 8.300 nan 0.000 0.495 545 N N 0.266 118.854 118.700 -0.186 0.000 2.188 545 N HA -0.192 4.548 4.740 0.000 0.000 0.184 545 N C 1.851 177.256 175.510 -0.175 0.000 1.018 545 N CA 1.234 54.153 53.050 -0.218 0.000 0.858 545 N CB -0.525 37.845 38.487 -0.195 0.000 0.989 545 N HN 0.375 nan 8.380 nan 0.000 0.426 546 Q N 0.327 120.044 119.800 -0.138 0.000 2.016 546 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 546 Q C 1.984 177.933 176.000 -0.086 0.000 0.978 546 Q CA 1.363 57.102 55.803 -0.106 0.000 0.833 546 Q CB -0.768 27.914 28.738 -0.093 0.000 0.895 546 Q HN 0.468 nan 8.270 nan 0.000 0.427 547 Y N 0.276 120.448 120.300 -0.213 0.000 2.114 547 Y HA -0.230 4.320 4.550 0.000 0.000 0.282 547 Y C 1.713 177.483 175.900 -0.216 0.000 1.165 547 Y CA 1.966 59.944 58.100 -0.203 0.000 1.148 547 Y CB -0.281 38.048 38.460 -0.220 0.000 0.972 547 Y HN 0.185 nan 8.280 nan 0.000 0.504 548 L N -0.370 120.717 121.223 -0.227 0.000 2.131 548 L HA -0.228 4.112 4.340 0.000 0.000 0.210 548 L C 2.736 179.598 176.870 -0.012 0.000 1.092 548 L CA 1.061 55.769 54.840 -0.221 0.000 0.759 548 L CB -0.847 40.930 42.059 -0.470 0.000 0.903 548 L HN 0.401 nan 8.230 nan 0.000 0.435 549 A N -0.616 122.161 122.820 -0.070 0.000 1.897 549 A HA -0.204 4.116 4.320 0.000 0.000 0.215 549 A C 2.168 179.720 177.584 -0.054 0.000 1.181 549 A CA 1.096 53.116 52.037 -0.028 0.000 0.620 549 A CB -0.371 18.590 19.000 -0.066 0.000 0.821 549 A HN 0.423 nan 8.150 nan 0.000 0.443 550 Q N -0.748 118.979 119.800 -0.122 0.000 2.364 550 Q HA -0.123 4.217 4.340 0.000 0.000 0.209 550 Q C 1.179 177.086 176.000 -0.155 0.000 0.977 550 Q CA 0.966 56.687 55.803 -0.137 0.000 0.885 550 Q CB 0.017 28.649 28.738 -0.176 0.000 0.941 550 Q HN 0.545 nan 8.270 nan 0.000 0.464 551 Q N -1.237 118.458 119.800 -0.174 0.000 2.280 551 Q HA 0.143 4.483 4.340 0.000 0.000 0.201 551 Q C 0.796 176.764 176.000 -0.054 0.000 0.890 551 Q CA 0.685 56.410 55.803 -0.129 0.000 0.947 551 Q CB 1.332 29.980 28.738 -0.149 0.000 1.081 551 Q HN 0.478 nan 8.270 nan 0.000 0.502 552 G N -0.007 108.791 108.800 -0.003 0.000 2.148 552 G HA2 -0.235 3.725 3.960 0.000 0.000 0.203 552 G HA3 -0.235 3.725 3.960 0.000 0.000 0.203 552 G C -0.436 174.474 174.900 0.016 0.000 0.993 552 G CA -0.435 44.673 45.100 0.013 0.000 0.661 552 G HN 0.248 nan 8.290 nan 0.000 0.518 553 Y N -0.803 119.532 120.300 0.058 0.000 2.496 553 Y HA 0.625 5.175 4.550 0.000 0.000 0.331 553 Y C 0.611 176.538 175.900 0.045 0.000 1.140 553 Y CA -1.121 57.030 58.100 0.085 0.000 1.166 553 Y CB 2.025 40.517 38.460 0.054 0.000 1.249 553 Y HN 0.016 nan 8.280 nan 0.000 0.479 554 V N 3.621 123.700 119.914 0.275 0.000 2.348 554 V HA 0.211 4.331 4.120 0.000 0.000 0.270 554 V C -0.487 175.738 176.094 0.219 0.000 1.037 554 V CA -0.801 61.607 62.300 0.181 0.000 0.872 554 V CB 0.647 32.612 31.823 0.236 0.000 1.002 554 V HN 0.497 nan 8.190 nan 0.000 0.464 555 V N 6.696 126.705 119.914 0.157 0.000 2.432 555 V HA 0.368 4.488 4.120 0.000 0.000 0.271 555 V C -0.328 175.923 176.094 0.262 0.000 1.046 555 V CA -0.233 62.166 62.300 0.166 0.000 0.945 555 V CB 0.812 32.669 31.823 0.055 0.000 0.992 555 V HN 0.677 nan 8.190 nan 0.000 0.471 556 F N 4.365 124.403 119.950 0.147 0.000 2.540 556 F HA 0.759 5.286 4.527 0.000 0.000 0.317 556 F C -0.124 175.790 175.800 0.191 0.000 1.104 556 F CA -0.170 57.924 58.000 0.157 0.000 0.913 556 F CB 2.122 41.217 39.000 0.158 0.000 1.170 556 F HN 0.435 nan 8.300 nan 0.000 0.450 557 S N 5.788 121.120 115.700 -0.614 0.000 2.540 557 S HA 0.812 5.282 4.470 0.000 0.000 0.275 557 S C -2.146 172.093 174.600 -0.602 0.000 1.123 557 S CA -0.577 57.376 58.200 -0.411 0.000 0.907 557 S CB 1.452 64.669 63.200 0.029 0.000 1.081 557 S HN 0.856 nan 8.310 nan 0.000 0.476 558 L N 3.187 124.204 121.223 -0.344 0.000 2.436 558 L HA 0.640 4.980 4.340 0.000 0.000 0.268 558 L C -1.479 175.413 176.870 0.036 0.000 0.974 558 L CA -0.211 54.546 54.840 -0.138 0.000 0.826 558 L CB 2.080 44.091 42.059 -0.080 0.000 1.291 558 L HN 0.543 nan 8.230 nan 0.000 0.406 559 D N 3.474 123.936 120.400 0.104 0.000 2.494 559 D HA 0.192 4.832 4.640 0.000 0.000 0.217 559 D C -0.241 176.208 176.300 0.249 0.000 1.153 559 D CA -0.013 54.088 54.000 0.167 0.000 0.954 559 D CB 0.275 41.171 40.800 0.160 0.000 1.034 559 D HN 0.739 nan 8.370 nan 0.000 0.518 560 N N 0.553 119.365 118.700 0.186 0.000 2.288 560 N HA 0.055 4.795 4.740 0.000 0.000 0.237 560 N C 0.244 175.800 175.510 0.077 0.000 1.311 560 N CA -0.365 52.765 53.050 0.134 0.000 0.909 560 N CB 0.828 39.352 38.487 0.062 0.000 1.167 560 N HN 0.075 nan 8.380 nan 0.000 0.476 561 R N -0.951 119.397 120.500 -0.253 0.000 2.623 561 R HA 0.283 4.623 4.340 0.000 0.000 0.271 561 R C 0.997 177.138 176.300 -0.265 0.000 1.043 561 R CA 1.081 56.725 56.100 -0.761 0.000 1.083 561 R CB 0.139 30.048 30.300 -0.652 0.000 0.974 561 R HN 0.977 nan 8.270 nan 0.000 0.436 562 G N 0.997 109.711 108.800 -0.142 0.000 2.278 562 G HA2 -0.279 3.681 3.960 0.000 0.000 0.210 562 G HA3 -0.279 3.681 3.960 0.000 0.000 0.210 562 G C 0.268 175.248 174.900 0.134 0.000 1.000 562 G CA 0.004 45.116 45.100 0.020 0.000 0.635 562 G HN 0.723 nan 8.290 nan 0.000 0.495 563 T N 1.045 115.767 114.554 0.279 0.000 2.828 563 T HA 0.628 4.978 4.350 0.000 0.000 0.290 563 T C -1.635 173.256 174.700 0.319 0.000 1.019 563 T CA -0.678 61.598 62.100 0.292 0.000 1.031 563 T CB 2.267 71.323 68.868 0.312 0.000 1.001 563 T HN 0.319 nan 8.240 nan 0.000 0.531 564 P HA 0.272 nan 4.420 nan 0.000 0.277 564 P C -0.174 177.187 177.300 0.102 0.000 1.271 564 P CA -0.500 62.712 63.100 0.186 0.000 0.795 564 P CB 0.357 32.160 31.700 0.170 0.000 1.101 565 R N -1.673 118.885 120.500 0.096 0.000 3.953 565 R HA -0.141 4.199 4.340 0.000 0.000 0.340 565 R C 0.672 176.974 176.300 0.004 0.000 1.195 565 R CA 0.467 56.601 56.100 0.056 0.000 0.929 565 R CB -1.501 28.831 30.300 0.054 0.000 1.402 565 R HN 0.486 nan 8.270 nan 0.000 0.540 566 R N 0.317 120.785 120.500 -0.052 0.000 2.543 566 R HA 0.241 4.581 4.340 0.000 0.000 0.323 566 R C 0.772 177.089 176.300 0.028 0.000 1.002 566 R CA 0.768 56.785 56.100 -0.138 0.000 1.106 566 R CB 1.466 31.252 30.300 -0.858 0.000 1.280 566 R HN 0.433 nan 8.270 nan 0.000 0.549 567 G N 0.985 109.748 108.800 -0.062 0.000 2.619 567 G HA2 -0.220 3.740 3.960 0.000 0.000 0.686 567 G HA3 -0.220 3.740 3.960 0.000 0.000 0.686 567 G C 0.346 175.027 174.900 -0.366 0.000 1.256 567 G CA -0.160 44.648 45.100 -0.487 0.000 0.826 567 G HN 0.143 nan 8.290 nan 0.000 0.619 568 R N 0.000 120.182 120.500 -0.531 0.000 2.103 568 R HA -0.145 4.195 4.340 0.000 0.000 0.242 568 R C 1.751 177.866 176.300 -0.309 0.000 1.142 568 R CA 2.482 58.318 56.100 -0.440 0.000 0.960 568 R CB -0.355 29.661 30.300 -0.474 0.000 0.858 568 R HN 0.618 nan 8.270 nan 0.000 0.439 569 D N -0.463 119.777 120.400 -0.268 0.000 2.183 569 D HA -0.125 4.515 4.640 0.000 0.000 0.203 569 D C 1.559 177.848 176.300 -0.019 0.000 0.969 569 D CA 0.762 54.684 54.000 -0.130 0.000 0.842 569 D CB -0.333 40.409 40.800 -0.095 0.000 0.957 569 D HN 0.214 nan 8.370 nan 0.000 0.484 570 F N 1.543 121.431 119.950 -0.103 0.000 2.128 570 F HA 0.028 4.555 4.527 0.000 0.000 0.295 570 F C 2.252 178.065 175.800 0.022 0.000 1.100 570 F CA 1.752 59.743 58.000 -0.014 0.000 1.260 570 F CB -0.265 38.744 39.000 0.015 0.000 1.009 570 F HN -0.041 nan 8.300 nan 0.000 0.476 571 G N -0.868 108.105 108.800 0.288 0.000 2.430 571 G HA2 -0.060 3.900 3.960 0.000 0.000 0.216 571 G HA3 -0.060 3.900 3.960 0.000 0.000 0.216 571 G C 1.828 176.898 174.900 0.283 0.000 1.146 571 G CA 0.470 45.751 45.100 0.302 0.000 0.793 571 G HN 0.574 nan 8.290 nan 0.000 0.537 572 G N 0.922 109.785 108.800 0.105 0.000 2.534 572 G HA2 0.153 4.113 3.960 0.000 0.000 0.217 572 G HA3 0.153 4.113 3.960 0.000 0.000 0.217 572 G C 1.909 176.900 174.900 0.151 0.000 1.128 572 G CA 1.181 46.356 45.100 0.125 0.000 0.784 572 G HN 0.547 nan 8.290 nan 0.000 0.542 573 A N 1.057 123.903 122.820 0.044 0.000 2.009 573 A HA -0.108 4.212 4.320 0.000 0.000 0.222 573 A C 2.218 179.827 177.584 0.041 0.000 1.175 573 A CA 2.021 54.056 52.037 -0.003 0.000 0.651 573 A CB -0.296 18.631 19.000 -0.121 0.000 0.815 573 A HN 0.804 nan 8.150 nan 0.000 0.459 574 L N -4.649 116.621 121.223 0.078 0.000 2.585 574 L HA 0.336 4.676 4.340 0.000 0.000 0.226 574 L C 0.874 177.796 176.870 0.087 0.000 1.113 574 L CA -0.528 54.338 54.840 0.044 0.000 0.876 574 L CB -1.544 40.498 42.059 -0.028 0.000 1.072 574 L HN 0.247 nan 8.230 nan 0.000 0.468 575 Y N 3.149 123.513 120.300 0.107 0.000 2.916 575 Y HA 0.266 4.816 4.550 -0.000 0.000 0.344 575 Y C 1.634 177.562 175.900 0.046 0.000 1.282 575 Y CA 1.182 59.361 58.100 0.131 0.000 1.604 575 Y CB 0.070 38.656 38.460 0.210 0.000 1.207 575 Y HN 0.511 nan 8.280 nan 0.000 0.561 576 G N 4.494 112.908 108.800 -0.643 0.000 2.189 576 G HA2 -0.328 3.632 3.960 0.000 0.000 0.267 576 G HA3 -0.328 3.632 3.960 0.000 0.000 0.267 576 G C 0.113 174.892 174.900 -0.202 0.000 0.975 576 G CA 0.585 45.411 45.100 -0.458 0.000 0.644 576 G HN 0.871 nan 8.290 nan 0.000 0.537 577 K N -0.279 120.033 120.400 -0.147 0.000 3.306 577 K HA 0.404 4.724 4.320 0.000 0.000 0.169 577 K C -0.124 176.439 176.600 -0.061 0.000 1.110 577 K CA -0.625 55.618 56.287 -0.072 0.000 0.783 577 K CB 0.462 32.954 32.500 -0.013 0.000 0.958 577 K HN 0.334 nan 8.250 nan 0.000 0.581 578 Q N 0.139 119.876 119.800 -0.105 0.000 2.417 578 Q HA 0.269 4.609 4.340 0.000 0.000 0.241 578 Q C 0.758 176.808 176.000 0.083 0.000 1.008 578 Q CA 1.008 56.772 55.803 -0.064 0.000 0.901 578 Q CB 0.852 29.461 28.738 -0.215 0.000 1.259 578 Q HN 0.744 nan 8.270 nan 0.000 0.489 579 G N 0.440 109.321 108.800 0.135 0.000 2.147 579 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 579 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 579 G C 0.474 175.366 174.900 -0.013 0.000 1.005 579 G CA 0.685 45.845 45.100 0.100 0.000 0.713 579 G HN 0.736 nan 8.290 nan 0.000 0.515 580 T N -4.885 109.665 114.554 -0.006 0.000 3.426 580 T HA 0.297 4.647 4.350 0.000 0.000 0.195 580 T C 1.901 176.592 174.700 -0.016 0.000 0.963 580 T CA 1.334 63.422 62.100 -0.020 0.000 1.154 580 T CB -0.026 68.839 68.868 -0.005 0.000 1.377 580 T HN 0.536 nan 8.240 nan 0.000 0.342 581 V N 3.969 123.873 119.914 -0.016 0.000 2.278 581 V HA -0.208 3.912 4.120 0.000 0.000 0.251 581 V C 3.052 179.132 176.094 -0.024 0.000 1.062 581 V CA 2.592 64.877 62.300 -0.025 0.000 1.038 581 V CB -0.925 30.871 31.823 -0.044 0.000 0.646 581 V HN 0.773 nan 8.190 nan 0.000 0.447 582 E N 0.129 120.315 120.200 -0.024 0.000 2.265 582 E HA -0.153 4.197 4.350 0.000 0.000 0.196 582 E C 2.144 178.750 176.600 0.009 0.000 0.996 582 E CA 1.433 57.827 56.400 -0.010 0.000 0.832 582 E CB -0.753 28.941 29.700 -0.011 0.000 0.756 582 E HN 0.478 nan 8.360 nan 0.000 0.491 583 V N 2.103 122.016 119.914 -0.002 0.000 2.255 583 V HA -0.152 3.968 4.120 0.000 0.000 0.243 583 V C 2.714 178.832 176.094 0.041 0.000 1.038 583 V CA 1.815 64.118 62.300 0.005 0.000 1.008 583 V CB -0.959 30.845 31.823 -0.032 0.000 0.645 583 V HN 0.408 nan 8.190 nan 0.000 0.449 584 A N 0.070 122.905 122.820 0.025 0.000 1.917 584 A HA -0.317 4.003 4.320 0.000 0.000 0.219 584 A C 1.917 179.534 177.584 0.056 0.000 1.182 584 A CA 2.473 54.532 52.037 0.037 0.000 0.633 584 A CB -0.781 18.230 19.000 0.020 0.000 0.819 584 A HN 0.570 nan 8.150 nan 0.000 0.448 585 D N -0.747 119.682 120.400 0.048 0.000 2.097 585 D HA -0.121 4.519 4.640 0.000 0.000 0.195 585 D C 2.232 178.602 176.300 0.117 0.000 0.989 585 D CA 1.219 55.260 54.000 0.068 0.000 0.827 585 D CB -0.227 40.597 40.800 0.040 0.000 0.966 585 D HN 0.352 nan 8.370 nan 0.000 0.456 586 Q N -0.099 119.777 119.800 0.126 0.000 2.170 586 Q HA -0.070 4.270 4.340 0.000 0.000 0.203 586 Q C 2.451 178.589 176.000 0.230 0.000 0.976 586 Q CA 0.564 56.484 55.803 0.195 0.000 0.858 586 Q CB -0.234 28.613 28.738 0.182 0.000 0.907 586 Q HN 0.408 nan 8.270 nan 0.000 0.433 587 L N 0.202 121.528 121.223 0.173 0.000 2.141 587 L HA -0.134 4.206 4.340 0.000 0.000 0.209 587 L C 2.321 179.252 176.870 0.101 0.000 1.094 587 L CA 0.681 55.599 54.840 0.130 0.000 0.763 587 L CB -0.227 41.889 42.059 0.095 0.000 0.908 587 L HN 0.069 nan 8.230 nan 0.000 0.437 588 R N 0.140 120.711 120.500 0.118 0.000 2.237 588 R HA -0.051 4.289 4.340 0.000 0.000 0.219 588 R C 2.090 178.489 176.300 0.165 0.000 1.080 588 R CA 1.060 57.233 56.100 0.122 0.000 0.995 588 R CB -0.883 29.488 30.300 0.118 0.000 0.875 588 R HN 0.389 nan 8.270 nan 0.000 0.462 589 G N -0.390 108.535 108.800 0.208 0.000 2.426 589 G HA2 -0.103 3.857 3.960 0.000 0.000 0.214 589 G HA3 -0.103 3.857 3.960 0.000 0.000 0.214 589 G C 1.510 176.461 174.900 0.085 0.000 1.156 589 G CA 0.187 45.454 45.100 0.279 0.000 0.802 589 G HN 0.123 nan 8.290 nan 0.000 0.534 590 V N 1.781 121.726 119.914 0.051 0.000 2.261 590 V HA -0.140 3.980 4.120 0.000 0.000 0.246 590 V C 3.353 179.384 176.094 -0.105 0.000 1.047 590 V CA 2.036 64.277 62.300 -0.099 0.000 1.015 590 V CB -0.949 30.771 31.823 -0.172 0.000 0.642 590 V HN 0.438 nan 8.190 nan 0.000 0.446 591 A N -0.883 121.918 122.820 -0.032 0.000 1.927 591 A HA -0.334 3.986 4.320 0.000 0.000 0.220 591 A C 1.974 179.534 177.584 -0.040 0.000 1.185 591 A CA 2.455 54.473 52.037 -0.031 0.000 0.639 591 A CB -1.058 17.957 19.000 0.025 0.000 0.820 591 A HN 0.771 nan 8.150 nan 0.000 0.451 592 W N 0.324 121.522 121.300 -0.170 0.000 2.381 592 W HA -0.094 4.566 4.660 -0.000 0.000 0.301 592 W C 1.802 178.117 176.519 -0.340 0.000 1.205 592 W CA 1.710 58.929 57.345 -0.210 0.000 1.285 592 W CB -0.301 29.037 29.460 -0.203 0.000 1.133 592 W HN 0.253 nan 8.180 nan 0.000 0.521 593 L N 0.688 121.695 121.223 -0.361 0.000 2.083 593 L HA -0.232 4.108 4.340 0.000 0.000 0.209 593 L C 2.471 178.973 176.870 -0.613 0.000 1.083 593 L CA 1.601 56.058 54.840 -0.637 0.000 0.752 593 L CB -0.728 41.036 42.059 -0.491 0.000 0.899 593 L HN -0.054 nan 8.230 nan 0.000 0.433 594 K N -0.301 119.851 120.400 -0.414 0.000 2.097 594 K HA -0.210 4.110 4.320 0.000 0.000 0.206 594 K C 2.047 178.418 176.600 -0.382 0.000 1.049 594 K CA 1.231 57.316 56.287 -0.337 0.000 0.933 594 K CB -0.111 32.256 32.500 -0.222 0.000 0.717 594 K HN 0.378 nan 8.250 nan 0.000 0.442 595 Q N 0.538 120.078 119.800 -0.434 0.000 2.364 595 Q HA -0.089 4.251 4.340 0.000 0.000 0.209 595 Q C -0.021 175.677 176.000 -0.503 0.000 0.977 595 Q CA 0.679 56.239 55.803 -0.405 0.000 0.885 595 Q CB 0.198 28.711 28.738 -0.375 0.000 0.941 595 Q HN 0.228 nan 8.270 nan 0.000 0.464 596 Q N 0.879 120.219 119.800 -0.766 0.000 2.286 596 Q HA 0.061 4.401 4.340 0.000 0.000 0.257 596 Q C -1.699 173.890 176.000 -0.686 0.000 0.941 596 Q CA -1.639 53.603 55.803 -0.934 0.000 0.912 596 Q CB 0.509 28.181 28.738 -1.777 0.000 1.192 596 Q HN 0.088 nan 8.270 nan 0.000 0.410 597 P HA -0.086 nan 4.420 nan 0.000 0.226 597 P C 0.325 177.599 177.300 -0.044 0.000 1.153 597 P CA 1.033 64.047 63.100 -0.144 0.000 0.777 597 P CB 0.082 31.790 31.700 0.014 0.000 0.794 598 W N -0.253 121.066 121.300 0.032 0.000 3.391 598 W HA 0.506 5.166 4.660 0.000 0.000 0.372 598 W C -0.900 175.721 176.519 0.171 0.000 1.171 598 W CA -0.545 56.888 57.345 0.147 0.000 1.862 598 W CB -0.526 29.114 29.460 0.300 0.000 1.048 598 W HN -0.330 nan 8.180 nan 0.000 0.726 599 V N 2.153 121.970 119.914 -0.162 0.000 2.588 599 V HA 0.106 4.226 4.120 0.000 0.000 0.304 599 V C -0.543 175.485 176.094 -0.110 0.000 1.042 599 V CA -0.522 61.685 62.300 -0.155 0.000 0.877 599 V CB 2.358 33.911 31.823 -0.449 0.000 0.996 599 V HN -0.146 nan 8.190 nan 0.000 0.425 600 D N 7.421 127.803 120.400 -0.030 0.000 2.393 600 D HA 0.246 4.886 4.640 0.000 0.000 0.232 600 D C -1.146 175.116 176.300 -0.063 0.000 1.192 600 D CA -1.974 52.002 54.000 -0.040 0.000 0.882 600 D CB 1.881 42.676 40.800 -0.007 0.000 1.038 600 D HN 0.270 nan 8.370 nan 0.000 0.499 601 P HA -0.118 nan 4.420 nan 0.000 0.223 601 P C 0.723 177.977 177.300 -0.077 0.000 1.144 601 P CA 0.559 63.594 63.100 -0.109 0.000 0.783 601 P CB 0.325 31.954 31.700 -0.118 0.000 0.771 602 A N -0.285 122.506 122.820 -0.048 0.000 2.195 602 A HA 0.109 4.429 4.320 0.000 0.000 0.210 602 A C 1.585 179.168 177.584 -0.002 0.000 1.165 602 A CA 0.120 52.142 52.037 -0.027 0.000 0.806 602 A CB -0.309 18.678 19.000 -0.022 0.000 0.847 602 A HN 0.086 nan 8.150 nan 0.000 0.482 603 R N 0.109 120.614 120.500 0.008 0.000 3.026 603 R HA 0.457 4.797 4.340 0.000 0.000 0.317 603 R C -1.248 175.101 176.300 0.083 0.000 1.278 603 R CA 0.045 56.175 56.100 0.049 0.000 1.407 603 R CB 0.399 30.730 30.300 0.051 0.000 1.368 603 R HN 0.320 nan 8.270 nan 0.000 0.612 604 I N 0.648 121.257 120.570 0.065 0.000 2.330 604 I HA 0.409 4.579 4.170 0.000 0.000 0.289 604 I C 0.611 176.852 176.117 0.206 0.000 1.001 604 I CA -0.623 60.734 61.300 0.095 0.000 1.193 604 I CB 1.907 39.884 38.000 -0.038 0.000 1.345 604 I HN 0.276 nan 8.210 nan 0.000 0.461 605 G N 4.750 113.713 108.800 0.272 0.000 2.489 605 G HA2 0.652 4.612 3.960 0.000 0.000 0.327 605 G HA3 0.652 4.612 3.960 0.000 0.000 0.327 605 G C -1.523 173.591 174.900 0.357 0.000 1.189 605 G CA -0.544 44.748 45.100 0.320 0.000 0.962 605 G HN 0.379 nan 8.290 nan 0.000 0.486 606 V N 0.432 120.516 119.914 0.283 0.000 2.789 606 V HA 0.847 4.967 4.120 0.000 0.000 0.311 606 V C -1.126 175.051 176.094 0.138 0.000 1.073 606 V CA -0.628 61.779 62.300 0.178 0.000 0.921 606 V CB 1.833 33.606 31.823 -0.083 0.000 1.009 606 V HN 1.111 nan 8.190 nan 0.000 0.426 607 Q N 4.543 124.442 119.800 0.166 0.000 2.391 607 Q HA 0.891 5.231 4.340 0.000 0.000 0.279 607 Q C -0.759 175.348 176.000 0.178 0.000 1.028 607 Q CA -0.658 55.256 55.803 0.184 0.000 0.836 607 Q CB 2.453 31.359 28.738 0.280 0.000 1.414 607 Q HN 1.278 nan 8.270 nan 0.000 0.397 608 G N 0.553 109.444 108.800 0.152 0.000 2.616 608 G HA2 0.385 4.345 3.960 0.000 0.000 0.294 608 G HA3 0.385 4.345 3.960 0.000 0.000 0.294 608 G C -2.419 172.611 174.900 0.216 0.000 1.489 608 G CA -0.705 44.478 45.100 0.138 0.000 0.836 608 G HN 0.501 nan 8.290 nan 0.000 0.527 609 W N 1.599 122.939 121.300 0.066 0.000 2.578 609 W HA 0.531 5.191 4.660 0.000 0.000 0.346 609 W C 0.988 177.558 176.519 0.084 0.000 1.075 609 W CA 0.704 58.062 57.345 0.021 0.000 1.233 609 W CB 1.969 31.421 29.460 -0.014 0.000 1.358 609 W HN 1.212 nan 8.180 nan 0.000 0.574 610 S N 2.537 118.145 115.700 -0.153 0.000 4.139 610 S HA -0.451 4.019 4.470 0.000 0.000 0.603 610 S C 1.334 175.939 174.600 0.008 0.000 1.897 610 S CA 2.394 60.631 58.200 0.062 0.000 4.241 610 S CB -1.617 61.876 63.200 0.488 0.000 0.221 610 S HN 0.789 nan 8.310 nan 0.000 0.488 611 N N 1.129 119.836 118.700 0.012 0.000 2.289 611 N HA 0.037 4.777 4.740 0.000 0.000 0.184 611 N C 1.740 177.138 175.510 -0.187 0.000 1.016 611 N CA 2.117 55.057 53.050 -0.184 0.000 0.872 611 N CB -0.949 37.136 38.487 -0.670 0.000 0.973 611 N HN 0.640 nan 8.380 nan 0.000 0.433 612 G N -0.870 107.846 108.800 -0.140 0.000 2.422 612 G HA2 -0.143 3.817 3.960 0.000 0.000 0.218 612 G HA3 -0.143 3.817 3.960 0.000 0.000 0.218 612 G C 1.435 176.310 174.900 -0.041 0.000 1.140 612 G CA 0.744 45.812 45.100 -0.053 0.000 0.775 612 G HN 0.429 nan 8.290 nan 0.000 0.545 613 G N -0.086 108.683 108.800 -0.052 0.000 2.404 613 G HA2 -0.217 3.744 3.960 0.000 0.000 0.215 613 G HA3 -0.217 3.744 3.960 0.000 0.000 0.215 613 G C 1.593 176.436 174.900 -0.096 0.000 1.174 613 G CA 1.015 46.044 45.100 -0.118 0.000 0.780 613 G HN 0.442 nan 8.290 nan 0.000 0.537 614 Y N 0.566 120.757 120.300 -0.182 0.000 2.128 614 Y HA -0.154 4.396 4.550 0.000 0.000 0.284 614 Y C 2.814 178.646 175.900 -0.113 0.000 1.154 614 Y CA 1.898 59.904 58.100 -0.155 0.000 1.149 614 Y CB -0.071 38.319 38.460 -0.116 0.000 0.976 614 Y HN 0.067 nan 8.280 nan 0.000 0.505 615 M N -0.013 119.568 119.600 -0.032 0.000 2.065 615 M HA -0.226 4.254 4.480 0.000 0.000 0.259 615 M C 2.148 178.313 176.300 -0.224 0.000 1.069 615 M CA 2.326 57.544 55.300 -0.137 0.000 1.110 615 M CB -1.520 31.038 32.600 -0.071 0.000 1.328 615 M HN 0.286 nan 8.290 nan 0.000 0.405 616 T N 1.480 115.927 114.554 -0.180 0.000 2.699 616 T HA -0.158 4.192 4.350 0.000 0.000 0.268 616 T C 1.991 176.556 174.700 -0.224 0.000 1.036 616 T CA 1.230 63.212 62.100 -0.197 0.000 1.147 616 T CB -0.360 68.435 68.868 -0.122 0.000 0.862 616 T HN 0.322 nan 8.240 nan 0.000 0.446 617 L N -0.020 121.062 121.223 -0.235 0.000 2.056 617 L HA -0.047 4.293 4.340 0.000 0.000 0.207 617 L C 2.746 179.454 176.870 -0.270 0.000 1.078 617 L CA 0.844 55.542 54.840 -0.236 0.000 0.749 617 L CB -0.492 41.420 42.059 -0.245 0.000 0.901 617 L HN 0.249 nan 8.230 nan 0.000 0.433 618 M N -0.467 118.905 119.600 -0.380 0.000 2.175 618 M HA -0.156 4.324 4.480 0.000 0.000 0.264 618 M C 2.328 178.476 176.300 -0.255 0.000 1.063 618 M CA 1.661 56.742 55.300 -0.365 0.000 1.119 618 M CB -0.870 31.438 32.600 -0.486 0.000 1.377 618 M HN 0.251 nan 8.290 nan 0.000 0.415 619 L N -0.466 120.600 121.223 -0.262 0.000 2.005 619 L HA -0.208 4.132 4.340 0.000 0.000 0.207 619 L C 2.408 179.170 176.870 -0.180 0.000 1.072 619 L CA 1.055 55.740 54.840 -0.258 0.000 0.744 619 L CB -0.674 41.068 42.059 -0.528 0.000 0.895 619 L HN 0.247 nan 8.230 nan 0.000 0.433 620 L N -0.492 120.616 121.223 -0.192 0.000 2.131 620 L HA -0.173 4.167 4.340 0.000 0.000 0.210 620 L C 2.746 179.595 176.870 -0.035 0.000 1.092 620 L CA 0.998 55.796 54.840 -0.070 0.000 0.759 620 L CB -0.614 41.409 42.059 -0.060 0.000 0.903 620 L HN 0.252 nan 8.230 nan 0.000 0.435 621 A N -0.296 122.478 122.820 -0.077 0.000 2.016 621 A HA -0.114 4.206 4.320 0.000 0.000 0.217 621 A C 2.148 179.716 177.584 -0.027 0.000 1.162 621 A CA 1.128 53.139 52.037 -0.044 0.000 0.662 621 A CB -0.080 18.887 19.000 -0.055 0.000 0.812 621 A HN 0.309 nan 8.150 nan 0.000 0.450 622 K N -1.392 118.972 120.400 -0.060 0.000 2.358 622 K HA 0.417 4.737 4.320 0.000 0.000 0.200 622 K C 0.081 176.692 176.600 0.019 0.000 1.030 622 K CA 0.587 56.847 56.287 -0.045 0.000 1.097 622 K CB 0.672 33.102 32.500 -0.117 0.000 0.862 622 K HN 0.318 nan 8.250 nan 0.000 0.534 623 A N 0.492 123.349 122.820 0.063 0.000 3.368 623 A HA 0.178 4.498 4.320 0.000 0.000 0.211 623 A C 0.412 178.108 177.584 0.186 0.000 1.004 623 A CA -0.429 51.686 52.037 0.130 0.000 1.059 623 A CB 0.094 19.215 19.000 0.201 0.000 1.298 623 A HN -0.011 nan 8.150 nan 0.000 0.613 624 S N 0.533 116.304 115.700 0.119 0.000 2.447 624 S HA -0.134 4.336 4.470 0.000 0.000 0.233 624 S C 1.544 176.209 174.600 0.108 0.000 1.006 624 S CA 1.906 60.181 58.200 0.126 0.000 0.957 624 S CB -0.199 63.050 63.200 0.083 0.000 0.773 624 S HN 0.911 nan 8.310 nan 0.000 0.507 625 D N 0.258 120.703 120.400 0.075 0.000 2.371 625 D HA 0.036 4.676 4.640 0.000 0.000 0.221 625 D C 1.456 177.763 176.300 0.012 0.000 0.986 625 D CA 0.570 54.593 54.000 0.039 0.000 0.899 625 D CB -0.114 40.701 40.800 0.026 0.000 0.902 625 D HN 0.203 nan 8.370 nan 0.000 0.530 626 S N -1.462 114.249 115.700 0.019 0.000 2.545 626 S HA 0.151 4.621 4.470 0.000 0.000 0.232 626 S C -0.228 174.229 174.600 -0.240 0.000 1.070 626 S CA -0.240 57.882 58.200 -0.129 0.000 0.923 626 S CB 0.109 63.197 63.200 -0.186 0.000 0.806 626 S HN 0.200 nan 8.310 nan 0.000 0.506 627 Y N 0.437 120.759 120.300 0.037 0.000 2.360 627 Y HA 0.640 5.190 4.550 0.000 0.000 0.337 627 Y C 1.005 176.941 175.900 0.060 0.000 1.039 627 Y CA -0.747 57.387 58.100 0.056 0.000 1.109 627 Y CB 1.062 39.562 38.460 0.067 0.000 1.201 627 Y HN 0.075 nan 8.280 nan 0.000 0.458 628 A N 1.668 124.607 122.820 0.197 0.000 1.970 628 A HA 0.124 4.444 4.320 0.000 0.000 0.216 628 A C 0.564 178.244 177.584 0.160 0.000 1.170 628 A CA 1.314 53.434 52.037 0.138 0.000 0.645 628 A CB -0.516 18.544 19.000 0.099 0.000 0.816 628 A HN 0.870 nan 8.150 nan 0.000 0.447 629 c N -5.350 113.380 118.600 0.218 0.000 3.275 629 c HA 0.765 5.335 4.570 0.000 0.000 0.340 629 c C -0.115 174.150 174.090 0.291 0.000 1.366 629 c CA -0.338 56.147 56.329 0.259 0.000 1.227 629 c CB 1.014 43.663 42.510 0.233 0.000 1.512 629 c HN 1.122 nan 8.230 nan 0.000 0.461 630 G N -0.246 108.743 108.800 0.315 0.000 2.733 630 G HA2 0.672 4.632 3.960 0.000 0.000 0.297 630 G HA3 0.672 4.632 3.960 0.000 0.000 0.297 630 G C -1.912 173.061 174.900 0.122 0.000 1.422 630 G CA -0.525 44.692 45.100 0.194 0.000 0.942 630 G HN 1.370 nan 8.290 nan 0.000 0.510 631 V N 1.202 121.167 119.914 0.084 0.000 2.326 631 V HA 0.659 4.779 4.120 0.000 0.000 0.281 631 V C 0.453 176.542 176.094 -0.009 0.000 1.015 631 V CA -0.692 61.599 62.300 -0.016 0.000 0.823 631 V CB 1.068 32.925 31.823 0.056 0.000 1.009 631 V HN 1.132 nan 8.190 nan 0.000 0.436 632 A N 3.974 126.745 122.820 -0.081 0.000 2.252 632 A HA 0.772 5.092 4.320 0.000 0.000 0.309 632 A C 0.542 178.000 177.584 -0.210 0.000 1.285 632 A CA -0.079 51.885 52.037 -0.122 0.000 0.900 632 A CB 0.637 19.547 19.000 -0.150 0.000 1.157 632 A HN 0.950 nan 8.150 nan 0.000 0.536 633 G N 1.335 109.959 108.800 -0.293 0.000 2.332 633 G HA2 0.616 4.576 3.960 0.000 0.000 0.310 633 G HA3 0.616 4.576 3.960 0.000 0.000 0.310 633 G C 0.682 174.735 174.900 -1.411 0.000 1.123 633 G CA 0.098 44.693 45.100 -0.842 0.000 0.873 633 G HN 2.232 nan 8.290 nan 0.000 0.460 634 A N 2.788 124.667 122.820 -1.569 0.000 2.208 634 A HA -0.105 4.215 4.320 0.000 0.000 0.277 634 A C -1.668 175.437 177.584 -0.798 0.000 1.377 634 A CA 0.544 51.657 52.037 -1.540 0.000 0.758 634 A CB -1.243 16.886 19.000 -1.451 0.000 1.122 634 A HN 0.560 nan 8.150 nan 0.000 0.350 635 P HA 0.374 nan 4.420 nan 0.000 0.279 635 P C -0.091 177.086 177.300 -0.204 0.000 1.239 635 P CA -0.131 62.809 63.100 -0.266 0.000 0.789 635 P CB 1.486 33.063 31.700 -0.204 0.000 0.933 636 V N 3.501 123.241 119.914 -0.290 0.000 2.465 636 V HA 0.146 4.266 4.120 0.000 0.000 0.279 636 V C 1.643 177.537 176.094 -0.333 0.000 1.045 636 V CA 0.475 62.472 62.300 -0.505 0.000 0.938 636 V CB 0.935 32.027 31.823 -1.218 0.000 0.986 636 V HN 0.769 nan 8.190 nan 0.000 0.467 637 T N -0.612 113.780 114.554 -0.270 0.000 2.971 637 T HA 0.197 4.547 4.350 0.000 0.000 0.252 637 T C 0.169 174.805 174.700 -0.108 0.000 1.022 637 T CA -0.030 61.995 62.100 -0.125 0.000 0.980 637 T CB 0.329 69.128 68.868 -0.116 0.000 1.044 637 T HN 0.540 nan 8.240 nan 0.000 0.501 638 D N -0.641 119.622 120.400 -0.228 0.000 2.616 638 D HA 0.248 4.888 4.640 0.000 0.000 0.238 638 D C -0.615 175.598 176.300 -0.145 0.000 1.354 638 D CA -0.753 53.186 54.000 -0.101 0.000 0.970 638 D CB 0.736 41.537 40.800 0.002 0.000 1.369 638 D HN 0.154 nan 8.370 nan 0.000 0.585 639 W N 2.388 123.714 121.300 0.045 0.000 2.465 639 W HA 0.075 4.735 4.660 -0.000 0.000 0.268 639 W C 2.280 178.940 176.519 0.234 0.000 1.242 639 W CA 0.552 57.929 57.345 0.053 0.000 1.248 639 W CB 0.240 29.641 29.460 -0.099 0.000 1.118 639 W HN 0.609 nan 8.180 nan 0.000 0.587 640 G N 0.492 109.570 108.800 0.463 0.000 2.462 640 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 640 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 640 G C 1.316 176.397 174.900 0.302 0.000 1.121 640 G CA 0.700 46.053 45.100 0.423 0.000 0.758 640 G HN 0.257 nan 8.290 nan 0.000 0.559 641 L N -1.342 120.036 121.223 0.259 0.000 2.492 641 L HA 0.275 4.615 4.340 0.000 0.000 0.223 641 L C 1.233 178.323 176.870 0.367 0.000 1.132 641 L CA -0.406 54.574 54.840 0.234 0.000 0.850 641 L CB -0.196 41.941 42.059 0.129 0.000 0.966 641 L HN 0.198 nan 8.230 nan 0.000 0.454 642 Y N 1.803 122.270 120.300 0.278 0.000 2.295 642 Y HA 0.051 4.601 4.550 0.000 0.000 0.331 642 Y C 0.751 176.868 175.900 0.362 0.000 1.311 642 Y CA -1.368 56.948 58.100 0.360 0.000 1.430 642 Y CB 0.728 39.437 38.460 0.416 0.000 1.339 642 Y HN 0.188 nan 8.280 nan 0.000 0.552 643 D N -0.028 120.312 120.400 -0.099 0.000 2.378 643 D HA -0.004 4.636 4.640 0.000 0.000 0.238 643 D C 0.976 177.334 176.300 0.098 0.000 1.180 643 D CA 0.387 54.268 54.000 -0.197 0.000 0.895 643 D CB 0.962 41.539 40.800 -0.370 0.000 1.192 643 D HN 0.534 nan 8.370 nan 0.000 0.438 644 S N 0.629 116.362 115.700 0.055 0.000 2.378 644 S HA -0.373 4.097 4.470 0.000 0.000 0.221 644 S C 1.912 176.613 174.600 0.168 0.000 1.037 644 S CA 1.338 59.624 58.200 0.144 0.000 1.069 644 S CB -1.032 62.260 63.200 0.153 0.000 1.006 644 S HN 0.685 nan 8.310 nan 0.000 0.423 645 H N 0.197 119.307 119.070 0.067 0.000 2.353 645 H HA -0.143 4.413 4.556 0.000 0.000 0.298 645 H C 2.059 177.336 175.328 -0.084 0.000 1.103 645 H CA 2.193 58.183 56.048 -0.098 0.000 1.293 645 H CB -0.604 28.983 29.762 -0.292 0.000 1.372 645 H HN 0.649 nan 8.280 nan 0.000 0.501 646 Y N 1.064 121.445 120.300 0.134 0.000 2.114 646 Y HA -0.179 4.371 4.550 0.000 0.000 0.284 646 Y C 2.734 178.686 175.900 0.087 0.000 1.119 646 Y CA 2.264 60.453 58.100 0.148 0.000 1.108 646 Y CB -0.584 38.074 38.460 0.331 0.000 0.995 646 Y HN 0.066 nan 8.280 nan 0.000 0.491 647 T N 0.552 115.371 114.554 0.442 0.000 2.684 647 T HA -0.214 4.136 4.350 0.000 0.000 0.267 647 T C 1.597 176.292 174.700 -0.009 0.000 1.036 647 T CA 1.979 64.236 62.100 0.261 0.000 1.148 647 T CB -0.358 68.781 68.868 0.451 0.000 0.863 647 T HN 0.444 nan 8.240 nan 0.000 0.436 648 E N 0.456 120.672 120.200 0.025 0.000 2.204 648 E HA -0.114 4.236 4.350 0.000 0.000 0.195 648 E C 2.364 178.849 176.600 -0.191 0.000 0.990 648 E CA 0.539 56.928 56.400 -0.019 0.000 0.821 648 E CB -0.116 29.605 29.700 0.036 0.000 0.750 648 E HN 0.329 nan 8.360 nan 0.000 0.477 649 R N -0.077 120.167 120.500 -0.426 0.000 2.096 649 R HA -0.159 4.181 4.340 0.000 0.000 0.235 649 R C 1.110 176.851 176.300 -0.932 0.000 1.127 649 R CA 1.457 57.099 56.100 -0.764 0.000 0.968 649 R CB 0.049 29.610 30.300 -1.231 0.000 0.861 649 R HN 0.254 nan 8.270 nan 0.000 0.440 650 Y N -2.448 117.513 120.300 -0.565 0.000 2.444 650 Y HA 0.238 4.788 4.550 0.000 0.000 0.249 650 Y C 1.306 176.849 175.900 -0.595 0.000 1.134 650 Y CA -0.310 57.462 58.100 -0.546 0.000 1.261 650 Y CB 0.792 38.828 38.460 -0.707 0.000 1.143 650 Y HN -0.036 nan 8.280 nan 0.000 0.523 651 M N -0.287 119.041 119.600 -0.453 0.000 2.306 651 M HA 0.182 4.662 4.480 0.000 0.000 0.292 651 M C -0.434 175.644 176.300 -0.371 0.000 1.018 651 M CA 0.259 55.250 55.300 -0.516 0.000 1.007 651 M CB -0.317 31.918 32.600 -0.608 0.000 1.510 651 M HN 0.168 nan 8.290 nan 0.000 0.537 652 D N 0.785 120.981 120.400 -0.339 0.000 9.601 652 D HA -0.171 4.469 4.640 0.000 0.000 0.351 652 D C -0.711 175.656 176.300 0.113 0.000 2.917 652 D CA 0.544 54.518 54.000 -0.043 0.000 2.218 652 D CB -0.044 40.723 40.800 -0.055 0.000 1.166 652 D HN 0.201 nan 8.370 nan 0.000 1.105 653 L N 1.286 122.579 121.223 0.115 0.000 2.439 653 L HA 0.222 4.562 4.340 0.000 0.000 0.269 653 L C -1.020 175.877 176.870 0.046 0.000 1.179 653 L CA -1.358 53.533 54.840 0.085 0.000 0.828 653 L CB 0.269 42.356 42.059 0.046 0.000 1.106 653 L HN 0.399 nan 8.230 nan 0.000 0.467 654 P HA -0.179 nan 4.420 nan 0.000 0.216 654 P C 1.206 178.374 177.300 -0.220 0.000 1.150 654 P CA 1.456 64.276 63.100 -0.466 0.000 0.837 654 P CB 0.225 31.632 31.700 -0.489 0.000 0.786 655 A N 0.465 123.221 122.820 -0.106 0.000 1.877 655 A HA -0.193 4.127 4.320 0.000 0.000 0.216 655 A C 2.038 179.613 177.584 -0.016 0.000 1.186 655 A CA 1.403 53.407 52.037 -0.055 0.000 0.620 655 A CB -1.021 17.959 19.000 -0.034 0.000 0.822 655 A HN 0.151 nan 8.150 nan 0.000 0.443 656 R N -0.840 119.667 120.500 0.011 0.000 2.323 656 R HA 0.040 4.380 4.340 0.000 0.000 0.198 656 R C 0.132 176.468 176.300 0.061 0.000 0.988 656 R CA 0.930 57.053 56.100 0.038 0.000 1.041 656 R CB -0.281 30.052 30.300 0.054 0.000 0.926 656 R HN 0.458 nan 8.270 nan 0.000 0.476 657 N N 0.513 119.257 118.700 0.073 0.000 2.636 657 N HA 0.008 4.748 4.740 0.000 0.000 0.287 657 N C -0.469 175.143 175.510 0.171 0.000 1.817 657 N CA -0.127 53.000 53.050 0.128 0.000 0.842 657 N CB 0.539 39.126 38.487 0.167 0.000 1.353 657 N HN -0.084 nan 8.380 nan 0.000 0.500 658 D N 0.207 120.654 120.400 0.079 0.000 2.104 658 D HA -0.070 4.570 4.640 0.000 0.000 0.194 658 D C 1.818 178.191 176.300 0.122 0.000 0.994 658 D CA 1.787 55.825 54.000 0.063 0.000 0.830 658 D CB 0.329 41.142 40.800 0.022 0.000 0.959 658 D HN 0.485 nan 8.370 nan 0.000 0.452 659 A N -0.079 122.800 122.820 0.099 0.000 1.978 659 A HA -0.025 4.295 4.320 0.000 0.000 0.220 659 A C 2.295 179.950 177.584 0.118 0.000 1.170 659 A CA 1.988 54.080 52.037 0.092 0.000 0.636 659 A CB -1.223 17.818 19.000 0.068 0.000 0.810 659 A HN 0.377 nan 8.150 nan 0.000 0.448 660 G N -1.547 107.337 108.800 0.141 0.000 2.414 660 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 660 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 660 G C 1.477 176.446 174.900 0.116 0.000 1.188 660 G CA 1.128 46.289 45.100 0.101 0.000 0.783 660 G HN 0.576 nan 8.290 nan 0.000 0.537 661 Y N 0.325 120.657 120.300 0.052 0.000 2.224 661 Y HA -0.066 4.484 4.550 0.000 0.000 0.289 661 Y C 3.043 179.004 175.900 0.101 0.000 1.146 661 Y CA 1.466 59.619 58.100 0.088 0.000 1.182 661 Y CB -0.094 38.413 38.460 0.077 0.000 0.983 661 Y HN 0.027 nan 8.280 nan 0.000 0.524 662 R N 0.498 121.134 120.500 0.226 0.000 2.083 662 R HA -0.195 4.145 4.340 0.000 0.000 0.237 662 R C 1.995 178.369 176.300 0.122 0.000 1.137 662 R CA 1.682 57.861 56.100 0.132 0.000 0.951 662 R CB -0.135 30.213 30.300 0.081 0.000 0.851 662 R HN 0.284 nan 8.270 nan 0.000 0.434 663 E N -0.084 120.205 120.200 0.148 0.000 2.150 663 E HA -0.120 4.230 4.350 0.000 0.000 0.193 663 E C 1.629 178.413 176.600 0.307 0.000 0.985 663 E CA 1.132 57.667 56.400 0.226 0.000 0.814 663 E CB -0.025 29.777 29.700 0.171 0.000 0.752 663 E HN 0.406 nan 8.360 nan 0.000 0.466 664 A N 1.005 123.964 122.820 0.232 0.000 2.119 664 A HA -0.038 4.282 4.320 0.000 0.000 0.216 664 A C 1.138 178.959 177.584 0.395 0.000 1.152 664 A CA 0.149 52.374 52.037 0.313 0.000 0.708 664 A CB -0.119 19.012 19.000 0.218 0.000 0.805 664 A HN 0.013 nan 8.150 nan 0.000 0.460 665 R N -0.070 120.595 120.500 0.276 0.000 2.489 665 R HA 0.199 4.539 4.340 0.000 0.000 0.287 665 R C 0.946 177.352 176.300 0.176 0.000 1.053 665 R CA -0.155 56.067 56.100 0.203 0.000 1.036 665 R CB 0.829 31.197 30.300 0.113 0.000 0.966 665 R HN 0.133 nan 8.270 nan 0.000 0.432 666 V N 4.554 124.532 119.914 0.106 0.000 2.343 666 V HA -0.270 3.850 4.120 0.000 0.000 0.247 666 V C 2.332 178.442 176.094 0.026 0.000 1.051 666 V CA 1.680 63.992 62.300 0.020 0.000 1.036 666 V CB -0.471 31.301 31.823 -0.086 0.000 0.654 666 V HN 0.719 nan 8.190 nan 0.000 0.451 667 L N -0.153 121.061 121.223 -0.015 0.000 2.127 667 L HA -0.203 4.137 4.340 0.000 0.000 0.211 667 L C 2.531 179.356 176.870 -0.076 0.000 1.089 667 L CA 1.834 56.646 54.840 -0.047 0.000 0.757 667 L CB -1.249 40.779 42.059 -0.050 0.000 0.899 667 L HN 0.374 nan 8.230 nan 0.000 0.434 668 T N -1.688 112.793 114.554 -0.122 0.000 2.897 668 T HA -0.183 4.167 4.350 0.000 0.000 0.271 668 T C 0.772 175.162 174.700 -0.516 0.000 1.084 668 T CA 1.347 63.253 62.100 -0.324 0.000 1.123 668 T CB -0.305 68.308 68.868 -0.426 0.000 0.865 668 T HN 0.512 nan 8.240 nan 0.000 0.496 669 H N -1.231 117.822 119.070 -0.028 0.000 2.510 669 H HA 0.411 4.967 4.556 0.000 0.000 0.266 669 H C 1.150 176.452 175.328 -0.042 0.000 1.146 669 H CA -0.543 55.487 56.048 -0.031 0.000 0.993 669 H CB -0.012 29.727 29.762 -0.037 0.000 1.727 669 H HN 0.079 nan 8.280 nan 0.000 0.590 670 I N 2.051 122.626 120.570 0.008 0.000 2.264 670 I HA -0.252 3.918 4.170 0.000 0.000 0.248 670 I C 2.276 178.389 176.117 -0.006 0.000 1.111 670 I CA 1.460 62.751 61.300 -0.016 0.000 1.382 670 I CB 0.016 37.989 38.000 -0.045 0.000 1.060 670 I HN 0.393 nan 8.210 nan 0.000 0.418 671 E N -0.221 119.980 120.200 0.002 0.000 2.204 671 E HA -0.148 4.202 4.350 0.000 0.000 0.195 671 E C 2.092 178.705 176.600 0.021 0.000 0.990 671 E CA 1.298 57.703 56.400 0.009 0.000 0.821 671 E CB -1.154 28.551 29.700 0.008 0.000 0.750 671 E HN 0.542 nan 8.360 nan 0.000 0.477 672 G N 1.261 110.080 108.800 0.033 0.000 2.712 672 G HA2 0.004 3.964 3.960 0.000 0.000 0.212 672 G HA3 0.004 3.964 3.960 0.000 0.000 0.212 672 G C 0.801 175.718 174.900 0.027 0.000 1.142 672 G CA -0.398 44.723 45.100 0.036 0.000 0.789 672 G HN 0.237 nan 8.290 nan 0.000 0.535 673 L N 1.394 122.626 121.223 0.014 0.000 2.448 673 L HA 0.303 4.643 4.340 0.000 0.000 0.278 673 L C 1.374 178.260 176.870 0.025 0.000 1.201 673 L CA -0.318 54.525 54.840 0.006 0.000 1.036 673 L CB 0.226 42.268 42.059 -0.029 0.000 1.325 673 L HN 0.141 nan 8.230 nan 0.000 0.441 674 R N 0.658 121.184 120.500 0.043 0.000 2.279 674 R HA 0.183 4.523 4.340 0.000 0.000 0.195 674 R C 0.641 176.987 176.300 0.076 0.000 0.905 674 R CA -0.189 55.945 56.100 0.056 0.000 1.044 674 R CB 0.422 30.752 30.300 0.050 0.000 1.056 674 R HN 0.450 nan 8.270 nan 0.000 0.535 675 S N 2.129 117.881 115.700 0.086 0.000 2.603 675 S HA 0.211 4.681 4.470 0.000 0.000 0.268 675 S C -2.362 172.328 174.600 0.151 0.000 1.317 675 S CA -0.993 57.275 58.200 0.114 0.000 1.012 675 S CB 0.957 64.235 63.200 0.130 0.000 0.926 675 S HN -0.092 nan 8.310 nan 0.000 0.539 676 P HA 0.123 nan 4.420 nan 0.000 0.260 676 P C -1.015 176.544 177.300 0.431 0.000 1.185 676 P CA -0.042 63.237 63.100 0.299 0.000 0.763 676 P CB 0.190 32.026 31.700 0.226 0.000 0.776 677 L N 5.578 127.011 121.223 0.351 0.000 2.346 677 L HA 0.693 5.033 4.340 0.000 0.000 0.274 677 L C -1.486 175.386 176.870 0.003 0.000 1.007 677 L CA -0.909 54.036 54.840 0.175 0.000 0.818 677 L CB 1.738 43.835 42.059 0.065 0.000 1.284 677 L HN 0.110 nan 8.230 nan 0.000 0.424 678 L N 5.548 126.548 121.223 -0.372 0.000 2.343 678 L HA 0.612 4.952 4.340 0.000 0.000 0.278 678 L C -1.724 175.013 176.870 -0.221 0.000 0.996 678 L CA -0.443 54.064 54.840 -0.556 0.000 0.831 678 L CB 1.445 42.678 42.059 -1.377 0.000 1.232 678 L HN 0.717 nan 8.230 nan 0.000 0.413 679 L N 6.467 127.664 121.223 -0.043 0.000 2.282 679 L HA 0.662 5.002 4.340 0.000 0.000 0.288 679 L C -0.922 175.967 176.870 0.032 0.000 1.033 679 L CA 0.046 54.878 54.840 -0.012 0.000 0.807 679 L CB 1.024 43.107 42.059 0.040 0.000 1.209 679 L HN 0.597 nan 8.230 nan 0.000 0.423 680 I N 4.462 125.024 120.570 -0.013 0.000 2.569 680 I HA 0.485 4.655 4.170 0.000 0.000 0.296 680 I C -1.014 175.100 176.117 -0.005 0.000 1.028 680 I CA -0.793 60.546 61.300 0.066 0.000 1.082 680 I CB 1.975 40.039 38.000 0.106 0.000 1.264 680 I HN 0.686 nan 8.210 nan 0.000 0.429 681 H N 1.800 120.927 119.070 0.096 0.000 3.121 681 H HA 0.419 4.975 4.556 0.000 0.000 0.337 681 H C -0.528 174.875 175.328 0.126 0.000 1.198 681 H CA -0.651 55.435 56.048 0.063 0.000 1.274 681 H CB 1.924 31.811 29.762 0.207 0.000 1.954 681 H HN 0.748 nan 8.280 nan 0.000 0.531 682 G N 2.710 111.748 108.800 0.397 0.000 2.353 682 G HA2 0.297 4.257 3.960 0.000 0.000 0.284 682 G HA3 0.297 4.257 3.960 0.000 0.000 0.284 682 G C 0.565 175.451 174.900 -0.022 0.000 1.172 682 G CA -0.629 44.592 45.100 0.201 0.000 0.854 682 G HN 0.704 nan 8.290 nan 0.000 0.485 683 M N 2.273 121.678 119.600 -0.325 0.000 2.659 683 M HA 0.095 4.575 4.480 0.000 0.000 0.243 683 M C 1.790 177.843 176.300 -0.410 0.000 1.111 683 M CA 0.637 55.518 55.300 -0.698 0.000 1.070 683 M CB 0.478 32.624 32.600 -0.756 0.000 1.525 683 M HN 0.579 nan 8.290 nan 0.000 0.517 684 A N -0.803 121.862 122.820 -0.259 0.000 2.589 684 A HA 0.106 4.426 4.320 0.000 0.000 0.283 684 A C 0.043 177.600 177.584 -0.045 0.000 1.187 684 A CA -0.410 51.489 52.037 -0.230 0.000 0.957 684 A CB 0.057 18.807 19.000 -0.417 0.000 1.175 684 A HN 0.231 nan 8.150 nan 0.000 0.532 685 D N 2.040 122.467 120.400 0.046 0.000 2.451 685 D HA 0.011 4.651 4.640 0.000 0.000 0.254 685 D C -0.373 175.996 176.300 0.114 0.000 1.204 685 D CA 0.540 54.640 54.000 0.166 0.000 0.896 685 D CB 0.720 41.727 40.800 0.345 0.000 1.136 685 D HN 0.446 nan 8.370 nan 0.000 0.499 686 D N 2.128 122.587 120.400 0.099 0.000 2.463 686 D HA -0.003 4.637 4.640 0.000 0.000 0.224 686 D C 0.506 176.839 176.300 0.055 0.000 1.174 686 D CA -0.318 53.713 54.000 0.051 0.000 0.829 686 D CB 0.150 40.981 40.800 0.051 0.000 0.993 686 D HN 0.173 nan 8.370 nan 0.000 0.497 687 N N -0.191 118.540 118.700 0.051 0.000 2.905 687 N HA 0.040 4.780 4.740 0.000 0.000 0.237 687 N C -0.587 174.962 175.510 0.066 0.000 1.017 687 N CA 0.415 53.471 53.050 0.009 0.000 1.127 687 N CB 0.970 39.306 38.487 -0.252 0.000 1.608 687 N HN -0.057 nan 8.380 nan 0.000 0.522 688 V N 4.081 123.999 119.914 0.008 0.000 2.277 688 V HA 0.374 4.494 4.120 0.000 0.000 0.269 688 V C 0.328 176.540 176.094 0.197 0.000 1.036 688 V CA -0.555 61.802 62.300 0.094 0.000 0.821 688 V CB 0.856 32.698 31.823 0.032 0.000 1.052 688 V HN 0.173 nan 8.190 nan 0.000 0.462 689 L N 3.735 125.019 121.223 0.101 0.000 2.573 689 L HA -0.025 4.315 4.340 0.000 0.000 0.290 689 L C 1.574 178.465 176.870 0.036 0.000 1.247 689 L CA 0.182 55.060 54.840 0.062 0.000 0.876 689 L CB -0.054 41.995 42.059 -0.017 0.000 1.123 689 L HN 0.620 nan 8.230 nan 0.000 0.505 690 F N 2.194 122.006 119.950 -0.230 0.000 2.307 690 F HA -0.197 4.330 4.527 0.000 0.000 0.301 690 F C 2.457 178.058 175.800 -0.332 0.000 1.076 690 F CA 1.653 59.333 58.000 -0.535 0.000 1.383 690 F CB -0.450 38.330 39.000 -0.366 0.000 1.055 690 F HN 0.700 nan 8.300 nan 0.000 0.526 691 T N -2.365 112.051 114.554 -0.228 0.000 2.929 691 T HA -0.198 4.152 4.350 0.000 0.000 0.271 691 T C 1.880 176.421 174.700 -0.266 0.000 1.085 691 T CA 1.284 63.228 62.100 -0.261 0.000 1.125 691 T CB -0.622 68.178 68.868 -0.113 0.000 0.874 691 T HN 0.334 nan 8.240 nan 0.000 0.494 692 N N 1.367 119.941 118.700 -0.210 0.000 2.120 692 N HA -0.051 4.689 4.740 0.000 0.000 0.188 692 N C 2.139 177.524 175.510 -0.209 0.000 1.024 692 N CA 1.523 54.479 53.050 -0.156 0.000 0.852 692 N CB -0.278 38.170 38.487 -0.064 0.000 1.003 692 N HN 0.425 nan 8.380 nan 0.000 0.424 693 S N 0.071 115.587 115.700 -0.308 0.000 2.362 693 S HA -0.085 4.385 4.470 0.000 0.000 0.221 693 S C 2.248 176.604 174.600 -0.406 0.000 1.032 693 S CA 1.576 59.591 58.200 -0.307 0.000 0.973 693 S CB -0.404 62.656 63.200 -0.234 0.000 0.849 693 S HN 0.622 nan 8.310 nan 0.000 0.465 694 T N 0.214 114.385 114.554 -0.639 0.000 2.788 694 T HA -0.097 4.253 4.350 0.000 0.000 0.268 694 T C 1.933 176.474 174.700 -0.265 0.000 1.044 694 T CA 1.688 63.512 62.100 -0.460 0.000 1.139 694 T CB -0.634 67.931 68.868 -0.505 0.000 0.867 694 T HN 0.285 nan 8.240 nan 0.000 0.454 695 S N 0.851 116.403 115.700 -0.247 0.000 2.368 695 S HA -0.066 4.404 4.470 0.000 0.000 0.225 695 S C 1.946 176.453 174.600 -0.155 0.000 1.030 695 S CA 1.249 59.350 58.200 -0.166 0.000 0.999 695 S CB -0.612 62.502 63.200 -0.142 0.000 0.844 695 S HN 0.469 nan 8.310 nan 0.000 0.459 696 L N 1.161 122.273 121.223 -0.185 0.000 2.072 696 L HA 0.175 4.515 4.340 0.000 0.000 0.205 696 L C 2.360 179.089 176.870 -0.236 0.000 1.079 696 L CA 1.783 56.501 54.840 -0.204 0.000 0.752 696 L CB -0.698 41.225 42.059 -0.227 0.000 0.906 696 L HN 0.368 nan 8.230 nan 0.000 0.436 697 M N -1.101 118.374 119.600 -0.209 0.000 2.073 697 M HA -0.277 4.203 4.480 0.000 0.000 0.258 697 M C 2.544 178.829 176.300 -0.025 0.000 1.070 697 M CA 2.315 57.559 55.300 -0.094 0.000 1.103 697 M CB -0.723 31.888 32.600 0.019 0.000 1.321 697 M HN 0.463 nan 8.290 nan 0.000 0.405 698 S N 0.060 115.727 115.700 -0.055 0.000 2.359 698 S HA -0.188 4.282 4.470 0.000 0.000 0.224 698 S C 1.969 176.548 174.600 -0.035 0.000 1.035 698 S CA 1.611 59.791 58.200 -0.034 0.000 1.018 698 S CB -0.303 62.862 63.200 -0.059 0.000 0.876 698 S HN 0.496 nan 8.310 nan 0.000 0.448 699 A N 1.537 124.315 122.820 -0.071 0.000 1.865 699 A HA -0.006 4.314 4.320 0.000 0.000 0.217 699 A C 2.301 179.851 177.584 -0.056 0.000 1.191 699 A CA 1.716 53.712 52.037 -0.068 0.000 0.623 699 A CB -0.997 17.947 19.000 -0.093 0.000 0.826 699 A HN 0.587 nan 8.150 nan 0.000 0.444 700 L N -0.960 120.205 121.223 -0.097 0.000 2.046 700 L HA -0.265 4.075 4.340 0.000 0.000 0.208 700 L C 2.919 179.834 176.870 0.074 0.000 1.077 700 L CA 1.708 56.510 54.840 -0.062 0.000 0.747 700 L CB -0.647 41.254 42.059 -0.263 0.000 0.896 700 L HN 0.503 nan 8.230 nan 0.000 0.432 701 Q N -0.338 119.538 119.800 0.128 0.000 2.170 701 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 701 Q C 2.066 178.105 176.000 0.064 0.000 0.976 701 Q CA 0.963 56.849 55.803 0.137 0.000 0.858 701 Q CB 0.000 28.819 28.738 0.134 0.000 0.907 701 Q HN 0.253 nan 8.270 nan 0.000 0.433 702 K N 0.851 121.271 120.400 0.033 0.000 2.283 702 K HA -0.105 4.215 4.320 0.000 0.000 0.202 702 K C 1.290 177.900 176.600 0.017 0.000 1.048 702 K CA 0.996 57.292 56.287 0.016 0.000 0.948 702 K CB 0.017 32.517 32.500 -0.000 0.000 0.742 702 K HN 0.377 nan 8.250 nan 0.000 0.458 703 R N -0.634 119.880 120.500 0.022 0.000 2.633 703 R HA 0.276 4.616 4.340 0.000 0.000 0.348 703 R C 0.709 177.030 176.300 0.036 0.000 1.100 703 R CA 0.352 56.465 56.100 0.021 0.000 1.068 703 R CB -0.194 30.113 30.300 0.011 0.000 1.351 703 R HN -0.005 nan 8.270 nan 0.000 0.575 704 G N 1.544 110.373 108.800 0.047 0.000 2.269 704 G HA2 -0.393 3.567 3.960 0.000 0.000 0.277 704 G HA3 -0.393 3.567 3.960 0.000 0.000 0.277 704 G C 0.010 174.955 174.900 0.076 0.000 1.008 704 G CA 0.845 45.978 45.100 0.055 0.000 0.774 704 G HN 0.514 nan 8.290 nan 0.000 0.511 705 Q N 1.242 121.103 119.800 0.101 0.000 2.323 705 Q HA 0.467 4.807 4.340 0.000 0.000 0.257 705 Q C -1.386 174.753 176.000 0.232 0.000 1.022 705 Q CA -2.069 53.811 55.803 0.128 0.000 0.919 705 Q CB 0.921 29.716 28.738 0.095 0.000 1.220 705 Q HN 0.372 nan 8.270 nan 0.000 0.427 706 P HA 0.247 nan 4.420 nan 0.000 0.271 706 P C -0.874 176.630 177.300 0.340 0.000 1.233 706 P CA -0.069 63.134 63.100 0.172 0.000 0.789 706 P CB 0.393 32.145 31.700 0.087 0.000 0.951 707 F N -3.040 116.942 119.950 0.054 0.000 3.031 707 F HA 0.499 5.026 4.527 0.000 0.000 0.326 707 F C -1.800 174.037 175.800 0.062 0.000 1.143 707 F CA -1.066 56.974 58.000 0.066 0.000 0.871 707 F CB 0.694 39.712 39.000 0.030 0.000 1.377 707 F HN 0.233 nan 8.300 nan 0.000 0.462 708 E N 1.305 121.582 120.200 0.130 0.000 2.256 708 E HA 0.703 5.053 4.350 0.000 0.000 0.267 708 E C -1.773 174.865 176.600 0.063 0.000 0.892 708 E CA -1.098 55.288 56.400 -0.024 0.000 0.775 708 E CB 3.124 32.876 29.700 0.087 0.000 1.207 708 E HN 0.645 nan 8.360 nan 0.000 0.420 709 L N 2.018 123.232 121.223 -0.015 0.000 2.283 709 L HA 0.739 5.079 4.340 0.000 0.000 0.259 709 L C -1.602 175.291 176.870 0.038 0.000 1.027 709 L CA -0.836 54.049 54.840 0.075 0.000 0.828 709 L CB 2.104 44.218 42.059 0.091 0.000 1.380 709 L HN 0.641 nan 8.230 nan 0.000 0.425 710 M N 2.368 122.007 119.600 0.065 0.000 2.437 710 M HA 0.375 4.855 4.480 0.000 0.000 0.203 710 M C -1.545 174.774 176.300 0.031 0.000 0.957 710 M CA -0.298 55.011 55.300 0.014 0.000 0.872 710 M CB 0.753 33.396 32.600 0.072 0.000 2.556 710 M HN 0.718 nan 8.290 nan 0.000 0.428 711 T N 1.234 115.731 114.554 -0.095 0.000 2.912 711 T HA 0.806 5.156 4.350 0.000 0.000 0.288 711 T C -1.030 173.468 174.700 -0.336 0.000 1.030 711 T CA -0.458 61.612 62.100 -0.050 0.000 1.020 711 T CB 1.379 70.232 68.868 -0.025 0.000 1.056 711 T HN 0.496 nan 8.240 nan 0.000 0.480 712 Y N 1.257 121.495 120.300 -0.103 0.000 2.345 712 Y HA 0.430 4.980 4.550 0.000 0.000 0.331 712 Y C -2.494 173.299 175.900 -0.178 0.000 0.959 712 Y CA -2.557 55.474 58.100 -0.116 0.000 1.204 712 Y CB 1.857 40.279 38.460 -0.064 0.000 1.135 712 Y HN 0.478 nan 8.280 nan 0.000 0.477 713 P HA 0.075 nan 4.420 nan 0.000 0.267 713 P C 0.833 178.071 177.300 -0.104 0.000 1.205 713 P CA 1.254 64.272 63.100 -0.136 0.000 0.765 713 P CB 0.829 32.476 31.700 -0.087 0.000 0.828 714 G N 2.175 110.794 108.800 -0.301 0.000 2.220 714 G HA2 -0.270 3.690 3.960 0.000 0.000 0.269 714 G HA3 -0.270 3.690 3.960 0.000 0.000 0.269 714 G C 0.509 175.345 174.900 -0.107 0.000 0.977 714 G CA 0.187 45.092 45.100 -0.327 0.000 0.634 714 G HN 0.852 nan 8.290 nan 0.000 0.539 715 A N -0.196 122.592 122.820 -0.053 0.000 2.371 715 A HA 0.711 5.031 4.320 0.000 0.000 0.257 715 A C 0.816 178.410 177.584 0.016 0.000 1.089 715 A CA 0.729 52.771 52.037 0.009 0.000 0.794 715 A CB 0.604 19.629 19.000 0.042 0.000 1.029 715 A HN 0.411 nan 8.150 nan 0.000 0.488 716 K N -0.782 119.653 120.400 0.060 0.000 2.443 716 K HA 0.206 4.526 4.320 0.000 0.000 0.284 716 K C 0.976 177.707 176.600 0.218 0.000 0.992 716 K CA -0.418 55.941 56.287 0.120 0.000 1.292 716 K CB -0.077 32.494 32.500 0.119 0.000 1.705 716 K HN 0.814 nan 8.250 nan 0.000 0.778 717 H N -0.488 118.674 119.070 0.152 0.000 2.462 717 H HA 0.119 4.675 4.556 0.000 0.000 0.292 717 H C 0.064 175.575 175.328 0.305 0.000 1.049 717 H CA 1.029 57.226 56.048 0.248 0.000 1.334 717 H CB -0.097 29.799 29.762 0.225 0.000 1.404 717 H HN 0.470 nan 8.280 nan 0.000 0.544 718 G N 0.375 109.219 108.800 0.073 0.000 2.470 718 G HA2 0.492 4.452 3.960 0.000 0.000 0.320 718 G HA3 0.492 4.452 3.960 0.000 0.000 0.320 718 G C -0.898 173.895 174.900 -0.179 0.000 1.245 718 G CA -0.683 44.314 45.100 -0.171 0.000 0.935 718 G HN 0.205 nan 8.290 nan 0.000 0.476 719 L N 1.412 122.426 121.223 -0.349 0.000 2.439 719 L HA 0.744 5.084 4.340 0.000 0.000 0.259 719 L C 0.756 177.472 176.870 -0.257 0.000 1.129 719 L CA -0.597 54.054 54.840 -0.315 0.000 0.803 719 L CB 1.512 43.273 42.059 -0.497 0.000 1.161 719 L HN 0.698 nan 8.230 nan 0.000 0.462 720 S N -0.711 114.881 115.700 -0.181 0.000 2.588 720 S HA 0.778 5.248 4.470 0.000 0.000 0.269 720 S C -0.123 174.431 174.600 -0.078 0.000 1.157 720 S CA -0.199 57.932 58.200 -0.115 0.000 0.824 720 S CB 1.474 64.631 63.200 -0.071 0.000 1.126 720 S HN 1.266 nan 8.310 nan 0.000 0.464 721 G N 1.865 110.638 108.800 -0.045 0.000 2.583 721 G HA2 -0.038 3.922 3.960 0.000 0.000 0.292 721 G HA3 -0.038 3.922 3.960 0.000 0.000 0.292 721 G C 1.173 176.066 174.900 -0.012 0.000 1.203 721 G CA 1.336 46.426 45.100 -0.018 0.000 0.987 721 G HN 2.029 nan 8.290 nan 0.000 0.554 722 A N -0.889 121.935 122.820 0.008 0.000 1.883 722 A HA -0.043 4.277 4.320 0.000 0.000 0.217 722 A C 2.078 179.689 177.584 0.045 0.000 1.186 722 A CA 2.743 54.803 52.037 0.037 0.000 0.624 722 A CB -0.787 18.241 19.000 0.045 0.000 0.822 722 A HN 0.724 nan 8.150 nan 0.000 0.444 723 D N 0.068 120.466 120.400 -0.004 0.000 2.133 723 D HA -0.133 4.507 4.640 0.000 0.000 0.195 723 D C 2.225 178.384 176.300 -0.234 0.000 0.997 723 D CA 1.699 55.649 54.000 -0.084 0.000 0.840 723 D CB -0.505 40.176 40.800 -0.198 0.000 0.947 723 D HN 0.451 nan 8.370 nan 0.000 0.452 724 A N 0.739 123.422 122.820 -0.228 0.000 1.858 724 A HA -0.147 4.173 4.320 0.000 0.000 0.216 724 A C 2.178 179.650 177.584 -0.186 0.000 1.190 724 A CA 1.309 53.156 52.037 -0.317 0.000 0.617 724 A CB -0.847 18.047 19.000 -0.178 0.000 0.827 724 A HN 0.271 nan 8.150 nan 0.000 0.443 725 L N -0.726 120.489 121.223 -0.014 0.000 2.079 725 L HA -0.210 4.130 4.340 0.000 0.000 0.210 725 L C 2.339 179.235 176.870 0.044 0.000 1.081 725 L CA 2.744 57.613 54.840 0.050 0.000 0.752 725 L CB -0.848 41.244 42.059 0.054 0.000 0.896 725 L HN 0.634 nan 8.230 nan 0.000 0.433 726 H N -0.099 118.968 119.070 -0.005 0.000 2.357 726 H HA -0.133 4.423 4.556 0.000 0.000 0.301 726 H C 2.348 177.706 175.328 0.049 0.000 1.082 726 H CA 1.648 57.736 56.048 0.067 0.000 1.342 726 H CB 0.086 29.955 29.762 0.179 0.000 1.389 726 H HN 0.326 nan 8.280 nan 0.000 0.511 727 R N 0.298 120.800 120.500 0.003 0.000 2.081 727 R HA -0.169 4.171 4.340 0.000 0.000 0.235 727 R C 1.818 177.930 176.300 -0.313 0.000 1.131 727 R CA 1.424 57.436 56.100 -0.146 0.000 0.960 727 R CB -0.842 29.174 30.300 -0.472 0.000 0.856 727 R HN 0.318 nan 8.270 nan 0.000 0.436 728 Y N 0.694 120.810 120.300 -0.307 0.000 2.242 728 Y HA -0.067 4.483 4.550 0.000 0.000 0.291 728 Y C 2.748 178.511 175.900 -0.227 0.000 1.137 728 Y CA 1.546 59.340 58.100 -0.509 0.000 1.181 728 Y CB -0.481 37.607 38.460 -0.621 0.000 0.989 728 Y HN 0.072 nan 8.280 nan 0.000 0.527 729 R N -0.210 120.277 120.500 -0.022 0.000 2.073 729 R HA -0.124 4.216 4.340 0.000 0.000 0.234 729 R C 2.199 178.493 176.300 -0.009 0.000 1.134 729 R CA 1.440 57.533 56.100 -0.012 0.000 0.952 729 R CB -0.675 29.578 30.300 -0.080 0.000 0.850 729 R HN 0.150 nan 8.270 nan 0.000 0.433 730 V N 0.453 120.310 119.914 -0.096 0.000 2.295 730 V HA -0.224 3.896 4.120 0.000 0.000 0.246 730 V C 2.292 178.454 176.094 0.113 0.000 1.049 730 V CA 1.942 64.229 62.300 -0.022 0.000 1.024 730 V CB -0.689 31.111 31.823 -0.038 0.000 0.648 730 V HN 0.550 nan 8.190 nan 0.000 0.447 731 A N -0.230 122.650 122.820 0.101 0.000 1.883 731 A HA -0.311 4.009 4.320 0.000 0.000 0.217 731 A C 2.256 180.052 177.584 0.353 0.000 1.186 731 A CA 2.193 54.351 52.037 0.202 0.000 0.624 731 A CB -0.606 18.461 19.000 0.111 0.000 0.822 731 A HN 0.676 nan 8.150 nan 0.000 0.444 732 E N -0.011 120.409 120.200 0.367 0.000 2.070 732 E HA -0.189 4.161 4.350 0.000 0.000 0.197 732 E C 2.092 178.887 176.600 0.324 0.000 1.004 732 E CA 1.497 58.145 56.400 0.414 0.000 0.805 732 E CB -0.355 29.589 29.700 0.407 0.000 0.744 732 E HN 0.516 nan 8.360 nan 0.000 0.451 733 A N 0.390 123.364 122.820 0.257 0.000 1.908 733 A HA -0.179 4.141 4.320 0.000 0.000 0.218 733 A C 2.062 179.783 177.584 0.229 0.000 1.181 733 A CA 1.464 53.627 52.037 0.209 0.000 0.627 733 A CB -0.970 18.126 19.000 0.160 0.000 0.818 733 A HN 0.550 nan 8.150 nan 0.000 0.445 734 F N 0.567 120.600 119.950 0.139 0.000 2.051 734 F HA -0.157 4.370 4.527 0.000 0.000 0.296 734 F C 1.987 177.884 175.800 0.162 0.000 1.122 734 F CA 1.971 60.052 58.000 0.135 0.000 1.201 734 F CB -0.287 38.790 39.000 0.129 0.000 0.978 734 F HN 0.137 nan 8.300 nan 0.000 0.472 735 L N 0.051 121.463 121.223 0.314 0.000 2.127 735 L HA -0.186 4.154 4.340 0.000 0.000 0.211 735 L C 2.752 179.753 176.870 0.218 0.000 1.089 735 L CA 1.203 56.181 54.840 0.231 0.000 0.757 735 L CB -1.648 40.561 42.059 0.249 0.000 0.899 735 L HN 0.408 nan 8.230 nan 0.000 0.434 736 G N 0.022 108.968 108.800 0.243 0.000 2.480 736 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 736 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 736 G C 1.698 176.641 174.900 0.071 0.000 1.200 736 G CA 0.507 45.729 45.100 0.202 0.000 0.782 736 G HN 0.286 nan 8.290 nan 0.000 0.554 737 R N -0.654 119.847 120.500 0.001 0.000 2.127 737 R HA -0.085 4.255 4.340 0.000 0.000 0.238 737 R C 2.564 178.807 176.300 -0.094 0.000 1.134 737 R CA 1.291 57.357 56.100 -0.055 0.000 0.975 737 R CB -0.650 29.596 30.300 -0.089 0.000 0.865 737 R HN 0.489 nan 8.270 nan 0.000 0.447 738 c N -0.337 118.174 118.600 -0.148 0.000 2.504 738 c HA 0.195 4.765 4.570 0.000 0.000 0.279 738 c C 2.079 176.170 174.090 0.002 0.000 1.358 738 c CA 0.026 56.283 56.329 -0.120 0.000 1.747 738 c CB -0.434 41.933 42.510 -0.238 0.000 2.037 738 c HN 0.401 nan 8.230 nan 0.000 0.503 739 L N -0.258 121.011 121.223 0.077 0.000 2.575 739 L HA 0.256 4.596 4.340 0.000 0.000 0.228 739 L C 0.373 177.269 176.870 0.044 0.000 1.075 739 L CA 0.128 55.041 54.840 0.121 0.000 0.867 739 L CB -0.312 41.928 42.059 0.302 0.000 1.097 739 L HN 0.147 nan 8.230 nan 0.000 0.485 740 K N 0.756 121.170 120.400 0.023 0.000 5.349 740 K HA -0.140 4.180 4.320 0.000 0.000 0.360 740 K C -2.297 174.227 176.600 -0.126 0.000 0.960 740 K CA -0.072 56.193 56.287 -0.036 0.000 1.134 740 K CB -1.445 31.036 32.500 -0.032 0.000 1.782 740 K HN 0.225 nan 8.250 nan 0.000 0.408 741 P HA 0.000 nan 4.420 nan 0.000 0.216 741 P CA 0.000 62.839 63.100 -0.436 0.000 0.800 741 P CB 0.000 31.196 31.700 -0.840 0.000 0.726