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 3naz_1_A DATA FIRST_RESID 2 DATA SEQUENCE SRDLQNHLLF ETATEVANRV GGIYSVLKSK APITVAQYKD HYHLIGPLNK DATA SEQUENCE ATYQNEVDIL DWKKPEAFSD EMRPVQHALQ TMESRGVHFV YGRWLIEGAP DATA SEQUENCE KVILFDLDSV RGYSNEWKGD LWSLVGIPSP ENDFETNDAI LLGYTVAWFL DATA SEQUENCE GEVAHLDSQH AIVAHFHEWL AGVALPLCRK RRIDVVTIFT THATLLGRYL DATA SEQUENCE CASGXXDFYN CLESVDVDHE AGRFGIYHRY CIERAAAHSA DVFTTVSQIT DATA SEQUENCE AFEAEHLLKR KPDGILPNGL NVIKFQXXXX XXXLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE XXXXXXXXXX XXXELLKSSD KVMLKRRILA LRRPEGQLPP IVTHNMVDDA DATA SEQUENCE NDLILNKIRQ VQLFNSPSDR VKMIFHPEFL NANNPILGLD YDEFVRGCHL DATA SEQUENCE GVFPSYYEPW GYTPAECTVM GVPSITTNVS GFGSYMEDLX XXXXAKDYGI DATA SEQUENCE YIVDRRFKAP DESVEQLVDY MEEFVKKTAA QAINQRNRTE RLSDLLDWKR DATA SEQUENCE MGLEYVKARQ LALRRGYPDQ FRELVGEELN DSNMDALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.537 174.600 -0.105 0.000 1.055 2 S CA 0.000 58.145 58.200 -0.092 0.000 1.107 2 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 3 R N 1.007 121.407 120.500 -0.166 0.000 2.577 3 R HA 0.395 4.740 4.340 0.009 0.000 0.269 3 R C -0.598 175.656 176.300 -0.076 0.000 1.084 3 R CA -0.716 55.303 56.100 -0.135 0.000 1.163 3 R CB 0.463 30.648 30.300 -0.191 0.000 1.100 3 R HN 0.431 nan 8.270 nan 0.000 0.547 4 D N 1.823 122.216 120.400 -0.011 0.000 2.428 4 D HA 0.091 4.736 4.640 0.009 0.000 0.221 4 D C 0.949 177.333 176.300 0.141 0.000 1.123 4 D CA -0.052 53.975 54.000 0.044 0.000 0.869 4 D CB 0.732 41.554 40.800 0.036 0.000 1.032 4 D HN 0.390 nan 8.370 nan 0.000 0.506 5 L N 2.518 123.818 121.223 0.129 0.000 2.056 5 L HA -0.162 4.184 4.340 0.009 0.000 0.207 5 L C 2.153 179.177 176.870 0.258 0.000 1.078 5 L CA 0.788 55.747 54.840 0.197 0.000 0.749 5 L CB -0.296 41.862 42.059 0.165 0.000 0.901 5 L HN 0.417 nan 8.230 nan 0.000 0.433 6 Q N 1.305 121.202 119.800 0.163 0.000 2.030 6 Q HA -0.193 4.153 4.340 0.009 0.000 0.204 6 Q C 0.995 177.106 176.000 0.186 0.000 0.986 6 Q CA 1.572 57.460 55.803 0.143 0.000 0.843 6 Q CB -0.146 28.623 28.738 0.052 0.000 0.904 6 Q HN 0.472 nan 8.270 nan 0.000 0.420 7 N N 0.618 119.426 118.700 0.180 0.000 2.817 7 N HA 0.156 4.901 4.740 0.009 0.000 0.234 7 N C -1.393 174.316 175.510 0.332 0.000 1.066 7 N CA -0.452 52.696 53.050 0.164 0.000 0.926 7 N CB 0.142 38.727 38.487 0.163 0.000 1.176 7 N HN 0.334 nan 8.380 nan 0.000 0.506 8 H N 0.547 119.779 119.070 0.270 0.000 2.693 8 H HA 0.660 5.221 4.556 0.009 0.000 0.348 8 H C -0.757 174.782 175.328 0.350 0.000 1.222 8 H CA -1.187 55.060 56.048 0.331 0.000 1.270 8 H CB 0.680 30.632 29.762 0.316 0.000 1.798 8 H HN 0.128 nan 8.280 nan 0.000 0.592 9 L N 0.658 122.133 121.223 0.420 0.000 2.375 9 L HA 0.377 4.723 4.340 0.009 0.000 0.268 9 L C -0.947 176.120 176.870 0.329 0.000 1.058 9 L CA -0.689 54.307 54.840 0.260 0.000 0.803 9 L CB 1.490 43.693 42.059 0.240 0.000 1.212 9 L HN 0.648 nan 8.230 nan 0.000 0.451 10 L N 2.320 123.560 121.223 0.028 0.000 2.439 10 L HA 0.555 4.900 4.340 0.009 0.000 0.270 10 L C -1.704 174.995 176.870 -0.286 0.000 0.972 10 L CA -0.069 54.776 54.840 0.009 0.000 0.836 10 L CB 1.222 43.193 42.059 -0.146 0.000 1.255 10 L HN 0.292 nan 8.230 nan 0.000 0.404 11 F N 3.385 123.397 119.950 0.103 0.000 2.366 11 F HA 0.453 4.986 4.527 0.009 0.000 0.366 11 F C 0.360 176.112 175.800 -0.080 0.000 1.096 11 F CA -0.476 57.525 58.000 0.001 0.000 1.060 11 F CB 1.499 40.527 39.000 0.046 0.000 1.282 11 F HN 0.468 nan 8.300 nan 0.000 0.450 12 E N 2.248 122.442 120.200 -0.009 0.000 2.167 12 E HA 0.393 4.748 4.350 0.009 0.000 0.284 12 E C -0.802 175.756 176.600 -0.071 0.000 1.016 12 E CA -0.241 56.162 56.400 0.005 0.000 0.817 12 E CB 0.980 30.722 29.700 0.070 0.000 1.080 12 E HN 0.470 nan 8.360 nan 0.000 0.397 13 T N 2.250 116.738 114.554 -0.110 0.000 2.829 13 T HA 0.782 5.138 4.350 0.009 0.000 0.280 13 T C -1.020 173.723 174.700 0.072 0.000 0.999 13 T CA -0.579 61.466 62.100 -0.091 0.000 0.983 13 T CB 1.585 70.312 68.868 -0.236 0.000 0.968 13 T HN 0.540 nan 8.240 nan 0.000 0.446 14 A N 1.554 124.394 122.820 0.033 0.000 2.599 14 A HA 0.595 4.920 4.320 0.009 0.000 0.294 14 A C 0.874 178.447 177.584 -0.018 0.000 1.055 14 A CA -0.759 51.307 52.037 0.049 0.000 0.683 14 A CB 0.393 19.393 19.000 0.000 0.000 1.278 14 A HN 0.619 nan 8.150 nan 0.000 0.412 15 T N 0.372 114.916 114.554 -0.017 0.000 2.881 15 T HA -0.078 4.278 4.350 0.009 0.000 0.270 15 T C 1.086 175.748 174.700 -0.064 0.000 1.068 15 T CA 2.308 64.381 62.100 -0.045 0.000 1.131 15 T CB -0.091 68.738 68.868 -0.066 0.000 0.871 15 T HN 0.670 nan 8.240 nan 0.000 0.479 16 E N 0.836 120.996 120.200 -0.067 0.000 2.489 16 E HA 0.071 4.426 4.350 0.009 0.000 0.193 16 E C 2.100 178.615 176.600 -0.140 0.000 1.057 16 E CA -0.141 56.240 56.400 -0.032 0.000 0.866 16 E CB -0.358 29.366 29.700 0.040 0.000 0.916 16 E HN 0.433 nan 8.360 nan 0.000 0.500 17 V N -0.929 118.811 119.914 -0.290 0.000 2.233 17 V HA -0.284 3.841 4.120 0.009 0.000 0.252 17 V C 1.622 176.996 176.094 -1.200 0.000 1.063 17 V CA 1.922 63.851 62.300 -0.619 0.000 1.032 17 V CB -0.771 30.753 31.823 -0.498 0.000 0.645 17 V HN 0.283 nan 8.190 nan 0.000 0.446 18 A N 1.437 123.796 122.820 -0.767 0.000 2.705 18 A HA 0.573 4.898 4.320 0.009 0.000 0.294 18 A C 0.215 177.711 177.584 -0.147 0.000 1.039 18 A CA 0.061 51.632 52.037 -0.777 0.000 1.005 18 A CB -0.772 17.766 19.000 -0.769 0.000 1.192 18 A HN 0.945 nan 8.150 nan 0.000 0.513 19 N N -1.236 117.479 118.700 0.025 0.000 2.629 19 N HA 0.224 4.970 4.740 0.009 0.000 0.277 19 N C -0.578 174.965 175.510 0.055 0.000 1.188 19 N CA -0.697 52.389 53.050 0.061 0.000 0.835 19 N CB 0.889 39.370 38.487 -0.009 0.000 1.420 19 N HN 0.166 nan 8.380 nan 0.000 0.542 20 R N 2.577 122.922 120.500 -0.259 0.000 2.637 20 R HA 0.036 4.381 4.340 0.009 0.000 0.331 20 R C -0.383 175.800 176.300 -0.195 0.000 1.166 20 R CA 0.219 55.997 56.100 -0.537 0.000 0.993 20 R CB 0.121 29.837 30.300 -0.973 0.000 1.012 20 R HN 0.647 nan 8.270 nan 0.000 0.461 21 V N 2.946 122.820 119.914 -0.067 0.000 3.572 21 V HA 0.278 4.404 4.120 0.009 0.000 0.260 21 V C 0.944 177.031 176.094 -0.011 0.000 1.324 21 V CA 0.777 63.056 62.300 -0.035 0.000 1.068 21 V CB 1.030 32.843 31.823 -0.017 0.000 0.837 21 V HN 0.824 nan 8.190 nan 0.000 0.450 22 G N -0.884 107.922 108.800 0.009 0.000 3.022 22 G HA2 0.510 4.475 3.960 0.009 0.000 0.284 22 G HA3 0.510 4.475 3.960 0.009 0.000 0.284 22 G C 0.610 175.541 174.900 0.052 0.000 1.375 22 G CA 0.216 45.333 45.100 0.028 0.000 0.902 22 G HN 0.090 nan 8.290 nan 0.000 0.538 23 G N -0.840 107.997 108.800 0.062 0.000 2.880 23 G HA2 0.120 4.085 3.960 0.009 0.000 0.209 23 G HA3 0.120 4.085 3.960 0.009 0.000 0.209 23 G C 1.323 176.265 174.900 0.070 0.000 1.157 23 G CA 0.186 45.340 45.100 0.090 0.000 0.779 23 G HN 0.429 nan 8.290 nan 0.000 0.539 24 I N -0.537 120.020 120.570 -0.021 0.000 2.439 24 I HA -0.106 4.069 4.170 0.009 0.000 0.251 24 I C 2.298 178.406 176.117 -0.016 0.000 1.139 24 I CA 0.613 61.826 61.300 -0.146 0.000 1.438 24 I CB -0.282 37.534 38.000 -0.305 0.000 1.085 24 I HN 0.242 nan 8.210 nan 0.000 0.427 25 Y N 2.030 122.300 120.300 -0.050 0.000 2.139 25 Y HA -0.360 4.195 4.550 0.009 0.000 0.282 25 Y C 2.684 178.623 175.900 0.064 0.000 1.179 25 Y CA 2.199 60.322 58.100 0.038 0.000 1.161 25 Y CB -0.080 38.404 38.460 0.040 0.000 0.970 25 Y HN 0.075 nan 8.280 nan 0.000 0.511 26 S N -0.855 114.966 115.700 0.201 0.000 2.377 26 S HA -0.134 4.341 4.470 0.009 0.000 0.223 26 S C 2.044 176.657 174.600 0.022 0.000 1.030 26 S CA 1.024 59.265 58.200 0.067 0.000 0.970 26 S CB -0.545 62.602 63.200 -0.090 0.000 0.830 26 S HN 0.319 nan 8.310 nan 0.000 0.473 27 V N 2.710 122.682 119.914 0.096 0.000 2.233 27 V HA -0.206 3.919 4.120 0.009 0.000 0.247 27 V C 2.260 178.355 176.094 0.002 0.000 1.050 27 V CA 1.737 64.162 62.300 0.208 0.000 1.010 27 V CB -0.856 31.099 31.823 0.219 0.000 0.637 27 V HN 0.407 nan 8.190 nan 0.000 0.444 28 L N -0.044 121.107 121.223 -0.121 0.000 2.012 28 L HA -0.255 4.090 4.340 0.009 0.000 0.210 28 L C 2.625 179.362 176.870 -0.221 0.000 1.073 28 L CA 2.360 57.087 54.840 -0.188 0.000 0.748 28 L CB -0.714 41.283 42.059 -0.103 0.000 0.891 28 L HN 0.388 nan 8.230 nan 0.000 0.431 29 K N 0.356 120.587 120.400 -0.282 0.000 2.057 29 K HA -0.191 4.134 4.320 0.009 0.000 0.207 29 K C 2.198 178.563 176.600 -0.393 0.000 1.049 29 K CA 1.830 57.765 56.287 -0.587 0.000 0.931 29 K CB -0.088 32.014 32.500 -0.663 0.000 0.714 29 K HN 0.341 nan 8.250 nan 0.000 0.440 30 S N -0.350 115.244 115.700 -0.176 0.000 2.527 30 S HA -0.005 4.471 4.470 0.009 0.000 0.222 30 S C 1.825 176.321 174.600 -0.174 0.000 0.985 30 S CA 0.489 58.687 58.200 -0.002 0.000 0.921 30 S CB 0.127 63.499 63.200 0.287 0.000 0.772 30 S HN 0.352 nan 8.310 nan 0.000 0.529 31 K N 0.982 121.038 120.400 -0.573 0.000 2.211 31 K HA 0.316 4.641 4.320 0.009 0.000 0.201 31 K C 2.277 178.401 176.600 -0.793 0.000 1.052 31 K CA 0.652 56.173 56.287 -1.277 0.000 0.973 31 K CB -0.465 31.141 32.500 -1.490 0.000 0.766 31 K HN 0.362 nan 8.250 nan 0.000 0.466 32 A N 2.368 124.864 122.820 -0.540 0.000 1.882 32 A HA -0.207 4.118 4.320 0.009 0.000 0.220 32 A C -0.684 176.667 177.584 -0.389 0.000 1.253 32 A CA 2.058 53.845 52.037 -0.416 0.000 0.664 32 A CB -1.887 16.906 19.000 -0.345 0.000 0.838 32 A HN 0.270 nan 8.150 nan 0.000 0.460 33 P HA -0.184 nan 4.420 nan 0.000 0.217 33 P C 1.498 178.663 177.300 -0.224 0.000 1.158 33 P CA 1.444 64.408 63.100 -0.227 0.000 0.887 33 P CB -0.107 31.495 31.700 -0.164 0.000 0.792 34 I N -1.030 119.381 120.570 -0.266 0.000 2.394 34 I HA -0.163 4.013 4.170 0.009 0.000 0.251 34 I C 2.168 178.130 176.117 -0.259 0.000 1.136 34 I CA 1.989 63.161 61.300 -0.214 0.000 1.425 34 I CB -1.222 36.673 38.000 -0.175 0.000 1.079 34 I HN 0.044 nan 8.210 nan 0.000 0.425 35 T N -2.802 111.494 114.554 -0.429 0.000 2.937 35 T HA -0.035 4.320 4.350 0.009 0.000 0.260 35 T C 1.961 176.425 174.700 -0.393 0.000 1.051 35 T CA 1.231 63.037 62.100 -0.490 0.000 1.141 35 T CB -0.771 67.544 68.868 -0.921 0.000 0.879 35 T HN 0.063 nan 8.240 nan 0.000 0.459 36 V N 2.225 121.908 119.914 -0.385 0.000 2.490 36 V HA -0.045 4.081 4.120 0.009 0.000 0.250 36 V C 3.254 179.273 176.094 -0.126 0.000 1.061 36 V CA 1.604 63.783 62.300 -0.201 0.000 1.064 36 V CB -1.411 30.323 31.823 -0.149 0.000 0.670 36 V HN 0.716 nan 8.190 nan 0.000 0.461 37 A N -1.014 121.725 122.820 -0.135 0.000 1.933 37 A HA -0.282 4.044 4.320 0.009 0.000 0.218 37 A C 2.251 179.777 177.584 -0.097 0.000 1.175 37 A CA 2.056 54.031 52.037 -0.102 0.000 0.628 37 A CB -0.378 18.567 19.000 -0.092 0.000 0.814 37 A HN 0.596 nan 8.150 nan 0.000 0.444 38 Q N -2.078 117.676 119.800 -0.075 0.000 2.089 38 Q HA -0.062 4.283 4.340 0.009 0.000 0.195 38 Q C 1.312 177.180 176.000 -0.220 0.000 0.963 38 Q CA 1.195 56.932 55.803 -0.110 0.000 0.834 38 Q CB -0.020 28.709 28.738 -0.015 0.000 0.906 38 Q HN 0.784 nan 8.270 nan 0.000 0.452 39 Y N -0.016 120.154 120.300 -0.218 0.000 2.462 39 Y HA 0.090 4.645 4.550 0.009 0.000 0.261 39 Y C 0.950 176.731 175.900 -0.199 0.000 1.146 39 Y CA -0.347 57.626 58.100 -0.211 0.000 1.283 39 Y CB 0.601 38.991 38.460 -0.117 0.000 1.090 39 Y HN 0.029 nan 8.280 nan 0.000 0.526 40 K N 0.298 120.669 120.400 -0.048 0.000 1.830 40 K HA -0.312 4.014 4.320 0.009 0.000 0.112 40 K C 0.414 177.030 176.600 0.027 0.000 1.153 40 K CA 2.172 58.434 56.287 -0.041 0.000 0.408 40 K CB -1.187 31.262 32.500 -0.085 0.000 0.588 40 K HN 0.167 nan 8.250 nan 0.000 0.935 41 D N -0.286 120.155 120.400 0.069 0.000 2.336 41 D HA 0.018 4.664 4.640 0.009 0.000 0.229 41 D C 1.177 177.574 176.300 0.160 0.000 1.061 41 D CA 0.395 54.428 54.000 0.055 0.000 0.875 41 D CB -0.112 40.721 40.800 0.056 0.000 0.904 41 D HN 0.325 nan 8.370 nan 0.000 0.525 42 H N -0.826 118.245 119.070 0.000 0.000 2.470 42 H HA -0.007 4.554 4.556 0.009 0.000 0.289 42 H C 0.160 175.488 175.328 -0.000 0.000 1.033 42 H CA 0.268 56.330 56.048 0.025 0.000 1.331 42 H CB -0.301 29.482 29.762 0.035 0.000 1.414 42 H HN 0.185 nan 8.280 nan 0.000 0.545 43 Y N 1.654 121.922 120.300 -0.052 0.000 2.335 43 Y HA 0.299 4.854 4.550 0.009 0.000 0.331 43 Y C -0.685 174.964 175.900 -0.418 0.000 1.094 43 Y CA -0.804 57.151 58.100 -0.241 0.000 1.253 43 Y CB 0.129 38.450 38.460 -0.232 0.000 1.203 43 Y HN 0.112 nan 8.280 nan 0.000 0.508 44 H N 4.833 123.387 119.070 -0.860 0.000 2.717 44 H HA 0.513 5.074 4.556 0.009 0.000 0.366 44 H C -1.219 173.633 175.328 -0.793 0.000 1.132 44 H CA -0.754 54.893 56.048 -0.668 0.000 1.180 44 H CB 1.574 31.195 29.762 -0.234 0.000 1.678 44 H HN 0.660 nan 8.280 nan 0.000 0.537 45 L N 3.252 124.173 121.223 -0.502 0.000 2.322 45 L HA 0.522 4.867 4.340 0.009 0.000 0.279 45 L C -0.523 176.224 176.870 -0.205 0.000 1.036 45 L CA -0.413 54.224 54.840 -0.337 0.000 0.807 45 L CB 1.088 42.987 42.059 -0.267 0.000 1.226 45 L HN 0.440 nan 8.230 nan 0.000 0.433 46 I N 1.285 121.764 120.570 -0.151 0.000 2.608 46 I HA 0.817 4.992 4.170 0.009 0.000 0.295 46 I C 0.152 176.201 176.117 -0.113 0.000 1.049 46 I CA -0.341 60.877 61.300 -0.137 0.000 1.063 46 I CB 2.162 40.140 38.000 -0.037 0.000 1.248 46 I HN 0.660 nan 8.210 nan 0.000 0.424 47 G N 4.611 113.344 108.800 -0.111 0.000 2.576 47 G HA2 0.478 4.443 3.960 0.009 0.000 0.290 47 G HA3 0.478 4.443 3.960 0.009 0.000 0.290 47 G C -3.263 171.616 174.900 -0.035 0.000 1.442 47 G CA -0.911 44.146 45.100 -0.072 0.000 0.792 47 G HN 0.268 nan 8.290 nan 0.000 0.491 48 P HA 0.229 nan 4.420 nan 0.000 0.271 48 P C -0.153 177.117 177.300 -0.050 0.000 1.226 48 P CA -0.238 62.868 63.100 0.011 0.000 0.765 48 P CB 1.500 33.208 31.700 0.013 0.000 0.835 49 L N 4.212 125.399 121.223 -0.060 0.000 2.418 49 L HA 0.195 4.541 4.340 0.009 0.000 0.274 49 L C 0.332 177.136 176.870 -0.110 0.000 1.135 49 L CA 0.176 54.933 54.840 -0.139 0.000 0.870 49 L CB -0.514 41.419 42.059 -0.210 0.000 1.154 49 L HN 0.288 nan 8.230 nan 0.000 0.462 50 N N 4.262 122.913 118.700 -0.081 0.000 2.420 50 N HA 0.116 4.862 4.740 0.009 0.000 0.249 50 N C 0.451 175.977 175.510 0.026 0.000 1.033 50 N CA 0.015 53.053 53.050 -0.020 0.000 0.944 50 N CB 0.964 39.455 38.487 0.008 0.000 1.113 50 N HN 0.657 nan 8.380 nan 0.000 0.502 51 K N 2.088 122.491 120.400 0.005 0.000 2.439 51 K HA 0.021 4.347 4.320 0.009 0.000 0.197 51 K C 1.338 178.053 176.600 0.193 0.000 1.041 51 K CA 0.783 57.116 56.287 0.077 0.000 0.970 51 K CB 0.245 32.756 32.500 0.018 0.000 0.773 51 K HN 0.573 nan 8.250 nan 0.000 0.479 52 A N 0.595 123.486 122.820 0.119 0.000 2.021 52 A HA -0.076 4.250 4.320 0.009 0.000 0.216 52 A C 2.022 179.654 177.584 0.080 0.000 1.163 52 A CA 1.692 53.779 52.037 0.082 0.000 0.676 52 A CB -0.137 18.885 19.000 0.037 0.000 0.818 52 A HN 0.383 nan 8.150 nan 0.000 0.453 53 T N -4.601 110.025 114.554 0.120 0.000 2.980 53 T HA -0.010 4.346 4.350 0.009 0.000 0.252 53 T C 1.699 176.437 174.700 0.063 0.000 0.962 53 T CA 0.677 62.815 62.100 0.063 0.000 0.932 53 T CB -0.853 68.039 68.868 0.040 0.000 1.188 53 T HN 0.588 nan 8.240 nan 0.000 0.500 54 Y N 1.960 122.244 120.300 -0.026 0.000 2.348 54 Y HA -0.056 4.500 4.550 0.009 0.000 0.285 54 Y C 2.213 178.105 175.900 -0.014 0.000 1.173 54 Y CA 1.275 59.353 58.100 -0.036 0.000 1.263 54 Y CB -0.703 37.727 38.460 -0.051 0.000 0.974 54 Y HN 0.221 nan 8.280 nan 0.000 0.547 55 Q N 0.350 119.763 119.800 -0.646 0.000 2.297 55 Q HA -0.087 4.259 4.340 0.009 0.000 0.204 55 Q C 0.938 176.799 176.000 -0.232 0.000 0.962 55 Q CA 0.899 56.355 55.803 -0.578 0.000 0.879 55 Q CB -0.112 28.294 28.738 -0.554 0.000 0.947 55 Q HN 0.605 nan 8.270 nan 0.000 0.462 56 N N 0.315 118.937 118.700 -0.130 0.000 2.412 56 N HA -0.024 4.721 4.740 0.009 0.000 0.184 56 N C 0.629 176.145 175.510 0.011 0.000 1.101 56 N CA 0.603 53.622 53.050 -0.051 0.000 0.881 56 N CB 0.458 38.927 38.487 -0.031 0.000 0.969 56 N HN 0.324 nan 8.380 nan 0.000 0.459 57 E N -0.570 119.654 120.200 0.040 0.000 2.571 57 E HA 0.182 4.537 4.350 0.009 0.000 0.222 57 E C -0.535 176.174 176.600 0.182 0.000 0.904 57 E CA 0.144 56.644 56.400 0.166 0.000 1.157 57 E CB 1.580 31.430 29.700 0.250 0.000 1.158 57 E HN -0.066 nan 8.360 nan 0.000 0.540 58 V N 2.229 122.182 119.914 0.065 0.000 2.444 58 V HA 0.167 4.292 4.120 0.009 0.000 0.294 58 V C -0.545 175.560 176.094 0.018 0.000 1.022 58 V CA -0.944 61.394 62.300 0.062 0.000 0.850 58 V CB 1.742 33.608 31.823 0.072 0.000 0.992 58 V HN -0.031 nan 8.190 nan 0.000 0.426 59 D N 4.654 125.066 120.400 0.020 0.000 2.441 59 D HA 0.188 4.833 4.640 0.009 0.000 0.243 59 D C 0.414 176.722 176.300 0.014 0.000 1.257 59 D CA -0.008 53.993 54.000 0.002 0.000 1.027 59 D CB 0.039 40.832 40.800 -0.011 0.000 1.084 59 D HN 0.457 nan 8.370 nan 0.000 0.514 60 I N 4.186 124.779 120.570 0.037 0.000 2.742 60 I HA -0.082 4.094 4.170 0.009 0.000 0.287 60 I C 0.498 176.676 176.117 0.101 0.000 1.186 60 I CA 0.305 61.659 61.300 0.090 0.000 1.417 60 I CB 0.213 38.281 38.000 0.112 0.000 1.377 60 I HN 0.194 nan 8.210 nan 0.000 0.556 61 L N 5.654 126.972 121.223 0.159 0.000 2.334 61 L HA 0.386 4.731 4.340 0.009 0.000 0.272 61 L C -0.203 176.851 176.870 0.307 0.000 1.020 61 L CA -0.845 54.116 54.840 0.202 0.000 0.812 61 L CB 1.677 43.863 42.059 0.213 0.000 1.264 61 L HN 0.474 nan 8.230 nan 0.000 0.439 62 D N 1.545 122.067 120.400 0.204 0.000 2.339 62 D HA 0.083 4.728 4.640 0.009 0.000 0.241 62 D C 0.649 177.057 176.300 0.181 0.000 1.183 62 D CA -0.346 53.728 54.000 0.123 0.000 0.859 62 D CB 0.661 41.467 40.800 0.010 0.000 1.067 62 D HN 0.424 nan 8.370 nan 0.000 0.484 63 W N 3.643 125.054 121.300 0.185 0.000 3.139 63 W HA 0.155 4.821 4.660 0.009 0.000 0.260 63 W C 0.459 177.098 176.519 0.200 0.000 1.312 63 W CA -0.302 57.152 57.345 0.182 0.000 1.606 63 W CB -0.270 29.214 29.460 0.040 0.000 1.118 63 W HN 0.300 nan 8.180 nan 0.000 0.675 64 K N 1.618 121.828 120.400 -0.317 0.000 2.262 64 K HA 0.023 4.348 4.320 0.009 0.000 0.200 64 K C 0.774 177.341 176.600 -0.056 0.000 1.049 64 K CA 0.455 56.557 56.287 -0.308 0.000 0.979 64 K CB -0.049 32.096 32.500 -0.591 0.000 0.773 64 K HN -0.068 nan 8.250 nan 0.000 0.474 65 K N 2.035 122.423 120.400 -0.020 0.000 2.491 65 K HA -0.030 4.295 4.320 0.009 0.000 0.279 65 K C -2.161 174.497 176.600 0.097 0.000 1.026 65 K CA -0.841 55.464 56.287 0.029 0.000 1.070 65 K CB 0.106 32.625 32.500 0.031 0.000 0.887 65 K HN -0.160 nan 8.250 nan 0.000 0.481 66 P HA -0.206 nan 4.420 nan 0.000 0.219 66 P C 0.346 177.721 177.300 0.124 0.000 1.144 66 P CA 1.339 64.502 63.100 0.105 0.000 0.806 66 P CB 0.250 31.993 31.700 0.072 0.000 0.771 67 E N -0.892 119.368 120.200 0.101 0.000 2.216 67 E HA 0.004 4.360 4.350 0.009 0.000 0.192 67 E C 2.095 178.752 176.600 0.095 0.000 0.988 67 E CA 0.809 57.261 56.400 0.086 0.000 0.834 67 E CB -0.831 28.901 29.700 0.053 0.000 0.772 67 E HN 0.121 nan 8.360 nan 0.000 0.479 68 A N 0.223 123.123 122.820 0.133 0.000 2.032 68 A HA -0.126 4.200 4.320 0.009 0.000 0.221 68 A C 0.312 177.737 177.584 -0.265 0.000 1.165 68 A CA 1.180 53.238 52.037 0.035 0.000 0.645 68 A CB -0.305 18.821 19.000 0.209 0.000 0.807 68 A HN 0.200 nan 8.150 nan 0.000 0.453 69 F N -1.537 118.464 119.950 0.085 0.000 2.588 69 F HA 0.435 4.967 4.527 0.009 0.000 0.310 69 F C 0.760 176.594 175.800 0.057 0.000 1.082 69 F CA -0.358 57.687 58.000 0.075 0.000 0.929 69 F CB 1.656 40.676 39.000 0.033 0.000 1.254 69 F HN 0.051 nan 8.300 nan 0.000 0.455 70 S N 0.161 115.994 115.700 0.220 0.000 2.606 70 S HA 0.087 4.562 4.470 0.009 0.000 0.257 70 S C 0.547 175.238 174.600 0.151 0.000 1.327 70 S CA -0.350 57.944 58.200 0.156 0.000 0.984 70 S CB 0.754 64.036 63.200 0.137 0.000 0.941 70 S HN 0.638 nan 8.310 nan 0.000 0.576 71 D N 0.785 121.254 120.400 0.116 0.000 2.123 71 D HA -0.091 4.555 4.640 0.009 0.000 0.200 71 D C 2.160 178.520 176.300 0.100 0.000 0.976 71 D CA 1.722 55.781 54.000 0.098 0.000 0.831 71 D CB -0.460 40.390 40.800 0.082 0.000 0.974 71 D HN 0.916 nan 8.370 nan 0.000 0.469 72 E N 0.250 120.523 120.200 0.121 0.000 2.110 72 E HA -0.160 4.195 4.350 0.009 0.000 0.193 72 E C 1.520 178.226 176.600 0.177 0.000 0.988 72 E CA 0.868 57.367 56.400 0.165 0.000 0.804 72 E CB -0.195 29.641 29.700 0.226 0.000 0.745 72 E HN 0.134 nan 8.360 nan 0.000 0.458 73 M N 0.652 120.314 119.600 0.104 0.000 2.618 73 M HA 0.121 4.606 4.480 0.009 0.000 0.240 73 M C 1.585 177.905 176.300 0.034 0.000 1.123 73 M CA 0.348 55.690 55.300 0.070 0.000 1.060 73 M CB -0.347 32.332 32.600 0.132 0.000 1.535 73 M HN 0.096 nan 8.290 nan 0.000 0.507 74 R N 0.748 121.239 120.500 -0.015 0.000 2.134 74 R HA -0.185 4.160 4.340 0.009 0.000 0.248 74 R C -0.617 175.418 176.300 -0.442 0.000 1.143 74 R CA 1.782 57.740 56.100 -0.236 0.000 0.957 74 R CB -2.348 27.890 30.300 -0.102 0.000 0.867 74 R HN 0.282 nan 8.270 nan 0.000 0.441 75 P HA -0.110 nan 4.420 nan 0.000 0.216 75 P C 1.645 178.826 177.300 -0.199 0.000 1.150 75 P CA 1.031 64.069 63.100 -0.105 0.000 0.843 75 P CB -0.120 31.577 31.700 -0.004 0.000 0.787 76 V N -0.208 119.578 119.914 -0.213 0.000 2.332 76 V HA -0.287 3.838 4.120 0.009 0.000 0.248 76 V C 2.700 178.547 176.094 -0.411 0.000 1.055 76 V CA 1.941 64.113 62.300 -0.214 0.000 1.038 76 V CB -1.257 30.544 31.823 -0.036 0.000 0.651 76 V HN 0.199 nan 8.190 nan 0.000 0.450 77 Q N -0.481 118.827 119.800 -0.820 0.000 2.050 77 Q HA -0.244 4.101 4.340 0.009 0.000 0.202 77 Q C 2.225 178.023 176.000 -0.337 0.000 0.980 77 Q CA 2.244 57.487 55.803 -0.933 0.000 0.840 77 Q CB -0.149 27.831 28.738 -1.265 0.000 0.898 77 Q HN 0.828 nan 8.270 nan 0.000 0.424 78 H N -0.761 118.212 119.070 -0.161 0.000 2.423 78 H HA -0.033 4.528 4.556 0.009 0.000 0.297 78 H C 2.013 177.325 175.328 -0.026 0.000 1.075 78 H CA 0.689 56.712 56.048 -0.043 0.000 1.342 78 H CB 0.023 29.759 29.762 -0.044 0.000 1.395 78 H HN 0.393 nan 8.280 nan 0.000 0.530 79 A N 1.186 124.005 122.820 -0.002 0.000 1.883 79 A HA -0.160 4.166 4.320 0.009 0.000 0.217 79 A C 2.307 179.901 177.584 0.016 0.000 1.186 79 A CA 1.352 53.359 52.037 -0.050 0.000 0.624 79 A CB -0.802 18.052 19.000 -0.243 0.000 0.822 79 A HN 0.300 nan 8.150 nan 0.000 0.444 80 L N -0.844 120.364 121.223 -0.025 0.000 2.017 80 L HA -0.270 4.075 4.340 0.009 0.000 0.208 80 L C 2.956 179.848 176.870 0.036 0.000 1.073 80 L CA 1.705 56.452 54.840 -0.155 0.000 0.745 80 L CB -0.626 41.082 42.059 -0.586 0.000 0.894 80 L HN 0.487 nan 8.230 nan 0.000 0.432 81 Q N -0.571 119.347 119.800 0.197 0.000 2.047 81 Q HA -0.281 4.064 4.340 0.009 0.000 0.211 81 Q C 2.142 178.296 176.000 0.257 0.000 1.005 81 Q CA 2.587 58.623 55.803 0.388 0.000 0.866 81 Q CB -0.565 28.382 28.738 0.348 0.000 0.938 81 Q HN 0.531 nan 8.270 nan 0.000 0.414 82 T N 1.219 115.881 114.554 0.180 0.000 2.665 82 T HA -0.196 4.159 4.350 0.009 0.000 0.268 82 T C 1.832 176.606 174.700 0.124 0.000 1.035 82 T CA 1.539 63.732 62.100 0.155 0.000 1.151 82 T CB -0.152 68.805 68.868 0.150 0.000 0.862 82 T HN 0.239 nan 8.240 nan 0.000 0.438 83 M N 0.812 120.450 119.600 0.064 0.000 2.159 83 M HA -0.082 4.403 4.480 0.009 0.000 0.263 83 M C 2.398 178.710 176.300 0.019 0.000 1.063 83 M CA 1.503 56.753 55.300 -0.083 0.000 1.110 83 M CB -0.912 31.657 32.600 -0.053 0.000 1.374 83 M HN 0.369 nan 8.290 nan 0.000 0.411 84 E N 0.492 120.796 120.200 0.173 0.000 2.072 84 E HA -0.110 4.245 4.350 0.009 0.000 0.191 84 E C 1.898 178.579 176.600 0.135 0.000 0.985 84 E CA 1.562 58.062 56.400 0.168 0.000 0.801 84 E CB 0.197 30.081 29.700 0.306 0.000 0.750 84 E HN 0.344 nan 8.360 nan 0.000 0.452 85 S N 1.015 116.807 115.700 0.154 0.000 2.389 85 S HA -0.225 4.250 4.470 0.009 0.000 0.229 85 S C 1.756 176.431 174.600 0.124 0.000 1.048 85 S CA 1.629 59.911 58.200 0.137 0.000 1.117 85 S CB -0.444 62.842 63.200 0.144 0.000 1.020 85 S HN 0.334 nan 8.310 nan 0.000 0.430 86 R N 1.082 121.664 120.500 0.135 0.000 2.357 86 R HA 0.066 4.411 4.340 0.009 0.000 0.202 86 R C 1.412 177.777 176.300 0.108 0.000 1.047 86 R CA 0.747 56.959 56.100 0.187 0.000 1.034 86 R CB -1.016 29.495 30.300 0.352 0.000 0.875 86 R HN 0.630 nan 8.270 nan 0.000 0.473 87 G N 0.585 109.380 108.800 -0.008 0.000 2.165 87 G HA2 -0.225 3.740 3.960 0.009 0.000 0.226 87 G HA3 -0.225 3.740 3.960 0.009 0.000 0.226 87 G C -0.126 174.534 174.900 -0.400 0.000 1.035 87 G CA -0.027 44.968 45.100 -0.174 0.000 0.744 87 G HN 0.144 nan 8.290 nan 0.000 0.501 88 V N 2.957 122.696 119.914 -0.292 0.000 2.320 88 V HA 0.396 4.521 4.120 0.009 0.000 0.265 88 V C 0.326 176.373 176.094 -0.078 0.000 1.048 88 V CA -1.138 61.026 62.300 -0.227 0.000 0.865 88 V CB 0.622 32.267 31.823 -0.296 0.000 1.043 88 V HN 0.355 nan 8.190 nan 0.000 0.474 89 H N 5.745 124.835 119.070 0.034 0.000 2.548 89 H HA 0.652 5.213 4.556 0.009 0.000 0.331 89 H C -0.243 175.079 175.328 -0.010 0.000 1.093 89 H CA -0.457 55.525 56.048 -0.109 0.000 1.367 89 H CB 1.273 30.990 29.762 -0.075 0.000 1.455 89 H HN 0.636 nan 8.280 nan 0.000 0.519 90 F N -1.238 118.748 119.950 0.060 0.000 2.711 90 F HA 0.541 5.073 4.527 0.009 0.000 0.313 90 F C -1.386 174.344 175.800 -0.116 0.000 1.141 90 F CA -1.337 56.580 58.000 -0.138 0.000 0.941 90 F CB 0.550 39.295 39.000 -0.424 0.000 1.349 90 F HN 0.090 nan 8.300 nan 0.000 0.464 91 V N 2.531 122.520 119.914 0.125 0.000 2.313 91 V HA 0.256 4.381 4.120 0.009 0.000 0.278 91 V C -0.850 175.349 176.094 0.176 0.000 1.017 91 V CA -0.608 61.777 62.300 0.142 0.000 0.823 91 V CB 0.541 32.385 31.823 0.034 0.000 1.010 91 V HN 0.744 nan 8.190 nan 0.000 0.443 92 Y N 3.830 124.233 120.300 0.171 0.000 2.314 92 Y HA 0.731 5.287 4.550 0.009 0.000 0.334 92 Y C 0.723 176.690 175.900 0.111 0.000 1.266 92 Y CA 0.924 59.073 58.100 0.080 0.000 1.391 92 Y CB 1.500 40.068 38.460 0.179 0.000 1.306 92 Y HN 0.782 nan 8.280 nan 0.000 0.558 93 G N 3.479 112.014 108.800 -0.442 0.000 2.324 93 G HA2 0.230 4.195 3.960 0.009 0.000 0.293 93 G HA3 0.230 4.195 3.960 0.009 0.000 0.293 93 G C -1.842 172.860 174.900 -0.331 0.000 1.297 93 G CA -1.289 43.657 45.100 -0.256 0.000 0.853 93 G HN 0.633 nan 8.290 nan 0.000 0.535 94 R N -0.792 119.614 120.500 -0.158 0.000 2.368 94 R HA 0.393 4.738 4.340 0.009 0.000 0.302 94 R C -0.971 175.350 176.300 0.036 0.000 1.002 94 R CA -0.719 55.322 56.100 -0.099 0.000 0.929 94 R CB 1.506 31.758 30.300 -0.081 0.000 1.073 94 R HN 0.522 nan 8.270 nan 0.000 0.464 95 W N 6.147 127.348 121.300 -0.165 0.000 2.358 95 W HA 0.177 4.842 4.660 0.009 0.000 0.307 95 W C -0.673 175.777 176.519 -0.116 0.000 1.203 95 W CA -1.078 56.186 57.345 -0.134 0.000 1.279 95 W CB 0.314 29.679 29.460 -0.159 0.000 1.264 95 W HN 0.506 nan 8.180 nan 0.000 0.474 96 L N 9.446 130.753 121.223 0.141 0.000 2.436 96 L HA 0.116 4.461 4.340 0.009 0.000 0.244 96 L C -0.087 176.632 176.870 -0.252 0.000 1.396 96 L CA 0.267 55.072 54.840 -0.058 0.000 1.217 96 L CB -1.261 40.802 42.059 0.006 0.000 1.420 96 L HN 0.227 nan 8.230 nan 0.000 0.434 97 I N -1.987 118.323 120.570 -0.432 0.000 3.002 97 I HA 0.316 4.492 4.170 0.009 0.000 0.310 97 I C 0.256 176.168 176.117 -0.341 0.000 1.087 97 I CA -1.058 59.949 61.300 -0.489 0.000 1.017 97 I CB 1.637 39.129 38.000 -0.847 0.000 1.226 97 I HN 0.088 nan 8.210 nan 0.000 0.443 98 E N 1.787 121.819 120.200 -0.281 0.000 2.652 98 E HA 0.179 4.534 4.350 0.009 0.000 0.255 98 E C 0.999 177.460 176.600 -0.232 0.000 0.952 98 E CA 1.379 57.652 56.400 -0.211 0.000 0.947 98 E CB 0.134 29.730 29.700 -0.174 0.000 0.912 98 E HN 0.894 nan 8.360 nan 0.000 0.489 99 G N 3.377 112.067 108.800 -0.183 0.000 2.313 99 G HA2 -0.316 3.649 3.960 0.009 0.000 0.215 99 G HA3 -0.316 3.649 3.960 0.009 0.000 0.215 99 G C 0.536 175.344 174.900 -0.154 0.000 1.023 99 G CA 0.032 45.027 45.100 -0.174 0.000 0.626 99 G HN 1.636 nan 8.290 nan 0.000 0.503 100 A N 0.751 123.465 122.820 -0.178 0.000 2.103 100 A HA 0.141 4.466 4.320 0.009 0.000 0.269 100 A C -0.700 176.825 177.584 -0.099 0.000 1.346 100 A CA 1.484 53.439 52.037 -0.136 0.000 0.755 100 A CB -1.204 17.729 19.000 -0.110 0.000 1.146 100 A HN 1.198 nan 8.150 nan 0.000 0.330 101 P HA 0.267 nan 4.420 nan 0.000 0.274 101 P C -0.098 177.137 177.300 -0.107 0.000 1.231 101 P CA -0.136 62.949 63.100 -0.025 0.000 0.790 101 P CB 0.782 32.553 31.700 0.117 0.000 0.951 102 K N 0.685 120.937 120.400 -0.247 0.000 2.185 102 K HA 0.464 4.789 4.320 0.009 0.000 0.271 102 K C -0.516 175.880 176.600 -0.340 0.000 1.013 102 K CA -0.609 55.455 56.287 -0.372 0.000 0.943 102 K CB 0.820 33.023 32.500 -0.496 0.000 0.998 102 K HN 0.214 nan 8.250 nan 0.000 0.468 103 V N 4.251 123.939 119.914 -0.377 0.000 2.760 103 V HA 0.388 4.513 4.120 0.009 0.000 0.309 103 V C -0.916 174.989 176.094 -0.315 0.000 1.077 103 V CA -0.786 61.340 62.300 -0.291 0.000 0.910 103 V CB 1.913 33.588 31.823 -0.246 0.000 1.008 103 V HN 0.587 nan 8.190 nan 0.000 0.424 104 I N 6.020 126.407 120.570 -0.305 0.000 2.382 104 I HA 0.479 4.654 4.170 0.009 0.000 0.286 104 I C -0.870 174.903 176.117 -0.572 0.000 1.002 104 I CA -0.375 60.632 61.300 -0.488 0.000 1.135 104 I CB 1.462 39.037 38.000 -0.709 0.000 1.288 104 I HN 0.312 nan 8.210 nan 0.000 0.448 105 L N 6.912 127.834 121.223 -0.502 0.000 2.324 105 L HA 0.456 4.801 4.340 0.009 0.000 0.274 105 L C -0.727 175.946 176.870 -0.328 0.000 1.012 105 L CA -0.473 54.153 54.840 -0.357 0.000 0.859 105 L CB 0.521 42.440 42.059 -0.234 0.000 1.224 105 L HN 0.380 nan 8.230 nan 0.000 0.429 106 F N 1.220 121.105 119.950 -0.107 0.000 2.495 106 F HA 0.065 4.597 4.527 0.009 0.000 0.365 106 F C 1.112 176.900 175.800 -0.020 0.000 1.090 106 F CA -0.193 57.782 58.000 -0.040 0.000 1.235 106 F CB 0.332 39.285 39.000 -0.079 0.000 1.119 106 F HN 0.400 nan 8.300 nan 0.000 0.562 107 D N 4.410 124.923 120.400 0.188 0.000 2.342 107 D HA 0.058 4.703 4.640 0.009 0.000 0.260 107 D C 1.040 177.420 176.300 0.133 0.000 1.278 107 D CA 0.296 54.356 54.000 0.101 0.000 0.910 107 D CB 0.543 41.398 40.800 0.091 0.000 1.079 107 D HN 0.537 nan 8.370 nan 0.000 0.496 108 L N 2.746 124.036 121.223 0.112 0.000 2.362 108 L HA -0.106 4.240 4.340 0.009 0.000 0.219 108 L C 1.415 178.359 176.870 0.122 0.000 1.134 108 L CA 0.573 55.491 54.840 0.131 0.000 0.807 108 L CB 0.004 42.136 42.059 0.122 0.000 0.927 108 L HN 0.341 nan 8.230 nan 0.000 0.447 109 D N -0.600 119.858 120.400 0.097 0.000 2.183 109 D HA -0.123 4.522 4.640 0.009 0.000 0.203 109 D C 2.162 178.522 176.300 0.100 0.000 0.969 109 D CA 1.423 55.478 54.000 0.091 0.000 0.842 109 D CB 0.108 40.951 40.800 0.071 0.000 0.957 109 D HN 0.260 nan 8.370 nan 0.000 0.484 110 S N -0.283 115.481 115.700 0.106 0.000 2.720 110 S HA 0.066 4.541 4.470 0.009 0.000 0.222 110 S C 1.195 175.820 174.600 0.042 0.000 0.958 110 S CA 0.016 58.258 58.200 0.071 0.000 0.943 110 S CB 0.259 63.485 63.200 0.043 0.000 0.779 110 S HN 0.010 nan 8.310 nan 0.000 0.526 111 V N 0.032 120.004 119.914 0.097 0.000 3.363 111 V HA 0.316 4.441 4.120 0.009 0.000 0.270 111 V C 1.814 177.994 176.094 0.144 0.000 1.667 111 V CA 0.108 62.475 62.300 0.112 0.000 1.034 111 V CB -0.020 31.900 31.823 0.163 0.000 0.857 111 V HN 0.453 nan 8.190 nan 0.000 0.410 112 R N 1.249 121.830 120.500 0.134 0.000 2.226 112 R HA -0.169 4.176 4.340 0.009 0.000 0.246 112 R C 1.977 178.315 176.300 0.064 0.000 1.161 112 R CA 2.047 58.216 56.100 0.114 0.000 0.997 112 R CB -0.375 29.984 30.300 0.099 0.000 0.870 112 R HN 0.563 nan 8.270 nan 0.000 0.465 113 G N -0.114 108.730 108.800 0.073 0.000 2.484 113 G HA2 -0.272 3.694 3.960 0.009 0.000 0.215 113 G HA3 -0.272 3.694 3.960 0.009 0.000 0.215 113 G C 0.482 175.285 174.900 -0.161 0.000 1.219 113 G CA 0.617 45.704 45.100 -0.020 0.000 0.791 113 G HN 0.407 nan 8.290 nan 0.000 0.550 114 Y N 1.969 121.968 120.300 -0.502 0.000 2.766 114 Y HA 0.056 4.611 4.550 0.009 0.000 0.341 114 Y C 2.646 178.067 175.900 -0.800 0.000 1.217 114 Y CA 0.074 57.600 58.100 -0.957 0.000 1.289 114 Y CB -1.039 36.258 38.460 -1.938 0.000 1.060 114 Y HN 0.246 nan 8.280 nan 0.000 0.496 115 S N 0.792 116.375 115.700 -0.195 0.000 2.363 115 S HA -0.239 4.237 4.470 0.009 0.000 0.218 115 S C 2.160 176.757 174.600 -0.005 0.000 1.035 115 S CA 1.860 60.058 58.200 -0.003 0.000 1.043 115 S CB -0.191 63.034 63.200 0.043 0.000 0.986 115 S HN 0.530 nan 8.310 nan 0.000 0.423 116 N N 1.429 120.097 118.700 -0.053 0.000 2.043 116 N HA -0.132 4.613 4.740 0.009 0.000 0.193 116 N C 1.816 177.295 175.510 -0.052 0.000 1.037 116 N CA 1.574 54.600 53.050 -0.040 0.000 0.851 116 N CB -0.878 37.574 38.487 -0.059 0.000 1.027 116 N HN 0.707 nan 8.380 nan 0.000 0.422 117 E N -0.798 119.312 120.200 -0.151 0.000 2.219 117 E HA -0.204 4.151 4.350 0.009 0.000 0.198 117 E C 1.135 177.712 176.600 -0.039 0.000 0.998 117 E CA 1.009 57.318 56.400 -0.152 0.000 0.818 117 E CB -0.007 29.514 29.700 -0.298 0.000 0.741 117 E HN 0.412 nan 8.360 nan 0.000 0.477 118 W N 0.531 121.713 121.300 -0.198 0.000 2.580 118 W HA 0.128 4.793 4.660 0.009 0.000 0.287 118 W C 2.141 178.564 176.519 -0.161 0.000 1.175 118 W CA 0.246 57.317 57.345 -0.457 0.000 1.409 118 W CB -0.628 28.411 29.460 -0.701 0.000 1.101 118 W HN 0.008 nan 8.180 nan 0.000 0.558 119 K N -0.045 120.481 120.400 0.209 0.000 2.089 119 K HA -0.174 4.152 4.320 0.009 0.000 0.210 119 K C 2.233 178.955 176.600 0.204 0.000 1.048 119 K CA 1.864 58.272 56.287 0.202 0.000 0.926 119 K CB -0.828 31.750 32.500 0.131 0.000 0.714 119 K HN 0.148 nan 8.250 nan 0.000 0.448 120 G N 1.178 110.071 108.800 0.156 0.000 2.434 120 G HA2 -0.303 3.663 3.960 0.009 0.000 0.214 120 G HA3 -0.303 3.663 3.960 0.009 0.000 0.214 120 G C 1.222 176.260 174.900 0.230 0.000 1.202 120 G CA 0.901 46.110 45.100 0.181 0.000 0.788 120 G HN 0.340 nan 8.290 nan 0.000 0.539 121 D N 0.089 120.596 120.400 0.178 0.000 2.228 121 D HA -0.098 4.547 4.640 0.009 0.000 0.203 121 D C 2.283 178.732 176.300 0.247 0.000 0.988 121 D CA 0.493 54.603 54.000 0.185 0.000 0.864 121 D CB -0.015 40.883 40.800 0.163 0.000 0.928 121 D HN 0.260 nan 8.370 nan 0.000 0.469 122 L N 0.336 121.754 121.223 0.326 0.000 2.023 122 L HA -0.119 4.227 4.340 0.009 0.000 0.205 122 L C 2.416 179.417 176.870 0.217 0.000 1.073 122 L CA 1.050 56.072 54.840 0.303 0.000 0.745 122 L CB -0.753 41.519 42.059 0.355 0.000 0.900 122 L HN 0.363 nan 8.230 nan 0.000 0.435 123 W N 1.041 122.394 121.300 0.087 0.000 2.350 123 W HA -0.196 4.469 4.660 0.008 0.000 0.289 123 W C 1.789 178.331 176.519 0.038 0.000 1.215 123 W CA 1.513 58.891 57.345 0.055 0.000 1.236 123 W CB -0.138 29.354 29.460 0.053 0.000 1.130 123 W HN 0.361 nan 8.180 nan 0.000 0.541 124 S N 0.074 115.755 115.700 -0.031 0.000 2.622 124 S HA 0.220 4.695 4.470 0.009 0.000 0.236 124 S C 0.930 175.459 174.600 -0.117 0.000 0.956 124 S CA -0.111 58.002 58.200 -0.145 0.000 0.971 124 S CB -0.445 62.771 63.200 0.027 0.000 0.782 124 S HN 0.342 nan 8.310 nan 0.000 0.468 125 L N -0.777 120.375 121.223 -0.118 0.000 3.467 125 L HA 0.328 4.673 4.340 0.009 0.000 0.315 125 L C 0.357 177.143 176.870 -0.139 0.000 1.184 125 L CA -0.027 54.750 54.840 -0.106 0.000 1.124 125 L CB 0.999 43.029 42.059 -0.048 0.000 1.585 125 L HN 0.252 nan 8.230 nan 0.000 0.617 126 V N -1.540 118.280 119.914 -0.157 0.000 3.509 126 V HA 0.324 4.450 4.120 0.009 0.000 0.286 126 V C 1.260 177.244 176.094 -0.184 0.000 1.618 126 V CA 0.275 62.482 62.300 -0.155 0.000 1.088 126 V CB 0.815 32.570 31.823 -0.112 0.000 0.909 126 V HN 0.325 nan 8.190 nan 0.000 0.429 127 G N 1.901 110.507 108.800 -0.324 0.000 2.225 127 G HA2 -0.284 3.682 3.960 0.009 0.000 0.267 127 G HA3 -0.284 3.682 3.960 0.009 0.000 0.267 127 G C 0.060 175.028 174.900 0.114 0.000 1.024 127 G CA 0.603 45.372 45.100 -0.552 0.000 0.784 127 G HN 0.572 nan 8.290 nan 0.000 0.507 128 I N 1.608 122.324 120.570 0.244 0.000 2.308 128 I HA 0.203 4.378 4.170 0.009 0.000 0.293 128 I C -1.581 174.810 176.117 0.456 0.000 1.078 128 I CA -2.096 59.377 61.300 0.288 0.000 1.292 128 I CB 0.946 39.028 38.000 0.138 0.000 1.423 128 I HN -0.075 nan 8.210 nan 0.000 0.493 129 P HA 0.078 nan 4.420 nan 0.000 0.271 129 P C -0.884 176.488 177.300 0.120 0.000 1.233 129 P CA -0.223 62.975 63.100 0.164 0.000 0.789 129 P CB 0.606 32.396 31.700 0.149 0.000 0.951 130 S N -0.590 115.105 115.700 -0.008 0.000 2.417 130 S HA 0.369 4.844 4.470 0.009 0.000 0.189 130 S C -2.884 171.663 174.600 -0.089 0.000 1.005 130 S CA -1.194 57.010 58.200 0.007 0.000 1.116 130 S CB -0.344 62.915 63.200 0.098 0.000 1.343 130 S HN 0.161 nan 8.310 nan 0.000 0.406 131 P HA 0.130 nan 4.420 nan 0.000 0.270 131 P C 0.834 178.059 177.300 -0.126 0.000 1.227 131 P CA -0.303 62.681 63.100 -0.194 0.000 0.788 131 P CB 0.517 32.042 31.700 -0.292 0.000 0.926 132 E N 0.512 120.642 120.200 -0.117 0.000 2.447 132 E HA -0.076 4.279 4.350 0.009 0.000 0.195 132 E C 0.626 177.109 176.600 -0.196 0.000 1.028 132 E CA 0.507 56.850 56.400 -0.096 0.000 0.876 132 E CB -0.578 29.091 29.700 -0.051 0.000 0.885 132 E HN 0.526 nan 8.360 nan 0.000 0.500 133 N N 1.103 119.654 118.700 -0.249 0.000 2.467 133 N HA -0.103 4.642 4.740 0.009 0.000 0.184 133 N C 0.256 175.348 175.510 -0.696 0.000 1.106 133 N CA 0.363 53.165 53.050 -0.415 0.000 0.892 133 N CB 0.209 38.566 38.487 -0.218 0.000 0.969 133 N HN -0.076 nan 8.380 nan 0.000 0.454 134 D N -0.092 120.060 120.400 -0.412 0.000 2.456 134 D HA 0.082 4.727 4.640 0.009 0.000 0.219 134 D C -0.087 176.114 176.300 -0.165 0.000 1.126 134 D CA -0.694 53.169 54.000 -0.227 0.000 0.890 134 D CB 0.187 41.032 40.800 0.075 0.000 1.025 134 D HN 0.050 nan 8.370 nan 0.000 0.511 135 F N 2.012 122.049 119.950 0.144 0.000 2.146 135 F HA -0.048 4.485 4.527 0.009 0.000 0.298 135 F C 2.165 178.052 175.800 0.144 0.000 1.096 135 F CA 0.579 58.655 58.000 0.127 0.000 1.275 135 F CB -0.414 38.646 39.000 0.100 0.000 1.008 135 F HN 0.319 nan 8.300 nan 0.000 0.480 136 E N 0.068 120.468 120.200 0.334 0.000 2.085 136 E HA -0.199 4.156 4.350 0.009 0.000 0.194 136 E C 2.364 179.111 176.600 0.244 0.000 0.994 136 E CA 2.294 58.843 56.400 0.247 0.000 0.801 136 E CB -0.741 29.106 29.700 0.245 0.000 0.743 136 E HN 0.484 nan 8.360 nan 0.000 0.453 137 T N -1.176 113.574 114.554 0.326 0.000 2.942 137 T HA -0.048 4.307 4.350 0.009 0.000 0.265 137 T C 1.665 176.527 174.700 0.270 0.000 1.062 137 T CA 0.855 63.170 62.100 0.358 0.000 1.139 137 T CB -0.170 68.941 68.868 0.406 0.000 0.883 137 T HN -0.037 nan 8.240 nan 0.000 0.468 138 N N 2.068 120.909 118.700 0.235 0.000 2.043 138 N HA -0.118 4.627 4.740 0.009 0.000 0.193 138 N C 1.593 177.244 175.510 0.234 0.000 1.037 138 N CA 1.726 54.910 53.050 0.224 0.000 0.851 138 N CB -0.530 38.084 38.487 0.213 0.000 1.027 138 N HN 0.469 nan 8.380 nan 0.000 0.422 139 D N 0.733 121.265 120.400 0.219 0.000 2.144 139 D HA -0.061 4.584 4.640 0.009 0.000 0.199 139 D C 1.701 178.098 176.300 0.161 0.000 0.984 139 D CA 0.931 55.039 54.000 0.181 0.000 0.834 139 D CB -0.170 40.721 40.800 0.151 0.000 0.955 139 D HN 0.257 nan 8.370 nan 0.000 0.465 140 A N 0.098 123.014 122.820 0.161 0.000 2.016 140 A HA -0.010 4.315 4.320 0.009 0.000 0.217 140 A C 2.298 179.980 177.584 0.163 0.000 1.162 140 A CA 0.400 52.519 52.037 0.135 0.000 0.662 140 A CB -0.356 18.722 19.000 0.131 0.000 0.812 140 A HN 0.149 nan 8.150 nan 0.000 0.450 141 I N -0.464 120.237 120.570 0.218 0.000 2.233 141 I HA -0.191 3.985 4.170 0.009 0.000 0.243 141 I C 2.369 178.667 176.117 0.300 0.000 1.093 141 I CA 0.759 62.217 61.300 0.263 0.000 1.380 141 I CB -0.205 37.995 38.000 0.333 0.000 1.067 141 I HN 0.287 nan 8.210 nan 0.000 0.413 142 L N -0.069 121.345 121.223 0.319 0.000 1.971 142 L HA -0.274 4.071 4.340 0.009 0.000 0.215 142 L C 2.627 179.619 176.870 0.203 0.000 1.072 142 L CA 1.350 56.409 54.840 0.365 0.000 0.758 142 L CB -0.700 41.549 42.059 0.316 0.000 0.889 142 L HN 0.300 nan 8.230 nan 0.000 0.433 143 L N 0.327 121.635 121.223 0.142 0.000 2.043 143 L HA -0.145 4.200 4.340 0.009 0.000 0.212 143 L C 2.292 179.167 176.870 0.008 0.000 1.075 143 L CA 2.339 57.224 54.840 0.075 0.000 0.752 143 L CB -1.265 40.848 42.059 0.090 0.000 0.891 143 L HN 0.187 nan 8.230 nan 0.000 0.432 144 G N -1.811 106.990 108.800 0.002 0.000 2.421 144 G HA2 -0.329 3.636 3.960 0.009 0.000 0.216 144 G HA3 -0.329 3.636 3.960 0.009 0.000 0.216 144 G C 1.453 176.180 174.900 -0.289 0.000 1.171 144 G CA 1.052 46.084 45.100 -0.112 0.000 0.775 144 G HN 0.496 nan 8.290 nan 0.000 0.543 145 Y N 1.477 121.529 120.300 -0.412 0.000 2.224 145 Y HA -0.111 4.444 4.550 0.009 0.000 0.289 145 Y C 3.379 178.983 175.900 -0.493 0.000 1.146 145 Y CA 1.775 59.414 58.100 -0.769 0.000 1.182 145 Y CB -0.536 36.762 38.460 -1.936 0.000 0.983 145 Y HN 0.159 nan 8.280 nan 0.000 0.524 146 T N -0.793 113.623 114.554 -0.230 0.000 2.708 146 T HA -0.178 4.177 4.350 0.009 0.000 0.266 146 T C 2.078 176.588 174.700 -0.317 0.000 1.037 146 T CA 1.765 63.732 62.100 -0.221 0.000 1.146 146 T CB -0.807 67.819 68.868 -0.402 0.000 0.865 146 T HN 0.109 nan 8.240 nan 0.000 0.435 147 V N 1.680 121.447 119.914 -0.244 0.000 2.427 147 V HA -0.096 4.029 4.120 0.009 0.000 0.248 147 V C 2.896 179.028 176.094 0.064 0.000 1.051 147 V CA 1.456 63.716 62.300 -0.068 0.000 1.048 147 V CB -1.279 30.599 31.823 0.091 0.000 0.666 147 V HN 0.530 nan 8.190 nan 0.000 0.456 148 A N -0.151 122.669 122.820 -0.000 0.000 1.877 148 A HA -0.252 4.074 4.320 0.009 0.000 0.216 148 A C 2.002 179.618 177.584 0.053 0.000 1.186 148 A CA 1.758 53.784 52.037 -0.018 0.000 0.620 148 A CB -0.868 18.026 19.000 -0.177 0.000 0.822 148 A HN 0.657 nan 8.150 nan 0.000 0.443 149 W N 0.363 121.571 121.300 -0.154 0.000 2.289 149 W HA -0.304 4.361 4.660 0.009 0.000 0.331 149 W C 2.008 178.474 176.519 -0.087 0.000 1.283 149 W CA 1.962 59.242 57.345 -0.108 0.000 1.252 149 W CB -1.457 27.933 29.460 -0.117 0.000 1.153 149 W HN 0.440 nan 8.180 nan 0.000 0.467 150 F N 0.665 120.602 119.950 -0.022 0.000 2.154 150 F HA -0.250 4.282 4.527 0.009 0.000 0.301 150 F C 2.275 177.998 175.800 -0.130 0.000 1.087 150 F CA 2.445 60.347 58.000 -0.164 0.000 1.274 150 F CB -0.790 38.078 39.000 -0.220 0.000 1.009 150 F HN -0.131 nan 8.300 nan 0.000 0.485 151 L N -0.497 120.567 121.223 -0.264 0.000 2.131 151 L HA 0.025 4.370 4.340 0.009 0.000 0.206 151 L C 2.820 179.550 176.870 -0.233 0.000 1.087 151 L CA 0.944 55.558 54.840 -0.378 0.000 0.767 151 L CB -1.402 40.575 42.059 -0.136 0.000 0.917 151 L HN 0.296 nan 8.230 nan 0.000 0.441 152 G N -0.334 108.409 108.800 -0.094 0.000 2.480 152 G HA2 -0.263 3.702 3.960 0.009 0.000 0.216 152 G HA3 -0.263 3.702 3.960 0.009 0.000 0.216 152 G C 1.381 176.263 174.900 -0.031 0.000 1.200 152 G CA 0.489 45.566 45.100 -0.038 0.000 0.782 152 G HN 0.227 nan 8.290 nan 0.000 0.554 153 E N 0.282 120.465 120.200 -0.027 0.000 2.086 153 E HA -0.170 4.186 4.350 0.009 0.000 0.205 153 E C 2.875 179.414 176.600 -0.102 0.000 1.027 153 E CA 1.395 57.789 56.400 -0.009 0.000 0.830 153 E CB -0.895 28.776 29.700 -0.049 0.000 0.751 153 E HN 0.300 nan 8.360 nan 0.000 0.456 154 V N 1.476 121.177 119.914 -0.355 0.000 2.255 154 V HA -0.277 3.848 4.120 0.009 0.000 0.247 154 V C 2.479 178.498 176.094 -0.126 0.000 1.051 154 V CA 2.063 64.159 62.300 -0.341 0.000 1.018 154 V CB -0.982 30.471 31.823 -0.617 0.000 0.641 154 V HN 0.309 nan 8.190 nan 0.000 0.445 155 A N -1.248 121.521 122.820 -0.086 0.000 2.019 155 A HA -0.270 4.055 4.320 0.009 0.000 0.219 155 A C 2.190 179.813 177.584 0.065 0.000 1.164 155 A CA 1.961 54.005 52.037 0.012 0.000 0.644 155 A CB -0.871 18.144 19.000 0.024 0.000 0.805 155 A HN 0.782 nan 8.150 nan 0.000 0.449 156 H N -0.218 118.829 119.070 -0.038 0.000 2.261 156 H HA -0.039 4.522 4.556 0.009 0.000 0.301 156 H C 1.919 177.243 175.328 -0.007 0.000 1.067 156 H CA 1.761 57.799 56.048 -0.017 0.000 1.297 156 H CB -0.145 29.608 29.762 -0.014 0.000 1.377 156 H HN 0.404 nan 8.280 nan 0.000 0.492 157 L N 0.528 121.625 121.223 -0.211 0.000 2.093 157 L HA -0.089 4.256 4.340 0.009 0.000 0.208 157 L C 1.136 177.949 176.870 -0.095 0.000 1.085 157 L CA 0.576 55.279 54.840 -0.230 0.000 0.755 157 L CB -0.229 41.767 42.059 -0.105 0.000 0.904 157 L HN 0.327 nan 8.230 nan 0.000 0.435 158 D N -0.313 120.066 120.400 -0.033 0.000 2.302 158 D HA 0.111 4.757 4.640 0.009 0.000 0.248 158 D C 0.298 176.609 176.300 0.018 0.000 1.094 158 D CA 0.394 54.413 54.000 0.032 0.000 0.897 158 D CB 1.461 42.325 40.800 0.106 0.000 1.200 158 D HN 0.070 nan 8.370 nan 0.000 0.429 159 S N 1.629 117.330 115.700 0.002 0.000 3.088 159 S HA 0.023 4.499 4.470 0.009 0.000 0.249 159 S C 0.643 175.205 174.600 -0.062 0.000 0.877 159 S CA -0.540 57.646 58.200 -0.024 0.000 1.184 159 S CB 0.271 63.451 63.200 -0.033 0.000 1.170 159 S HN 0.566 nan 8.310 nan 0.000 0.603 160 Q N 0.867 120.601 119.800 -0.110 0.000 2.477 160 Q HA 0.254 4.599 4.340 0.009 0.000 0.252 160 Q C -0.646 175.197 176.000 -0.262 0.000 0.869 160 Q CA 0.127 55.782 55.803 -0.248 0.000 0.969 160 Q CB 0.466 28.945 28.738 -0.430 0.000 1.144 160 Q HN 0.768 nan 8.270 nan 0.000 0.577 161 H N 0.323 119.432 119.070 0.066 0.000 2.488 161 H HA 0.532 5.094 4.556 0.009 0.000 0.322 161 H C -0.652 174.765 175.328 0.148 0.000 1.078 161 H CA -0.199 55.923 56.048 0.123 0.000 1.260 161 H CB 1.675 31.518 29.762 0.135 0.000 1.425 161 H HN 0.297 nan 8.280 nan 0.000 0.471 162 A N 4.197 127.192 122.820 0.292 0.000 2.477 162 A HA 0.258 4.583 4.320 0.009 0.000 0.246 162 A C -0.039 177.777 177.584 0.387 0.000 1.078 162 A CA -0.170 52.046 52.037 0.298 0.000 0.770 162 A CB -0.184 19.001 19.000 0.308 0.000 1.011 162 A HN 0.751 nan 8.150 nan 0.000 0.494 163 I N 3.474 124.259 120.570 0.359 0.000 2.354 163 I HA 0.309 4.484 4.170 0.009 0.000 0.286 163 I C -0.096 176.222 176.117 0.335 0.000 1.007 163 I CA -0.623 60.899 61.300 0.370 0.000 1.167 163 I CB 1.518 39.708 38.000 0.316 0.000 1.320 163 I HN 0.451 nan 8.210 nan 0.000 0.458 164 V N 6.258 126.389 119.914 0.360 0.000 2.472 164 V HA 0.851 4.976 4.120 0.009 0.000 0.290 164 V C -0.098 176.200 176.094 0.339 0.000 1.037 164 V CA -0.101 62.373 62.300 0.290 0.000 0.908 164 V CB 1.539 33.497 31.823 0.226 0.000 0.985 164 V HN 0.801 nan 8.190 nan 0.000 0.454 165 A N 4.863 127.864 122.820 0.302 0.000 2.363 165 A HA 0.543 4.868 4.320 0.009 0.000 0.296 165 A C -0.765 176.969 177.584 0.251 0.000 1.237 165 A CA -0.508 51.697 52.037 0.280 0.000 0.773 165 A CB 0.254 19.454 19.000 0.332 0.000 1.153 165 A HN 1.143 nan 8.150 nan 0.000 0.473 166 H N 1.719 120.808 119.070 0.032 0.000 2.517 166 H HA 0.607 5.168 4.556 0.009 0.000 0.317 166 H C -1.345 173.933 175.328 -0.085 0.000 1.080 166 H CA -0.281 55.819 56.048 0.088 0.000 1.301 166 H CB 0.536 30.380 29.762 0.137 0.000 1.425 166 H HN 0.546 nan 8.280 nan 0.000 0.471 167 F N 3.162 123.356 119.950 0.407 0.000 2.482 167 F HA 0.248 4.780 4.527 0.009 0.000 0.331 167 F C -0.275 175.644 175.800 0.199 0.000 1.115 167 F CA -0.852 57.359 58.000 0.352 0.000 0.955 167 F CB 1.369 40.598 39.000 0.381 0.000 1.136 167 F HN 0.625 nan 8.300 nan 0.000 0.452 168 H N 1.439 120.711 119.070 0.336 0.000 2.511 168 H HA 0.497 5.058 4.556 0.009 0.000 0.328 168 H C -0.573 174.867 175.328 0.188 0.000 1.044 168 H CA -0.677 55.492 56.048 0.202 0.000 1.212 168 H CB 1.354 31.237 29.762 0.201 0.000 1.428 168 H HN 0.594 nan 8.280 nan 0.000 0.483 169 E N 1.206 121.521 120.200 0.192 0.000 8.389 169 E HA -0.210 4.145 4.350 0.009 0.000 0.467 169 E C 0.564 177.452 176.600 0.480 0.000 0.984 169 E CA 0.648 57.229 56.400 0.301 0.000 1.717 169 E CB -0.335 29.487 29.700 0.204 0.000 0.997 169 E HN 0.828 nan 8.360 nan 0.000 0.263 170 W N 3.919 125.481 121.300 0.437 0.000 2.335 170 W HA -0.186 4.480 4.660 0.010 0.000 0.311 170 W C 1.488 178.154 176.519 0.245 0.000 1.213 170 W CA 1.326 58.886 57.345 0.358 0.000 1.274 170 W CB -1.154 28.433 29.460 0.212 0.000 1.148 170 W HN 0.529 nan 8.180 nan 0.000 0.498 171 L N 1.787 122.708 121.223 -0.503 0.000 2.270 171 L HA -0.164 4.181 4.340 0.009 0.000 0.217 171 L C 2.320 179.172 176.870 -0.030 0.000 1.107 171 L CA 1.919 56.483 54.840 -0.460 0.000 0.772 171 L CB -0.973 40.700 42.059 -0.643 0.000 0.902 171 L HN 0.143 nan 8.230 nan 0.000 0.439 172 A N -0.923 121.973 122.820 0.127 0.000 2.911 172 A HA 0.564 4.889 4.320 0.009 0.000 0.304 172 A C 1.350 179.163 177.584 0.382 0.000 1.144 172 A CA 0.320 52.507 52.037 0.250 0.000 0.988 172 A CB -0.214 18.948 19.000 0.269 0.000 1.141 172 A HN 0.292 nan 8.150 nan 0.000 0.552 173 G N -1.466 107.479 108.800 0.242 0.000 2.759 173 G HA2 0.192 4.157 3.960 0.009 0.000 0.208 173 G HA3 0.192 4.157 3.960 0.009 0.000 0.208 173 G C 1.097 175.887 174.900 -0.182 0.000 1.076 173 G CA 0.859 45.995 45.100 0.061 0.000 0.789 173 G HN 0.216 nan 8.290 nan 0.000 0.546 174 V N 2.099 121.963 119.914 -0.083 0.000 2.546 174 V HA -0.236 3.889 4.120 0.009 0.000 0.254 174 V C 3.225 179.129 176.094 -0.316 0.000 1.076 174 V CA 2.062 64.261 62.300 -0.169 0.000 1.087 174 V CB -0.803 30.967 31.823 -0.087 0.000 0.674 174 V HN 0.425 nan 8.190 nan 0.000 0.470 175 A N -0.465 122.175 122.820 -0.301 0.000 2.019 175 A HA -0.144 4.181 4.320 0.009 0.000 0.219 175 A C 2.223 179.521 177.584 -0.477 0.000 1.164 175 A CA 1.616 53.440 52.037 -0.355 0.000 0.644 175 A CB -0.446 18.482 19.000 -0.121 0.000 0.805 175 A HN 0.530 nan 8.150 nan 0.000 0.449 176 L N -0.581 120.283 121.223 -0.597 0.000 2.046 176 L HA -0.106 4.239 4.340 0.009 0.000 0.208 176 L C -0.452 176.196 176.870 -0.370 0.000 1.077 176 L CA 1.468 55.968 54.840 -0.567 0.000 0.747 176 L CB -1.069 40.628 42.059 -0.603 0.000 0.896 176 L HN 0.241 nan 8.230 nan 0.000 0.432 177 P HA -0.175 nan 4.420 nan 0.000 0.215 177 P C 1.843 179.002 177.300 -0.236 0.000 1.157 177 P CA 1.430 64.374 63.100 -0.259 0.000 0.863 177 P CB 0.012 31.566 31.700 -0.243 0.000 0.787 178 L N -1.330 119.722 121.223 -0.285 0.000 2.046 178 L HA -0.198 4.147 4.340 0.009 0.000 0.208 178 L C 2.562 179.316 176.870 -0.193 0.000 1.077 178 L CA 1.500 56.184 54.840 -0.261 0.000 0.747 178 L CB -1.597 40.230 42.059 -0.387 0.000 0.896 178 L HN 0.050 nan 8.230 nan 0.000 0.432 179 C N -0.350 118.832 119.300 -0.197 0.000 2.411 179 C HA -0.159 4.307 4.460 0.009 0.000 0.279 179 C C 3.072 177.999 174.990 -0.106 0.000 1.288 179 C CA 0.859 59.799 59.018 -0.129 0.000 1.764 179 C CB -1.018 26.653 27.740 -0.115 0.000 1.974 179 C HN 0.450 nan 8.230 nan 0.000 0.498 180 R N 0.606 121.028 120.500 -0.130 0.000 2.075 180 R HA -0.061 4.284 4.340 0.009 0.000 0.226 180 R C 2.382 178.626 176.300 -0.094 0.000 1.114 180 R CA 0.890 56.926 56.100 -0.107 0.000 0.972 180 R CB -0.214 30.012 30.300 -0.123 0.000 0.869 180 R HN 0.255 nan 8.270 nan 0.000 0.437 181 K N 1.249 121.584 120.400 -0.108 0.000 2.002 181 K HA -0.120 4.205 4.320 0.009 0.000 0.209 181 K C 1.718 178.274 176.600 -0.073 0.000 1.048 181 K CA 1.604 57.836 56.287 -0.092 0.000 0.930 181 K CB -0.130 32.310 32.500 -0.100 0.000 0.714 181 K HN 0.168 nan 8.250 nan 0.000 0.438 182 R N 0.284 120.737 120.500 -0.078 0.000 2.328 182 R HA 0.055 4.400 4.340 0.009 0.000 0.200 182 R C 0.454 176.726 176.300 -0.047 0.000 0.983 182 R CA 0.077 56.139 56.100 -0.063 0.000 1.062 182 R CB -0.084 30.173 30.300 -0.073 0.000 0.956 182 R HN 0.108 nan 8.270 nan 0.000 0.479 183 R N 0.737 121.210 120.500 -0.045 0.000 3.913 183 R HA -0.174 4.172 4.340 0.009 0.000 0.308 183 R C -0.135 176.162 176.300 -0.006 0.000 1.225 183 R CA 0.494 56.579 56.100 -0.025 0.000 0.869 183 R CB -1.585 28.705 30.300 -0.017 0.000 1.266 183 R HN 0.232 nan 8.270 nan 0.000 0.534 184 I N 0.394 120.955 120.570 -0.015 0.000 3.087 184 I HA -0.169 4.007 4.170 0.009 0.000 0.318 184 I C 1.016 177.157 176.117 0.040 0.000 1.209 184 I CA 1.077 62.380 61.300 0.004 0.000 1.460 184 I CB 0.052 38.046 38.000 -0.011 0.000 1.306 184 I HN 0.140 nan 8.210 nan 0.000 0.560 185 D N 5.797 126.238 120.400 0.069 0.000 3.134 185 D HA 0.276 4.922 4.640 0.009 0.000 0.248 185 D C -0.469 175.936 176.300 0.175 0.000 1.273 185 D CA -0.097 53.983 54.000 0.134 0.000 0.904 185 D CB -0.183 40.702 40.800 0.142 0.000 1.089 185 D HN 0.327 nan 8.370 nan 0.000 0.478 186 V N -1.052 118.941 119.914 0.132 0.000 2.680 186 V HA 0.630 4.755 4.120 0.009 0.000 0.309 186 V C 0.371 176.522 176.094 0.094 0.000 1.052 186 V CA -1.209 61.182 62.300 0.153 0.000 0.908 186 V CB 1.414 33.325 31.823 0.146 0.000 1.001 186 V HN -0.002 nan 8.190 nan 0.000 0.431 187 V N 1.490 121.452 119.914 0.079 0.000 2.583 187 V HA 0.763 4.889 4.120 0.009 0.000 0.287 187 V C 0.585 176.725 176.094 0.077 0.000 1.051 187 V CA 0.414 62.713 62.300 -0.002 0.000 1.010 187 V CB 0.541 32.325 31.823 -0.066 0.000 0.988 187 V HN 1.249 nan 8.190 nan 0.000 0.478 188 T N 2.529 117.117 114.554 0.057 0.000 2.940 188 T HA 0.827 5.183 4.350 0.009 0.000 0.288 188 T C -0.556 174.188 174.700 0.075 0.000 1.033 188 T CA -0.776 61.405 62.100 0.135 0.000 1.033 188 T CB 1.766 70.691 68.868 0.095 0.000 1.079 188 T HN 0.664 nan 8.240 nan 0.000 0.496 189 I N 1.657 122.293 120.570 0.111 0.000 2.569 189 I HA 0.528 4.703 4.170 0.009 0.000 0.290 189 I C -1.548 174.615 176.117 0.076 0.000 1.088 189 I CA -0.985 60.269 61.300 -0.076 0.000 1.047 189 I CB 2.310 40.015 38.000 -0.491 0.000 1.237 189 I HN 0.717 nan 8.210 nan 0.000 0.421 190 F N 4.578 124.507 119.950 -0.035 0.000 2.507 190 F HA 0.558 5.090 4.527 0.008 0.000 0.328 190 F C -0.630 175.238 175.800 0.114 0.000 1.136 190 F CA -0.119 57.945 58.000 0.105 0.000 0.930 190 F CB 1.776 40.847 39.000 0.119 0.000 1.166 190 F HN 0.283 nan 8.300 nan 0.000 0.436 191 T N 4.506 118.712 114.554 -0.581 0.000 2.779 191 T HA 0.347 4.703 4.350 0.009 0.000 0.280 191 T C -0.478 173.760 174.700 -0.769 0.000 0.987 191 T CA -0.395 61.362 62.100 -0.572 0.000 0.966 191 T CB 1.372 69.993 68.868 -0.412 0.000 0.933 191 T HN 0.654 nan 8.240 nan 0.000 0.442 192 T N 1.984 116.241 114.554 -0.495 0.000 2.823 192 T HA 0.301 4.657 4.350 0.009 0.000 0.279 192 T C 0.426 175.054 174.700 -0.120 0.000 0.998 192 T CA -0.659 61.345 62.100 -0.160 0.000 0.994 192 T CB 0.502 69.486 68.868 0.193 0.000 0.960 192 T HN 0.656 nan 8.240 nan 0.000 0.448 193 H N 2.514 121.647 119.070 0.106 0.000 2.520 193 H HA 0.583 5.144 4.556 0.009 0.000 0.284 193 H C 0.528 175.962 175.328 0.176 0.000 1.037 193 H CA 0.089 56.215 56.048 0.131 0.000 1.168 193 H CB 0.507 30.360 29.762 0.151 0.000 1.497 193 H HN 0.754 nan 8.280 nan 0.000 0.547 194 A N 0.480 123.476 122.820 0.294 0.000 2.437 194 A HA 0.323 4.649 4.320 0.009 0.000 0.296 194 A C -0.591 177.206 177.584 0.355 0.000 0.974 194 A CA -0.400 51.837 52.037 0.333 0.000 0.592 194 A CB 0.278 19.506 19.000 0.380 0.000 1.405 194 A HN 0.146 nan 8.150 nan 0.000 0.478 195 T N -0.891 113.889 114.554 0.377 0.000 2.887 195 T HA 0.629 4.984 4.350 0.009 0.000 0.288 195 T C 1.074 175.946 174.700 0.287 0.000 1.021 195 T CA -0.295 62.005 62.100 0.332 0.000 1.000 195 T CB 1.084 70.142 68.868 0.315 0.000 1.034 195 T HN 0.807 nan 8.240 nan 0.000 0.467 196 L N 1.320 122.687 121.223 0.241 0.000 2.013 196 L HA -0.082 4.264 4.340 0.009 0.000 0.212 196 L C 2.622 179.615 176.870 0.206 0.000 1.073 196 L CA 1.413 56.382 54.840 0.214 0.000 0.753 196 L CB -0.519 41.562 42.059 0.037 0.000 0.890 196 L HN 0.695 nan 8.230 nan 0.000 0.432 197 L N -0.999 120.318 121.223 0.158 0.000 2.093 197 L HA -0.127 4.219 4.340 0.009 0.000 0.208 197 L C 2.629 179.524 176.870 0.041 0.000 1.085 197 L CA 1.201 56.090 54.840 0.082 0.000 0.755 197 L CB -1.101 41.029 42.059 0.119 0.000 0.904 197 L HN 0.352 nan 8.230 nan 0.000 0.435 198 G N 0.116 108.986 108.800 0.117 0.000 2.514 198 G HA2 -0.286 3.679 3.960 0.009 0.000 0.217 198 G HA3 -0.286 3.679 3.960 0.009 0.000 0.217 198 G C 1.651 176.125 174.900 -0.710 0.000 1.198 198 G CA 0.617 45.686 45.100 -0.051 0.000 0.780 198 G HN 0.268 nan 8.290 nan 0.000 0.565 199 R N -0.659 119.520 120.500 -0.536 0.000 2.097 199 R HA -0.140 4.205 4.340 0.009 0.000 0.236 199 R C 2.407 178.341 176.300 -0.611 0.000 1.135 199 R CA 1.732 57.425 56.100 -0.678 0.000 0.934 199 R CB -0.914 29.184 30.300 -0.337 0.000 0.846 199 R HN 0.483 nan 8.270 nan 0.000 0.431 200 Y N 1.171 121.172 120.300 -0.500 0.000 2.224 200 Y HA -0.134 4.421 4.550 0.008 0.000 0.289 200 Y C 2.378 177.878 175.900 -0.667 0.000 1.146 200 Y CA 1.145 58.825 58.100 -0.700 0.000 1.182 200 Y CB -0.251 37.541 38.460 -1.112 0.000 0.983 200 Y HN 0.005 nan 8.280 nan 0.000 0.524 201 L N -2.002 119.020 121.223 -0.335 0.000 2.156 201 L HA -0.204 4.141 4.340 0.009 0.000 0.208 201 L C 1.708 178.474 176.870 -0.173 0.000 1.095 201 L CA 0.670 55.454 54.840 -0.093 0.000 0.770 201 L CB -0.409 41.704 42.059 0.090 0.000 0.914 201 L HN 0.267 nan 8.230 nan 0.000 0.439 202 C N -0.282 118.746 119.300 -0.453 0.000 2.697 202 C HA 0.249 4.715 4.460 0.009 0.000 0.267 202 C C 2.398 177.279 174.990 -0.181 0.000 1.278 202 C CA 0.035 58.843 59.018 -0.351 0.000 1.708 202 C CB -1.074 26.272 27.740 -0.657 0.000 1.860 202 C HN 0.479 nan 8.230 nan 0.000 0.589 203 A N 1.103 123.805 122.820 -0.197 0.000 2.259 203 A HA 0.100 4.425 4.320 0.009 0.000 0.208 203 A C 1.977 179.549 177.584 -0.020 0.000 1.201 203 A CA 1.329 53.290 52.037 -0.128 0.000 0.824 203 A CB -0.226 18.649 19.000 -0.207 0.000 0.838 203 A HN 0.648 nan 8.150 nan 0.000 0.485 204 S N -2.073 113.637 115.700 0.016 0.000 2.748 204 S HA 0.560 5.035 4.470 0.009 0.000 0.241 204 S C 1.023 175.651 174.600 0.047 0.000 1.064 204 S CA 0.782 59.014 58.200 0.054 0.000 0.892 204 S CB -0.126 63.128 63.200 0.091 0.000 0.810 204 S HN 1.899 nan 8.310 nan 0.000 0.555 209 F N 0.584 120.622 119.950 0.147 0.000 1.885 209 F HA 0.175 4.709 4.527 0.011 0.000 0.228 209 F C 1.059 176.831 175.800 -0.046 0.000 1.217 209 F CA -0.211 57.758 58.000 -0.052 0.000 1.307 209 F CB 0.065 38.868 39.000 -0.328 0.000 1.822 209 F HN 0.332 nan 8.300 nan 0.000 0.336 210 Y N 2.130 122.478 120.300 0.079 0.000 2.651 210 Y HA -0.169 4.385 4.550 0.007 0.000 0.293 210 Y C 1.699 177.605 175.900 0.009 0.000 1.151 210 Y CA 1.217 59.287 58.100 -0.050 0.000 1.362 210 Y CB -0.868 37.587 38.460 -0.008 0.000 0.973 210 Y HN 0.197 nan 8.280 nan 0.000 0.561 211 N N -0.975 117.807 118.700 0.136 0.000 2.414 211 N HA -0.036 4.709 4.740 0.009 0.000 0.189 211 N C 1.325 176.867 175.510 0.053 0.000 1.039 211 N CA 1.430 54.549 53.050 0.115 0.000 0.889 211 N CB -0.665 37.897 38.487 0.125 0.000 1.085 211 N HN 0.357 nan 8.380 nan 0.000 0.442 212 C N 2.052 121.372 119.300 0.033 0.000 2.396 212 C HA 0.403 4.868 4.460 0.009 0.000 0.334 212 C C 2.003 176.967 174.990 -0.044 0.000 1.313 212 C CA -0.865 58.160 59.018 0.012 0.000 1.719 212 C CB -1.980 25.789 27.740 0.049 0.000 1.893 212 C HN 0.322 nan 8.230 nan 0.000 0.589 213 L N -0.054 121.077 121.223 -0.154 0.000 2.341 213 L HA 0.203 4.548 4.340 0.009 0.000 0.214 213 L C 2.087 178.835 176.870 -0.203 0.000 1.115 213 L CA 1.509 56.200 54.840 -0.248 0.000 0.820 213 L CB -1.178 40.515 42.059 -0.609 0.000 0.944 213 L HN 0.344 nan 8.230 nan 0.000 0.452 214 E N 0.789 120.851 120.200 -0.230 0.000 2.482 214 E HA -0.011 4.344 4.350 0.009 0.000 0.196 214 E C 0.922 177.474 176.600 -0.081 0.000 1.047 214 E CA 0.803 57.025 56.400 -0.298 0.000 0.869 214 E CB -0.195 29.275 29.700 -0.383 0.000 0.836 214 E HN 0.738 nan 8.360 nan 0.000 0.520 215 S N -0.117 115.560 115.700 -0.038 0.000 2.952 215 S HA 0.209 4.685 4.470 0.009 0.000 0.251 215 S C 0.209 174.821 174.600 0.020 0.000 1.021 215 S CA -0.694 57.509 58.200 0.005 0.000 1.067 215 S CB -0.032 63.173 63.200 0.009 0.000 1.002 215 S HN 0.100 nan 8.310 nan 0.000 0.574 216 V N -0.653 119.276 119.914 0.026 0.000 2.532 216 V HA 0.625 4.750 4.120 0.009 0.000 0.295 216 V C -0.328 175.799 176.094 0.055 0.000 1.041 216 V CA -0.765 61.565 62.300 0.050 0.000 0.926 216 V CB 1.212 33.077 31.823 0.070 0.000 0.992 216 V HN 0.220 nan 8.190 nan 0.000 0.457 217 D N 2.873 123.311 120.400 0.064 0.000 2.374 217 D HA 0.201 4.846 4.640 0.009 0.000 0.240 217 D C 1.146 177.487 176.300 0.069 0.000 1.229 217 D CA 0.274 54.314 54.000 0.066 0.000 0.895 217 D CB 1.328 42.158 40.800 0.050 0.000 1.046 217 D HN 0.620 nan 8.370 nan 0.000 0.498 218 V N 1.913 121.843 119.914 0.028 0.000 2.255 218 V HA -0.212 3.913 4.120 0.009 0.000 0.247 218 V C 1.568 177.569 176.094 -0.154 0.000 1.051 218 V CA 1.509 63.753 62.300 -0.094 0.000 1.018 218 V CB -0.494 31.276 31.823 -0.088 0.000 0.641 218 V HN 0.336 nan 8.190 nan 0.000 0.445 219 D N -0.644 119.757 120.400 0.001 0.000 2.228 219 D HA -0.208 4.438 4.640 0.009 0.000 0.203 219 D C 2.075 178.399 176.300 0.041 0.000 0.988 219 D CA 2.026 56.093 54.000 0.113 0.000 0.864 219 D CB -0.396 40.499 40.800 0.159 0.000 0.928 219 D HN 0.808 nan 8.370 nan 0.000 0.469 220 H N 0.510 119.543 119.070 -0.061 0.000 2.399 220 H HA 0.023 4.585 4.556 0.010 0.000 0.300 220 H C 1.531 176.804 175.328 -0.093 0.000 1.048 220 H CA 0.661 56.660 56.048 -0.082 0.000 1.370 220 H CB 0.686 30.408 29.762 -0.066 0.000 1.428 220 H HN -0.008 nan 8.280 nan 0.000 0.534 221 E N 0.989 121.111 120.200 -0.130 0.000 2.106 221 E HA -0.087 4.269 4.350 0.009 0.000 0.192 221 E C 2.325 178.893 176.600 -0.054 0.000 0.984 221 E CA 0.797 57.112 56.400 -0.141 0.000 0.806 221 E CB -0.303 29.440 29.700 0.071 0.000 0.750 221 E HN 0.504 nan 8.360 nan 0.000 0.458 222 A N 1.659 124.428 122.820 -0.085 0.000 1.883 222 A HA -0.126 4.199 4.320 0.009 0.000 0.217 222 A C 2.529 180.112 177.584 -0.001 0.000 1.186 222 A CA 2.132 54.141 52.037 -0.046 0.000 0.624 222 A CB -1.337 17.566 19.000 -0.161 0.000 0.822 222 A HN 0.338 nan 8.150 nan 0.000 0.444 223 G N -0.324 108.440 108.800 -0.060 0.000 2.553 223 G HA2 -0.369 3.596 3.960 0.009 0.000 0.218 223 G HA3 -0.369 3.596 3.960 0.009 0.000 0.218 223 G C 1.695 176.468 174.900 -0.211 0.000 1.195 223 G CA 1.427 46.446 45.100 -0.135 0.000 0.779 223 G HN 0.629 nan 8.290 nan 0.000 0.577 224 R N -0.589 119.670 120.500 -0.402 0.000 2.211 224 R HA -0.060 4.286 4.340 0.009 0.000 0.240 224 R C 1.441 177.431 176.300 -0.518 0.000 1.144 224 R CA 1.284 57.063 56.100 -0.534 0.000 0.992 224 R CB -0.309 29.528 30.300 -0.772 0.000 0.869 224 R HN 0.418 nan 8.270 nan 0.000 0.462 225 F N -0.638 119.205 119.950 -0.178 0.000 2.678 225 F HA 0.367 4.899 4.527 0.008 0.000 0.305 225 F C 1.243 176.930 175.800 -0.190 0.000 1.090 225 F CA 0.282 58.159 58.000 -0.205 0.000 1.272 225 F CB 0.952 39.719 39.000 -0.390 0.000 1.060 225 F HN 0.165 nan 8.300 nan 0.000 0.576 226 G N 1.207 110.020 108.800 0.021 0.000 2.314 226 G HA2 -0.259 3.707 3.960 0.009 0.000 0.292 226 G HA3 -0.259 3.707 3.960 0.009 0.000 0.292 226 G C 0.632 175.574 174.900 0.069 0.000 1.059 226 G CA 0.491 45.631 45.100 0.067 0.000 0.982 226 G HN 0.276 nan 8.290 nan 0.000 0.505 227 I N -1.592 118.971 120.570 -0.011 0.000 4.592 227 I HA 0.142 4.318 4.170 0.009 0.000 0.329 227 I C 1.992 177.997 176.117 -0.187 0.000 1.309 227 I CA -0.219 60.943 61.300 -0.230 0.000 1.243 227 I CB -0.843 36.948 38.000 -0.348 0.000 1.241 227 I HN 0.317 nan 8.210 nan 0.000 0.434 228 Y N 3.592 123.873 120.300 -0.033 0.000 2.132 228 Y HA -0.354 4.201 4.550 0.008 0.000 0.280 228 Y C 2.949 178.898 175.900 0.082 0.000 1.193 228 Y CA 2.673 60.811 58.100 0.063 0.000 1.157 228 Y CB -0.319 38.200 38.460 0.098 0.000 0.966 228 Y HN 0.412 nan 8.280 nan 0.000 0.511 229 H N -1.181 117.889 119.070 0.000 0.000 2.389 229 H HA -0.035 4.526 4.556 0.009 0.000 0.299 229 H C 2.211 177.435 175.328 -0.173 0.000 1.081 229 H CA 1.590 57.599 56.048 -0.065 0.000 1.345 229 H CB -0.814 28.962 29.762 0.024 0.000 1.393 229 H HN 0.326 nan 8.280 nan 0.000 0.520 230 R N -0.081 119.963 120.500 -0.761 0.000 2.075 230 R HA -0.146 4.200 4.340 0.009 0.000 0.232 230 R C 2.374 178.257 176.300 -0.696 0.000 1.126 230 R CA 1.419 57.005 56.100 -0.856 0.000 0.963 230 R CB -0.586 29.078 30.300 -1.060 0.000 0.858 230 R HN 0.297 nan 8.270 nan 0.000 0.435 231 Y N 1.012 120.960 120.300 -0.586 0.000 2.151 231 Y HA -0.338 4.217 4.550 0.009 0.000 0.284 231 Y C 2.250 177.918 175.900 -0.386 0.000 1.166 231 Y CA 1.240 59.082 58.100 -0.430 0.000 1.163 231 Y CB -0.476 37.793 38.460 -0.318 0.000 0.974 231 Y HN 0.056 nan 8.280 nan 0.000 0.511 232 C N 0.077 119.070 119.300 -0.511 0.000 2.440 232 C HA -0.143 4.322 4.460 0.009 0.000 0.278 232 C C 2.800 177.571 174.990 -0.366 0.000 1.295 232 C CA 1.131 59.862 59.018 -0.479 0.000 1.738 232 C CB -1.383 26.141 27.740 -0.360 0.000 1.987 232 C HN 0.615 nan 8.230 nan 0.000 0.492 233 I N 0.707 121.104 120.570 -0.288 0.000 2.252 233 I HA -0.199 3.976 4.170 0.009 0.000 0.245 233 I C 2.656 178.644 176.117 -0.213 0.000 1.102 233 I CA 1.635 62.836 61.300 -0.166 0.000 1.385 233 I CB -0.528 37.487 38.000 0.025 0.000 1.064 233 I HN 0.419 nan 8.210 nan 0.000 0.414 234 E N 0.928 120.959 120.200 -0.280 0.000 2.110 234 E HA -0.241 4.115 4.350 0.009 0.000 0.193 234 E C 2.388 178.778 176.600 -0.350 0.000 0.988 234 E CA 0.971 57.256 56.400 -0.192 0.000 0.804 234 E CB 0.096 29.693 29.700 -0.172 0.000 0.745 234 E HN 0.260 nan 8.360 nan 0.000 0.458 235 R N -0.239 119.960 120.500 -0.501 0.000 2.055 235 R HA -0.040 4.306 4.340 0.009 0.000 0.226 235 R C 2.316 178.414 176.300 -0.337 0.000 1.135 235 R CA 1.052 56.877 56.100 -0.459 0.000 0.959 235 R CB -0.285 29.703 30.300 -0.519 0.000 0.854 235 R HN 0.191 nan 8.270 nan 0.000 0.431 236 A N 1.046 123.683 122.820 -0.306 0.000 1.892 236 A HA -0.220 4.105 4.320 0.009 0.000 0.218 236 A C 2.336 179.699 177.584 -0.369 0.000 1.188 236 A CA 2.083 53.964 52.037 -0.260 0.000 0.631 236 A CB -0.851 18.007 19.000 -0.236 0.000 0.822 236 A HN 0.538 nan 8.150 nan 0.000 0.447 237 A N -0.398 122.105 122.820 -0.529 0.000 1.908 237 A HA 0.133 4.458 4.320 0.009 0.000 0.218 237 A C 2.494 179.519 177.584 -0.931 0.000 1.181 237 A CA 2.216 53.751 52.037 -0.837 0.000 0.627 237 A CB -0.976 17.261 19.000 -1.273 0.000 0.818 237 A HN 1.155 nan 8.150 nan 0.000 0.445 238 A N -1.455 120.824 122.820 -0.902 0.000 1.969 238 A HA -0.137 4.189 4.320 0.009 0.000 0.218 238 A C 2.016 179.073 177.584 -0.878 0.000 1.169 238 A CA 1.458 52.863 52.037 -1.053 0.000 0.635 238 A CB -0.732 17.451 19.000 -1.362 0.000 0.810 238 A HN 0.690 nan 8.150 nan 0.000 0.445 239 H N -0.819 117.963 119.070 -0.479 0.000 2.465 239 H HA 0.084 4.645 4.556 0.008 0.000 0.289 239 H C 2.067 177.244 175.328 -0.251 0.000 1.022 239 H CA 1.255 57.113 56.048 -0.317 0.000 1.340 239 H CB 0.029 29.633 29.762 -0.263 0.000 1.437 239 H HN 0.468 nan 8.280 nan 0.000 0.539 240 S N 0.765 116.360 115.700 -0.175 0.000 2.481 240 S HA 0.112 4.587 4.470 0.009 0.000 0.231 240 S C 1.285 175.784 174.600 -0.168 0.000 0.996 240 S CA 0.174 58.267 58.200 -0.177 0.000 0.942 240 S CB -0.013 63.051 63.200 -0.227 0.000 0.768 240 S HN 0.385 nan 8.310 nan 0.000 0.520 241 A N 1.722 124.437 122.820 -0.174 0.000 2.425 241 A HA 0.246 4.572 4.320 0.009 0.000 0.249 241 A C 0.704 178.259 177.584 -0.047 0.000 1.084 241 A CA -0.439 51.547 52.037 -0.085 0.000 0.781 241 A CB 0.178 19.190 19.000 0.022 0.000 1.019 241 A HN 0.085 nan 8.150 nan 0.000 0.490 242 D N 0.392 120.770 120.400 -0.037 0.000 2.149 242 D HA 0.019 4.665 4.640 0.009 0.000 0.201 242 D C 0.223 176.507 176.300 -0.026 0.000 0.972 242 D CA 1.448 55.421 54.000 -0.046 0.000 0.835 242 D CB -0.033 40.726 40.800 -0.068 0.000 0.966 242 D HN 0.212 nan 8.370 nan 0.000 0.476 243 V N 1.182 121.093 119.914 -0.005 0.000 2.531 243 V HA 0.265 4.390 4.120 0.009 0.000 0.301 243 V C -0.985 175.169 176.094 0.099 0.000 1.034 243 V CA -1.007 61.297 62.300 0.008 0.000 0.865 243 V CB 2.158 33.947 31.823 -0.056 0.000 0.995 243 V HN -0.101 nan 8.190 nan 0.000 0.424 244 F N 5.140 125.058 119.950 -0.054 0.000 2.427 244 F HA 0.802 5.333 4.527 0.008 0.000 0.346 244 F C 0.270 176.037 175.800 -0.055 0.000 1.120 244 F CA -0.487 57.504 58.000 -0.015 0.000 1.033 244 F CB 1.544 40.532 39.000 -0.019 0.000 1.126 244 F HN 0.627 nan 8.300 nan 0.000 0.462 245 T N 1.516 115.768 114.554 -0.505 0.000 2.896 245 T HA 0.830 5.185 4.350 0.009 0.000 0.297 245 T C -0.428 173.870 174.700 -0.669 0.000 1.108 245 T CA -0.597 61.154 62.100 -0.582 0.000 1.004 245 T CB 1.695 70.350 68.868 -0.355 0.000 1.159 245 T HN 0.717 nan 8.240 nan 0.000 0.499 246 T N -1.682 112.571 114.554 -0.501 0.000 2.907 246 T HA 0.552 4.908 4.350 0.009 0.000 0.290 246 T C 1.434 175.963 174.700 -0.286 0.000 1.066 246 T CA -0.230 61.652 62.100 -0.364 0.000 1.012 246 T CB 1.166 69.888 68.868 -0.244 0.000 1.184 246 T HN 1.038 nan 8.240 nan 0.000 0.522 247 V N -1.181 118.586 119.914 -0.245 0.000 3.041 247 V HA 0.253 4.379 4.120 0.009 0.000 0.260 247 V C 0.808 176.843 176.094 -0.099 0.000 1.105 247 V CA 0.788 62.954 62.300 -0.223 0.000 1.125 247 V CB -1.632 30.083 31.823 -0.179 0.000 0.730 247 V HN 1.139 nan 8.190 nan 0.000 0.479 248 S N -2.640 113.063 115.700 0.005 0.000 2.570 248 S HA 0.445 4.921 4.470 0.009 0.000 0.270 248 S C 0.210 174.859 174.600 0.082 0.000 1.149 248 S CA -0.643 57.631 58.200 0.123 0.000 0.837 248 S CB 2.136 65.482 63.200 0.244 0.000 1.124 248 S HN -0.007 nan 8.310 nan 0.000 0.465 249 Q N 0.370 120.232 119.800 0.105 0.000 2.061 249 Q HA -0.075 4.270 4.340 0.009 0.000 0.204 249 Q C 1.874 177.939 176.000 0.109 0.000 0.984 249 Q CA 1.789 57.644 55.803 0.086 0.000 0.846 249 Q CB -0.634 28.148 28.738 0.074 0.000 0.902 249 Q HN 0.840 nan 8.270 nan 0.000 0.421 250 I N 0.416 121.041 120.570 0.091 0.000 2.264 250 I HA -0.229 3.946 4.170 0.009 0.000 0.248 250 I C 1.766 178.026 176.117 0.238 0.000 1.111 250 I CA 1.702 63.072 61.300 0.118 0.000 1.382 250 I CB -0.469 37.542 38.000 0.018 0.000 1.060 250 I HN 0.092 nan 8.210 nan 0.000 0.418 251 T N 0.611 115.268 114.554 0.172 0.000 2.985 251 T HA 0.070 4.426 4.350 0.009 0.000 0.266 251 T C 1.930 176.725 174.700 0.158 0.000 1.076 251 T CA 0.962 63.170 62.100 0.181 0.000 1.135 251 T CB -0.364 68.575 68.868 0.119 0.000 0.890 251 T HN 0.485 nan 8.240 nan 0.000 0.480 252 A N 0.974 123.861 122.820 0.111 0.000 1.978 252 A HA -0.053 4.273 4.320 0.009 0.000 0.220 252 A C 1.939 179.621 177.584 0.163 0.000 1.170 252 A CA 1.271 53.349 52.037 0.069 0.000 0.636 252 A CB -0.853 18.166 19.000 0.031 0.000 0.810 252 A HN 0.592 nan 8.150 nan 0.000 0.448 253 F N 0.543 120.559 119.950 0.109 0.000 2.234 253 F HA -0.031 4.499 4.527 0.006 0.000 0.296 253 F C 2.104 178.042 175.800 0.230 0.000 1.089 253 F CA 1.664 59.764 58.000 0.167 0.000 1.343 253 F CB -0.093 39.001 39.000 0.156 0.000 1.040 253 F HN 0.397 nan 8.300 nan 0.000 0.498 254 E N 0.653 120.897 120.200 0.074 0.000 2.072 254 E HA -0.181 4.175 4.350 0.009 0.000 0.191 254 E C 2.232 178.869 176.600 0.063 0.000 0.985 254 E CA 1.061 57.474 56.400 0.022 0.000 0.801 254 E CB -0.298 29.586 29.700 0.307 0.000 0.750 254 E HN 0.473 nan 8.360 nan 0.000 0.452 255 A N 1.322 124.220 122.820 0.129 0.000 1.873 255 A HA -0.234 4.091 4.320 0.009 0.000 0.215 255 A C 2.065 179.724 177.584 0.126 0.000 1.186 255 A CA 1.675 53.826 52.037 0.189 0.000 0.616 255 A CB -0.710 18.433 19.000 0.239 0.000 0.823 255 A HN 0.483 nan 8.150 nan 0.000 0.442 256 E N -0.712 119.508 120.200 0.033 0.000 2.086 256 E HA -0.322 4.034 4.350 0.009 0.000 0.205 256 E C 1.724 178.191 176.600 -0.221 0.000 1.027 256 E CA 2.214 58.547 56.400 -0.111 0.000 0.830 256 E CB -0.266 29.295 29.700 -0.233 0.000 0.751 256 E HN 0.808 nan 8.360 nan 0.000 0.456 257 H N -0.967 118.030 119.070 -0.121 0.000 2.497 257 H HA 0.156 4.718 4.556 0.010 0.000 0.282 257 H C 1.804 177.122 175.328 -0.015 0.000 1.003 257 H CA 1.009 56.993 56.048 -0.106 0.000 1.307 257 H CB 0.255 29.870 29.762 -0.244 0.000 1.437 257 H HN 0.150 nan 8.280 nan 0.000 0.544 258 L N -0.266 121.028 121.223 0.119 0.000 2.307 258 L HA 0.047 4.393 4.340 0.009 0.000 0.211 258 L C 1.197 178.225 176.870 0.263 0.000 1.099 258 L CA 0.704 55.657 54.840 0.188 0.000 0.816 258 L CB 0.182 42.366 42.059 0.207 0.000 0.952 258 L HN 0.272 nan 8.230 nan 0.000 0.455 259 L N -1.140 120.179 121.223 0.161 0.000 2.731 259 L HA 0.158 4.503 4.340 0.009 0.000 0.240 259 L C 0.320 177.207 176.870 0.028 0.000 1.120 259 L CA -0.136 54.740 54.840 0.059 0.000 0.913 259 L CB 0.366 42.405 42.059 -0.033 0.000 1.213 259 L HN 0.092 nan 8.230 nan 0.000 0.515 260 K N 0.998 121.432 120.400 0.056 0.000 3.192 260 K HA -0.193 4.132 4.320 0.009 0.000 0.278 260 K C 0.065 176.694 176.600 0.048 0.000 1.164 260 K CA 0.733 57.059 56.287 0.065 0.000 0.816 260 K CB -1.737 30.845 32.500 0.137 0.000 1.256 260 K HN 0.466 nan 8.250 nan 0.000 0.497 261 R N 0.902 121.373 120.500 -0.049 0.000 2.515 261 R HA 0.228 4.574 4.340 0.009 0.000 0.291 261 R C -0.785 175.596 176.300 0.134 0.000 1.046 261 R CA -0.790 55.290 56.100 -0.034 0.000 0.914 261 R CB 1.346 31.447 30.300 -0.333 0.000 1.191 261 R HN 0.132 nan 8.270 nan 0.000 0.435 262 K N 5.861 126.312 120.400 0.085 0.000 2.382 262 K HA 0.171 4.497 4.320 0.009 0.000 0.286 262 K C -2.093 174.579 176.600 0.120 0.000 1.062 262 K CA -1.254 55.080 56.287 0.078 0.000 1.000 262 K CB 0.520 33.037 32.500 0.029 0.000 0.954 262 K HN 0.310 nan 8.250 nan 0.000 0.470 263 P HA -0.106 nan 4.420 nan 0.000 0.264 263 P C -0.494 176.761 177.300 -0.074 0.000 1.173 263 P CA 0.215 63.222 63.100 -0.156 0.000 0.761 263 P CB 0.491 31.999 31.700 -0.321 0.000 0.794 264 D N 1.004 121.357 120.400 -0.079 0.000 2.355 264 D HA 0.131 4.776 4.640 0.009 0.000 0.218 264 D C 1.146 177.399 176.300 -0.078 0.000 1.004 264 D CA 0.924 54.893 54.000 -0.051 0.000 0.880 264 D CB 0.314 41.093 40.800 -0.034 0.000 0.911 264 D HN 0.551 nan 8.370 nan 0.000 0.528 265 G N -0.197 108.529 108.800 -0.124 0.000 2.320 265 G HA2 0.331 4.297 3.960 0.009 0.000 0.296 265 G HA3 0.331 4.297 3.960 0.009 0.000 0.296 265 G C -1.940 172.863 174.900 -0.160 0.000 1.306 265 G CA -0.724 44.308 45.100 -0.113 0.000 0.836 265 G HN -0.068 nan 8.290 nan 0.000 0.517 266 I N 0.559 121.051 120.570 -0.131 0.000 2.498 266 I HA 0.476 4.652 4.170 0.009 0.000 0.290 266 I C -0.369 175.632 176.117 -0.192 0.000 1.032 266 I CA -0.889 60.324 61.300 -0.145 0.000 1.073 266 I CB 1.435 39.400 38.000 -0.058 0.000 1.251 266 I HN 0.405 nan 8.210 nan 0.000 0.426 267 L N 7.625 128.686 121.223 -0.269 0.000 2.435 267 L HA 0.358 4.703 4.340 0.009 0.000 0.253 267 L C -2.299 174.379 176.870 -0.321 0.000 1.087 267 L CA -1.502 53.138 54.840 -0.333 0.000 0.950 267 L CB 0.936 42.661 42.059 -0.555 0.000 1.304 267 L HN 0.247 nan 8.230 nan 0.000 0.453 268 P HA 0.012 nan 4.420 nan 0.000 0.269 268 P C -0.753 176.006 177.300 -0.902 0.000 1.217 268 P CA -0.138 62.479 63.100 -0.806 0.000 0.783 268 P CB 0.486 31.654 31.700 -0.887 0.000 0.898 269 N N 0.672 118.373 118.700 -1.664 0.000 2.419 269 N HA 0.366 5.111 4.740 0.009 0.000 0.264 269 N C 0.498 175.342 175.510 -1.111 0.000 1.031 269 N CA 0.041 52.369 53.050 -1.202 0.000 0.951 269 N CB 0.780 38.457 38.487 -1.350 0.000 1.101 269 N HN 0.431 nan 8.380 nan 0.000 0.488 270 G N 0.786 108.625 108.800 -1.602 0.000 2.511 270 G HA2 0.684 4.650 3.960 0.009 0.000 0.316 270 G HA3 0.684 4.650 3.960 0.009 0.000 0.316 270 G C -0.576 173.662 174.900 -1.104 0.000 1.210 270 G CA -0.301 43.928 45.100 -1.453 0.000 0.969 270 G HN 0.358 nan 8.290 nan 0.000 0.492 271 L N -0.826 120.061 121.223 -0.559 0.000 2.309 271 L HA 0.420 4.766 4.340 0.009 0.000 0.261 271 L C -0.078 176.849 176.870 0.096 0.000 1.021 271 L CA -0.961 53.856 54.840 -0.037 0.000 0.823 271 L CB 1.890 44.049 42.059 0.167 0.000 1.366 271 L HN 0.324 nan 8.230 nan 0.000 0.423 272 N N -0.090 118.778 118.700 0.280 0.000 2.968 272 N HA 0.152 4.897 4.740 0.009 0.000 0.271 272 N C 0.918 176.574 175.510 0.244 0.000 1.174 272 N CA 0.037 53.230 53.050 0.238 0.000 1.096 272 N CB 0.453 39.032 38.487 0.153 0.000 1.403 272 N HN 0.450 nan 8.380 nan 0.000 0.522 273 V N 1.983 122.028 119.914 0.219 0.000 2.453 273 V HA -0.258 3.867 4.120 0.009 0.000 0.252 273 V C 2.196 178.442 176.094 0.252 0.000 1.068 273 V CA 1.276 63.727 62.300 0.252 0.000 1.070 273 V CB -0.547 31.350 31.823 0.122 0.000 0.664 273 V HN 0.677 nan 8.190 nan 0.000 0.461 274 I N 0.318 120.978 120.570 0.149 0.000 2.264 274 I HA -0.315 3.860 4.170 0.009 0.000 0.248 274 I C 2.566 178.723 176.117 0.066 0.000 1.111 274 I CA 2.068 63.423 61.300 0.093 0.000 1.382 274 I CB -0.221 37.807 38.000 0.047 0.000 1.060 274 I HN 0.334 nan 8.210 nan 0.000 0.418 275 K N 0.310 120.724 120.400 0.023 0.000 2.360 275 K HA -0.202 4.123 4.320 0.009 0.000 0.201 275 K C 1.436 177.835 176.600 -0.334 0.000 1.046 275 K CA 1.584 57.760 56.287 -0.185 0.000 0.940 275 K CB -0.128 32.193 32.500 -0.298 0.000 0.748 275 K HN 0.322 nan 8.250 nan 0.000 0.465 276 F N 0.501 120.463 119.950 0.019 0.000 2.289 276 F HA 0.161 4.694 4.527 0.009 0.000 0.280 276 F C 1.296 177.105 175.800 0.016 0.000 1.045 276 F CA -0.057 57.956 58.000 0.022 0.000 1.236 276 F CB -0.355 38.664 39.000 0.031 0.000 1.116 276 F HN -0.108 nan 8.300 nan 0.000 0.550 286 H N 1.254 120.314 119.070 -0.016 0.000 2.290 286 H HA -0.112 4.450 4.556 0.009 0.000 0.298 286 H C 1.879 177.194 175.328 -0.022 0.000 1.087 286 H CA 2.691 58.718 56.048 -0.035 0.000 1.291 286 H CB 0.164 29.911 29.762 -0.024 0.000 1.369 286 H HN 0.395 nan 8.280 nan 0.000 0.492 287 A N 0.685 123.458 122.820 -0.077 0.000 1.845 287 A HA -0.133 4.192 4.320 0.009 0.000 0.215 287 A C 2.488 180.011 177.584 -0.100 0.000 1.195 287 A CA 1.619 53.589 52.037 -0.111 0.000 0.616 287 A CB -1.236 17.776 19.000 0.020 0.000 0.832 287 A HN 0.490 nan 8.150 nan 0.000 0.443 288 L N -0.925 120.270 121.223 -0.046 0.000 2.089 288 L HA -0.206 4.139 4.340 0.009 0.000 0.213 288 L C 2.070 178.904 176.870 -0.059 0.000 1.079 288 L CA 2.425 57.243 54.840 -0.035 0.000 0.758 288 L CB -0.271 41.779 42.059 -0.016 0.000 0.891 288 L HN 0.231 nan 8.230 nan 0.000 0.433 289 K N -0.672 119.670 120.400 -0.097 0.000 2.166 289 K HA -0.020 4.305 4.320 0.009 0.000 0.201 289 K C 2.029 178.539 176.600 -0.149 0.000 1.052 289 K CA 0.747 56.966 56.287 -0.113 0.000 0.969 289 K CB -0.238 32.191 32.500 -0.119 0.000 0.761 289 K HN 0.169 nan 8.250 nan 0.000 0.459 290 K N 0.932 121.194 120.400 -0.230 0.000 2.113 290 K HA -0.196 4.129 4.320 0.009 0.000 0.208 290 K C 1.469 178.064 176.600 -0.008 0.000 1.047 290 K CA 1.339 57.527 56.287 -0.166 0.000 0.928 290 K CB 0.124 32.444 32.500 -0.301 0.000 0.716 290 K HN 0.006 nan 8.250 nan 0.000 0.446 291 E N 0.902 121.089 120.200 -0.021 0.000 2.153 291 E HA -0.153 4.202 4.350 0.009 0.000 0.194 291 E C 1.764 178.383 176.600 0.031 0.000 0.988 291 E CA 1.036 57.452 56.400 0.026 0.000 0.811 291 E CB 0.096 29.803 29.700 0.010 0.000 0.746 291 E HN 0.286 nan 8.360 nan 0.000 0.466 292 K N -0.001 120.399 120.400 -0.000 0.000 2.217 292 K HA -0.002 4.324 4.320 0.009 0.000 0.202 292 K C 2.214 178.837 176.600 0.038 0.000 1.051 292 K CA 0.516 56.809 56.287 0.009 0.000 0.952 292 K CB 0.035 32.523 32.500 -0.019 0.000 0.736 292 K HN 0.188 nan 8.250 nan 0.000 0.453 293 I N 1.344 121.916 120.570 0.004 0.000 2.406 293 I HA -0.222 3.954 4.170 0.009 0.000 0.249 293 I C 1.728 177.937 176.117 0.154 0.000 1.122 293 I CA 0.614 61.908 61.300 -0.010 0.000 1.431 293 I CB -0.263 37.555 38.000 -0.303 0.000 1.087 293 I HN 0.098 nan 8.210 nan 0.000 0.424 294 N N 1.273 120.085 118.700 0.187 0.000 2.036 294 N HA -0.212 4.534 4.740 0.009 0.000 0.195 294 N C 1.412 177.001 175.510 0.132 0.000 1.037 294 N CA 1.624 54.810 53.050 0.226 0.000 0.855 294 N CB -0.565 38.037 38.487 0.192 0.000 1.033 294 N HN 0.297 nan 8.380 nan 0.000 0.423 295 D N 0.124 120.586 120.400 0.102 0.000 2.158 295 D HA -0.165 4.480 4.640 0.009 0.000 0.197 295 D C 1.741 178.099 176.300 0.097 0.000 0.995 295 D CA 0.591 54.630 54.000 0.066 0.000 0.846 295 D CB -0.454 40.381 40.800 0.058 0.000 0.941 295 D HN 0.281 nan 8.370 nan 0.000 0.456 296 F N 1.310 121.293 119.950 0.055 0.000 2.113 296 F HA -0.163 4.370 4.527 0.009 0.000 0.297 296 F C 2.136 178.052 175.800 0.193 0.000 1.103 296 F CA 0.914 58.975 58.000 0.103 0.000 1.248 296 F CB -0.329 38.732 39.000 0.101 0.000 0.999 296 F HN -0.214 nan 8.300 nan 0.000 0.475 297 V N 1.592 121.558 119.914 0.085 0.000 2.407 297 V HA -0.277 3.849 4.120 0.009 0.000 0.248 297 V C 2.506 178.563 176.094 -0.063 0.000 1.055 297 V CA 2.179 64.540 62.300 0.103 0.000 1.049 297 V CB -0.770 31.235 31.823 0.304 0.000 0.662 297 V HN 0.316 nan 8.190 nan 0.000 0.455 298 R N 0.308 120.657 120.500 -0.252 0.000 2.092 298 R HA -0.069 4.276 4.340 0.009 0.000 0.231 298 R C 2.435 178.629 176.300 -0.176 0.000 1.119 298 R CA 1.380 57.217 56.100 -0.439 0.000 0.970 298 R CB -0.737 29.339 30.300 -0.375 0.000 0.864 298 R HN 0.578 nan 8.270 nan 0.000 0.440 299 G N -0.121 108.604 108.800 -0.125 0.000 2.484 299 G HA2 -0.243 3.722 3.960 0.009 0.000 0.218 299 G HA3 -0.243 3.722 3.960 0.009 0.000 0.218 299 G C 1.209 176.114 174.900 0.009 0.000 1.130 299 G CA 0.405 45.461 45.100 -0.074 0.000 0.784 299 G HN 0.366 nan 8.290 nan 0.000 0.543 300 H N -0.864 118.096 119.070 -0.182 0.000 2.476 300 H HA 0.177 4.738 4.556 0.009 0.000 0.292 300 H C 0.757 175.974 175.328 -0.186 0.000 1.019 300 H CA 0.210 56.128 56.048 -0.217 0.000 1.330 300 H CB 0.306 29.777 29.762 -0.485 0.000 1.451 300 H HN 0.365 nan 8.280 nan 0.000 0.535 301 F N 1.751 121.661 119.950 -0.066 0.000 2.668 301 F HA 0.095 4.627 4.527 0.009 0.000 0.297 301 F C 0.456 176.198 175.800 -0.098 0.000 1.124 301 F CA -0.667 57.306 58.000 -0.044 0.000 1.353 301 F CB -0.277 38.836 39.000 0.188 0.000 0.992 301 F HN 0.258 nan 8.300 nan 0.000 0.524 302 H N -1.409 117.667 119.070 0.010 0.000 2.972 302 H HA 0.406 4.968 4.556 0.009 0.000 0.343 302 H C 1.340 176.686 175.328 0.030 0.000 1.054 302 H CA -0.034 56.014 56.048 0.001 0.000 1.412 302 H CB 0.494 30.226 29.762 -0.050 0.000 1.385 302 H HN 0.309 nan 8.280 nan 0.000 0.600 303 G N 1.463 110.311 108.800 0.081 0.000 2.253 303 G HA2 -0.358 3.607 3.960 0.009 0.000 0.251 303 G HA3 -0.358 3.607 3.960 0.009 0.000 0.251 303 G C 0.568 175.482 174.900 0.024 0.000 0.998 303 G CA 0.439 45.557 45.100 0.029 0.000 0.621 303 G HN 1.636 nan 8.290 nan 0.000 0.524 304 C N -2.743 116.593 119.300 0.059 0.000 3.235 304 C HA 0.667 5.132 4.460 0.009 0.000 0.198 304 C C -0.242 174.897 174.990 0.249 0.000 1.527 304 C CA -1.374 57.715 59.018 0.117 0.000 1.167 304 C CB -1.106 26.685 27.740 0.085 0.000 1.938 304 C HN 0.890 nan 8.230 nan 0.000 0.593 305 F N 4.096 124.049 119.950 0.005 0.000 2.384 305 F HA 0.481 5.013 4.527 0.009 0.000 0.359 305 F C 0.526 176.201 175.800 -0.208 0.000 1.143 305 F CA -0.874 57.042 58.000 -0.140 0.000 1.216 305 F CB 0.296 39.199 39.000 -0.162 0.000 1.512 305 F HN 0.603 nan 8.300 nan 0.000 0.573 306 D N 3.022 123.246 120.400 -0.293 0.000 2.440 306 D HA 0.149 4.795 4.640 0.009 0.000 0.216 306 D C -0.263 175.922 176.300 -0.193 0.000 1.150 306 D CA -0.073 53.801 54.000 -0.209 0.000 0.832 306 D CB -0.540 40.275 40.800 0.025 0.000 0.992 306 D HN 0.205 nan 8.370 nan 0.000 0.502 307 F N -1.360 118.322 119.950 -0.446 0.000 2.654 307 F HA 0.661 5.194 4.527 0.009 0.000 0.334 307 F C -0.549 175.005 175.800 -0.411 0.000 1.078 307 F CA -1.697 56.109 58.000 -0.324 0.000 0.986 307 F CB 0.951 39.838 39.000 -0.189 0.000 1.362 307 F HN -0.339 nan 8.300 nan 0.000 0.498 308 D N 1.099 121.485 120.400 -0.023 0.000 2.280 308 D HA 0.305 4.950 4.640 0.009 0.000 0.236 308 D C 0.663 177.009 176.300 0.076 0.000 1.082 308 D CA -0.338 53.623 54.000 -0.065 0.000 0.834 308 D CB 1.474 42.247 40.800 -0.045 0.000 1.100 308 D HN 0.683 nan 8.370 nan 0.000 0.486 309 L N 2.357 123.650 121.223 0.115 0.000 2.275 309 L HA -0.081 4.264 4.340 0.009 0.000 0.215 309 L C 0.936 177.856 176.870 0.082 0.000 1.119 309 L CA 0.724 55.671 54.840 0.179 0.000 0.790 309 L CB -0.006 42.206 42.059 0.254 0.000 0.919 309 L HN 0.365 nan 8.230 nan 0.000 0.443 310 D N -0.370 120.061 120.400 0.052 0.000 2.363 310 D HA -0.077 4.568 4.640 0.009 0.000 0.226 310 D C 1.066 177.359 176.300 -0.012 0.000 1.020 310 D CA 0.662 54.677 54.000 0.025 0.000 0.892 310 D CB 0.033 40.846 40.800 0.021 0.000 0.900 310 D HN 0.162 nan 8.370 nan 0.000 0.531 311 N N -0.741 117.946 118.700 -0.021 0.000 2.167 311 N HA -0.009 4.737 4.740 0.009 0.000 0.234 311 N C -0.873 174.579 175.510 -0.097 0.000 1.312 311 N CA 0.036 53.051 53.050 -0.058 0.000 0.861 311 N CB 0.878 39.340 38.487 -0.042 0.000 1.217 311 N HN -0.001 nan 8.380 nan 0.000 0.504 312 T N -1.188 113.302 114.554 -0.107 0.000 2.859 312 T HA 0.628 4.984 4.350 0.009 0.000 0.281 312 T C -0.165 174.291 174.700 -0.407 0.000 1.005 312 T CA -0.636 61.339 62.100 -0.207 0.000 1.025 312 T CB 1.259 70.070 68.868 -0.096 0.000 0.977 312 T HN -0.056 nan 8.240 nan 0.000 0.458 313 L N 2.754 123.728 121.223 -0.414 0.000 2.334 313 L HA 0.490 4.836 4.340 0.009 0.000 0.276 313 L C -0.984 175.810 176.870 -0.127 0.000 1.014 313 L CA -1.306 53.293 54.840 -0.402 0.000 0.815 313 L CB 1.454 43.386 42.059 -0.211 0.000 1.268 313 L HN 0.681 nan 8.230 nan 0.000 0.428 314 Y N 2.170 122.816 120.300 0.578 0.000 2.335 314 Y HA 0.473 5.028 4.550 0.009 0.000 0.339 314 Y C -0.146 176.236 175.900 0.803 0.000 0.987 314 Y CA -0.754 57.711 58.100 0.608 0.000 1.140 314 Y CB 0.876 39.697 38.460 0.602 0.000 1.173 314 Y HN 0.206 nan 8.280 nan 0.000 0.486 315 F N 4.305 124.601 119.950 0.577 0.000 2.470 315 F HA 0.611 5.143 4.527 0.009 0.000 0.329 315 F C -0.213 175.956 175.800 0.615 0.000 1.072 315 F CA -2.165 56.101 58.000 0.442 0.000 0.989 315 F CB 1.348 40.545 39.000 0.329 0.000 1.193 315 F HN 0.364 nan 8.300 nan 0.000 0.481 316 F N 1.429 121.605 119.950 0.376 0.000 2.645 316 F HA 0.795 5.328 4.527 0.010 0.000 0.310 316 F C -1.997 173.691 175.800 -0.187 0.000 1.102 316 F CA -1.296 56.880 58.000 0.292 0.000 0.952 316 F CB 1.500 40.747 39.000 0.412 0.000 1.326 316 F HN 0.402 nan 8.300 nan 0.000 0.456 317 I N 2.065 122.506 120.570 -0.215 0.000 2.730 317 I HA 0.909 5.084 4.170 0.009 0.000 0.298 317 I C -1.332 174.935 176.117 0.250 0.000 1.089 317 I CA -0.807 60.224 61.300 -0.447 0.000 1.041 317 I CB 1.886 39.361 38.000 -0.874 0.000 1.235 317 I HN 1.182 nan 8.210 nan 0.000 0.423 318 A N 3.981 127.060 122.820 0.433 0.000 2.588 318 A HA 1.003 5.329 4.320 0.009 0.000 0.290 318 A C -0.415 177.300 177.584 0.219 0.000 1.136 318 A CA -0.079 52.199 52.037 0.403 0.000 0.681 318 A CB 1.212 20.618 19.000 0.676 0.000 1.282 318 A HN 1.605 nan 8.150 nan 0.000 0.421 319 G N -0.643 108.212 108.800 0.092 0.000 2.353 319 G HA2 0.293 4.259 3.960 0.009 0.000 0.615 319 G HA3 0.293 4.259 3.960 0.009 0.000 0.615 319 G C -0.498 174.419 174.900 0.029 0.000 1.280 319 G CA -0.334 44.788 45.100 0.036 0.000 1.000 319 G HN 0.877 nan 8.290 nan 0.000 0.516 320 R N -1.092 119.445 120.500 0.062 0.000 2.756 320 R HA 0.215 4.560 4.340 0.009 0.000 0.264 320 R C -0.283 176.112 176.300 0.158 0.000 1.026 320 R CA -0.306 55.852 56.100 0.097 0.000 1.121 320 R CB 0.064 30.432 30.300 0.114 0.000 0.999 320 R HN 0.526 nan 8.270 nan 0.000 0.449 321 Y N 2.999 123.320 120.300 0.034 0.000 2.594 321 Y HA 0.095 4.650 4.550 0.009 0.000 0.344 321 Y C -0.752 175.197 175.900 0.081 0.000 1.185 321 Y CA -0.344 57.792 58.100 0.061 0.000 1.565 321 Y CB -0.024 38.471 38.460 0.059 0.000 1.415 321 Y HN 0.504 nan 8.280 nan 0.000 0.488 322 E N 5.319 125.744 120.200 0.375 0.000 2.489 322 E HA 0.003 4.358 4.350 0.009 0.000 0.232 322 E C 0.283 177.063 176.600 0.299 0.000 0.990 322 E CA -0.358 56.203 56.400 0.269 0.000 0.768 322 E CB 0.515 30.320 29.700 0.176 0.000 1.270 322 E HN 0.797 nan 8.360 nan 0.000 0.423 323 Y N 3.782 124.233 120.300 0.252 0.000 2.030 323 Y HA -0.420 4.136 4.550 0.009 0.000 0.272 323 Y C 2.241 178.217 175.900 0.125 0.000 1.185 323 Y CA 2.309 60.535 58.100 0.210 0.000 1.120 323 Y CB 0.257 38.837 38.460 0.199 0.000 0.955 323 Y HN 0.267 nan 8.280 nan 0.000 0.495 324 K N 0.188 120.577 120.400 -0.018 0.000 2.098 324 K HA -0.080 4.245 4.320 0.009 0.000 0.203 324 K C 1.597 178.208 176.600 0.017 0.000 1.051 324 K CA 1.676 57.880 56.287 -0.138 0.000 0.957 324 K CB -0.215 32.262 32.500 -0.038 0.000 0.738 324 K HN 0.268 nan 8.250 nan 0.000 0.447 325 N N 0.490 119.267 118.700 0.129 0.000 2.331 325 N HA -0.066 4.679 4.740 0.009 0.000 0.180 325 N C 0.731 176.358 175.510 0.195 0.000 1.019 325 N CA 0.789 53.979 53.050 0.234 0.000 0.881 325 N CB 0.160 38.784 38.487 0.229 0.000 0.972 325 N HN 0.093 nan 8.380 nan 0.000 0.435 326 K N -0.134 120.344 120.400 0.129 0.000 2.374 326 K HA 0.213 4.538 4.320 0.009 0.000 0.196 326 K C 0.444 177.081 176.600 0.062 0.000 1.023 326 K CA -0.028 56.321 56.287 0.103 0.000 1.103 326 K CB 0.137 32.698 32.500 0.101 0.000 0.848 326 K HN 0.166 nan 8.250 nan 0.000 0.528 327 G N 1.632 110.449 108.800 0.028 0.000 2.272 327 G HA2 -0.314 3.651 3.960 0.009 0.000 0.280 327 G HA3 -0.314 3.651 3.960 0.009 0.000 0.280 327 G C 0.877 175.758 174.900 -0.032 0.000 1.067 327 G CA 0.475 45.566 45.100 -0.013 0.000 0.902 327 G HN 0.358 nan 8.290 nan 0.000 0.500 328 A N 0.103 122.864 122.820 -0.097 0.000 1.970 328 A HA 0.155 4.480 4.320 0.009 0.000 0.216 328 A C 2.249 179.812 177.584 -0.035 0.000 1.170 328 A CA 1.912 53.945 52.037 -0.007 0.000 0.645 328 A CB -0.203 18.826 19.000 0.047 0.000 0.816 328 A HN 0.770 nan 8.150 nan 0.000 0.447 329 D N 0.185 120.361 120.400 -0.372 0.000 2.084 329 D HA -0.246 4.400 4.640 0.009 0.000 0.194 329 D C 1.892 178.151 176.300 -0.069 0.000 0.990 329 D CA 1.672 55.502 54.000 -0.284 0.000 0.826 329 D CB -0.799 39.684 40.800 -0.528 0.000 0.971 329 D HN 0.412 nan 8.370 nan 0.000 0.453 330 M N -0.958 118.609 119.600 -0.055 0.000 2.108 330 M HA -0.114 4.371 4.480 0.009 0.000 0.261 330 M C 2.167 178.508 176.300 0.068 0.000 1.066 330 M CA 1.296 56.602 55.300 0.010 0.000 1.107 330 M CB -0.311 32.305 32.600 0.028 0.000 1.356 330 M HN -0.008 nan 8.290 nan 0.000 0.406 331 F N 1.195 121.110 119.950 -0.058 0.000 2.069 331 F HA -0.232 4.300 4.527 0.008 0.000 0.298 331 F C 1.904 177.694 175.800 -0.016 0.000 1.113 331 F CA 1.712 59.687 58.000 -0.042 0.000 1.214 331 F CB -0.485 38.483 39.000 -0.052 0.000 0.978 331 F HN -0.003 nan 8.300 nan 0.000 0.474 332 I N 0.042 120.566 120.570 -0.076 0.000 2.113 332 I HA -0.265 3.910 4.170 0.009 0.000 0.238 332 I C 2.417 178.445 176.117 -0.149 0.000 1.070 332 I CA 1.725 62.920 61.300 -0.175 0.000 1.332 332 I CB -0.687 37.298 38.000 -0.025 0.000 1.044 332 I HN 0.111 nan 8.210 nan 0.000 0.402 333 E N 1.481 121.640 120.200 -0.067 0.000 2.086 333 E HA -0.286 4.070 4.350 0.009 0.000 0.200 333 E C 2.070 178.627 176.600 -0.072 0.000 1.012 333 E CA 2.089 58.457 56.400 -0.055 0.000 0.812 333 E CB -0.261 29.424 29.700 -0.026 0.000 0.743 333 E HN 0.456 nan 8.360 nan 0.000 0.453 334 A N -0.060 122.714 122.820 -0.077 0.000 1.969 334 A HA -0.084 4.241 4.320 0.009 0.000 0.218 334 A C 2.310 179.836 177.584 -0.096 0.000 1.169 334 A CA 1.285 53.283 52.037 -0.064 0.000 0.635 334 A CB -0.555 18.430 19.000 -0.025 0.000 0.810 334 A HN 0.344 nan 8.150 nan 0.000 0.445 335 L N -0.944 120.163 121.223 -0.193 0.000 2.072 335 L HA -0.138 4.207 4.340 0.009 0.000 0.205 335 L C 3.104 179.902 176.870 -0.121 0.000 1.079 335 L CA 0.913 55.633 54.840 -0.200 0.000 0.752 335 L CB -0.516 41.327 42.059 -0.361 0.000 0.906 335 L HN 0.420 nan 8.230 nan 0.000 0.436 336 A N 0.328 123.082 122.820 -0.111 0.000 1.908 336 A HA -0.250 4.075 4.320 0.009 0.000 0.218 336 A C 2.340 179.916 177.584 -0.014 0.000 1.181 336 A CA 1.840 53.839 52.037 -0.063 0.000 0.627 336 A CB -0.497 18.464 19.000 -0.064 0.000 0.818 336 A HN 0.324 nan 8.150 nan 0.000 0.445 337 R N -1.346 119.137 120.500 -0.028 0.000 2.189 337 R HA 0.044 4.389 4.340 0.009 0.000 0.218 337 R C 1.944 178.254 176.300 0.017 0.000 1.074 337 R CA 0.943 57.032 56.100 -0.017 0.000 0.991 337 R CB -0.305 29.962 30.300 -0.055 0.000 0.883 337 R HN 0.508 nan 8.270 nan 0.000 0.457 338 L N 0.741 121.965 121.223 0.002 0.000 2.179 338 L HA -0.019 4.326 4.340 0.009 0.000 0.208 338 L C 1.666 178.547 176.870 0.019 0.000 1.096 338 L CA 1.633 56.483 54.840 0.017 0.000 0.779 338 L CB -0.434 41.632 42.059 0.012 0.000 0.922 338 L HN 0.045 nan 8.230 nan 0.000 0.443 339 N N -1.229 117.475 118.700 0.006 0.000 2.106 339 N HA -0.285 4.460 4.740 0.009 0.000 0.188 339 N C 1.958 177.492 175.510 0.041 0.000 1.029 339 N CA 1.820 54.867 53.050 -0.006 0.000 0.848 339 N CB -0.494 37.978 38.487 -0.026 0.000 1.007 339 N HN 0.545 nan 8.380 nan 0.000 0.423 340 Y N 1.368 121.641 120.300 -0.045 0.000 2.053 340 Y HA -0.203 4.353 4.550 0.010 0.000 0.277 340 Y C 2.288 178.170 175.900 -0.030 0.000 1.159 340 Y CA 1.911 59.992 58.100 -0.033 0.000 1.125 340 Y CB -0.140 38.303 38.460 -0.028 0.000 0.969 340 Y HN 0.050 nan 8.280 nan 0.000 0.492 341 R N -0.049 120.624 120.500 0.289 0.000 2.170 341 R HA -0.203 4.142 4.340 0.009 0.000 0.242 341 R C 2.067 178.407 176.300 0.067 0.000 1.145 341 R CA 1.729 57.936 56.100 0.179 0.000 0.984 341 R CB -0.502 29.859 30.300 0.103 0.000 0.869 341 R HN 0.448 nan 8.270 nan 0.000 0.455 342 L N 0.038 121.276 121.223 0.024 0.000 2.307 342 L HA -0.026 4.319 4.340 0.009 0.000 0.211 342 L C 2.285 179.127 176.870 -0.048 0.000 1.099 342 L CA 0.695 55.523 54.840 -0.020 0.000 0.816 342 L CB -0.166 41.868 42.059 -0.041 0.000 0.952 342 L HN 0.057 nan 8.230 nan 0.000 0.455 343 K N 0.068 120.424 120.400 -0.073 0.000 2.001 343 K HA -0.100 4.226 4.320 0.009 0.000 0.208 343 K C 2.082 178.612 176.600 -0.118 0.000 1.048 343 K CA 1.147 57.367 56.287 -0.111 0.000 0.932 343 K CB -0.300 32.104 32.500 -0.160 0.000 0.715 343 K HN 0.056 nan 8.250 nan 0.000 0.437 344 V N 2.011 121.837 119.914 -0.148 0.000 2.332 344 V HA -0.243 3.882 4.120 0.009 0.000 0.248 344 V C 2.422 178.492 176.094 -0.040 0.000 1.055 344 V CA 2.281 64.519 62.300 -0.104 0.000 1.038 344 V CB -0.595 31.192 31.823 -0.059 0.000 0.651 344 V HN 0.466 nan 8.190 nan 0.000 0.450 345 S N 0.399 116.089 115.700 -0.018 0.000 2.603 345 S HA 0.103 4.578 4.470 0.009 0.000 0.229 345 S C 1.466 176.052 174.600 -0.024 0.000 0.972 345 S CA 0.632 58.825 58.200 -0.011 0.000 0.935 345 S CB -0.477 62.724 63.200 0.000 0.000 0.769 345 S HN 1.394 nan 8.310 nan 0.000 0.536 346 G N 1.069 109.846 108.800 -0.038 0.000 2.359 346 G HA2 -0.235 3.731 3.960 0.009 0.000 0.298 346 G HA3 -0.235 3.731 3.960 0.009 0.000 0.298 346 G C -0.092 174.785 174.900 -0.038 0.000 1.030 346 G CA 0.461 45.537 45.100 -0.040 0.000 1.149 346 G HN 0.862 nan 8.290 nan 0.000 0.512 347 S N -0.903 114.771 115.700 -0.043 0.000 2.632 347 S HA 0.579 5.054 4.470 0.009 0.000 0.271 347 S C 1.586 176.155 174.600 -0.052 0.000 1.260 347 S CA 0.198 58.371 58.200 -0.046 0.000 1.010 347 S CB 0.619 63.790 63.200 -0.049 0.000 0.965 347 S HN 0.645 nan 8.310 nan 0.000 0.534 348 K N 1.622 121.991 120.400 -0.053 0.000 2.367 348 K HA 0.290 4.616 4.320 0.009 0.000 0.194 348 K C 0.126 176.689 176.600 -0.061 0.000 1.027 348 K CA 0.134 56.391 56.287 -0.051 0.000 1.075 348 K CB 0.129 32.602 32.500 -0.045 0.000 0.845 348 K HN 0.268 nan 8.250 nan 0.000 0.529 349 K N 0.969 121.320 120.400 -0.081 0.000 2.185 349 K HA 0.362 4.688 4.320 0.009 0.000 0.240 349 K C -0.757 175.754 176.600 -0.148 0.000 0.983 349 K CA -0.794 55.428 56.287 -0.108 0.000 0.873 349 K CB 1.993 34.421 32.500 -0.121 0.000 1.118 349 K HN -0.162 nan 8.250 nan 0.000 0.441 350 T N 0.441 114.878 114.554 -0.195 0.000 2.876 350 T HA 0.343 4.699 4.350 0.009 0.000 0.289 350 T C -0.949 173.554 174.700 -0.329 0.000 1.014 350 T CA -0.725 61.193 62.100 -0.304 0.000 0.986 350 T CB 1.692 70.267 68.868 -0.488 0.000 1.021 350 T HN 0.154 nan 8.240 nan 0.000 0.458 351 V N 3.205 122.905 119.914 -0.357 0.000 2.350 351 V HA 0.353 4.479 4.120 0.009 0.000 0.285 351 V C -0.224 175.705 176.094 -0.274 0.000 1.014 351 V CA -0.712 61.343 62.300 -0.409 0.000 0.831 351 V CB 1.486 32.951 31.823 -0.597 0.000 1.000 351 V HN 0.754 nan 8.190 nan 0.000 0.433 352 V N 4.787 124.643 119.914 -0.098 0.000 2.385 352 V HA 0.666 4.791 4.120 0.009 0.000 0.269 352 V C 0.572 176.708 176.094 0.071 0.000 1.043 352 V CA -0.286 62.020 62.300 0.011 0.000 0.906 352 V CB 1.400 33.337 31.823 0.190 0.000 0.995 352 V HN 0.917 nan 8.190 nan 0.000 0.467 353 A N 6.059 128.869 122.820 -0.016 0.000 2.273 353 A HA 0.810 5.136 4.320 0.009 0.000 0.315 353 A C -0.740 176.944 177.584 0.166 0.000 1.256 353 A CA -0.413 51.752 52.037 0.212 0.000 0.851 353 A CB 0.236 19.353 19.000 0.195 0.000 1.172 353 A HN 0.622 nan 8.150 nan 0.000 0.508 354 F N 1.965 122.220 119.950 0.508 0.000 2.396 354 F HA 0.461 4.994 4.527 0.009 0.000 0.343 354 F C 0.508 176.576 175.800 0.446 0.000 1.104 354 F CA -0.251 58.015 58.000 0.444 0.000 1.161 354 F CB 1.247 40.529 39.000 0.470 0.000 1.146 354 F HN 0.343 nan 8.300 nan 0.000 0.522 355 I N 4.139 125.018 120.570 0.515 0.000 2.371 355 I HA 0.220 4.395 4.170 0.009 0.000 0.282 355 I C -0.923 175.420 176.117 0.377 0.000 1.031 355 I CA -0.612 60.909 61.300 0.368 0.000 1.180 355 I CB 1.192 39.292 38.000 0.167 0.000 1.336 355 I HN 0.237 nan 8.210 nan 0.000 0.467 356 V N 7.952 128.041 119.914 0.293 0.000 2.270 356 V HA 0.383 4.508 4.120 0.009 0.000 0.263 356 V C 0.165 176.319 176.094 0.100 0.000 1.066 356 V CA 0.023 62.437 62.300 0.190 0.000 0.857 356 V CB 0.261 32.147 31.823 0.106 0.000 1.099 356 V HN 0.668 nan 8.190 nan 0.000 0.476 357 M N 6.105 125.754 119.600 0.082 0.000 2.150 357 M HA 0.359 4.845 4.480 0.009 0.000 0.255 357 M C -2.959 173.305 176.300 -0.061 0.000 0.963 357 M CA -1.479 53.789 55.300 -0.053 0.000 1.033 357 M CB 3.064 35.543 32.600 -0.201 0.000 2.007 357 M HN 0.214 nan 8.290 nan 0.000 0.462 358 P HA 0.140 nan 4.420 nan 0.000 0.262 358 P C -0.891 176.440 177.300 0.052 0.000 1.199 358 P CA 0.253 63.207 63.100 -0.244 0.000 0.763 358 P CB 0.584 31.938 31.700 -0.577 0.000 0.790 359 A N 3.809 126.662 122.820 0.055 0.000 2.344 359 A HA 0.577 4.902 4.320 0.009 0.000 0.307 359 A C -0.298 177.304 177.584 0.030 0.000 1.151 359 A CA -0.735 51.414 52.037 0.187 0.000 0.842 359 A CB 0.902 20.099 19.000 0.327 0.000 1.350 359 A HN 0.230 nan 8.150 nan 0.000 0.459 360 K N 1.430 121.854 120.400 0.039 0.000 2.416 360 K HA 0.166 4.491 4.320 0.009 0.000 0.283 360 K C -0.656 175.933 176.600 -0.018 0.000 1.037 360 K CA 0.387 56.677 56.287 0.006 0.000 0.995 360 K CB -0.073 32.432 32.500 0.010 0.000 0.938 360 K HN 0.839 nan 8.250 nan 0.000 0.475 361 N N 0.429 119.107 118.700 -0.037 0.000 2.494 361 N HA 0.234 4.979 4.740 0.009 0.000 0.270 361 N C -0.943 174.549 175.510 -0.030 0.000 1.285 361 N CA -0.856 52.167 53.050 -0.045 0.000 0.812 361 N CB 0.877 39.305 38.487 -0.097 0.000 1.557 361 N HN 0.112 nan 8.380 nan 0.000 0.487 362 N N 0.975 119.659 118.700 -0.028 0.000 2.908 362 N HA 0.204 4.949 4.740 0.009 0.000 0.316 362 N C -0.728 174.738 175.510 -0.072 0.000 1.619 362 N CA 0.100 53.129 53.050 -0.034 0.000 1.045 362 N CB 0.175 38.652 38.487 -0.018 0.000 1.357 362 N HN 0.699 nan 8.380 nan 0.000 0.501 363 S N -0.104 115.519 115.700 -0.128 0.000 3.238 363 S HA -0.263 4.213 4.470 0.009 0.000 0.635 363 S C -0.144 174.152 174.600 -0.507 0.000 2.771 363 S CA 0.175 58.168 58.200 -0.345 0.000 2.973 363 S CB -0.594 62.489 63.200 -0.195 0.000 0.332 363 S HN 0.337 nan 8.310 nan 0.000 1.788 364 F N 1.978 121.714 119.950 -0.357 0.000 2.506 364 F HA 0.325 4.858 4.527 0.009 0.000 0.351 364 F C 1.509 177.209 175.800 -0.166 0.000 1.136 364 F CA 0.406 58.168 58.000 -0.397 0.000 1.298 364 F CB 0.101 38.935 39.000 -0.277 0.000 1.145 364 F HN 0.565 nan 8.300 nan 0.000 0.593 365 T N -0.425 114.173 114.554 0.074 0.000 2.901 365 T HA 0.134 4.490 4.350 0.009 0.000 0.301 365 T C 1.147 175.892 174.700 0.076 0.000 1.012 365 T CA -0.863 61.278 62.100 0.068 0.000 1.135 365 T CB 1.140 70.053 68.868 0.076 0.000 0.936 365 T HN 0.453 nan 8.240 nan 0.000 0.539 366 V N 2.546 122.489 119.914 0.049 0.000 2.277 366 V HA -0.263 3.862 4.120 0.009 0.000 0.253 366 V C 2.814 178.925 176.094 0.029 0.000 1.067 366 V CA 2.702 65.022 62.300 0.033 0.000 1.047 366 V CB -0.875 30.961 31.823 0.021 0.000 0.649 366 V HN 1.144 nan 8.190 nan 0.000 0.447 367 E N -0.408 119.812 120.200 0.034 0.000 2.118 367 E HA -0.235 4.121 4.350 0.009 0.000 0.195 367 E C 2.043 178.670 176.600 0.045 0.000 0.992 367 E CA 1.562 57.982 56.400 0.033 0.000 0.804 367 E CB -0.257 29.458 29.700 0.024 0.000 0.741 367 E HN 0.629 nan 8.360 nan 0.000 0.458 368 A N 0.368 123.234 122.820 0.076 0.000 2.021 368 A HA 0.040 4.365 4.320 0.009 0.000 0.216 368 A C 2.092 179.711 177.584 0.059 0.000 1.163 368 A CA 0.354 52.463 52.037 0.120 0.000 0.676 368 A CB -0.269 18.877 19.000 0.244 0.000 0.818 368 A HN 0.284 nan 8.150 nan 0.000 0.453 369 L N -0.480 120.753 121.223 0.017 0.000 2.056 369 L HA -0.164 4.182 4.340 0.009 0.000 0.207 369 L C 2.580 179.414 176.870 -0.060 0.000 1.078 369 L CA 1.823 56.633 54.840 -0.049 0.000 0.749 369 L CB -0.367 41.669 42.059 -0.038 0.000 0.901 369 L HN 0.443 nan 8.230 nan 0.000 0.433 370 K N 0.311 120.680 120.400 -0.052 0.000 2.009 370 K HA -0.189 4.137 4.320 0.009 0.000 0.210 370 K C 2.067 178.558 176.600 -0.181 0.000 1.049 370 K CA 1.658 57.889 56.287 -0.094 0.000 0.929 370 K CB -0.522 31.935 32.500 -0.073 0.000 0.714 370 K HN 0.306 nan 8.250 nan 0.000 0.440 371 G N 1.060 109.746 108.800 -0.190 0.000 2.574 371 G HA2 -0.335 3.631 3.960 0.009 0.000 0.220 371 G HA3 -0.335 3.631 3.960 0.009 0.000 0.220 371 G C 1.425 176.187 174.900 -0.230 0.000 1.173 371 G CA 1.109 46.008 45.100 -0.336 0.000 0.772 371 G HN 0.374 nan 8.290 nan 0.000 0.585 372 Q N 0.442 120.173 119.800 -0.114 0.000 2.046 372 Q HA 0.044 4.390 4.340 0.009 0.000 0.200 372 Q C 3.019 178.963 176.000 -0.094 0.000 0.975 372 Q CA 1.488 57.242 55.803 -0.082 0.000 0.836 372 Q CB -1.066 27.645 28.738 -0.045 0.000 0.896 372 Q HN 0.463 nan 8.270 nan 0.000 0.428 373 A N 1.661 124.422 122.820 -0.099 0.000 1.940 373 A HA -0.192 4.133 4.320 0.009 0.000 0.219 373 A C 1.992 179.521 177.584 -0.092 0.000 1.176 373 A CA 1.463 53.450 52.037 -0.085 0.000 0.631 373 A CB -0.275 18.679 19.000 -0.076 0.000 0.814 373 A HN 0.244 nan 8.150 nan 0.000 0.446 374 E N -0.348 119.771 120.200 -0.134 0.000 2.152 374 E HA -0.063 4.292 4.350 0.009 0.000 0.192 374 E C 2.009 178.544 176.600 -0.108 0.000 0.983 374 E CA 1.117 57.437 56.400 -0.133 0.000 0.818 374 E CB -0.312 29.266 29.700 -0.204 0.000 0.758 374 E HN 0.425 nan 8.360 nan 0.000 0.467 375 V N 0.775 120.619 119.914 -0.116 0.000 2.951 375 V HA -0.094 4.032 4.120 0.009 0.000 0.255 375 V C 2.321 178.384 176.094 -0.050 0.000 1.088 375 V CA 0.935 63.190 62.300 -0.075 0.000 1.109 375 V CB -0.276 31.500 31.823 -0.078 0.000 0.724 375 V HN 0.038 nan 8.190 nan 0.000 0.471 376 R N 0.800 121.268 120.500 -0.053 0.000 2.073 376 R HA 0.023 4.368 4.340 0.009 0.000 0.229 376 R C 2.263 178.545 176.300 -0.030 0.000 1.120 376 R CA 1.509 57.586 56.100 -0.039 0.000 0.967 376 R CB -0.637 29.639 30.300 -0.041 0.000 0.862 376 R HN 0.456 nan 8.270 nan 0.000 0.436 377 A N 0.467 123.267 122.820 -0.034 0.000 1.969 377 A HA -0.107 4.218 4.320 0.009 0.000 0.218 377 A C 2.082 179.660 177.584 -0.010 0.000 1.169 377 A CA 0.985 53.009 52.037 -0.022 0.000 0.635 377 A CB -0.575 18.408 19.000 -0.028 0.000 0.810 377 A HN 0.373 nan 8.150 nan 0.000 0.445 378 L N -0.478 120.737 121.223 -0.015 0.000 2.027 378 L HA -0.184 4.161 4.340 0.009 0.000 0.206 378 L C 2.449 179.327 176.870 0.012 0.000 1.074 378 L CA 2.033 56.872 54.840 -0.002 0.000 0.745 378 L CB -0.500 41.556 42.059 -0.005 0.000 0.898 378 L HN 0.519 nan 8.230 nan 0.000 0.433 379 E N -0.180 120.024 120.200 0.007 0.000 2.085 379 E HA -0.251 4.104 4.350 0.009 0.000 0.194 379 E C 1.830 178.455 176.600 0.042 0.000 0.994 379 E CA 1.463 57.874 56.400 0.018 0.000 0.801 379 E CB -0.049 29.649 29.700 -0.003 0.000 0.743 379 E HN 0.484 nan 8.360 nan 0.000 0.453 380 N N -0.054 118.663 118.700 0.028 0.000 2.084 380 N HA -0.105 4.641 4.740 0.009 0.000 0.190 380 N C 1.836 177.396 175.510 0.083 0.000 1.030 380 N CA 1.475 54.557 53.050 0.053 0.000 0.849 380 N CB -0.561 37.941 38.487 0.024 0.000 1.012 380 N HN 0.051 nan 8.380 nan 0.000 0.423 381 T N 0.517 115.100 114.554 0.047 0.000 2.708 381 T HA -0.054 4.301 4.350 0.009 0.000 0.266 381 T C 2.085 176.810 174.700 0.040 0.000 1.037 381 T CA 0.918 63.040 62.100 0.036 0.000 1.146 381 T CB -0.392 68.487 68.868 0.018 0.000 0.865 381 T HN -0.042 nan 8.240 nan 0.000 0.435 382 V N 1.031 120.974 119.914 0.049 0.000 2.332 382 V HA -0.235 3.891 4.120 0.009 0.000 0.248 382 V C 2.265 178.397 176.094 0.063 0.000 1.055 382 V CA 2.258 64.586 62.300 0.047 0.000 1.038 382 V CB -0.670 31.183 31.823 0.050 0.000 0.651 382 V HN 0.603 nan 8.190 nan 0.000 0.450 383 H N 0.321 119.391 119.070 0.000 0.000 2.353 383 H HA -0.149 4.412 4.556 0.009 0.000 0.300 383 H C 2.284 177.611 175.328 -0.002 0.000 1.090 383 H CA 2.223 58.271 56.048 -0.001 0.000 1.327 383 H CB -0.015 29.746 29.762 -0.002 0.000 1.383 383 H HN 0.508 nan 8.280 nan 0.000 0.508 384 E N -0.495 119.690 120.200 -0.024 0.000 2.077 384 E HA -0.135 4.220 4.350 0.009 0.000 0.193 384 E C 2.355 178.899 176.600 -0.093 0.000 0.989 384 E CA 1.306 57.657 56.400 -0.081 0.000 0.800 384 E CB 0.065 29.765 29.700 0.001 0.000 0.746 384 E HN 0.304 nan 8.360 nan 0.000 0.452 385 V N 1.151 121.035 119.914 -0.050 0.000 2.358 385 V HA -0.232 3.894 4.120 0.009 0.000 0.246 385 V C 2.646 178.709 176.094 -0.053 0.000 1.047 385 V CA 2.135 64.412 62.300 -0.038 0.000 1.035 385 V CB -0.720 31.095 31.823 -0.014 0.000 0.658 385 V HN 0.511 nan 8.190 nan 0.000 0.452 386 T N -2.088 112.425 114.554 -0.069 0.000 2.985 386 T HA -0.169 4.187 4.350 0.009 0.000 0.266 386 T C 1.901 176.545 174.700 -0.094 0.000 1.076 386 T CA 1.656 63.719 62.100 -0.061 0.000 1.135 386 T CB -0.579 68.268 68.868 -0.036 0.000 0.890 386 T HN 0.582 nan 8.240 nan 0.000 0.480 387 T N -0.372 114.076 114.554 -0.176 0.000 2.995 387 T HA 0.032 4.387 4.350 0.009 0.000 0.269 387 T C 2.236 176.880 174.700 -0.094 0.000 1.091 387 T CA 1.237 63.238 62.100 -0.165 0.000 1.128 387 T CB -0.791 67.919 68.868 -0.262 0.000 0.891 387 T HN 0.314 nan 8.240 nan 0.000 0.492 388 S N 0.918 116.572 115.700 -0.077 0.000 2.368 388 S HA 0.101 4.576 4.470 0.009 0.000 0.224 388 S C 1.872 176.464 174.600 -0.015 0.000 1.029 388 S CA 1.218 59.395 58.200 -0.038 0.000 0.988 388 S CB -0.423 62.758 63.200 -0.031 0.000 0.838 388 S HN 0.575 nan 8.310 nan 0.000 0.462 389 I N 1.094 121.654 120.570 -0.016 0.000 2.226 389 I HA -0.128 4.047 4.170 0.009 0.000 0.245 389 I C 2.679 178.809 176.117 0.022 0.000 1.100 389 I CA 1.074 62.375 61.300 0.002 0.000 1.374 389 I CB -1.149 36.849 38.000 -0.003 0.000 1.057 389 I HN 0.355 nan 8.210 nan 0.000 0.413 390 G N 1.430 110.235 108.800 0.008 0.000 2.586 390 G HA2 -0.288 3.678 3.960 0.009 0.000 0.218 390 G HA3 -0.288 3.678 3.960 0.009 0.000 0.218 390 G C 1.711 176.650 174.900 0.065 0.000 1.216 390 G CA 0.814 45.930 45.100 0.028 0.000 0.786 390 G HN 0.280 nan 8.290 nan 0.000 0.583 391 K N 0.075 120.491 120.400 0.027 0.000 2.074 391 K HA -0.126 4.200 4.320 0.009 0.000 0.209 391 K C 2.743 179.419 176.600 0.127 0.000 1.048 391 K CA 1.326 57.647 56.287 0.056 0.000 0.926 391 K CB -0.221 32.288 32.500 0.016 0.000 0.713 391 K HN 0.252 nan 8.250 nan 0.000 0.444 392 R N 0.326 120.879 120.500 0.089 0.000 2.090 392 R HA 0.014 4.360 4.340 0.009 0.000 0.228 392 R C 2.446 178.822 176.300 0.126 0.000 1.110 392 R CA 0.890 57.046 56.100 0.094 0.000 0.973 392 R CB -0.227 30.102 30.300 0.048 0.000 0.869 392 R HN 0.187 nan 8.270 nan 0.000 0.440 393 I N 0.028 120.669 120.570 0.119 0.000 2.163 393 I HA -0.291 3.885 4.170 0.009 0.000 0.240 393 I C 2.231 178.461 176.117 0.188 0.000 1.081 393 I CA 1.328 62.707 61.300 0.131 0.000 1.353 393 I CB -0.309 37.751 38.000 0.100 0.000 1.054 393 I HN 0.076 nan 8.210 nan 0.000 0.407 394 F N 1.751 121.735 119.950 0.056 0.000 2.095 394 F HA -0.315 4.218 4.527 0.009 0.000 0.298 394 F C 2.312 178.145 175.800 0.056 0.000 1.104 394 F CA 2.005 60.033 58.000 0.046 0.000 1.232 394 F CB -0.301 38.714 39.000 0.025 0.000 0.987 394 F HN 0.110 nan 8.300 nan 0.000 0.475 395 D N -1.148 119.432 120.400 0.300 0.000 2.310 395 D HA -0.228 4.418 4.640 0.009 0.000 0.212 395 D C 2.058 178.402 176.300 0.073 0.000 0.965 395 D CA 0.890 54.997 54.000 0.179 0.000 0.879 395 D CB -0.392 40.534 40.800 0.209 0.000 0.921 395 D HN 0.565 nan 8.370 nan 0.000 0.510 396 H N 0.413 119.488 119.070 0.009 0.000 2.284 396 H HA -0.018 4.543 4.556 0.009 0.000 0.304 396 H C 1.888 177.208 175.328 -0.013 0.000 1.069 396 H CA 1.536 57.590 56.048 0.012 0.000 1.327 396 H CB 0.105 29.885 29.762 0.030 0.000 1.387 396 H HN 0.101 nan 8.280 nan 0.000 0.498 397 A N 1.384 124.107 122.820 -0.161 0.000 1.892 397 A HA -0.192 4.133 4.320 0.009 0.000 0.218 397 A C 2.446 179.851 177.584 -0.298 0.000 1.188 397 A CA 1.822 53.699 52.037 -0.266 0.000 0.631 397 A CB -0.896 17.980 19.000 -0.208 0.000 0.822 397 A HN 0.467 nan 8.150 nan 0.000 0.447 398 I N -1.313 119.003 120.570 -0.423 0.000 2.614 398 I HA -0.055 4.121 4.170 0.009 0.000 0.258 398 I C 2.021 178.032 176.117 -0.177 0.000 1.189 398 I CA 1.136 62.210 61.300 -0.376 0.000 1.462 398 I CB -0.225 37.443 38.000 -0.552 0.000 1.092 398 I HN 0.146 nan 8.210 nan 0.000 0.442 399 R N -1.160 119.251 120.500 -0.147 0.000 2.297 399 R HA 0.053 4.399 4.340 0.009 0.000 0.197 399 R C -0.066 176.180 176.300 -0.089 0.000 0.943 399 R CA -0.063 55.982 56.100 -0.091 0.000 1.038 399 R CB -0.465 29.796 30.300 -0.065 0.000 0.957 399 R HN 0.293 nan 8.270 nan 0.000 0.484 400 Y N 1.434 121.590 120.300 -0.240 0.000 2.526 400 Y HA 0.156 4.711 4.550 0.009 0.000 0.330 400 Y C -1.558 174.263 175.900 -0.131 0.000 1.156 400 Y CA -2.137 55.833 58.100 -0.218 0.000 1.419 400 Y CB 0.332 38.637 38.460 -0.259 0.000 1.250 400 Y HN 0.107 nan 8.280 nan 0.000 0.540 416 L N 3.778 124.990 121.223 -0.019 0.000 2.529 416 L HA 0.287 4.632 4.340 0.009 0.000 0.223 416 L C 0.531 177.395 176.870 -0.011 0.000 1.113 416 L CA 0.332 55.161 54.840 -0.018 0.000 0.861 416 L CB 0.326 42.375 42.059 -0.017 0.000 1.012 416 L HN 0.473 nan 8.230 nan 0.000 0.461 417 L N 2.188 123.406 121.223 -0.009 0.000 2.283 417 L HA 0.156 4.501 4.340 0.009 0.000 0.287 417 L C 0.378 177.245 176.870 -0.005 0.000 1.073 417 L CA -0.217 54.620 54.840 -0.006 0.000 0.822 417 L CB 0.711 42.768 42.059 -0.004 0.000 1.186 417 L HN 0.183 nan 8.230 nan 0.000 0.436 418 K N 1.132 121.530 120.400 -0.004 0.000 2.149 418 K HA 0.160 4.485 4.320 0.009 0.000 0.245 418 K C 1.104 177.703 176.600 -0.002 0.000 1.024 418 K CA -0.231 56.054 56.287 -0.003 0.000 0.899 418 K CB 0.422 32.921 32.500 -0.002 0.000 1.038 418 K HN 0.527 nan 8.250 nan 0.000 0.496 419 S N -0.214 115.485 115.700 -0.002 0.000 2.399 419 S HA -0.218 4.257 4.470 0.009 0.000 0.231 419 S C 2.182 176.782 174.600 -0.001 0.000 1.022 419 S CA 1.306 59.505 58.200 -0.001 0.000 0.983 419 S CB -0.443 62.757 63.200 -0.001 0.000 0.803 419 S HN 0.730 nan 8.310 nan 0.000 0.480 420 S N 2.085 117.785 115.700 -0.001 0.000 2.370 420 S HA -0.197 4.278 4.470 0.009 0.000 0.226 420 S C 1.531 176.130 174.600 -0.001 0.000 1.033 420 S CA 1.625 59.825 58.200 -0.001 0.000 1.011 420 S CB -0.684 62.515 63.200 -0.001 0.000 0.852 420 S HN 0.540 nan 8.310 nan 0.000 0.457 421 D N 0.717 121.116 120.400 -0.002 0.000 2.162 421 D HA 0.023 4.669 4.640 0.009 0.000 0.203 421 D C 2.069 178.369 176.300 -0.000 0.000 0.967 421 D CA 0.763 54.762 54.000 -0.002 0.000 0.840 421 D CB -0.258 40.539 40.800 -0.004 0.000 0.972 421 D HN 0.464 nan 8.370 nan 0.000 0.482 422 K N 0.596 120.996 120.400 -0.000 0.000 2.063 422 K HA -0.101 4.224 4.320 0.009 0.000 0.208 422 K C 2.152 178.753 176.600 0.002 0.000 1.048 422 K CA 0.650 56.938 56.287 0.001 0.000 0.928 422 K CB -0.115 32.386 32.500 0.000 0.000 0.713 422 K HN -0.037 nan 8.250 nan 0.000 0.442 423 V N 2.273 122.188 119.914 0.001 0.000 2.295 423 V HA -0.284 3.842 4.120 0.009 0.000 0.246 423 V C 2.283 178.378 176.094 0.001 0.000 1.049 423 V CA 2.035 64.335 62.300 0.001 0.000 1.024 423 V CB -0.398 31.425 31.823 0.001 0.000 0.648 423 V HN 0.436 nan 8.190 nan 0.000 0.447 424 M N -1.636 117.964 119.600 0.001 0.000 2.254 424 M HA -0.083 4.403 4.480 0.009 0.000 0.265 424 M C 2.211 178.512 176.300 0.003 0.000 1.066 424 M CA 1.872 57.173 55.300 0.002 0.000 1.123 424 M CB -0.716 31.885 32.600 0.002 0.000 1.388 424 M HN 0.170 nan 8.290 nan 0.000 0.425 425 L N 0.911 122.137 121.223 0.004 0.000 2.012 425 L HA -0.209 4.136 4.340 0.009 0.000 0.210 425 L C 2.937 179.811 176.870 0.007 0.000 1.073 425 L CA 1.797 56.641 54.840 0.006 0.000 0.748 425 L CB -0.490 41.572 42.059 0.006 0.000 0.891 425 L HN 0.428 nan 8.230 nan 0.000 0.431 426 K N 0.063 120.466 120.400 0.005 0.000 2.026 426 K HA -0.269 4.056 4.320 0.009 0.000 0.208 426 K C 2.289 178.892 176.600 0.005 0.000 1.048 426 K CA 1.636 57.926 56.287 0.006 0.000 0.929 426 K CB -0.103 32.400 32.500 0.005 0.000 0.713 426 K HN 0.111 nan 8.250 nan 0.000 0.439 427 R N 0.408 120.909 120.500 0.003 0.000 2.083 427 R HA -0.112 4.233 4.340 0.009 0.000 0.237 427 R C 2.219 178.519 176.300 -0.000 0.000 1.137 427 R CA 1.490 57.591 56.100 0.001 0.000 0.951 427 R CB -0.057 30.242 30.300 -0.001 0.000 0.851 427 R HN 0.133 nan 8.270 nan 0.000 0.434 428 R N 0.314 120.814 120.500 -0.000 0.000 2.120 428 R HA -0.081 4.264 4.340 0.009 0.000 0.234 428 R C 2.236 178.537 176.300 0.001 0.000 1.123 428 R CA 1.264 57.362 56.100 -0.003 0.000 0.975 428 R CB -0.373 29.927 30.300 -0.001 0.000 0.866 428 R HN 0.419 nan 8.270 nan 0.000 0.446 429 I N 0.587 121.162 120.570 0.009 0.000 2.500 429 I HA -0.168 4.007 4.170 0.009 0.000 0.252 429 I C 2.126 178.255 176.117 0.021 0.000 1.142 429 I CA 0.706 62.017 61.300 0.018 0.000 1.451 429 I CB -0.133 37.878 38.000 0.020 0.000 1.093 429 I HN 0.040 nan 8.210 nan 0.000 0.430 430 L N 0.630 121.862 121.223 0.014 0.000 2.291 430 L HA -0.079 4.267 4.340 0.009 0.000 0.214 430 L C 2.662 179.541 176.870 0.015 0.000 1.120 430 L CA 0.740 55.589 54.840 0.015 0.000 0.799 430 L CB -0.504 41.560 42.059 0.010 0.000 0.925 430 L HN 0.212 nan 8.230 nan 0.000 0.446 431 A N -0.266 122.557 122.820 0.005 0.000 2.168 431 A HA -0.035 4.290 4.320 0.009 0.000 0.215 431 A C 2.140 179.722 177.584 -0.003 0.000 1.152 431 A CA 0.884 52.915 52.037 -0.009 0.000 0.716 431 A CB -0.300 18.682 19.000 -0.029 0.000 0.794 431 A HN 0.392 nan 8.150 nan 0.000 0.465 432 L N -1.146 120.097 121.223 0.033 0.000 2.249 432 L HA 0.079 4.425 4.340 0.009 0.000 0.207 432 L C 1.506 178.496 176.870 0.200 0.000 1.090 432 L CA -0.130 54.775 54.840 0.108 0.000 0.802 432 L CB -0.260 41.860 42.059 0.102 0.000 0.947 432 L HN 0.379 nan 8.230 nan 0.000 0.453 433 R N 2.633 123.195 120.500 0.104 0.000 2.523 433 R HA -0.062 4.283 4.340 0.009 0.000 0.281 433 R C -0.200 176.152 176.300 0.087 0.000 0.969 433 R CA 0.248 56.393 56.100 0.076 0.000 1.093 433 R CB 0.371 30.697 30.300 0.043 0.000 0.917 433 R HN 0.279 nan 8.270 nan 0.000 0.408 434 R N 4.423 124.947 120.500 0.040 0.000 2.664 434 R HA 0.498 4.844 4.340 0.009 0.000 0.286 434 R C -2.503 173.794 176.300 -0.004 0.000 0.967 434 R CA -2.182 53.928 56.100 0.016 0.000 0.933 434 R CB 0.660 30.909 30.300 -0.086 0.000 1.146 434 R HN 0.399 nan 8.270 nan 0.000 0.468 435 P HA -0.150 nan 4.420 nan 0.000 0.263 435 P C -0.678 176.613 177.300 -0.016 0.000 1.162 435 P CA 0.457 63.553 63.100 -0.007 0.000 0.758 435 P CB 0.390 32.084 31.700 -0.010 0.000 0.773 436 E N 1.123 121.316 120.200 -0.012 0.000 2.452 436 E HA 0.210 4.566 4.350 0.009 0.000 0.261 436 E C 1.411 177.999 176.600 -0.020 0.000 0.987 436 E CA 1.141 57.533 56.400 -0.013 0.000 0.926 436 E CB -0.169 29.526 29.700 -0.008 0.000 0.934 436 E HN 0.743 nan 8.360 nan 0.000 0.452 437 G N 2.908 111.696 108.800 -0.021 0.000 2.189 437 G HA2 -0.392 3.573 3.960 0.009 0.000 0.267 437 G HA3 -0.392 3.573 3.960 0.009 0.000 0.267 437 G C 0.253 175.129 174.900 -0.040 0.000 0.975 437 G CA 0.735 45.819 45.100 -0.026 0.000 0.644 437 G HN 0.575 nan 8.290 nan 0.000 0.537 438 Q N 0.307 120.080 119.800 -0.046 0.000 2.288 438 Q HA 0.651 4.996 4.340 0.009 0.000 0.258 438 Q C 0.192 176.145 176.000 -0.078 0.000 0.957 438 Q CA -0.575 55.191 55.803 -0.063 0.000 0.919 438 Q CB 0.438 29.140 28.738 -0.060 0.000 1.185 438 Q HN 0.452 nan 8.270 nan 0.000 0.408 439 L N 5.246 126.420 121.223 -0.082 0.000 2.334 439 L HA 0.550 4.895 4.340 0.009 0.000 0.270 439 L C -2.100 174.677 176.870 -0.155 0.000 1.018 439 L CA -2.745 52.047 54.840 -0.081 0.000 0.811 439 L CB 1.572 43.617 42.059 -0.024 0.000 1.271 439 L HN 0.651 nan 8.230 nan 0.000 0.443 440 P HA 0.107 nan 4.420 nan 0.000 0.266 440 P C -2.430 174.707 177.300 -0.271 0.000 1.215 440 P CA -0.817 61.994 63.100 -0.480 0.000 0.763 440 P CB -0.104 31.086 31.700 -0.850 0.000 0.806 441 P HA -0.056 nan 4.420 nan 0.000 0.266 441 P C 0.945 178.378 177.300 0.222 0.000 1.186 441 P CA 0.412 63.539 63.100 0.045 0.000 0.767 441 P CB 0.210 31.966 31.700 0.092 0.000 0.820 442 I N -0.120 120.590 120.570 0.233 0.000 3.793 442 I HA 0.238 4.414 4.170 0.009 0.000 0.315 442 I C 0.280 176.572 176.117 0.292 0.000 1.275 442 I CA 0.286 61.746 61.300 0.266 0.000 1.214 442 I CB 0.233 38.390 38.000 0.261 0.000 1.018 442 I HN -0.007 nan 8.210 nan 0.000 0.439 443 V N 1.110 121.185 119.914 0.268 0.000 2.888 443 V HA 0.303 4.429 4.120 0.009 0.000 0.309 443 V C 1.063 177.296 176.094 0.232 0.000 1.114 443 V CA 0.169 62.594 62.300 0.209 0.000 0.940 443 V CB 2.363 34.264 31.823 0.130 0.000 1.021 443 V HN 0.388 nan 8.190 nan 0.000 0.426 444 T N 1.420 116.114 114.554 0.235 0.000 3.065 444 T HA 0.299 4.654 4.350 0.009 0.000 0.252 444 T C 0.459 175.299 174.700 0.233 0.000 1.099 444 T CA 0.665 62.977 62.100 0.352 0.000 1.063 444 T CB -0.230 68.944 68.868 0.509 0.000 0.948 444 T HN 0.709 nan 8.240 nan 0.000 0.506 445 H N 0.524 119.544 119.070 -0.082 0.000 2.812 445 H HA 0.578 5.139 4.556 0.009 0.000 0.355 445 H C -0.530 174.737 175.328 -0.103 0.000 1.207 445 H CA -1.256 54.696 56.048 -0.161 0.000 1.217 445 H CB 0.813 30.362 29.762 -0.355 0.000 1.874 445 H HN -0.020 nan 8.280 nan 0.000 0.581 446 N N 1.845 120.554 118.700 0.015 0.000 2.406 446 N HA 0.091 4.836 4.740 0.009 0.000 0.251 446 N C -0.600 174.911 175.510 0.002 0.000 1.069 446 N CA -0.264 52.791 53.050 0.007 0.000 0.947 446 N CB 0.502 38.985 38.487 -0.007 0.000 1.111 446 N HN 0.347 nan 8.380 nan 0.000 0.497 447 M N 1.917 121.522 119.600 0.009 0.000 2.188 447 M HA 0.099 4.584 4.480 0.009 0.000 0.354 447 M C 0.732 177.044 176.300 0.019 0.000 1.342 447 M CA -0.363 54.944 55.300 0.012 0.000 1.117 447 M CB 0.449 33.077 32.600 0.045 0.000 1.670 447 M HN 0.091 nan 8.290 nan 0.000 0.466 448 V N 2.697 122.620 119.914 0.014 0.000 3.351 448 V HA 0.035 4.160 4.120 0.009 0.000 0.364 448 V C 0.273 176.380 176.094 0.021 0.000 1.219 448 V CA 0.579 62.887 62.300 0.014 0.000 1.382 448 V CB -1.562 30.265 31.823 0.008 0.000 1.203 448 V HN 0.944 nan 8.190 nan 0.000 0.448 449 D N -0.740 119.679 120.400 0.031 0.000 4.569 449 D HA -0.061 4.584 4.640 0.009 0.000 0.176 449 D C 0.895 177.224 176.300 0.049 0.000 1.237 449 D CA -0.106 53.914 54.000 0.033 0.000 1.009 449 D CB -0.468 40.348 40.800 0.027 0.000 1.341 449 D HN 0.195 nan 8.370 nan 0.000 0.874 450 D N -0.071 120.360 120.400 0.051 0.000 2.190 450 D HA -0.176 4.470 4.640 0.009 0.000 0.200 450 D C 1.617 177.957 176.300 0.067 0.000 0.992 450 D CA 1.345 55.386 54.000 0.068 0.000 0.854 450 D CB 0.461 41.297 40.800 0.059 0.000 0.936 450 D HN 0.438 nan 8.370 nan 0.000 0.462 451 A N 0.216 123.065 122.820 0.047 0.000 1.975 451 A HA -0.049 4.277 4.320 0.009 0.000 0.215 451 A C 1.818 179.421 177.584 0.031 0.000 1.170 451 A CA 0.641 52.702 52.037 0.040 0.000 0.656 451 A CB 0.057 19.076 19.000 0.030 0.000 0.821 451 A HN 0.119 nan 8.150 nan 0.000 0.449 452 N N 0.177 118.892 118.700 0.025 0.000 2.325 452 N HA 0.054 4.800 4.740 0.009 0.000 0.182 452 N C -0.311 175.196 175.510 -0.005 0.000 1.088 452 N CA 0.082 53.135 53.050 0.005 0.000 0.879 452 N CB -0.177 38.309 38.487 -0.002 0.000 0.983 452 N HN 0.545 nan 8.380 nan 0.000 0.471 453 D N 0.107 120.527 120.400 0.033 0.000 2.493 453 D HA 0.008 4.653 4.640 0.009 0.000 0.240 453 D C 1.300 177.596 176.300 -0.007 0.000 1.142 453 D CA 0.123 54.161 54.000 0.064 0.000 0.872 453 D CB 0.824 41.733 40.800 0.182 0.000 1.173 453 D HN -0.020 nan 8.370 nan 0.000 0.467 454 L N 4.105 125.278 121.223 -0.084 0.000 2.072 454 L HA -0.117 4.228 4.340 0.009 0.000 0.205 454 L C 2.017 178.653 176.870 -0.391 0.000 1.079 454 L CA 0.445 55.039 54.840 -0.410 0.000 0.752 454 L CB -0.259 41.345 42.059 -0.758 0.000 0.906 454 L HN 0.658 nan 8.230 nan 0.000 0.436 455 I N -0.311 120.190 120.570 -0.115 0.000 2.133 455 I HA -0.291 3.884 4.170 0.009 0.000 0.238 455 I C 2.539 178.624 176.117 -0.055 0.000 1.074 455 I CA 1.583 62.805 61.300 -0.131 0.000 1.342 455 I CB -0.821 36.857 38.000 -0.536 0.000 1.053 455 I HN 0.242 nan 8.210 nan 0.000 0.404 456 L N 0.814 122.075 121.223 0.062 0.000 1.997 456 L HA -0.292 4.053 4.340 0.009 0.000 0.216 456 L C 2.405 179.326 176.870 0.085 0.000 1.074 456 L CA 1.671 56.596 54.840 0.143 0.000 0.763 456 L CB -0.766 41.423 42.059 0.216 0.000 0.890 456 L HN 0.336 nan 8.230 nan 0.000 0.434 457 N N -0.387 118.340 118.700 0.045 0.000 2.205 457 N HA -0.191 4.554 4.740 0.009 0.000 0.186 457 N C 1.782 177.303 175.510 0.019 0.000 1.015 457 N CA 0.990 54.059 53.050 0.030 0.000 0.862 457 N CB -0.196 38.290 38.487 -0.002 0.000 0.986 457 N HN 0.194 nan 8.380 nan 0.000 0.429 458 K N 1.407 121.810 120.400 0.006 0.000 2.167 458 K HA 0.028 4.353 4.320 0.009 0.000 0.203 458 K C 1.868 178.470 176.600 0.004 0.000 1.052 458 K CA 0.329 56.641 56.287 0.042 0.000 0.956 458 K CB 0.003 32.592 32.500 0.149 0.000 0.735 458 K HN 0.367 nan 8.250 nan 0.000 0.451 459 I N -2.469 118.091 120.570 -0.016 0.000 2.876 459 I HA -0.089 4.086 4.170 0.009 0.000 0.264 459 I C 1.759 177.754 176.117 -0.203 0.000 1.204 459 I CA 0.543 61.789 61.300 -0.091 0.000 1.485 459 I CB -0.126 37.838 38.000 -0.060 0.000 1.103 459 I HN -0.061 nan 8.210 nan 0.000 0.446 460 R N 0.953 121.409 120.500 -0.074 0.000 2.066 460 R HA -0.154 4.191 4.340 0.009 0.000 0.232 460 R C 2.505 178.781 176.300 -0.041 0.000 1.131 460 R CA 1.768 57.858 56.100 -0.015 0.000 0.955 460 R CB -0.514 29.897 30.300 0.186 0.000 0.851 460 R HN 0.491 nan 8.270 nan 0.000 0.432 461 Q N 1.004 120.798 119.800 -0.011 0.000 2.135 461 Q HA -0.136 4.209 4.340 0.009 0.000 0.204 461 Q C 1.742 177.721 176.000 -0.036 0.000 0.981 461 Q CA 2.095 57.899 55.803 0.001 0.000 0.856 461 Q CB 0.164 28.912 28.738 0.017 0.000 0.902 461 Q HN 0.390 nan 8.270 nan 0.000 0.425 462 V N -2.411 117.448 119.914 -0.092 0.000 3.649 462 V HA 0.113 4.238 4.120 0.009 0.000 0.275 462 V C 0.348 176.338 176.094 -0.174 0.000 1.281 462 V CA 0.416 62.655 62.300 -0.101 0.000 1.143 462 V CB -0.385 31.382 31.823 -0.094 0.000 0.892 462 V HN 0.339 nan 8.190 nan 0.000 0.441 463 Q N 0.323 119.926 119.800 -0.328 0.000 2.452 463 Q HA -0.180 4.165 4.340 0.009 0.000 0.318 463 Q C -0.301 175.391 176.000 -0.514 0.000 1.386 463 Q CA 0.594 56.067 55.803 -0.550 0.000 0.872 463 Q CB -1.612 27.078 28.738 -0.080 0.000 1.151 463 Q HN 0.690 nan 8.270 nan 0.000 0.417 464 L N 0.817 121.693 121.223 -0.578 0.000 2.288 464 L HA 0.235 4.580 4.340 0.009 0.000 0.283 464 L C 0.318 176.988 176.870 -0.334 0.000 1.072 464 L CA -0.173 54.479 54.840 -0.313 0.000 0.862 464 L CB 0.108 42.050 42.059 -0.194 0.000 1.245 464 L HN 0.221 nan 8.230 nan 0.000 0.432 465 F N 1.279 121.253 119.950 0.040 0.000 2.661 465 F HA 0.230 4.763 4.527 0.009 0.000 0.306 465 F C 0.978 176.807 175.800 0.048 0.000 1.094 465 F CA -0.536 57.490 58.000 0.043 0.000 1.254 465 F CB -0.052 38.967 39.000 0.032 0.000 1.040 465 F HN 0.485 nan 8.300 nan 0.000 0.562 466 N N -0.276 118.545 118.700 0.202 0.000 2.901 466 N HA -0.173 4.572 4.740 0.009 0.000 0.248 466 N C 0.160 175.785 175.510 0.193 0.000 1.044 466 N CA 0.952 54.123 53.050 0.202 0.000 0.847 466 N CB -1.602 36.991 38.487 0.178 0.000 1.127 466 N HN 0.324 nan 8.380 nan 0.000 0.562 467 S N -0.467 115.329 115.700 0.161 0.000 2.579 467 S HA 0.347 4.822 4.470 0.009 0.000 0.275 467 S C -1.277 173.394 174.600 0.119 0.000 1.345 467 S CA -0.869 57.407 58.200 0.127 0.000 1.031 467 S CB 1.373 64.637 63.200 0.107 0.000 0.892 467 S HN -0.109 nan 8.310 nan 0.000 0.529 468 P HA -0.059 nan 4.420 nan 0.000 0.219 468 P C 1.249 178.586 177.300 0.061 0.000 1.146 468 P CA 1.133 64.301 63.100 0.112 0.000 0.808 468 P CB -0.143 31.613 31.700 0.092 0.000 0.779 469 S N -1.287 114.437 115.700 0.040 0.000 2.383 469 S HA -0.071 4.404 4.470 0.009 0.000 0.227 469 S C 0.726 175.319 174.600 -0.011 0.000 1.026 469 S CA 0.763 58.968 58.200 0.008 0.000 0.981 469 S CB -1.007 62.195 63.200 0.004 0.000 0.818 469 S HN 0.194 nan 8.310 nan 0.000 0.472 470 D N 1.327 121.730 120.400 0.004 0.000 2.472 470 D HA 0.132 4.778 4.640 0.009 0.000 0.248 470 D C 0.873 177.133 176.300 -0.065 0.000 1.174 470 D CA 0.248 54.237 54.000 -0.018 0.000 0.883 470 D CB 0.694 41.504 40.800 0.016 0.000 1.149 470 D HN 0.017 nan 8.370 nan 0.000 0.488 471 R N 1.587 122.031 120.500 -0.093 0.000 2.223 471 R HA 0.065 4.411 4.340 0.009 0.000 0.198 471 R C 0.168 176.352 176.300 -0.192 0.000 0.984 471 R CA 0.148 56.161 56.100 -0.144 0.000 1.018 471 R CB 0.400 30.630 30.300 -0.116 0.000 0.945 471 R HN 0.386 nan 8.270 nan 0.000 0.479 472 V N -0.212 119.610 119.914 -0.154 0.000 2.398 472 V HA 0.556 4.681 4.120 0.009 0.000 0.286 472 V C -0.850 175.172 176.094 -0.119 0.000 1.026 472 V CA -1.042 61.153 62.300 -0.175 0.000 0.868 472 V CB 1.751 33.473 31.823 -0.167 0.000 0.982 472 V HN -0.102 nan 8.190 nan 0.000 0.443 473 K N 4.723 125.055 120.400 -0.113 0.000 2.118 473 K HA 0.679 5.004 4.320 0.009 0.000 0.254 473 K C -0.847 175.779 176.600 0.044 0.000 0.961 473 K CA -0.834 55.473 56.287 0.034 0.000 0.876 473 K CB 1.992 34.571 32.500 0.131 0.000 1.077 473 K HN 0.791 nan 8.250 nan 0.000 0.440 474 M N 2.398 122.064 119.600 0.110 0.000 2.321 474 M HA 0.440 4.925 4.480 0.009 0.000 0.315 474 M C -1.491 174.889 176.300 0.133 0.000 1.052 474 M CA -0.642 54.708 55.300 0.083 0.000 0.936 474 M CB 1.152 33.789 32.600 0.061 0.000 1.639 474 M HN 0.411 nan 8.290 nan 0.000 0.433 475 I N 5.753 126.389 120.570 0.110 0.000 2.540 475 I HA 0.226 4.401 4.170 0.009 0.000 0.280 475 I C -1.467 174.846 176.117 0.325 0.000 1.083 475 I CA -0.416 60.977 61.300 0.155 0.000 1.080 475 I CB 1.025 39.005 38.000 -0.035 0.000 1.205 475 I HN 0.556 nan 8.210 nan 0.000 0.459 476 F N 6.790 126.836 119.950 0.161 0.000 2.411 476 F HA 0.348 4.881 4.527 0.010 0.000 0.355 476 F C 0.092 175.991 175.800 0.164 0.000 1.117 476 F CA -0.331 57.758 58.000 0.147 0.000 1.139 476 F CB 0.400 39.461 39.000 0.101 0.000 1.120 476 F HN 0.383 nan 8.300 nan 0.000 0.493 477 H N 8.582 127.738 119.070 0.144 0.000 2.530 477 H HA 0.327 4.888 4.556 0.009 0.000 0.246 477 H C -2.451 172.636 175.328 -0.402 0.000 1.346 477 H CA -2.123 53.829 56.048 -0.159 0.000 1.424 477 H CB 1.126 30.855 29.762 -0.054 0.000 1.445 477 H HN 0.345 nan 8.280 nan 0.000 0.511 478 P HA 0.088 nan 4.420 nan 0.000 0.238 478 P C -0.274 176.624 177.300 -0.670 0.000 1.714 478 P CA 0.359 63.019 63.100 -0.732 0.000 0.908 478 P CB 0.019 31.185 31.700 -0.889 0.000 1.893 479 E N -0.214 119.654 120.200 -0.554 0.000 2.401 479 E HA 0.416 4.771 4.350 0.009 0.000 0.280 479 E C -1.080 175.444 176.600 -0.125 0.000 1.039 479 E CA -0.887 55.286 56.400 -0.380 0.000 0.814 479 E CB 0.486 29.915 29.700 -0.452 0.000 1.275 479 E HN -0.176 nan 8.360 nan 0.000 0.448 480 F N 1.087 121.045 119.950 0.014 0.000 2.539 480 F HA 0.227 4.759 4.527 0.009 0.000 0.340 480 F C 0.637 176.490 175.800 0.089 0.000 1.185 480 F CA 0.174 58.195 58.000 0.036 0.000 1.333 480 F CB 0.357 39.359 39.000 0.003 0.000 1.152 480 F HN 0.248 nan 8.300 nan 0.000 0.602 481 L N 3.157 124.515 121.223 0.225 0.000 2.276 481 L HA 0.319 4.665 4.340 0.009 0.000 0.286 481 L C -0.232 176.709 176.870 0.118 0.000 1.061 481 L CA -0.357 54.532 54.840 0.083 0.000 0.807 481 L CB 0.462 42.468 42.059 -0.088 0.000 1.177 481 L HN 0.575 nan 8.230 nan 0.000 0.429 482 N N 1.475 120.238 118.700 0.106 0.000 2.238 482 N HA 0.315 5.060 4.740 0.009 0.000 0.302 482 N C 0.367 175.907 175.510 0.049 0.000 1.072 482 N CA -0.358 52.739 53.050 0.079 0.000 0.792 482 N CB 2.309 40.851 38.487 0.091 0.000 1.425 482 N HN 0.630 nan 8.380 nan 0.000 0.478 483 A N 1.745 124.582 122.820 0.028 0.000 2.172 483 A HA -0.150 4.176 4.320 0.009 0.000 0.216 483 A C 1.050 178.642 177.584 0.014 0.000 1.154 483 A CA 1.118 53.160 52.037 0.010 0.000 0.701 483 A CB -0.782 18.220 19.000 0.003 0.000 0.789 483 A HN 0.838 nan 8.150 nan 0.000 0.465 484 N N -0.767 117.951 118.700 0.030 0.000 2.295 484 N HA 0.066 4.812 4.740 0.009 0.000 0.221 484 N C -0.454 175.085 175.510 0.048 0.000 1.129 484 N CA -0.358 52.710 53.050 0.030 0.000 0.836 484 N CB 0.035 38.541 38.487 0.032 0.000 1.040 484 N HN 0.116 nan 8.380 nan 0.000 0.494 485 N N 1.020 119.754 118.700 0.056 0.000 2.473 485 N HA 0.224 4.969 4.740 0.009 0.000 0.291 485 N C -1.641 173.838 175.510 -0.052 0.000 1.083 485 N CA -2.091 51.002 53.050 0.073 0.000 0.951 485 N CB 1.510 40.119 38.487 0.204 0.000 1.164 485 N HN -0.019 nan 8.380 nan 0.000 0.480 486 P HA -0.016 nan 4.420 nan 0.000 0.222 486 P C 0.743 177.894 177.300 -0.248 0.000 1.147 486 P CA 0.717 63.673 63.100 -0.240 0.000 0.790 486 P CB 0.533 32.016 31.700 -0.362 0.000 0.780 487 I N -1.766 118.607 120.570 -0.329 0.000 3.700 487 I HA 0.047 4.223 4.170 0.009 0.000 0.232 487 I C 0.725 176.907 176.117 0.107 0.000 1.033 487 I CA 0.506 61.769 61.300 -0.060 0.000 1.525 487 I CB -0.681 37.292 38.000 -0.045 0.000 1.411 487 I HN -0.224 nan 8.210 nan 0.000 0.458 488 L N 1.743 122.946 121.223 -0.032 0.000 2.314 488 L HA 0.455 4.800 4.340 0.009 0.000 0.275 488 L C 0.740 177.540 176.870 -0.117 0.000 1.068 488 L CA -0.405 54.314 54.840 -0.201 0.000 0.894 488 L CB -0.272 41.426 42.059 -0.602 0.000 1.275 488 L HN 0.300 nan 8.230 nan 0.000 0.432 489 G N 5.900 114.674 108.800 -0.043 0.000 3.263 489 G HA2 0.247 4.213 3.960 0.009 0.000 0.246 489 G HA3 0.247 4.213 3.960 0.009 0.000 0.246 489 G C 0.074 174.952 174.900 -0.037 0.000 0.982 489 G CA -0.074 45.010 45.100 -0.027 0.000 1.897 489 G HN 0.462 nan 8.290 nan 0.000 0.624 490 L N -0.334 120.849 121.223 -0.066 0.000 2.341 490 L HA 0.465 4.810 4.340 0.009 0.000 0.267 490 L C -0.739 176.112 176.870 -0.032 0.000 1.009 490 L CA -1.258 53.550 54.840 -0.053 0.000 0.819 490 L CB 2.206 44.228 42.059 -0.061 0.000 1.323 490 L HN -0.037 nan 8.230 nan 0.000 0.425 491 D N -0.394 120.005 120.400 -0.001 0.000 2.283 491 D HA 0.066 4.711 4.640 0.009 0.000 0.248 491 D C 0.464 176.807 176.300 0.072 0.000 1.072 491 D CA -0.191 53.834 54.000 0.042 0.000 0.929 491 D CB 1.335 42.161 40.800 0.042 0.000 1.182 491 D HN 0.403 nan 8.370 nan 0.000 0.433 492 Y N 1.959 122.266 120.300 0.011 0.000 2.069 492 Y HA -0.325 4.230 4.550 0.009 0.000 0.278 492 Y C 1.939 177.875 175.900 0.060 0.000 1.175 492 Y CA 2.535 60.657 58.100 0.037 0.000 1.134 492 Y CB 0.002 38.507 38.460 0.075 0.000 0.965 492 Y HN 0.524 nan 8.280 nan 0.000 0.498 493 D N -0.586 119.856 120.400 0.070 0.000 2.182 493 D HA -0.233 4.413 4.640 0.009 0.000 0.201 493 D C 1.599 177.841 176.300 -0.097 0.000 0.986 493 D CA 1.827 55.817 54.000 -0.016 0.000 0.847 493 D CB -0.474 40.401 40.800 0.124 0.000 0.942 493 D HN 0.641 nan 8.370 nan 0.000 0.467 494 E N -0.310 119.852 120.200 -0.063 0.000 2.028 494 E HA -0.123 4.232 4.350 0.009 0.000 0.191 494 E C 2.004 178.515 176.600 -0.149 0.000 0.988 494 E CA 0.771 57.125 56.400 -0.077 0.000 0.799 494 E CB -0.355 29.320 29.700 -0.043 0.000 0.755 494 E HN 0.279 nan 8.360 nan 0.000 0.447 495 F N 1.559 121.306 119.950 -0.339 0.000 2.091 495 F HA -0.270 4.263 4.527 0.009 0.000 0.299 495 F C 2.119 177.574 175.800 -0.574 0.000 1.103 495 F CA 1.234 58.946 58.000 -0.479 0.000 1.228 495 F CB -0.420 38.246 39.000 -0.555 0.000 0.984 495 F HN -0.192 nan 8.300 nan 0.000 0.477 496 V N 1.199 120.684 119.914 -0.714 0.000 2.287 496 V HA -0.341 3.785 4.120 0.009 0.000 0.248 496 V C 2.585 178.420 176.094 -0.432 0.000 1.053 496 V CA 2.433 64.257 62.300 -0.792 0.000 1.027 496 V CB -0.715 30.739 31.823 -0.616 0.000 0.646 496 V HN 0.321 nan 8.190 nan 0.000 0.447 497 R N 0.028 120.368 120.500 -0.267 0.000 2.081 497 R HA -0.109 4.237 4.340 0.009 0.000 0.235 497 R C 2.443 178.701 176.300 -0.070 0.000 1.131 497 R CA 1.414 57.453 56.100 -0.103 0.000 0.960 497 R CB -0.877 29.395 30.300 -0.048 0.000 0.856 497 R HN 0.600 nan 8.270 nan 0.000 0.436 498 G N 0.695 109.347 108.800 -0.247 0.000 2.479 498 G HA2 -0.203 3.763 3.960 0.009 0.000 0.220 498 G HA3 -0.203 3.763 3.960 0.009 0.000 0.220 498 G C 0.668 175.396 174.900 -0.288 0.000 1.115 498 G CA 0.398 45.312 45.100 -0.309 0.000 0.757 498 G HN 0.249 nan 8.290 nan 0.000 0.560 499 C N -1.264 117.850 119.300 -0.311 0.000 2.517 499 C HA 0.525 4.990 4.460 0.009 0.000 0.357 499 C C 1.587 176.587 174.990 0.017 0.000 1.485 499 C CA -0.573 58.362 59.018 -0.139 0.000 2.148 499 C CB 0.827 28.431 27.740 -0.227 0.000 2.019 499 C HN 0.498 nan 8.230 nan 0.000 0.576 500 H N -0.873 118.435 119.070 0.397 0.000 2.695 500 H HA 0.384 4.946 4.556 0.009 0.000 0.267 500 H C -0.483 174.975 175.328 0.216 0.000 0.973 500 H CA 0.415 56.704 56.048 0.402 0.000 1.223 500 H CB 0.703 30.801 29.762 0.559 0.000 1.442 500 H HN 0.316 nan 8.280 nan 0.000 0.478 501 L N 0.477 121.816 121.223 0.193 0.000 2.565 501 L HA 0.531 4.877 4.340 0.009 0.000 0.261 501 L C -0.698 175.946 176.870 -0.377 0.000 0.932 501 L CA -0.592 54.041 54.840 -0.344 0.000 0.878 501 L CB 1.964 43.412 42.059 -1.018 0.000 1.333 501 L HN 0.080 nan 8.230 nan 0.000 0.409 502 G N 3.264 111.724 108.800 -0.568 0.000 2.348 502 G HA2 0.605 4.570 3.960 0.009 0.000 0.312 502 G HA3 0.605 4.570 3.960 0.009 0.000 0.312 502 G C -1.446 172.635 174.900 -1.366 0.000 1.126 502 G CA -0.482 43.885 45.100 -1.221 0.000 0.865 502 G HN 0.501 nan 8.290 nan 0.000 0.474 503 V N 2.393 121.249 119.914 -1.763 0.000 2.380 503 V HA 0.393 4.519 4.120 0.009 0.000 0.286 503 V C -1.195 174.123 176.094 -1.293 0.000 1.015 503 V CA -0.595 60.980 62.300 -1.208 0.000 0.834 503 V CB 0.672 32.159 31.823 -0.560 0.000 1.009 503 V HN 0.637 nan 8.190 nan 0.000 0.428 504 F N 5.686 125.454 119.950 -0.304 0.000 2.550 504 F HA 0.439 4.972 4.527 0.008 0.000 0.348 504 F C -2.385 173.341 175.800 -0.125 0.000 1.219 504 F CA -2.608 55.256 58.000 -0.226 0.000 1.203 504 F CB 1.362 40.245 39.000 -0.195 0.000 1.436 504 F HN 0.289 nan 8.300 nan 0.000 0.541 505 P HA 0.125 nan 4.420 nan 0.000 0.226 505 P C -0.240 177.107 177.300 0.078 0.000 1.783 505 P CA 0.100 63.228 63.100 0.045 0.000 0.980 505 P CB 0.144 31.876 31.700 0.053 0.000 1.967 506 S N 0.776 116.528 115.700 0.085 0.000 2.565 506 S HA 0.108 4.583 4.470 0.009 0.000 0.276 506 S C 0.471 175.173 174.600 0.170 0.000 1.326 506 S CA -0.198 58.069 58.200 0.111 0.000 1.045 506 S CB 0.650 63.891 63.200 0.067 0.000 0.918 506 S HN 0.339 nan 8.310 nan 0.000 0.505 507 Y N 1.817 122.178 120.300 0.102 0.000 2.500 507 Y HA 0.318 4.872 4.550 0.007 0.000 0.284 507 Y C -0.098 176.013 175.900 0.353 0.000 1.118 507 Y CA 0.202 58.418 58.100 0.193 0.000 1.241 507 Y CB 0.298 38.861 38.460 0.172 0.000 1.171 507 Y HN 0.694 nan 8.280 nan 0.000 0.540 508 Y N 1.803 122.177 120.300 0.123 0.000 2.329 508 Y HA 0.455 5.010 4.550 0.008 0.000 0.328 508 Y C -1.210 174.738 175.900 0.080 0.000 0.992 508 Y CA -1.105 57.021 58.100 0.045 0.000 1.151 508 Y CB 0.986 39.408 38.460 -0.062 0.000 1.150 508 Y HN 0.192 nan 8.280 nan 0.000 0.450 509 E N 8.158 128.118 120.200 -0.401 0.000 2.647 509 E HA 0.252 4.607 4.350 0.009 0.000 0.387 509 E C -2.786 173.693 176.600 -0.202 0.000 0.996 509 E CA -1.405 54.879 56.400 -0.194 0.000 0.735 509 E CB 1.267 30.930 29.700 -0.062 0.000 1.559 509 E HN 0.377 nan 8.360 nan 0.000 0.385 510 P HA -0.098 nan 4.420 nan 0.000 0.216 510 P C 0.258 177.674 177.300 0.193 0.000 1.150 510 P CA 0.984 64.075 63.100 -0.016 0.000 0.837 510 P CB 0.121 31.860 31.700 0.065 0.000 0.786 511 W N -1.175 120.102 121.300 -0.039 0.000 3.705 511 W HA 0.307 4.973 4.660 0.009 0.000 0.224 511 W C -0.235 176.242 176.519 -0.070 0.000 0.882 511 W CA 0.582 57.886 57.345 -0.069 0.000 2.321 511 W CB 0.432 29.812 29.460 -0.132 0.000 1.107 511 W HN 0.015 nan 8.180 nan 0.000 0.692 512 G N 1.664 110.367 108.800 -0.161 0.000 2.956 512 G HA2 -0.324 3.641 3.960 0.009 0.000 0.263 512 G HA3 -0.324 3.641 3.960 0.009 0.000 0.263 512 G C -0.476 174.129 174.900 -0.491 0.000 1.090 512 G CA 0.036 44.936 45.100 -0.332 0.000 1.185 512 G HN 0.425 nan 8.290 nan 0.000 0.566 513 Y N 0.612 120.844 120.300 -0.114 0.000 2.163 513 Y HA -0.194 4.361 4.550 0.009 0.000 0.288 513 Y C 3.298 179.022 175.900 -0.293 0.000 1.136 513 Y CA 2.854 60.916 58.100 -0.063 0.000 1.147 513 Y CB 0.011 38.530 38.460 0.098 0.000 0.987 513 Y HN 0.712 nan 8.280 nan 0.000 0.509 514 T N -2.060 112.399 114.554 -0.158 0.000 2.720 514 T HA -0.158 4.197 4.350 0.009 0.000 0.268 514 T C -0.581 173.704 174.700 -0.691 0.000 1.037 514 T CA 1.206 63.117 62.100 -0.315 0.000 1.144 514 T CB -1.825 66.844 68.868 -0.331 0.000 0.864 514 T HN 0.238 nan 8.240 nan 0.000 0.444 515 P HA 0.105 nan 4.420 nan 0.000 0.217 515 P C 1.787 178.611 177.300 -0.793 0.000 1.151 515 P CA 1.485 64.029 63.100 -0.927 0.000 0.828 515 P CB -0.326 31.029 31.700 -0.575 0.000 0.788 516 A N 1.579 123.641 122.820 -1.263 0.000 1.877 516 A HA -0.214 4.112 4.320 0.009 0.000 0.216 516 A C 2.281 179.521 177.584 -0.572 0.000 1.186 516 A CA 2.101 53.271 52.037 -1.445 0.000 0.620 516 A CB -1.431 16.798 19.000 -1.284 0.000 0.822 516 A HN 0.396 nan 8.150 nan 0.000 0.443 517 E N -0.931 119.055 120.200 -0.358 0.000 2.358 517 E HA -0.140 4.215 4.350 0.009 0.000 0.195 517 E C 1.876 178.340 176.600 -0.228 0.000 1.010 517 E CA 0.989 57.208 56.400 -0.302 0.000 0.856 517 E CB -0.700 28.944 29.700 -0.094 0.000 0.795 517 E HN 0.526 nan 8.360 nan 0.000 0.504 518 C N 0.761 119.983 119.300 -0.131 0.000 2.432 518 C HA -0.088 4.378 4.460 0.009 0.000 0.277 518 C C 2.745 177.725 174.990 -0.016 0.000 1.249 518 C CA 1.622 60.658 59.018 0.030 0.000 1.725 518 C CB -1.123 26.722 27.740 0.175 0.000 2.028 518 C HN 0.567 nan 8.230 nan 0.000 0.477 519 T N 0.483 114.997 114.554 -0.067 0.000 2.777 519 T HA -0.118 4.237 4.350 0.009 0.000 0.266 519 T C 1.764 176.431 174.700 -0.054 0.000 1.040 519 T CA 1.733 63.825 62.100 -0.013 0.000 1.141 519 T CB -0.320 68.585 68.868 0.063 0.000 0.868 519 T HN 0.428 nan 8.240 nan 0.000 0.444 520 V N 1.559 121.380 119.914 -0.155 0.000 2.546 520 V HA -0.144 3.981 4.120 0.009 0.000 0.254 520 V C 2.094 178.092 176.094 -0.160 0.000 1.076 520 V CA 1.500 63.678 62.300 -0.203 0.000 1.087 520 V CB -0.635 30.926 31.823 -0.437 0.000 0.674 520 V HN 0.555 nan 8.190 nan 0.000 0.470 521 M N -0.523 118.995 119.600 -0.136 0.000 2.494 521 M HA 0.282 4.767 4.480 0.009 0.000 0.232 521 M C 1.317 177.615 176.300 -0.003 0.000 1.137 521 M CA 0.789 56.063 55.300 -0.044 0.000 1.012 521 M CB 0.403 32.990 32.600 -0.022 0.000 1.567 521 M HN 0.454 nan 8.290 nan 0.000 0.486 522 G N 1.217 110.016 108.800 -0.001 0.000 2.182 522 G HA2 -0.178 3.788 3.960 0.009 0.000 0.248 522 G HA3 -0.178 3.788 3.960 0.009 0.000 0.248 522 G C -0.368 174.543 174.900 0.019 0.000 1.042 522 G CA -0.306 44.804 45.100 0.017 0.000 0.775 522 G HN 0.336 nan 8.290 nan 0.000 0.501 523 V N 0.881 120.813 119.914 0.030 0.000 2.407 523 V HA 0.448 4.573 4.120 0.009 0.000 0.291 523 V C -1.777 174.337 176.094 0.034 0.000 1.018 523 V CA -1.805 60.520 62.300 0.041 0.000 0.842 523 V CB 2.122 33.993 31.823 0.080 0.000 0.996 523 V HN 0.125 nan 8.190 nan 0.000 0.426 524 P HA 0.199 nan 4.420 nan 0.000 0.267 524 P C -0.473 176.747 177.300 -0.134 0.000 1.201 524 P CA 0.323 63.406 63.100 -0.028 0.000 0.775 524 P CB 0.489 32.157 31.700 -0.054 0.000 0.854 525 S N 0.734 116.375 115.700 -0.097 0.000 2.570 525 S HA 0.667 5.142 4.470 0.009 0.000 0.270 525 S C -0.952 173.563 174.600 -0.141 0.000 1.149 525 S CA -0.882 57.233 58.200 -0.142 0.000 0.837 525 S CB 1.015 64.278 63.200 0.104 0.000 1.124 525 S HN 0.218 nan 8.310 nan 0.000 0.465 526 I N 1.683 122.102 120.570 -0.251 0.000 2.382 526 I HA 0.533 4.708 4.170 0.009 0.000 0.286 526 I C 0.243 176.328 176.117 -0.053 0.000 1.002 526 I CA -0.237 60.940 61.300 -0.205 0.000 1.135 526 I CB 1.918 39.716 38.000 -0.336 0.000 1.288 526 I HN 0.822 nan 8.210 nan 0.000 0.448 527 T N 3.455 118.007 114.554 -0.003 0.000 2.768 527 T HA 0.701 5.056 4.350 0.009 0.000 0.268 527 T C -0.219 174.464 174.700 -0.029 0.000 0.969 527 T CA -0.235 61.887 62.100 0.036 0.000 1.008 527 T CB 1.839 70.748 68.868 0.069 0.000 1.371 527 T HN 0.719 nan 8.240 nan 0.000 0.587 528 T N -0.172 114.355 114.554 -0.044 0.000 2.887 528 T HA 0.414 4.769 4.350 0.009 0.000 0.292 528 T C 0.554 175.179 174.700 -0.126 0.000 1.087 528 T CA -0.656 61.406 62.100 -0.065 0.000 1.009 528 T CB 1.251 70.097 68.868 -0.037 0.000 1.203 528 T HN 0.619 nan 8.240 nan 0.000 0.518 529 N N 0.301 118.910 118.700 -0.150 0.000 2.461 529 N HA -0.037 4.708 4.740 0.009 0.000 0.188 529 N C 1.313 176.654 175.510 -0.282 0.000 1.134 529 N CA 0.791 53.722 53.050 -0.198 0.000 0.878 529 N CB -0.528 37.853 38.487 -0.177 0.000 0.972 529 N HN 0.628 nan 8.380 nan 0.000 0.456 530 V N -3.946 115.781 119.914 -0.311 0.000 3.578 530 V HA 0.286 4.411 4.120 0.009 0.000 0.290 530 V C 0.815 176.761 176.094 -0.246 0.000 1.376 530 V CA -0.271 61.763 62.300 -0.444 0.000 1.083 530 V CB -0.764 30.599 31.823 -0.767 0.000 0.911 530 V HN 0.278 nan 8.190 nan 0.000 0.433 531 S N 1.198 116.794 115.700 -0.175 0.000 2.584 531 S HA 0.557 5.033 4.470 0.009 0.000 0.273 531 S C 1.542 176.049 174.600 -0.154 0.000 1.311 531 S CA 0.298 58.410 58.200 -0.146 0.000 1.034 531 S CB 1.288 64.414 63.200 -0.124 0.000 0.939 531 S HN 0.548 nan 8.310 nan 0.000 0.513 532 G N 3.056 111.782 108.800 -0.123 0.000 2.480 532 G HA2 -0.180 3.785 3.960 0.009 0.000 0.216 532 G HA3 -0.180 3.785 3.960 0.009 0.000 0.216 532 G C 1.089 175.839 174.900 -0.250 0.000 1.200 532 G CA 0.949 46.031 45.100 -0.030 0.000 0.782 532 G HN 0.796 nan 8.290 nan 0.000 0.554 533 F N 2.642 122.020 119.950 -0.954 0.000 2.087 533 F HA -0.089 4.443 4.527 0.009 0.000 0.299 533 F C 2.558 178.088 175.800 -0.450 0.000 1.100 533 F CA 1.771 59.074 58.000 -1.162 0.000 1.226 533 F CB -0.685 37.548 39.000 -1.277 0.000 0.983 533 F HN 0.127 nan 8.300 nan 0.000 0.479 534 G N -0.380 108.165 108.800 -0.424 0.000 2.514 534 G HA2 -0.376 3.589 3.960 0.009 0.000 0.217 534 G HA3 -0.376 3.589 3.960 0.009 0.000 0.217 534 G C 1.788 176.488 174.900 -0.334 0.000 1.198 534 G CA 1.826 46.695 45.100 -0.384 0.000 0.780 534 G HN 0.561 nan 8.290 nan 0.000 0.565 535 S N -0.305 115.265 115.700 -0.217 0.000 2.370 535 S HA -0.241 4.234 4.470 0.009 0.000 0.226 535 S C 2.198 176.740 174.600 -0.097 0.000 1.033 535 S CA 1.753 59.871 58.200 -0.136 0.000 1.011 535 S CB -0.708 62.446 63.200 -0.077 0.000 0.852 535 S HN 0.484 nan 8.310 nan 0.000 0.457 536 Y N 1.808 121.985 120.300 -0.206 0.000 2.114 536 Y HA -0.063 4.492 4.550 0.009 0.000 0.284 536 Y C 2.475 178.229 175.900 -0.244 0.000 1.143 536 Y CA 1.845 59.858 58.100 -0.144 0.000 1.135 536 Y CB -0.759 37.693 38.460 -0.015 0.000 0.980 536 Y HN 0.232 nan 8.280 nan 0.000 0.499 537 M N 0.946 120.237 119.600 -0.516 0.000 2.195 537 M HA -0.230 4.255 4.480 0.009 0.000 0.260 537 M C 2.113 178.150 176.300 -0.438 0.000 1.066 537 M CA 1.675 56.607 55.300 -0.613 0.000 1.089 537 M CB -0.821 31.317 32.600 -0.771 0.000 1.377 537 M HN 0.453 nan 8.290 nan 0.000 0.411 538 E N -0.225 119.775 120.200 -0.334 0.000 2.097 538 E HA -0.217 4.139 4.350 0.009 0.000 0.196 538 E C 0.518 176.986 176.600 -0.220 0.000 1.000 538 E CA 1.456 57.717 56.400 -0.232 0.000 0.804 538 E CB -0.042 29.560 29.700 -0.162 0.000 0.740 538 E HN 0.501 nan 8.360 nan 0.000 0.454 539 D N -0.262 119.984 120.400 -0.256 0.000 2.338 539 D HA 0.079 4.724 4.640 0.009 0.000 0.239 539 D C 0.135 176.278 176.300 -0.261 0.000 1.095 539 D CA 0.554 54.421 54.000 -0.223 0.000 0.888 539 D CB 0.032 40.719 40.800 -0.188 0.000 0.899 539 D HN 0.153 nan 8.370 nan 0.000 0.525 547 K N 1.216 121.513 120.400 -0.173 0.000 2.442 547 K HA -0.059 4.266 4.320 0.009 0.000 0.198 547 K C 0.383 176.785 176.600 -0.329 0.000 1.044 547 K CA 1.171 57.211 56.287 -0.412 0.000 0.948 547 K CB -0.152 31.998 32.500 -0.584 0.000 0.762 547 K HN 0.485 nan 8.250 nan 0.000 0.472 548 D N 0.155 120.452 120.400 -0.172 0.000 2.310 548 D HA -0.132 4.513 4.640 0.009 0.000 0.212 548 D C 0.839 176.981 176.300 -0.262 0.000 0.965 548 D CA 1.115 54.993 54.000 -0.203 0.000 0.879 548 D CB 0.033 40.689 40.800 -0.240 0.000 0.921 548 D HN 0.313 nan 8.370 nan 0.000 0.510 549 Y N 0.042 120.280 120.300 -0.103 0.000 2.470 549 Y HA 0.262 4.817 4.550 0.009 0.000 0.284 549 Y C 1.719 177.594 175.900 -0.042 0.000 1.188 549 Y CA 0.169 58.230 58.100 -0.064 0.000 1.269 549 Y CB 0.438 38.853 38.460 -0.074 0.000 1.094 549 Y HN 0.001 nan 8.280 nan 0.000 0.518 550 G N 0.869 109.697 108.800 0.046 0.000 2.137 550 G HA2 -0.273 3.693 3.960 0.009 0.000 0.237 550 G HA3 -0.273 3.693 3.960 0.009 0.000 0.237 550 G C -0.146 174.816 174.900 0.103 0.000 1.002 550 G CA 0.094 45.259 45.100 0.108 0.000 0.702 550 G HN 0.329 nan 8.290 nan 0.000 0.515 551 I N 0.175 120.739 120.570 -0.010 0.000 2.439 551 I HA 0.433 4.608 4.170 0.009 0.000 0.285 551 I C -0.291 175.712 176.117 -0.190 0.000 1.021 551 I CA -1.169 60.125 61.300 -0.011 0.000 1.091 551 I CB 1.357 39.327 38.000 -0.050 0.000 1.242 551 I HN 0.056 nan 8.210 nan 0.000 0.439 552 Y N 6.033 126.142 120.300 -0.319 0.000 2.361 552 Y HA 0.619 5.174 4.550 0.009 0.000 0.332 552 Y C 0.110 175.735 175.900 -0.458 0.000 1.101 552 Y CA -0.872 56.887 58.100 -0.568 0.000 1.137 552 Y CB 1.809 39.690 38.460 -0.965 0.000 1.207 552 Y HN 0.343 nan 8.280 nan 0.000 0.463 553 I N 3.417 123.817 120.570 -0.282 0.000 2.411 553 I HA 0.247 4.422 4.170 0.009 0.000 0.284 553 I C -0.961 175.141 176.117 -0.025 0.000 1.012 553 I CA -0.811 60.403 61.300 -0.144 0.000 1.119 553 I CB 1.399 39.321 38.000 -0.130 0.000 1.261 553 I HN 0.288 nan 8.210 nan 0.000 0.448 554 V N 4.930 124.859 119.914 0.025 0.000 2.555 554 V HA 0.035 4.160 4.120 0.009 0.000 0.286 554 V C 0.360 176.497 176.094 0.071 0.000 1.044 554 V CA -0.154 62.241 62.300 0.157 0.000 1.026 554 V CB 1.263 33.173 31.823 0.144 0.000 0.981 554 V HN 0.639 nan 8.190 nan 0.000 0.480 555 D N 5.054 125.510 120.400 0.094 0.000 2.359 555 D HA 0.095 4.740 4.640 0.009 0.000 0.250 555 D C 0.947 177.247 176.300 -0.000 0.000 1.264 555 D CA 0.012 54.031 54.000 0.031 0.000 0.911 555 D CB 0.476 41.331 40.800 0.093 0.000 1.056 555 D HN 0.371 nan 8.370 nan 0.000 0.499 556 R N 3.006 123.467 120.500 -0.066 0.000 2.362 556 R HA 0.110 4.456 4.340 0.009 0.000 0.227 556 R C 1.622 177.859 176.300 -0.105 0.000 0.905 556 R CA -0.018 56.067 56.100 -0.025 0.000 1.067 556 R CB 0.463 30.780 30.300 0.029 0.000 1.078 556 R HN 0.410 nan 8.270 nan 0.000 0.516 557 R N -0.880 119.419 120.500 -0.334 0.000 2.175 557 R HA 0.095 4.440 4.340 0.009 0.000 0.202 557 R C 0.702 176.651 176.300 -0.586 0.000 1.018 557 R CA 0.831 56.555 56.100 -0.626 0.000 1.029 557 R CB 0.348 29.946 30.300 -1.171 0.000 0.959 557 R HN -0.004 nan 8.270 nan 0.000 0.480 558 F N 0.200 120.147 119.950 -0.006 0.000 2.680 558 F HA 0.344 4.875 4.527 0.007 0.000 0.290 558 F C 0.370 176.181 175.800 0.017 0.000 1.114 558 F CA -0.199 57.801 58.000 -0.000 0.000 1.333 558 F CB 0.172 39.158 39.000 -0.024 0.000 1.091 558 F HN -0.327 nan 8.300 nan 0.000 0.606 559 K N 1.101 121.598 120.400 0.161 0.000 2.126 559 K HA 0.597 4.922 4.320 0.009 0.000 0.257 559 K C 0.192 176.843 176.600 0.085 0.000 1.007 559 K CA -0.414 55.937 56.287 0.106 0.000 0.928 559 K CB 0.952 33.499 32.500 0.078 0.000 1.013 559 K HN 0.015 nan 8.250 nan 0.000 0.473 560 A N 2.355 125.217 122.820 0.069 0.000 2.366 560 A HA 0.187 4.512 4.320 0.009 0.000 0.249 560 A C -1.621 175.993 177.584 0.051 0.000 1.084 560 A CA -1.236 50.838 52.037 0.061 0.000 0.794 560 A CB -0.233 18.796 19.000 0.047 0.000 1.034 560 A HN 0.475 nan 8.150 nan 0.000 0.491 561 P HA -0.229 nan 4.420 nan 0.000 0.217 561 P C 1.039 178.351 177.300 0.019 0.000 1.158 561 P CA 1.793 64.912 63.100 0.031 0.000 0.887 561 P CB 0.116 31.825 31.700 0.015 0.000 0.792 562 D N -0.637 119.771 120.400 0.013 0.000 2.117 562 D HA -0.160 4.485 4.640 0.009 0.000 0.198 562 D C 1.671 177.972 176.300 0.002 0.000 0.982 562 D CA 1.017 55.018 54.000 0.002 0.000 0.828 562 D CB -0.011 40.788 40.800 -0.003 0.000 0.967 562 D HN 0.263 nan 8.370 nan 0.000 0.464 563 E N 0.153 120.359 120.200 0.010 0.000 2.204 563 E HA -0.097 4.258 4.350 0.009 0.000 0.195 563 E C 2.246 178.854 176.600 0.013 0.000 0.990 563 E CA 0.545 56.950 56.400 0.008 0.000 0.821 563 E CB 0.089 29.800 29.700 0.018 0.000 0.750 563 E HN 0.100 nan 8.360 nan 0.000 0.477 564 S N 0.498 116.215 115.700 0.027 0.000 2.355 564 S HA -0.116 4.360 4.470 0.009 0.000 0.222 564 S C 2.234 176.854 174.600 0.033 0.000 1.031 564 S CA 0.781 59.005 58.200 0.040 0.000 0.993 564 S CB -0.149 63.081 63.200 0.050 0.000 0.859 564 S HN 0.067 nan 8.310 nan 0.000 0.453 565 V N 2.393 122.318 119.914 0.019 0.000 2.287 565 V HA -0.167 3.958 4.120 0.009 0.000 0.248 565 V C 2.562 178.655 176.094 -0.001 0.000 1.053 565 V CA 1.650 63.956 62.300 0.010 0.000 1.027 565 V CB -0.589 31.231 31.823 -0.005 0.000 0.646 565 V HN 0.391 nan 8.190 nan 0.000 0.447 566 E N -0.329 119.861 120.200 -0.016 0.000 2.110 566 E HA -0.271 4.085 4.350 0.009 0.000 0.193 566 E C 2.183 178.751 176.600 -0.055 0.000 0.988 566 E CA 1.360 57.738 56.400 -0.036 0.000 0.804 566 E CB -0.294 29.381 29.700 -0.041 0.000 0.745 566 E HN 0.718 nan 8.360 nan 0.000 0.458 567 Q N 0.251 120.019 119.800 -0.053 0.000 2.224 567 Q HA -0.070 4.276 4.340 0.009 0.000 0.203 567 Q C 2.234 178.173 176.000 -0.100 0.000 0.970 567 Q CA 0.499 56.226 55.803 -0.128 0.000 0.865 567 Q CB 0.050 28.751 28.738 -0.062 0.000 0.922 567 Q HN 0.258 nan 8.270 nan 0.000 0.445 568 L N -0.122 121.128 121.223 0.044 0.000 2.072 568 L HA -0.125 4.221 4.340 0.009 0.000 0.205 568 L C 2.116 179.035 176.870 0.080 0.000 1.079 568 L CA 0.840 55.759 54.840 0.132 0.000 0.752 568 L CB -0.149 41.968 42.059 0.096 0.000 0.906 568 L HN 0.159 nan 8.230 nan 0.000 0.436 569 V N -0.081 119.847 119.914 0.024 0.000 2.490 569 V HA -0.273 3.852 4.120 0.009 0.000 0.250 569 V C 2.054 178.156 176.094 0.014 0.000 1.061 569 V CA 1.760 64.073 62.300 0.021 0.000 1.064 569 V CB -0.720 31.101 31.823 -0.004 0.000 0.670 569 V HN 0.459 nan 8.190 nan 0.000 0.461 570 D N -0.744 119.622 120.400 -0.056 0.000 2.117 570 D HA -0.133 4.512 4.640 0.009 0.000 0.198 570 D C 2.088 178.369 176.300 -0.031 0.000 0.982 570 D CA 1.430 55.373 54.000 -0.096 0.000 0.828 570 D CB -0.274 40.390 40.800 -0.226 0.000 0.967 570 D HN 0.569 nan 8.370 nan 0.000 0.464 571 Y N 0.241 120.569 120.300 0.048 0.000 2.242 571 Y HA -0.075 4.480 4.550 0.009 0.000 0.291 571 Y C 2.593 178.447 175.900 -0.076 0.000 1.137 571 Y CA 0.433 58.542 58.100 0.015 0.000 1.181 571 Y CB -0.070 38.356 38.460 -0.056 0.000 0.989 571 Y HN -0.113 nan 8.280 nan 0.000 0.527 572 M N -0.134 119.539 119.600 0.123 0.000 2.077 572 M HA -0.232 4.253 4.480 0.009 0.000 0.261 572 M C 2.255 178.712 176.300 0.261 0.000 1.070 572 M CA 1.770 57.172 55.300 0.171 0.000 1.125 572 M CB -0.271 32.469 32.600 0.232 0.000 1.339 572 M HN 0.214 nan 8.290 nan 0.000 0.409 573 E N 0.551 120.851 120.200 0.168 0.000 2.049 573 E HA -0.308 4.048 4.350 0.009 0.000 0.198 573 E C 1.844 178.525 176.600 0.136 0.000 1.007 573 E CA 1.963 58.439 56.400 0.126 0.000 0.809 573 E CB -0.147 29.596 29.700 0.071 0.000 0.749 573 E HN 0.500 nan 8.360 nan 0.000 0.450 574 E N -0.552 119.739 120.200 0.152 0.000 2.114 574 E HA -0.260 4.096 4.350 0.009 0.000 0.199 574 E C 1.932 178.651 176.600 0.199 0.000 1.008 574 E CA 1.500 58.003 56.400 0.172 0.000 0.810 574 E CB -0.339 29.506 29.700 0.241 0.000 0.739 574 E HN 0.373 nan 8.360 nan 0.000 0.456 575 F N 0.652 120.656 119.950 0.090 0.000 2.186 575 F HA -0.128 4.404 4.527 0.009 0.000 0.299 575 F C 2.026 177.890 175.800 0.107 0.000 1.090 575 F CA 1.087 59.132 58.000 0.076 0.000 1.307 575 F CB -0.100 38.876 39.000 -0.040 0.000 1.019 575 F HN -0.088 nan 8.300 nan 0.000 0.489 576 V N 0.480 120.482 119.914 0.148 0.000 2.343 576 V HA -0.283 3.842 4.120 0.009 0.000 0.247 576 V C 1.785 177.829 176.094 -0.083 0.000 1.051 576 V CA 1.953 64.262 62.300 0.014 0.000 1.036 576 V CB -0.752 31.102 31.823 0.050 0.000 0.654 576 V HN 0.215 nan 8.190 nan 0.000 0.451 577 K N 0.600 120.980 120.400 -0.034 0.000 2.630 577 K HA 0.074 4.400 4.320 0.009 0.000 0.204 577 K C 0.397 176.957 176.600 -0.066 0.000 1.024 577 K CA 0.024 56.285 56.287 -0.043 0.000 1.157 577 K CB -0.084 32.412 32.500 -0.007 0.000 0.899 577 K HN 0.322 nan 8.250 nan 0.000 0.501 578 K N 2.203 122.522 120.400 -0.135 0.000 2.201 578 K HA 0.045 4.370 4.320 0.009 0.000 0.278 578 K C 0.188 176.703 176.600 -0.143 0.000 1.027 578 K CA -0.271 55.928 56.287 -0.146 0.000 0.909 578 K CB 0.949 33.295 32.500 -0.255 0.000 1.062 578 K HN 0.082 nan 8.250 nan 0.000 0.465 579 T N 0.726 115.226 114.554 -0.090 0.000 2.856 579 T HA 0.116 4.472 4.350 0.009 0.000 0.306 579 T C 1.413 176.066 174.700 -0.078 0.000 1.062 579 T CA -0.051 62.006 62.100 -0.073 0.000 1.083 579 T CB 1.328 70.168 68.868 -0.045 0.000 0.984 579 T HN 0.586 nan 8.240 nan 0.000 0.542 580 A N 1.705 124.489 122.820 -0.059 0.000 1.986 580 A HA 0.075 4.400 4.320 0.009 0.000 0.220 580 A C 2.599 180.167 177.584 -0.027 0.000 1.171 580 A CA 2.056 54.068 52.037 -0.042 0.000 0.640 580 A CB -1.446 17.541 19.000 -0.021 0.000 0.811 580 A HN 1.280 nan 8.150 nan 0.000 0.451 581 A N -1.372 121.433 122.820 -0.026 0.000 1.975 581 A HA -0.029 4.296 4.320 0.009 0.000 0.215 581 A C 2.058 179.630 177.584 -0.020 0.000 1.170 581 A CA 1.147 53.173 52.037 -0.017 0.000 0.656 581 A CB -0.371 18.620 19.000 -0.014 0.000 0.821 581 A HN 0.604 nan 8.150 nan 0.000 0.449 582 Q N -0.393 119.389 119.800 -0.030 0.000 2.124 582 Q HA -0.125 4.220 4.340 0.009 0.000 0.202 582 Q C 2.372 178.363 176.000 -0.016 0.000 0.977 582 Q CA 1.372 57.160 55.803 -0.025 0.000 0.850 582 Q CB -0.334 28.386 28.738 -0.031 0.000 0.901 582 Q HN 0.684 nan 8.270 nan 0.000 0.429 583 A N 0.936 123.732 122.820 -0.040 0.000 1.898 583 A HA -0.130 4.196 4.320 0.009 0.000 0.216 583 A C 1.959 179.561 177.584 0.029 0.000 1.181 583 A CA 0.964 52.992 52.037 -0.016 0.000 0.620 583 A CB -0.514 18.431 19.000 -0.092 0.000 0.819 583 A HN 0.303 nan 8.150 nan 0.000 0.442 584 I N 0.057 120.632 120.570 0.009 0.000 2.614 584 I HA -0.187 3.988 4.170 0.009 0.000 0.258 584 I C 1.916 178.036 176.117 0.005 0.000 1.189 584 I CA 0.687 61.993 61.300 0.010 0.000 1.462 584 I CB -0.650 37.355 38.000 0.009 0.000 1.092 584 I HN 0.291 nan 8.210 nan 0.000 0.442 585 N N 1.132 119.830 118.700 -0.002 0.000 2.039 585 N HA -0.209 4.536 4.740 0.009 0.000 0.193 585 N C 1.821 177.319 175.510 -0.020 0.000 1.044 585 N CA 1.309 54.347 53.050 -0.020 0.000 0.847 585 N CB -0.419 38.048 38.487 -0.032 0.000 1.030 585 N HN 0.375 nan 8.380 nan 0.000 0.422 586 Q N 0.652 120.457 119.800 0.009 0.000 1.985 586 Q HA -0.140 4.206 4.340 0.009 0.000 0.207 586 Q C 2.032 178.062 176.000 0.050 0.000 0.996 586 Q CA 1.362 57.187 55.803 0.035 0.000 0.851 586 Q CB 0.021 28.843 28.738 0.140 0.000 0.921 586 Q HN 0.196 nan 8.270 nan 0.000 0.418 587 R N 0.263 120.806 120.500 0.071 0.000 2.191 587 R HA -0.225 4.120 4.340 0.009 0.000 0.248 587 R C 1.865 178.183 176.300 0.030 0.000 1.127 587 R CA 2.009 58.135 56.100 0.044 0.000 0.943 587 R CB -1.082 29.222 30.300 0.006 0.000 0.891 587 R HN 0.437 nan 8.270 nan 0.000 0.439 588 N N 0.395 119.106 118.700 0.018 0.000 2.149 588 N HA -0.142 4.603 4.740 0.009 0.000 0.188 588 N C 1.868 177.398 175.510 0.032 0.000 1.019 588 N CA 1.074 54.136 53.050 0.019 0.000 0.857 588 N CB -0.266 38.226 38.487 0.008 0.000 0.997 588 N HN 0.292 nan 8.380 nan 0.000 0.426 589 R N -0.030 120.479 120.500 0.015 0.000 2.062 589 R HA -0.078 4.267 4.340 0.009 0.000 0.231 589 R C 2.387 178.790 176.300 0.171 0.000 1.136 589 R CA 1.820 57.945 56.100 0.042 0.000 0.948 589 R CB -0.737 29.459 30.300 -0.173 0.000 0.845 589 R HN 0.418 nan 8.270 nan 0.000 0.430 590 T N -1.081 113.551 114.554 0.130 0.000 2.759 590 T HA -0.217 4.139 4.350 0.009 0.000 0.269 590 T C 1.769 176.525 174.700 0.094 0.000 1.042 590 T CA 1.644 63.822 62.100 0.130 0.000 1.140 590 T CB -0.216 68.709 68.868 0.094 0.000 0.864 590 T HN 0.338 nan 8.240 nan 0.000 0.455 591 E N 0.602 120.845 120.200 0.071 0.000 2.209 591 E HA -0.139 4.217 4.350 0.009 0.000 0.196 591 E C 2.369 179.003 176.600 0.057 0.000 0.993 591 E CA 0.810 57.242 56.400 0.052 0.000 0.819 591 E CB -0.036 29.690 29.700 0.042 0.000 0.745 591 E HN 0.549 nan 8.360 nan 0.000 0.477 592 R N -0.487 120.061 120.500 0.079 0.000 2.297 592 R HA 0.109 4.454 4.340 0.009 0.000 0.197 592 R C 1.913 178.246 176.300 0.055 0.000 0.943 592 R CA 0.017 56.160 56.100 0.073 0.000 1.038 592 R CB 0.222 30.580 30.300 0.097 0.000 0.957 592 R HN 0.234 nan 8.270 nan 0.000 0.484 593 L N 0.442 121.699 121.223 0.057 0.000 2.395 593 L HA -0.069 4.277 4.340 0.009 0.000 0.218 593 L C 2.421 179.308 176.870 0.029 0.000 1.130 593 L CA 0.689 55.539 54.840 0.016 0.000 0.826 593 L CB -0.212 41.859 42.059 0.020 0.000 0.941 593 L HN 0.222 nan 8.230 nan 0.000 0.451 594 S N -0.482 115.238 115.700 0.032 0.000 2.383 594 S HA -0.245 4.230 4.470 0.009 0.000 0.229 594 S C 1.567 176.181 174.600 0.024 0.000 1.030 594 S CA 1.581 59.792 58.200 0.019 0.000 1.002 594 S CB -0.289 62.918 63.200 0.011 0.000 0.829 594 S HN 0.423 nan 8.310 nan 0.000 0.467 595 D N 1.140 121.558 120.400 0.029 0.000 2.269 595 D HA 0.059 4.704 4.640 0.009 0.000 0.208 595 D C 1.841 178.161 176.300 0.033 0.000 0.963 595 D CA 0.576 54.596 54.000 0.033 0.000 0.864 595 D CB -0.165 40.655 40.800 0.032 0.000 0.936 595 D HN 0.423 nan 8.370 nan 0.000 0.505 596 L N 0.249 121.491 121.223 0.032 0.000 2.362 596 L HA -0.062 4.284 4.340 0.009 0.000 0.219 596 L C 1.815 178.731 176.870 0.076 0.000 1.134 596 L CA 0.531 55.398 54.840 0.045 0.000 0.807 596 L CB 0.023 42.097 42.059 0.025 0.000 0.927 596 L HN 0.008 nan 8.230 nan 0.000 0.447 597 L N -1.372 119.884 121.223 0.055 0.000 2.667 597 L HA 0.133 4.478 4.340 0.009 0.000 0.232 597 L C 0.347 177.163 176.870 -0.091 0.000 1.138 597 L CA -0.341 54.511 54.840 0.021 0.000 0.921 597 L CB 0.081 42.176 42.059 0.059 0.000 1.180 597 L HN 0.068 nan 8.230 nan 0.000 0.487 598 D N -1.127 119.252 120.400 -0.035 0.000 2.362 598 D HA -0.046 4.600 4.640 0.009 0.000 0.242 598 D C 0.739 177.021 176.300 -0.029 0.000 1.132 598 D CA 0.114 54.100 54.000 -0.023 0.000 0.907 598 D CB 0.732 41.565 40.800 0.054 0.000 1.195 598 D HN 0.014 nan 8.370 nan 0.000 0.429 599 W N 1.382 122.697 121.300 0.026 0.000 2.421 599 W HA -0.096 4.570 4.660 0.009 0.000 0.270 599 W C 2.117 178.635 176.519 -0.002 0.000 1.233 599 W CA 0.082 57.423 57.345 -0.006 0.000 1.226 599 W CB 0.066 29.496 29.460 -0.049 0.000 1.121 599 W HN 0.473 nan 8.180 nan 0.000 0.579 600 K N 0.062 120.594 120.400 0.220 0.000 2.113 600 K HA -0.236 4.089 4.320 0.009 0.000 0.208 600 K C 2.052 178.727 176.600 0.125 0.000 1.047 600 K CA 1.772 58.141 56.287 0.137 0.000 0.928 600 K CB -0.201 32.353 32.500 0.092 0.000 0.716 600 K HN 0.083 nan 8.250 nan 0.000 0.446 601 R N -0.503 120.066 120.500 0.115 0.000 2.146 601 R HA 0.107 4.453 4.340 0.009 0.000 0.206 601 R C 1.839 178.213 176.300 0.123 0.000 1.049 601 R CA 0.512 56.672 56.100 0.101 0.000 1.029 601 R CB 0.226 30.572 30.300 0.076 0.000 0.949 601 R HN 0.072 nan 8.270 nan 0.000 0.471 602 M N -0.093 119.579 119.600 0.119 0.000 2.447 602 M HA 0.101 4.586 4.480 0.009 0.000 0.264 602 M C 1.988 178.491 176.300 0.339 0.000 1.095 602 M CA 1.043 56.407 55.300 0.108 0.000 1.125 602 M CB -0.161 32.339 32.600 -0.167 0.000 1.389 602 M HN 0.326 nan 8.290 nan 0.000 0.459 603 G N 0.740 109.804 108.800 0.440 0.000 2.509 603 G HA2 -0.088 3.878 3.960 0.009 0.000 0.218 603 G HA3 -0.088 3.878 3.960 0.009 0.000 0.218 603 G C 1.566 176.640 174.900 0.291 0.000 1.124 603 G CA 0.226 45.571 45.100 0.409 0.000 0.776 603 G HN 0.391 nan 8.290 nan 0.000 0.547 604 L N 0.107 121.462 121.223 0.220 0.000 2.291 604 L HA 0.038 4.383 4.340 0.009 0.000 0.214 604 L C 2.509 179.476 176.870 0.162 0.000 1.120 604 L CA 0.523 55.463 54.840 0.167 0.000 0.799 604 L CB -0.201 41.932 42.059 0.123 0.000 0.925 604 L HN 0.101 nan 8.230 nan 0.000 0.446 605 E N -0.361 119.941 120.200 0.171 0.000 2.208 605 E HA -0.149 4.206 4.350 0.009 0.000 0.193 605 E C 2.000 178.651 176.600 0.084 0.000 0.988 605 E CA 1.089 57.546 56.400 0.095 0.000 0.828 605 E CB -0.162 29.557 29.700 0.033 0.000 0.763 605 E HN 0.509 nan 8.360 nan 0.000 0.478 606 Y N 0.374 120.740 120.300 0.110 0.000 2.314 606 Y HA -0.146 4.410 4.550 0.010 0.000 0.293 606 Y C 2.373 178.346 175.900 0.122 0.000 1.129 606 Y CA 0.652 58.821 58.100 0.116 0.000 1.201 606 Y CB 0.004 38.511 38.460 0.079 0.000 0.999 606 Y HN -0.143 nan 8.280 nan 0.000 0.541 607 V N 0.095 120.168 119.914 0.265 0.000 2.358 607 V HA -0.286 3.839 4.120 0.009 0.000 0.246 607 V C 1.968 178.159 176.094 0.163 0.000 1.047 607 V CA 1.840 64.274 62.300 0.223 0.000 1.035 607 V CB -0.458 31.483 31.823 0.196 0.000 0.658 607 V HN 0.352 nan 8.190 nan 0.000 0.452 608 K N 0.573 121.043 120.400 0.117 0.000 2.097 608 K HA -0.095 4.231 4.320 0.009 0.000 0.206 608 K C 2.292 178.915 176.600 0.037 0.000 1.049 608 K CA 1.426 57.756 56.287 0.072 0.000 0.933 608 K CB -0.390 32.138 32.500 0.045 0.000 0.717 608 K HN 0.473 nan 8.250 nan 0.000 0.442 609 A N 1.821 124.655 122.820 0.023 0.000 1.898 609 A HA -0.147 4.178 4.320 0.009 0.000 0.216 609 A C 2.083 179.669 177.584 0.004 0.000 1.181 609 A CA 1.140 53.162 52.037 -0.026 0.000 0.620 609 A CB -0.299 18.651 19.000 -0.083 0.000 0.819 609 A HN 0.183 nan 8.150 nan 0.000 0.442 610 R N -0.522 120.028 120.500 0.083 0.000 2.062 610 R HA -0.098 4.248 4.340 0.009 0.000 0.231 610 R C 2.328 178.664 176.300 0.058 0.000 1.136 610 R CA 1.446 57.607 56.100 0.102 0.000 0.948 610 R CB -0.416 30.016 30.300 0.220 0.000 0.845 610 R HN 0.615 nan 8.270 nan 0.000 0.430 611 Q N 0.552 120.411 119.800 0.099 0.000 2.291 611 Q HA -0.130 4.215 4.340 0.009 0.000 0.206 611 Q C 2.072 178.060 176.000 -0.020 0.000 0.976 611 Q CA 0.837 56.715 55.803 0.125 0.000 0.875 611 Q CB -0.028 28.838 28.738 0.213 0.000 0.927 611 Q HN 0.214 nan 8.270 nan 0.000 0.450 612 L N 0.168 121.356 121.223 -0.059 0.000 2.179 612 L HA 0.054 4.399 4.340 0.009 0.000 0.208 612 L C 2.122 178.900 176.870 -0.153 0.000 1.096 612 L CA 1.324 56.078 54.840 -0.143 0.000 0.779 612 L CB -0.376 41.624 42.059 -0.098 0.000 0.922 612 L HN 0.041 nan 8.230 nan 0.000 0.443 613 A N -0.390 122.372 122.820 -0.097 0.000 1.930 613 A HA -0.115 4.210 4.320 0.009 0.000 0.217 613 A C 2.183 179.686 177.584 -0.135 0.000 1.175 613 A CA 1.787 53.765 52.037 -0.099 0.000 0.627 613 A CB -0.698 18.271 19.000 -0.052 0.000 0.815 613 A HN 0.481 nan 8.150 nan 0.000 0.443 614 L N -1.258 119.908 121.223 -0.095 0.000 1.988 614 L HA -0.152 4.193 4.340 0.009 0.000 0.207 614 L C 2.707 179.494 176.870 -0.139 0.000 1.071 614 L CA 1.645 56.464 54.840 -0.035 0.000 0.744 614 L CB -0.550 41.612 42.059 0.171 0.000 0.893 614 L HN 0.403 nan 8.230 nan 0.000 0.433 615 R N 0.852 121.064 120.500 -0.481 0.000 2.174 615 R HA -0.210 4.135 4.340 0.009 0.000 0.253 615 R C 2.183 178.268 176.300 -0.359 0.000 1.165 615 R CA 1.719 57.316 56.100 -0.840 0.000 0.984 615 R CB -0.369 29.202 30.300 -1.215 0.000 0.873 615 R HN 0.256 nan 8.270 nan 0.000 0.456 616 R N -1.478 118.855 120.500 -0.278 0.000 2.161 616 R HA 0.111 4.456 4.340 0.009 0.000 0.213 616 R C 2.158 178.328 176.300 -0.217 0.000 1.055 616 R CA 0.966 56.946 56.100 -0.200 0.000 0.996 616 R CB -0.114 30.089 30.300 -0.162 0.000 0.901 616 R HN 0.461 nan 8.270 nan 0.000 0.456 617 G N -0.389 108.207 108.800 -0.341 0.000 2.411 617 G HA2 -0.131 3.834 3.960 0.009 0.000 0.213 617 G HA3 -0.131 3.834 3.960 0.009 0.000 0.213 617 G C 0.314 174.813 174.900 -0.669 0.000 1.166 617 G CA 0.202 44.928 45.100 -0.622 0.000 0.802 617 G HN 0.265 nan 8.290 nan 0.000 0.533 618 Y N 0.424 120.756 120.300 0.052 0.000 2.658 618 Y HA 0.324 4.880 4.550 0.009 0.000 0.362 618 Y C -1.807 174.158 175.900 0.109 0.000 1.017 618 Y CA -2.090 56.058 58.100 0.080 0.000 1.134 618 Y CB 1.864 40.386 38.460 0.104 0.000 1.144 618 Y HN 0.059 nan 8.280 nan 0.000 0.655 619 P HA -0.175 nan 4.420 nan 0.000 0.215 619 P C 0.928 178.330 177.300 0.170 0.000 1.157 619 P CA 1.713 64.877 63.100 0.107 0.000 0.874 619 P CB 0.499 32.227 31.700 0.046 0.000 0.790 620 D N -0.539 119.953 120.400 0.153 0.000 2.077 620 D HA -0.152 4.493 4.640 0.009 0.000 0.196 620 D C 2.091 178.478 176.300 0.144 0.000 0.986 620 D CA 1.131 55.208 54.000 0.127 0.000 0.829 620 D CB -0.725 40.133 40.800 0.096 0.000 0.983 620 D HN 0.316 nan 8.370 nan 0.000 0.453 621 Q N -0.305 119.595 119.800 0.167 0.000 2.197 621 Q HA -0.180 4.165 4.340 0.009 0.000 0.207 621 Q C 2.116 178.209 176.000 0.154 0.000 0.984 621 Q CA 0.896 56.782 55.803 0.137 0.000 0.869 621 Q CB -0.314 28.502 28.738 0.131 0.000 0.906 621 Q HN 0.279 nan 8.270 nan 0.000 0.426 622 F N 1.429 121.436 119.950 0.096 0.000 2.259 622 F HA -0.069 4.464 4.527 0.010 0.000 0.298 622 F C 2.518 178.350 175.800 0.053 0.000 1.088 622 F CA 1.016 59.062 58.000 0.078 0.000 1.358 622 F CB 0.034 39.078 39.000 0.072 0.000 1.040 622 F HN -0.135 nan 8.300 nan 0.000 0.505 623 R N 0.479 121.126 120.500 0.245 0.000 2.081 623 R HA -0.152 4.193 4.340 0.009 0.000 0.235 623 R C 2.097 178.424 176.300 0.045 0.000 1.131 623 R CA 1.811 58.000 56.100 0.148 0.000 0.960 623 R CB -0.281 30.093 30.300 0.123 0.000 0.856 623 R HN 0.242 nan 8.270 nan 0.000 0.436 624 E N 0.509 120.726 120.200 0.028 0.000 2.110 624 E HA -0.221 4.134 4.350 0.009 0.000 0.193 624 E C 1.962 178.532 176.600 -0.050 0.000 0.988 624 E CA 0.906 57.303 56.400 -0.004 0.000 0.804 624 E CB -0.216 29.486 29.700 0.004 0.000 0.745 624 E HN 0.309 nan 8.360 nan 0.000 0.458 625 L N 0.249 121.402 121.223 -0.117 0.000 2.240 625 L HA -0.055 4.290 4.340 0.009 0.000 0.211 625 L C 2.091 178.847 176.870 -0.190 0.000 1.106 625 L CA 0.735 55.467 54.840 -0.181 0.000 0.793 625 L CB 0.318 42.197 42.059 -0.301 0.000 0.927 625 L HN -0.120 nan 8.230 nan 0.000 0.446 626 V N -1.238 118.565 119.914 -0.186 0.000 3.263 626 V HA 0.367 4.493 4.120 0.009 0.000 0.248 626 V C 1.581 177.661 176.094 -0.024 0.000 1.145 626 V CA 0.806 63.042 62.300 -0.107 0.000 1.107 626 V CB 0.071 31.864 31.823 -0.050 0.000 0.797 626 V HN 0.544 nan 8.190 nan 0.000 0.467 627 G N 1.175 109.970 108.800 -0.008 0.000 2.144 627 G HA2 -0.164 3.801 3.960 0.009 0.000 0.218 627 G HA3 -0.164 3.801 3.960 0.009 0.000 0.218 627 G C 0.067 174.983 174.900 0.027 0.000 0.988 627 G CA 0.433 45.538 45.100 0.008 0.000 0.659 627 G HN 0.697 nan 8.290 nan 0.000 0.522 628 E N -1.041 119.187 120.200 0.048 0.000 2.238 628 E HA 0.418 4.773 4.350 0.009 0.000 0.252 628 E C -1.081 175.573 176.600 0.089 0.000 1.317 628 E CA -0.666 55.769 56.400 0.058 0.000 0.921 628 E CB -0.011 29.721 29.700 0.052 0.000 1.626 628 E HN 0.495 nan 8.360 nan 0.000 0.488 629 E N 1.528 121.776 120.200 0.080 0.000 2.145 629 E HA 0.558 4.913 4.350 0.009 0.000 0.270 629 E C -0.623 176.025 176.600 0.079 0.000 0.906 629 E CA -0.785 55.670 56.400 0.092 0.000 0.761 629 E CB 1.539 31.277 29.700 0.064 0.000 1.116 629 E HN 0.326 nan 8.360 nan 0.000 0.408 630 L N 2.524 123.807 121.223 0.099 0.000 2.375 630 L HA 0.315 4.660 4.340 0.009 0.000 0.268 630 L C 0.510 177.386 176.870 0.010 0.000 1.058 630 L CA -1.163 53.717 54.840 0.066 0.000 0.803 630 L CB 1.048 43.173 42.059 0.110 0.000 1.212 630 L HN 0.616 nan 8.230 nan 0.000 0.451 631 N N 1.409 120.110 118.700 0.001 0.000 2.492 631 N HA -0.030 4.716 4.740 0.009 0.000 0.262 631 N C -0.321 175.159 175.510 -0.049 0.000 1.202 631 N CA -0.028 53.011 53.050 -0.018 0.000 0.926 631 N CB 0.755 39.238 38.487 -0.007 0.000 1.078 631 N HN 0.602 nan 8.380 nan 0.000 0.454 632 D N 0.177 120.541 120.400 -0.060 0.000 2.623 632 D HA 0.085 4.731 4.640 0.009 0.000 0.252 632 D C 0.083 176.344 176.300 -0.065 0.000 1.294 632 D CA -0.176 53.770 54.000 -0.090 0.000 0.824 632 D CB -0.497 40.231 40.800 -0.120 0.000 1.070 632 D HN 0.357 nan 8.370 nan 0.000 0.487 633 S N -0.233 115.442 115.700 -0.042 0.000 2.439 633 S HA 0.091 4.566 4.470 0.009 0.000 0.224 633 S C 0.758 175.341 174.600 -0.027 0.000 1.029 633 S CA 0.098 58.280 58.200 -0.029 0.000 0.946 633 S CB -0.091 63.099 63.200 -0.017 0.000 0.797 633 S HN 0.224 nan 8.310 nan 0.000 0.504 634 N N 0.262 118.944 118.700 -0.030 0.000 2.571 634 N HA 0.428 5.173 4.740 0.009 0.000 0.273 634 N C 0.438 175.928 175.510 -0.035 0.000 1.340 634 N CA -0.700 52.333 53.050 -0.029 0.000 0.789 634 N CB 0.858 39.334 38.487 -0.018 0.000 1.514 634 N HN 0.042 nan 8.380 nan 0.000 0.499 635 M N -0.440 119.139 119.600 -0.035 0.000 2.254 635 M HA -0.009 4.476 4.480 0.009 0.000 0.265 635 M C 0.128 176.423 176.300 -0.008 0.000 1.066 635 M CA 1.327 56.610 55.300 -0.028 0.000 1.123 635 M CB -0.229 32.351 32.600 -0.034 0.000 1.388 635 M HN 0.335 nan 8.290 nan 0.000 0.425 636 D N 1.050 121.446 120.400 -0.006 0.000 2.213 636 D HA 0.067 4.713 4.640 0.009 0.000 0.205 636 D C 2.141 178.444 176.300 0.005 0.000 0.961 636 D CA 1.141 55.144 54.000 0.005 0.000 0.853 636 D CB -0.014 40.790 40.800 0.006 0.000 0.967 636 D HN 0.311 nan 8.370 nan 0.000 0.496 637 A N 0.562 123.380 122.820 -0.003 0.000 2.015 637 A HA -0.112 4.213 4.320 0.009 0.000 0.219 637 A C 2.041 179.625 177.584 -0.001 0.000 1.163 637 A CA 0.777 52.813 52.037 -0.002 0.000 0.646 637 A CB -0.445 18.549 19.000 -0.009 0.000 0.806 637 A HN 0.218 nan 8.150 nan 0.000 0.448 638 L N -0.442 120.777 121.223 -0.007 0.000 1.973 638 L HA 0.210 4.556 4.340 0.009 0.000 0.208 638 L C 1.611 178.502 176.870 0.035 0.000 1.073 638 L CA 1.761 56.601 54.840 0.000 0.000 0.746 638 L CB -0.885 41.160 42.059 -0.024 0.000 0.891 638 L HN 0.360 nan 8.230 nan 0.000 0.433 639 A N 0.000 122.843 122.820 0.038 0.000 2.254 639 A HA 0.000 4.325 4.320 0.009 0.000 0.244 639 A CA 0.000 52.066 52.037 0.049 0.000 0.836 639 A CB 0.000 19.035 19.000 0.058 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486