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 1z1n_1_X DATA FIRST_RESID 11 DATA SEQUENCE PKVDAIVIDT AAVFGKLEQP GVVFYHEKHT TALEKMAKDC TSCHVETEGK DATA SEQUENCE LSFKFARTVD PTSKNAMAEQ YHANCMACHE KVVGSYPTAP QAAECKRCHV DATA SEQUENCE GPGVEGATVT PKPSLDLNLH GRHVVAEAKR LQVKEDESCK ACHHTYDEAQ DATA SEQUENCE KKLVYAKGEE GSCVYCHKQE PLPSPVXXDR VVPSTRDASH ESCVNCHLST DATA SEQUENCE RKAQTESGPV LCVGCHTAEA QAAWKKTAET PRLFRGQPDA TLLVAGAATA DATA SEQUENCE NGTVDVNWAA AGPGPVAFDH KAHEGFVGNC VTCHHPTQTG GSLAACGVAC DATA SEQUENCE HTTTGSKDGN FVTTAQSAHQ LGVTTSCVGC HTTQANARKE CAGCHAPMQK DATA SEQUENCE TALSQNSCIQ CHEAGFPTSG TQTLGKEERE ATAAKILAAK DEKPKTVPLE DATA SEQUENCE NVPEKLTLNY MXXKGDEWQA AEFPHRKIYQ KLVEEAAKSP MANHFHGDAL DATA SEQUENCE TMCSGCHHNA KPSLNPPKCA SCHSKPFQER TANQPGLKGA FHNQCIGCHQ DATA SEQUENCE EMQVNPKATD CQGCHKPKNS 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 11 P HA 0.000 nan 4.420 nan 0.000 0.216 11 P C 0.000 177.325 177.300 0.042 0.000 1.155 11 P CA 0.000 63.119 63.100 0.031 0.000 0.800 11 P CB 0.000 31.717 31.700 0.028 0.000 0.726 12 K N 1.612 122.045 120.400 0.055 0.000 2.356 12 K HA 0.612 4.937 4.320 0.009 0.000 0.243 12 K C 1.065 177.686 176.600 0.035 0.000 1.072 12 K CA 0.169 56.505 56.287 0.081 0.000 1.014 12 K CB -0.016 32.600 32.500 0.194 0.000 1.523 12 K HN 0.137 nan 8.250 nan 0.000 0.455 13 V N -0.873 119.054 119.914 0.022 0.000 2.688 13 V HA -0.232 3.893 4.120 0.009 0.000 0.256 13 V C 1.746 177.804 176.094 -0.061 0.000 1.084 13 V CA 2.218 64.501 62.300 -0.027 0.000 1.103 13 V CB -0.285 31.553 31.823 0.025 0.000 0.688 13 V HN 0.829 nan 8.190 nan 0.000 0.480 14 D N 1.588 121.993 120.400 0.007 0.000 2.355 14 D HA 0.089 4.735 4.640 0.009 0.000 0.218 14 D C 0.996 177.289 176.300 -0.011 0.000 1.004 14 D CA 0.717 54.734 54.000 0.028 0.000 0.880 14 D CB -0.020 40.849 40.800 0.115 0.000 0.911 14 D HN 0.700 nan 8.370 nan 0.000 0.528 15 A N 1.041 123.805 122.820 -0.094 0.000 2.491 15 A HA 0.387 4.713 4.320 0.009 0.000 0.261 15 A C 0.183 177.665 177.584 -0.170 0.000 1.101 15 A CA -0.168 51.699 52.037 -0.283 0.000 0.772 15 A CB -0.251 18.562 19.000 -0.311 0.000 1.043 15 A HN 0.301 nan 8.150 nan 0.000 0.501 16 I N 3.292 123.787 120.570 -0.126 0.000 2.362 16 I HA 0.205 4.380 4.170 0.009 0.000 0.289 16 I C -0.363 175.703 176.117 -0.084 0.000 0.994 16 I CA -0.696 60.576 61.300 -0.047 0.000 1.158 16 I CB 1.975 40.019 38.000 0.074 0.000 1.315 16 I HN 0.274 nan 8.210 nan 0.000 0.451 17 V N 7.616 127.479 119.914 -0.085 0.000 2.338 17 V HA 0.192 4.318 4.120 0.009 0.000 0.255 17 V C 0.618 176.656 176.094 -0.092 0.000 1.082 17 V CA -0.251 61.994 62.300 -0.091 0.000 0.951 17 V CB 0.041 31.821 31.823 -0.071 0.000 1.102 17 V HN 0.463 nan 8.190 nan 0.000 0.489 18 I N 5.624 126.108 120.570 -0.142 0.000 2.471 18 I HA 0.143 4.319 4.170 0.009 0.000 0.294 18 I C 0.319 176.317 176.117 -0.198 0.000 1.123 18 I CA 0.169 61.343 61.300 -0.209 0.000 1.336 18 I CB 0.153 37.921 38.000 -0.387 0.000 1.430 18 I HN 0.711 nan 8.210 nan 0.000 0.533 19 D N 1.879 122.210 120.400 -0.115 0.000 2.650 19 D HA 0.027 4.673 4.640 0.009 0.000 0.265 19 D C 1.079 177.365 176.300 -0.023 0.000 1.339 19 D CA -0.354 53.603 54.000 -0.072 0.000 0.816 19 D CB 0.184 40.965 40.800 -0.033 0.000 1.091 19 D HN 0.325 nan 8.370 nan 0.000 0.483 20 T N 0.165 114.705 114.554 -0.023 0.000 2.649 20 T HA -0.254 4.101 4.350 0.009 0.000 0.268 20 T C 1.840 176.617 174.700 0.128 0.000 1.036 20 T CA 1.890 64.044 62.100 0.090 0.000 1.157 20 T CB -0.330 68.682 68.868 0.240 0.000 0.861 20 T HN 0.474 nan 8.240 nan 0.000 0.445 21 A N 0.599 123.509 122.820 0.149 0.000 2.261 21 A HA 0.597 4.923 4.320 0.009 0.000 0.208 21 A C 2.143 179.871 177.584 0.240 0.000 1.223 21 A CA 0.714 52.919 52.037 0.280 0.000 0.833 21 A CB -0.655 18.482 19.000 0.227 0.000 0.830 21 A HN 0.504 nan 8.150 nan 0.000 0.483 22 A N -0.278 122.611 122.820 0.115 0.000 2.218 22 A HA 0.226 4.551 4.320 0.009 0.000 0.209 22 A C 1.888 179.493 177.584 0.036 0.000 1.168 22 A CA 0.898 52.986 52.037 0.084 0.000 0.804 22 A CB -0.710 18.315 19.000 0.043 0.000 0.834 22 A HN 1.078 nan 8.150 nan 0.000 0.482 23 V N -3.964 115.926 119.914 -0.041 0.000 2.867 23 V HA -0.123 4.003 4.120 0.009 0.000 0.260 23 V C 1.716 177.619 176.094 -0.319 0.000 1.099 23 V CA 1.521 63.695 62.300 -0.210 0.000 1.122 23 V CB -1.368 30.250 31.823 -0.341 0.000 0.708 23 V HN 0.419 nan 8.190 nan 0.000 0.490 24 F N 1.920 121.882 119.950 0.021 0.000 2.797 24 F HA 0.621 5.153 4.527 0.009 0.000 0.302 24 F C 1.544 177.354 175.800 0.016 0.000 1.130 24 F CA 0.776 58.788 58.000 0.019 0.000 1.387 24 F CB 0.090 39.104 39.000 0.023 0.000 1.107 24 F HN 0.573 nan 8.300 nan 0.000 0.577 25 G N 0.409 109.286 108.800 0.128 0.000 2.373 25 G HA2 -0.152 3.814 3.960 0.009 0.000 0.634 25 G HA3 -0.152 3.814 3.960 0.009 0.000 0.634 25 G C -0.801 174.147 174.900 0.081 0.000 1.267 25 G CA -1.027 44.125 45.100 0.088 0.000 1.008 25 G HN 0.179 nan 8.290 nan 0.000 0.497 26 K N -0.027 120.408 120.400 0.059 0.000 2.561 26 K HA 0.219 4.544 4.320 0.009 0.000 0.280 26 K C 0.753 177.386 176.600 0.056 0.000 0.975 26 K CA -0.016 56.300 56.287 0.048 0.000 1.024 26 K CB -0.026 32.496 32.500 0.036 0.000 0.883 26 K HN 0.474 nan 8.250 nan 0.000 0.496 27 L N 4.117 125.371 121.223 0.050 0.000 2.436 27 L HA 0.041 4.387 4.340 0.009 0.000 0.265 27 L C 1.480 178.373 176.870 0.037 0.000 1.168 27 L CA -0.080 54.791 54.840 0.052 0.000 0.815 27 L CB 0.896 42.987 42.059 0.054 0.000 1.109 27 L HN 0.856 nan 8.230 nan 0.000 0.462 28 E N 0.349 120.567 120.200 0.029 0.000 2.102 28 E HA -0.016 4.339 4.350 0.009 0.000 0.190 28 E C 0.007 176.605 176.600 -0.004 0.000 0.971 28 E CA 0.398 56.803 56.400 0.009 0.000 0.821 28 E CB 0.328 30.027 29.700 -0.002 0.000 0.777 28 E HN 0.510 nan 8.360 nan 0.000 0.460 29 Q N 0.923 120.720 119.800 -0.005 0.000 2.248 29 Q HA 0.334 4.680 4.340 0.009 0.000 0.263 29 Q C -2.316 173.732 176.000 0.080 0.000 1.007 29 Q CA -2.459 53.333 55.803 -0.019 0.000 0.877 29 Q CB 0.355 28.961 28.738 -0.220 0.000 1.315 29 Q HN -0.033 nan 8.270 nan 0.000 0.454 30 P HA -0.061 nan 4.420 nan 0.000 0.266 30 P C -0.001 177.412 177.300 0.188 0.000 1.180 30 P CA 0.308 63.480 63.100 0.120 0.000 0.765 30 P CB 0.226 31.996 31.700 0.117 0.000 0.806 31 G N 1.636 110.490 108.800 0.090 0.000 2.491 31 G HA2 0.327 4.292 3.960 0.009 0.000 0.242 31 G HA3 0.327 4.292 3.960 0.009 0.000 0.242 31 G C -0.136 174.733 174.900 -0.052 0.000 1.266 31 G CA -0.520 44.595 45.100 0.026 0.000 0.844 31 G HN 0.363 nan 8.290 nan 0.000 0.571 32 V N 0.955 120.761 119.914 -0.180 0.000 2.881 32 V HA 0.326 4.452 4.120 0.009 0.000 0.303 32 V C 0.302 176.310 176.094 -0.143 0.000 1.070 32 V CA -0.322 61.830 62.300 -0.247 0.000 1.074 32 V CB 1.548 33.155 31.823 -0.360 0.000 1.012 32 V HN 0.449 nan 8.190 nan 0.000 0.482 33 V N 4.191 124.039 119.914 -0.110 0.000 2.516 33 V HA 0.262 4.388 4.120 0.009 0.000 0.271 33 V C -0.654 175.334 176.094 -0.177 0.000 0.992 33 V CA -0.350 61.852 62.300 -0.164 0.000 0.857 33 V CB 1.047 32.759 31.823 -0.185 0.000 1.047 33 V HN 0.697 nan 8.190 nan 0.000 0.455 34 F N 5.070 124.845 119.950 -0.292 0.000 2.412 34 F HA 0.553 5.085 4.527 0.008 0.000 0.348 34 F C -0.520 175.121 175.800 -0.265 0.000 1.102 34 F CA -0.140 57.726 58.000 -0.223 0.000 1.196 34 F CB 0.632 39.466 39.000 -0.276 0.000 1.144 34 F HN 0.443 nan 8.300 nan 0.000 0.541 35 Y N 6.370 126.310 120.300 -0.600 0.000 2.417 35 Y HA 0.166 4.721 4.550 0.009 0.000 0.336 35 Y C 1.302 176.910 175.900 -0.488 0.000 0.961 35 Y CA -0.280 57.603 58.100 -0.362 0.000 1.215 35 Y CB 0.424 38.762 38.460 -0.203 0.000 1.120 35 Y HN 0.673 nan 8.280 nan 0.000 0.499 36 H N 2.432 121.393 119.070 -0.181 0.000 2.462 36 H HA -0.082 4.479 4.556 0.008 0.000 0.292 36 H C 0.969 176.313 175.328 0.028 0.000 1.049 36 H CA 1.811 57.830 56.048 -0.050 0.000 1.334 36 H CB 0.665 30.487 29.762 0.100 0.000 1.404 36 H HN 0.808 nan 8.280 nan 0.000 0.544 37 E N 0.500 120.783 120.200 0.138 0.000 2.076 37 E HA -0.085 4.271 4.350 0.009 0.000 0.190 37 E C 2.206 178.814 176.600 0.013 0.000 0.979 37 E CA 0.181 56.641 56.400 0.100 0.000 0.807 37 E CB 0.191 29.945 29.700 0.090 0.000 0.761 37 E HN 0.410 nan 8.360 nan 0.000 0.454 38 K N 0.476 120.850 120.400 -0.044 0.000 2.059 38 K HA -0.225 4.101 4.320 0.009 0.000 0.212 38 K C 2.053 178.503 176.600 -0.250 0.000 1.050 38 K CA 1.751 57.937 56.287 -0.168 0.000 0.927 38 K CB -0.342 32.008 32.500 -0.251 0.000 0.714 38 K HN 0.235 nan 8.250 nan 0.000 0.447 39 H N -0.104 118.832 119.070 -0.224 0.000 2.357 39 H HA -0.066 4.495 4.556 0.009 0.000 0.301 39 H C 2.441 177.716 175.328 -0.088 0.000 1.082 39 H CA 2.064 58.002 56.048 -0.184 0.000 1.342 39 H CB -0.381 29.243 29.762 -0.230 0.000 1.389 39 H HN 0.366 nan 8.280 nan 0.000 0.511 40 T N -2.673 111.921 114.554 0.067 0.000 2.857 40 T HA -0.122 4.233 4.350 0.009 0.000 0.266 40 T C 2.056 176.795 174.700 0.066 0.000 1.048 40 T CA 1.450 63.611 62.100 0.101 0.000 1.139 40 T CB -0.639 68.332 68.868 0.173 0.000 0.874 40 T HN 0.227 nan 8.240 nan 0.000 0.455 41 T N 2.413 116.986 114.554 0.032 0.000 2.622 41 T HA -0.014 4.341 4.350 0.009 0.000 0.266 41 T C 2.505 177.207 174.700 0.003 0.000 1.047 41 T CA 1.574 63.684 62.100 0.016 0.000 1.159 41 T CB -0.959 67.907 68.868 -0.003 0.000 0.863 41 T HN 0.569 nan 8.240 nan 0.000 0.422 42 A N 1.414 124.196 122.820 -0.063 0.000 1.892 42 A HA -0.078 4.248 4.320 0.009 0.000 0.218 42 A C 2.322 179.898 177.584 -0.014 0.000 1.188 42 A CA 1.437 53.413 52.037 -0.102 0.000 0.631 42 A CB -0.882 17.891 19.000 -0.379 0.000 0.822 42 A HN 0.474 nan 8.150 nan 0.000 0.447 43 L N -0.976 120.250 121.223 0.006 0.000 2.179 43 L HA -0.071 4.275 4.340 0.009 0.000 0.208 43 L C 2.400 179.314 176.870 0.073 0.000 1.096 43 L CA 1.016 55.889 54.840 0.057 0.000 0.779 43 L CB -0.824 41.287 42.059 0.087 0.000 0.922 43 L HN 0.411 nan 8.230 nan 0.000 0.443 44 E N 0.674 120.916 120.200 0.070 0.000 2.208 44 E HA -0.134 4.222 4.350 0.009 0.000 0.193 44 E C 2.029 178.667 176.600 0.065 0.000 0.988 44 E CA 0.615 57.057 56.400 0.071 0.000 0.828 44 E CB 0.126 29.869 29.700 0.071 0.000 0.763 44 E HN 0.462 nan 8.360 nan 0.000 0.478 45 K N 0.468 120.909 120.400 0.067 0.000 2.009 45 K HA -0.055 4.270 4.320 0.009 0.000 0.210 45 K C 1.934 178.580 176.600 0.076 0.000 1.049 45 K CA 1.414 57.745 56.287 0.073 0.000 0.929 45 K CB -0.200 32.358 32.500 0.097 0.000 0.714 45 K HN 0.086 nan 8.250 nan 0.000 0.440 46 M N 0.437 120.091 119.600 0.090 0.000 2.776 46 M HA 0.067 4.552 4.480 0.009 0.000 0.233 46 M C 0.313 176.655 176.300 0.069 0.000 1.078 46 M CA 0.389 55.741 55.300 0.088 0.000 1.058 46 M CB -0.140 32.522 32.600 0.104 0.000 1.611 46 M HN 0.253 nan 8.290 nan 0.000 0.541 47 A N 0.282 123.140 122.820 0.063 0.000 2.704 47 A HA -0.210 4.115 4.320 0.009 0.000 0.299 47 A C -0.045 177.575 177.584 0.060 0.000 1.507 47 A CA 1.097 53.167 52.037 0.056 0.000 0.776 47 A CB -1.774 17.253 19.000 0.046 0.000 1.027 47 A HN 0.501 nan 8.150 nan 0.000 0.475 48 K N 0.616 121.057 120.400 0.069 0.000 2.413 48 K HA 0.504 4.829 4.320 0.009 0.000 0.257 48 K C 0.246 176.898 176.600 0.087 0.000 0.946 48 K CA -0.184 56.148 56.287 0.075 0.000 0.823 48 K CB 1.212 33.760 32.500 0.080 0.000 1.109 48 K HN 0.552 nan 8.250 nan 0.000 0.427 49 D N 0.844 121.297 120.400 0.088 0.000 2.403 49 D HA 0.010 4.656 4.640 0.009 0.000 0.278 49 D C 0.693 177.076 176.300 0.139 0.000 1.230 49 D CA -0.314 53.749 54.000 0.106 0.000 1.062 49 D CB -0.153 40.703 40.800 0.093 0.000 1.119 49 D HN 0.449 nan 8.370 nan 0.000 0.557 50 C N -0.973 118.430 119.300 0.172 0.000 2.446 50 C HA -0.051 4.415 4.460 0.009 0.000 0.279 50 C C 2.576 177.709 174.990 0.239 0.000 1.366 50 C CA 1.242 60.416 59.018 0.260 0.000 1.763 50 C CB -1.614 26.308 27.740 0.304 0.000 1.929 50 C HN 0.836 nan 8.230 nan 0.000 0.509 51 T N -0.425 114.220 114.554 0.152 0.000 3.025 51 T HA -0.124 4.232 4.350 0.009 0.000 0.270 51 T C 1.550 176.292 174.700 0.071 0.000 1.126 51 T CA 1.642 63.803 62.100 0.102 0.000 1.105 51 T CB -0.547 68.358 68.868 0.061 0.000 0.884 51 T HN 0.517 nan 8.240 nan 0.000 0.522 52 S N 0.431 116.183 115.700 0.088 0.000 2.400 52 S HA -0.080 4.396 4.470 0.009 0.000 0.232 52 S C 1.753 176.385 174.600 0.053 0.000 1.025 52 S CA 1.225 59.469 58.200 0.074 0.000 0.993 52 S CB -0.431 62.831 63.200 0.102 0.000 0.808 52 S HN 0.781 nan 8.310 nan 0.000 0.478 53 C N -0.159 119.165 119.300 0.040 0.000 3.785 53 C HA 0.363 4.828 4.460 0.009 0.000 0.312 53 C C 0.031 174.831 174.990 -0.317 0.000 1.566 53 C CA -0.563 58.415 59.018 -0.066 0.000 1.837 53 C CB -0.336 27.403 27.740 -0.001 0.000 2.826 53 C HN 0.484 nan 8.230 nan 0.000 0.667 54 H N 0.592 119.695 119.070 0.056 0.000 2.744 54 H HA 0.332 4.893 4.556 0.008 0.000 0.339 54 H C -0.654 174.639 175.328 -0.059 0.000 1.004 54 H CA -0.193 55.858 56.048 0.005 0.000 1.257 54 H CB 1.802 31.598 29.762 0.057 0.000 1.552 54 H HN -0.100 nan 8.280 nan 0.000 0.522 55 V N 2.984 122.904 119.914 0.011 0.000 2.540 55 V HA -0.053 4.072 4.120 0.009 0.000 0.297 55 V C 0.916 176.980 176.094 -0.049 0.000 1.024 55 V CA 0.270 62.547 62.300 -0.038 0.000 1.105 55 V CB 0.411 32.193 31.823 -0.068 0.000 0.938 55 V HN 0.703 nan 8.190 nan 0.000 0.482 56 E N 3.457 123.633 120.200 -0.040 0.000 2.109 56 E HA 0.352 4.707 4.350 0.009 0.000 0.278 56 E C -0.833 175.739 176.600 -0.046 0.000 0.954 56 E CA -0.497 55.874 56.400 -0.050 0.000 0.779 56 E CB 1.025 30.711 29.700 -0.024 0.000 1.093 56 E HN 0.730 nan 8.360 nan 0.000 0.401 57 T N 4.848 119.368 114.554 -0.057 0.000 2.963 57 T HA 0.165 4.521 4.350 0.009 0.000 0.343 57 T C -0.532 174.145 174.700 -0.037 0.000 1.146 57 T CA -0.460 61.614 62.100 -0.044 0.000 1.016 57 T CB 0.458 69.297 68.868 -0.047 0.000 1.046 57 T HN 0.725 nan 8.240 nan 0.000 0.496 58 E N 1.822 122.006 120.200 -0.027 0.000 2.287 58 E HA -0.244 4.112 4.350 0.009 0.000 0.229 58 E C 1.203 177.790 176.600 -0.020 0.000 1.194 58 E CA 0.655 57.043 56.400 -0.020 0.000 0.704 58 E CB -1.396 28.294 29.700 -0.017 0.000 1.216 58 E HN 1.175 nan 8.360 nan 0.000 0.381 59 G N 0.719 109.507 108.800 -0.020 0.000 2.640 59 G HA2 -0.436 3.530 3.960 0.009 0.000 0.226 59 G HA3 -0.436 3.530 3.960 0.009 0.000 0.226 59 G C 0.380 175.259 174.900 -0.034 0.000 1.222 59 G CA 0.555 45.644 45.100 -0.018 0.000 0.729 59 G HN 0.392 nan 8.290 nan 0.000 0.516 60 K N 1.419 121.790 120.400 -0.049 0.000 2.349 60 K HA 0.512 4.838 4.320 0.009 0.000 0.289 60 K C 0.146 176.659 176.600 -0.145 0.000 1.064 60 K CA -0.708 55.527 56.287 -0.086 0.000 0.947 60 K CB 0.204 32.660 32.500 -0.074 0.000 1.007 60 K HN 0.171 nan 8.250 nan 0.000 0.478 61 L N 3.003 124.084 121.223 -0.235 0.000 2.439 61 L HA 0.082 4.428 4.340 0.009 0.000 0.269 61 L C 0.539 177.077 176.870 -0.553 0.000 1.179 61 L CA 0.582 55.191 54.840 -0.384 0.000 0.828 61 L CB 1.390 43.110 42.059 -0.566 0.000 1.106 61 L HN 0.644 nan 8.230 nan 0.000 0.467 62 S N 1.535 116.990 115.700 -0.409 0.000 2.554 62 S HA 0.411 4.886 4.470 0.009 0.000 0.278 62 S C 0.438 174.769 174.600 -0.448 0.000 1.242 62 S CA -0.352 57.636 58.200 -0.354 0.000 1.051 62 S CB 0.241 63.371 63.200 -0.118 0.000 0.986 62 S HN 0.395 nan 8.310 nan 0.000 0.502 63 F N 1.817 121.765 119.950 -0.003 0.000 2.664 63 F HA 0.345 4.876 4.527 0.007 0.000 0.303 63 F C 1.223 177.152 175.800 0.215 0.000 1.092 63 F CA -0.594 57.374 58.000 -0.053 0.000 1.305 63 F CB 0.316 39.223 39.000 -0.155 0.000 1.054 63 F HN 0.316 nan 8.300 nan 0.000 0.565 64 K N 1.210 121.786 120.400 0.293 0.000 2.436 64 K HA -0.031 4.295 4.320 0.009 0.000 0.275 64 K C -0.374 176.400 176.600 0.290 0.000 0.999 64 K CA -0.268 56.160 56.287 0.235 0.000 0.980 64 K CB 0.486 33.040 32.500 0.091 0.000 0.919 64 K HN -0.014 nan 8.250 nan 0.000 0.484 65 F N 2.357 122.313 119.950 0.010 0.000 2.466 65 F HA 0.198 4.730 4.527 0.008 0.000 0.363 65 F C 0.524 176.179 175.800 -0.240 0.000 1.109 65 F CA -0.289 57.599 58.000 -0.186 0.000 1.161 65 F CB -0.456 38.422 39.000 -0.203 0.000 1.117 65 F HN 0.766 nan 8.300 nan 0.000 0.539 66 A N 5.183 127.538 122.820 -0.775 0.000 2.791 66 A HA -0.179 4.146 4.320 0.009 0.000 0.292 66 A C 0.445 177.725 177.584 -0.506 0.000 1.487 66 A CA 1.509 53.062 52.037 -0.806 0.000 0.760 66 A CB -1.902 16.259 19.000 -1.397 0.000 1.031 66 A HN 1.188 nan 8.150 nan 0.000 0.503 67 R N -3.214 117.103 120.500 -0.305 0.000 2.828 67 R HA 0.536 4.881 4.340 0.009 0.000 0.280 67 R C 0.108 176.337 176.300 -0.118 0.000 1.020 67 R CA -0.009 55.966 56.100 -0.209 0.000 0.855 67 R CB -0.113 30.045 30.300 -0.236 0.000 1.278 67 R HN 0.842 nan 8.270 nan 0.000 0.495 68 T N -2.178 112.321 114.554 -0.091 0.000 2.969 68 T HA 0.281 4.637 4.350 0.009 0.000 0.250 68 T C 0.421 175.096 174.700 -0.041 0.000 1.021 68 T CA 0.362 62.427 62.100 -0.058 0.000 1.003 68 T CB 0.364 69.199 68.868 -0.055 0.000 1.040 68 T HN 0.218 nan 8.240 nan 0.000 0.492 69 V N 2.155 122.040 119.914 -0.048 0.000 2.667 69 V HA 0.536 4.661 4.120 0.009 0.000 0.308 69 V C -0.952 175.126 176.094 -0.027 0.000 1.048 69 V CA -1.173 61.110 62.300 -0.028 0.000 0.928 69 V CB 1.758 33.567 31.823 -0.025 0.000 1.004 69 V HN 0.198 nan 8.190 nan 0.000 0.444 70 D N 3.597 123.999 120.400 0.003 0.000 2.312 70 D HA 0.423 5.069 4.640 0.009 0.000 0.252 70 D C -2.326 174.002 176.300 0.046 0.000 1.150 70 D CA -0.933 53.084 54.000 0.028 0.000 0.870 70 D CB 0.997 41.836 40.800 0.064 0.000 1.153 70 D HN 0.362 nan 8.370 nan 0.000 0.457 71 P HA 0.026 nan 4.420 nan 0.000 0.267 71 P C 0.618 178.022 177.300 0.173 0.000 1.201 71 P CA 0.002 63.140 63.100 0.064 0.000 0.775 71 P CB 0.514 32.227 31.700 0.022 0.000 0.854 72 T N -3.047 111.598 114.554 0.153 0.000 3.060 72 T HA 0.154 4.510 4.350 0.009 0.000 0.249 72 T C 0.545 175.428 174.700 0.305 0.000 1.079 72 T CA -0.164 62.080 62.100 0.239 0.000 1.013 72 T CB -0.215 68.727 68.868 0.124 0.000 0.975 72 T HN 0.474 nan 8.240 nan 0.000 0.518 73 S N 0.093 115.815 115.700 0.036 0.000 2.568 73 S HA 0.548 5.024 4.470 0.009 0.000 0.293 73 S C 0.713 174.784 174.600 -0.881 0.000 1.089 73 S CA -1.080 56.904 58.200 -0.360 0.000 0.945 73 S CB 3.023 66.109 63.200 -0.190 0.000 1.077 73 S HN 0.122 nan 8.310 nan 0.000 0.485 74 K N 1.741 121.178 120.400 -1.604 0.000 2.015 74 K HA -0.287 4.039 4.320 0.009 0.000 0.216 74 K C 1.913 178.278 176.600 -0.392 0.000 1.052 74 K CA 2.061 57.722 56.287 -1.044 0.000 0.937 74 K CB -0.517 31.561 32.500 -0.703 0.000 0.719 74 K HN 0.617 nan 8.250 nan 0.000 0.446 75 N N 0.379 118.909 118.700 -0.284 0.000 2.157 75 N HA -0.286 4.459 4.740 0.009 0.000 0.198 75 N C 1.559 177.013 175.510 -0.093 0.000 0.987 75 N CA 2.545 55.512 53.050 -0.137 0.000 0.899 75 N CB -0.634 37.785 38.487 -0.114 0.000 1.077 75 N HN 0.424 nan 8.380 nan 0.000 0.586 76 A N 0.487 123.239 122.820 -0.112 0.000 1.897 76 A HA -0.036 4.289 4.320 0.009 0.000 0.215 76 A C 2.443 180.004 177.584 -0.038 0.000 1.181 76 A CA 1.509 53.510 52.037 -0.059 0.000 0.620 76 A CB -0.571 18.398 19.000 -0.051 0.000 0.821 76 A HN 0.521 nan 8.150 nan 0.000 0.443 77 M N 0.005 119.584 119.600 -0.034 0.000 2.065 77 M HA -0.137 4.348 4.480 0.009 0.000 0.259 77 M C 2.274 178.637 176.300 0.106 0.000 1.071 77 M CA 2.066 57.395 55.300 0.048 0.000 1.109 77 M CB -0.282 32.406 32.600 0.146 0.000 1.313 77 M HN 0.362 nan 8.290 nan 0.000 0.408 78 A N -0.342 122.521 122.820 0.072 0.000 1.978 78 A HA -0.258 4.068 4.320 0.009 0.000 0.220 78 A C 1.950 179.559 177.584 0.041 0.000 1.170 78 A CA 2.185 54.246 52.037 0.040 0.000 0.636 78 A CB -0.988 18.019 19.000 0.013 0.000 0.810 78 A HN 0.779 nan 8.150 nan 0.000 0.448 79 E N -0.779 119.467 120.200 0.077 0.000 2.112 79 E HA -0.203 4.152 4.350 0.009 0.000 0.190 79 E C 2.151 178.796 176.600 0.075 0.000 0.979 79 E CA 1.004 57.474 56.400 0.116 0.000 0.814 79 E CB -0.161 29.575 29.700 0.059 0.000 0.762 79 E HN 0.759 nan 8.360 nan 0.000 0.460 80 Q N -0.845 118.956 119.800 0.002 0.000 2.167 80 Q HA -0.185 4.161 4.340 0.009 0.000 0.202 80 Q C 1.437 177.388 176.000 -0.081 0.000 0.970 80 Q CA 1.253 57.006 55.803 -0.083 0.000 0.855 80 Q CB -0.015 28.618 28.738 -0.176 0.000 0.911 80 Q HN 0.428 nan 8.270 nan 0.000 0.438 81 Y N -0.466 119.820 120.300 -0.024 0.000 2.114 81 Y HA -0.228 4.327 4.550 0.009 0.000 0.284 81 Y C 2.227 178.152 175.900 0.041 0.000 1.119 81 Y CA 1.937 60.037 58.100 -0.001 0.000 1.108 81 Y CB -0.352 38.038 38.460 -0.117 0.000 0.995 81 Y HN 0.281 nan 8.280 nan 0.000 0.491 82 H N -0.970 118.243 119.070 0.238 0.000 2.330 82 H HA -0.332 4.229 4.556 0.009 0.000 0.290 82 H C 2.223 177.607 175.328 0.093 0.000 1.111 82 H CA 1.124 57.256 56.048 0.138 0.000 1.226 82 H CB -0.283 29.546 29.762 0.111 0.000 1.355 82 H HN 0.459 nan 8.280 nan 0.000 0.485 83 A N 1.040 123.973 122.820 0.188 0.000 1.845 83 A HA -0.208 4.118 4.320 0.009 0.000 0.215 83 A C 2.186 179.812 177.584 0.071 0.000 1.195 83 A CA 1.850 53.944 52.037 0.095 0.000 0.616 83 A CB -0.345 18.677 19.000 0.038 0.000 0.832 83 A HN 0.411 nan 8.150 nan 0.000 0.443 84 N N -0.453 118.278 118.700 0.051 0.000 2.331 84 N HA -0.092 4.653 4.740 0.009 0.000 0.180 84 N C 1.740 177.372 175.510 0.203 0.000 1.019 84 N CA 1.217 54.274 53.050 0.012 0.000 0.881 84 N CB -0.637 37.676 38.487 -0.289 0.000 0.972 84 N HN 0.529 nan 8.380 nan 0.000 0.435 85 C N 0.866 120.319 119.300 0.256 0.000 2.455 85 C HA 0.004 4.469 4.460 0.009 0.000 0.281 85 C C 2.695 177.598 174.990 -0.146 0.000 1.237 85 C CA 0.618 59.673 59.018 0.063 0.000 1.726 85 C CB -0.843 26.910 27.740 0.021 0.000 2.068 85 C HN 0.421 nan 8.230 nan 0.000 0.466 86 M N 0.612 120.186 119.600 -0.043 0.000 2.557 86 M HA -0.013 4.473 4.480 0.009 0.000 0.259 86 M C 2.176 178.514 176.300 0.064 0.000 1.086 86 M CA 0.979 56.274 55.300 -0.009 0.000 1.096 86 M CB -0.258 32.392 32.600 0.083 0.000 1.424 86 M HN 0.478 nan 8.290 nan 0.000 0.488 87 A N -0.466 122.388 122.820 0.056 0.000 1.877 87 A HA -0.232 4.094 4.320 0.009 0.000 0.216 87 A C 2.314 179.953 177.584 0.091 0.000 1.186 87 A CA 1.930 54.006 52.037 0.064 0.000 0.620 87 A CB -1.347 17.677 19.000 0.039 0.000 0.822 87 A HN 0.642 nan 8.150 nan 0.000 0.443 88 C N -0.915 118.446 119.300 0.101 0.000 2.466 88 C HA -0.043 4.423 4.460 0.009 0.000 0.278 88 C C 2.487 177.621 174.990 0.240 0.000 1.288 88 C CA 1.156 60.264 59.018 0.150 0.000 1.722 88 C CB -1.639 26.201 27.740 0.167 0.000 2.017 88 C HN 0.730 nan 8.230 nan 0.000 0.488 89 H N 0.398 119.536 119.070 0.113 0.000 2.289 89 H HA -0.200 4.361 4.556 0.009 0.000 0.294 89 H C 2.230 177.611 175.328 0.088 0.000 1.095 89 H CA 2.118 58.227 56.048 0.101 0.000 1.256 89 H CB -0.260 29.565 29.762 0.106 0.000 1.359 89 H HN 0.642 nan 8.280 nan 0.000 0.487 90 E N 0.632 120.961 120.200 0.216 0.000 2.147 90 E HA -0.206 4.150 4.350 0.009 0.000 0.199 90 E C 1.911 178.577 176.600 0.110 0.000 1.005 90 E CA 1.505 57.984 56.400 0.133 0.000 0.810 90 E CB -0.073 29.687 29.700 0.100 0.000 0.736 90 E HN 0.626 nan 8.360 nan 0.000 0.460 91 K N 0.535 121.005 120.400 0.116 0.000 2.458 91 K HA 0.047 4.372 4.320 0.009 0.000 0.194 91 K C 1.273 177.936 176.600 0.105 0.000 1.024 91 K CA 0.650 56.994 56.287 0.095 0.000 1.108 91 K CB 0.693 33.241 32.500 0.080 0.000 0.846 91 K HN 0.136 nan 8.250 nan 0.000 0.518 92 V N -4.041 115.950 119.914 0.129 0.000 3.337 92 V HA 0.148 4.273 4.120 0.009 0.000 0.307 92 V C 1.459 177.635 176.094 0.138 0.000 1.505 92 V CA -0.484 61.908 62.300 0.152 0.000 1.072 92 V CB 0.256 32.206 31.823 0.211 0.000 0.929 92 V HN -0.026 nan 8.190 nan 0.000 0.455 93 V N 2.510 122.484 119.914 0.100 0.000 2.357 93 V HA -0.293 3.833 4.120 0.009 0.000 0.257 93 V C 2.746 178.863 176.094 0.037 0.000 1.082 93 V CA 3.099 65.439 62.300 0.066 0.000 1.078 93 V CB -1.137 30.720 31.823 0.056 0.000 0.663 93 V HN 0.721 nan 8.190 nan 0.000 0.455 94 G N -1.208 107.610 108.800 0.031 0.000 2.511 94 G HA2 -0.262 3.703 3.960 0.009 0.000 0.216 94 G HA3 -0.262 3.703 3.960 0.009 0.000 0.216 94 G C 1.828 176.699 174.900 -0.048 0.000 1.218 94 G CA 1.186 46.284 45.100 -0.003 0.000 0.788 94 G HN 0.540 nan 8.290 nan 0.000 0.560 95 S N -0.395 115.274 115.700 -0.051 0.000 2.345 95 S HA 0.009 4.485 4.470 0.009 0.000 0.220 95 S C 0.251 174.591 174.600 -0.434 0.000 1.031 95 S CA 0.891 58.954 58.200 -0.229 0.000 0.996 95 S CB -0.223 62.912 63.200 -0.109 0.000 0.882 95 S HN 0.370 nan 8.310 nan 0.000 0.445 96 Y N 0.713 120.994 120.300 -0.031 0.000 2.686 96 Y HA 0.382 4.936 4.550 0.007 0.000 0.331 96 Y C -2.314 173.551 175.900 -0.058 0.000 0.996 96 Y CA -2.400 55.666 58.100 -0.057 0.000 1.293 96 Y CB 1.167 39.575 38.460 -0.087 0.000 1.092 96 Y HN 0.126 nan 8.280 nan 0.000 0.524 97 P HA -0.057 nan 4.420 nan 0.000 0.227 97 P C 1.281 178.588 177.300 0.011 0.000 1.161 97 P CA 1.075 64.184 63.100 0.016 0.000 0.788 97 P CB 0.206 31.901 31.700 -0.008 0.000 0.822 98 T N -3.375 111.188 114.554 0.014 0.000 3.194 98 T HA 0.342 4.697 4.350 0.009 0.000 0.251 98 T C 0.923 175.595 174.700 -0.047 0.000 1.132 98 T CA -0.264 61.834 62.100 -0.004 0.000 1.028 98 T CB -0.773 68.097 68.868 0.005 0.000 0.976 98 T HN 0.031 nan 8.240 nan 0.000 0.535 99 A N 3.036 125.804 122.820 -0.087 0.000 2.451 99 A HA 0.522 4.848 4.320 0.009 0.000 0.266 99 A C -2.366 175.101 177.584 -0.195 0.000 1.119 99 A CA -1.579 50.281 52.037 -0.294 0.000 0.786 99 A CB -0.125 18.623 19.000 -0.419 0.000 1.061 99 A HN 0.221 nan 8.150 nan 0.000 0.503 100 P HA 0.018 nan 4.420 nan 0.000 0.264 100 P C 0.329 177.757 177.300 0.214 0.000 1.183 100 P CA 0.235 63.391 63.100 0.093 0.000 0.763 100 P CB 0.604 32.400 31.700 0.159 0.000 0.807 101 Q N 2.072 121.957 119.800 0.143 0.000 2.442 101 Q HA 0.267 4.612 4.340 0.009 0.000 0.228 101 Q C 1.050 177.115 176.000 0.108 0.000 0.902 101 Q CA 1.160 57.042 55.803 0.131 0.000 0.933 101 Q CB 0.454 29.242 28.738 0.082 0.000 1.071 101 Q HN 0.566 nan 8.270 nan 0.000 0.562 102 A N -0.666 122.203 122.820 0.082 0.000 3.552 102 A HA 0.154 4.479 4.320 0.009 0.000 0.197 102 A C 1.373 178.963 177.584 0.009 0.000 1.306 102 A CA 0.553 52.612 52.037 0.036 0.000 1.195 102 A CB -1.451 17.555 19.000 0.011 0.000 0.849 102 A HN 0.175 nan 8.150 nan 0.000 0.402 103 A N 0.547 123.375 122.820 0.014 0.000 2.209 103 A HA 0.244 4.569 4.320 0.009 0.000 0.212 103 A C 0.639 178.239 177.584 0.027 0.000 1.158 103 A CA 1.085 53.126 52.037 0.008 0.000 0.742 103 A CB -0.529 18.475 19.000 0.007 0.000 0.790 103 A HN 0.572 nan 8.150 nan 0.000 0.472 104 E N -0.068 120.162 120.200 0.050 0.000 1.979 104 E HA 0.143 4.498 4.350 0.009 0.000 0.285 104 E C 0.377 177.035 176.600 0.098 0.000 1.188 104 E CA -0.626 55.814 56.400 0.067 0.000 1.214 104 E CB -0.188 29.555 29.700 0.072 0.000 1.210 104 E HN 0.520 nan 8.360 nan 0.000 0.477 105 C N 1.339 120.691 119.300 0.086 0.000 2.429 105 C HA -0.122 4.344 4.460 0.009 0.000 0.277 105 C C 2.218 177.316 174.990 0.180 0.000 1.262 105 C CA 0.673 59.766 59.018 0.125 0.000 1.733 105 C CB -0.327 27.436 27.740 0.038 0.000 2.010 105 C HN 0.579 nan 8.230 nan 0.000 0.483 106 K N 0.282 120.753 120.400 0.119 0.000 2.366 106 K HA 0.020 4.346 4.320 0.009 0.000 0.198 106 K C 2.228 178.893 176.600 0.108 0.000 1.044 106 K CA 0.568 56.923 56.287 0.113 0.000 0.973 106 K CB -0.065 32.479 32.500 0.074 0.000 0.767 106 K HN 0.463 nan 8.250 nan 0.000 0.475 107 R N -0.628 119.938 120.500 0.109 0.000 2.115 107 R HA -0.033 4.312 4.340 0.009 0.000 0.226 107 R C 1.799 178.169 176.300 0.117 0.000 1.100 107 R CA 1.206 57.367 56.100 0.102 0.000 0.980 107 R CB -0.253 30.105 30.300 0.096 0.000 0.875 107 R HN 0.251 nan 8.270 nan 0.000 0.445 108 C N -1.118 118.260 119.300 0.130 0.000 2.480 108 C HA 0.129 4.595 4.460 0.009 0.000 0.304 108 C C 1.225 176.178 174.990 -0.061 0.000 1.399 108 C CA -0.335 58.715 59.018 0.053 0.000 1.900 108 C CB -0.487 27.287 27.740 0.056 0.000 2.194 108 C HN 0.407 nan 8.230 nan 0.000 0.550 109 H N 2.124 121.235 119.070 0.068 0.000 3.045 109 H HA 0.160 4.721 4.556 0.010 0.000 0.254 109 H C 1.121 176.476 175.328 0.045 0.000 1.747 109 H CA 0.225 56.301 56.048 0.047 0.000 1.444 109 H CB 0.298 30.088 29.762 0.047 0.000 1.778 109 H HN 0.426 nan 8.280 nan 0.000 0.544 110 V N 0.115 120.081 119.914 0.087 0.000 3.623 110 V HA 0.312 4.438 4.120 0.009 0.000 0.271 110 V C 1.193 177.327 176.094 0.067 0.000 1.248 110 V CA 0.634 62.982 62.300 0.080 0.000 1.156 110 V CB -0.160 31.711 31.823 0.081 0.000 0.870 110 V HN 0.853 nan 8.190 nan 0.000 0.453 111 G N 0.756 109.594 108.800 0.064 0.000 2.516 111 G HA2 -0.133 3.833 3.960 0.009 0.000 0.220 111 G HA3 -0.133 3.833 3.960 0.009 0.000 0.220 111 G C -2.740 172.178 174.900 0.030 0.000 1.165 111 G CA -0.332 44.799 45.100 0.051 0.000 1.013 111 G HN 0.552 nan 8.290 nan 0.000 0.590 112 P HA 0.524 nan 4.420 nan 0.000 0.271 112 P C 0.273 177.579 177.300 0.010 0.000 1.216 112 P CA 1.004 64.113 63.100 0.016 0.000 0.771 112 P CB 1.172 32.883 31.700 0.018 0.000 0.864 113 G N 0.570 109.368 108.800 -0.004 0.000 2.619 113 G HA2 0.585 4.551 3.960 0.009 0.000 0.296 113 G HA3 0.585 4.551 3.960 0.009 0.000 0.296 113 G C -1.768 173.120 174.900 -0.019 0.000 1.334 113 G CA -0.618 44.472 45.100 -0.017 0.000 0.934 113 G HN 0.343 nan 8.290 nan 0.000 0.476 114 V N 0.728 120.630 119.914 -0.021 0.000 2.483 114 V HA 0.335 4.461 4.120 0.009 0.000 0.297 114 V C -0.274 175.796 176.094 -0.040 0.000 1.027 114 V CA -0.809 61.479 62.300 -0.019 0.000 0.855 114 V CB 1.605 33.427 31.823 -0.001 0.000 0.995 114 V HN 0.810 nan 8.190 nan 0.000 0.424 115 E N 3.346 123.518 120.200 -0.047 0.000 2.104 115 E HA 0.225 4.581 4.350 0.009 0.000 0.278 115 E C 1.379 177.948 176.600 -0.052 0.000 1.127 115 E CA 0.316 56.676 56.400 -0.067 0.000 0.897 115 E CB 1.269 30.927 29.700 -0.070 0.000 1.043 115 E HN 0.877 nan 8.360 nan 0.000 0.410 116 G N 3.714 112.487 108.800 -0.045 0.000 2.574 116 G HA2 -0.414 3.552 3.960 0.009 0.000 0.220 116 G HA3 -0.414 3.552 3.960 0.009 0.000 0.220 116 G C 1.523 176.408 174.900 -0.026 0.000 1.173 116 G CA 0.968 46.056 45.100 -0.020 0.000 0.772 116 G HN 0.620 nan 8.290 nan 0.000 0.585 117 A N -0.589 122.177 122.820 -0.089 0.000 2.084 117 A HA -0.085 4.241 4.320 0.009 0.000 0.221 117 A C 2.396 179.977 177.584 -0.006 0.000 1.161 117 A CA 2.463 54.431 52.037 -0.114 0.000 0.653 117 A CB -0.915 17.738 19.000 -0.578 0.000 0.802 117 A HN 0.393 nan 8.150 nan 0.000 0.457 118 T N -1.979 112.562 114.554 -0.021 0.000 3.072 118 T HA 0.084 4.439 4.350 0.009 0.000 0.266 118 T C 1.344 176.056 174.700 0.021 0.000 1.127 118 T CA 1.468 63.572 62.100 0.008 0.000 1.107 118 T CB -0.195 68.670 68.868 -0.005 0.000 0.910 118 T HN 0.152 nan 8.240 nan 0.000 0.513 119 V N -0.627 119.300 119.914 0.022 0.000 3.090 119 V HA 0.198 4.323 4.120 0.009 0.000 0.237 119 V C 1.462 177.573 176.094 0.029 0.000 1.209 119 V CA 0.333 62.646 62.300 0.022 0.000 1.209 119 V CB 0.551 32.383 31.823 0.014 0.000 0.971 119 V HN 0.305 nan 8.190 nan 0.000 0.477 120 T N 2.173 116.751 114.554 0.039 0.000 2.791 120 T HA 0.119 4.474 4.350 0.009 0.000 0.323 120 T C -2.412 172.322 174.700 0.056 0.000 1.082 120 T CA -0.465 61.663 62.100 0.047 0.000 1.084 120 T CB 0.765 69.675 68.868 0.070 0.000 0.992 120 T HN 0.179 nan 8.240 nan 0.000 0.547 121 P HA 0.374 nan 4.420 nan 0.000 0.284 121 P C -0.917 176.409 177.300 0.043 0.000 1.253 121 P CA -0.669 62.446 63.100 0.026 0.000 0.800 121 P CB 0.422 32.116 31.700 -0.010 0.000 0.961 122 K N 4.012 124.444 120.400 0.054 0.000 2.484 122 K HA 0.111 4.437 4.320 0.009 0.000 0.280 122 K C -1.905 174.719 176.600 0.040 0.000 1.013 122 K CA -0.765 55.557 56.287 0.059 0.000 1.029 122 K CB -1.053 31.478 32.500 0.053 0.000 0.902 122 K HN 0.412 nan 8.250 nan 0.000 0.481 123 P HA 0.012 nan 4.420 nan 0.000 0.267 123 P C -0.981 176.377 177.300 0.098 0.000 1.205 123 P CA -0.173 63.001 63.100 0.124 0.000 0.765 123 P CB 0.935 32.623 31.700 -0.020 0.000 0.828 124 S N 2.213 118.014 115.700 0.167 0.000 2.618 124 S HA 0.573 5.049 4.470 0.009 0.000 0.277 124 S C -0.550 174.094 174.600 0.073 0.000 1.138 124 S CA -1.051 57.197 58.200 0.080 0.000 0.844 124 S CB 1.134 64.381 63.200 0.078 0.000 1.127 124 S HN 0.239 nan 8.310 nan 0.000 0.474 125 L N 2.874 124.101 121.223 0.006 0.000 2.315 125 L HA 0.370 4.716 4.340 0.009 0.000 0.278 125 L C -0.013 176.905 176.870 0.079 0.000 1.088 125 L CA -0.776 54.069 54.840 0.008 0.000 0.899 125 L CB -0.296 41.712 42.059 -0.084 0.000 1.277 125 L HN 0.794 nan 8.230 nan 0.000 0.431 126 D N 2.261 122.728 120.400 0.112 0.000 2.369 126 D HA 0.003 4.649 4.640 0.009 0.000 0.241 126 D C 1.177 177.547 176.300 0.116 0.000 1.271 126 D CA -0.303 53.760 54.000 0.105 0.000 0.942 126 D CB 1.025 41.894 40.800 0.115 0.000 1.129 126 D HN 0.236 nan 8.370 nan 0.000 0.476 127 L N -0.426 120.851 121.223 0.090 0.000 2.042 127 L HA -0.187 4.159 4.340 0.009 0.000 0.210 127 L C 2.425 179.377 176.870 0.137 0.000 1.076 127 L CA 1.417 56.313 54.840 0.092 0.000 0.749 127 L CB -0.736 41.360 42.059 0.062 0.000 0.893 127 L HN 0.548 nan 8.230 nan 0.000 0.432 128 N N 0.634 119.407 118.700 0.120 0.000 2.058 128 N HA -0.201 4.544 4.740 0.009 0.000 0.191 128 N C 1.956 177.549 175.510 0.138 0.000 1.037 128 N CA 1.462 54.582 53.050 0.116 0.000 0.848 128 N CB 0.008 38.556 38.487 0.102 0.000 1.021 128 N HN 0.166 nan 8.380 nan 0.000 0.422 129 L N 1.499 122.816 121.223 0.157 0.000 2.056 129 L HA -0.115 4.230 4.340 0.009 0.000 0.207 129 L C 2.523 179.532 176.870 0.232 0.000 1.078 129 L CA 1.592 56.536 54.840 0.173 0.000 0.749 129 L CB -1.105 41.042 42.059 0.147 0.000 0.901 129 L HN 0.329 nan 8.230 nan 0.000 0.433 130 H N -0.607 118.507 119.070 0.073 0.000 2.353 130 H HA -0.165 4.397 4.556 0.010 0.000 0.298 130 H C 1.874 177.269 175.328 0.111 0.000 1.103 130 H CA 1.769 57.844 56.048 0.044 0.000 1.293 130 H CB -0.098 29.675 29.762 0.019 0.000 1.372 130 H HN 0.484 nan 8.280 nan 0.000 0.501 131 G N 0.355 109.285 108.800 0.215 0.000 2.408 131 G HA2 -0.209 3.756 3.960 0.009 0.000 0.217 131 G HA3 -0.209 3.756 3.960 0.009 0.000 0.217 131 G C 2.010 176.955 174.900 0.075 0.000 1.150 131 G CA 0.328 45.518 45.100 0.150 0.000 0.776 131 G HN 0.361 nan 8.290 nan 0.000 0.542 132 R N -0.752 119.796 120.500 0.080 0.000 2.120 132 R HA -0.047 4.299 4.340 0.009 0.000 0.234 132 R C 2.263 178.529 176.300 -0.058 0.000 1.123 132 R CA 1.245 57.348 56.100 0.006 0.000 0.975 132 R CB -0.299 29.992 30.300 -0.016 0.000 0.866 132 R HN 0.445 nan 8.270 nan 0.000 0.446 133 H N -0.697 118.303 119.070 -0.115 0.000 2.436 133 H HA -0.009 4.553 4.556 0.010 0.000 0.294 133 H C 1.992 177.230 175.328 -0.150 0.000 1.048 133 H CA 1.075 57.033 56.048 -0.149 0.000 1.353 133 H CB 0.133 29.761 29.762 -0.222 0.000 1.414 133 H HN -0.091 nan 8.280 nan 0.000 0.536 134 V N -0.270 119.620 119.914 -0.038 0.000 2.307 134 V HA -0.215 3.910 4.120 0.009 0.000 0.245 134 V C 2.303 178.386 176.094 -0.018 0.000 1.045 134 V CA 1.416 63.694 62.300 -0.037 0.000 1.024 134 V CB -0.500 31.324 31.823 0.001 0.000 0.651 134 V HN 0.246 nan 8.190 nan 0.000 0.449 135 V N 0.338 120.243 119.914 -0.014 0.000 2.261 135 V HA -0.282 3.844 4.120 0.009 0.000 0.246 135 V C 2.735 178.807 176.094 -0.036 0.000 1.047 135 V CA 2.194 64.483 62.300 -0.018 0.000 1.015 135 V CB -1.191 30.624 31.823 -0.014 0.000 0.642 135 V HN 0.559 nan 8.190 nan 0.000 0.446 136 A N -0.255 122.528 122.820 -0.061 0.000 1.883 136 A HA -0.284 4.042 4.320 0.009 0.000 0.217 136 A C 2.193 179.743 177.584 -0.057 0.000 1.186 136 A CA 2.223 54.214 52.037 -0.076 0.000 0.624 136 A CB -0.601 18.319 19.000 -0.134 0.000 0.822 136 A HN 0.542 nan 8.150 nan 0.000 0.444 137 E N 0.149 120.319 120.200 -0.050 0.000 2.077 137 E HA -0.080 4.276 4.350 0.009 0.000 0.193 137 E C 2.080 178.659 176.600 -0.034 0.000 0.989 137 E CA 1.639 58.016 56.400 -0.038 0.000 0.800 137 E CB -0.546 29.132 29.700 -0.036 0.000 0.746 137 E HN 0.473 nan 8.360 nan 0.000 0.452 138 A N 0.925 123.727 122.820 -0.030 0.000 1.902 138 A HA -0.221 4.104 4.320 0.009 0.000 0.217 138 A C 2.179 179.750 177.584 -0.022 0.000 1.181 138 A CA 1.976 53.999 52.037 -0.023 0.000 0.623 138 A CB -0.612 18.380 19.000 -0.015 0.000 0.818 138 A HN 0.278 nan 8.150 nan 0.000 0.443 139 K N -0.655 119.730 120.400 -0.024 0.000 2.148 139 K HA -0.125 4.200 4.320 0.009 0.000 0.204 139 K C 2.294 178.880 176.600 -0.023 0.000 1.050 139 K CA 1.154 57.427 56.287 -0.023 0.000 0.942 139 K CB -0.179 32.304 32.500 -0.027 0.000 0.724 139 K HN 0.419 nan 8.250 nan 0.000 0.446 140 R N 0.599 121.083 120.500 -0.026 0.000 2.056 140 R HA -0.004 4.341 4.340 0.009 0.000 0.227 140 R C 2.084 178.372 176.300 -0.020 0.000 1.149 140 R CA 1.250 57.336 56.100 -0.023 0.000 0.937 140 R CB -0.331 29.954 30.300 -0.026 0.000 0.835 140 R HN 0.207 nan 8.270 nan 0.000 0.430 141 L N 2.078 123.288 121.223 -0.022 0.000 2.700 141 L HA -0.056 4.289 4.340 0.009 0.000 0.240 141 L C 0.250 177.110 176.870 -0.016 0.000 1.162 141 L CA 0.388 55.215 54.840 -0.020 0.000 0.874 141 L CB -0.210 41.833 42.059 -0.027 0.000 1.001 141 L HN 0.309 nan 8.230 nan 0.000 0.447 142 Q N -0.344 119.447 119.800 -0.015 0.000 2.434 142 Q HA -0.211 4.134 4.340 0.009 0.000 0.299 142 Q C -0.375 175.619 176.000 -0.010 0.000 1.286 142 Q CA 0.731 56.528 55.803 -0.012 0.000 0.872 142 Q CB -1.623 27.110 28.738 -0.009 0.000 1.193 142 Q HN 0.351 nan 8.270 nan 0.000 0.466 143 V N -1.465 118.442 119.914 -0.012 0.000 3.158 143 V HA 0.807 4.932 4.120 0.009 0.000 0.311 143 V C -0.348 175.742 176.094 -0.007 0.000 1.181 143 V CA -0.009 62.285 62.300 -0.010 0.000 1.054 143 V CB 2.031 33.846 31.823 -0.014 0.000 1.085 143 V HN 0.299 nan 8.190 nan 0.000 0.446 144 K N 0.904 121.303 120.400 -0.002 0.000 2.270 144 K HA 0.358 4.683 4.320 0.009 0.000 0.276 144 K C 0.847 177.450 176.600 0.004 0.000 1.023 144 K CA 0.513 56.802 56.287 0.003 0.000 0.955 144 K CB -0.010 32.495 32.500 0.008 0.000 0.975 144 K HN 0.868 nan 8.250 nan 0.000 0.471 145 E N 0.945 121.151 120.200 0.010 0.000 2.136 145 E HA -0.271 4.085 4.350 0.009 0.000 0.202 145 E C 1.480 178.092 176.600 0.019 0.000 1.019 145 E CA 1.771 58.180 56.400 0.014 0.000 0.819 145 E CB 0.130 29.846 29.700 0.026 0.000 0.739 145 E HN 0.936 nan 8.360 nan 0.000 0.458 146 D N 0.577 120.996 120.400 0.030 0.000 2.354 146 D HA -0.207 4.439 4.640 0.009 0.000 0.216 146 D C 1.526 177.837 176.300 0.019 0.000 0.970 146 D CA 0.959 54.985 54.000 0.044 0.000 0.905 146 D CB 0.046 40.881 40.800 0.060 0.000 0.903 146 D HN 0.098 nan 8.370 nan 0.000 0.508 147 E N 0.441 120.634 120.200 -0.011 0.000 2.479 147 E HA -0.021 4.335 4.350 0.009 0.000 0.193 147 E C 1.881 178.418 176.600 -0.106 0.000 1.049 147 E CA 0.383 56.754 56.400 -0.050 0.000 0.870 147 E CB 0.075 29.759 29.700 -0.026 0.000 0.944 147 E HN 0.307 nan 8.360 nan 0.000 0.492 148 S N -1.357 114.295 115.700 -0.080 0.000 2.461 148 S HA -0.116 4.360 4.470 0.009 0.000 0.228 148 S C 1.998 176.520 174.600 -0.129 0.000 1.005 148 S CA 0.688 58.837 58.200 -0.084 0.000 0.942 148 S CB -0.626 62.550 63.200 -0.040 0.000 0.776 148 S HN 0.384 nan 8.310 nan 0.000 0.514 149 C N 3.511 122.702 119.300 -0.181 0.000 2.462 149 C HA -0.015 4.450 4.460 0.009 0.000 0.278 149 C C 2.791 177.554 174.990 -0.378 0.000 1.253 149 C CA 0.912 59.841 59.018 -0.148 0.000 1.713 149 C CB -1.191 26.526 27.740 -0.037 0.000 2.049 149 C HN 0.825 nan 8.230 nan 0.000 0.477 150 K N 2.629 122.384 120.400 -1.075 0.000 2.259 150 K HA -0.258 4.068 4.320 0.009 0.000 0.206 150 K C 1.878 178.357 176.600 -0.202 0.000 1.044 150 K CA 2.175 58.011 56.287 -0.752 0.000 0.931 150 K CB -0.569 31.558 32.500 -0.622 0.000 0.726 150 K HN 0.448 nan 8.250 nan 0.000 0.467 151 A N 0.448 123.170 122.820 -0.163 0.000 2.024 151 A HA -0.117 4.208 4.320 0.009 0.000 0.220 151 A C 1.979 179.529 177.584 -0.056 0.000 1.164 151 A CA 1.565 53.556 52.037 -0.077 0.000 0.643 151 A CB -0.361 18.596 19.000 -0.071 0.000 0.806 151 A HN 0.640 nan 8.150 nan 0.000 0.451 152 C N -3.478 115.777 119.300 -0.075 0.000 3.721 152 C HA 0.297 4.762 4.460 0.009 0.000 0.562 152 C C 0.548 175.360 174.990 -0.296 0.000 1.399 152 C CA -0.733 58.180 59.018 -0.175 0.000 2.478 152 C CB -0.425 27.168 27.740 -0.245 0.000 3.668 152 C HN 0.555 nan 8.230 nan 0.000 0.565 153 H N 2.341 121.391 119.070 -0.032 0.000 2.527 153 H HA 0.448 5.010 4.556 0.010 0.000 0.321 153 H C -0.268 175.137 175.328 0.129 0.000 1.087 153 H CA 0.806 56.860 56.048 0.010 0.000 1.337 153 H CB 0.575 30.442 29.762 0.174 0.000 1.440 153 H HN 0.662 nan 8.280 nan 0.000 0.490 154 H N -0.351 118.887 119.070 0.281 0.000 2.990 154 H HA 0.489 5.050 4.556 0.009 0.000 0.336 154 H C -1.321 174.103 175.328 0.160 0.000 1.306 154 H CA -0.879 55.299 56.048 0.215 0.000 1.118 154 H CB 2.244 32.108 29.762 0.170 0.000 1.856 154 H HN 0.479 nan 8.280 nan 0.000 0.538 155 T N 0.318 115.076 114.554 0.339 0.000 2.900 155 T HA 0.254 4.609 4.350 0.009 0.000 0.303 155 T C -1.854 172.926 174.700 0.134 0.000 1.142 155 T CA -0.635 61.591 62.100 0.209 0.000 1.007 155 T CB 1.524 70.460 68.868 0.113 0.000 1.156 155 T HN 0.494 nan 8.240 nan 0.000 0.490 156 Y N 3.150 123.453 120.300 0.006 0.000 2.393 156 Y HA 0.399 4.954 4.550 0.009 0.000 0.338 156 Y C 0.163 176.054 175.900 -0.015 0.000 1.029 156 Y CA -0.461 57.623 58.100 -0.027 0.000 1.239 156 Y CB 0.545 38.982 38.460 -0.038 0.000 1.170 156 Y HN 0.472 nan 8.280 nan 0.000 0.515 157 D N 5.623 125.676 120.400 -0.578 0.000 2.316 157 D HA 0.081 4.727 4.640 0.009 0.000 0.245 157 D C 0.522 176.384 176.300 -0.730 0.000 1.171 157 D CA 0.140 53.862 54.000 -0.463 0.000 0.856 157 D CB 1.065 41.693 40.800 -0.286 0.000 1.090 157 D HN 0.783 nan 8.370 nan 0.000 0.476 158 E N 1.934 121.952 120.200 -0.303 0.000 2.051 158 E HA -0.050 4.306 4.350 0.009 0.000 0.189 158 E C 0.614 177.161 176.600 -0.089 0.000 0.979 158 E CA 0.440 56.798 56.400 -0.070 0.000 0.803 158 E CB 0.178 29.945 29.700 0.111 0.000 0.761 158 E HN 0.415 nan 8.360 nan 0.000 0.451 159 A N 1.200 123.967 122.820 -0.088 0.000 3.117 159 A HA 0.071 4.396 4.320 0.009 0.000 0.255 159 A C 0.806 178.332 177.584 -0.096 0.000 1.583 159 A CA 0.263 52.259 52.037 -0.068 0.000 1.234 159 A CB -0.174 18.799 19.000 -0.045 0.000 1.076 159 A HN 0.205 nan 8.150 nan 0.000 0.653 160 Q N -1.285 118.433 119.800 -0.138 0.000 1.469 160 Q HA 0.117 4.463 4.340 0.009 0.000 0.142 160 Q C 1.025 176.932 176.000 -0.154 0.000 0.735 160 Q CA 1.073 56.799 55.803 -0.129 0.000 0.682 160 Q CB -0.074 28.584 28.738 -0.134 0.000 1.162 160 Q HN 0.960 nan 8.270 nan 0.000 0.341 161 K N 0.391 120.668 120.400 -0.206 0.000 3.548 161 K HA -0.311 4.014 4.320 0.009 0.000 0.303 161 K C 0.144 176.634 176.600 -0.183 0.000 1.234 161 K CA 2.340 58.536 56.287 -0.152 0.000 1.024 161 K CB -2.403 30.087 32.500 -0.016 0.000 1.306 161 K HN 0.603 nan 8.250 nan 0.000 0.423 162 K N -1.151 119.097 120.400 -0.254 0.000 2.354 162 K HA 0.853 5.179 4.320 0.009 0.000 0.238 162 K C 0.054 176.516 176.600 -0.231 0.000 1.068 162 K CA -0.943 55.252 56.287 -0.153 0.000 0.925 162 K CB 1.499 33.959 32.500 -0.067 0.000 1.286 162 K HN 0.168 nan 8.250 nan 0.000 0.500 163 L N 2.036 123.212 121.223 -0.077 0.000 2.276 163 L HA 0.336 4.681 4.340 0.009 0.000 0.286 163 L C -0.329 176.533 176.870 -0.013 0.000 1.061 163 L CA -0.872 53.927 54.840 -0.068 0.000 0.807 163 L CB 1.458 43.415 42.059 -0.169 0.000 1.177 163 L HN 0.527 nan 8.230 nan 0.000 0.429 164 V N 0.690 120.621 119.914 0.027 0.000 2.960 164 V HA 0.424 4.549 4.120 0.009 0.000 0.315 164 V C -0.845 175.367 176.094 0.196 0.000 1.087 164 V CA -1.067 61.285 62.300 0.087 0.000 0.982 164 V CB 1.699 33.535 31.823 0.022 0.000 1.039 164 V HN 0.519 nan 8.190 nan 0.000 0.437 165 Y N 2.871 123.224 120.300 0.089 0.000 2.436 165 Y HA 0.649 5.205 4.550 0.010 0.000 0.336 165 Y C 0.416 176.355 175.900 0.065 0.000 1.049 165 Y CA -0.538 57.623 58.100 0.101 0.000 1.294 165 Y CB 0.401 38.911 38.460 0.085 0.000 1.179 165 Y HN 1.033 nan 8.280 nan 0.000 0.520 166 A N 8.114 130.691 122.820 -0.405 0.000 2.478 166 A HA 0.261 4.586 4.320 0.009 0.000 0.327 166 A C 0.062 177.128 177.584 -0.864 0.000 1.431 166 A CA -0.927 50.815 52.037 -0.492 0.000 1.014 166 A CB -0.326 18.550 19.000 -0.206 0.000 1.143 166 A HN 0.826 nan 8.150 nan 0.000 0.532 167 K N 2.095 121.836 120.400 -1.100 0.000 2.530 167 K HA 0.203 4.528 4.320 0.009 0.000 0.280 167 K C 1.169 177.592 176.600 -0.297 0.000 1.004 167 K CA 1.395 57.279 56.287 -0.672 0.000 1.071 167 K CB -0.045 32.318 32.500 -0.229 0.000 0.876 167 K HN 1.601 nan 8.250 nan 0.000 0.487 168 G N 3.368 112.066 108.800 -0.170 0.000 2.159 168 G HA2 -0.261 3.705 3.960 0.009 0.000 0.256 168 G HA3 -0.261 3.705 3.960 0.009 0.000 0.256 168 G C 0.210 175.029 174.900 -0.135 0.000 0.977 168 G CA 0.532 45.560 45.100 -0.120 0.000 0.652 168 G HN 0.778 nan 8.290 nan 0.000 0.531 169 E N -0.049 120.056 120.200 -0.159 0.000 2.693 169 E HA 0.242 4.598 4.350 0.009 0.000 0.214 169 E C 0.261 176.810 176.600 -0.085 0.000 0.990 169 E CA -0.283 56.050 56.400 -0.113 0.000 1.047 169 E CB 0.403 30.044 29.700 -0.098 0.000 1.039 169 E HN 0.647 nan 8.360 nan 0.000 0.475 170 E N 0.462 120.573 120.200 -0.149 0.000 2.408 170 E HA 0.502 4.858 4.350 0.009 0.000 0.259 170 E C 0.468 176.965 176.600 -0.171 0.000 1.110 170 E CA 0.178 56.396 56.400 -0.304 0.000 0.929 170 E CB 0.932 30.296 29.700 -0.561 0.000 0.971 170 E HN 0.193 nan 8.360 nan 0.000 0.438 171 G N -0.270 108.463 108.800 -0.111 0.000 2.313 171 G HA2 0.245 4.211 3.960 0.009 0.000 0.296 171 G HA3 0.245 4.211 3.960 0.009 0.000 0.296 171 G C -0.984 173.934 174.900 0.031 0.000 1.356 171 G CA -0.616 44.506 45.100 0.037 0.000 0.833 171 G HN 0.478 nan 8.290 nan 0.000 0.552 172 S N -0.926 114.593 115.700 -0.302 0.000 2.546 172 S HA 0.129 4.605 4.470 0.009 0.000 0.290 172 S C 1.880 176.302 174.600 -0.296 0.000 1.290 172 S CA 0.280 58.230 58.200 -0.416 0.000 1.069 172 S CB -0.338 62.360 63.200 -0.837 0.000 0.846 172 S HN 1.001 nan 8.310 nan 0.000 0.495 173 C N 4.534 123.767 119.300 -0.112 0.000 2.396 173 C HA -0.101 4.364 4.460 0.009 0.000 0.277 173 C C 2.461 177.477 174.990 0.044 0.000 1.231 173 C CA 0.687 59.710 59.018 0.007 0.000 1.775 173 C CB -1.576 26.147 27.740 -0.027 0.000 2.036 173 C HN 0.837 nan 8.230 nan 0.000 0.484 174 V N -0.234 119.638 119.914 -0.070 0.000 3.383 174 V HA -0.155 3.971 4.120 0.009 0.000 0.272 174 V C 1.754 177.896 176.094 0.080 0.000 1.181 174 V CA 1.366 63.666 62.300 -0.000 0.000 1.171 174 V CB -1.088 30.720 31.823 -0.025 0.000 0.800 174 V HN 0.553 nan 8.190 nan 0.000 0.515 175 Y N -1.359 118.967 120.300 0.045 0.000 2.561 175 Y HA -0.002 4.554 4.550 0.010 0.000 0.291 175 Y C 2.142 178.033 175.900 -0.016 0.000 1.141 175 Y CA 0.116 58.224 58.100 0.013 0.000 1.303 175 Y CB -0.519 37.944 38.460 0.006 0.000 1.015 175 Y HN 0.353 nan 8.280 nan 0.000 0.547 176 C N -2.902 116.454 119.300 0.092 0.000 3.276 176 C HA 0.209 4.674 4.460 0.009 0.000 0.512 176 C C 0.476 175.357 174.990 -0.182 0.000 1.376 176 C CA -0.248 58.725 59.018 -0.075 0.000 2.319 176 C CB -0.170 27.471 27.740 -0.166 0.000 3.330 176 C HN 0.246 nan 8.230 nan 0.000 0.596 177 H N 2.740 121.842 119.070 0.055 0.000 2.872 177 H HA 0.367 4.929 4.556 0.010 0.000 0.273 177 H C -0.159 175.181 175.328 0.020 0.000 1.205 177 H CA 0.661 56.726 56.048 0.029 0.000 1.342 177 H CB 0.274 30.044 29.762 0.012 0.000 1.469 177 H HN 0.513 nan 8.280 nan 0.000 0.487 178 K N 1.403 121.866 120.400 0.104 0.000 2.280 178 K HA 0.100 4.425 4.320 0.009 0.000 0.234 178 K C 1.157 177.792 176.600 0.058 0.000 1.028 178 K CA -0.868 55.463 56.287 0.073 0.000 0.882 178 K CB 1.944 34.477 32.500 0.055 0.000 1.194 178 K HN 0.265 nan 8.250 nan 0.000 0.458 179 Q N 1.313 121.140 119.800 0.046 0.000 2.014 179 Q HA -0.188 4.157 4.340 0.009 0.000 0.207 179 Q C -0.447 175.572 176.000 0.031 0.000 0.993 179 Q CA 1.826 57.650 55.803 0.035 0.000 0.850 179 Q CB 0.097 28.855 28.738 0.033 0.000 0.916 179 Q HN 0.490 nan 8.270 nan 0.000 0.417 180 E N 1.782 121.999 120.200 0.028 0.000 2.081 180 E HA 0.290 4.646 4.350 0.009 0.000 0.281 180 E C -2.341 174.272 176.600 0.021 0.000 0.986 180 E CA -2.175 54.237 56.400 0.020 0.000 0.796 180 E CB 1.074 30.783 29.700 0.015 0.000 1.085 180 E HN 0.270 nan 8.360 nan 0.000 0.398 181 P HA -0.018 nan 4.420 nan 0.000 0.268 181 P C -0.426 176.876 177.300 0.003 0.000 1.205 181 P CA 0.013 63.127 63.100 0.023 0.000 0.771 181 P CB 0.541 32.258 31.700 0.028 0.000 0.858 182 L N 4.910 126.129 121.223 -0.006 0.000 2.452 182 L HA 0.232 4.577 4.340 0.009 0.000 0.267 182 L C -1.701 175.148 176.870 -0.035 0.000 1.188 182 L CA -1.931 52.895 54.840 -0.022 0.000 0.821 182 L CB -0.188 41.851 42.059 -0.033 0.000 1.102 182 L HN 0.259 nan 8.230 nan 0.000 0.470 183 P HA -0.016 nan 4.420 nan 0.000 0.266 183 P C -0.227 177.027 177.300 -0.077 0.000 1.215 183 P CA 0.057 63.126 63.100 -0.052 0.000 0.763 183 P CB 1.045 32.719 31.700 -0.044 0.000 0.806 184 S N 4.758 120.399 115.700 -0.098 0.000 2.587 184 S HA 0.235 4.711 4.470 0.009 0.000 0.260 184 S C -2.114 172.370 174.600 -0.193 0.000 1.353 184 S CA -0.792 57.311 58.200 -0.162 0.000 0.995 184 S CB -0.664 62.426 63.200 -0.182 0.000 0.912 184 S HN 0.331 nan 8.310 nan 0.000 0.568 185 P HA 0.538 nan 4.420 nan 0.000 0.262 185 P C -1.230 175.759 177.300 -0.518 0.000 1.579 185 P CA -0.347 62.552 63.100 -0.334 0.000 1.111 185 P CB 0.942 32.499 31.700 -0.238 0.000 1.386 190 R N -0.750 119.715 120.500 -0.058 0.000 2.705 190 R HA 0.773 5.119 4.340 0.009 0.000 0.246 190 R C 0.465 176.730 176.300 -0.058 0.000 1.142 190 R CA -0.826 55.242 56.100 -0.053 0.000 1.114 190 R CB 0.838 31.105 30.300 -0.054 0.000 1.256 190 R HN -0.034 nan 8.270 nan 0.000 0.536 191 V N -1.653 118.237 119.914 -0.041 0.000 2.713 191 V HA 0.415 4.541 4.120 0.009 0.000 0.307 191 V C 0.272 176.351 176.094 -0.026 0.000 1.052 191 V CA -1.173 61.108 62.300 -0.032 0.000 0.967 191 V CB 1.719 33.535 31.823 -0.011 0.000 1.019 191 V HN 0.453 nan 8.190 nan 0.000 0.459 192 V N 5.024 124.920 119.914 -0.029 0.000 2.439 192 V HA 0.250 4.376 4.120 0.009 0.000 0.271 192 V C -1.756 174.393 176.094 0.091 0.000 1.040 192 V CA -1.157 61.138 62.300 -0.009 0.000 1.002 192 V CB 0.534 32.291 31.823 -0.111 0.000 1.000 192 V HN 0.883 nan 8.190 nan 0.000 0.477 193 P HA 0.041 nan 4.420 nan 0.000 0.267 193 P C 0.168 177.605 177.300 0.228 0.000 1.201 193 P CA 0.082 63.286 63.100 0.172 0.000 0.775 193 P CB 0.402 32.185 31.700 0.138 0.000 0.854 194 S N 0.901 116.670 115.700 0.115 0.000 2.580 194 S HA 0.025 4.501 4.470 0.009 0.000 0.266 194 S C 1.389 176.025 174.600 0.060 0.000 1.354 194 S CA 0.209 58.462 58.200 0.089 0.000 1.008 194 S CB -0.667 62.562 63.200 0.048 0.000 0.898 194 S HN 0.512 nan 8.310 nan 0.000 0.555 195 T N 1.471 116.056 114.554 0.052 0.000 2.620 195 T HA -0.257 4.098 4.350 0.009 0.000 0.267 195 T C 1.863 176.491 174.700 -0.120 0.000 1.044 195 T CA 1.898 63.990 62.100 -0.014 0.000 1.161 195 T CB -0.525 68.341 68.868 -0.004 0.000 0.862 195 T HN 0.708 nan 8.240 nan 0.000 0.438 196 R N 0.873 121.304 120.500 -0.114 0.000 2.080 196 R HA -0.162 4.184 4.340 0.009 0.000 0.236 196 R C 2.083 178.208 176.300 -0.292 0.000 1.137 196 R CA 2.114 58.074 56.100 -0.234 0.000 0.943 196 R CB -0.346 29.912 30.300 -0.070 0.000 0.846 196 R HN 0.363 nan 8.270 nan 0.000 0.431 197 D N 0.056 120.415 120.400 -0.068 0.000 2.097 197 D HA -0.109 4.537 4.640 0.009 0.000 0.197 197 D C 1.765 178.046 176.300 -0.033 0.000 0.984 197 D CA 1.471 55.484 54.000 0.023 0.000 0.826 197 D CB -0.359 40.483 40.800 0.070 0.000 0.973 197 D HN 0.385 nan 8.370 nan 0.000 0.460 198 A N 0.646 123.384 122.820 -0.138 0.000 1.940 198 A HA -0.161 4.164 4.320 0.009 0.000 0.219 198 A C 2.459 179.911 177.584 -0.220 0.000 1.176 198 A CA 1.829 53.700 52.037 -0.277 0.000 0.631 198 A CB -0.488 18.060 19.000 -0.754 0.000 0.814 198 A HN 0.147 nan 8.150 nan 0.000 0.446 199 S N -1.009 114.548 115.700 -0.238 0.000 2.345 199 S HA -0.122 4.353 4.470 0.009 0.000 0.220 199 S C 1.743 176.262 174.600 -0.136 0.000 1.031 199 S CA 1.344 59.406 58.200 -0.230 0.000 0.996 199 S CB -0.579 62.447 63.200 -0.291 0.000 0.882 199 S HN 0.819 nan 8.310 nan 0.000 0.445 200 H N 0.853 119.887 119.070 -0.059 0.000 2.319 200 H HA -0.136 4.426 4.556 0.010 0.000 0.297 200 H C 2.414 177.809 175.328 0.111 0.000 1.097 200 H CA 1.618 57.619 56.048 -0.078 0.000 1.285 200 H CB -0.088 29.608 29.762 -0.111 0.000 1.368 200 H HN 0.500 nan 8.280 nan 0.000 0.495 201 E N 0.382 120.753 120.200 0.285 0.000 2.110 201 E HA -0.169 4.187 4.350 0.009 0.000 0.193 201 E C 2.309 178.992 176.600 0.139 0.000 0.988 201 E CA 1.269 57.827 56.400 0.263 0.000 0.804 201 E CB 0.017 29.782 29.700 0.109 0.000 0.745 201 E HN 0.201 nan 8.360 nan 0.000 0.458 202 S N -0.935 114.781 115.700 0.027 0.000 2.327 202 S HA -0.082 4.393 4.470 0.009 0.000 0.213 202 S C 2.066 176.607 174.600 -0.098 0.000 1.032 202 S CA 0.940 59.109 58.200 -0.051 0.000 0.960 202 S CB -0.426 62.702 63.200 -0.120 0.000 0.900 202 S HN 0.572 nan 8.310 nan 0.000 0.469 203 C N 1.208 120.413 119.300 -0.158 0.000 2.432 203 C HA 0.035 4.500 4.460 0.009 0.000 0.277 203 C C 2.573 177.303 174.990 -0.434 0.000 1.249 203 C CA 0.618 59.428 59.018 -0.348 0.000 1.725 203 C CB -1.380 26.178 27.740 -0.303 0.000 2.028 203 C HN 0.469 nan 8.230 nan 0.000 0.477 204 V N 1.548 121.378 119.914 -0.141 0.000 2.488 204 V HA -0.123 4.003 4.120 0.009 0.000 0.246 204 V C 2.257 178.422 176.094 0.120 0.000 1.046 204 V CA 1.679 63.964 62.300 -0.025 0.000 1.053 204 V CB -0.810 30.951 31.823 -0.103 0.000 0.679 204 V HN 0.498 nan 8.190 nan 0.000 0.458 205 N N -0.046 118.761 118.700 0.178 0.000 2.104 205 N HA -0.211 4.535 4.740 0.009 0.000 0.190 205 N C 1.938 177.479 175.510 0.051 0.000 1.024 205 N CA 1.912 55.032 53.050 0.116 0.000 0.853 205 N CB -0.555 37.965 38.487 0.054 0.000 1.008 205 N HN 0.554 nan 8.380 nan 0.000 0.424 206 C N 0.679 119.974 119.300 -0.008 0.000 2.446 206 C HA -0.047 4.418 4.460 0.009 0.000 0.277 206 C C 2.417 177.456 174.990 0.082 0.000 1.275 206 C CA 0.643 59.662 59.018 0.002 0.000 1.727 206 C CB -1.270 26.448 27.740 -0.038 0.000 2.010 206 C HN 0.506 nan 8.230 nan 0.000 0.486 207 H N -0.336 118.744 119.070 0.017 0.000 2.421 207 H HA -0.078 4.484 4.556 0.009 0.000 0.298 207 H C 2.182 177.520 175.328 0.017 0.000 1.087 207 H CA 1.506 57.554 56.048 -0.000 0.000 1.330 207 H CB -0.012 29.746 29.762 -0.007 0.000 1.388 207 H HN 0.436 nan 8.280 nan 0.000 0.526 208 L N 0.103 121.425 121.223 0.165 0.000 2.044 208 L HA -0.147 4.199 4.340 0.009 0.000 0.205 208 L C 2.714 179.631 176.870 0.078 0.000 1.075 208 L CA 1.277 56.188 54.840 0.119 0.000 0.747 208 L CB -0.279 41.860 42.059 0.132 0.000 0.903 208 L HN 0.300 nan 8.230 nan 0.000 0.435 209 S N -1.389 114.350 115.700 0.064 0.000 2.481 209 S HA -0.112 4.364 4.470 0.009 0.000 0.231 209 S C 1.816 176.435 174.600 0.032 0.000 0.996 209 S CA 1.112 59.336 58.200 0.040 0.000 0.942 209 S CB -0.502 62.714 63.200 0.027 0.000 0.768 209 S HN 0.552 nan 8.310 nan 0.000 0.520 210 T N -0.264 114.315 114.554 0.041 0.000 3.035 210 T HA 0.222 4.577 4.350 0.009 0.000 0.259 210 T C 1.855 176.563 174.700 0.013 0.000 1.078 210 T CA 0.021 62.134 62.100 0.021 0.000 1.132 210 T CB -0.276 68.602 68.868 0.017 0.000 0.900 210 T HN 0.396 nan 8.240 nan 0.000 0.480 211 R N 1.129 121.644 120.500 0.024 0.000 2.115 211 R HA 0.166 4.511 4.340 0.009 0.000 0.226 211 R C 2.599 178.911 176.300 0.020 0.000 1.100 211 R CA 0.781 56.891 56.100 0.016 0.000 0.980 211 R CB -0.131 30.184 30.300 0.025 0.000 0.875 211 R HN 0.324 nan 8.270 nan 0.000 0.445 212 K N 0.779 121.195 120.400 0.027 0.000 2.001 212 K HA -0.046 4.280 4.320 0.009 0.000 0.208 212 K C 1.957 178.566 176.600 0.015 0.000 1.048 212 K CA 1.376 57.677 56.287 0.024 0.000 0.932 212 K CB -0.122 32.394 32.500 0.027 0.000 0.715 212 K HN 0.120 nan 8.250 nan 0.000 0.437 213 A N 0.843 123.670 122.820 0.012 0.000 2.248 213 A HA -0.137 4.189 4.320 0.009 0.000 0.210 213 A C 0.646 178.231 177.584 0.001 0.000 1.174 213 A CA 0.764 52.804 52.037 0.005 0.000 0.750 213 A CB -0.356 18.645 19.000 0.003 0.000 0.780 213 A HN 0.491 nan 8.150 nan 0.000 0.478 214 Q N -1.418 118.383 119.800 0.003 0.000 2.439 214 Q HA -0.174 4.171 4.340 0.009 0.000 0.247 214 Q C -0.101 175.893 176.000 -0.010 0.000 0.899 214 Q CA 0.931 56.733 55.803 -0.002 0.000 1.201 214 Q CB -2.058 26.680 28.738 0.001 0.000 1.608 214 Q HN 0.722 nan 8.270 nan 0.000 0.563 215 T N 0.089 114.634 114.554 -0.014 0.000 2.726 215 T HA 0.112 4.467 4.350 0.009 0.000 0.294 215 T C 0.324 175.002 174.700 -0.036 0.000 1.013 215 T CA -0.558 61.527 62.100 -0.024 0.000 0.996 215 T CB 0.924 69.775 68.868 -0.027 0.000 1.016 215 T HN 0.160 nan 8.240 nan 0.000 0.529 216 E N 0.491 120.662 120.200 -0.048 0.000 2.384 216 E HA 0.268 4.623 4.350 0.009 0.000 0.266 216 E C -0.380 176.161 176.600 -0.098 0.000 1.012 216 E CA 0.060 56.419 56.400 -0.069 0.000 0.901 216 E CB 0.561 30.217 29.700 -0.073 0.000 0.967 216 E HN 0.488 nan 8.360 nan 0.000 0.435 217 S N 1.058 116.681 115.700 -0.127 0.000 2.794 217 S HA 0.789 5.264 4.470 0.009 0.000 0.299 217 S C -0.490 173.909 174.600 -0.334 0.000 1.179 217 S CA -0.177 57.916 58.200 -0.179 0.000 0.838 217 S CB 1.656 64.791 63.200 -0.109 0.000 1.206 217 S HN 0.600 nan 8.310 nan 0.000 0.523 218 G N 0.712 109.119 108.800 -0.656 0.000 2.932 218 G HA2 0.710 4.675 3.960 0.009 0.000 0.283 218 G HA3 0.710 4.675 3.960 0.009 0.000 0.283 218 G C -3.136 171.254 174.900 -0.850 0.000 1.336 218 G CA -1.597 42.891 45.100 -1.020 0.000 1.056 218 G HN 0.496 nan 8.290 nan 0.000 0.522 219 P HA 0.222 nan 4.420 nan 0.000 0.275 219 P C 0.786 178.145 177.300 0.098 0.000 1.228 219 P CA -0.271 62.774 63.100 -0.092 0.000 0.786 219 P CB 1.531 33.255 31.700 0.040 0.000 0.927 220 V N -0.536 119.429 119.914 0.086 0.000 3.604 220 V HA 0.296 4.422 4.120 0.009 0.000 0.277 220 V C 0.482 176.599 176.094 0.038 0.000 1.399 220 V CA 0.353 62.711 62.300 0.096 0.000 1.034 220 V CB -0.709 31.177 31.823 0.105 0.000 0.824 220 V HN 0.180 nan 8.190 nan 0.000 0.439 221 L N -0.512 120.746 121.223 0.058 0.000 2.358 221 L HA 0.426 4.771 4.340 0.009 0.000 0.268 221 L C 1.551 178.455 176.870 0.058 0.000 1.032 221 L CA -0.560 54.309 54.840 0.049 0.000 0.805 221 L CB 1.449 43.558 42.059 0.084 0.000 1.253 221 L HN 0.102 nan 8.230 nan 0.000 0.452 222 C N -0.257 119.063 119.300 0.034 0.000 2.413 222 C HA -0.156 4.309 4.460 0.009 0.000 0.276 222 C C 2.530 177.624 174.990 0.172 0.000 1.236 222 C CA 0.469 59.535 59.018 0.081 0.000 1.735 222 C CB -0.610 27.130 27.740 -0.001 0.000 2.031 222 C HN 0.752 nan 8.230 nan 0.000 0.474 223 V N 1.756 121.744 119.914 0.123 0.000 2.490 223 V HA -0.067 4.058 4.120 0.009 0.000 0.250 223 V C 2.356 178.531 176.094 0.135 0.000 1.061 223 V CA 2.411 64.781 62.300 0.117 0.000 1.064 223 V CB -0.968 30.905 31.823 0.083 0.000 0.670 223 V HN 0.608 nan 8.190 nan 0.000 0.461 224 G N -2.000 106.893 108.800 0.154 0.000 2.443 224 G HA2 -0.212 3.754 3.960 0.009 0.000 0.219 224 G HA3 -0.212 3.754 3.960 0.009 0.000 0.219 224 G C 1.488 176.594 174.900 0.343 0.000 1.131 224 G CA 1.219 46.447 45.100 0.212 0.000 0.775 224 G HN 0.594 nan 8.290 nan 0.000 0.547 225 C N -1.226 118.230 119.300 0.260 0.000 2.935 225 C HA 0.347 4.813 4.460 0.009 0.000 0.308 225 C C 1.663 176.645 174.990 -0.013 0.000 1.263 225 C CA -0.138 59.027 59.018 0.244 0.000 1.738 225 C CB -0.387 27.372 27.740 0.032 0.000 2.237 225 C HN 0.496 nan 8.230 nan 0.000 0.600 226 H N 0.169 119.319 119.070 0.133 0.000 2.893 226 H HA 0.119 4.680 4.556 0.009 0.000 0.270 226 H C 0.604 175.939 175.328 0.011 0.000 1.095 226 H CA 0.602 56.690 56.048 0.067 0.000 1.186 226 H CB 0.525 30.322 29.762 0.059 0.000 1.562 226 H HN 0.481 nan 8.280 nan 0.000 0.536 227 T N -2.083 112.513 114.554 0.069 0.000 2.824 227 T HA 0.550 4.905 4.350 0.009 0.000 0.280 227 T C 1.500 176.143 174.700 -0.095 0.000 0.995 227 T CA -0.191 61.912 62.100 0.005 0.000 1.009 227 T CB 2.364 71.239 68.868 0.012 0.000 0.955 227 T HN 0.096 nan 8.240 nan 0.000 0.452 228 A N 1.724 124.489 122.820 -0.091 0.000 1.958 228 A HA -0.183 4.142 4.320 0.009 0.000 0.221 228 A C 2.194 179.669 177.584 -0.182 0.000 1.178 228 A CA 2.198 54.149 52.037 -0.144 0.000 0.642 228 A CB -1.031 17.914 19.000 -0.091 0.000 0.816 228 A HN 1.045 nan 8.150 nan 0.000 0.453 229 E N -0.265 119.861 120.200 -0.124 0.000 2.110 229 E HA -0.065 4.290 4.350 0.009 0.000 0.193 229 E C 2.008 178.515 176.600 -0.154 0.000 0.988 229 E CA 1.178 57.510 56.400 -0.113 0.000 0.804 229 E CB -0.300 29.364 29.700 -0.060 0.000 0.745 229 E HN 0.537 nan 8.360 nan 0.000 0.458 230 A N 0.501 123.220 122.820 -0.168 0.000 1.897 230 A HA -0.183 4.143 4.320 0.009 0.000 0.215 230 A C 2.097 179.317 177.584 -0.608 0.000 1.181 230 A CA 1.401 53.327 52.037 -0.185 0.000 0.620 230 A CB -0.478 18.521 19.000 -0.002 0.000 0.821 230 A HN 0.324 nan 8.150 nan 0.000 0.443 231 Q N -0.433 118.812 119.800 -0.924 0.000 2.030 231 Q HA -0.177 4.169 4.340 0.009 0.000 0.204 231 Q C 2.405 177.860 176.000 -0.908 0.000 0.986 231 Q CA 1.701 56.519 55.803 -1.641 0.000 0.843 231 Q CB -0.485 27.618 28.738 -1.057 0.000 0.904 231 Q HN 0.669 nan 8.270 nan 0.000 0.420 232 A N 0.869 123.413 122.820 -0.460 0.000 1.997 232 A HA -0.231 4.094 4.320 0.009 0.000 0.221 232 A C 2.131 179.631 177.584 -0.139 0.000 1.172 232 A CA 1.848 53.750 52.037 -0.226 0.000 0.645 232 A CB -0.740 18.168 19.000 -0.152 0.000 0.813 232 A HN 0.438 nan 8.150 nan 0.000 0.454 233 A N -2.171 120.557 122.820 -0.153 0.000 2.218 233 A HA 0.254 4.579 4.320 0.009 0.000 0.209 233 A C 0.290 177.957 177.584 0.139 0.000 1.168 233 A CA -0.393 51.641 52.037 -0.005 0.000 0.804 233 A CB -0.260 18.750 19.000 0.016 0.000 0.834 233 A HN 0.544 nan 8.150 nan 0.000 0.482 234 W N 0.898 122.198 121.300 -0.000 0.000 2.210 234 W HA 0.425 5.090 4.660 0.009 0.000 0.330 234 W C 0.731 177.252 176.519 0.003 0.000 1.334 234 W CA -0.644 56.701 57.345 -0.000 0.000 1.227 234 W CB -0.044 29.422 29.460 0.010 0.000 1.178 234 W HN 0.321 nan 8.180 nan 0.000 0.560 235 K N 3.865 124.390 120.400 0.209 0.000 2.401 235 K HA 0.207 4.532 4.320 0.009 0.000 0.278 235 K C -0.036 176.631 176.600 0.113 0.000 1.018 235 K CA -0.149 56.207 56.287 0.114 0.000 0.981 235 K CB 0.253 32.787 32.500 0.055 0.000 0.933 235 K HN 0.511 nan 8.250 nan 0.000 0.477 236 K N 1.901 122.355 120.400 0.090 0.000 2.270 236 K HA 0.351 4.677 4.320 0.009 0.000 0.255 236 K C 0.210 176.843 176.600 0.055 0.000 0.936 236 K CA -0.669 55.667 56.287 0.082 0.000 0.809 236 K CB 1.794 34.343 32.500 0.080 0.000 1.131 236 K HN 0.873 nan 8.250 nan 0.000 0.427 237 T N -0.879 113.705 114.554 0.050 0.000 2.856 237 T HA 0.106 4.462 4.350 0.009 0.000 0.306 237 T C 1.412 176.133 174.700 0.035 0.000 1.062 237 T CA -0.198 61.924 62.100 0.036 0.000 1.083 237 T CB 1.256 70.144 68.868 0.033 0.000 0.984 237 T HN 0.617 nan 8.240 nan 0.000 0.542 238 A N 1.758 124.594 122.820 0.027 0.000 1.883 238 A HA -0.005 4.320 4.320 0.009 0.000 0.217 238 A C 1.112 178.711 177.584 0.025 0.000 1.186 238 A CA 0.934 52.985 52.037 0.024 0.000 0.624 238 A CB -0.561 18.450 19.000 0.017 0.000 0.822 238 A HN 0.923 nan 8.150 nan 0.000 0.444 239 E N -0.166 120.049 120.200 0.024 0.000 2.191 239 E HA 0.433 4.788 4.350 0.009 0.000 0.274 239 E C -1.133 175.488 176.600 0.034 0.000 0.948 239 E CA -0.578 55.837 56.400 0.025 0.000 0.802 239 E CB 1.206 30.917 29.700 0.019 0.000 1.137 239 E HN 0.120 nan 8.360 nan 0.000 0.397 240 T N 3.863 118.440 114.554 0.037 0.000 2.771 240 T HA 0.303 4.658 4.350 0.009 0.000 0.291 240 T C -2.047 172.682 174.700 0.048 0.000 0.954 240 T CA -1.346 60.784 62.100 0.050 0.000 1.045 240 T CB 0.576 69.474 68.868 0.050 0.000 0.917 240 T HN 0.286 nan 8.240 nan 0.000 0.484 241 P HA 0.381 nan 4.420 nan 0.000 0.274 241 P C -0.214 177.127 177.300 0.068 0.000 1.231 241 P CA -0.903 62.232 63.100 0.058 0.000 0.790 241 P CB 0.603 32.344 31.700 0.069 0.000 0.951 242 R N 1.466 122.003 120.500 0.062 0.000 2.522 242 R HA 0.173 4.518 4.340 0.009 0.000 0.284 242 R C -0.499 175.871 176.300 0.117 0.000 1.032 242 R CA -0.074 56.076 56.100 0.085 0.000 1.049 242 R CB -0.658 29.685 30.300 0.071 0.000 0.956 242 R HN 0.367 nan 8.270 nan 0.000 0.422 243 L N 6.987 128.282 121.223 0.119 0.000 2.314 243 L HA 0.381 4.726 4.340 0.009 0.000 0.275 243 L C -1.504 175.443 176.870 0.130 0.000 1.068 243 L CA -0.216 54.685 54.840 0.102 0.000 0.894 243 L CB 0.163 42.231 42.059 0.015 0.000 1.275 243 L HN 0.571 nan 8.230 nan 0.000 0.432 244 F N 4.584 124.536 119.950 0.003 0.000 2.391 244 F HA 0.503 5.036 4.527 0.009 0.000 0.359 244 F C 0.778 176.565 175.800 -0.022 0.000 1.122 244 F CA -0.197 57.798 58.000 -0.008 0.000 1.120 244 F CB 0.555 39.551 39.000 -0.007 0.000 1.142 244 F HN 0.416 nan 8.300 nan 0.000 0.483 245 R N 4.031 124.106 120.500 -0.707 0.000 2.629 245 R HA 0.254 4.600 4.340 0.009 0.000 0.386 245 R C 0.800 176.654 176.300 -0.744 0.000 1.071 245 R CA 0.398 56.154 56.100 -0.572 0.000 1.104 245 R CB 0.598 30.714 30.300 -0.306 0.000 1.370 245 R HN 1.015 nan 8.270 nan 0.000 0.574 246 G N 1.847 109.785 108.800 -1.437 0.000 2.141 246 G HA2 -0.261 3.704 3.960 0.009 0.000 0.231 246 G HA3 -0.261 3.704 3.960 0.009 0.000 0.231 246 G C 0.203 174.805 174.900 -0.497 0.000 0.984 246 G CA 0.119 44.732 45.100 -0.811 0.000 0.660 246 G HN 0.405 nan 8.290 nan 0.000 0.525 247 Q N 0.781 120.246 119.800 -0.559 0.000 2.394 247 Q HA 0.505 4.851 4.340 0.009 0.000 0.248 247 Q C -2.165 173.705 176.000 -0.217 0.000 0.992 247 Q CA -1.234 54.339 55.803 -0.383 0.000 0.888 247 Q CB 1.183 29.635 28.738 -0.476 0.000 1.257 247 Q HN 0.349 nan 8.270 nan 0.000 0.462 248 P HA 0.125 nan 4.420 nan 0.000 0.274 248 P C -0.453 176.800 177.300 -0.080 0.000 1.246 248 P CA -0.267 62.776 63.100 -0.095 0.000 0.795 248 P CB 0.760 32.431 31.700 -0.049 0.000 1.006 249 D N -0.333 120.071 120.400 0.007 0.000 2.183 249 D HA 0.170 4.815 4.640 0.009 0.000 0.205 249 D C 0.559 176.865 176.300 0.010 0.000 0.962 249 D CA 1.141 55.153 54.000 0.021 0.000 0.849 249 D CB 0.043 40.849 40.800 0.011 0.000 0.978 249 D HN 0.514 nan 8.370 nan 0.000 0.488 250 A N -1.051 121.778 122.820 0.016 0.000 2.549 250 A HA 0.635 4.961 4.320 0.009 0.000 0.297 250 A C -0.658 176.968 177.584 0.069 0.000 1.061 250 A CA -0.472 51.576 52.037 0.019 0.000 0.690 250 A CB 2.128 21.137 19.000 0.016 0.000 1.287 250 A HN -0.070 nan 8.150 nan 0.000 0.402 251 T N 0.381 115.009 114.554 0.123 0.000 2.883 251 T HA 0.581 4.936 4.350 0.009 0.000 0.301 251 T C -1.801 172.989 174.700 0.150 0.000 1.158 251 T CA -0.328 61.853 62.100 0.134 0.000 1.007 251 T CB 1.096 70.051 68.868 0.144 0.000 1.186 251 T HN 0.894 nan 8.240 nan 0.000 0.499 252 L N 3.769 125.063 121.223 0.117 0.000 2.264 252 L HA 0.621 4.966 4.340 0.009 0.000 0.289 252 L C -0.968 175.939 176.870 0.061 0.000 1.044 252 L CA -0.349 54.547 54.840 0.094 0.000 0.807 252 L CB 0.746 42.867 42.059 0.103 0.000 1.192 252 L HN 0.562 nan 8.230 nan 0.000 0.425 253 L N 6.445 127.689 121.223 0.036 0.000 2.262 253 L HA 0.592 4.938 4.340 0.009 0.000 0.288 253 L C -0.870 175.986 176.870 -0.023 0.000 1.035 253 L CA -0.727 54.113 54.840 -0.000 0.000 0.820 253 L CB 1.164 43.204 42.059 -0.032 0.000 1.204 253 L HN 0.318 nan 8.230 nan 0.000 0.424 254 V N 1.153 121.044 119.914 -0.038 0.000 2.789 254 V HA 0.599 4.724 4.120 0.009 0.000 0.311 254 V C 0.372 176.411 176.094 -0.092 0.000 1.073 254 V CA -1.068 61.187 62.300 -0.074 0.000 0.921 254 V CB 1.708 33.458 31.823 -0.122 0.000 1.009 254 V HN 0.796 nan 8.190 nan 0.000 0.426 255 A N 2.393 125.154 122.820 -0.099 0.000 2.548 255 A HA 0.706 5.031 4.320 0.009 0.000 0.247 255 A C 0.861 178.348 177.584 -0.162 0.000 1.067 255 A CA 1.047 53.021 52.037 -0.105 0.000 0.757 255 A CB -0.478 18.474 19.000 -0.081 0.000 0.996 255 A HN 2.191 nan 8.150 nan 0.000 0.504 256 G N -0.038 108.690 108.800 -0.120 0.000 2.345 256 G HA2 0.600 4.566 3.960 0.009 0.000 0.285 256 G HA3 0.600 4.566 3.960 0.009 0.000 0.285 256 G C -0.647 174.200 174.900 -0.088 0.000 1.297 256 G CA -0.068 44.956 45.100 -0.128 0.000 0.875 256 G HN 1.882 nan 8.290 nan 0.000 0.506 257 A N -0.397 122.375 122.820 -0.081 0.000 2.253 257 A HA 0.869 5.195 4.320 0.009 0.000 0.316 257 A C 0.429 177.980 177.584 -0.054 0.000 1.327 257 A CA 0.641 52.642 52.037 -0.060 0.000 0.917 257 A CB 0.311 19.280 19.000 -0.051 0.000 1.162 257 A HN 2.273 nan 8.150 nan 0.000 0.535 258 A N 3.112 125.903 122.820 -0.048 0.000 2.276 258 A HA 0.701 5.026 4.320 0.009 0.000 0.316 258 A C 0.629 178.190 177.584 -0.038 0.000 1.229 258 A CA 0.002 52.014 52.037 -0.042 0.000 0.851 258 A CB 0.179 19.156 19.000 -0.037 0.000 1.165 258 A HN 1.198 nan 8.150 nan 0.000 0.513 259 T N -0.502 114.031 114.554 -0.034 0.000 2.902 259 T HA 0.540 4.896 4.350 0.009 0.000 0.280 259 T C 1.325 176.006 174.700 -0.032 0.000 0.992 259 T CA -0.031 62.050 62.100 -0.033 0.000 1.015 259 T CB 1.438 70.289 68.868 -0.028 0.000 1.044 259 T HN 1.211 nan 8.240 nan 0.000 0.520 260 A N 1.473 124.272 122.820 -0.035 0.000 2.084 260 A HA -0.163 4.162 4.320 0.009 0.000 0.221 260 A C 2.038 179.604 177.584 -0.031 0.000 1.161 260 A CA 1.781 53.795 52.037 -0.037 0.000 0.653 260 A CB -1.317 17.658 19.000 -0.042 0.000 0.802 260 A HN 0.871 nan 8.150 nan 0.000 0.457 261 N N -0.651 118.035 118.700 -0.025 0.000 2.258 261 N HA 0.010 4.755 4.740 0.009 0.000 0.187 261 N C 1.387 176.888 175.510 -0.014 0.000 1.012 261 N CA 1.762 54.801 53.050 -0.018 0.000 0.870 261 N CB -0.290 38.189 38.487 -0.012 0.000 0.977 261 N HN 0.782 nan 8.380 nan 0.000 0.434 262 G N -1.875 106.916 108.800 -0.015 0.000 2.199 262 G HA2 -0.290 3.676 3.960 0.009 0.000 0.254 262 G HA3 -0.290 3.676 3.960 0.009 0.000 0.254 262 G C 0.266 175.163 174.900 -0.004 0.000 0.982 262 G CA 0.539 45.635 45.100 -0.008 0.000 0.632 262 G HN 0.366 nan 8.290 nan 0.000 0.529 263 T N 1.059 115.608 114.554 -0.007 0.000 2.916 263 T HA 0.468 4.823 4.350 0.009 0.000 0.303 263 T C 0.285 174.973 174.700 -0.020 0.000 1.025 263 T CA 0.508 62.604 62.100 -0.007 0.000 1.142 263 T CB 1.852 70.717 68.868 -0.005 0.000 0.947 263 T HN 0.655 nan 8.240 nan 0.000 0.544 264 V N 4.101 124.000 119.914 -0.026 0.000 2.588 264 V HA 0.329 4.455 4.120 0.009 0.000 0.304 264 V C -0.364 175.689 176.094 -0.069 0.000 1.042 264 V CA -1.122 61.146 62.300 -0.054 0.000 0.877 264 V CB 2.098 33.877 31.823 -0.073 0.000 0.996 264 V HN 0.775 nan 8.190 nan 0.000 0.425 265 D N 3.262 123.615 120.400 -0.079 0.000 2.280 265 D HA 0.469 5.115 4.640 0.009 0.000 0.243 265 D C -0.504 175.698 176.300 -0.164 0.000 1.129 265 D CA 0.100 54.044 54.000 -0.094 0.000 0.848 265 D CB 2.162 42.922 40.800 -0.067 0.000 1.107 265 D HN 0.273 nan 8.370 nan 0.000 0.471 266 V N 3.275 123.036 119.914 -0.254 0.000 2.495 266 V HA 0.256 4.382 4.120 0.009 0.000 0.298 266 V C 0.228 176.041 176.094 -0.468 0.000 1.031 266 V CA -0.971 61.046 62.300 -0.473 0.000 0.871 266 V CB 1.960 33.239 31.823 -0.907 0.000 0.988 266 V HN 0.401 nan 8.190 nan 0.000 0.432 267 N N 3.079 121.558 118.700 -0.368 0.000 2.469 267 N HA 0.210 4.955 4.740 0.009 0.000 0.253 267 N C 0.326 175.712 175.510 -0.207 0.000 0.970 267 N CA -0.527 52.392 53.050 -0.217 0.000 0.940 267 N CB 0.982 39.414 38.487 -0.092 0.000 1.128 267 N HN 0.699 nan 8.380 nan 0.000 0.503 268 W N 2.785 124.111 121.300 0.044 0.000 2.538 268 W HA -0.017 4.648 4.660 0.009 0.000 0.254 268 W C 1.985 178.530 176.519 0.043 0.000 1.249 268 W CA 0.484 57.862 57.345 0.055 0.000 1.253 268 W CB 0.066 29.573 29.460 0.079 0.000 1.130 268 W HN 0.719 nan 8.180 nan 0.000 0.618 269 A N 0.308 123.240 122.820 0.185 0.000 1.897 269 A HA 0.058 4.383 4.320 0.009 0.000 0.215 269 A C 2.055 179.688 177.584 0.083 0.000 1.181 269 A CA 1.612 53.723 52.037 0.124 0.000 0.620 269 A CB -0.968 18.081 19.000 0.082 0.000 0.821 269 A HN 0.140 nan 8.150 nan 0.000 0.443 270 A N -0.861 121.984 122.820 0.042 0.000 2.235 270 A HA 0.471 4.796 4.320 0.009 0.000 0.208 270 A C 1.853 179.442 177.584 0.009 0.000 1.172 270 A CA 1.142 53.185 52.037 0.010 0.000 0.786 270 A CB -0.473 18.511 19.000 -0.028 0.000 0.804 270 A HN 0.929 nan 8.150 nan 0.000 0.479 271 A N -0.518 122.330 122.820 0.047 0.000 2.348 271 A HA 0.515 4.841 4.320 0.009 0.000 0.224 271 A C 1.265 178.900 177.584 0.084 0.000 1.227 271 A CA 0.478 52.540 52.037 0.043 0.000 0.885 271 A CB -0.484 18.516 19.000 0.000 0.000 0.933 271 A HN 0.585 nan 8.150 nan 0.000 0.506 272 G N 0.007 108.852 108.800 0.076 0.000 2.572 272 G HA2 0.417 4.383 3.960 0.009 0.000 0.261 272 G HA3 0.417 4.383 3.960 0.009 0.000 0.261 272 G C -1.044 173.835 174.900 -0.035 0.000 1.197 272 G CA -0.775 44.358 45.100 0.054 0.000 0.870 272 G HN 0.139 nan 8.290 nan 0.000 0.548 273 P HA 0.202 nan 4.420 nan 0.000 0.226 273 P C 0.697 178.030 177.300 0.055 0.000 1.153 273 P CA 1.316 64.362 63.100 -0.090 0.000 0.777 273 P CB 0.207 31.745 31.700 -0.270 0.000 0.794 274 G N -1.351 107.521 108.800 0.120 0.000 2.347 274 G HA2 0.146 4.112 3.960 0.009 0.000 0.321 274 G HA3 0.146 4.112 3.960 0.009 0.000 0.321 274 G C -3.452 171.562 174.900 0.191 0.000 1.412 274 G CA -1.013 44.196 45.100 0.182 0.000 0.990 274 G HN -0.290 nan 8.290 nan 0.000 0.637 275 P HA 0.440 nan 4.420 nan 0.000 0.272 275 P C -0.195 177.061 177.300 -0.073 0.000 1.223 275 P CA -0.233 62.789 63.100 -0.129 0.000 0.784 275 P CB 1.357 32.779 31.700 -0.463 0.000 0.923 276 V N 1.916 121.798 119.914 -0.054 0.000 2.370 276 V HA 0.422 4.547 4.120 0.009 0.000 0.283 276 V C 0.633 176.753 176.094 0.042 0.000 1.023 276 V CA -0.734 61.536 62.300 -0.049 0.000 0.857 276 V CB 0.891 32.645 31.823 -0.116 0.000 0.985 276 V HN 0.665 nan 8.190 nan 0.000 0.443 277 A N 6.010 128.879 122.820 0.083 0.000 2.415 277 A HA 0.595 4.920 4.320 0.009 0.000 0.309 277 A C -0.730 176.954 177.584 0.166 0.000 1.356 277 A CA -0.151 51.961 52.037 0.125 0.000 0.998 277 A CB -0.307 18.767 19.000 0.124 0.000 1.145 277 A HN 0.689 nan 8.150 nan 0.000 0.545 278 F N 2.765 122.734 119.950 0.031 0.000 2.420 278 F HA 0.413 4.945 4.527 0.009 0.000 0.342 278 F C -0.163 175.683 175.800 0.077 0.000 1.113 278 F CA -1.407 56.608 58.000 0.026 0.000 1.059 278 F CB 1.415 40.407 39.000 -0.013 0.000 1.128 278 F HN 0.489 nan 8.300 nan 0.000 0.475 279 D N 4.979 125.083 120.400 -0.494 0.000 2.494 279 D HA 0.036 4.682 4.640 0.009 0.000 0.217 279 D C 1.151 177.028 176.300 -0.705 0.000 1.153 279 D CA 0.336 54.100 54.000 -0.394 0.000 0.954 279 D CB -0.122 40.612 40.800 -0.110 0.000 1.034 279 D HN 0.698 nan 8.370 nan 0.000 0.518 280 H N 3.712 122.313 119.070 -0.782 0.000 2.326 280 H HA -0.080 4.481 4.556 0.009 0.000 0.301 280 H C 1.648 176.842 175.328 -0.225 0.000 1.081 280 H CA 1.404 57.114 56.048 -0.563 0.000 1.334 280 H CB 0.535 30.203 29.762 -0.157 0.000 1.385 280 H HN 0.345 nan 8.280 nan 0.000 0.504 281 K N 0.281 120.701 120.400 0.032 0.000 2.063 281 K HA -0.118 4.207 4.320 0.009 0.000 0.208 281 K C 2.327 178.816 176.600 -0.186 0.000 1.048 281 K CA 1.292 57.583 56.287 0.007 0.000 0.928 281 K CB -0.156 32.332 32.500 -0.020 0.000 0.713 281 K HN 0.251 nan 8.250 nan 0.000 0.442 282 A N 0.435 123.059 122.820 -0.327 0.000 1.902 282 A HA -0.188 4.138 4.320 0.009 0.000 0.217 282 A C 1.715 178.619 177.584 -1.133 0.000 1.181 282 A CA 1.807 53.393 52.037 -0.753 0.000 0.623 282 A CB -0.899 17.654 19.000 -0.745 0.000 0.818 282 A HN 0.475 nan 8.150 nan 0.000 0.443 283 H N -0.105 118.590 119.070 -0.624 0.000 2.421 283 H HA -0.073 4.489 4.556 0.009 0.000 0.298 283 H C 2.020 177.248 175.328 -0.166 0.000 1.087 283 H CA 1.708 57.604 56.048 -0.253 0.000 1.330 283 H CB -0.061 29.681 29.762 -0.034 0.000 1.388 283 H HN 0.676 nan 8.280 nan 0.000 0.526 284 E N -0.695 119.441 120.200 -0.107 0.000 2.110 284 E HA -0.118 4.237 4.350 0.009 0.000 0.193 284 E C 2.495 179.069 176.600 -0.042 0.000 0.988 284 E CA 0.932 57.316 56.400 -0.026 0.000 0.804 284 E CB -0.149 29.569 29.700 0.030 0.000 0.745 284 E HN 0.578 nan 8.360 nan 0.000 0.458 285 G N 0.183 108.893 108.800 -0.151 0.000 2.430 285 G HA2 -0.167 3.799 3.960 0.009 0.000 0.216 285 G HA3 -0.167 3.799 3.960 0.009 0.000 0.216 285 G C 1.291 176.181 174.900 -0.016 0.000 1.146 285 G CA 0.045 45.082 45.100 -0.105 0.000 0.793 285 G HN 0.166 nan 8.290 nan 0.000 0.537 286 F N 0.292 120.197 119.950 -0.075 0.000 2.146 286 F HA -0.078 4.454 4.527 0.009 0.000 0.298 286 F C 2.708 178.494 175.800 -0.025 0.000 1.096 286 F CA 0.348 58.291 58.000 -0.096 0.000 1.275 286 F CB 0.027 38.882 39.000 -0.241 0.000 1.008 286 F HN -0.017 nan 8.300 nan 0.000 0.480 287 V N -0.807 119.230 119.914 0.204 0.000 2.500 287 V HA 0.125 4.251 4.120 0.009 0.000 0.243 287 V C 1.958 178.116 176.094 0.107 0.000 1.039 287 V CA 1.352 63.746 62.300 0.156 0.000 1.053 287 V CB -0.670 31.256 31.823 0.172 0.000 0.695 287 V HN 0.570 nan 8.190 nan 0.000 0.463 288 G N 1.594 110.445 108.800 0.086 0.000 2.176 288 G HA2 -0.262 3.703 3.960 0.009 0.000 0.253 288 G HA3 -0.262 3.703 3.960 0.009 0.000 0.253 288 G C -0.032 174.909 174.900 0.069 0.000 0.979 288 G CA 0.570 45.714 45.100 0.074 0.000 0.641 288 G HN 0.922 nan 8.290 nan 0.000 0.530 289 N N -2.636 116.106 118.700 0.071 0.000 3.277 289 N HA 0.604 5.349 4.740 0.009 0.000 0.278 289 N C 0.606 176.166 175.510 0.083 0.000 1.544 289 N CA -0.151 52.935 53.050 0.060 0.000 0.869 289 N CB 0.396 38.915 38.487 0.053 0.000 1.584 289 N HN 0.191 nan 8.380 nan 0.000 0.564 290 C N -1.066 118.289 119.300 0.092 0.000 2.563 290 C HA 0.180 4.645 4.460 0.009 0.000 0.346 290 C C 2.318 177.437 174.990 0.215 0.000 1.334 290 C CA 0.336 59.465 59.018 0.185 0.000 1.938 290 C CB -0.930 26.911 27.740 0.169 0.000 2.445 290 C HN 0.668 nan 8.230 nan 0.000 0.541 291 V N 0.535 120.528 119.914 0.132 0.000 2.626 291 V HA -0.153 3.973 4.120 0.009 0.000 0.252 291 V C 2.121 178.303 176.094 0.147 0.000 1.067 291 V CA 2.421 64.807 62.300 0.144 0.000 1.081 291 V CB -1.970 29.875 31.823 0.036 0.000 0.686 291 V HN 0.522 nan 8.190 nan 0.000 0.468 292 T N -0.339 114.277 114.554 0.103 0.000 2.803 292 T HA -0.189 4.166 4.350 0.009 0.000 0.269 292 T C 1.865 176.607 174.700 0.071 0.000 1.052 292 T CA 2.169 64.318 62.100 0.082 0.000 1.136 292 T CB -0.461 68.446 68.868 0.066 0.000 0.864 292 T HN 0.686 nan 8.240 nan 0.000 0.467 293 C N -0.251 119.073 119.300 0.040 0.000 2.520 293 C HA 0.127 4.592 4.460 0.009 0.000 0.291 293 C C 1.321 176.275 174.990 -0.060 0.000 1.364 293 C CA -0.484 58.489 59.018 -0.075 0.000 1.781 293 C CB -0.606 26.989 27.740 -0.243 0.000 2.171 293 C HN 0.524 nan 8.230 nan 0.000 0.516 294 H N 2.186 121.338 119.070 0.137 0.000 2.855 294 H HA 0.159 4.720 4.556 0.009 0.000 0.238 294 H C 0.078 175.494 175.328 0.146 0.000 1.847 294 H CA 0.188 56.292 56.048 0.093 0.000 1.368 294 H CB -0.782 29.058 29.762 0.129 0.000 1.758 294 H HN 0.730 nan 8.280 nan 0.000 0.546 295 H N 0.102 119.286 119.070 0.191 0.000 2.615 295 H HA 0.332 4.894 4.556 0.009 0.000 0.363 295 H C -2.595 172.893 175.328 0.267 0.000 1.148 295 H CA -2.420 53.747 56.048 0.198 0.000 1.401 295 H CB 0.119 29.936 29.762 0.091 0.000 1.461 295 H HN 0.163 nan 8.280 nan 0.000 0.588 296 P HA 0.108 nan 4.420 nan 0.000 0.271 296 P C -0.238 177.208 177.300 0.243 0.000 1.218 296 P CA -0.352 62.941 63.100 0.321 0.000 0.780 296 P CB 0.966 32.843 31.700 0.297 0.000 0.901 297 T N -1.145 113.481 114.554 0.120 0.000 2.937 297 T HA 0.212 4.568 4.350 0.009 0.000 0.283 297 T C 1.181 175.930 174.700 0.082 0.000 1.012 297 T CA -0.624 61.542 62.100 0.110 0.000 0.997 297 T CB 0.696 69.571 68.868 0.012 0.000 1.136 297 T HN 0.155 nan 8.240 nan 0.000 0.551 298 Q N 0.565 120.403 119.800 0.064 0.000 2.152 298 Q HA -0.097 4.248 4.340 0.009 0.000 0.206 298 Q C 2.370 178.385 176.000 0.025 0.000 0.985 298 Q CA 2.413 58.241 55.803 0.043 0.000 0.863 298 Q CB -0.896 27.862 28.738 0.033 0.000 0.904 298 Q HN 0.998 nan 8.270 nan 0.000 0.422 299 T N -4.206 110.352 114.554 0.007 0.000 3.014 299 T HA 0.394 4.750 4.350 0.009 0.000 0.250 299 T C 0.916 175.608 174.700 -0.013 0.000 1.060 299 T CA 0.776 62.871 62.100 -0.008 0.000 1.040 299 T CB 0.743 69.596 68.868 -0.025 0.000 0.971 299 T HN 0.283 nan 8.240 nan 0.000 0.497 300 G N -0.285 108.506 108.800 -0.014 0.000 2.927 300 G HA2 0.541 4.506 3.960 0.009 0.000 0.111 300 G HA3 0.541 4.506 3.960 0.009 0.000 0.111 300 G C 0.033 174.890 174.900 -0.072 0.000 1.198 300 G CA 0.014 45.098 45.100 -0.027 0.000 1.382 300 G HN 1.306 nan 8.290 nan 0.000 0.663 301 G N -1.504 107.106 108.800 -0.318 0.000 2.317 301 G HA2 0.626 4.591 3.960 0.009 0.000 0.445 301 G HA3 0.626 4.591 3.960 0.009 0.000 0.445 301 G C -0.617 173.530 174.900 -1.254 0.000 1.486 301 G CA 0.638 45.307 45.100 -0.719 0.000 0.991 301 G HN 2.203 nan 8.290 nan 0.000 0.660 302 S N -0.935 114.096 115.700 -1.116 0.000 2.588 302 S HA 0.615 5.090 4.470 0.009 0.000 0.269 302 S C 0.269 174.637 174.600 -0.387 0.000 1.157 302 S CA -0.826 56.948 58.200 -0.711 0.000 0.824 302 S CB 1.440 64.420 63.200 -0.366 0.000 1.126 302 S HN 1.098 nan 8.310 nan 0.000 0.464 303 L N 1.021 122.091 121.223 -0.255 0.000 2.693 303 L HA 0.318 4.663 4.340 0.009 0.000 0.242 303 L C 1.262 177.944 176.870 -0.312 0.000 1.157 303 L CA 0.095 54.687 54.840 -0.413 0.000 0.929 303 L CB -1.119 40.712 42.059 -0.381 0.000 1.103 303 L HN 0.831 nan 8.230 nan 0.000 0.430 304 A N 0.533 123.260 122.820 -0.156 0.000 2.425 304 A HA 0.538 4.863 4.320 0.009 0.000 0.242 304 A C 0.772 178.375 177.584 0.031 0.000 1.077 304 A CA -0.069 51.918 52.037 -0.084 0.000 0.781 304 A CB 0.292 19.230 19.000 -0.104 0.000 1.020 304 A HN 0.307 nan 8.150 nan 0.000 0.494 305 A N 0.701 123.535 122.820 0.023 0.000 2.520 305 A HA 0.277 4.602 4.320 0.009 0.000 0.245 305 A C 1.317 178.931 177.584 0.050 0.000 1.072 305 A CA 0.176 52.250 52.037 0.062 0.000 0.761 305 A CB -0.629 18.386 19.000 0.024 0.000 1.004 305 A HN 1.096 nan 8.150 nan 0.000 0.499 306 C N 2.149 121.491 119.300 0.070 0.000 2.422 306 C HA -0.022 4.444 4.460 0.009 0.000 0.279 306 C C 2.505 177.555 174.990 0.100 0.000 1.305 306 C CA 1.040 60.124 59.018 0.110 0.000 1.757 306 C CB -1.376 26.404 27.740 0.066 0.000 1.962 306 C HN 0.972 nan 8.230 nan 0.000 0.499 307 G N -0.076 108.746 108.800 0.037 0.000 2.744 307 G HA2 0.152 4.117 3.960 0.009 0.000 0.211 307 G HA3 0.152 4.117 3.960 0.009 0.000 0.211 307 G C 1.499 176.385 174.900 -0.023 0.000 1.146 307 G CA 0.594 45.701 45.100 0.012 0.000 0.787 307 G HN 0.368 nan 8.290 nan 0.000 0.534 308 V N 1.458 121.354 119.914 -0.030 0.000 2.214 308 V HA -0.111 4.015 4.120 0.009 0.000 0.245 308 V C 3.030 179.085 176.094 -0.066 0.000 1.047 308 V CA 2.562 64.835 62.300 -0.046 0.000 0.998 308 V CB -0.587 31.208 31.823 -0.046 0.000 0.633 308 V HN 0.421 nan 8.190 nan 0.000 0.446 309 A N -2.668 120.099 122.820 -0.089 0.000 2.167 309 A HA 0.028 4.353 4.320 0.009 0.000 0.208 309 A C 2.011 179.495 177.584 -0.167 0.000 1.198 309 A CA 0.901 52.870 52.037 -0.114 0.000 0.863 309 A CB -0.403 18.530 19.000 -0.111 0.000 0.904 309 A HN 0.567 nan 8.150 nan 0.000 0.484 310 C N -0.399 118.777 119.300 -0.206 0.000 2.602 310 C HA 0.181 4.647 4.460 0.009 0.000 0.282 310 C C 0.687 175.356 174.990 -0.535 0.000 1.313 310 C CA 0.049 58.834 59.018 -0.388 0.000 1.699 310 C CB -0.830 26.654 27.740 -0.425 0.000 2.124 310 C HN 0.551 nan 8.230 nan 0.000 0.509 311 H N 1.193 120.219 119.070 -0.073 0.000 2.661 311 H HA 0.348 4.910 4.556 0.009 0.000 0.290 311 H C 0.056 175.347 175.328 -0.062 0.000 1.082 311 H CA 0.269 56.278 56.048 -0.065 0.000 1.234 311 H CB 0.667 30.393 29.762 -0.060 0.000 1.387 311 H HN 0.471 nan 8.280 nan 0.000 0.476 312 T N -0.646 113.917 114.554 0.016 0.000 2.950 312 T HA 0.139 4.494 4.350 0.009 0.000 0.288 312 T C 1.360 176.066 174.700 0.011 0.000 1.035 312 T CA -0.686 61.412 62.100 -0.003 0.000 1.028 312 T CB 1.647 70.500 68.868 -0.026 0.000 1.109 312 T HN 0.310 nan 8.240 nan 0.000 0.514 313 T N 1.303 115.856 114.554 -0.002 0.000 2.778 313 T HA -0.088 4.268 4.350 0.009 0.000 0.269 313 T C 1.742 176.453 174.700 0.019 0.000 1.050 313 T CA 2.185 64.286 62.100 0.002 0.000 1.137 313 T CB -0.535 68.328 68.868 -0.009 0.000 0.860 313 T HN 0.804 nan 8.240 nan 0.000 0.468 314 T N -0.519 114.050 114.554 0.026 0.000 3.004 314 T HA 0.450 4.805 4.350 0.009 0.000 0.243 314 T C 0.873 175.625 174.700 0.087 0.000 1.020 314 T CA 0.710 62.837 62.100 0.046 0.000 1.145 314 T CB 0.135 69.027 68.868 0.040 0.000 0.876 314 T HN 0.586 nan 8.240 nan 0.000 0.449 315 G N 1.288 110.138 108.800 0.082 0.000 3.438 315 G HA2 0.137 4.103 3.960 0.009 0.000 0.684 315 G HA3 0.137 4.103 3.960 0.009 0.000 0.684 315 G C -0.435 174.522 174.900 0.096 0.000 1.192 315 G CA -0.291 44.886 45.100 0.127 0.000 1.013 315 G HN 0.414 nan 8.290 nan 0.000 0.530 316 S N 0.545 116.148 115.700 -0.162 0.000 2.651 316 S HA 0.675 5.150 4.470 0.009 0.000 0.291 316 S C 1.542 175.589 174.600 -0.922 0.000 1.141 316 S CA 0.059 58.041 58.200 -0.364 0.000 1.027 316 S CB 1.582 64.628 63.200 -0.256 0.000 1.043 316 S HN 0.984 nan 8.310 nan 0.000 0.530 317 K N 2.046 121.890 120.400 -0.926 0.000 2.097 317 K HA -0.063 4.263 4.320 0.009 0.000 0.206 317 K C 1.199 177.485 176.600 -0.524 0.000 1.049 317 K CA 2.017 57.744 56.287 -0.934 0.000 0.933 317 K CB -0.489 31.790 32.500 -0.369 0.000 0.717 317 K HN 0.610 nan 8.250 nan 0.000 0.442 318 D N -0.631 119.543 120.400 -0.376 0.000 2.221 318 D HA -0.087 4.558 4.640 0.009 0.000 0.204 318 D C 1.031 177.146 176.300 -0.308 0.000 0.982 318 D CA 1.501 55.334 54.000 -0.278 0.000 0.857 318 D CB -0.120 40.538 40.800 -0.237 0.000 0.934 318 D HN 0.437 nan 8.370 nan 0.000 0.475 319 G N -0.414 108.141 108.800 -0.409 0.000 3.707 319 G HA2 0.021 3.986 3.960 0.009 0.000 0.286 319 G HA3 0.021 3.986 3.960 0.009 0.000 0.286 319 G C 0.379 175.153 174.900 -0.210 0.000 1.112 319 G CA -0.310 44.535 45.100 -0.424 0.000 0.861 319 G HN 0.266 nan 8.290 nan 0.000 0.534 320 N N -0.351 118.201 118.700 -0.247 0.000 2.714 320 N HA -0.254 4.492 4.740 0.009 0.000 0.250 320 N C 0.183 175.742 175.510 0.083 0.000 1.117 320 N CA 0.452 53.458 53.050 -0.073 0.000 0.719 320 N CB -0.739 37.783 38.487 0.058 0.000 1.081 320 N HN 0.374 nan 8.380 nan 0.000 0.557 321 F N -3.718 116.230 119.950 -0.004 0.000 2.988 321 F HA -0.241 4.292 4.527 0.009 0.000 0.287 321 F C 0.177 176.003 175.800 0.043 0.000 0.781 321 F CA 0.509 58.514 58.000 0.009 0.000 1.221 321 F CB -1.919 37.082 39.000 0.003 0.000 1.392 321 F HN -0.083 nan 8.300 nan 0.000 0.425 322 V N 1.170 121.194 119.914 0.184 0.000 2.455 322 V HA 0.281 4.407 4.120 0.009 0.000 0.273 322 V C 1.003 177.236 176.094 0.231 0.000 1.045 322 V CA 0.025 62.448 62.300 0.205 0.000 0.976 322 V CB 1.071 33.029 31.823 0.224 0.000 0.993 322 V HN 0.336 nan 8.190 nan 0.000 0.475 323 T N 1.293 115.919 114.554 0.120 0.000 2.868 323 T HA 0.116 4.472 4.350 0.009 0.000 0.292 323 T C 1.415 176.129 174.700 0.023 0.000 1.028 323 T CA 0.127 62.273 62.100 0.077 0.000 1.059 323 T CB 1.062 69.956 68.868 0.044 0.000 0.991 323 T HN 0.620 nan 8.240 nan 0.000 0.531 324 T N 2.266 116.829 114.554 0.014 0.000 2.564 324 T HA -0.277 4.079 4.350 0.009 0.000 0.264 324 T C 2.342 176.941 174.700 -0.169 0.000 1.100 324 T CA 2.417 64.485 62.100 -0.053 0.000 1.171 324 T CB -1.174 67.669 68.868 -0.041 0.000 0.863 324 T HN 0.878 nan 8.240 nan 0.000 0.430 325 A N 1.119 123.838 122.820 -0.168 0.000 1.881 325 A HA -0.315 4.011 4.320 0.009 0.000 0.219 325 A C 2.255 179.621 177.584 -0.362 0.000 1.215 325 A CA 2.539 54.378 52.037 -0.329 0.000 0.648 325 A CB -1.013 17.943 19.000 -0.073 0.000 0.832 325 A HN 0.698 nan 8.150 nan 0.000 0.455 326 Q N -0.272 119.444 119.800 -0.139 0.000 2.096 326 Q HA -0.162 4.184 4.340 0.009 0.000 0.204 326 Q C 2.441 178.336 176.000 -0.175 0.000 0.982 326 Q CA 2.069 57.819 55.803 -0.090 0.000 0.850 326 Q CB -0.337 28.385 28.738 -0.027 0.000 0.901 326 Q HN 0.887 nan 8.270 nan 0.000 0.422 327 S N -0.086 115.459 115.700 -0.258 0.000 2.447 327 S HA -0.037 4.439 4.470 0.009 0.000 0.233 327 S C 1.892 176.296 174.600 -0.326 0.000 1.006 327 S CA 0.811 58.781 58.200 -0.383 0.000 0.957 327 S CB -0.024 62.799 63.200 -0.629 0.000 0.773 327 S HN 0.373 nan 8.310 nan 0.000 0.507 328 A N 0.769 123.387 122.820 -0.337 0.000 1.997 328 A HA 0.263 4.588 4.320 0.009 0.000 0.212 328 A C 1.759 179.236 177.584 -0.178 0.000 1.178 328 A CA 0.651 52.491 52.037 -0.328 0.000 0.698 328 A CB -0.457 18.282 19.000 -0.435 0.000 0.842 328 A HN 0.756 nan 8.150 nan 0.000 0.458 329 H N -1.453 117.556 119.070 -0.100 0.000 2.740 329 H HA 0.185 4.746 4.556 0.009 0.000 0.265 329 H C 0.838 176.120 175.328 -0.077 0.000 0.978 329 H CA -0.165 55.841 56.048 -0.071 0.000 1.198 329 H CB 0.357 30.104 29.762 -0.026 0.000 1.467 329 H HN 0.531 nan 8.280 nan 0.000 0.511 330 Q N 2.019 121.822 119.800 0.005 0.000 2.311 330 Q HA 0.126 4.471 4.340 0.009 0.000 0.272 330 Q C -0.757 175.226 176.000 -0.029 0.000 1.012 330 Q CA -0.219 55.576 55.803 -0.014 0.000 0.891 330 Q CB 0.644 29.350 28.738 -0.052 0.000 1.201 330 Q HN 0.349 nan 8.270 nan 0.000 0.391 331 L N 3.042 124.255 121.223 -0.016 0.000 2.421 331 L HA 0.407 4.752 4.340 0.009 0.000 0.263 331 L C 1.240 178.095 176.870 -0.025 0.000 1.122 331 L CA 0.470 55.297 54.840 -0.021 0.000 0.804 331 L CB 0.977 43.030 42.059 -0.010 0.000 1.150 331 L HN 1.067 nan 8.230 nan 0.000 0.457 332 G N 1.385 110.170 108.800 -0.025 0.000 2.157 332 G HA2 -0.174 3.791 3.960 0.009 0.000 0.248 332 G HA3 -0.174 3.791 3.960 0.009 0.000 0.248 332 G C -0.233 174.648 174.900 -0.032 0.000 0.979 332 G CA 0.021 45.107 45.100 -0.022 0.000 0.650 332 G HN 0.724 nan 8.290 nan 0.000 0.529 333 V N -3.466 116.420 119.914 -0.046 0.000 3.078 333 V HA 0.903 5.028 4.120 0.009 0.000 0.311 333 V C 0.830 176.885 176.094 -0.064 0.000 1.138 333 V CA 0.341 62.605 62.300 -0.060 0.000 1.007 333 V CB 1.475 33.246 31.823 -0.087 0.000 1.045 333 V HN 0.838 nan 8.190 nan 0.000 0.432 334 T N -3.511 111.007 114.554 -0.060 0.000 3.069 334 T HA 0.065 4.420 4.350 0.009 0.000 0.252 334 T C 1.124 175.781 174.700 -0.072 0.000 1.053 334 T CA 0.801 62.871 62.100 -0.050 0.000 0.964 334 T CB -0.176 68.681 68.868 -0.018 0.000 1.005 334 T HN 0.794 nan 8.240 nan 0.000 0.532 335 T N 2.450 116.938 114.554 -0.110 0.000 3.043 335 T HA 0.104 4.460 4.350 0.009 0.000 0.263 335 T C 1.190 175.784 174.700 -0.177 0.000 1.094 335 T CA 0.631 62.647 62.100 -0.141 0.000 1.127 335 T CB -0.097 68.629 68.868 -0.236 0.000 0.905 335 T HN 0.687 nan 8.240 nan 0.000 0.490 336 S N -0.124 115.468 115.700 -0.181 0.000 2.690 336 S HA 0.276 4.751 4.470 0.009 0.000 0.291 336 S C 1.496 175.948 174.600 -0.247 0.000 1.138 336 S CA -0.877 57.194 58.200 -0.215 0.000 1.013 336 S CB 1.006 64.100 63.200 -0.177 0.000 1.053 336 S HN 0.317 nan 8.310 nan 0.000 0.539 337 C N 0.685 119.801 119.300 -0.307 0.000 2.413 337 C HA -0.050 4.415 4.460 0.009 0.000 0.277 337 C C 2.664 177.310 174.990 -0.574 0.000 1.228 337 C CA 0.485 59.226 59.018 -0.462 0.000 1.731 337 C CB -1.694 25.830 27.740 -0.359 0.000 2.042 337 C HN 0.771 nan 8.230 nan 0.000 0.468 338 V N 1.499 121.242 119.914 -0.286 0.000 2.407 338 V HA -0.003 4.122 4.120 0.009 0.000 0.245 338 V C 2.736 178.738 176.094 -0.154 0.000 1.041 338 V CA 2.212 64.389 62.300 -0.205 0.000 1.040 338 V CB -1.553 30.234 31.823 -0.060 0.000 0.671 338 V HN 0.659 nan 8.190 nan 0.000 0.455 339 G N -1.081 107.643 108.800 -0.127 0.000 2.476 339 G HA2 -0.370 3.596 3.960 0.009 0.000 0.218 339 G HA3 -0.370 3.596 3.960 0.009 0.000 0.218 339 G C 1.922 176.774 174.900 -0.080 0.000 1.164 339 G CA 1.363 46.410 45.100 -0.089 0.000 0.768 339 G HN 0.541 nan 8.290 nan 0.000 0.560 340 C N 0.142 119.376 119.300 -0.110 0.000 2.446 340 C HA 0.034 4.500 4.460 0.009 0.000 0.277 340 C C 2.595 177.604 174.990 0.031 0.000 1.275 340 C CA 1.406 60.399 59.018 -0.040 0.000 1.727 340 C CB -1.327 26.399 27.740 -0.024 0.000 2.010 340 C HN 0.638 nan 8.230 nan 0.000 0.486 341 H N 0.223 119.234 119.070 -0.098 0.000 2.353 341 H HA -0.122 4.440 4.556 0.009 0.000 0.300 341 H C 2.518 177.743 175.328 -0.172 0.000 1.090 341 H CA 1.865 57.819 56.048 -0.157 0.000 1.327 341 H CB -0.125 29.466 29.762 -0.284 0.000 1.383 341 H HN 0.692 nan 8.280 nan 0.000 0.508 342 T N -2.152 112.395 114.554 -0.011 0.000 2.942 342 T HA -0.088 4.267 4.350 0.009 0.000 0.265 342 T C 2.042 176.719 174.700 -0.039 0.000 1.062 342 T CA 1.244 63.316 62.100 -0.047 0.000 1.139 342 T CB -0.541 68.315 68.868 -0.021 0.000 0.883 342 T HN 0.175 nan 8.240 nan 0.000 0.468 343 T N 2.320 116.859 114.554 -0.025 0.000 2.665 343 T HA -0.157 4.199 4.350 0.009 0.000 0.268 343 T C 2.166 176.850 174.700 -0.027 0.000 1.035 343 T CA 1.573 63.661 62.100 -0.019 0.000 1.151 343 T CB -0.344 68.515 68.868 -0.014 0.000 0.862 343 T HN 0.443 nan 8.240 nan 0.000 0.438 344 Q N 0.469 120.248 119.800 -0.035 0.000 2.079 344 Q HA 0.054 4.400 4.340 0.009 0.000 0.200 344 Q C 2.776 178.723 176.000 -0.089 0.000 0.974 344 Q CA 1.380 57.152 55.803 -0.051 0.000 0.840 344 Q CB -0.449 28.256 28.738 -0.053 0.000 0.898 344 Q HN 0.577 nan 8.270 nan 0.000 0.430 345 A N 1.130 123.854 122.820 -0.160 0.000 2.019 345 A HA -0.173 4.153 4.320 0.009 0.000 0.219 345 A C 1.574 179.081 177.584 -0.129 0.000 1.164 345 A CA 1.646 53.505 52.037 -0.298 0.000 0.644 345 A CB -0.405 18.162 19.000 -0.722 0.000 0.805 345 A HN 0.365 nan 8.150 nan 0.000 0.449 346 N N -1.045 117.627 118.700 -0.047 0.000 2.356 346 N HA 0.258 5.003 4.740 0.009 0.000 0.178 346 N C 1.525 177.044 175.510 0.016 0.000 1.075 346 N CA 0.738 53.804 53.050 0.027 0.000 0.889 346 N CB 0.074 38.581 38.487 0.034 0.000 0.999 346 N HN 0.422 nan 8.380 nan 0.000 0.464 347 A N 0.536 123.353 122.820 -0.004 0.000 1.997 347 A HA 0.176 4.501 4.320 0.009 0.000 0.212 347 A C 0.887 178.469 177.584 -0.004 0.000 1.178 347 A CA 0.277 52.312 52.037 -0.003 0.000 0.698 347 A CB 0.164 19.159 19.000 -0.008 0.000 0.842 347 A HN 0.083 nan 8.150 nan 0.000 0.458 348 R N 0.375 120.868 120.500 -0.012 0.000 2.340 348 R HA 0.259 4.604 4.340 0.009 0.000 0.300 348 R C 0.378 176.681 176.300 0.005 0.000 1.069 348 R CA -0.236 55.858 56.100 -0.011 0.000 0.984 348 R CB 0.784 31.069 30.300 -0.024 0.000 1.003 348 R HN 0.265 nan 8.270 nan 0.000 0.459 349 K N 1.935 122.337 120.400 0.004 0.000 2.148 349 K HA -0.153 4.173 4.320 0.009 0.000 0.204 349 K C 1.665 178.276 176.600 0.018 0.000 1.050 349 K CA 1.298 57.592 56.287 0.010 0.000 0.942 349 K CB 0.233 32.733 32.500 0.001 0.000 0.724 349 K HN 0.612 nan 8.250 nan 0.000 0.446 350 E N 0.128 120.335 120.200 0.012 0.000 2.347 350 E HA -0.134 4.222 4.350 0.009 0.000 0.196 350 E C 1.353 177.983 176.600 0.051 0.000 1.008 350 E CA 0.961 57.373 56.400 0.020 0.000 0.852 350 E CB -0.102 29.601 29.700 0.005 0.000 0.783 350 E HN 0.305 nan 8.360 nan 0.000 0.505 351 C N 0.446 119.781 119.300 0.059 0.000 2.563 351 C HA 0.483 4.949 4.460 0.009 0.000 0.346 351 C C 2.795 177.899 174.990 0.190 0.000 1.334 351 C CA 0.232 59.325 59.018 0.124 0.000 1.938 351 C CB -0.147 27.607 27.740 0.022 0.000 2.445 351 C HN 0.534 nan 8.230 nan 0.000 0.541 352 A N 1.586 124.473 122.820 0.112 0.000 2.076 352 A HA 0.080 4.405 4.320 0.009 0.000 0.220 352 A C 2.253 179.896 177.584 0.098 0.000 1.160 352 A CA 2.027 54.129 52.037 0.108 0.000 0.653 352 A CB -1.061 17.976 19.000 0.061 0.000 0.801 352 A HN 0.575 nan 8.150 nan 0.000 0.455 353 G N -0.955 107.896 108.800 0.084 0.000 2.421 353 G HA2 -0.236 3.730 3.960 0.009 0.000 0.216 353 G HA3 -0.236 3.730 3.960 0.009 0.000 0.216 353 G C 1.525 176.451 174.900 0.043 0.000 1.171 353 G CA 1.384 46.521 45.100 0.062 0.000 0.775 353 G HN 0.540 nan 8.290 nan 0.000 0.543 354 C N -0.509 118.821 119.300 0.049 0.000 2.485 354 C HA 0.198 4.664 4.460 0.009 0.000 0.278 354 C C 2.400 177.322 174.990 -0.113 0.000 1.356 354 C CA 0.253 59.247 59.018 -0.040 0.000 1.747 354 C CB -0.918 26.772 27.740 -0.085 0.000 2.001 354 C HN 0.478 nan 8.230 nan 0.000 0.501 355 H N 0.523 119.618 119.070 0.040 0.000 2.465 355 H HA 0.084 4.646 4.556 0.009 0.000 0.289 355 H C 2.448 177.795 175.328 0.033 0.000 1.022 355 H CA 1.313 57.386 56.048 0.042 0.000 1.340 355 H CB -0.176 29.613 29.762 0.044 0.000 1.437 355 H HN 0.463 nan 8.280 nan 0.000 0.539 356 A N 1.817 124.712 122.820 0.126 0.000 1.940 356 A HA -0.098 4.228 4.320 0.009 0.000 0.219 356 A C -0.310 177.304 177.584 0.049 0.000 1.176 356 A CA 1.146 53.229 52.037 0.078 0.000 0.631 356 A CB -1.189 17.844 19.000 0.055 0.000 0.814 356 A HN 0.311 nan 8.150 nan 0.000 0.446 357 P HA 0.084 nan 4.420 nan 0.000 0.245 357 P C 0.338 177.659 177.300 0.035 0.000 1.212 357 P CA 0.357 63.475 63.100 0.030 0.000 0.774 357 P CB -0.029 31.685 31.700 0.025 0.000 0.999 358 M N 0.141 119.759 119.600 0.029 0.000 2.226 358 M HA 0.125 4.610 4.480 0.009 0.000 0.324 358 M C 0.686 177.004 176.300 0.029 0.000 1.112 358 M CA -0.432 54.883 55.300 0.024 0.000 1.176 358 M CB 0.250 32.857 32.600 0.012 0.000 1.430 358 M HN -0.153 nan 8.290 nan 0.000 0.462 359 Q N 1.622 121.433 119.800 0.018 0.000 2.364 359 Q HA 0.091 4.437 4.340 0.009 0.000 0.267 359 Q C -0.561 175.451 176.000 0.021 0.000 0.999 359 Q CA 0.626 56.438 55.803 0.014 0.000 0.886 359 Q CB 0.400 29.138 28.738 0.001 0.000 1.243 359 Q HN 0.543 nan 8.270 nan 0.000 0.415 360 K N 1.130 121.540 120.400 0.017 0.000 2.358 360 K HA 0.065 4.391 4.320 0.009 0.000 0.200 360 K C 0.750 177.356 176.600 0.010 0.000 1.030 360 K CA 0.811 57.110 56.287 0.019 0.000 1.097 360 K CB 0.664 33.175 32.500 0.019 0.000 0.862 360 K HN 0.922 nan 8.250 nan 0.000 0.534 361 T N -2.543 112.015 114.554 0.006 0.000 3.018 361 T HA 0.296 4.651 4.350 0.009 0.000 0.246 361 T C 0.800 175.499 174.700 -0.001 0.000 1.026 361 T CA -0.316 61.785 62.100 0.002 0.000 1.081 361 T CB 0.352 69.220 68.868 0.001 0.000 0.970 361 T HN 0.010 nan 8.240 nan 0.000 0.475 362 A N 1.376 124.194 122.820 -0.003 0.000 2.312 362 A HA 0.751 5.076 4.320 0.009 0.000 0.328 362 A C -0.325 177.253 177.584 -0.011 0.000 1.158 362 A CA -0.854 51.178 52.037 -0.009 0.000 0.821 362 A CB 0.554 19.548 19.000 -0.010 0.000 1.170 362 A HN 0.459 nan 8.150 nan 0.000 0.490 363 L N 1.524 122.731 121.223 -0.027 0.000 2.416 363 L HA 0.203 4.548 4.340 0.009 0.000 0.272 363 L C 1.164 178.021 176.870 -0.021 0.000 1.161 363 L CA 0.066 54.882 54.840 -0.040 0.000 0.845 363 L CB 1.124 43.123 42.059 -0.101 0.000 1.119 363 L HN 0.736 nan 8.230 nan 0.000 0.464 364 S N 2.180 117.881 115.700 0.001 0.000 2.505 364 S HA 0.060 4.536 4.470 0.009 0.000 0.276 364 S C 0.938 175.553 174.600 0.025 0.000 1.274 364 S CA -0.588 57.625 58.200 0.022 0.000 1.053 364 S CB 0.818 64.049 63.200 0.052 0.000 0.919 364 S HN 0.665 nan 8.310 nan 0.000 0.490 365 Q N 3.721 123.533 119.800 0.020 0.000 2.439 365 Q HA -0.102 4.243 4.340 0.009 0.000 0.211 365 Q C 0.937 176.965 176.000 0.047 0.000 0.978 365 Q CA 1.208 57.025 55.803 0.023 0.000 0.897 365 Q CB -0.261 28.485 28.738 0.014 0.000 0.956 365 Q HN 0.780 nan 8.270 nan 0.000 0.483 366 N N -0.257 118.481 118.700 0.063 0.000 2.446 366 N HA -0.079 4.667 4.740 0.009 0.000 0.179 366 N C 1.683 177.267 175.510 0.123 0.000 1.054 366 N CA 0.800 53.899 53.050 0.082 0.000 0.905 366 N CB 0.273 38.811 38.487 0.084 0.000 0.973 366 N HN 0.144 nan 8.380 nan 0.000 0.448 367 S N -0.656 115.127 115.700 0.139 0.000 2.458 367 S HA 0.006 4.482 4.470 0.009 0.000 0.223 367 S C 2.014 176.761 174.600 0.246 0.000 1.019 367 S CA -0.022 58.311 58.200 0.221 0.000 0.937 367 S CB -0.532 62.784 63.200 0.194 0.000 0.788 367 S HN 0.356 nan 8.310 nan 0.000 0.511 368 C N 3.122 122.531 119.300 0.182 0.000 2.376 368 C HA -0.114 4.352 4.460 0.009 0.000 0.275 368 C C 2.532 177.705 174.990 0.305 0.000 1.200 368 C CA 1.003 60.166 59.018 0.242 0.000 1.756 368 C CB -1.703 26.114 27.740 0.129 0.000 2.050 368 C HN 0.848 nan 8.230 nan 0.000 0.460 369 I N -0.343 120.353 120.570 0.210 0.000 3.176 369 I HA -0.074 4.101 4.170 0.009 0.000 0.275 369 I C 2.005 178.221 176.117 0.165 0.000 1.298 369 I CA 1.292 62.703 61.300 0.186 0.000 1.445 369 I CB -0.641 37.433 38.000 0.124 0.000 1.075 369 I HN 0.271 nan 8.210 nan 0.000 0.482 370 Q N 0.351 120.264 119.800 0.188 0.000 2.432 370 Q HA 0.065 4.410 4.340 0.009 0.000 0.205 370 Q C 1.901 178.057 176.000 0.260 0.000 0.945 370 Q CA 0.833 56.703 55.803 0.112 0.000 0.924 370 Q CB 0.206 28.927 28.738 -0.029 0.000 1.016 370 Q HN 0.666 nan 8.270 nan 0.000 0.503 371 C N -0.917 118.540 119.300 0.262 0.000 2.378 371 C HA 0.164 4.630 4.460 0.009 0.000 0.389 371 C C 1.005 175.971 174.990 -0.039 0.000 1.394 371 C CA -0.350 58.743 59.018 0.125 0.000 2.275 371 C CB -0.180 27.597 27.740 0.062 0.000 2.567 371 C HN 0.388 nan 8.230 nan 0.000 0.556 372 H N 2.568 121.736 119.070 0.164 0.000 2.819 372 H HA 0.227 4.789 4.556 0.009 0.000 0.303 372 H C -0.181 175.219 175.328 0.120 0.000 1.058 372 H CA 0.492 56.612 56.048 0.121 0.000 1.471 372 H CB 0.496 30.325 29.762 0.111 0.000 1.480 372 H HN 0.433 nan 8.280 nan 0.000 0.517 373 E N 1.752 122.069 120.200 0.195 0.000 2.313 373 E HA 0.352 4.707 4.350 0.009 0.000 0.276 373 E C 0.091 176.847 176.600 0.261 0.000 1.031 373 E CA -0.577 55.956 56.400 0.223 0.000 0.857 373 E CB 1.702 31.568 29.700 0.276 0.000 1.040 373 E HN 0.646 nan 8.360 nan 0.000 0.408 374 A N 0.862 123.822 122.820 0.232 0.000 2.271 374 A HA 0.584 4.910 4.320 0.009 0.000 0.288 374 A C 1.073 178.783 177.584 0.209 0.000 1.094 374 A CA 0.238 52.392 52.037 0.194 0.000 0.828 374 A CB 0.368 19.442 19.000 0.122 0.000 1.091 374 A HN 0.734 nan 8.150 nan 0.000 0.493 375 G N -1.477 107.396 108.800 0.122 0.000 2.143 375 G HA2 -0.206 3.760 3.960 0.009 0.000 0.249 375 G HA3 -0.206 3.760 3.960 0.009 0.000 0.249 375 G C -0.037 174.789 174.900 -0.122 0.000 0.981 375 G CA 0.399 45.499 45.100 -0.001 0.000 0.665 375 G HN 0.547 nan 8.290 nan 0.000 0.528 376 F N 1.227 121.091 119.950 -0.143 0.000 2.375 376 F HA 0.556 5.089 4.527 0.009 0.000 0.313 376 F C -1.114 174.420 175.800 -0.443 0.000 1.176 376 F CA -1.926 55.855 58.000 -0.364 0.000 1.142 376 F CB 0.256 39.010 39.000 -0.410 0.000 1.275 376 F HN -0.114 nan 8.300 nan 0.000 0.544 377 P HA 0.103 nan 4.420 nan 0.000 0.269 377 P C 0.221 177.450 177.300 -0.119 0.000 1.209 377 P CA -0.005 62.823 63.100 -0.453 0.000 0.776 377 P CB 0.397 31.660 31.700 -0.728 0.000 0.876 378 T N -2.926 111.641 114.554 0.021 0.000 3.069 378 T HA 0.280 4.635 4.350 0.009 0.000 0.252 378 T C 0.470 175.272 174.700 0.171 0.000 1.053 378 T CA 0.027 62.204 62.100 0.128 0.000 0.964 378 T CB -0.348 68.566 68.868 0.077 0.000 1.005 378 T HN 0.546 nan 8.240 nan 0.000 0.532 379 S N -0.838 114.973 115.700 0.185 0.000 2.615 379 S HA 0.761 5.236 4.470 0.009 0.000 0.269 379 S C -0.190 174.565 174.600 0.258 0.000 1.161 379 S CA -0.319 58.005 58.200 0.206 0.000 0.817 379 S CB 1.428 64.699 63.200 0.119 0.000 1.131 379 S HN 1.530 nan 8.310 nan 0.000 0.467 380 G N 0.237 109.175 108.800 0.229 0.000 2.570 380 G HA2 0.310 4.276 3.960 0.009 0.000 0.686 380 G HA3 0.310 4.276 3.960 0.009 0.000 0.686 380 G C -0.706 174.347 174.900 0.255 0.000 1.257 380 G CA -0.381 44.857 45.100 0.231 0.000 0.846 380 G HN 1.219 nan 8.290 nan 0.000 0.627 381 T N 0.604 115.256 114.554 0.164 0.000 2.940 381 T HA 0.801 5.156 4.350 0.009 0.000 0.288 381 T C -0.081 174.696 174.700 0.127 0.000 1.033 381 T CA -0.368 61.774 62.100 0.070 0.000 1.033 381 T CB 1.992 70.873 68.868 0.021 0.000 1.079 381 T HN 0.829 nan 8.240 nan 0.000 0.496 382 Q N 0.388 120.225 119.800 0.061 0.000 2.438 382 Q HA 0.368 4.713 4.340 0.009 0.000 0.272 382 Q C -1.734 174.289 176.000 0.039 0.000 0.994 382 Q CA -0.507 55.376 55.803 0.134 0.000 0.887 382 Q CB 2.002 30.961 28.738 0.369 0.000 1.432 382 Q HN 0.628 nan 8.270 nan 0.000 0.392 383 T N 3.670 118.257 114.554 0.054 0.000 2.767 383 T HA 0.529 4.885 4.350 0.009 0.000 0.284 383 T C -0.639 174.095 174.700 0.057 0.000 0.973 383 T CA -0.312 61.804 62.100 0.027 0.000 0.996 383 T CB 0.266 69.146 68.868 0.020 0.000 0.927 383 T HN 0.349 nan 8.240 nan 0.000 0.456 384 L N 3.474 124.722 121.223 0.041 0.000 2.318 384 L HA 0.525 4.871 4.340 0.009 0.000 0.277 384 L C 1.090 177.988 176.870 0.046 0.000 1.008 384 L CA -1.008 53.875 54.840 0.072 0.000 0.846 384 L CB 1.266 43.383 42.059 0.096 0.000 1.220 384 L HN 0.702 nan 8.230 nan 0.000 0.423 385 G N 1.293 110.123 108.800 0.049 0.000 2.634 385 G HA2 0.092 4.058 3.960 0.009 0.000 0.255 385 G HA3 0.092 4.058 3.960 0.009 0.000 0.255 385 G C 0.662 175.586 174.900 0.040 0.000 1.205 385 G CA -0.334 44.787 45.100 0.035 0.000 0.884 385 G HN 0.702 nan 8.290 nan 0.000 0.549 386 K N -0.287 120.130 120.400 0.029 0.000 2.020 386 K HA -0.142 4.183 4.320 0.009 0.000 0.212 386 K C 2.304 178.929 176.600 0.041 0.000 1.050 386 K CA 1.803 58.108 56.287 0.031 0.000 0.929 386 K CB -0.033 32.478 32.500 0.018 0.000 0.714 386 K HN 0.558 nan 8.250 nan 0.000 0.443 387 E N 0.345 120.568 120.200 0.038 0.000 2.110 387 E HA -0.225 4.130 4.350 0.009 0.000 0.193 387 E C 1.875 178.507 176.600 0.052 0.000 0.988 387 E CA 1.149 57.573 56.400 0.040 0.000 0.804 387 E CB -0.183 29.537 29.700 0.032 0.000 0.745 387 E HN 0.547 nan 8.360 nan 0.000 0.458 388 E N 1.444 121.680 120.200 0.060 0.000 2.106 388 E HA -0.148 4.208 4.350 0.009 0.000 0.192 388 E C 2.152 178.814 176.600 0.103 0.000 0.984 388 E CA 0.628 57.075 56.400 0.078 0.000 0.806 388 E CB 0.082 29.834 29.700 0.085 0.000 0.750 388 E HN 0.083 nan 8.360 nan 0.000 0.458 389 R N 0.376 120.937 120.500 0.102 0.000 2.083 389 R HA -0.147 4.199 4.340 0.009 0.000 0.237 389 R C 2.302 178.666 176.300 0.107 0.000 1.137 389 R CA 1.896 58.066 56.100 0.117 0.000 0.951 389 R CB -0.218 30.137 30.300 0.091 0.000 0.851 389 R HN 0.367 nan 8.270 nan 0.000 0.434 390 E N 0.144 120.393 120.200 0.081 0.000 2.152 390 E HA -0.092 4.264 4.350 0.009 0.000 0.192 390 E C 1.971 178.612 176.600 0.067 0.000 0.983 390 E CA 0.840 57.282 56.400 0.071 0.000 0.818 390 E CB -0.006 29.726 29.700 0.053 0.000 0.758 390 E HN 0.330 nan 8.360 nan 0.000 0.467 391 A N 1.049 123.909 122.820 0.067 0.000 1.855 391 A HA -0.158 4.168 4.320 0.009 0.000 0.215 391 A C 2.389 180.018 177.584 0.075 0.000 1.191 391 A CA 1.784 53.857 52.037 0.060 0.000 0.613 391 A CB -0.908 18.124 19.000 0.053 0.000 0.829 391 A HN 0.150 nan 8.150 nan 0.000 0.442 392 T N 0.589 115.206 114.554 0.104 0.000 2.652 392 T HA -0.101 4.254 4.350 0.009 0.000 0.267 392 T C 2.255 177.041 174.700 0.143 0.000 1.039 392 T CA 1.958 64.139 62.100 0.135 0.000 1.153 392 T CB -0.671 68.326 68.868 0.214 0.000 0.863 392 T HN 0.630 nan 8.240 nan 0.000 0.428 393 A N 1.633 124.541 122.820 0.147 0.000 1.903 393 A HA -0.075 4.251 4.320 0.009 0.000 0.219 393 A C 2.636 180.273 177.584 0.088 0.000 1.191 393 A CA 2.340 54.452 52.037 0.126 0.000 0.638 393 A CB -1.238 17.831 19.000 0.114 0.000 0.823 393 A HN 0.564 nan 8.150 nan 0.000 0.451 394 A N -0.745 122.115 122.820 0.067 0.000 1.969 394 A HA -0.112 4.214 4.320 0.009 0.000 0.218 394 A C 2.118 179.728 177.584 0.043 0.000 1.169 394 A CA 1.929 53.992 52.037 0.043 0.000 0.635 394 A CB -0.373 18.647 19.000 0.032 0.000 0.810 394 A HN 0.620 nan 8.150 nan 0.000 0.445 395 K N -0.152 120.279 120.400 0.052 0.000 2.076 395 K HA 0.012 4.338 4.320 0.009 0.000 0.204 395 K C 1.770 178.401 176.600 0.052 0.000 1.051 395 K CA 1.147 57.460 56.287 0.043 0.000 0.949 395 K CB -0.274 32.249 32.500 0.039 0.000 0.726 395 K HN 0.456 nan 8.250 nan 0.000 0.443 396 I N 1.330 121.947 120.570 0.078 0.000 2.163 396 I HA -0.311 3.865 4.170 0.009 0.000 0.243 396 I C 2.239 178.401 176.117 0.075 0.000 1.085 396 I CA 1.205 62.561 61.300 0.093 0.000 1.347 396 I CB -0.226 37.864 38.000 0.151 0.000 1.044 396 I HN 0.194 nan 8.210 nan 0.000 0.408 397 L N 0.443 121.705 121.223 0.065 0.000 2.056 397 L HA -0.168 4.177 4.340 0.009 0.000 0.207 397 L C 2.780 179.673 176.870 0.038 0.000 1.078 397 L CA 1.376 56.244 54.840 0.047 0.000 0.749 397 L CB -0.610 41.467 42.059 0.030 0.000 0.901 397 L HN 0.216 nan 8.230 nan 0.000 0.433 398 A N -0.315 122.524 122.820 0.033 0.000 2.015 398 A HA -0.054 4.271 4.320 0.009 0.000 0.219 398 A C 2.381 179.982 177.584 0.028 0.000 1.163 398 A CA 1.397 53.450 52.037 0.026 0.000 0.646 398 A CB -0.560 18.451 19.000 0.019 0.000 0.806 398 A HN 0.384 nan 8.150 nan 0.000 0.448 399 A N -0.582 122.258 122.820 0.033 0.000 2.167 399 A HA 0.044 4.370 4.320 0.009 0.000 0.214 399 A C 1.752 179.356 177.584 0.034 0.000 1.151 399 A CA 1.178 53.233 52.037 0.029 0.000 0.735 399 A CB -0.229 18.787 19.000 0.026 0.000 0.802 399 A HN 0.480 nan 8.150 nan 0.000 0.467 400 K N 0.271 120.698 120.400 0.045 0.000 2.387 400 K HA 0.035 4.360 4.320 0.009 0.000 0.198 400 K C -0.131 176.498 176.600 0.048 0.000 1.022 400 K CA -0.091 56.227 56.287 0.053 0.000 1.128 400 K CB 0.282 32.831 32.500 0.081 0.000 0.853 400 K HN 0.216 nan 8.250 nan 0.000 0.523 401 D N 2.713 123.136 120.400 0.038 0.000 2.541 401 D HA -0.040 4.606 4.640 0.009 0.000 0.231 401 D C -0.637 175.682 176.300 0.031 0.000 1.163 401 D CA 0.486 54.507 54.000 0.036 0.000 1.077 401 D CB 0.133 40.950 40.800 0.027 0.000 1.110 401 D HN 0.004 nan 8.370 nan 0.000 0.499 402 E N 1.281 121.502 120.200 0.036 0.000 2.191 402 E HA 0.232 4.588 4.350 0.009 0.000 0.278 402 E C 0.218 176.833 176.600 0.024 0.000 0.972 402 E CA -0.539 55.878 56.400 0.028 0.000 0.804 402 E CB 1.187 30.902 29.700 0.026 0.000 1.110 402 E HN 0.364 nan 8.360 nan 0.000 0.394 403 K N 4.035 124.446 120.400 0.020 0.000 2.395 403 K HA 0.187 4.513 4.320 0.009 0.000 0.283 403 K C -2.228 174.383 176.600 0.019 0.000 1.068 403 K CA -0.917 55.381 56.287 0.018 0.000 1.039 403 K CB -1.255 31.255 32.500 0.017 0.000 0.924 403 K HN 0.222 nan 8.250 nan 0.000 0.468 404 P HA 0.387 nan 4.420 nan 0.000 0.276 404 P C -0.636 176.682 177.300 0.031 0.000 1.252 404 P CA -0.686 62.428 63.100 0.024 0.000 0.802 404 P CB 0.722 32.437 31.700 0.025 0.000 1.035 405 K N 0.372 120.797 120.400 0.041 0.000 2.316 405 K HA 0.600 4.925 4.320 0.009 0.000 0.251 405 K C -0.277 176.367 176.600 0.074 0.000 0.934 405 K CA -0.302 56.014 56.287 0.049 0.000 0.802 405 K CB 2.076 34.601 32.500 0.041 0.000 1.171 405 K HN 0.703 nan 8.250 nan 0.000 0.426 406 T N -2.407 112.198 114.554 0.084 0.000 2.887 406 T HA 0.475 4.830 4.350 0.009 0.000 0.292 406 T C -0.347 174.437 174.700 0.140 0.000 1.087 406 T CA -0.773 61.411 62.100 0.139 0.000 1.009 406 T CB 1.277 70.217 68.868 0.119 0.000 1.203 406 T HN 0.078 nan 8.240 nan 0.000 0.518 407 V N 3.028 123.061 119.914 0.198 0.000 2.488 407 V HA 0.332 4.458 4.120 0.009 0.000 0.277 407 V C -2.052 174.110 176.094 0.112 0.000 1.046 407 V CA -1.536 60.823 62.300 0.098 0.000 0.986 407 V CB 0.393 32.206 31.823 -0.018 0.000 0.989 407 V HN 0.810 nan 8.190 nan 0.000 0.475 408 P HA 0.009 nan 4.420 nan 0.000 0.261 408 P C 0.945 178.281 177.300 0.059 0.000 1.165 408 P CA 0.354 63.488 63.100 0.057 0.000 0.759 408 P CB 0.414 32.134 31.700 0.033 0.000 0.772 409 L N 2.723 123.989 121.223 0.072 0.000 2.265 409 L HA -0.178 4.167 4.340 0.009 0.000 0.215 409 L C 2.299 179.196 176.870 0.045 0.000 1.117 409 L CA 1.227 56.112 54.840 0.075 0.000 0.782 409 L CB -0.708 41.393 42.059 0.069 0.000 0.914 409 L HN 0.513 nan 8.230 nan 0.000 0.441 410 E N 0.184 120.403 120.200 0.033 0.000 2.268 410 E HA -0.227 4.128 4.350 0.009 0.000 0.195 410 E C 0.889 177.499 176.600 0.017 0.000 0.995 410 E CA 1.333 57.746 56.400 0.023 0.000 0.836 410 E CB -0.510 29.201 29.700 0.018 0.000 0.763 410 E HN 0.592 nan 8.360 nan 0.000 0.491 411 N N 0.249 118.955 118.700 0.010 0.000 2.383 411 N HA 0.072 4.818 4.740 0.009 0.000 0.192 411 N C -0.895 174.608 175.510 -0.013 0.000 1.141 411 N CA -0.030 53.017 53.050 -0.005 0.000 0.851 411 N CB 1.045 39.523 38.487 -0.015 0.000 0.976 411 N HN -0.077 nan 8.380 nan 0.000 0.465 412 V N 2.065 121.981 119.914 0.004 0.000 2.349 412 V HA 0.317 4.443 4.120 0.009 0.000 0.284 412 V C -2.269 173.890 176.094 0.108 0.000 1.014 412 V CA -2.115 60.195 62.300 0.017 0.000 0.826 412 V CB 1.414 33.193 31.823 -0.073 0.000 1.009 412 V HN -0.084 nan 8.190 nan 0.000 0.431 413 P HA -0.027 nan 4.420 nan 0.000 0.263 413 P C 0.880 178.288 177.300 0.180 0.000 1.175 413 P CA 0.528 63.703 63.100 0.126 0.000 0.761 413 P CB 0.970 32.670 31.700 0.000 0.000 0.794 414 E N 3.636 123.882 120.200 0.076 0.000 2.016 414 E HA -0.132 4.224 4.350 0.009 0.000 0.190 414 E C 0.186 176.799 176.600 0.023 0.000 0.985 414 E CA 1.135 57.564 56.400 0.048 0.000 0.802 414 E CB 0.182 29.897 29.700 0.024 0.000 0.762 414 E HN 0.471 nan 8.360 nan 0.000 0.448 415 K N -0.522 119.883 120.400 0.009 0.000 2.527 415 K HA 0.520 4.846 4.320 0.009 0.000 0.260 415 K C -1.282 175.323 176.600 0.007 0.000 0.937 415 K CA -0.711 55.568 56.287 -0.014 0.000 0.826 415 K CB 1.624 34.121 32.500 -0.005 0.000 1.359 415 K HN -0.029 nan 8.250 nan 0.000 0.434 416 L N 1.093 122.340 121.223 0.041 0.000 2.371 416 L HA 0.538 4.883 4.340 0.009 0.000 0.262 416 L C -0.917 176.025 176.870 0.120 0.000 1.006 416 L CA -0.982 53.911 54.840 0.089 0.000 0.818 416 L CB 2.852 45.015 42.059 0.173 0.000 1.354 416 L HN 0.778 nan 8.230 nan 0.000 0.415 417 T N 2.992 117.591 114.554 0.076 0.000 2.809 417 T HA 0.559 4.914 4.350 0.009 0.000 0.284 417 T C -0.426 174.286 174.700 0.021 0.000 0.992 417 T CA -0.398 61.734 62.100 0.054 0.000 0.957 417 T CB 1.083 69.967 68.868 0.027 0.000 0.942 417 T HN 0.249 nan 8.240 nan 0.000 0.439 418 L N 3.979 125.204 121.223 0.005 0.000 2.265 418 L HA 0.523 4.869 4.340 0.009 0.000 0.289 418 L C 0.476 177.301 176.870 -0.074 0.000 1.033 418 L CA -0.659 54.155 54.840 -0.043 0.000 0.814 418 L CB 0.692 42.662 42.059 -0.148 0.000 1.203 418 L HN 0.491 nan 8.230 nan 0.000 0.423 419 N N 1.667 120.273 118.700 -0.158 0.000 2.642 419 N HA 0.168 4.914 4.740 0.009 0.000 0.308 419 N C 0.288 175.699 175.510 -0.164 0.000 1.914 419 N CA -0.160 52.817 53.050 -0.121 0.000 0.893 419 N CB 0.292 38.716 38.487 -0.105 0.000 1.322 419 N HN 0.404 nan 8.380 nan 0.000 0.490 420 Y N -0.356 119.941 120.300 -0.005 0.000 2.457 420 Y HA 0.247 4.802 4.550 0.009 0.000 0.292 420 Y C 0.950 176.875 175.900 0.041 0.000 1.125 420 Y CA 0.823 58.954 58.100 0.051 0.000 1.254 420 Y CB 0.348 38.894 38.460 0.144 0.000 1.012 420 Y HN 0.168 nan 8.280 nan 0.000 0.555 425 G N 0.538 109.328 108.800 -0.017 0.000 2.148 425 G HA2 -0.196 3.769 3.960 0.009 0.000 0.254 425 G HA3 -0.196 3.769 3.960 0.009 0.000 0.254 425 G C -0.393 174.492 174.900 -0.024 0.000 0.981 425 G CA 0.658 45.745 45.100 -0.022 0.000 0.670 425 G HN 0.719 nan 8.290 nan 0.000 0.528 426 D N 0.169 120.555 120.400 -0.024 0.000 2.363 426 D HA 0.366 5.011 4.640 0.009 0.000 0.240 426 D C 1.375 177.624 176.300 -0.086 0.000 1.236 426 D CA 0.403 54.389 54.000 -0.023 0.000 0.927 426 D CB 0.396 41.191 40.800 -0.009 0.000 1.150 426 D HN 0.560 nan 8.370 nan 0.000 0.458 427 E N -0.874 119.245 120.200 -0.136 0.000 2.702 427 E HA 0.105 4.461 4.350 0.009 0.000 0.225 427 E C -0.430 175.749 176.600 -0.701 0.000 0.942 427 E CA -0.258 55.882 56.400 -0.433 0.000 1.210 427 E CB 0.825 30.190 29.700 -0.558 0.000 1.143 427 E HN 0.381 nan 8.360 nan 0.000 0.544 428 W N 1.773 122.991 121.300 -0.137 0.000 2.936 428 W HA 0.367 5.033 4.660 0.009 0.000 0.338 428 W C 0.255 176.708 176.519 -0.110 0.000 1.121 428 W CA -0.798 56.441 57.345 -0.177 0.000 1.209 428 W CB 1.018 30.174 29.460 -0.506 0.000 1.420 428 W HN -0.217 nan 8.180 nan 0.000 0.516 429 Q N 1.198 121.125 119.800 0.211 0.000 2.631 429 Q HA 0.452 4.798 4.340 0.009 0.000 0.210 429 Q C 0.395 176.479 176.000 0.139 0.000 1.094 429 Q CA -0.303 55.583 55.803 0.138 0.000 1.055 429 Q CB 0.363 29.182 28.738 0.136 0.000 1.261 429 Q HN 0.580 nan 8.270 nan 0.000 0.615 430 A N 0.455 123.327 122.820 0.087 0.000 2.511 430 A HA 0.365 4.690 4.320 0.009 0.000 0.242 430 A C -0.202 177.443 177.584 0.101 0.000 1.069 430 A CA 0.213 52.288 52.037 0.064 0.000 0.763 430 A CB -0.067 18.948 19.000 0.025 0.000 1.001 430 A HN 0.650 nan 8.150 nan 0.000 0.498 431 A N 2.839 125.706 122.820 0.078 0.000 2.450 431 A HA 0.476 4.802 4.320 0.009 0.000 0.255 431 A C 0.349 177.973 177.584 0.067 0.000 1.096 431 A CA -0.317 51.760 52.037 0.067 0.000 0.778 431 A CB 0.083 19.073 19.000 -0.018 0.000 1.031 431 A HN 0.798 nan 8.150 nan 0.000 0.494 432 E N 0.749 121.000 120.200 0.086 0.000 2.301 432 E HA 0.427 4.783 4.350 0.009 0.000 0.275 432 E C -1.539 175.178 176.600 0.195 0.000 1.030 432 E CA -0.011 56.457 56.400 0.113 0.000 0.852 432 E CB 1.614 31.364 29.700 0.083 0.000 1.060 432 E HN 0.475 nan 8.360 nan 0.000 0.401 433 F N 4.859 124.824 119.950 0.025 0.000 2.745 433 F HA 0.283 4.815 4.527 0.009 0.000 0.343 433 F C -2.469 173.384 175.800 0.088 0.000 1.196 433 F CA -2.902 55.128 58.000 0.049 0.000 1.021 433 F CB 1.771 40.796 39.000 0.041 0.000 1.297 433 F HN 0.085 nan 8.300 nan 0.000 0.486 434 P HA 0.044 nan 4.420 nan 0.000 0.230 434 P C 0.851 177.919 177.300 -0.387 0.000 1.791 434 P CA 0.453 63.437 63.100 -0.194 0.000 1.020 434 P CB -0.429 31.237 31.700 -0.057 0.000 1.977 435 H N 3.127 121.738 119.070 -0.765 0.000 2.267 435 H HA -0.155 4.407 4.556 0.009 0.000 0.297 435 H C 1.895 177.074 175.328 -0.248 0.000 1.080 435 H CA 1.736 57.311 56.048 -0.789 0.000 1.278 435 H CB 0.174 29.580 29.762 -0.593 0.000 1.365 435 H HN 0.169 nan 8.280 nan 0.000 0.489 436 R N 1.035 121.453 120.500 -0.137 0.000 2.096 436 R HA -0.126 4.220 4.340 0.009 0.000 0.235 436 R C 2.593 178.875 176.300 -0.029 0.000 1.127 436 R CA 1.798 57.862 56.100 -0.060 0.000 0.968 436 R CB -0.141 30.173 30.300 0.024 0.000 0.861 436 R HN 0.340 nan 8.270 nan 0.000 0.440 437 K N 0.383 120.746 120.400 -0.061 0.000 2.103 437 K HA -0.082 4.244 4.320 0.009 0.000 0.204 437 K C 1.936 178.501 176.600 -0.057 0.000 1.052 437 K CA 1.261 57.518 56.287 -0.049 0.000 0.945 437 K CB -0.065 32.407 32.500 -0.046 0.000 0.722 437 K HN 0.194 nan 8.250 nan 0.000 0.443 438 I N 0.504 121.031 120.570 -0.072 0.000 2.202 438 I HA -0.253 3.922 4.170 0.009 0.000 0.242 438 I C 2.376 178.482 176.117 -0.019 0.000 1.091 438 I CA 1.127 62.409 61.300 -0.031 0.000 1.368 438 I CB -0.448 37.562 38.000 0.016 0.000 1.058 438 I HN 0.203 nan 8.210 nan 0.000 0.410 439 Y N 1.996 122.200 120.300 -0.161 0.000 2.114 439 Y HA -0.345 4.210 4.550 0.010 0.000 0.282 439 Y C 2.596 178.449 175.900 -0.078 0.000 1.165 439 Y CA 1.774 59.792 58.100 -0.137 0.000 1.148 439 Y CB -0.625 37.708 38.460 -0.212 0.000 0.972 439 Y HN 0.201 nan 8.280 nan 0.000 0.504 440 Q N -0.317 119.324 119.800 -0.265 0.000 2.061 440 Q HA -0.257 4.089 4.340 0.009 0.000 0.204 440 Q C 2.272 178.135 176.000 -0.229 0.000 0.984 440 Q CA 2.013 57.640 55.803 -0.293 0.000 0.846 440 Q CB -0.256 28.410 28.738 -0.120 0.000 0.902 440 Q HN 0.258 nan 8.270 nan 0.000 0.421 441 K N 1.105 121.419 120.400 -0.144 0.000 2.057 441 K HA -0.108 4.218 4.320 0.009 0.000 0.206 441 K C 1.781 178.319 176.600 -0.105 0.000 1.050 441 K CA 1.169 57.396 56.287 -0.100 0.000 0.935 441 K CB -0.312 32.150 32.500 -0.063 0.000 0.715 441 K HN 0.139 nan 8.250 nan 0.000 0.439 442 L N -0.263 120.890 121.223 -0.116 0.000 2.046 442 L HA -0.149 4.197 4.340 0.009 0.000 0.208 442 L C 2.270 179.073 176.870 -0.111 0.000 1.077 442 L CA 0.886 55.679 54.840 -0.079 0.000 0.747 442 L CB -0.420 41.615 42.059 -0.041 0.000 0.896 442 L HN -0.006 nan 8.230 nan 0.000 0.432 443 V N 0.590 120.353 119.914 -0.251 0.000 2.427 443 V HA -0.256 3.870 4.120 0.009 0.000 0.248 443 V C 2.516 178.527 176.094 -0.138 0.000 1.051 443 V CA 2.078 64.230 62.300 -0.247 0.000 1.048 443 V CB -0.487 31.015 31.823 -0.537 0.000 0.666 443 V HN 0.646 nan 8.190 nan 0.000 0.456 444 E N -0.210 119.906 120.200 -0.140 0.000 2.107 444 E HA -0.198 4.157 4.350 0.009 0.000 0.191 444 E C 1.886 178.453 176.600 -0.055 0.000 0.982 444 E CA 1.207 57.554 56.400 -0.087 0.000 0.809 444 E CB -0.280 29.370 29.700 -0.083 0.000 0.756 444 E HN 0.536 nan 8.360 nan 0.000 0.459 445 E N 1.166 121.336 120.200 -0.050 0.000 2.107 445 E HA -0.101 4.255 4.350 0.009 0.000 0.191 445 E C 2.181 178.772 176.600 -0.014 0.000 0.982 445 E CA 1.193 57.576 56.400 -0.029 0.000 0.809 445 E CB -0.301 29.385 29.700 -0.023 0.000 0.756 445 E HN 0.453 nan 8.360 nan 0.000 0.459 446 A N 1.646 124.468 122.820 0.005 0.000 1.969 446 A HA -0.006 4.319 4.320 0.009 0.000 0.218 446 A C 2.385 179.976 177.584 0.012 0.000 1.169 446 A CA 1.598 53.659 52.037 0.041 0.000 0.635 446 A CB -0.463 18.621 19.000 0.140 0.000 0.810 446 A HN 0.241 nan 8.150 nan 0.000 0.445 447 A N 0.006 122.826 122.820 -0.000 0.000 2.125 447 A HA -0.126 4.199 4.320 0.009 0.000 0.219 447 A C 1.894 179.466 177.584 -0.020 0.000 1.156 447 A CA 1.564 53.596 52.037 -0.008 0.000 0.671 447 A CB -0.409 18.581 19.000 -0.016 0.000 0.794 447 A HN 0.587 nan 8.150 nan 0.000 0.459 448 K N -0.059 120.325 120.400 -0.025 0.000 2.432 448 K HA 0.034 4.360 4.320 0.009 0.000 0.196 448 K C 0.554 177.124 176.600 -0.051 0.000 1.038 448 K CA 0.645 56.914 56.287 -0.030 0.000 0.986 448 K CB 0.062 32.546 32.500 -0.025 0.000 0.782 448 K HN 0.302 nan 8.250 nan 0.000 0.485 449 S N 1.248 116.905 115.700 -0.072 0.000 2.461 449 S HA 0.244 4.720 4.470 0.009 0.000 0.322 449 S C -2.164 172.343 174.600 -0.155 0.000 1.063 449 S CA -2.016 56.107 58.200 -0.128 0.000 1.120 449 S CB 1.110 64.233 63.200 -0.127 0.000 0.968 449 S HN -0.156 nan 8.310 nan 0.000 0.467 450 P HA -0.169 nan 4.420 nan 0.000 0.216 450 P C 1.613 178.796 177.300 -0.195 0.000 1.150 450 P CA 1.109 64.096 63.100 -0.188 0.000 0.843 450 P CB 0.060 31.592 31.700 -0.281 0.000 0.787 451 M N -0.887 118.543 119.600 -0.284 0.000 2.067 451 M HA -0.195 4.290 4.480 0.009 0.000 0.260 451 M C 1.956 178.217 176.300 -0.065 0.000 1.069 451 M CA 2.290 57.494 55.300 -0.161 0.000 1.117 451 M CB -0.570 31.835 32.600 -0.325 0.000 1.334 451 M HN -0.097 nan 8.290 nan 0.000 0.407 452 A N 0.981 123.669 122.820 -0.221 0.000 1.883 452 A HA -0.229 4.097 4.320 0.009 0.000 0.217 452 A C 1.708 179.032 177.584 -0.433 0.000 1.186 452 A CA 2.217 53.970 52.037 -0.474 0.000 0.624 452 A CB -1.112 17.735 19.000 -0.254 0.000 0.822 452 A HN 0.648 nan 8.150 nan 0.000 0.444 453 N N -1.137 117.465 118.700 -0.163 0.000 2.166 453 N HA -0.162 4.584 4.740 0.009 0.000 0.186 453 N C 1.622 177.093 175.510 -0.064 0.000 1.019 453 N CA 1.755 54.768 53.050 -0.062 0.000 0.856 453 N CB -0.614 37.860 38.487 -0.022 0.000 0.993 453 N HN 0.815 nan 8.380 nan 0.000 0.426 454 H N -0.440 118.524 119.070 -0.176 0.000 2.307 454 H HA 0.072 4.634 4.556 0.009 0.000 0.303 454 H C 1.516 176.635 175.328 -0.349 0.000 1.073 454 H CA 1.570 57.447 56.048 -0.286 0.000 1.338 454 H CB -0.279 29.217 29.762 -0.444 0.000 1.389 454 H HN 0.093 nan 8.280 nan 0.000 0.503 455 F N -0.500 119.387 119.950 -0.106 0.000 2.416 455 F HA 0.005 4.538 4.527 0.009 0.000 0.296 455 F C 2.272 178.091 175.800 0.032 0.000 1.099 455 F CA 0.888 58.851 58.000 -0.061 0.000 1.427 455 F CB -0.237 38.760 39.000 -0.005 0.000 1.079 455 F HN 0.357 nan 8.300 nan 0.000 0.536 456 H N -0.523 118.632 119.070 0.142 0.000 2.352 456 H HA 0.001 4.563 4.556 0.009 0.000 0.299 456 H C 2.143 177.486 175.328 0.025 0.000 1.097 456 H CA 0.471 56.573 56.048 0.090 0.000 1.311 456 H CB -0.496 29.321 29.762 0.091 0.000 1.377 456 H HN 0.364 nan 8.280 nan 0.000 0.504 457 G N 0.864 109.701 108.800 0.061 0.000 2.588 457 G HA2 -0.323 3.643 3.960 0.009 0.000 0.273 457 G HA3 -0.323 3.643 3.960 0.009 0.000 0.273 457 G C -0.231 174.687 174.900 0.030 0.000 1.211 457 G CA 0.056 45.144 45.100 -0.020 0.000 0.958 457 G HN 0.444 nan 8.290 nan 0.000 0.543 458 D N 2.120 122.547 120.400 0.045 0.000 2.399 458 D HA 0.429 5.075 4.640 0.009 0.000 0.241 458 D C 1.777 178.116 176.300 0.065 0.000 1.133 458 D CA 0.644 54.672 54.000 0.046 0.000 0.890 458 D CB 1.277 42.101 40.800 0.040 0.000 1.201 458 D HN 0.753 nan 8.370 nan 0.000 0.432 459 A N 3.966 126.821 122.820 0.060 0.000 1.978 459 A HA -0.171 4.155 4.320 0.009 0.000 0.220 459 A C 2.245 179.873 177.584 0.073 0.000 1.170 459 A CA 1.117 53.202 52.037 0.079 0.000 0.636 459 A CB -0.365 18.675 19.000 0.067 0.000 0.810 459 A HN 0.699 nan 8.150 nan 0.000 0.448 460 L N -0.522 120.726 121.223 0.042 0.000 2.376 460 L HA -0.098 4.248 4.340 0.009 0.000 0.219 460 L C 2.819 179.707 176.870 0.031 0.000 1.133 460 L CA 1.280 56.134 54.840 0.023 0.000 0.816 460 L CB -0.678 41.388 42.059 0.010 0.000 0.933 460 L HN 0.628 nan 8.230 nan 0.000 0.449 461 T N -0.462 114.113 114.554 0.037 0.000 2.684 461 T HA -0.292 4.064 4.350 0.009 0.000 0.267 461 T C 1.863 176.537 174.700 -0.042 0.000 1.036 461 T CA 1.541 63.647 62.100 0.011 0.000 1.148 461 T CB -0.119 68.772 68.868 0.039 0.000 0.863 461 T HN 0.215 nan 8.240 nan 0.000 0.436 462 M N 0.244 119.807 119.600 -0.063 0.000 2.202 462 M HA -0.072 4.414 4.480 0.009 0.000 0.262 462 M C 2.741 179.071 176.300 0.050 0.000 1.063 462 M CA 1.441 56.703 55.300 -0.064 0.000 1.097 462 M CB -0.684 31.927 32.600 0.019 0.000 1.382 462 M HN 0.478 nan 8.290 nan 0.000 0.413 463 C N -0.399 118.946 119.300 0.074 0.000 2.403 463 C HA -0.147 4.319 4.460 0.009 0.000 0.277 463 C C 2.772 177.839 174.990 0.129 0.000 1.248 463 C CA 1.236 60.311 59.018 0.095 0.000 1.762 463 C CB -1.138 26.628 27.740 0.043 0.000 2.014 463 C HN 0.516 nan 8.230 nan 0.000 0.486 464 S N 0.440 116.189 115.700 0.080 0.000 2.547 464 S HA -0.001 4.474 4.470 0.009 0.000 0.235 464 S C 1.909 176.535 174.600 0.043 0.000 0.980 464 S CA 0.943 59.196 58.200 0.088 0.000 0.941 464 S CB -0.357 62.881 63.200 0.064 0.000 0.763 464 S HN 0.808 nan 8.310 nan 0.000 0.532 465 G N -0.237 108.556 108.800 -0.012 0.000 2.471 465 G HA2 -0.138 3.828 3.960 0.009 0.000 0.219 465 G HA3 -0.138 3.828 3.960 0.009 0.000 0.219 465 G C 1.223 176.059 174.900 -0.106 0.000 1.125 465 G CA 0.964 46.027 45.100 -0.062 0.000 0.775 465 G HN 0.582 nan 8.290 nan 0.000 0.548 466 C N -1.099 118.120 119.300 -0.135 0.000 2.393 466 C HA 0.275 4.741 4.460 0.009 0.000 0.332 466 C C 1.010 175.767 174.990 -0.388 0.000 1.423 466 C CA -0.520 58.315 59.018 -0.305 0.000 2.097 466 C CB -0.389 27.165 27.740 -0.309 0.000 2.274 466 C HN 0.415 nan 8.230 nan 0.000 0.570 467 H N 2.465 121.513 119.070 -0.037 0.000 2.970 467 H HA 0.135 4.697 4.556 0.009 0.000 0.226 467 H C 0.427 175.814 175.328 0.098 0.000 1.909 467 H CA 0.348 56.405 56.048 0.015 0.000 1.388 467 H CB -0.985 28.802 29.762 0.042 0.000 1.773 467 H HN 0.763 nan 8.280 nan 0.000 0.559 468 H N -0.966 118.146 119.070 0.071 0.000 2.500 468 H HA 0.225 4.787 4.556 0.009 0.000 0.351 468 H C 0.300 175.650 175.328 0.037 0.000 1.281 468 H CA -1.008 55.062 56.048 0.038 0.000 1.368 468 H CB 0.977 30.741 29.762 0.003 0.000 1.616 468 H HN 0.101 nan 8.280 nan 0.000 0.591 469 N N -1.231 117.485 118.700 0.028 0.000 2.747 469 N HA -0.189 4.556 4.740 0.009 0.000 0.249 469 N C -1.049 174.458 175.510 -0.005 0.000 1.107 469 N CA 1.094 54.097 53.050 -0.079 0.000 0.707 469 N CB -1.235 37.108 38.487 -0.242 0.000 1.054 469 N HN 0.835 nan 8.380 nan 0.000 0.555 470 A N -0.486 122.356 122.820 0.037 0.000 2.609 470 A HA 0.535 4.861 4.320 0.009 0.000 0.291 470 A C -0.184 177.417 177.584 0.028 0.000 1.096 470 A CA -0.771 51.282 52.037 0.027 0.000 0.684 470 A CB 1.398 20.424 19.000 0.044 0.000 1.282 470 A HN 0.114 nan 8.150 nan 0.000 0.412 471 K N 0.969 121.378 120.400 0.015 0.000 2.491 471 K HA 0.177 4.503 4.320 0.009 0.000 0.279 471 K C -2.161 174.448 176.600 0.016 0.000 1.026 471 K CA -0.733 55.562 56.287 0.014 0.000 1.070 471 K CB -0.089 32.414 32.500 0.006 0.000 0.887 471 K HN 0.346 nan 8.250 nan 0.000 0.481 472 P HA -0.060 nan 4.420 nan 0.000 0.263 472 P C -1.035 176.263 177.300 -0.004 0.000 1.175 472 P CA 0.325 63.435 63.100 0.016 0.000 0.761 472 P CB 0.852 32.564 31.700 0.020 0.000 0.794 473 S N 1.631 117.316 115.700 -0.025 0.000 2.565 473 S HA 0.333 4.808 4.470 0.009 0.000 0.269 473 S C 0.481 175.039 174.600 -0.069 0.000 1.153 473 S CA -0.698 57.478 58.200 -0.041 0.000 0.835 473 S CB 0.615 63.787 63.200 -0.047 0.000 1.122 473 S HN 0.237 nan 8.310 nan 0.000 0.462 474 L N 1.804 122.991 121.223 -0.060 0.000 2.395 474 L HA 0.245 4.590 4.340 0.009 0.000 0.218 474 L C -0.084 176.734 176.870 -0.087 0.000 1.130 474 L CA 0.644 55.441 54.840 -0.071 0.000 0.826 474 L CB -0.316 41.716 42.059 -0.046 0.000 0.941 474 L HN 0.519 nan 8.230 nan 0.000 0.451 475 N N 0.214 118.862 118.700 -0.086 0.000 2.804 475 N HA 0.218 4.964 4.740 0.009 0.000 0.251 475 N C -2.493 172.949 175.510 -0.114 0.000 1.250 475 N CA -1.001 51.993 53.050 -0.092 0.000 0.820 475 N CB 0.971 39.428 38.487 -0.051 0.000 1.156 475 N HN -0.043 nan 8.380 nan 0.000 0.512 476 P HA 0.326 nan 4.420 nan 0.000 0.274 476 P C -2.473 174.766 177.300 -0.101 0.000 1.237 476 P CA -0.970 62.002 63.100 -0.214 0.000 0.793 476 P CB 0.295 31.654 31.700 -0.567 0.000 0.977 477 P HA 0.194 nan 4.420 nan 0.000 0.271 477 P C -0.274 177.067 177.300 0.069 0.000 1.233 477 P CA -0.056 63.059 63.100 0.024 0.000 0.789 477 P CB 0.238 31.958 31.700 0.033 0.000 0.951 478 K N 0.319 120.765 120.400 0.078 0.000 2.326 478 K HA 0.077 4.403 4.320 0.009 0.000 0.275 478 K C 1.065 177.682 176.600 0.028 0.000 1.018 478 K CA 0.117 56.462 56.287 0.096 0.000 0.962 478 K CB -0.356 32.231 32.500 0.145 0.000 0.953 478 K HN 0.398 nan 8.250 nan 0.000 0.475 479 C N 1.854 121.123 119.300 -0.052 0.000 2.398 479 C HA -0.247 4.219 4.460 0.009 0.000 0.276 479 C C 2.471 177.387 174.990 -0.124 0.000 1.222 479 C CA 1.434 60.361 59.018 -0.153 0.000 1.746 479 C CB -1.034 26.385 27.740 -0.535 0.000 2.039 479 C HN 0.931 nan 8.230 nan 0.000 0.470 480 A N 1.409 124.092 122.820 -0.229 0.000 1.917 480 A HA -0.235 4.091 4.320 0.009 0.000 0.219 480 A C 2.296 179.859 177.584 -0.036 0.000 1.182 480 A CA 2.694 54.655 52.037 -0.126 0.000 0.633 480 A CB -1.069 17.880 19.000 -0.086 0.000 0.819 480 A HN 0.797 nan 8.150 nan 0.000 0.448 481 S N -1.350 114.343 115.700 -0.011 0.000 2.423 481 S HA -0.246 4.229 4.470 0.009 0.000 0.238 481 S C 1.705 176.275 174.600 -0.050 0.000 1.028 481 S CA 1.772 59.968 58.200 -0.008 0.000 1.000 481 S CB -1.108 62.097 63.200 0.009 0.000 0.797 481 S HN 0.610 nan 8.310 nan 0.000 0.487 482 C N -0.229 119.015 119.300 -0.094 0.000 2.689 482 C HA 0.387 4.852 4.460 0.009 0.000 0.336 482 C C 2.215 176.998 174.990 -0.346 0.000 1.304 482 C CA -0.225 58.658 59.018 -0.224 0.000 1.860 482 C CB -0.863 26.698 27.740 -0.299 0.000 2.405 482 C HN 0.657 nan 8.230 nan 0.000 0.557 483 H N -0.056 118.959 119.070 -0.092 0.000 2.563 483 H HA 0.160 4.722 4.556 0.009 0.000 0.264 483 H C 1.714 176.998 175.328 -0.073 0.000 0.957 483 H CA 0.584 56.572 56.048 -0.100 0.000 1.173 483 H CB 0.255 29.907 29.762 -0.183 0.000 1.420 483 H HN 0.326 nan 8.280 nan 0.000 0.551 484 S N 0.425 116.129 115.700 0.006 0.000 2.556 484 S HA 0.075 4.551 4.470 0.009 0.000 0.216 484 S C 0.777 175.386 174.600 0.015 0.000 0.970 484 S CA -0.140 58.072 58.200 0.021 0.000 0.912 484 S CB 0.539 63.758 63.200 0.031 0.000 0.790 484 S HN 0.272 nan 8.310 nan 0.000 0.504 485 K N 2.471 122.862 120.400 -0.015 0.000 2.440 485 K HA 0.106 4.432 4.320 0.009 0.000 0.270 485 K C -2.667 173.943 176.600 0.017 0.000 0.980 485 K CA -1.184 55.094 56.287 -0.016 0.000 0.953 485 K CB -0.160 32.307 32.500 -0.055 0.000 0.925 485 K HN 0.008 nan 8.250 nan 0.000 0.497 486 P HA -0.104 nan 4.420 nan 0.000 0.267 486 P C 0.192 177.539 177.300 0.079 0.000 1.200 486 P CA -0.014 63.122 63.100 0.060 0.000 0.772 486 P CB 0.298 32.020 31.700 0.036 0.000 0.855 487 F N 3.057 123.000 119.950 -0.011 0.000 2.111 487 F HA -0.314 4.218 4.527 0.009 0.000 0.300 487 F C 1.547 177.338 175.800 -0.015 0.000 1.088 487 F CA 2.014 60.008 58.000 -0.010 0.000 1.243 487 F CB -0.766 38.231 39.000 -0.004 0.000 0.996 487 F HN 0.291 nan 8.300 nan 0.000 0.483 488 Q N 0.468 120.039 119.800 -0.381 0.000 2.488 488 Q HA -0.066 4.280 4.340 0.009 0.000 0.211 488 Q C 1.518 177.339 176.000 -0.298 0.000 0.967 488 Q CA 1.310 56.831 55.803 -0.470 0.000 0.926 488 Q CB -0.624 27.988 28.738 -0.212 0.000 0.992 488 Q HN 0.565 nan 8.270 nan 0.000 0.506 489 E N 0.485 120.563 120.200 -0.202 0.000 2.447 489 E HA 0.090 4.445 4.350 0.009 0.000 0.195 489 E C 0.157 176.668 176.600 -0.149 0.000 1.028 489 E CA 0.059 56.373 56.400 -0.143 0.000 0.876 489 E CB 0.421 30.065 29.700 -0.093 0.000 0.885 489 E HN 0.315 nan 8.360 nan 0.000 0.500 490 R N 1.535 121.932 120.500 -0.173 0.000 2.536 490 R HA 0.230 4.576 4.340 0.009 0.000 0.279 490 R C 0.619 176.837 176.300 -0.138 0.000 1.001 490 R CA -0.173 55.848 56.100 -0.131 0.000 1.027 490 R CB 1.109 31.372 30.300 -0.061 0.000 1.096 490 R HN 0.004 nan 8.270 nan 0.000 0.502 491 T N -1.477 113.019 114.554 -0.096 0.000 2.754 491 T HA 0.203 4.559 4.350 0.009 0.000 0.286 491 T C 1.405 176.086 174.700 -0.031 0.000 0.997 491 T CA -0.193 61.862 62.100 -0.074 0.000 0.982 491 T CB 1.203 70.034 68.868 -0.063 0.000 1.027 491 T HN 0.605 nan 8.240 nan 0.000 0.529 492 A N 1.098 123.909 122.820 -0.015 0.000 1.933 492 A HA -0.041 4.284 4.320 0.009 0.000 0.218 492 A C 2.021 179.637 177.584 0.053 0.000 1.175 492 A CA 1.049 53.103 52.037 0.028 0.000 0.628 492 A CB -0.751 18.263 19.000 0.023 0.000 0.814 492 A HN 0.845 nan 8.150 nan 0.000 0.444 493 N N -0.189 118.532 118.700 0.035 0.000 2.276 493 N HA 0.028 4.774 4.740 0.009 0.000 0.212 493 N C 0.048 175.601 175.510 0.072 0.000 1.127 493 N CA 0.140 53.218 53.050 0.046 0.000 0.834 493 N CB 0.404 38.908 38.487 0.028 0.000 1.014 493 N HN 0.648 nan 8.380 nan 0.000 0.491 494 Q N 2.150 122.001 119.800 0.084 0.000 2.509 494 Q HA 0.257 4.602 4.340 0.009 0.000 0.236 494 Q C -2.480 173.640 176.000 0.199 0.000 1.073 494 Q CA -1.876 54.016 55.803 0.149 0.000 0.867 494 Q CB 1.324 30.069 28.738 0.011 0.000 1.181 494 Q HN 0.035 nan 8.270 nan 0.000 0.526 495 P HA 0.066 nan 4.420 nan 0.000 0.273 495 P C 0.220 177.646 177.300 0.211 0.000 1.250 495 P CA -0.063 63.126 63.100 0.149 0.000 0.793 495 P CB 0.525 32.237 31.700 0.019 0.000 1.011 496 G N -0.302 108.562 108.800 0.108 0.000 2.611 496 G HA2 0.141 4.106 3.960 0.009 0.000 0.273 496 G HA3 0.141 4.106 3.960 0.009 0.000 0.273 496 G C 0.748 175.648 174.900 -0.000 0.000 1.305 496 G CA -0.433 44.714 45.100 0.077 0.000 1.010 496 G HN 0.493 nan 8.290 nan 0.000 0.509 497 L N -0.321 120.891 121.223 -0.018 0.000 2.044 497 L HA 0.088 4.433 4.340 0.009 0.000 0.205 497 L C 2.770 179.577 176.870 -0.104 0.000 1.075 497 L CA 2.089 56.861 54.840 -0.113 0.000 0.747 497 L CB -0.534 41.491 42.059 -0.057 0.000 0.903 497 L HN 0.701 nan 8.230 nan 0.000 0.435 498 K N -0.796 119.590 120.400 -0.023 0.000 2.032 498 K HA -0.179 4.147 4.320 0.009 0.000 0.209 498 K C 1.952 178.486 176.600 -0.109 0.000 1.048 498 K CA 1.583 57.832 56.287 -0.064 0.000 0.927 498 K CB -0.649 31.783 32.500 -0.113 0.000 0.712 498 K HN 0.505 nan 8.250 nan 0.000 0.441 499 G N 0.352 109.104 108.800 -0.080 0.000 2.418 499 G HA2 -0.266 3.700 3.960 0.009 0.000 0.217 499 G HA3 -0.266 3.700 3.960 0.009 0.000 0.217 499 G C 1.560 176.390 174.900 -0.116 0.000 1.158 499 G CA 1.019 46.087 45.100 -0.053 0.000 0.771 499 G HN 0.465 nan 8.290 nan 0.000 0.545 500 A N 0.624 123.283 122.820 -0.268 0.000 1.865 500 A HA 0.040 4.366 4.320 0.009 0.000 0.217 500 A C 2.178 179.534 177.584 -0.381 0.000 1.191 500 A CA 1.691 53.420 52.037 -0.514 0.000 0.623 500 A CB -0.646 17.782 19.000 -0.953 0.000 0.826 500 A HN 0.267 nan 8.150 nan 0.000 0.444 501 F N -0.563 119.243 119.950 -0.240 0.000 2.051 501 F HA -0.110 4.422 4.527 0.009 0.000 0.296 501 F C 2.431 178.172 175.800 -0.098 0.000 1.122 501 F CA 1.717 59.594 58.000 -0.204 0.000 1.201 501 F CB -1.174 37.713 39.000 -0.189 0.000 0.978 501 F HN 0.372 nan 8.300 nan 0.000 0.472 502 H N -0.425 118.665 119.070 0.032 0.000 2.319 502 H HA -0.180 4.381 4.556 0.009 0.000 0.297 502 H C 1.912 177.186 175.328 -0.090 0.000 1.097 502 H CA 1.198 57.216 56.048 -0.050 0.000 1.285 502 H CB -0.092 29.649 29.762 -0.036 0.000 1.368 502 H HN 0.171 nan 8.280 nan 0.000 0.495 503 N N 0.464 119.184 118.700 0.034 0.000 2.188 503 N HA -0.147 4.598 4.740 0.009 0.000 0.184 503 N C 1.920 177.386 175.510 -0.073 0.000 1.018 503 N CA 0.847 53.877 53.050 -0.032 0.000 0.858 503 N CB -0.307 38.159 38.487 -0.035 0.000 0.989 503 N HN 0.499 nan 8.380 nan 0.000 0.426 504 Q N 0.035 119.769 119.800 -0.110 0.000 2.062 504 Q HA -0.020 4.326 4.340 0.009 0.000 0.196 504 Q C 1.935 177.854 176.000 -0.135 0.000 0.967 504 Q CA 1.120 56.840 55.803 -0.137 0.000 0.832 504 Q CB -0.003 28.607 28.738 -0.214 0.000 0.899 504 Q HN 0.336 nan 8.270 nan 0.000 0.442 505 C N 0.380 119.588 119.300 -0.153 0.000 2.440 505 C HA -0.154 4.311 4.460 0.009 0.000 0.282 505 C C 2.555 177.315 174.990 -0.384 0.000 1.223 505 C CA 0.780 59.637 59.018 -0.268 0.000 1.744 505 C CB -1.123 26.454 27.740 -0.272 0.000 2.061 505 C HN 0.565 nan 8.230 nan 0.000 0.456 506 I N 1.409 121.790 120.570 -0.314 0.000 2.226 506 I HA -0.114 4.061 4.170 0.009 0.000 0.245 506 I C 2.759 178.801 176.117 -0.125 0.000 1.100 506 I CA 1.757 62.892 61.300 -0.275 0.000 1.374 506 I CB -1.160 36.693 38.000 -0.246 0.000 1.057 506 I HN 0.505 nan 8.210 nan 0.000 0.413 507 G N 0.201 108.946 108.800 -0.092 0.000 2.529 507 G HA2 -0.375 3.591 3.960 0.009 0.000 0.219 507 G HA3 -0.375 3.591 3.960 0.009 0.000 0.219 507 G C 1.909 176.807 174.900 -0.003 0.000 1.177 507 G CA 1.147 46.223 45.100 -0.039 0.000 0.773 507 G HN 0.519 nan 8.290 nan 0.000 0.573 508 C N 0.035 119.336 119.300 0.001 0.000 2.425 508 C HA 0.003 4.469 4.460 0.009 0.000 0.277 508 C C 2.534 177.614 174.990 0.150 0.000 1.280 508 C CA 1.331 60.389 59.018 0.067 0.000 1.744 508 C CB -1.398 26.389 27.740 0.078 0.000 1.989 508 C HN 0.619 nan 8.230 nan 0.000 0.491 509 H N -0.315 118.743 119.070 -0.021 0.000 2.353 509 H HA -0.155 4.407 4.556 0.009 0.000 0.300 509 H C 2.417 177.729 175.328 -0.026 0.000 1.090 509 H CA 1.810 57.844 56.048 -0.024 0.000 1.327 509 H CB -0.136 29.601 29.762 -0.042 0.000 1.383 509 H HN 0.652 nan 8.280 nan 0.000 0.508 510 Q N 0.375 120.236 119.800 0.102 0.000 2.124 510 Q HA -0.132 4.214 4.340 0.009 0.000 0.202 510 Q C 2.115 178.134 176.000 0.032 0.000 0.977 510 Q CA 0.898 56.726 55.803 0.042 0.000 0.850 510 Q CB 0.171 28.919 28.738 0.016 0.000 0.901 510 Q HN 0.495 nan 8.270 nan 0.000 0.429 511 E N 0.402 120.625 120.200 0.038 0.000 2.106 511 E HA -0.097 4.259 4.350 0.009 0.000 0.192 511 E C 1.799 178.414 176.600 0.026 0.000 0.984 511 E CA 1.072 57.491 56.400 0.031 0.000 0.806 511 E CB -0.017 29.706 29.700 0.038 0.000 0.750 511 E HN 0.479 nan 8.360 nan 0.000 0.458 512 M N -0.398 119.220 119.600 0.030 0.000 2.509 512 M HA 0.036 4.522 4.480 0.009 0.000 0.250 512 M C -0.105 176.188 176.300 -0.011 0.000 1.132 512 M CA 0.263 55.570 55.300 0.012 0.000 1.080 512 M CB 0.240 32.848 32.600 0.013 0.000 1.408 512 M HN -0.086 nan 8.290 nan 0.000 0.484 513 Q N 0.722 120.516 119.800 -0.009 0.000 2.470 513 Q HA -0.113 4.233 4.340 0.009 0.000 0.290 513 Q C -0.780 175.186 176.000 -0.057 0.000 1.353 513 Q CA 0.177 55.966 55.803 -0.024 0.000 0.787 513 Q CB -1.933 26.793 28.738 -0.020 0.000 1.158 513 Q HN 0.536 nan 8.270 nan 0.000 0.426 514 V N -2.803 117.049 119.914 -0.103 0.000 2.881 514 V HA 0.731 4.856 4.120 0.009 0.000 0.316 514 V C 0.253 176.201 176.094 -0.244 0.000 1.070 514 V CA -1.104 61.078 62.300 -0.197 0.000 0.976 514 V CB 2.185 33.833 31.823 -0.291 0.000 1.038 514 V HN 0.174 nan 8.190 nan 0.000 0.446 515 N N 2.101 120.675 118.700 -0.211 0.000 2.509 515 N HA 0.580 5.325 4.740 0.009 0.000 0.287 515 N C -2.662 172.736 175.510 -0.187 0.000 1.121 515 N CA -1.257 51.707 53.050 -0.143 0.000 0.977 515 N CB 0.955 39.394 38.487 -0.079 0.000 1.167 515 N HN 0.629 nan 8.380 nan 0.000 0.476 516 P HA 0.165 nan 4.420 nan 0.000 0.271 516 P C -0.328 177.030 177.300 0.097 0.000 1.216 516 P CA -0.011 63.112 63.100 0.037 0.000 0.776 516 P CB 0.774 32.491 31.700 0.027 0.000 0.881 517 K N 1.206 121.617 120.400 0.018 0.000 2.120 517 K HA 0.414 4.739 4.320 0.009 0.000 0.245 517 K C 1.509 178.090 176.600 -0.031 0.000 1.024 517 K CA -0.316 55.977 56.287 0.011 0.000 0.906 517 K CB 0.173 32.667 32.500 -0.011 0.000 1.051 517 K HN 0.337 nan 8.250 nan 0.000 0.491 518 A N 0.615 123.406 122.820 -0.049 0.000 2.024 518 A HA -0.164 4.161 4.320 0.009 0.000 0.220 518 A C 1.896 179.405 177.584 -0.126 0.000 1.164 518 A CA 2.201 54.169 52.037 -0.114 0.000 0.643 518 A CB -1.070 17.871 19.000 -0.098 0.000 0.806 518 A HN 0.858 nan 8.150 nan 0.000 0.451 519 T N -3.435 111.074 114.554 -0.075 0.000 3.081 519 T HA 0.079 4.434 4.350 0.009 0.000 0.250 519 T C 0.557 175.226 174.700 -0.052 0.000 1.100 519 T CA 0.673 62.740 62.100 -0.054 0.000 1.038 519 T CB -0.070 68.784 68.868 -0.023 0.000 0.962 519 T HN 0.251 nan 8.240 nan 0.000 0.516 520 D N 0.841 121.198 120.400 -0.071 0.000 2.896 520 D HA 0.241 4.887 4.640 0.009 0.000 0.240 520 D C 1.152 177.371 176.300 -0.135 0.000 1.193 520 D CA -0.770 53.192 54.000 -0.064 0.000 0.983 520 D CB -0.899 39.876 40.800 -0.042 0.000 1.074 520 D HN 0.307 nan 8.370 nan 0.000 0.496 521 C N 0.626 119.826 119.300 -0.168 0.000 2.376 521 C HA -0.184 4.281 4.460 0.009 0.000 0.275 521 C C 2.512 177.267 174.990 -0.392 0.000 1.200 521 C CA 0.758 59.548 59.018 -0.380 0.000 1.756 521 C CB -0.745 26.723 27.740 -0.454 0.000 2.050 521 C HN 0.595 nan 8.230 nan 0.000 0.460 522 Q N 1.657 121.403 119.800 -0.089 0.000 2.291 522 Q HA -0.099 4.246 4.340 0.009 0.000 0.206 522 Q C 2.179 178.172 176.000 -0.012 0.000 0.976 522 Q CA 2.175 58.023 55.803 0.076 0.000 0.875 522 Q CB -0.711 28.136 28.738 0.182 0.000 0.927 522 Q HN 0.685 nan 8.270 nan 0.000 0.450 523 G N 0.171 108.927 108.800 -0.074 0.000 2.422 523 G HA2 -0.234 3.731 3.960 0.009 0.000 0.218 523 G HA3 -0.234 3.731 3.960 0.009 0.000 0.218 523 G C 1.490 176.336 174.900 -0.091 0.000 1.146 523 G CA 0.994 46.059 45.100 -0.058 0.000 0.769 523 G HN 0.492 nan 8.290 nan 0.000 0.547 524 C N -0.451 118.702 119.300 -0.244 0.000 2.524 524 C HA 0.309 4.774 4.460 0.009 0.000 0.284 524 C C 0.517 175.372 174.990 -0.224 0.000 1.346 524 C CA 0.333 59.180 59.018 -0.284 0.000 1.739 524 C CB -0.612 26.841 27.740 -0.477 0.000 2.119 524 C HN 0.668 nan 8.230 nan 0.000 0.501 525 H N -1.135 117.890 119.070 -0.075 0.000 2.782 525 H HA 0.596 5.158 4.556 0.009 0.000 0.347 525 H C -0.839 174.599 175.328 0.184 0.000 1.038 525 H CA -0.969 55.096 56.048 0.028 0.000 1.255 525 H CB 0.224 29.994 29.762 0.013 0.000 1.623 525 H HN -0.212 nan 8.280 nan 0.000 0.525 526 K N 3.451 124.065 120.400 0.356 0.000 2.295 526 K HA 0.222 4.548 4.320 0.009 0.000 0.270 526 K C -2.456 174.406 176.600 0.437 0.000 1.011 526 K CA -2.272 54.220 56.287 0.341 0.000 0.953 526 K CB 0.262 32.873 32.500 0.186 0.000 0.956 526 K HN 0.533 nan 8.250 nan 0.000 0.477 527 P HA 0.056 nan 4.420 nan 0.000 0.269 527 P C -0.278 176.978 177.300 -0.073 0.000 1.209 527 P CA -0.069 63.019 63.100 -0.019 0.000 0.776 527 P CB 0.520 32.143 31.700 -0.127 0.000 0.876 528 K N 2.288 122.562 120.400 -0.210 0.000 2.295 528 K HA 0.135 4.461 4.320 0.009 0.000 0.270 528 K C 0.105 176.648 176.600 -0.096 0.000 1.011 528 K CA -0.260 55.957 56.287 -0.117 0.000 0.953 528 K CB 0.175 32.585 32.500 -0.151 0.000 0.956 528 K HN 0.382 nan 8.250 nan 0.000 0.477 529 N N 2.595 121.263 118.700 -0.053 0.000 2.602 529 N HA 0.064 4.809 4.740 0.009 0.000 0.238 529 N C -0.054 175.427 175.510 -0.048 0.000 1.084 529 N CA 0.062 53.084 53.050 -0.046 0.000 0.952 529 N CB 0.944 39.416 38.487 -0.025 0.000 1.244 529 N HN 0.690 nan 8.380 nan 0.000 0.512 530 S N 0.000 115.663 115.700 -0.061 0.000 2.498 530 S HA 0.000 4.476 4.470 0.009 0.000 0.327 530 S CA 0.000 58.164 58.200 -0.060 0.000 1.107 530 S CB 0.000 63.157 63.200 -0.072 0.000 0.593 530 S HN 0.000 nan 8.310 nan 0.000 0.517