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 2uz1_1_C DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGAHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELII VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.594 177.584 0.016 0.000 1.274 2 A CA 0.000 52.045 52.037 0.014 0.000 0.836 2 A CB 0.000 19.008 19.000 0.013 0.000 0.831 3 M N 1.953 121.562 119.600 0.014 0.000 2.188 3 M HA 0.452 4.933 4.480 0.000 0.000 0.354 3 M C -0.033 176.279 176.300 0.021 0.000 1.342 3 M CA 0.258 55.567 55.300 0.015 0.000 1.117 3 M CB -0.103 32.503 32.600 0.009 0.000 1.670 3 M HN 0.584 nan 8.290 nan 0.000 0.466 4 I N 0.086 120.671 120.570 0.026 0.000 2.892 4 I HA 0.701 4.872 4.170 0.000 0.000 0.306 4 I C 0.303 176.442 176.117 0.036 0.000 1.078 4 I CA -0.915 60.407 61.300 0.036 0.000 1.032 4 I CB 2.184 40.212 38.000 0.045 0.000 1.229 4 I HN 0.639 nan 8.210 nan 0.000 0.435 5 T N 0.709 115.291 114.554 0.046 0.000 2.828 5 T HA 0.329 4.680 4.350 0.000 0.000 0.290 5 T C 1.280 176.011 174.700 0.051 0.000 1.019 5 T CA -0.058 62.072 62.100 0.049 0.000 1.031 5 T CB 1.264 70.172 68.868 0.066 0.000 1.001 5 T HN 0.931 nan 8.240 nan 0.000 0.531 6 G N 0.608 109.439 108.800 0.052 0.000 2.469 6 G HA2 -0.084 3.876 3.960 0.000 0.000 0.219 6 G HA3 -0.084 3.876 3.960 0.000 0.000 0.219 6 G C 1.560 176.496 174.900 0.060 0.000 1.150 6 G CA 0.666 45.798 45.100 0.054 0.000 0.763 6 G HN 1.040 nan 8.290 nan 0.000 0.561 7 G N 0.506 109.350 108.800 0.074 0.000 2.422 7 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 7 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 7 G C 1.582 176.515 174.900 0.056 0.000 1.146 7 G CA 1.289 46.432 45.100 0.072 0.000 0.769 7 G HN 0.515 nan 8.290 nan 0.000 0.547 8 E N 0.557 120.796 120.200 0.065 0.000 2.077 8 E HA -0.069 4.281 4.350 0.000 0.000 0.193 8 E C 2.466 179.084 176.600 0.029 0.000 0.989 8 E CA 0.772 57.211 56.400 0.064 0.000 0.800 8 E CB -0.460 29.293 29.700 0.087 0.000 0.746 8 E HN 0.436 nan 8.360 nan 0.000 0.452 9 L N -0.415 120.827 121.223 0.032 0.000 2.079 9 L HA -0.195 4.146 4.340 0.000 0.000 0.210 9 L C 2.443 179.318 176.870 0.008 0.000 1.081 9 L CA 0.974 55.828 54.840 0.022 0.000 0.752 9 L CB -0.504 41.576 42.059 0.035 0.000 0.896 9 L HN 0.112 nan 8.230 nan 0.000 0.433 10 V N -0.687 119.236 119.914 0.014 0.000 2.255 10 V HA -0.274 3.846 4.120 0.000 0.000 0.247 10 V C 2.385 178.458 176.094 -0.034 0.000 1.051 10 V CA 1.800 64.103 62.300 0.005 0.000 1.018 10 V CB -0.338 31.494 31.823 0.015 0.000 0.641 10 V HN 0.204 nan 8.190 nan 0.000 0.445 11 V N -0.280 119.598 119.914 -0.060 0.000 2.358 11 V HA -0.213 3.907 4.120 0.000 0.000 0.246 11 V C 2.556 178.524 176.094 -0.210 0.000 1.047 11 V CA 1.868 64.089 62.300 -0.132 0.000 1.035 11 V CB -0.810 30.934 31.823 -0.130 0.000 0.658 11 V HN 0.463 nan 8.190 nan 0.000 0.452 12 R N -0.183 120.200 120.500 -0.195 0.000 2.120 12 R HA -0.138 4.202 4.340 0.000 0.000 0.234 12 R C 2.337 178.574 176.300 -0.105 0.000 1.123 12 R CA 1.892 57.880 56.100 -0.187 0.000 0.975 12 R CB -0.614 29.631 30.300 -0.092 0.000 0.866 12 R HN 0.522 nan 8.270 nan 0.000 0.446 13 T N 1.442 115.958 114.554 -0.063 0.000 2.812 13 T HA -0.017 4.333 4.350 0.000 0.000 0.264 13 T C 1.926 176.604 174.700 -0.037 0.000 1.042 13 T CA 0.780 62.862 62.100 -0.031 0.000 1.140 13 T CB -0.097 68.771 68.868 -0.001 0.000 0.870 13 T HN 0.107 nan 8.240 nan 0.000 0.445 14 L N 0.425 121.618 121.223 -0.051 0.000 2.012 14 L HA -0.088 4.252 4.340 0.000 0.000 0.210 14 L C 2.483 179.316 176.870 -0.062 0.000 1.073 14 L CA 1.347 56.157 54.840 -0.050 0.000 0.748 14 L CB -0.660 41.358 42.059 -0.068 0.000 0.891 14 L HN 0.258 nan 8.230 nan 0.000 0.431 15 I N -0.115 120.396 120.570 -0.099 0.000 2.163 15 I HA -0.338 3.833 4.170 0.000 0.000 0.243 15 I C 2.678 178.762 176.117 -0.055 0.000 1.085 15 I CA 1.475 62.718 61.300 -0.095 0.000 1.347 15 I CB -0.279 37.630 38.000 -0.153 0.000 1.044 15 I HN 0.205 nan 8.210 nan 0.000 0.408 16 K N 1.031 121.401 120.400 -0.050 0.000 2.147 16 K HA -0.147 4.173 4.320 0.000 0.000 0.205 16 K C 2.094 178.683 176.600 -0.017 0.000 1.049 16 K CA 1.340 57.611 56.287 -0.027 0.000 0.936 16 K CB -0.103 32.385 32.500 -0.022 0.000 0.722 16 K HN 0.324 nan 8.250 nan 0.000 0.446 17 A N -0.239 122.572 122.820 -0.016 0.000 2.067 17 A HA 0.076 4.396 4.320 0.000 0.000 0.219 17 A C 1.504 179.087 177.584 -0.001 0.000 1.158 17 A CA 1.373 53.407 52.037 -0.005 0.000 0.661 17 A CB -0.439 18.562 19.000 0.002 0.000 0.801 17 A HN 0.548 nan 8.150 nan 0.000 0.452 18 G N -2.312 106.484 108.800 -0.006 0.000 2.154 18 G HA2 -0.122 3.838 3.960 0.000 0.000 0.186 18 G HA3 -0.122 3.838 3.960 0.000 0.000 0.186 18 G C 0.063 174.972 174.900 0.016 0.000 1.000 18 G CA -0.097 45.005 45.100 0.003 0.000 0.664 18 G HN 0.732 nan 8.290 nan 0.000 0.513 19 V N 0.801 120.717 119.914 0.004 0.000 2.585 19 V HA 0.296 4.417 4.120 0.000 0.000 0.296 19 V C 1.211 177.281 176.094 -0.041 0.000 1.035 19 V CA 1.110 63.416 62.300 0.010 0.000 1.084 19 V CB 1.323 33.135 31.823 -0.019 0.000 0.953 19 V HN 0.487 nan 8.190 nan 0.000 0.483 20 E N 2.299 122.480 120.200 -0.032 0.000 2.514 20 E HA 0.216 4.566 4.350 0.000 0.000 0.215 20 E C -0.600 175.640 176.600 -0.599 0.000 0.946 20 E CA 0.003 56.263 56.400 -0.234 0.000 1.038 20 E CB 0.739 30.340 29.700 -0.165 0.000 1.069 20 E HN 0.878 nan 8.360 nan 0.000 0.503 21 H N -0.771 118.196 119.070 -0.173 0.000 2.996 21 H HA 0.454 5.011 4.556 0.000 0.000 0.368 21 H C -1.308 173.716 175.328 -0.507 0.000 1.185 21 H CA -0.658 55.145 56.048 -0.410 0.000 1.160 21 H CB 1.499 30.899 29.762 -0.603 0.000 1.820 21 H HN -0.156 nan 8.280 nan 0.000 0.547 22 L N 1.583 122.530 121.223 -0.460 0.000 2.323 22 L HA 0.563 4.903 4.340 0.000 0.000 0.265 22 L C -1.160 175.320 176.870 -0.650 0.000 1.012 22 L CA -0.421 54.173 54.840 -0.410 0.000 0.820 22 L CB 1.241 43.123 42.059 -0.296 0.000 1.334 22 L HN 0.492 nan 8.230 nan 0.000 0.427 23 F N -0.038 119.798 119.950 -0.191 0.000 2.520 23 F HA 0.842 5.369 4.527 0.000 0.000 0.322 23 F C 0.631 176.383 175.800 -0.081 0.000 1.103 23 F CA -0.413 57.511 58.000 -0.126 0.000 0.926 23 F CB 2.224 41.146 39.000 -0.129 0.000 1.154 23 F HN 0.503 nan 8.300 nan 0.000 0.453 24 G N 1.720 110.596 108.800 0.126 0.000 2.490 24 G HA2 0.577 4.538 3.960 0.000 0.000 0.308 24 G HA3 0.577 4.538 3.960 0.000 0.000 0.308 24 G C -2.542 172.480 174.900 0.204 0.000 1.286 24 G CA -0.777 44.407 45.100 0.139 0.000 0.825 24 G HN 0.698 nan 8.290 nan 0.000 0.479 25 L N -0.005 121.365 121.223 0.245 0.000 2.493 25 L HA 0.576 4.916 4.340 0.000 0.000 0.265 25 L C -0.558 176.427 176.870 0.191 0.000 0.954 25 L CA -0.983 53.983 54.840 0.209 0.000 0.844 25 L CB 2.254 44.372 42.059 0.099 0.000 1.302 25 L HN 0.900 nan 8.230 nan 0.000 0.405 26 H N 2.644 121.691 119.070 -0.038 0.000 2.815 26 H HA 0.560 5.116 4.556 0.001 0.000 0.350 26 H C -0.151 175.029 175.328 -0.247 0.000 1.080 26 H CA 1.177 56.965 56.048 -0.434 0.000 1.433 26 H CB 1.122 30.455 29.762 -0.715 0.000 1.432 26 H HN 0.721 nan 8.280 nan 0.000 0.592 27 G N 1.710 109.951 108.800 -0.931 0.000 2.718 27 G HA2 0.468 4.428 3.960 0.000 0.000 0.295 27 G HA3 0.468 4.428 3.960 0.000 0.000 0.295 27 G C 0.285 174.738 174.900 -0.744 0.000 1.421 27 G CA -0.277 44.474 45.100 -0.581 0.000 0.902 27 G HN 0.856 nan 8.290 nan 0.000 0.501 28 A N 0.308 122.916 122.820 -0.354 0.000 1.948 28 A HA -0.113 4.207 4.320 0.000 0.000 0.220 28 A C 1.914 179.135 177.584 -0.603 0.000 1.177 28 A CA 2.361 54.239 52.037 -0.264 0.000 0.636 28 A CB -0.827 18.126 19.000 -0.078 0.000 0.815 28 A HN 0.790 nan 8.150 nan 0.000 0.449 29 H N -0.129 118.273 119.070 -1.114 0.000 2.460 29 H HA -0.085 4.472 4.556 0.000 0.000 0.297 29 H C 1.552 176.482 175.328 -0.663 0.000 1.103 29 H CA 1.775 56.926 56.048 -1.495 0.000 1.292 29 H CB -0.204 28.987 29.762 -0.951 0.000 1.376 29 H HN 0.728 nan 8.280 nan 0.000 0.531 30 I N -3.201 117.197 120.570 -0.286 0.000 4.009 30 I HA 0.222 4.392 4.170 0.000 0.000 0.331 30 I C 1.040 177.188 176.117 0.052 0.000 1.462 30 I CA 0.021 61.282 61.300 -0.065 0.000 1.117 30 I CB 0.649 38.652 38.000 0.005 0.000 1.091 30 I HN -0.138 nan 8.210 nan 0.000 0.410 31 D N 2.460 122.841 120.400 -0.032 0.000 2.182 31 D HA -0.227 4.413 4.640 0.000 0.000 0.201 31 D C 2.286 178.731 176.300 0.242 0.000 0.986 31 D CA 2.465 56.552 54.000 0.146 0.000 0.847 31 D CB 0.229 41.136 40.800 0.178 0.000 0.942 31 D HN 0.549 nan 8.370 nan 0.000 0.467 32 T N -1.678 112.988 114.554 0.187 0.000 2.833 32 T HA -0.152 4.198 4.350 0.000 0.000 0.269 32 T C 2.177 176.969 174.700 0.154 0.000 1.054 32 T CA 1.030 63.230 62.100 0.165 0.000 1.135 32 T CB -0.541 68.415 68.868 0.146 0.000 0.869 32 T HN 0.222 nan 8.240 nan 0.000 0.466 33 I N -0.326 120.336 120.570 0.153 0.000 2.286 33 I HA 0.020 4.191 4.170 0.000 0.000 0.245 33 I C 2.239 178.403 176.117 0.079 0.000 1.104 33 I CA 1.082 62.434 61.300 0.086 0.000 1.397 33 I CB -0.431 37.592 38.000 0.037 0.000 1.072 33 I HN 0.084 nan 8.210 nan 0.000 0.417 34 F N 1.113 121.095 119.950 0.053 0.000 2.095 34 F HA -0.276 4.251 4.527 0.000 0.000 0.298 34 F C 2.753 178.596 175.800 0.073 0.000 1.104 34 F CA 1.520 59.568 58.000 0.080 0.000 1.232 34 F CB -0.491 38.609 39.000 0.167 0.000 0.987 34 F HN 0.097 nan 8.300 nan 0.000 0.475 35 Q N -0.196 119.764 119.800 0.268 0.000 2.119 35 Q HA -0.108 4.233 4.340 0.000 0.000 0.201 35 Q C 2.539 178.616 176.000 0.128 0.000 0.972 35 Q CA 1.417 57.322 55.803 0.170 0.000 0.847 35 Q CB -1.012 27.813 28.738 0.144 0.000 0.903 35 Q HN 0.446 nan 8.270 nan 0.000 0.433 36 A N 0.270 123.169 122.820 0.132 0.000 1.898 36 A HA -0.152 4.168 4.320 0.000 0.000 0.216 36 A C 2.546 180.249 177.584 0.199 0.000 1.181 36 A CA 1.306 53.446 52.037 0.171 0.000 0.620 36 A CB -0.912 18.168 19.000 0.133 0.000 0.819 36 A HN 0.447 nan 8.150 nan 0.000 0.442 37 C N -0.849 118.495 119.300 0.073 0.000 2.429 37 C HA -0.077 4.383 4.460 0.000 0.000 0.277 37 C C 2.519 177.534 174.990 0.042 0.000 1.262 37 C CA 0.948 59.976 59.018 0.016 0.000 1.733 37 C CB -1.426 26.243 27.740 -0.118 0.000 2.010 37 C HN 0.664 nan 8.230 nan 0.000 0.483 38 L N 0.871 122.127 121.223 0.055 0.000 1.989 38 L HA -0.195 4.145 4.340 0.000 0.000 0.211 38 L C 2.271 179.154 176.870 0.021 0.000 1.071 38 L CA 2.060 56.927 54.840 0.046 0.000 0.749 38 L CB -0.749 41.352 42.059 0.070 0.000 0.890 38 L HN 0.340 nan 8.230 nan 0.000 0.431 39 D N -0.994 119.414 120.400 0.014 0.000 2.117 39 D HA -0.202 4.438 4.640 0.000 0.000 0.197 39 D C 1.777 177.977 176.300 -0.167 0.000 0.987 39 D CA 1.463 55.410 54.000 -0.089 0.000 0.829 39 D CB -0.225 40.490 40.800 -0.141 0.000 0.961 39 D HN 0.489 nan 8.370 nan 0.000 0.460 40 H N -0.525 118.534 119.070 -0.019 0.000 2.539 40 H HA 0.092 4.648 4.556 0.001 0.000 0.269 40 H C -0.261 175.042 175.328 -0.042 0.000 0.980 40 H CA 0.475 56.506 56.048 -0.029 0.000 1.152 40 H CB 0.334 30.076 29.762 -0.035 0.000 1.407 40 H HN -0.170 nan 8.280 nan 0.000 0.564 41 D N -0.161 120.262 120.400 0.038 0.000 2.708 41 D HA -0.138 4.503 4.640 0.000 0.000 0.236 41 D C -0.396 175.886 176.300 -0.029 0.000 1.146 41 D CA 0.698 54.698 54.000 0.001 0.000 0.662 41 D CB -1.574 39.223 40.800 -0.006 0.000 1.059 41 D HN 0.135 nan 8.370 nan 0.000 0.428 42 V N 0.475 120.367 119.914 -0.037 0.000 2.350 42 V HA 0.447 4.567 4.120 0.000 0.000 0.276 42 V C -1.802 174.204 176.094 -0.147 0.000 1.028 42 V CA -1.581 60.648 62.300 -0.118 0.000 0.860 42 V CB 1.542 33.290 31.823 -0.125 0.000 0.990 42 V HN 0.149 nan 8.190 nan 0.000 0.453 43 P HA 0.315 nan 4.420 nan 0.000 0.271 43 P C -0.566 176.594 177.300 -0.233 0.000 1.220 43 P CA 0.035 63.046 63.100 -0.148 0.000 0.768 43 P CB 0.523 32.176 31.700 -0.078 0.000 0.848 44 I N 4.160 124.590 120.570 -0.234 0.000 2.330 44 I HA 0.230 4.400 4.170 0.000 0.000 0.289 44 I C 0.081 176.070 176.117 -0.213 0.000 1.001 44 I CA -0.849 60.261 61.300 -0.317 0.000 1.193 44 I CB 0.892 38.612 38.000 -0.467 0.000 1.345 44 I HN 0.147 nan 8.210 nan 0.000 0.461 45 I N 6.800 127.177 120.570 -0.322 0.000 2.329 45 I HA 0.022 4.192 4.170 0.000 0.000 0.295 45 I C 0.362 176.480 176.117 0.001 0.000 1.109 45 I CA -0.033 61.168 61.300 -0.165 0.000 1.297 45 I CB -0.098 37.756 38.000 -0.244 0.000 1.433 45 I HN 0.481 nan 8.210 nan 0.000 0.509 46 D N 4.972 125.412 120.400 0.066 0.000 2.249 46 D HA 0.279 4.919 4.640 0.000 0.000 0.246 46 D C 0.106 176.464 176.300 0.097 0.000 1.114 46 D CA -0.461 53.618 54.000 0.132 0.000 0.854 46 D CB 1.528 42.447 40.800 0.198 0.000 1.132 46 D HN 0.458 nan 8.370 nan 0.000 0.461 47 T N -0.175 114.438 114.554 0.097 0.000 2.876 47 T HA 0.389 4.740 4.350 0.000 0.000 0.277 47 T C 0.993 175.711 174.700 0.029 0.000 0.997 47 T CA -0.948 61.184 62.100 0.053 0.000 0.966 47 T CB 1.585 70.492 68.868 0.066 0.000 1.312 47 T HN 0.201 nan 8.240 nan 0.000 0.598 48 R N 0.022 120.518 120.500 -0.008 0.000 2.334 48 R HA 0.266 4.606 4.340 0.000 0.000 0.216 48 R C 0.021 176.355 176.300 0.056 0.000 0.905 48 R CA 0.086 56.183 56.100 -0.006 0.000 1.064 48 R CB -0.655 29.601 30.300 -0.074 0.000 1.046 48 R HN 0.727 nan 8.270 nan 0.000 0.508 49 H N -0.412 118.639 119.070 -0.032 0.000 3.086 49 H HA 0.134 4.691 4.556 0.000 0.000 0.353 49 H C -0.033 175.289 175.328 -0.011 0.000 1.134 49 H CA -0.309 55.727 56.048 -0.019 0.000 1.248 49 H CB 1.581 31.331 29.762 -0.021 0.000 1.878 49 H HN -0.223 nan 8.280 nan 0.000 0.527 50 E N 2.856 123.178 120.200 0.204 0.000 2.160 50 E HA -0.106 4.244 4.350 0.000 0.000 0.195 50 E C 1.914 178.600 176.600 0.143 0.000 0.991 50 E CA 1.647 58.139 56.400 0.154 0.000 0.810 50 E CB 0.150 29.892 29.700 0.069 0.000 0.742 50 E HN 0.616 nan 8.360 nan 0.000 0.466 51 A N 0.992 123.957 122.820 0.242 0.000 1.877 51 A HA -0.117 4.203 4.320 0.000 0.000 0.216 51 A C 2.388 179.878 177.584 -0.156 0.000 1.186 51 A CA 1.846 53.807 52.037 -0.128 0.000 0.620 51 A CB -0.889 17.926 19.000 -0.308 0.000 0.822 51 A HN 0.308 nan 8.150 nan 0.000 0.443 52 A N -0.234 122.569 122.820 -0.028 0.000 1.933 52 A HA 0.153 4.473 4.320 0.000 0.000 0.218 52 A C 2.478 180.069 177.584 0.013 0.000 1.175 52 A CA 2.097 54.144 52.037 0.016 0.000 0.628 52 A CB -0.933 18.049 19.000 -0.029 0.000 0.814 52 A HN 1.041 nan 8.150 nan 0.000 0.444 53 A N -0.470 122.373 122.820 0.039 0.000 1.898 53 A HA 0.155 4.475 4.320 0.000 0.000 0.216 53 A C 2.419 180.001 177.584 -0.003 0.000 1.181 53 A CA 1.873 53.954 52.037 0.075 0.000 0.620 53 A CB -1.377 17.698 19.000 0.124 0.000 0.819 53 A HN 0.697 nan 8.150 nan 0.000 0.442 54 G N -1.136 107.655 108.800 -0.015 0.000 2.421 54 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 54 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 54 G C 1.478 176.334 174.900 -0.075 0.000 1.171 54 G CA 1.124 46.233 45.100 0.015 0.000 0.775 54 G HN 0.640 nan 8.290 nan 0.000 0.543 55 H N 0.874 119.938 119.070 -0.010 0.000 2.421 55 H HA 0.056 4.612 4.556 0.000 0.000 0.298 55 H C 2.893 178.110 175.328 -0.186 0.000 1.087 55 H CA 1.043 57.049 56.048 -0.071 0.000 1.330 55 H CB -0.581 29.141 29.762 -0.067 0.000 1.388 55 H HN 0.389 nan 8.280 nan 0.000 0.526 56 A N 1.253 123.972 122.820 -0.169 0.000 1.902 56 A HA -0.098 4.223 4.320 0.000 0.000 0.217 56 A C 2.727 179.778 177.584 -0.888 0.000 1.181 56 A CA 1.809 53.531 52.037 -0.525 0.000 0.623 56 A CB -0.839 17.801 19.000 -0.600 0.000 0.818 56 A HN 0.430 nan 8.150 nan 0.000 0.443 57 A N -0.225 122.164 122.820 -0.720 0.000 1.902 57 A HA -0.187 4.133 4.320 0.000 0.000 0.217 57 A C 1.904 179.355 177.584 -0.222 0.000 1.181 57 A CA 1.708 53.454 52.037 -0.484 0.000 0.623 57 A CB -0.561 18.256 19.000 -0.304 0.000 0.818 57 A HN 0.650 nan 8.150 nan 0.000 0.443 58 E N -0.755 119.352 120.200 -0.154 0.000 2.058 58 E HA -0.150 4.200 4.350 0.000 0.000 0.194 58 E C 2.159 178.721 176.600 -0.064 0.000 0.997 58 E CA 0.955 57.326 56.400 -0.048 0.000 0.801 58 E CB -0.406 29.316 29.700 0.037 0.000 0.746 58 E HN 0.612 nan 8.360 nan 0.000 0.450 59 G N 0.199 108.932 108.800 -0.112 0.000 2.408 59 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 59 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 59 G C 1.385 176.244 174.900 -0.067 0.000 1.150 59 G CA 0.738 45.774 45.100 -0.107 0.000 0.776 59 G HN 0.276 nan 8.290 nan 0.000 0.542 60 Y N 1.904 122.064 120.300 -0.232 0.000 2.145 60 Y HA -0.037 4.513 4.550 0.000 0.000 0.286 60 Y C 2.940 178.803 175.900 -0.062 0.000 1.145 60 Y CA 1.687 59.711 58.100 -0.126 0.000 1.148 60 Y CB -0.236 38.161 38.460 -0.105 0.000 0.981 60 Y HN 0.247 nan 8.280 nan 0.000 0.507 61 A N 0.428 123.308 122.820 0.101 0.000 1.902 61 A HA -0.183 4.138 4.320 0.000 0.000 0.217 61 A C 2.256 179.811 177.584 -0.048 0.000 1.181 61 A CA 1.884 53.939 52.037 0.030 0.000 0.623 61 A CB -0.564 18.465 19.000 0.049 0.000 0.818 61 A HN 0.546 nan 8.150 nan 0.000 0.443 62 R N -0.731 119.736 120.500 -0.056 0.000 2.062 62 R HA 0.048 4.389 4.340 0.000 0.000 0.229 62 R C 2.508 178.759 176.300 -0.082 0.000 1.128 62 R CA 1.157 57.217 56.100 -0.067 0.000 0.960 62 R CB -0.430 29.823 30.300 -0.077 0.000 0.855 62 R HN 0.474 nan 8.270 nan 0.000 0.432 63 A N 0.400 123.160 122.820 -0.101 0.000 1.969 63 A HA -0.032 4.288 4.320 0.000 0.000 0.218 63 A C 2.146 179.652 177.584 -0.129 0.000 1.169 63 A CA 1.631 53.606 52.037 -0.103 0.000 0.635 63 A CB -0.619 18.319 19.000 -0.103 0.000 0.810 63 A HN 0.470 nan 8.150 nan 0.000 0.445 64 G N -2.166 106.517 108.800 -0.196 0.000 2.939 64 G HA2 0.379 4.340 3.960 0.000 0.000 0.210 64 G HA3 0.379 4.340 3.960 0.000 0.000 0.210 64 G C 0.796 175.606 174.900 -0.151 0.000 1.160 64 G CA 0.573 45.528 45.100 -0.241 0.000 0.770 64 G HN 1.521 nan 8.290 nan 0.000 0.543 65 A N 0.162 122.919 122.820 -0.105 0.000 2.466 65 A HA -0.074 4.246 4.320 0.000 0.000 0.295 65 A C 0.685 178.238 177.584 -0.051 0.000 1.465 65 A CA 1.715 53.714 52.037 -0.063 0.000 0.744 65 A CB -2.008 16.963 19.000 -0.047 0.000 1.098 65 A HN 0.938 nan 8.150 nan 0.000 0.402 66 K N -1.586 118.787 120.400 -0.045 0.000 2.428 66 K HA 0.796 5.116 4.320 0.000 0.000 0.279 66 K C -0.622 176.010 176.600 0.055 0.000 1.041 66 K CA -1.143 55.144 56.287 -0.001 0.000 0.887 66 K CB 0.661 33.153 32.500 -0.014 0.000 1.535 66 K HN 0.715 nan 8.250 nan 0.000 0.417 67 L N 1.379 122.660 121.223 0.096 0.000 2.410 67 L HA 0.377 4.717 4.340 0.000 0.000 0.273 67 L C 0.054 177.051 176.870 0.213 0.000 1.152 67 L CA 0.804 55.713 54.840 0.114 0.000 0.855 67 L CB 0.894 43.007 42.059 0.089 0.000 1.129 67 L HN 0.765 nan 8.230 nan 0.000 0.463 68 G N 4.378 113.267 108.800 0.147 0.000 2.389 68 G HA2 0.578 4.538 3.960 0.000 0.000 0.317 68 G HA3 0.578 4.538 3.960 0.000 0.000 0.317 68 G C -1.449 173.433 174.900 -0.029 0.000 1.137 68 G CA -0.473 44.703 45.100 0.128 0.000 0.870 68 G HN 0.542 nan 8.290 nan 0.000 0.496 69 V N 1.026 120.915 119.914 -0.041 0.000 2.483 69 V HA 0.699 4.819 4.120 0.000 0.000 0.297 69 V C 0.261 176.300 176.094 -0.092 0.000 1.027 69 V CA -0.813 61.429 62.300 -0.097 0.000 0.855 69 V CB 1.168 32.950 31.823 -0.068 0.000 0.995 69 V HN 1.109 nan 8.190 nan 0.000 0.424 70 A N 4.874 127.564 122.820 -0.217 0.000 2.324 70 A HA 0.958 5.278 4.320 0.000 0.000 0.330 70 A C -1.160 176.413 177.584 -0.019 0.000 1.165 70 A CA -0.570 51.392 52.037 -0.124 0.000 0.813 70 A CB 1.458 20.299 19.000 -0.266 0.000 1.197 70 A HN 0.931 nan 8.150 nan 0.000 0.484 71 L N 3.306 124.548 121.223 0.033 0.000 2.404 71 L HA 0.730 5.071 4.340 0.000 0.000 0.272 71 L C -0.758 176.172 176.870 0.100 0.000 0.980 71 L CA -0.374 54.493 54.840 0.045 0.000 0.836 71 L CB 1.856 43.891 42.059 -0.040 0.000 1.238 71 L HN 0.986 nan 8.230 nan 0.000 0.408 72 V N 0.910 120.888 119.914 0.107 0.000 3.078 72 V HA 0.726 4.847 4.120 0.000 0.000 0.311 72 V C -0.162 175.954 176.094 0.038 0.000 1.138 72 V CA -0.364 61.990 62.300 0.091 0.000 1.007 72 V CB 1.581 33.470 31.823 0.109 0.000 1.045 72 V HN 0.767 nan 8.190 nan 0.000 0.432 73 T N 1.409 115.947 114.554 -0.027 0.000 2.810 73 T HA 0.714 5.064 4.350 0.000 0.000 0.277 73 T C 0.579 175.185 174.700 -0.156 0.000 0.973 73 T CA 0.370 62.392 62.100 -0.129 0.000 0.949 73 T CB 1.104 69.847 68.868 -0.208 0.000 1.075 73 T HN 1.798 nan 8.240 nan 0.000 0.537 74 A N 0.565 123.174 122.820 -0.353 0.000 2.466 74 A HA 0.532 4.852 4.320 0.000 0.000 0.238 74 A C 1.466 178.913 177.584 -0.230 0.000 1.074 74 A CA 0.527 52.349 52.037 -0.358 0.000 0.774 74 A CB -1.216 17.338 19.000 -0.743 0.000 1.015 74 A HN 1.822 nan 8.150 nan 0.000 0.498 75 G N 1.308 110.046 108.800 -0.103 0.000 2.595 75 G HA2 -0.138 3.822 3.960 0.000 0.000 0.297 75 G HA3 -0.138 3.822 3.960 0.000 0.000 0.297 75 G C 1.493 176.404 174.900 0.017 0.000 1.181 75 G CA 1.076 46.151 45.100 -0.042 0.000 0.963 75 G HN 1.982 nan 8.290 nan 0.000 0.541 76 G N 0.911 109.688 108.800 -0.038 0.000 2.443 76 G HA2 0.295 4.255 3.960 0.000 0.000 0.219 76 G HA3 0.295 4.255 3.960 0.000 0.000 0.219 76 G C 1.828 176.696 174.900 -0.054 0.000 1.131 76 G CA 1.984 47.057 45.100 -0.044 0.000 0.775 76 G HN 1.703 nan 8.290 nan 0.000 0.547 77 G N 0.879 109.648 108.800 -0.052 0.000 2.459 77 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 77 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 77 G C 1.582 176.485 174.900 0.006 0.000 1.183 77 G CA 1.032 46.112 45.100 -0.032 0.000 0.776 77 G HN 0.362 nan 8.290 nan 0.000 0.552 78 F N 2.749 122.650 119.950 -0.081 0.000 2.069 78 F HA -0.169 4.358 4.527 0.000 0.000 0.298 78 F C 3.065 178.819 175.800 -0.077 0.000 1.113 78 F CA 2.656 60.611 58.000 -0.075 0.000 1.214 78 F CB -0.826 38.118 39.000 -0.094 0.000 0.978 78 F HN 0.241 nan 8.300 nan 0.000 0.474 79 T N -1.533 112.841 114.554 -0.300 0.000 2.833 79 T HA -0.185 4.165 4.350 0.000 0.000 0.269 79 T C 1.699 176.215 174.700 -0.308 0.000 1.054 79 T CA 1.453 63.319 62.100 -0.390 0.000 1.135 79 T CB -0.749 68.056 68.868 -0.106 0.000 0.869 79 T HN 0.268 nan 8.240 nan 0.000 0.466 80 N N 1.961 120.555 118.700 -0.176 0.000 2.520 80 N HA 0.164 4.904 4.740 0.000 0.000 0.185 80 N C 1.654 177.108 175.510 -0.093 0.000 1.068 80 N CA 0.975 53.994 53.050 -0.051 0.000 0.911 80 N CB -0.344 38.147 38.487 0.008 0.000 0.961 80 N HN 0.695 nan 8.380 nan 0.000 0.446 81 A N -0.010 122.660 122.820 -0.250 0.000 2.308 81 A HA 0.107 4.427 4.320 0.000 0.000 0.217 81 A C 2.039 179.365 177.584 -0.430 0.000 1.216 81 A CA 0.092 51.973 52.037 -0.259 0.000 0.864 81 A CB -0.192 18.717 19.000 -0.152 0.000 0.902 81 A HN 0.145 nan 8.150 nan 0.000 0.499 82 V N -2.958 116.671 119.914 -0.475 0.000 2.548 82 V HA -0.118 4.002 4.120 0.000 0.000 0.249 82 V C 2.004 177.932 176.094 -0.277 0.000 1.055 82 V CA 2.555 64.580 62.300 -0.459 0.000 1.065 82 V CB -1.638 29.921 31.823 -0.441 0.000 0.681 82 V HN 0.327 nan 8.190 nan 0.000 0.462 83 T N 1.282 115.723 114.554 -0.189 0.000 2.674 83 T HA -0.036 4.314 4.350 0.000 0.000 0.265 83 T C 0.100 174.786 174.700 -0.024 0.000 1.039 83 T CA 2.291 64.349 62.100 -0.070 0.000 1.150 83 T CB -1.344 67.530 68.868 0.009 0.000 0.864 83 T HN 0.474 nan 8.240 nan 0.000 0.427 84 P HA -0.064 nan 4.420 nan 0.000 0.216 84 P C 1.467 178.783 177.300 0.027 0.000 1.157 84 P CA 1.072 64.114 63.100 -0.096 0.000 0.880 84 P CB -0.221 31.381 31.700 -0.164 0.000 0.791 85 I N -0.876 119.492 120.570 -0.337 0.000 2.179 85 I HA -0.273 3.897 4.170 0.000 0.000 0.242 85 I C 2.362 178.451 176.117 -0.047 0.000 1.088 85 I CA 1.655 62.688 61.300 -0.446 0.000 1.357 85 I CB -0.915 36.658 38.000 -0.711 0.000 1.051 85 I HN -0.082 nan 8.210 nan 0.000 0.409 86 A N 0.566 123.363 122.820 -0.038 0.000 1.902 86 A HA -0.262 4.058 4.320 0.000 0.000 0.217 86 A C 2.192 179.890 177.584 0.190 0.000 1.181 86 A CA 2.066 54.157 52.037 0.090 0.000 0.623 86 A CB -0.992 18.028 19.000 0.033 0.000 0.818 86 A HN 0.526 nan 8.150 nan 0.000 0.443 87 N N 0.074 118.863 118.700 0.148 0.000 2.084 87 N HA -0.154 4.586 4.740 0.000 0.000 0.190 87 N C 1.978 177.576 175.510 0.147 0.000 1.030 87 N CA 1.374 54.511 53.050 0.144 0.000 0.849 87 N CB -0.189 38.399 38.487 0.168 0.000 1.012 87 N HN 0.396 nan 8.380 nan 0.000 0.423 88 A N 1.516 124.457 122.820 0.202 0.000 1.933 88 A HA -0.179 4.141 4.320 0.000 0.000 0.218 88 A C 2.017 179.724 177.584 0.204 0.000 1.175 88 A CA 1.018 53.177 52.037 0.204 0.000 0.628 88 A CB -1.280 17.912 19.000 0.320 0.000 0.814 88 A HN 0.733 nan 8.150 nan 0.000 0.444 89 W N 0.700 122.040 121.300 0.066 0.000 2.332 89 W HA -0.197 4.463 4.660 -0.000 0.000 0.321 89 W C 1.542 178.087 176.519 0.043 0.000 1.219 89 W CA 1.804 59.183 57.345 0.056 0.000 1.277 89 W CB -0.387 29.099 29.460 0.043 0.000 1.161 89 W HN 0.293 nan 8.180 nan 0.000 0.476 90 L N 0.533 121.748 121.223 -0.014 0.000 2.201 90 L HA -0.173 4.167 4.340 0.000 0.000 0.212 90 L C 1.599 178.315 176.870 -0.256 0.000 1.105 90 L CA 1.218 55.968 54.840 -0.150 0.000 0.775 90 L CB -0.791 41.320 42.059 0.087 0.000 0.913 90 L HN -0.160 nan 8.230 nan 0.000 0.440 91 D N 0.149 120.450 120.400 -0.165 0.000 2.340 91 D HA 0.028 4.669 4.640 0.000 0.000 0.220 91 D C 0.288 176.487 176.300 -0.168 0.000 1.039 91 D CA 0.076 53.962 54.000 -0.191 0.000 0.866 91 D CB 0.167 40.907 40.800 -0.099 0.000 0.913 91 D HN 0.047 nan 8.370 nan 0.000 0.523 92 R N -0.162 120.238 120.500 -0.166 0.000 3.267 92 R HA -0.118 4.222 4.340 0.000 0.000 0.254 92 R C -0.681 175.590 176.300 -0.049 0.000 0.993 92 R CA 0.499 56.523 56.100 -0.127 0.000 0.670 92 R CB -2.601 27.606 30.300 -0.154 0.000 1.125 92 R HN 0.032 nan 8.270 nan 0.000 0.434 93 T N 1.907 116.464 114.554 0.006 0.000 2.771 93 T HA 0.362 4.712 4.350 0.000 0.000 0.281 93 T C -2.253 172.491 174.700 0.073 0.000 0.982 93 T CA -1.503 60.615 62.100 0.029 0.000 0.978 93 T CB 1.830 70.719 68.868 0.036 0.000 0.930 93 T HN 0.016 nan 8.240 nan 0.000 0.447 94 P HA 0.338 nan 4.420 nan 0.000 0.274 94 P C -0.981 176.354 177.300 0.058 0.000 1.470 94 P CA -0.295 62.849 63.100 0.073 0.000 1.001 94 P CB 0.248 31.979 31.700 0.052 0.000 1.332 95 V N 5.371 125.327 119.914 0.070 0.000 2.588 95 V HA 0.251 4.371 4.120 0.000 0.000 0.304 95 V C 0.124 176.191 176.094 -0.046 0.000 1.042 95 V CA -0.962 61.290 62.300 -0.080 0.000 0.877 95 V CB 2.249 33.891 31.823 -0.301 0.000 0.996 95 V HN 0.302 nan 8.190 nan 0.000 0.425 96 L N 5.748 126.918 121.223 -0.088 0.000 2.261 96 L HA 0.551 4.891 4.340 0.000 0.000 0.289 96 L C -0.826 175.969 176.870 -0.124 0.000 1.059 96 L CA 0.362 55.203 54.840 0.002 0.000 0.816 96 L CB 0.004 42.084 42.059 0.034 0.000 1.191 96 L HN 0.454 nan 8.230 nan 0.000 0.431 97 F N 6.137 126.130 119.950 0.072 0.000 2.390 97 F HA 0.364 4.891 4.527 0.000 0.000 0.361 97 F C 0.038 175.871 175.800 0.056 0.000 1.124 97 F CA -0.312 57.726 58.000 0.064 0.000 1.149 97 F CB 0.567 39.613 39.000 0.076 0.000 1.160 97 F HN 0.274 nan 8.300 nan 0.000 0.501 98 L N 3.603 124.923 121.223 0.161 0.000 2.265 98 L HA 0.436 4.776 4.340 0.000 0.000 0.288 98 L C 0.294 177.237 176.870 0.122 0.000 1.058 98 L CA -0.250 54.655 54.840 0.108 0.000 0.809 98 L CB 1.381 43.470 42.059 0.051 0.000 1.179 98 L HN 0.520 nan 8.230 nan 0.000 0.429 99 T N 2.205 116.816 114.554 0.095 0.000 2.841 99 T HA 0.601 4.951 4.350 0.000 0.000 0.283 99 T C 0.278 174.982 174.700 0.006 0.000 1.000 99 T CA -0.382 61.764 62.100 0.077 0.000 0.977 99 T CB 1.461 70.406 68.868 0.128 0.000 0.979 99 T HN 0.694 nan 8.240 nan 0.000 0.446 100 G N 2.243 111.034 108.800 -0.015 0.000 2.667 100 G HA2 0.530 4.491 3.960 0.000 0.000 0.250 100 G HA3 0.530 4.491 3.960 0.000 0.000 0.250 100 G C -0.247 174.605 174.900 -0.079 0.000 1.212 100 G CA 0.126 45.201 45.100 -0.041 0.000 0.874 100 G HN 1.266 nan 8.290 nan 0.000 0.561 101 S N -1.668 114.018 115.700 -0.022 0.000 2.636 101 S HA 0.662 5.132 4.470 0.000 0.000 0.268 101 S C 0.070 174.747 174.600 0.129 0.000 1.159 101 S CA -0.215 57.961 58.200 -0.040 0.000 0.815 101 S CB 0.835 63.982 63.200 -0.088 0.000 1.130 101 S HN 1.577 nan 8.310 nan 0.000 0.471 102 G N 0.383 109.243 108.800 0.100 0.000 2.474 102 G HA2 0.475 4.435 3.960 0.000 0.000 0.233 102 G HA3 0.475 4.435 3.960 0.000 0.000 0.233 102 G C 0.498 175.517 174.900 0.198 0.000 1.278 102 G CA -0.109 45.114 45.100 0.205 0.000 0.861 102 G HN 1.447 nan 8.290 nan 0.000 0.567 103 A N 1.745 124.704 122.820 0.232 0.000 2.511 103 A HA 0.292 4.612 4.320 0.000 0.000 0.242 103 A C 1.606 179.225 177.584 0.057 0.000 1.069 103 A CA -0.345 51.769 52.037 0.128 0.000 0.763 103 A CB 0.213 19.238 19.000 0.041 0.000 1.001 103 A HN 0.736 nan 8.150 nan 0.000 0.498 104 L N 2.109 123.351 121.223 0.031 0.000 2.046 104 L HA -0.225 4.115 4.340 0.000 0.000 0.208 104 L C 2.775 179.642 176.870 -0.005 0.000 1.077 104 L CA 2.109 56.952 54.840 0.006 0.000 0.747 104 L CB -0.558 41.499 42.059 -0.004 0.000 0.896 104 L HN 0.985 nan 8.230 nan 0.000 0.432 105 R N -0.482 120.008 120.500 -0.016 0.000 2.189 105 R HA -0.101 4.239 4.340 0.000 0.000 0.223 105 R C 0.338 176.625 176.300 -0.023 0.000 1.092 105 R CA 1.330 57.414 56.100 -0.027 0.000 0.989 105 R CB -0.359 29.913 30.300 -0.045 0.000 0.876 105 R HN 0.292 nan 8.270 nan 0.000 0.457 106 D N 1.023 121.416 120.400 -0.012 0.000 2.463 106 D HA 0.057 4.697 4.640 0.000 0.000 0.224 106 D C -0.713 175.594 176.300 0.012 0.000 1.174 106 D CA -0.225 53.773 54.000 -0.003 0.000 0.829 106 D CB 0.000 40.800 40.800 -0.001 0.000 0.993 106 D HN 0.185 nan 8.370 nan 0.000 0.497 107 D N 1.631 122.035 120.400 0.007 0.000 2.525 107 D HA -0.100 4.540 4.640 0.000 0.000 0.235 107 D C 0.692 176.994 176.300 0.003 0.000 1.137 107 D CA 0.806 54.809 54.000 0.005 0.000 0.868 107 D CB 0.531 41.329 40.800 -0.004 0.000 1.180 107 D HN -0.134 nan 8.370 nan 0.000 0.465 108 E N 1.439 121.641 120.200 0.004 0.000 2.637 108 E HA -0.196 4.154 4.350 0.000 0.000 0.265 108 E C 0.387 176.990 176.600 0.004 0.000 1.073 108 E CA 1.164 57.565 56.400 0.001 0.000 0.778 108 E CB -2.173 27.525 29.700 -0.003 0.000 1.362 108 E HN 0.648 nan 8.360 nan 0.000 0.413 109 T N -3.242 111.318 114.554 0.010 0.000 3.134 109 T HA 0.147 4.497 4.350 0.000 0.000 0.260 109 T C 0.615 175.324 174.700 0.016 0.000 1.027 109 T CA 0.094 62.200 62.100 0.011 0.000 0.913 109 T CB 0.152 69.027 68.868 0.011 0.000 1.046 109 T HN 0.083 nan 8.240 nan 0.000 0.553 110 N N 1.317 120.027 118.700 0.016 0.000 2.721 110 N HA -0.132 4.608 4.740 0.000 0.000 0.249 110 N C -0.045 175.481 175.510 0.028 0.000 1.072 110 N CA 1.243 54.303 53.050 0.018 0.000 0.710 110 N CB -1.650 36.844 38.487 0.012 0.000 0.993 110 N HN 0.647 nan 8.380 nan 0.000 0.547 111 T N -0.394 114.185 114.554 0.042 0.000 2.884 111 T HA 0.503 4.853 4.350 0.000 0.000 0.277 111 T C 0.278 175.025 174.700 0.078 0.000 0.976 111 T CA -0.767 61.371 62.100 0.062 0.000 0.956 111 T CB 0.843 69.757 68.868 0.077 0.000 1.113 111 T HN 0.194 nan 8.240 nan 0.000 0.554 112 L N 2.643 123.931 121.223 0.107 0.000 2.559 112 L HA 0.172 4.512 4.340 0.000 0.000 0.274 112 L C 0.974 177.909 176.870 0.108 0.000 1.205 112 L CA 1.163 56.068 54.840 0.109 0.000 0.907 112 L CB -0.486 41.664 42.059 0.152 0.000 1.153 112 L HN 0.946 nan 8.230 nan 0.000 0.490 113 Q N 1.489 121.304 119.800 0.023 0.000 2.362 113 Q HA -0.260 4.081 4.340 0.000 0.000 0.220 113 Q C 0.110 176.081 176.000 -0.049 0.000 0.713 113 Q CA 1.106 56.871 55.803 -0.063 0.000 1.345 113 Q CB -1.682 26.918 28.738 -0.231 0.000 1.570 113 Q HN 0.908 nan 8.270 nan 0.000 0.701 114 A N -0.835 121.995 122.820 0.017 0.000 2.256 114 A HA 0.740 5.060 4.320 0.000 0.000 0.318 114 A C 1.325 178.908 177.584 -0.002 0.000 1.103 114 A CA 0.549 52.597 52.037 0.020 0.000 0.860 114 A CB 0.952 19.989 19.000 0.062 0.000 1.182 114 A HN 0.842 nan 8.150 nan 0.000 0.501 115 G N -1.067 107.725 108.800 -0.014 0.000 2.176 115 G HA2 -0.145 3.815 3.960 0.000 0.000 0.232 115 G HA3 -0.145 3.815 3.960 0.000 0.000 0.232 115 G C -0.022 174.860 174.900 -0.030 0.000 0.986 115 G CA 0.161 45.249 45.100 -0.019 0.000 0.643 115 G HN 0.666 nan 8.290 nan 0.000 0.522 116 I N 1.886 122.431 120.570 -0.042 0.000 2.325 116 I HA 0.297 4.467 4.170 0.000 0.000 0.291 116 I C -0.090 175.966 176.117 -0.102 0.000 1.019 116 I CA -1.281 59.991 61.300 -0.046 0.000 1.302 116 I CB 1.296 39.289 38.000 -0.010 0.000 1.401 116 I HN 0.028 nan 8.210 nan 0.000 0.485 117 D N 6.379 126.723 120.400 -0.093 0.000 2.498 117 D HA 0.075 4.715 4.640 0.000 0.000 0.229 117 D C 1.123 177.299 176.300 -0.206 0.000 1.188 117 D CA 0.109 54.028 54.000 -0.135 0.000 1.028 117 D CB 0.540 41.284 40.800 -0.093 0.000 1.087 117 D HN 0.470 nan 8.370 nan 0.000 0.510 118 Q N 1.143 120.715 119.800 -0.381 0.000 2.079 118 Q HA -0.090 4.251 4.340 0.000 0.000 0.200 118 Q C 2.046 177.674 176.000 -0.620 0.000 0.974 118 Q CA 0.935 56.246 55.803 -0.820 0.000 0.840 118 Q CB 0.296 28.258 28.738 -1.294 0.000 0.898 118 Q HN 0.352 nan 8.270 nan 0.000 0.430 119 V N 1.250 120.912 119.914 -0.421 0.000 2.287 119 V HA -0.305 3.815 4.120 0.000 0.000 0.248 119 V C 2.328 178.308 176.094 -0.191 0.000 1.053 119 V CA 1.899 64.022 62.300 -0.296 0.000 1.027 119 V CB -1.047 30.605 31.823 -0.284 0.000 0.646 119 V HN 0.411 nan 8.190 nan 0.000 0.447 120 A N -0.547 122.180 122.820 -0.156 0.000 1.908 120 A HA -0.261 4.060 4.320 0.000 0.000 0.218 120 A C 2.244 179.787 177.584 -0.069 0.000 1.181 120 A CA 2.342 54.320 52.037 -0.098 0.000 0.627 120 A CB -0.511 18.442 19.000 -0.078 0.000 0.818 120 A HN 0.513 nan 8.150 nan 0.000 0.445 121 M N -0.786 118.792 119.600 -0.037 0.000 2.159 121 M HA -0.131 4.349 4.480 0.000 0.000 0.263 121 M C 2.354 178.679 176.300 0.042 0.000 1.063 121 M CA 1.463 56.791 55.300 0.048 0.000 1.110 121 M CB -0.295 32.432 32.600 0.212 0.000 1.374 121 M HN 0.486 nan 8.290 nan 0.000 0.411 122 A N -0.108 122.737 122.820 0.043 0.000 2.081 122 A HA 0.268 4.588 4.320 0.000 0.000 0.214 122 A C 2.324 179.821 177.584 -0.146 0.000 1.158 122 A CA 1.004 53.030 52.037 -0.019 0.000 0.724 122 A CB -0.574 18.447 19.000 0.035 0.000 0.826 122 A HN 0.429 nan 8.150 nan 0.000 0.463 123 A N 1.214 123.952 122.820 -0.137 0.000 1.903 123 A HA -0.126 4.195 4.320 0.000 0.000 0.219 123 A C 0.080 177.519 177.584 -0.241 0.000 1.191 123 A CA 2.103 54.047 52.037 -0.154 0.000 0.638 123 A CB -1.689 17.250 19.000 -0.102 0.000 0.823 123 A HN 0.475 nan 8.150 nan 0.000 0.451 124 P HA 0.041 nan 4.420 nan 0.000 0.237 124 P C 0.663 177.548 177.300 -0.691 0.000 1.178 124 P CA 0.768 63.673 63.100 -0.326 0.000 0.766 124 P CB -0.141 31.442 31.700 -0.194 0.000 0.876 125 I N -4.495 115.613 120.570 -0.770 0.000 3.621 125 I HA 0.352 4.522 4.170 0.000 0.000 0.325 125 I C -0.521 175.091 176.117 -0.842 0.000 1.554 125 I CA -0.528 60.086 61.300 -1.144 0.000 1.053 125 I CB 0.256 37.963 38.000 -0.489 0.000 1.302 125 I HN -0.259 nan 8.210 nan 0.000 0.518 126 T N -3.395 110.706 114.554 -0.755 0.000 2.896 126 T HA 0.461 4.811 4.350 0.000 0.000 0.297 126 T C 0.405 175.107 174.700 0.004 0.000 1.108 126 T CA -0.814 61.187 62.100 -0.165 0.000 1.004 126 T CB 2.627 71.471 68.868 -0.039 0.000 1.159 126 T HN 0.086 nan 8.240 nan 0.000 0.499 127 K N -0.521 120.114 120.400 0.393 0.000 2.148 127 K HA 0.065 4.385 4.320 0.000 0.000 0.204 127 K C -0.189 176.635 176.600 0.373 0.000 1.050 127 K CA 0.975 57.515 56.287 0.422 0.000 0.942 127 K CB 0.108 32.831 32.500 0.372 0.000 0.724 127 K HN 0.633 nan 8.250 nan 0.000 0.446 128 W N -0.606 120.756 121.300 0.103 0.000 3.479 128 W HA 0.463 5.123 4.660 0.000 0.000 0.304 128 W C -2.139 174.424 176.519 0.073 0.000 1.243 128 W CA -0.930 56.459 57.345 0.074 0.000 1.202 128 W CB 1.347 30.850 29.460 0.072 0.000 1.346 128 W HN -0.136 nan 8.180 nan 0.000 0.539 129 A N 4.020 126.590 122.820 -0.416 0.000 2.427 129 A HA 0.731 5.052 4.320 0.000 0.000 0.298 129 A C -2.193 174.977 177.584 -0.690 0.000 1.036 129 A CA -0.454 51.297 52.037 -0.477 0.000 0.701 129 A CB 1.640 20.497 19.000 -0.239 0.000 1.250 129 A HN 0.847 nan 8.150 nan 0.000 0.412 130 H N 0.301 118.887 119.070 -0.807 0.000 3.085 130 H HA 0.557 5.113 4.556 0.000 0.000 0.356 130 H C -0.872 174.218 175.328 -0.396 0.000 1.178 130 H CA -0.355 55.282 56.048 -0.685 0.000 1.214 130 H CB 1.289 30.395 29.762 -1.093 0.000 1.881 130 H HN 0.763 nan 8.280 nan 0.000 0.538 131 R N 4.190 124.265 120.500 -0.709 0.000 2.255 131 R HA 0.483 4.823 4.340 0.000 0.000 0.326 131 R C -1.038 175.097 176.300 -0.275 0.000 0.986 131 R CA -0.756 55.106 56.100 -0.396 0.000 0.847 131 R CB 0.823 30.925 30.300 -0.329 0.000 1.111 131 R HN 0.391 nan 8.270 nan 0.000 0.452 132 V N 6.585 126.473 119.914 -0.044 0.000 2.521 132 V HA 0.006 4.126 4.120 0.000 0.000 0.286 132 V C 1.171 177.302 176.094 0.061 0.000 1.034 132 V CA 0.185 62.547 62.300 0.103 0.000 1.045 132 V CB 1.387 33.279 31.823 0.116 0.000 0.974 132 V HN 0.884 nan 8.190 nan 0.000 0.480 133 M N 3.407 123.085 119.600 0.129 0.000 2.414 133 M HA 0.376 4.856 4.480 0.000 0.000 0.251 133 M C 0.476 176.744 176.300 -0.053 0.000 1.116 133 M CA 0.439 55.774 55.300 0.058 0.000 1.056 133 M CB 0.333 33.009 32.600 0.127 0.000 1.388 133 M HN 0.740 nan 8.290 nan 0.000 0.487 134 A N -0.607 122.107 122.820 -0.176 0.000 2.517 134 A HA 0.539 4.859 4.320 0.000 0.000 0.297 134 A C 0.755 178.199 177.584 -0.233 0.000 1.050 134 A CA -0.465 51.364 52.037 -0.347 0.000 0.694 134 A CB 0.583 19.100 19.000 -0.805 0.000 1.277 134 A HN 0.154 nan 8.150 nan 0.000 0.400 135 T N 0.929 115.410 114.554 -0.122 0.000 2.759 135 T HA -0.141 4.209 4.350 0.000 0.000 0.269 135 T C 1.421 176.106 174.700 -0.025 0.000 1.042 135 T CA 2.455 64.530 62.100 -0.042 0.000 1.140 135 T CB -0.160 68.695 68.868 -0.022 0.000 0.864 135 T HN 0.772 nan 8.240 nan 0.000 0.455 136 E N 0.435 120.595 120.200 -0.066 0.000 2.331 136 E HA -0.099 4.251 4.350 0.000 0.000 0.199 136 E C 1.626 178.310 176.600 0.139 0.000 1.008 136 E CA 0.888 57.298 56.400 0.018 0.000 0.843 136 E CB -0.313 29.397 29.700 0.017 0.000 0.761 136 E HN 0.721 nan 8.360 nan 0.000 0.507 137 H N -1.008 118.093 119.070 0.053 0.000 2.548 137 H HA 0.163 4.719 4.556 0.001 0.000 0.265 137 H C 1.613 176.984 175.328 0.073 0.000 0.969 137 H CA -0.221 55.866 56.048 0.066 0.000 1.155 137 H CB 0.260 30.075 29.762 0.088 0.000 1.394 137 H HN 0.120 nan 8.280 nan 0.000 0.570 138 I N 1.328 122.000 120.570 0.169 0.000 2.127 138 I HA -0.190 3.980 4.170 0.000 0.000 0.241 138 I C -0.630 175.551 176.117 0.106 0.000 1.075 138 I CA 1.165 62.541 61.300 0.125 0.000 1.334 138 I CB -0.917 37.134 38.000 0.084 0.000 1.040 138 I HN 0.190 nan 8.210 nan 0.000 0.405 139 P HA -0.198 nan 4.420 nan 0.000 0.215 139 P C 1.294 178.632 177.300 0.063 0.000 1.157 139 P CA 1.608 64.744 63.100 0.060 0.000 0.868 139 P CB -0.222 31.505 31.700 0.046 0.000 0.788 140 R N -0.128 120.413 120.500 0.068 0.000 2.115 140 R HA -0.035 4.305 4.340 0.000 0.000 0.230 140 R C 1.994 178.330 176.300 0.060 0.000 1.111 140 R CA 1.385 57.511 56.100 0.044 0.000 0.976 140 R CB -1.436 28.876 30.300 0.020 0.000 0.870 140 R HN 0.203 nan 8.270 nan 0.000 0.445 141 L N 0.874 122.168 121.223 0.118 0.000 2.162 141 L HA -0.012 4.328 4.340 0.000 0.000 0.205 141 L C 2.487 179.493 176.870 0.226 0.000 1.086 141 L CA 0.330 55.291 54.840 0.203 0.000 0.778 141 L CB -0.247 41.978 42.059 0.277 0.000 0.928 141 L HN 0.006 nan 8.230 nan 0.000 0.446 142 V N -0.134 119.873 119.914 0.156 0.000 2.287 142 V HA -0.345 3.775 4.120 0.000 0.000 0.248 142 V C 2.516 178.675 176.094 0.108 0.000 1.053 142 V CA 2.033 64.410 62.300 0.128 0.000 1.027 142 V CB -0.390 31.481 31.823 0.080 0.000 0.646 142 V HN 0.374 nan 8.190 nan 0.000 0.447 143 M N -0.421 119.222 119.600 0.071 0.000 2.175 143 M HA -0.168 4.312 4.480 0.000 0.000 0.264 143 M C 2.176 178.493 176.300 0.029 0.000 1.063 143 M CA 1.748 57.072 55.300 0.040 0.000 1.119 143 M CB -0.709 31.901 32.600 0.017 0.000 1.377 143 M HN 0.378 nan 8.290 nan 0.000 0.415 144 Q N -0.831 118.981 119.800 0.019 0.000 2.084 144 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 144 Q C 1.903 177.892 176.000 -0.020 0.000 0.978 144 Q CA 1.894 57.653 55.803 -0.072 0.000 0.844 144 Q CB -0.196 28.436 28.738 -0.175 0.000 0.898 144 Q HN 0.607 nan 8.270 nan 0.000 0.426 145 A N 0.689 123.629 122.820 0.199 0.000 1.902 145 A HA -0.185 4.135 4.320 0.000 0.000 0.217 145 A C 1.979 179.680 177.584 0.195 0.000 1.181 145 A CA 1.402 53.650 52.037 0.352 0.000 0.623 145 A CB -0.681 18.558 19.000 0.398 0.000 0.818 145 A HN 0.481 nan 8.150 nan 0.000 0.443 146 I N -0.896 119.748 120.570 0.123 0.000 2.179 146 I HA -0.276 3.894 4.170 0.000 0.000 0.242 146 I C 2.777 178.927 176.117 0.054 0.000 1.088 146 I CA 1.378 62.726 61.300 0.080 0.000 1.357 146 I CB -0.348 37.685 38.000 0.055 0.000 1.051 146 I HN 0.300 nan 8.210 nan 0.000 0.409 147 R N 0.701 121.216 120.500 0.025 0.000 2.105 147 R HA -0.157 4.183 4.340 0.000 0.000 0.239 147 R C 2.428 178.730 176.300 0.003 0.000 1.135 147 R CA 1.502 57.599 56.100 -0.004 0.000 0.967 147 R CB -0.502 29.774 30.300 -0.040 0.000 0.861 147 R HN 0.383 nan 8.270 nan 0.000 0.442 148 A N 1.277 124.106 122.820 0.015 0.000 1.902 148 A HA -0.094 4.227 4.320 0.000 0.000 0.217 148 A C 2.372 180.017 177.584 0.102 0.000 1.181 148 A CA 1.663 53.729 52.037 0.048 0.000 0.623 148 A CB -0.538 18.512 19.000 0.084 0.000 0.818 148 A HN 0.393 nan 8.150 nan 0.000 0.443 149 A N -0.583 122.312 122.820 0.124 0.000 1.930 149 A HA 0.082 4.402 4.320 0.000 0.000 0.217 149 A C 2.053 179.685 177.584 0.081 0.000 1.175 149 A CA 1.346 53.460 52.037 0.128 0.000 0.627 149 A CB -0.437 18.642 19.000 0.132 0.000 0.815 149 A HN 0.452 nan 8.150 nan 0.000 0.443 150 L N 0.522 121.778 121.223 0.055 0.000 2.446 150 L HA 0.032 4.372 4.340 0.000 0.000 0.219 150 L C 1.264 178.144 176.870 0.017 0.000 1.116 150 L CA 0.334 55.193 54.840 0.031 0.000 0.844 150 L CB -0.239 41.832 42.059 0.019 0.000 0.970 150 L HN 0.470 nan 8.230 nan 0.000 0.457 151 S N 0.242 115.953 115.700 0.019 0.000 2.617 151 S HA 0.568 5.038 4.470 0.000 0.000 0.269 151 S C 0.152 174.758 174.600 0.010 0.000 1.292 151 S CA -0.746 57.458 58.200 0.007 0.000 1.010 151 S CB 1.726 64.926 63.200 0.001 0.000 0.944 151 S HN 0.119 nan 8.310 nan 0.000 0.536 152 A N 2.620 125.441 122.820 0.001 0.000 2.401 152 A HA 0.610 4.930 4.320 0.000 0.000 0.259 152 A C -2.160 175.423 177.584 -0.002 0.000 1.103 152 A CA -1.628 50.407 52.037 -0.004 0.000 0.789 152 A CB -0.548 18.447 19.000 -0.008 0.000 1.035 152 A HN 0.752 nan 8.150 nan 0.000 0.491 153 P HA 0.335 nan 4.420 nan 0.000 0.280 153 P C -0.490 176.799 177.300 -0.018 0.000 1.244 153 P CA -0.463 62.618 63.100 -0.032 0.000 0.784 153 P CB 0.653 32.313 31.700 -0.066 0.000 0.913 154 R N 1.114 121.605 120.500 -0.015 0.000 2.756 154 R HA 0.566 4.906 4.340 0.000 0.000 0.264 154 R C 1.082 177.397 176.300 0.026 0.000 1.026 154 R CA 0.994 57.102 56.100 0.013 0.000 1.121 154 R CB -0.374 29.931 30.300 0.007 0.000 0.999 154 R HN 0.850 nan 8.270 nan 0.000 0.449 155 G N 1.117 109.973 108.800 0.093 0.000 2.506 155 G HA2 0.385 4.346 3.960 0.000 0.000 0.292 155 G HA3 0.385 4.346 3.960 0.000 0.000 0.292 155 G C -3.040 172.011 174.900 0.251 0.000 1.425 155 G CA -1.045 44.155 45.100 0.165 0.000 0.788 155 G HN 0.435 nan 8.290 nan 0.000 0.490 156 P HA 0.527 nan 4.420 nan 0.000 0.278 156 P C -0.671 176.853 177.300 0.372 0.000 1.238 156 P CA -0.322 63.025 63.100 0.413 0.000 0.794 156 P CB 2.026 34.028 31.700 0.503 0.000 0.955 157 V N 3.573 123.711 119.914 0.374 0.000 2.735 157 V HA 0.372 4.492 4.120 0.000 0.000 0.310 157 V C -0.098 176.171 176.094 0.291 0.000 1.061 157 V CA -0.836 61.650 62.300 0.310 0.000 0.913 157 V CB 2.091 34.112 31.823 0.330 0.000 1.005 157 V HN 0.417 nan 8.190 nan 0.000 0.428 158 L N 4.727 126.030 121.223 0.133 0.000 2.305 158 L HA 0.710 5.050 4.340 0.000 0.000 0.284 158 L C -1.105 175.729 176.870 -0.061 0.000 1.013 158 L CA -0.259 54.631 54.840 0.084 0.000 0.819 158 L CB 1.381 43.449 42.059 0.013 0.000 1.227 158 L HN 0.625 nan 8.230 nan 0.000 0.417 159 L N 5.306 126.531 121.223 0.003 0.000 2.316 159 L HA 0.507 4.847 4.340 0.000 0.000 0.280 159 L C -0.893 175.950 176.870 -0.046 0.000 1.006 159 L CA -0.037 54.770 54.840 -0.055 0.000 0.836 159 L CB 1.197 43.275 42.059 0.032 0.000 1.221 159 L HN 0.615 nan 8.230 nan 0.000 0.418 160 D N 5.564 125.894 120.400 -0.117 0.000 2.274 160 D HA 0.304 4.944 4.640 0.000 0.000 0.239 160 D C -1.159 175.100 176.300 -0.069 0.000 1.104 160 D CA -0.168 53.757 54.000 -0.125 0.000 0.840 160 D CB 1.084 41.747 40.800 -0.228 0.000 1.100 160 D HN 0.504 nan 8.370 nan 0.000 0.477 161 L N 6.068 127.276 121.223 -0.025 0.000 2.366 161 L HA 0.337 4.678 4.340 0.000 0.000 0.266 161 L C -2.241 174.658 176.870 0.049 0.000 1.010 161 L CA -1.808 53.044 54.840 0.020 0.000 0.879 161 L CB 1.908 43.992 42.059 0.042 0.000 1.228 161 L HN 0.175 nan 8.230 nan 0.000 0.439 162 P HA -0.117 nan 4.420 nan 0.000 0.267 162 P C 0.079 177.506 177.300 0.211 0.000 1.200 162 P CA -0.104 63.061 63.100 0.110 0.000 0.772 162 P CB 0.627 32.367 31.700 0.067 0.000 0.855 163 W N 3.855 125.185 121.300 0.050 0.000 2.335 163 W HA -0.200 4.460 4.660 0.000 0.000 0.311 163 W C 1.466 177.969 176.519 -0.025 0.000 1.213 163 W CA 2.469 59.818 57.345 0.006 0.000 1.274 163 W CB -1.062 28.348 29.460 -0.083 0.000 1.148 163 W HN 0.458 nan 8.180 nan 0.000 0.498 164 D N -0.272 120.204 120.400 0.127 0.000 2.144 164 D HA -0.219 4.421 4.640 0.000 0.000 0.199 164 D C 2.030 178.345 176.300 0.024 0.000 0.984 164 D CA 1.478 55.466 54.000 -0.020 0.000 0.834 164 D CB -1.150 39.613 40.800 -0.062 0.000 0.955 164 D HN 0.113 nan 8.370 nan 0.000 0.465 165 I N 0.502 121.107 120.570 0.057 0.000 2.286 165 I HA -0.149 4.022 4.170 0.000 0.000 0.248 165 I C 2.510 178.665 176.117 0.064 0.000 1.115 165 I CA 0.680 62.005 61.300 0.042 0.000 1.392 165 I CB -0.676 37.348 38.000 0.040 0.000 1.065 165 I HN 0.111 nan 8.210 nan 0.000 0.418 166 L N -0.852 120.441 121.223 0.117 0.000 2.162 166 L HA -0.081 4.260 4.340 0.000 0.000 0.205 166 L C 2.519 179.464 176.870 0.125 0.000 1.086 166 L CA 0.903 55.820 54.840 0.130 0.000 0.778 166 L CB -0.264 41.898 42.059 0.172 0.000 0.928 166 L HN 0.156 nan 8.230 nan 0.000 0.446 167 M N -0.957 118.720 119.600 0.128 0.000 2.447 167 M HA -0.071 4.409 4.480 0.000 0.000 0.264 167 M C 0.928 177.237 176.300 0.016 0.000 1.095 167 M CA 0.342 55.683 55.300 0.068 0.000 1.125 167 M CB -0.367 32.222 32.600 -0.019 0.000 1.389 167 M HN 0.272 nan 8.290 nan 0.000 0.459 168 N N 2.076 120.778 118.700 0.004 0.000 2.356 168 N HA -0.062 4.678 4.740 0.000 0.000 0.252 168 N C -0.853 174.660 175.510 0.004 0.000 1.241 168 N CA 0.507 53.551 53.050 -0.010 0.000 0.861 168 N CB 0.623 39.102 38.487 -0.014 0.000 1.075 168 N HN 0.323 nan 8.380 nan 0.000 0.461 169 Q N 2.866 122.665 119.800 -0.002 0.000 2.282 169 Q HA 0.522 4.863 4.340 0.000 0.000 0.260 169 Q C -0.334 175.668 176.000 0.003 0.000 0.964 169 Q CA -0.600 55.207 55.803 0.007 0.000 0.880 169 Q CB 2.012 30.753 28.738 0.007 0.000 1.286 169 Q HN 0.603 nan 8.270 nan 0.000 0.445 170 I N -2.920 117.656 120.570 0.009 0.000 2.934 170 I HA 0.438 4.608 4.170 0.000 0.000 0.306 170 I C -0.651 175.473 176.117 0.013 0.000 1.110 170 I CA -1.031 60.274 61.300 0.008 0.000 1.019 170 I CB 2.245 40.248 38.000 0.006 0.000 1.227 170 I HN 0.348 nan 8.210 nan 0.000 0.434 171 D N 2.724 123.130 120.400 0.011 0.000 2.472 171 D HA -0.005 4.635 4.640 0.000 0.000 0.248 171 D C 1.334 177.645 176.300 0.018 0.000 1.174 171 D CA 0.669 54.677 54.000 0.014 0.000 0.883 171 D CB 0.892 41.699 40.800 0.012 0.000 1.149 171 D HN 0.877 nan 8.370 nan 0.000 0.488 172 E N 1.664 121.877 120.200 0.021 0.000 2.265 172 E HA -0.237 4.114 4.350 0.000 0.000 0.196 172 E C 0.746 177.360 176.600 0.024 0.000 0.996 172 E CA 1.184 57.599 56.400 0.025 0.000 0.832 172 E CB 0.040 29.758 29.700 0.030 0.000 0.756 172 E HN 0.531 nan 8.360 nan 0.000 0.491 173 D N 1.070 121.482 120.400 0.020 0.000 2.340 173 D HA -0.025 4.615 4.640 0.000 0.000 0.220 173 D C 1.543 177.854 176.300 0.019 0.000 1.039 173 D CA 0.849 54.860 54.000 0.018 0.000 0.866 173 D CB 0.466 41.275 40.800 0.015 0.000 0.913 173 D HN 0.302 nan 8.370 nan 0.000 0.523 174 S N -0.237 115.475 115.700 0.020 0.000 2.527 174 S HA 0.073 4.543 4.470 0.000 0.000 0.222 174 S C 0.854 175.469 174.600 0.026 0.000 0.985 174 S CA -0.268 57.944 58.200 0.020 0.000 0.921 174 S CB -0.170 63.041 63.200 0.018 0.000 0.772 174 S HN 0.084 nan 8.310 nan 0.000 0.529 175 V N -0.411 119.520 119.914 0.028 0.000 2.925 175 V HA 0.797 4.917 4.120 0.000 0.000 0.311 175 V C -0.191 175.920 176.094 0.029 0.000 1.104 175 V CA -1.240 61.081 62.300 0.034 0.000 0.954 175 V CB 1.528 33.377 31.823 0.045 0.000 1.022 175 V HN 0.429 nan 8.190 nan 0.000 0.427 176 I N 1.262 121.849 120.570 0.028 0.000 2.396 176 I HA 0.663 4.833 4.170 0.000 0.000 0.292 176 I C -0.040 176.090 176.117 0.022 0.000 0.999 176 I CA -0.583 60.730 61.300 0.021 0.000 1.310 176 I CB 0.571 38.581 38.000 0.017 0.000 1.404 176 I HN 0.645 nan 8.210 nan 0.000 0.496 177 I N 6.981 127.561 120.570 0.017 0.000 2.301 177 I HA 0.432 4.602 4.170 0.000 0.000 0.292 177 I C -1.880 174.242 176.117 0.008 0.000 1.046 177 I CA -2.675 58.632 61.300 0.013 0.000 1.282 177 I CB 0.300 38.303 38.000 0.006 0.000 1.409 177 I HN 0.535 nan 8.210 nan 0.000 0.484 178 P HA 0.167 nan 4.420 nan 0.000 0.274 178 P C -0.299 177.000 177.300 -0.001 0.000 1.237 178 P CA -0.332 62.769 63.100 0.003 0.000 0.793 178 P CB 1.315 33.016 31.700 0.002 0.000 0.977 179 D N 0.446 120.844 120.400 -0.003 0.000 2.358 179 D HA 0.118 4.758 4.640 0.000 0.000 0.244 179 D C -0.021 176.274 176.300 -0.008 0.000 1.163 179 D CA -0.089 53.908 54.000 -0.006 0.000 0.945 179 D CB 0.736 41.532 40.800 -0.006 0.000 1.152 179 D HN 0.184 nan 8.370 nan 0.000 0.451 180 L N 2.151 123.368 121.223 -0.009 0.000 2.385 180 L HA 0.138 4.478 4.340 0.000 0.000 0.285 180 L C -0.845 176.014 176.870 -0.019 0.000 1.125 180 L CA -0.127 54.706 54.840 -0.012 0.000 0.890 180 L CB 0.150 42.204 42.059 -0.010 0.000 1.251 180 L HN 0.016 nan 8.230 nan 0.000 0.445 181 V N 6.862 126.763 119.914 -0.020 0.000 2.257 181 V HA 0.469 4.589 4.120 0.000 0.000 0.269 181 V C -0.493 175.583 176.094 -0.029 0.000 1.040 181 V CA -0.471 61.815 62.300 -0.023 0.000 0.813 181 V CB 0.870 32.682 31.823 -0.018 0.000 1.065 181 V HN 0.605 nan 8.190 nan 0.000 0.457 182 L N 3.996 125.196 121.223 -0.037 0.000 2.661 182 L HA 0.508 4.848 4.340 0.000 0.000 0.263 182 L C -0.033 176.798 176.870 -0.065 0.000 0.956 182 L CA 0.152 54.967 54.840 -0.042 0.000 0.918 182 L CB 2.111 44.148 42.059 -0.037 0.000 1.280 182 L HN 0.478 nan 8.230 nan 0.000 0.416 183 S N 3.168 118.829 115.700 -0.065 0.000 2.558 183 S HA 0.317 4.788 4.470 0.000 0.000 0.293 183 S C 1.546 176.034 174.600 -0.186 0.000 1.292 183 S CA 0.482 58.611 58.200 -0.120 0.000 1.063 183 S CB 0.876 64.049 63.200 -0.044 0.000 0.831 183 S HN 1.012 nan 8.310 nan 0.000 0.499 184 A N 4.985 127.585 122.820 -0.366 0.000 2.066 184 A HA 0.054 4.375 4.320 0.000 0.000 0.218 184 A C 0.662 178.081 177.584 -0.275 0.000 1.157 184 A CA 0.690 52.528 52.037 -0.332 0.000 0.670 184 A CB -0.384 18.396 19.000 -0.366 0.000 0.804 184 A HN 0.928 nan 8.150 nan 0.000 0.453 185 H N 0.108 119.171 119.070 -0.011 0.000 2.556 185 H HA 0.452 5.008 4.556 0.000 0.000 0.310 185 H C 0.707 176.025 175.328 -0.016 0.000 1.057 185 H CA -0.308 55.731 56.048 -0.015 0.000 1.264 185 H CB 0.448 30.201 29.762 -0.015 0.000 1.404 185 H HN 0.215 nan 8.280 nan 0.000 0.462 186 G N 1.480 110.327 108.800 0.078 0.000 2.634 186 G HA2 0.367 4.327 3.960 0.000 0.000 0.255 186 G HA3 0.367 4.327 3.960 0.000 0.000 0.255 186 G C 0.059 174.979 174.900 0.034 0.000 1.205 186 G CA -0.273 44.848 45.100 0.036 0.000 0.884 186 G HN 0.797 nan 8.290 nan 0.000 0.549 187 A N 0.193 123.023 122.820 0.016 0.000 2.462 187 A HA 0.551 4.871 4.320 0.000 0.000 0.243 187 A C 0.899 178.481 177.584 -0.002 0.000 1.076 187 A CA -0.081 51.961 52.037 0.009 0.000 0.773 187 A CB 0.156 19.158 19.000 0.004 0.000 1.010 187 A HN 0.944 nan 8.150 nan 0.000 0.493 188 R N 1.574 122.069 120.500 -0.008 0.000 2.856 188 R HA 0.726 5.067 4.340 0.000 0.000 0.258 188 R C -2.970 173.320 176.300 -0.017 0.000 1.066 188 R CA -1.867 54.221 56.100 -0.019 0.000 1.045 188 R CB -0.013 30.270 30.300 -0.028 0.000 1.178 188 R HN 0.376 nan 8.270 nan 0.000 0.499 189 P HA -0.051 nan 4.420 nan 0.000 0.269 189 P C -0.821 176.473 177.300 -0.010 0.000 1.215 189 P CA -0.100 62.991 63.100 -0.014 0.000 0.780 189 P CB 0.407 32.096 31.700 -0.018 0.000 0.898 190 D N 3.089 123.487 120.400 -0.004 0.000 2.525 190 D HA -0.060 4.580 4.640 0.000 0.000 0.235 190 D C -1.171 175.129 176.300 0.000 0.000 1.137 190 D CA -1.029 52.970 54.000 -0.001 0.000 0.868 190 D CB 0.711 41.513 40.800 0.003 0.000 1.180 190 D HN 0.170 nan 8.370 nan 0.000 0.465 191 P HA -0.154 nan 4.420 nan 0.000 0.218 191 P C 0.983 178.289 177.300 0.011 0.000 1.148 191 P CA 1.196 64.299 63.100 0.005 0.000 0.822 191 P CB 0.038 31.740 31.700 0.005 0.000 0.784 192 A N 0.434 123.260 122.820 0.010 0.000 1.902 192 A HA -0.201 4.119 4.320 0.000 0.000 0.217 192 A C 2.069 179.663 177.584 0.017 0.000 1.181 192 A CA 2.016 54.060 52.037 0.013 0.000 0.623 192 A CB -1.247 17.759 19.000 0.010 0.000 0.818 192 A HN 0.080 nan 8.150 nan 0.000 0.443 193 D N -0.514 119.895 120.400 0.015 0.000 2.117 193 D HA -0.096 4.545 4.640 0.000 0.000 0.198 193 D C 1.863 178.177 176.300 0.023 0.000 0.982 193 D CA 0.989 55.000 54.000 0.018 0.000 0.828 193 D CB -0.373 40.435 40.800 0.013 0.000 0.967 193 D HN 0.311 nan 8.370 nan 0.000 0.464 194 L N 1.227 122.460 121.223 0.016 0.000 2.012 194 L HA -0.179 4.161 4.340 0.000 0.000 0.210 194 L C 1.613 178.513 176.870 0.049 0.000 1.073 194 L CA 1.692 56.544 54.840 0.020 0.000 0.748 194 L CB -0.312 41.749 42.059 0.003 0.000 0.891 194 L HN -0.122 nan 8.230 nan 0.000 0.431 195 D N -1.141 119.285 120.400 0.044 0.000 2.117 195 D HA -0.255 4.385 4.640 0.000 0.000 0.197 195 D C 2.039 178.373 176.300 0.056 0.000 0.987 195 D CA 1.296 55.328 54.000 0.053 0.000 0.829 195 D CB -0.114 40.706 40.800 0.034 0.000 0.961 195 D HN 0.500 nan 8.370 nan 0.000 0.460 196 Q N 0.337 120.165 119.800 0.045 0.000 2.050 196 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 196 Q C 2.071 178.111 176.000 0.067 0.000 0.980 196 Q CA 1.631 57.461 55.803 0.045 0.000 0.840 196 Q CB -0.062 28.697 28.738 0.035 0.000 0.898 196 Q HN 0.201 nan 8.270 nan 0.000 0.424 197 A N 0.719 123.584 122.820 0.075 0.000 1.883 197 A HA -0.181 4.139 4.320 0.000 0.000 0.217 197 A C 2.039 179.719 177.584 0.160 0.000 1.186 197 A CA 1.413 53.511 52.037 0.100 0.000 0.624 197 A CB -0.763 18.287 19.000 0.082 0.000 0.822 197 A HN 0.460 nan 8.150 nan 0.000 0.444 198 L N -0.953 120.382 121.223 0.188 0.000 2.141 198 L HA -0.130 4.210 4.340 0.000 0.000 0.209 198 L C 3.054 180.068 176.870 0.240 0.000 1.094 198 L CA 0.799 55.837 54.840 0.330 0.000 0.763 198 L CB -0.485 41.793 42.059 0.365 0.000 0.908 198 L HN 0.440 nan 8.230 nan 0.000 0.437 199 A N 0.279 123.166 122.820 0.112 0.000 1.902 199 A HA -0.172 4.148 4.320 0.000 0.000 0.217 199 A C 2.248 179.862 177.584 0.050 0.000 1.181 199 A CA 1.447 53.504 52.037 0.034 0.000 0.623 199 A CB -0.675 18.334 19.000 0.016 0.000 0.818 199 A HN 0.342 nan 8.150 nan 0.000 0.443 200 L N -1.252 120.020 121.223 0.082 0.000 2.046 200 L HA -0.161 4.179 4.340 0.000 0.000 0.208 200 L C 2.534 179.477 176.870 0.120 0.000 1.077 200 L CA 1.032 55.921 54.840 0.081 0.000 0.747 200 L CB -0.440 41.666 42.059 0.079 0.000 0.896 200 L HN 0.428 nan 8.230 nan 0.000 0.432 201 L N -0.020 121.327 121.223 0.206 0.000 2.046 201 L HA -0.203 4.137 4.340 0.000 0.000 0.208 201 L C 2.723 179.808 176.870 0.359 0.000 1.077 201 L CA 1.643 56.663 54.840 0.299 0.000 0.747 201 L CB -0.458 41.850 42.059 0.415 0.000 0.896 201 L HN 0.105 nan 8.230 nan 0.000 0.432 202 R N -1.044 119.622 120.500 0.277 0.000 2.075 202 R HA -0.145 4.195 4.340 0.000 0.000 0.232 202 R C 2.262 178.564 176.300 0.004 0.000 1.126 202 R CA 1.596 57.696 56.100 -0.001 0.000 0.963 202 R CB -0.040 30.007 30.300 -0.422 0.000 0.858 202 R HN 0.119 nan 8.270 nan 0.000 0.435 203 K N -0.088 120.316 120.400 0.006 0.000 2.296 203 K HA 0.244 4.564 4.320 0.000 0.000 0.200 203 K C 0.696 177.295 176.600 -0.002 0.000 1.048 203 K CA 0.573 56.854 56.287 -0.010 0.000 0.966 203 K CB -0.113 32.380 32.500 -0.012 0.000 0.754 203 K HN 0.476 nan 8.250 nan 0.000 0.466 204 A N 1.591 124.423 122.820 0.022 0.000 2.483 204 A HA 0.074 4.394 4.320 0.000 0.000 0.238 204 A C 1.076 178.623 177.584 -0.061 0.000 1.070 204 A CA 0.042 52.071 52.037 -0.014 0.000 0.770 204 A CB 0.094 19.101 19.000 0.012 0.000 1.008 204 A HN 0.473 nan 8.150 nan 0.000 0.497 205 E N 0.826 120.947 120.200 -0.132 0.000 2.122 205 E HA -0.017 4.333 4.350 0.000 0.000 0.190 205 E C 0.245 176.583 176.600 -0.436 0.000 0.977 205 E CA 0.699 56.978 56.400 -0.201 0.000 0.820 205 E CB 0.153 29.743 29.700 -0.183 0.000 0.770 205 E HN 0.639 nan 8.360 nan 0.000 0.462 206 R N 1.106 121.256 120.500 -0.582 0.000 2.674 206 R HA 0.211 4.551 4.340 0.000 0.000 0.270 206 R C -2.670 173.322 176.300 -0.513 0.000 1.492 206 R CA -1.325 54.006 56.100 -1.281 0.000 1.624 206 R CB 1.395 30.841 30.300 -1.422 0.000 1.307 206 R HN 0.058 nan 8.270 nan 0.000 0.683 207 P HA 0.159 nan 4.420 nan 0.000 0.282 207 P C -0.258 177.304 177.300 0.438 0.000 1.249 207 P CA -0.294 62.906 63.100 0.168 0.000 0.806 207 P CB 1.724 33.518 31.700 0.155 0.000 0.984 208 V N 0.731 120.825 119.914 0.301 0.000 3.040 208 V HA 0.651 4.771 4.120 0.000 0.000 0.312 208 V C -0.584 175.625 176.094 0.191 0.000 1.115 208 V CA -1.181 61.303 62.300 0.307 0.000 0.998 208 V CB 1.976 33.967 31.823 0.281 0.000 1.042 208 V HN 0.298 nan 8.190 nan 0.000 0.433 209 I N 2.232 122.921 120.570 0.198 0.000 2.441 209 I HA 0.664 4.834 4.170 0.000 0.000 0.295 209 I C -0.800 175.410 176.117 0.156 0.000 0.994 209 I CA -0.939 60.449 61.300 0.145 0.000 1.144 209 I CB 2.159 40.235 38.000 0.127 0.000 1.314 209 I HN 0.501 nan 8.210 nan 0.000 0.445 210 V N 6.904 126.866 119.914 0.080 0.000 2.407 210 V HA 0.407 4.528 4.120 0.000 0.000 0.291 210 V C -0.075 176.030 176.094 0.018 0.000 1.018 210 V CA -0.600 61.731 62.300 0.052 0.000 0.842 210 V CB 1.511 33.313 31.823 -0.036 0.000 0.996 210 V HN 0.466 nan 8.190 nan 0.000 0.426 211 L N 4.091 125.331 121.223 0.029 0.000 2.334 211 L HA 0.800 5.140 4.340 0.000 0.000 0.277 211 L C 0.941 177.801 176.870 -0.016 0.000 1.075 211 L CA -0.005 54.839 54.840 0.008 0.000 0.804 211 L CB 1.338 43.409 42.059 0.019 0.000 1.174 211 L HN 0.758 nan 8.230 nan 0.000 0.438 212 G N -0.234 108.546 108.800 -0.033 0.000 3.016 212 G HA2 0.341 4.301 3.960 0.000 0.000 0.270 212 G HA3 0.341 4.301 3.960 0.000 0.000 0.270 212 G C 0.756 175.628 174.900 -0.047 0.000 1.352 212 G CA 0.228 45.297 45.100 -0.052 0.000 1.060 212 G HN 0.650 nan 8.290 nan 0.000 0.538 213 S N -0.700 114.959 115.700 -0.069 0.000 2.383 213 S HA -0.146 4.325 4.470 0.000 0.000 0.229 213 S C 1.630 176.199 174.600 -0.051 0.000 1.030 213 S CA 1.853 60.014 58.200 -0.065 0.000 1.002 213 S CB -0.267 62.873 63.200 -0.100 0.000 0.829 213 S HN 0.524 nan 8.310 nan 0.000 0.467 214 E N 1.838 122.006 120.200 -0.053 0.000 2.204 214 E HA -0.030 4.321 4.350 0.000 0.000 0.195 214 E C 2.357 178.940 176.600 -0.028 0.000 0.990 214 E CA 1.081 57.457 56.400 -0.040 0.000 0.821 214 E CB -0.636 29.040 29.700 -0.040 0.000 0.750 214 E HN 0.733 nan 8.360 nan 0.000 0.477 215 A N 0.776 123.581 122.820 -0.025 0.000 1.930 215 A HA -0.149 4.172 4.320 0.000 0.000 0.217 215 A C 2.405 179.982 177.584 -0.012 0.000 1.175 215 A CA 1.781 53.809 52.037 -0.015 0.000 0.627 215 A CB -0.482 18.514 19.000 -0.007 0.000 0.815 215 A HN 0.239 nan 8.150 nan 0.000 0.443 216 S N -0.916 114.776 115.700 -0.015 0.000 2.383 216 S HA -0.134 4.337 4.470 0.000 0.000 0.227 216 S C 2.205 176.793 174.600 -0.020 0.000 1.026 216 S CA 0.973 59.164 58.200 -0.014 0.000 0.981 216 S CB -0.327 62.865 63.200 -0.014 0.000 0.818 216 S HN 0.524 nan 8.310 nan 0.000 0.472 217 R N 0.858 121.343 120.500 -0.024 0.000 2.096 217 R HA -0.029 4.311 4.340 0.000 0.000 0.235 217 R C 2.489 178.778 176.300 -0.019 0.000 1.127 217 R CA 1.869 57.955 56.100 -0.023 0.000 0.968 217 R CB -1.715 28.572 30.300 -0.022 0.000 0.861 217 R HN 0.728 nan 8.270 nan 0.000 0.440 218 T N -2.550 111.994 114.554 -0.016 0.000 3.051 218 T HA 0.334 4.684 4.350 0.000 0.000 0.255 218 T C 1.010 175.705 174.700 -0.008 0.000 1.085 218 T CA 0.485 62.578 62.100 -0.011 0.000 1.109 218 T CB 0.146 69.009 68.868 -0.007 0.000 0.921 218 T HN 0.272 nan 8.240 nan 0.000 0.488 219 A N 2.061 124.876 122.820 -0.009 0.000 2.610 219 A HA -0.162 4.159 4.320 0.000 0.000 0.299 219 A C 0.669 178.252 177.584 -0.002 0.000 1.487 219 A CA 0.307 52.340 52.037 -0.007 0.000 0.743 219 A CB -1.869 17.124 19.000 -0.012 0.000 1.070 219 A HN 0.462 nan 8.150 nan 0.000 0.439 220 R N 0.020 120.521 120.500 0.001 0.000 4.164 220 R HA 0.141 4.481 4.340 0.000 0.000 0.195 220 R C 1.191 177.495 176.300 0.007 0.000 1.712 220 R CA 0.240 56.343 56.100 0.005 0.000 1.457 220 R CB -0.125 30.175 30.300 0.001 0.000 1.387 220 R HN 0.737 nan 8.270 nan 0.000 0.785 221 K N -0.126 120.277 120.400 0.005 0.000 2.057 221 K HA -0.078 4.243 4.320 0.000 0.000 0.206 221 K C 1.563 178.167 176.600 0.007 0.000 1.050 221 K CA 1.538 57.827 56.287 0.004 0.000 0.935 221 K CB 0.206 32.705 32.500 -0.002 0.000 0.715 221 K HN 0.175 nan 8.250 nan 0.000 0.439 222 T N 1.076 115.634 114.554 0.006 0.000 2.708 222 T HA -0.147 4.203 4.350 0.000 0.000 0.266 222 T C 1.998 176.706 174.700 0.014 0.000 1.037 222 T CA 1.420 63.524 62.100 0.007 0.000 1.146 222 T CB -0.263 68.608 68.868 0.005 0.000 0.865 222 T HN 0.321 nan 8.240 nan 0.000 0.435 223 A N 1.220 124.048 122.820 0.014 0.000 1.902 223 A HA -0.024 4.297 4.320 0.000 0.000 0.217 223 A C 2.252 179.869 177.584 0.055 0.000 1.181 223 A CA 1.338 53.387 52.037 0.019 0.000 0.623 223 A CB -0.859 18.137 19.000 -0.005 0.000 0.818 223 A HN 0.401 nan 8.150 nan 0.000 0.443 224 L N -0.033 121.223 121.223 0.054 0.000 2.017 224 L HA -0.134 4.207 4.340 0.000 0.000 0.208 224 L C 2.664 179.581 176.870 0.080 0.000 1.073 224 L CA 2.598 57.498 54.840 0.100 0.000 0.745 224 L CB -0.775 41.321 42.059 0.062 0.000 0.894 224 L HN 0.392 nan 8.230 nan 0.000 0.432 225 S N -0.767 114.950 115.700 0.029 0.000 2.365 225 S HA -0.253 4.217 4.470 0.000 0.000 0.225 225 S C 2.164 176.762 174.600 -0.003 0.000 1.039 225 S CA 1.577 59.776 58.200 -0.002 0.000 1.033 225 S CB -0.578 62.617 63.200 -0.009 0.000 0.887 225 S HN 0.653 nan 8.310 nan 0.000 0.447 226 A N 0.614 123.449 122.820 0.025 0.000 1.877 226 A HA -0.018 4.303 4.320 0.000 0.000 0.216 226 A C 2.106 179.715 177.584 0.042 0.000 1.186 226 A CA 1.639 53.692 52.037 0.026 0.000 0.620 226 A CB -1.241 17.782 19.000 0.038 0.000 0.822 226 A HN 0.745 nan 8.150 nan 0.000 0.443 227 F N 0.448 120.337 119.950 -0.101 0.000 2.102 227 F HA -0.178 4.349 4.527 0.000 0.000 0.298 227 F C 2.157 177.838 175.800 -0.197 0.000 1.105 227 F CA 1.848 59.756 58.000 -0.154 0.000 1.239 227 F CB 0.017 38.942 39.000 -0.124 0.000 0.991 227 F HN 0.055 nan 8.300 nan 0.000 0.474 228 V N 0.423 120.151 119.914 -0.310 0.000 2.453 228 V HA -0.246 3.874 4.120 0.000 0.000 0.247 228 V C 2.625 178.534 176.094 -0.309 0.000 1.048 228 V CA 1.557 63.607 62.300 -0.417 0.000 1.049 228 V CB -1.136 30.552 31.823 -0.226 0.000 0.672 228 V HN 0.497 nan 8.190 nan 0.000 0.457 229 A N -0.054 122.651 122.820 -0.192 0.000 1.930 229 A HA -0.011 4.309 4.320 0.000 0.000 0.217 229 A C 2.385 179.875 177.584 -0.155 0.000 1.175 229 A CA 1.795 53.751 52.037 -0.135 0.000 0.627 229 A CB -0.574 18.381 19.000 -0.075 0.000 0.815 229 A HN 0.532 nan 8.150 nan 0.000 0.443 230 A N -0.434 122.261 122.820 -0.208 0.000 1.897 230 A HA -0.031 4.289 4.320 0.000 0.000 0.215 230 A C 2.372 179.700 177.584 -0.426 0.000 1.181 230 A CA 2.314 54.217 52.037 -0.223 0.000 0.620 230 A CB -0.963 17.922 19.000 -0.192 0.000 0.821 230 A HN 0.719 nan 8.150 nan 0.000 0.443 231 T N -4.935 109.207 114.554 -0.686 0.000 3.037 231 T HA 0.379 4.730 4.350 0.000 0.000 0.252 231 T C 1.501 176.016 174.700 -0.308 0.000 1.073 231 T CA 1.160 62.772 62.100 -0.812 0.000 1.091 231 T CB -0.082 68.039 68.868 -1.246 0.000 0.935 231 T HN 1.666 nan 8.240 nan 0.000 0.488 232 G N 1.158 109.801 108.800 -0.262 0.000 2.168 232 G HA2 -0.224 3.736 3.960 0.000 0.000 0.257 232 G HA3 -0.224 3.736 3.960 0.000 0.000 0.257 232 G C 0.068 174.916 174.900 -0.088 0.000 0.997 232 G CA 0.198 45.224 45.100 -0.124 0.000 0.708 232 G HN 0.732 nan 8.290 nan 0.000 0.520 233 V N 2.418 122.228 119.914 -0.173 0.000 2.461 233 V HA 0.398 4.518 4.120 0.000 0.000 0.275 233 V C -1.239 174.807 176.094 -0.080 0.000 1.047 233 V CA -1.450 60.815 62.300 -0.057 0.000 0.955 233 V CB 1.410 33.172 31.823 -0.101 0.000 0.988 233 V HN 0.188 nan 8.190 nan 0.000 0.471 234 P HA 0.160 nan 4.420 nan 0.000 0.268 234 P C -0.813 176.435 177.300 -0.087 0.000 1.205 234 P CA 0.032 63.046 63.100 -0.144 0.000 0.771 234 P CB 0.745 32.302 31.700 -0.237 0.000 0.858 235 V N 4.144 123.928 119.914 -0.217 0.000 2.448 235 V HA 0.413 4.533 4.120 0.000 0.000 0.295 235 V C 0.067 175.998 176.094 -0.271 0.000 1.025 235 V CA -0.323 61.909 62.300 -0.114 0.000 0.859 235 V CB 0.574 32.346 31.823 -0.086 0.000 0.988 235 V HN 0.370 nan 8.190 nan 0.000 0.431 236 F N 2.103 122.016 119.950 -0.062 0.000 2.518 236 F HA 0.923 5.450 4.527 0.001 0.000 0.338 236 F C 0.515 176.284 175.800 -0.052 0.000 1.065 236 F CA -0.607 57.353 58.000 -0.065 0.000 1.012 236 F CB 1.861 40.805 39.000 -0.092 0.000 1.297 236 F HN 0.617 nan 8.300 nan 0.000 0.489 237 A N 0.289 123.204 122.820 0.158 0.000 2.594 237 A HA 0.556 4.876 4.320 0.000 0.000 0.295 237 A C -1.596 176.007 177.584 0.031 0.000 1.071 237 A CA -0.902 51.175 52.037 0.068 0.000 0.685 237 A CB 1.030 20.061 19.000 0.051 0.000 1.285 237 A HN 0.686 nan 8.150 nan 0.000 0.405 238 D N -0.031 120.353 120.400 -0.026 0.000 2.393 238 D HA 0.199 4.839 4.640 0.000 0.000 0.246 238 D C 0.740 177.046 176.300 0.011 0.000 1.275 238 D CA -0.084 53.848 54.000 -0.114 0.000 0.979 238 D CB -0.054 40.652 40.800 -0.157 0.000 1.101 238 D HN 0.439 nan 8.370 nan 0.000 0.505 239 Y N -1.039 119.341 120.300 0.133 0.000 2.102 239 Y HA -0.148 4.403 4.550 0.001 0.000 0.280 239 Y C 2.449 178.449 175.900 0.165 0.000 1.178 239 Y CA 1.761 60.005 58.100 0.240 0.000 1.146 239 Y CB -0.937 37.611 38.460 0.146 0.000 0.968 239 Y HN 0.511 nan 8.280 nan 0.000 0.504 240 E N -0.303 120.002 120.200 0.175 0.000 2.208 240 E HA -0.037 4.314 4.350 0.000 0.000 0.193 240 E C 2.385 179.023 176.600 0.063 0.000 0.988 240 E CA 1.049 57.489 56.400 0.067 0.000 0.828 240 E CB -0.548 29.139 29.700 -0.021 0.000 0.763 240 E HN 0.397 nan 8.360 nan 0.000 0.478 241 G N -0.051 108.786 108.800 0.062 0.000 2.813 241 G HA2 -0.111 3.849 3.960 0.000 0.000 0.209 241 G HA3 -0.111 3.849 3.960 0.000 0.000 0.209 241 G C 1.329 176.270 174.900 0.069 0.000 1.150 241 G CA 0.336 45.463 45.100 0.045 0.000 0.785 241 G HN 0.299 nan 8.290 nan 0.000 0.535 242 L N 2.188 123.488 121.223 0.129 0.000 2.042 242 L HA -0.100 4.240 4.340 0.000 0.000 0.210 242 L C 2.946 179.853 176.870 0.060 0.000 1.076 242 L CA 2.594 57.497 54.840 0.104 0.000 0.749 242 L CB -0.539 41.612 42.059 0.154 0.000 0.893 242 L HN 0.271 nan 8.230 nan 0.000 0.432 243 S N -1.950 113.802 115.700 0.087 0.000 2.481 243 S HA -0.126 4.344 4.470 0.000 0.000 0.231 243 S C 1.800 176.411 174.600 0.018 0.000 0.996 243 S CA 0.775 59.006 58.200 0.051 0.000 0.942 243 S CB -0.542 62.698 63.200 0.065 0.000 0.768 243 S HN 0.396 nan 8.310 nan 0.000 0.520 244 M N 1.097 120.708 119.600 0.018 0.000 2.632 244 M HA 0.238 4.718 4.480 0.000 0.000 0.256 244 M C 1.328 177.623 176.300 -0.009 0.000 1.080 244 M CA 0.697 56.000 55.300 0.004 0.000 1.084 244 M CB -1.057 31.548 32.600 0.008 0.000 1.439 244 M HN 0.430 nan 8.290 nan 0.000 0.509 245 L N -1.848 119.364 121.223 -0.019 0.000 2.567 245 L HA 0.053 4.393 4.340 0.000 0.000 0.225 245 L C 2.024 178.863 176.870 -0.052 0.000 1.119 245 L CA 0.005 54.817 54.840 -0.047 0.000 0.871 245 L CB -0.356 41.661 42.059 -0.069 0.000 1.036 245 L HN 0.120 nan 8.230 nan 0.000 0.459 246 S N 0.613 116.292 115.700 -0.036 0.000 2.447 246 S HA -0.057 4.413 4.470 0.000 0.000 0.233 246 S C 1.816 176.392 174.600 -0.040 0.000 1.006 246 S CA 1.203 59.380 58.200 -0.038 0.000 0.957 246 S CB -0.070 63.115 63.200 -0.025 0.000 0.773 246 S HN 0.589 nan 8.310 nan 0.000 0.507 247 G N 0.399 109.178 108.800 -0.035 0.000 3.189 247 G HA2 0.357 4.317 3.960 0.000 0.000 0.225 247 G HA3 0.357 4.317 3.960 0.000 0.000 0.225 247 G C 0.167 175.042 174.900 -0.043 0.000 1.159 247 G CA -0.256 44.824 45.100 -0.034 0.000 0.763 247 G HN 0.292 nan 8.290 nan 0.000 0.549 248 L N 0.757 121.947 121.223 -0.056 0.000 2.379 248 L HA 0.379 4.720 4.340 0.000 0.000 0.269 248 L C -2.087 174.737 176.870 -0.077 0.000 1.084 248 L CA -2.155 52.643 54.840 -0.070 0.000 0.802 248 L CB 1.537 43.543 42.059 -0.087 0.000 1.175 248 L HN -0.134 nan 8.230 nan 0.000 0.448 249 P HA 0.029 nan 4.420 nan 0.000 0.269 249 P C -0.195 177.047 177.300 -0.097 0.000 1.209 249 P CA -0.228 62.824 63.100 -0.079 0.000 0.776 249 P CB 0.530 32.184 31.700 -0.075 0.000 0.876 250 D N 2.079 122.423 120.400 -0.092 0.000 2.149 250 D HA -0.222 4.418 4.640 0.000 0.000 0.194 250 D C 1.874 178.099 176.300 -0.124 0.000 1.001 250 D CA 2.066 56.002 54.000 -0.106 0.000 0.849 250 D CB -0.687 40.057 40.800 -0.093 0.000 0.939 250 D HN 0.415 nan 8.370 nan 0.000 0.449 251 A N 0.004 122.758 122.820 -0.110 0.000 2.024 251 A HA -0.143 4.177 4.320 0.000 0.000 0.220 251 A C 1.931 179.422 177.584 -0.155 0.000 1.164 251 A CA 1.404 53.370 52.037 -0.117 0.000 0.643 251 A CB -0.302 18.646 19.000 -0.087 0.000 0.806 251 A HN 0.154 nan 8.150 nan 0.000 0.451 252 M N -0.840 118.664 119.600 -0.160 0.000 2.356 252 M HA 0.196 4.676 4.480 0.000 0.000 0.262 252 M C 0.160 176.314 176.300 -0.244 0.000 1.097 252 M CA 0.285 55.470 55.300 -0.191 0.000 0.991 252 M CB 0.521 33.024 32.600 -0.162 0.000 1.450 252 M HN 0.096 nan 8.290 nan 0.000 0.495 253 R N 0.093 120.445 120.500 -0.247 0.000 2.287 253 R HA 0.374 4.714 4.340 0.000 0.000 0.327 253 R C 1.258 177.303 176.300 -0.426 0.000 1.109 253 R CA -0.190 55.738 56.100 -0.286 0.000 1.013 253 R CB 0.368 30.550 30.300 -0.197 0.000 1.126 253 R HN 0.318 nan 8.270 nan 0.000 0.503 254 G N 1.710 110.054 108.800 -0.761 0.000 2.484 254 G HA2 0.110 4.070 3.960 0.000 0.000 0.218 254 G HA3 0.110 4.070 3.960 0.000 0.000 0.218 254 G C 0.841 175.269 174.900 -0.786 0.000 1.130 254 G CA 0.591 44.863 45.100 -1.379 0.000 0.784 254 G HN 0.870 nan 8.290 nan 0.000 0.543 255 G N -0.304 108.228 108.800 -0.447 0.000 2.525 255 G HA2 -0.231 3.730 3.960 0.000 0.000 0.248 255 G HA3 -0.231 3.730 3.960 0.000 0.000 0.248 255 G C -0.005 174.919 174.900 0.039 0.000 1.238 255 G CA -0.295 44.723 45.100 -0.137 0.000 0.926 255 G HN 0.600 nan 8.290 nan 0.000 0.574 256 L N 0.442 121.730 121.223 0.108 0.000 2.453 256 L HA 0.212 4.553 4.340 0.000 0.000 0.272 256 L C 2.184 179.190 176.870 0.226 0.000 1.182 256 L CA 0.307 55.236 54.840 0.149 0.000 0.858 256 L CB 1.186 43.336 42.059 0.151 0.000 1.120 256 L HN 0.612 nan 8.230 nan 0.000 0.474 257 V N 3.908 123.902 119.914 0.134 0.000 2.688 257 V HA -0.273 3.847 4.120 0.000 0.000 0.256 257 V C 2.351 178.424 176.094 -0.036 0.000 1.084 257 V CA 2.197 64.511 62.300 0.024 0.000 1.103 257 V CB -0.471 31.310 31.823 -0.069 0.000 0.688 257 V HN 1.078 nan 8.190 nan 0.000 0.480 258 Q N -0.645 119.167 119.800 0.021 0.000 2.248 258 Q HA -0.287 4.054 4.340 0.000 0.000 0.208 258 Q C 1.671 177.740 176.000 0.115 0.000 0.984 258 Q CA 2.135 57.970 55.803 0.053 0.000 0.875 258 Q CB -0.733 28.047 28.738 0.072 0.000 0.910 258 Q HN 0.582 nan 8.270 nan 0.000 0.433 259 N N 1.073 119.870 118.700 0.162 0.000 2.364 259 N HA -0.045 4.695 4.740 0.000 0.000 0.183 259 N C 1.618 177.278 175.510 0.251 0.000 1.022 259 N CA 0.791 53.999 53.050 0.262 0.000 0.883 259 N CB -0.190 38.520 38.487 0.373 0.000 0.965 259 N HN 0.340 nan 8.380 nan 0.000 0.438 260 L N -0.357 120.798 121.223 -0.113 0.000 2.450 260 L HA -0.169 4.171 4.340 0.000 0.000 0.224 260 L C 1.996 178.891 176.870 0.041 0.000 1.149 260 L CA 0.557 55.143 54.840 -0.424 0.000 0.816 260 L CB -0.466 41.179 42.059 -0.689 0.000 0.932 260 L HN 0.183 nan 8.230 nan 0.000 0.449 261 Y N 1.295 121.626 120.300 0.053 0.000 2.151 261 Y HA -0.353 4.197 4.550 0.000 0.000 0.284 261 Y C 2.725 178.714 175.900 0.148 0.000 1.166 261 Y CA 1.926 60.071 58.100 0.076 0.000 1.163 261 Y CB -0.114 38.381 38.460 0.057 0.000 0.974 261 Y HN 0.260 nan 8.280 nan 0.000 0.511 262 S N -1.171 114.689 115.700 0.266 0.000 2.593 262 S HA -0.013 4.457 4.470 0.000 0.000 0.217 262 S C 1.583 176.246 174.600 0.104 0.000 0.966 262 S CA -0.008 58.270 58.200 0.129 0.000 0.914 262 S CB -1.196 62.124 63.200 0.200 0.000 0.776 262 S HN 0.458 nan 8.310 nan 0.000 0.523 263 F N 2.087 122.012 119.950 -0.041 0.000 2.163 263 F HA 0.087 4.615 4.527 0.001 0.000 0.297 263 F C 2.861 178.655 175.800 -0.010 0.000 1.094 263 F CA 0.783 58.792 58.000 0.016 0.000 1.290 263 F CB -0.452 38.582 39.000 0.056 0.000 1.017 263 F HN 0.343 nan 8.300 nan 0.000 0.483 264 A N 0.056 122.938 122.820 0.104 0.000 1.902 264 A HA -0.192 4.128 4.320 0.000 0.000 0.217 264 A C 2.169 179.748 177.584 -0.008 0.000 1.181 264 A CA 1.850 53.900 52.037 0.022 0.000 0.623 264 A CB -0.766 18.207 19.000 -0.046 0.000 0.818 264 A HN 0.199 nan 8.150 nan 0.000 0.443 265 K N -0.781 119.595 120.400 -0.040 0.000 2.283 265 K HA 0.182 4.502 4.320 0.000 0.000 0.202 265 K C 1.895 178.482 176.600 -0.023 0.000 1.048 265 K CA 0.832 57.098 56.287 -0.035 0.000 0.948 265 K CB -0.643 31.831 32.500 -0.043 0.000 0.742 265 K HN 0.701 nan 8.250 nan 0.000 0.458 266 A N 0.489 123.293 122.820 -0.027 0.000 2.278 266 A HA 0.108 4.429 4.320 0.000 0.000 0.212 266 A C 0.514 178.093 177.584 -0.008 0.000 1.213 266 A CA 0.513 52.526 52.037 -0.040 0.000 0.840 266 A CB -0.434 18.497 19.000 -0.115 0.000 0.866 266 A HN 0.389 nan 8.150 nan 0.000 0.489 267 D N -2.548 117.858 120.400 0.010 0.000 2.708 267 D HA -0.175 4.465 4.640 0.000 0.000 0.236 267 D C 0.592 176.921 176.300 0.049 0.000 1.146 267 D CA 1.120 55.133 54.000 0.021 0.000 0.662 267 D CB -1.691 39.115 40.800 0.009 0.000 1.059 267 D HN 1.255 nan 8.370 nan 0.000 0.428 268 A N -1.587 121.294 122.820 0.101 0.000 2.624 268 A HA 0.677 4.998 4.320 0.000 0.000 0.287 268 A C 0.977 178.786 177.584 0.375 0.000 1.087 268 A CA 0.629 52.797 52.037 0.218 0.000 0.964 268 A CB 0.713 19.851 19.000 0.229 0.000 1.231 268 A HN 1.238 nan 8.150 nan 0.000 0.551 269 A N 1.659 124.615 122.820 0.226 0.000 2.567 269 A HA 0.480 4.801 4.320 0.000 0.000 0.240 269 A C -2.334 175.313 177.584 0.105 0.000 1.053 269 A CA -0.514 51.637 52.037 0.189 0.000 0.755 269 A CB -0.562 18.479 19.000 0.069 0.000 0.978 269 A HN 0.265 nan 8.150 nan 0.000 0.507 270 P HA -0.012 nan 4.420 nan 0.000 0.265 270 P C -0.017 177.257 177.300 -0.043 0.000 1.187 270 P CA 0.392 63.503 63.100 0.017 0.000 0.766 270 P CB 0.555 32.289 31.700 0.056 0.000 0.820 271 D N 2.347 122.689 120.400 -0.098 0.000 2.360 271 D HA 0.075 4.715 4.640 0.000 0.000 0.210 271 D C 0.107 176.395 176.300 -0.020 0.000 1.047 271 D CA 0.378 54.342 54.000 -0.060 0.000 0.854 271 D CB 0.012 40.759 40.800 -0.089 0.000 0.936 271 D HN 0.236 nan 8.370 nan 0.000 0.514 272 L N 0.288 121.507 121.223 -0.006 0.000 2.493 272 L HA 0.490 4.831 4.340 0.000 0.000 0.265 272 L C -1.934 174.968 176.870 0.054 0.000 0.954 272 L CA -0.747 54.113 54.840 0.034 0.000 0.844 272 L CB 2.409 44.495 42.059 0.046 0.000 1.302 272 L HN -0.260 nan 8.230 nan 0.000 0.405 273 V N 5.206 125.152 119.914 0.054 0.000 2.483 273 V HA 0.407 4.528 4.120 0.000 0.000 0.297 273 V C -0.720 175.405 176.094 0.052 0.000 1.027 273 V CA -0.513 61.813 62.300 0.042 0.000 0.855 273 V CB 1.769 33.593 31.823 0.001 0.000 0.995 273 V HN 0.577 nan 8.190 nan 0.000 0.424 274 L N 6.666 127.930 121.223 0.068 0.000 2.264 274 L HA 0.606 4.946 4.340 0.000 0.000 0.287 274 L C -0.213 176.679 176.870 0.036 0.000 1.039 274 L CA 0.093 54.976 54.840 0.071 0.000 0.829 274 L CB 0.903 43.036 42.059 0.124 0.000 1.211 274 L HN 0.644 nan 8.230 nan 0.000 0.427 275 M N 6.568 126.164 119.600 -0.007 0.000 2.080 275 M HA 0.353 4.834 4.480 0.000 0.000 0.350 275 M C -0.725 175.553 176.300 -0.036 0.000 1.173 275 M CA -0.005 55.260 55.300 -0.059 0.000 1.052 275 M CB 0.943 33.450 32.600 -0.156 0.000 1.577 275 M HN 0.444 nan 8.290 nan 0.000 0.455 276 L N 3.561 124.768 121.223 -0.026 0.000 2.426 276 L HA 0.412 4.752 4.340 0.000 0.000 0.255 276 L C 0.954 177.803 176.870 -0.034 0.000 1.080 276 L CA -0.316 54.513 54.840 -0.019 0.000 0.960 276 L CB 0.660 42.720 42.059 0.002 0.000 1.326 276 L HN 1.120 nan 8.230 nan 0.000 0.441 277 G N 1.824 110.597 108.800 -0.044 0.000 2.189 277 G HA2 -0.311 3.649 3.960 0.000 0.000 0.267 277 G HA3 -0.311 3.649 3.960 0.000 0.000 0.267 277 G C 0.463 175.320 174.900 -0.071 0.000 0.975 277 G CA 0.216 45.284 45.100 -0.052 0.000 0.644 277 G HN 0.727 nan 8.290 nan 0.000 0.537 278 A N 0.569 123.335 122.820 -0.089 0.000 2.396 278 A HA 0.699 5.019 4.320 0.000 0.000 0.279 278 A C 0.859 178.347 177.584 -0.161 0.000 1.165 278 A CA -0.014 51.951 52.037 -0.120 0.000 0.824 278 A CB 0.200 19.119 19.000 -0.135 0.000 1.100 278 A HN 0.535 nan 8.150 nan 0.000 0.516 279 R N 1.205 121.648 120.500 -0.095 0.000 2.560 279 R HA 0.340 4.680 4.340 0.000 0.000 0.270 279 R C -1.014 175.217 176.300 -0.116 0.000 1.074 279 R CA -0.247 55.825 56.100 -0.047 0.000 1.140 279 R CB 0.571 30.931 30.300 0.100 0.000 1.073 279 R HN 0.652 nan 8.270 nan 0.000 0.527 280 F N 0.821 120.789 119.950 0.031 0.000 2.506 280 F HA 0.311 4.839 4.527 0.001 0.000 0.371 280 F C 1.298 177.085 175.800 -0.021 0.000 1.078 280 F CA 1.234 59.239 58.000 0.008 0.000 1.195 280 F CB 0.978 39.992 39.000 0.023 0.000 1.099 280 F HN 0.665 nan 8.300 nan 0.000 0.548 281 G N 2.178 111.001 108.800 0.037 0.000 2.356 281 G HA2 0.116 4.077 3.960 0.000 0.000 0.281 281 G HA3 0.116 4.077 3.960 0.000 0.000 0.281 281 G C -0.243 174.319 174.900 -0.562 0.000 1.246 281 G CA -0.653 44.315 45.100 -0.220 0.000 0.889 281 G HN 0.516 nan 8.290 nan 0.000 0.486 282 L N 0.806 121.650 121.223 -0.632 0.000 2.021 282 L HA -0.084 4.256 4.340 0.000 0.000 0.215 282 L C 2.188 178.908 176.870 -0.250 0.000 1.074 282 L CA 2.997 57.537 54.840 -0.500 0.000 0.760 282 L CB -0.558 41.433 42.059 -0.113 0.000 0.889 282 L HN 0.564 nan 8.230 nan 0.000 0.433 283 N N -1.390 117.275 118.700 -0.059 0.000 2.446 283 N HA -0.040 4.701 4.740 0.000 0.000 0.179 283 N C 1.165 176.591 175.510 -0.139 0.000 1.054 283 N CA 1.334 54.318 53.050 -0.111 0.000 0.905 283 N CB -0.173 38.225 38.487 -0.148 0.000 0.973 283 N HN 0.613 nan 8.380 nan 0.000 0.448 284 T N -3.471 111.000 114.554 -0.138 0.000 3.134 284 T HA 0.403 4.753 4.350 0.000 0.000 0.260 284 T C 1.119 175.782 174.700 -0.061 0.000 1.027 284 T CA 0.133 62.161 62.100 -0.120 0.000 0.913 284 T CB 0.458 69.227 68.868 -0.165 0.000 1.046 284 T HN 0.199 nan 8.240 nan 0.000 0.553 285 G N 1.651 110.400 108.800 -0.085 0.000 2.137 285 G HA2 -0.265 3.695 3.960 0.000 0.000 0.237 285 G HA3 -0.265 3.695 3.960 0.000 0.000 0.237 285 G C 0.293 175.287 174.900 0.156 0.000 1.002 285 G CA 0.461 45.586 45.100 0.041 0.000 0.702 285 G HN 0.882 nan 8.290 nan 0.000 0.515 286 H N -1.595 117.538 119.070 0.105 0.000 1.452 286 H HA -0.245 4.311 4.556 0.000 0.000 0.090 286 H C 1.994 177.430 175.328 0.179 0.000 0.968 286 H CA 2.658 58.777 56.048 0.118 0.000 1.901 286 H CB -1.239 28.553 29.762 0.050 0.000 2.257 286 H HN 1.184 nan 8.280 nan 0.000 0.961 287 G N -0.791 108.163 108.800 0.257 0.000 3.605 287 G HA2 0.261 4.221 3.960 0.000 0.000 0.277 287 G HA3 0.261 4.221 3.960 0.000 0.000 0.277 287 G C 1.029 176.074 174.900 0.241 0.000 1.093 287 G CA 0.564 45.760 45.100 0.160 0.000 0.821 287 G HN 0.685 nan 8.290 nan 0.000 0.532 288 S N -0.583 115.231 115.700 0.189 0.000 2.453 288 S HA 0.236 4.707 4.470 0.000 0.000 0.231 288 S C 2.094 176.629 174.600 -0.109 0.000 1.005 288 S CA 1.082 59.350 58.200 0.114 0.000 0.949 288 S CB -0.198 63.067 63.200 0.108 0.000 0.774 288 S HN 1.386 nan 8.310 nan 0.000 0.510 289 G N 0.215 108.900 108.800 -0.193 0.000 2.155 289 G HA2 -0.338 3.622 3.960 0.000 0.000 0.257 289 G HA3 -0.338 3.622 3.960 0.000 0.000 0.257 289 G C 0.748 175.492 174.900 -0.259 0.000 0.983 289 G CA 0.624 45.424 45.100 -0.499 0.000 0.676 289 G HN 0.578 nan 8.290 nan 0.000 0.528 290 Q N -0.940 118.795 119.800 -0.107 0.000 2.230 290 Q HA 0.283 4.623 4.340 0.000 0.000 0.202 290 Q C 2.920 178.890 176.000 -0.050 0.000 0.963 290 Q CA 1.601 57.370 55.803 -0.058 0.000 0.866 290 Q CB -0.020 28.765 28.738 0.078 0.000 0.931 290 Q HN 0.792 nan 8.270 nan 0.000 0.452 291 L N -1.251 119.947 121.223 -0.042 0.000 2.435 291 L HA 0.280 4.620 4.340 0.000 0.000 0.195 291 L C 0.519 177.306 176.870 -0.139 0.000 1.072 291 L CA -0.069 54.712 54.840 -0.098 0.000 0.833 291 L CB 0.287 42.292 42.059 -0.090 0.000 1.081 291 L HN 0.224 nan 8.230 nan 0.000 0.485 292 I N 2.274 122.803 120.570 -0.068 0.000 2.287 292 I HA 0.284 4.454 4.170 0.000 0.000 0.290 292 I C -2.327 173.790 176.117 -0.001 0.000 1.069 292 I CA -2.705 58.582 61.300 -0.022 0.000 1.237 292 I CB -0.221 37.829 38.000 0.083 0.000 1.418 292 I HN -0.206 nan 8.210 nan 0.000 0.481 293 P HA 0.089 nan 4.420 nan 0.000 0.268 293 P C 0.832 178.153 177.300 0.036 0.000 1.205 293 P CA 0.031 63.098 63.100 -0.055 0.000 0.771 293 P CB 0.479 32.163 31.700 -0.028 0.000 0.858 294 H N 0.821 119.905 119.070 0.023 0.000 2.457 294 H HA -0.098 4.459 4.556 0.001 0.000 0.297 294 H C 1.731 177.065 175.328 0.010 0.000 1.092 294 H CA 2.050 58.106 56.048 0.014 0.000 1.309 294 H CB -0.790 28.973 29.762 0.002 0.000 1.382 294 H HN 0.430 nan 8.280 nan 0.000 0.535 295 S N -0.212 115.560 115.700 0.120 0.000 2.522 295 S HA 0.235 4.705 4.470 0.000 0.000 0.227 295 S C 1.317 175.944 174.600 0.044 0.000 0.986 295 S CA 0.110 58.349 58.200 0.064 0.000 0.929 295 S CB 0.001 63.224 63.200 0.038 0.000 0.769 295 S HN 0.418 nan 8.310 nan 0.000 0.529 296 A N 1.527 124.377 122.820 0.051 0.000 2.371 296 A HA 0.418 4.738 4.320 0.000 0.000 0.257 296 A C 0.184 177.801 177.584 0.055 0.000 1.089 296 A CA -0.562 51.499 52.037 0.040 0.000 0.794 296 A CB 0.209 19.231 19.000 0.037 0.000 1.029 296 A HN 0.510 nan 8.150 nan 0.000 0.488 297 Q N 0.616 120.442 119.800 0.044 0.000 2.296 297 Q HA 0.399 4.739 4.340 0.000 0.000 0.262 297 Q C -0.940 175.102 176.000 0.070 0.000 0.981 297 Q CA -0.142 55.693 55.803 0.053 0.000 0.905 297 Q CB 1.322 30.085 28.738 0.041 0.000 1.186 297 Q HN 0.483 nan 8.270 nan 0.000 0.399 298 V N 5.121 125.089 119.914 0.090 0.000 2.417 298 V HA 0.390 4.510 4.120 0.000 0.000 0.291 298 V C -0.182 175.970 176.094 0.096 0.000 1.024 298 V CA -0.560 61.806 62.300 0.110 0.000 0.861 298 V CB 1.384 33.322 31.823 0.192 0.000 0.985 298 V HN 0.626 nan 8.190 nan 0.000 0.436 299 I N 4.793 125.411 120.570 0.079 0.000 2.339 299 I HA 0.462 4.632 4.170 0.000 0.000 0.290 299 I C -0.052 176.100 176.117 0.057 0.000 0.994 299 I CA -0.088 61.254 61.300 0.070 0.000 1.191 299 I CB 1.362 39.404 38.000 0.069 0.000 1.343 299 I HN 0.606 nan 8.210 nan 0.000 0.458 300 Q N 5.862 125.699 119.800 0.060 0.000 2.340 300 Q HA 0.617 4.958 4.340 0.000 0.000 0.268 300 Q C -1.769 174.249 176.000 0.029 0.000 1.031 300 Q CA -0.677 55.150 55.803 0.040 0.000 0.804 300 Q CB 2.480 31.267 28.738 0.082 0.000 1.286 300 Q HN 0.504 nan 8.270 nan 0.000 0.448 301 V N 4.410 124.328 119.914 0.007 0.000 2.444 301 V HA 0.510 4.630 4.120 0.000 0.000 0.294 301 V C -0.665 175.425 176.094 -0.007 0.000 1.022 301 V CA -0.543 61.758 62.300 0.001 0.000 0.850 301 V CB 1.675 33.491 31.823 -0.011 0.000 0.992 301 V HN 0.816 nan 8.190 nan 0.000 0.426 302 D N 5.601 126.001 120.400 0.000 0.000 2.736 302 D HA 0.348 4.988 4.640 0.000 0.000 0.223 302 D C -2.314 173.985 176.300 -0.002 0.000 1.231 302 D CA -1.228 52.769 54.000 -0.005 0.000 0.818 302 D CB 3.875 44.677 40.800 0.003 0.000 1.587 302 D HN 0.241 nan 8.370 nan 0.000 0.463 303 P HA 0.027 nan 4.420 nan 0.000 0.233 303 P C -0.017 177.284 177.300 0.002 0.000 1.167 303 P CA 0.516 63.614 63.100 -0.004 0.000 0.770 303 P CB 0.514 32.208 31.700 -0.010 0.000 0.837 304 D N -0.088 120.314 120.400 0.004 0.000 2.441 304 D HA 0.372 5.012 4.640 0.000 0.000 0.231 304 D C 1.186 177.501 176.300 0.026 0.000 1.073 304 D CA -0.649 53.359 54.000 0.014 0.000 0.850 304 D CB 1.406 42.209 40.800 0.005 0.000 1.062 304 D HN -0.167 nan 8.370 nan 0.000 0.524 305 A N 3.054 125.891 122.820 0.029 0.000 1.986 305 A HA -0.217 4.103 4.320 0.000 0.000 0.220 305 A C 2.350 179.959 177.584 0.042 0.000 1.171 305 A CA 1.300 53.358 52.037 0.034 0.000 0.640 305 A CB -0.683 18.334 19.000 0.029 0.000 0.811 305 A HN 0.768 nan 8.150 nan 0.000 0.451 306 C N -0.329 118.997 119.300 0.044 0.000 2.411 306 C HA -0.090 4.371 4.460 0.000 0.000 0.279 306 C C 2.497 177.524 174.990 0.063 0.000 1.288 306 C CA 1.143 60.191 59.018 0.051 0.000 1.764 306 C CB -1.063 26.710 27.740 0.055 0.000 1.974 306 C HN 0.590 nan 8.230 nan 0.000 0.498 307 E N 0.653 120.894 120.200 0.069 0.000 2.274 307 E HA 0.049 4.399 4.350 0.000 0.000 0.194 307 E C 0.649 177.335 176.600 0.144 0.000 0.996 307 E CA 0.358 56.819 56.400 0.101 0.000 0.840 307 E CB -0.257 29.489 29.700 0.077 0.000 0.772 307 E HN 0.652 nan 8.360 nan 0.000 0.491 308 L N 1.115 122.404 121.223 0.109 0.000 2.456 308 L HA 0.135 4.475 4.340 0.000 0.000 0.277 308 L C 1.139 178.086 176.870 0.127 0.000 1.124 308 L CA 0.208 55.123 54.840 0.126 0.000 0.880 308 L CB 0.084 42.190 42.059 0.079 0.000 1.192 308 L HN 0.190 nan 8.230 nan 0.000 0.463 309 G N 2.735 111.660 108.800 0.208 0.000 2.225 309 G HA2 -0.337 3.623 3.960 0.000 0.000 0.267 309 G HA3 -0.337 3.623 3.960 0.000 0.000 0.267 309 G C 1.301 176.150 174.900 -0.085 0.000 1.024 309 G CA 0.723 45.842 45.100 0.032 0.000 0.784 309 G HN 0.823 nan 8.290 nan 0.000 0.507 310 R N -0.517 120.003 120.500 0.034 0.000 2.113 310 R HA -0.034 4.306 4.340 0.000 0.000 0.244 310 R C 1.812 178.045 176.300 -0.112 0.000 1.142 310 R CA 1.968 58.073 56.100 0.008 0.000 0.953 310 R CB -0.197 30.169 30.300 0.110 0.000 0.860 310 R HN 0.562 nan 8.270 nan 0.000 0.438 311 L N -0.869 120.171 121.223 -0.305 0.000 3.016 311 L HA 0.325 4.665 4.340 0.000 0.000 0.267 311 L C -0.034 176.559 176.870 -0.462 0.000 1.182 311 L CA -0.207 54.454 54.840 -0.299 0.000 0.997 311 L CB 0.885 42.862 42.059 -0.136 0.000 1.354 311 L HN 0.209 nan 8.230 nan 0.000 0.569 312 Q N -0.279 119.118 119.800 -0.672 0.000 2.438 312 Q HA 0.454 4.794 4.340 0.000 0.000 0.272 312 Q C -0.531 175.259 176.000 -0.350 0.000 0.994 312 Q CA -0.562 54.913 55.803 -0.546 0.000 0.887 312 Q CB 2.241 30.529 28.738 -0.750 0.000 1.432 312 Q HN 0.123 nan 8.270 nan 0.000 0.392 313 G N 2.934 111.624 108.800 -0.185 0.000 2.398 313 G HA2 0.443 4.403 3.960 0.000 0.000 0.246 313 G HA3 0.443 4.403 3.960 0.000 0.000 0.246 313 G C -0.072 174.817 174.900 -0.019 0.000 1.289 313 G CA -0.126 44.920 45.100 -0.089 0.000 0.869 313 G HN 0.620 nan 8.290 nan 0.000 0.543 314 I N -0.544 120.038 120.570 0.021 0.000 2.957 314 I HA 0.783 4.954 4.170 0.000 0.000 0.310 314 I C 0.833 176.982 176.117 0.053 0.000 1.063 314 I CA -1.350 59.997 61.300 0.077 0.000 1.033 314 I CB 2.297 40.378 38.000 0.135 0.000 1.230 314 I HN 0.435 nan 8.210 nan 0.000 0.447 315 A N 2.904 125.761 122.820 0.061 0.000 2.044 315 A HA 0.450 4.770 4.320 0.000 0.000 0.213 315 A C 0.374 177.984 177.584 0.043 0.000 1.169 315 A CA 0.681 52.746 52.037 0.045 0.000 0.724 315 A CB 0.098 19.126 19.000 0.046 0.000 0.840 315 A HN 0.653 nan 8.150 nan 0.000 0.463 316 L N -1.257 119.998 121.223 0.053 0.000 2.562 316 L HA 0.658 4.998 4.340 0.000 0.000 0.266 316 L C -0.620 176.281 176.870 0.052 0.000 0.949 316 L CA -0.058 54.810 54.840 0.046 0.000 0.879 316 L CB 1.401 43.487 42.059 0.046 0.000 1.278 316 L HN 0.109 nan 8.230 nan 0.000 0.404 317 G N 5.904 114.731 108.800 0.045 0.000 2.605 317 G HA2 0.646 4.607 3.960 0.000 0.000 0.304 317 G HA3 0.646 4.607 3.960 0.000 0.000 0.304 317 G C -1.116 173.804 174.900 0.034 0.000 1.333 317 G CA -0.293 44.835 45.100 0.048 0.000 0.973 317 G HN 0.533 nan 8.290 nan 0.000 0.507 318 I N 2.520 123.107 120.570 0.030 0.000 2.389 318 I HA 0.226 4.396 4.170 0.000 0.000 0.288 318 I C -0.303 175.823 176.117 0.014 0.000 0.999 318 I CA -0.993 60.318 61.300 0.018 0.000 1.129 318 I CB 2.384 40.391 38.000 0.012 0.000 1.288 318 I HN 0.056 nan 8.210 nan 0.000 0.444 319 V N 6.420 126.341 119.914 0.012 0.000 2.368 319 V HA 0.771 4.892 4.120 0.000 0.000 0.266 319 V C 0.334 176.429 176.094 0.003 0.000 1.045 319 V CA -0.016 62.289 62.300 0.009 0.000 0.899 319 V CB 0.629 32.459 31.823 0.012 0.000 1.006 319 V HN 0.887 nan 8.190 nan 0.000 0.470 320 A N 3.882 126.701 122.820 -0.002 0.000 2.586 320 A HA 0.620 4.940 4.320 0.000 0.000 0.290 320 A C -1.203 176.374 177.584 -0.010 0.000 1.086 320 A CA -0.759 51.274 52.037 -0.007 0.000 0.665 320 A CB 1.224 20.216 19.000 -0.013 0.000 1.279 320 A HN 0.685 nan 8.150 nan 0.000 0.423 321 D N -0.207 120.187 120.400 -0.011 0.000 2.345 321 D HA 0.371 5.012 4.640 0.000 0.000 0.247 321 D C 1.125 177.412 176.300 -0.021 0.000 1.108 321 D CA 0.198 54.190 54.000 -0.013 0.000 0.894 321 D CB 1.257 42.053 40.800 -0.006 0.000 1.203 321 D HN 0.199 nan 8.370 nan 0.000 0.430 322 V N 3.747 123.647 119.914 -0.023 0.000 2.358 322 V HA -0.070 4.051 4.120 0.000 0.000 0.246 322 V C 2.274 178.348 176.094 -0.033 0.000 1.047 322 V CA 2.192 64.475 62.300 -0.030 0.000 1.035 322 V CB -0.865 30.941 31.823 -0.028 0.000 0.658 322 V HN 0.824 nan 8.190 nan 0.000 0.452 323 G N 0.125 108.912 108.800 -0.022 0.000 2.421 323 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 323 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 323 G C 1.661 176.548 174.900 -0.022 0.000 1.171 323 G CA 0.955 46.045 45.100 -0.017 0.000 0.775 323 G HN 0.578 nan 8.290 nan 0.000 0.543 324 G N 0.133 108.925 108.800 -0.013 0.000 2.440 324 G HA2 -0.173 3.787 3.960 0.000 0.000 0.218 324 G HA3 -0.173 3.787 3.960 0.000 0.000 0.218 324 G C 1.851 176.721 174.900 -0.050 0.000 1.154 324 G CA 1.808 46.899 45.100 -0.016 0.000 0.767 324 G HN 0.400 nan 8.290 nan 0.000 0.552 325 T N 1.250 115.767 114.554 -0.062 0.000 2.777 325 T HA -0.027 4.323 4.350 0.000 0.000 0.266 325 T C 2.392 176.991 174.700 -0.169 0.000 1.040 325 T CA 0.938 62.978 62.100 -0.099 0.000 1.141 325 T CB -0.148 68.670 68.868 -0.083 0.000 0.868 325 T HN 0.257 nan 8.240 nan 0.000 0.444 326 I N 1.058 121.539 120.570 -0.148 0.000 2.208 326 I HA -0.164 4.006 4.170 0.000 0.000 0.245 326 I C 2.739 178.747 176.117 -0.182 0.000 1.097 326 I CA 1.157 62.340 61.300 -0.195 0.000 1.363 326 I CB -0.344 37.603 38.000 -0.088 0.000 1.051 326 I HN 0.183 nan 8.210 nan 0.000 0.413 327 E N 0.972 121.108 120.200 -0.107 0.000 2.077 327 E HA -0.223 4.127 4.350 0.000 0.000 0.193 327 E C 2.352 178.889 176.600 -0.104 0.000 0.989 327 E CA 1.538 57.888 56.400 -0.083 0.000 0.800 327 E CB -0.341 29.327 29.700 -0.053 0.000 0.746 327 E HN 0.526 nan 8.360 nan 0.000 0.452 328 A N 1.228 123.978 122.820 -0.117 0.000 1.902 328 A HA -0.141 4.179 4.320 0.000 0.000 0.217 328 A C 2.406 179.900 177.584 -0.150 0.000 1.181 328 A CA 1.121 53.092 52.037 -0.109 0.000 0.623 328 A CB -0.704 18.240 19.000 -0.093 0.000 0.818 328 A HN 0.163 nan 8.150 nan 0.000 0.443 329 L N -0.891 120.158 121.223 -0.289 0.000 2.056 329 L HA -0.169 4.171 4.340 0.000 0.000 0.207 329 L C 3.109 179.797 176.870 -0.304 0.000 1.078 329 L CA 1.023 55.572 54.840 -0.485 0.000 0.749 329 L CB -0.518 40.813 42.059 -1.213 0.000 0.901 329 L HN 0.433 nan 8.230 nan 0.000 0.433 330 A N -0.611 122.075 122.820 -0.222 0.000 1.902 330 A HA -0.287 4.033 4.320 0.000 0.000 0.217 330 A C 2.262 179.848 177.584 0.004 0.000 1.181 330 A CA 1.872 53.897 52.037 -0.020 0.000 0.623 330 A CB -0.570 18.425 19.000 -0.008 0.000 0.818 330 A HN 0.489 nan 8.150 nan 0.000 0.443 331 Q N -0.691 119.093 119.800 -0.027 0.000 2.084 331 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 331 Q C 2.206 178.221 176.000 0.025 0.000 0.978 331 Q CA 1.496 57.296 55.803 -0.005 0.000 0.844 331 Q CB -0.312 28.412 28.738 -0.024 0.000 0.898 331 Q HN 0.616 nan 8.270 nan 0.000 0.426 332 A N 0.266 123.103 122.820 0.027 0.000 1.873 332 A HA -0.148 4.172 4.320 0.000 0.000 0.215 332 A C 2.164 179.836 177.584 0.147 0.000 1.186 332 A CA 1.872 53.955 52.037 0.076 0.000 0.616 332 A CB -0.950 18.095 19.000 0.074 0.000 0.823 332 A HN 0.612 nan 8.150 nan 0.000 0.442 333 T N -2.916 111.741 114.554 0.171 0.000 3.148 333 T HA 0.387 4.737 4.350 0.000 0.000 0.253 333 T C 1.401 176.205 174.700 0.173 0.000 1.134 333 T CA 0.916 63.164 62.100 0.247 0.000 1.051 333 T CB -0.003 68.970 68.868 0.176 0.000 0.959 333 T HN 0.469 nan 8.240 nan 0.000 0.525 334 A N 1.700 124.588 122.820 0.114 0.000 2.208 334 A HA 0.139 4.459 4.320 0.000 0.000 0.209 334 A C 1.950 179.585 177.584 0.085 0.000 1.161 334 A CA 0.473 52.561 52.037 0.084 0.000 0.782 334 A CB -0.264 18.768 19.000 0.052 0.000 0.816 334 A HN 0.746 nan 8.150 nan 0.000 0.477 335 Q N -0.134 119.726 119.800 0.101 0.000 2.057 335 Q HA 0.153 4.494 4.340 0.000 0.000 0.216 335 Q C -1.032 175.023 176.000 0.092 0.000 0.788 335 Q CA -0.254 55.597 55.803 0.081 0.000 1.053 335 Q CB 0.107 28.877 28.738 0.054 0.000 1.210 335 Q HN 0.511 nan 8.270 nan 0.000 0.455 336 D N 0.932 121.417 120.400 0.142 0.000 2.569 336 D HA 0.570 5.210 4.640 0.000 0.000 0.266 336 D C -0.202 176.160 176.300 0.104 0.000 1.164 336 D CA -0.709 53.365 54.000 0.122 0.000 1.071 336 D CB 0.679 41.577 40.800 0.162 0.000 1.183 336 D HN 0.161 nan 8.370 nan 0.000 0.613 337 A N -0.471 122.359 122.820 0.016 0.000 2.466 337 A HA 0.507 4.827 4.320 0.000 0.000 0.238 337 A C 0.685 178.273 177.584 0.007 0.000 1.074 337 A CA 0.020 52.046 52.037 -0.019 0.000 0.774 337 A CB -0.574 18.371 19.000 -0.093 0.000 1.015 337 A HN 0.852 nan 8.150 nan 0.000 0.498 338 A N 0.756 123.605 122.820 0.049 0.000 2.587 338 A HA 0.287 4.607 4.320 0.000 0.000 0.233 338 A C -0.278 177.342 177.584 0.059 0.000 1.049 338 A CA 0.350 52.462 52.037 0.124 0.000 0.754 338 A CB -0.308 18.742 19.000 0.083 0.000 0.977 338 A HN 0.685 nan 8.150 nan 0.000 0.509 339 W N 1.350 122.657 121.300 0.013 0.000 2.303 339 W HA 0.507 5.167 4.660 0.000 0.000 0.334 339 W C -1.843 174.683 176.519 0.011 0.000 1.197 339 W CA -1.661 55.691 57.345 0.013 0.000 1.262 339 W CB -0.143 29.321 29.460 0.006 0.000 1.153 339 W HN 0.471 nan 8.180 nan 0.000 0.596 340 P HA -0.093 nan 4.420 nan 0.000 0.265 340 P C -0.261 177.131 177.300 0.153 0.000 1.187 340 P CA 0.076 63.251 63.100 0.124 0.000 0.766 340 P CB 0.509 32.270 31.700 0.101 0.000 0.820 341 D N 2.582 123.045 120.400 0.106 0.000 2.390 341 D HA -0.001 4.640 4.640 0.000 0.000 0.249 341 D C 0.115 176.482 176.300 0.112 0.000 1.144 341 D CA 0.092 54.149 54.000 0.096 0.000 0.880 341 D CB 0.628 41.468 40.800 0.068 0.000 1.182 341 D HN 0.294 nan 8.370 nan 0.000 0.451 342 R N 2.590 123.163 120.500 0.121 0.000 2.652 342 R HA 0.179 4.519 4.340 0.000 0.000 0.372 342 R C 1.618 178.013 176.300 0.157 0.000 1.104 342 R CA -0.291 55.914 56.100 0.176 0.000 1.072 342 R CB 0.893 31.332 30.300 0.232 0.000 1.367 342 R HN 0.506 nan 8.270 nan 0.000 0.577 343 G N 1.463 110.321 108.800 0.098 0.000 2.446 343 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 343 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 343 G C 0.900 175.847 174.900 0.078 0.000 1.168 343 G CA 0.937 46.074 45.100 0.062 0.000 0.771 343 G HN 0.182 nan 8.290 nan 0.000 0.551 344 D N -0.684 119.784 120.400 0.113 0.000 2.117 344 D HA -0.111 4.529 4.640 0.000 0.000 0.197 344 D C 1.869 178.296 176.300 0.211 0.000 0.987 344 D CA 0.640 54.717 54.000 0.129 0.000 0.829 344 D CB -0.453 40.421 40.800 0.123 0.000 0.961 344 D HN 0.606 nan 8.370 nan 0.000 0.460 345 W N 0.943 122.268 121.300 0.041 0.000 2.379 345 W HA -0.227 4.434 4.660 0.000 0.000 0.307 345 W C 1.905 178.471 176.519 0.079 0.000 1.200 345 W CA 0.653 58.039 57.345 0.068 0.000 1.297 345 W CB -0.293 29.215 29.460 0.079 0.000 1.140 345 W HN -0.017 nan 8.180 nan 0.000 0.507 346 C N 0.974 120.232 119.300 -0.071 0.000 2.413 346 C HA -0.153 4.308 4.460 0.000 0.000 0.277 346 C C 3.169 178.059 174.990 -0.166 0.000 1.265 346 C CA 1.722 60.608 59.018 -0.220 0.000 1.752 346 C CB -1.608 26.063 27.740 -0.115 0.000 1.998 346 C HN 0.513 nan 8.230 nan 0.000 0.489 347 A N 0.391 123.171 122.820 -0.067 0.000 1.933 347 A HA -0.210 4.110 4.320 0.000 0.000 0.218 347 A C 2.067 179.612 177.584 -0.065 0.000 1.175 347 A CA 2.230 54.236 52.037 -0.052 0.000 0.628 347 A CB -0.470 18.524 19.000 -0.009 0.000 0.814 347 A HN 0.522 nan 8.150 nan 0.000 0.444 348 K N -0.023 120.348 120.400 -0.047 0.000 2.026 348 K HA -0.063 4.257 4.320 0.000 0.000 0.208 348 K C 1.722 178.210 176.600 -0.186 0.000 1.048 348 K CA 1.770 58.018 56.287 -0.064 0.000 0.929 348 K CB -0.817 31.742 32.500 0.098 0.000 0.713 348 K HN 0.177 nan 8.250 nan 0.000 0.439 349 V N 0.657 120.407 119.914 -0.273 0.000 2.252 349 V HA -0.323 3.797 4.120 0.000 0.000 0.249 349 V C 2.120 178.178 176.094 -0.060 0.000 1.056 349 V CA 2.491 64.719 62.300 -0.120 0.000 1.022 349 V CB -0.880 30.785 31.823 -0.263 0.000 0.641 349 V HN 0.472 nan 8.190 nan 0.000 0.445 350 T N -0.556 113.930 114.554 -0.113 0.000 2.684 350 T HA -0.212 4.139 4.350 0.000 0.000 0.267 350 T C 1.658 176.321 174.700 -0.061 0.000 1.036 350 T CA 1.798 63.846 62.100 -0.086 0.000 1.148 350 T CB -0.415 68.396 68.868 -0.095 0.000 0.863 350 T HN 0.482 nan 8.240 nan 0.000 0.436 351 D N 0.948 121.305 120.400 -0.072 0.000 2.097 351 D HA 0.001 4.641 4.640 0.000 0.000 0.195 351 D C 2.136 178.401 176.300 -0.059 0.000 0.989 351 D CA 0.723 54.688 54.000 -0.059 0.000 0.827 351 D CB -0.437 40.327 40.800 -0.061 0.000 0.966 351 D HN 0.298 nan 8.370 nan 0.000 0.456 352 L N 0.479 121.635 121.223 -0.113 0.000 2.083 352 L HA -0.143 4.197 4.340 0.000 0.000 0.209 352 L C 2.477 179.359 176.870 0.019 0.000 1.083 352 L CA 1.121 55.887 54.840 -0.123 0.000 0.752 352 L CB -0.398 41.415 42.059 -0.410 0.000 0.899 352 L HN -0.018 nan 8.230 nan 0.000 0.433 353 A N -0.417 122.444 122.820 0.068 0.000 1.902 353 A HA -0.283 4.037 4.320 0.000 0.000 0.217 353 A C 2.222 179.868 177.584 0.103 0.000 1.181 353 A CA 1.872 53.979 52.037 0.117 0.000 0.623 353 A CB -0.535 18.519 19.000 0.089 0.000 0.818 353 A HN 0.391 nan 8.150 nan 0.000 0.443 354 Q N 0.174 120.002 119.800 0.047 0.000 2.084 354 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 354 Q C 1.806 177.865 176.000 0.099 0.000 0.978 354 Q CA 2.259 58.094 55.803 0.053 0.000 0.844 354 Q CB -0.422 28.316 28.738 -0.001 0.000 0.898 354 Q HN 0.755 nan 8.270 nan 0.000 0.426 355 E N -0.303 119.934 120.200 0.061 0.000 2.085 355 E HA -0.228 4.123 4.350 0.000 0.000 0.194 355 E C 2.052 178.698 176.600 0.076 0.000 0.994 355 E CA 1.044 57.477 56.400 0.054 0.000 0.801 355 E CB -0.185 29.527 29.700 0.019 0.000 0.743 355 E HN 0.295 nan 8.360 nan 0.000 0.453 356 R N 0.072 120.633 120.500 0.101 0.000 2.070 356 R HA -0.198 4.142 4.340 0.000 0.000 0.233 356 R C 2.312 178.674 176.300 0.103 0.000 1.137 356 R CA 1.566 57.727 56.100 0.102 0.000 0.945 356 R CB -0.405 29.977 30.300 0.136 0.000 0.845 356 R HN 0.249 nan 8.270 nan 0.000 0.430 357 Y N 0.641 120.967 120.300 0.042 0.000 2.145 357 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 357 Y C 2.190 178.104 175.900 0.022 0.000 1.145 357 Y CA 1.912 60.052 58.100 0.067 0.000 1.148 357 Y CB -0.333 38.203 38.460 0.128 0.000 0.981 357 Y HN 0.239 nan 8.280 nan 0.000 0.507 358 A N -0.946 122.038 122.820 0.274 0.000 1.908 358 A HA -0.239 4.081 4.320 0.000 0.000 0.218 358 A C 2.449 180.036 177.584 0.005 0.000 1.181 358 A CA 1.996 54.126 52.037 0.155 0.000 0.627 358 A CB -1.412 17.666 19.000 0.131 0.000 0.818 358 A HN 0.522 nan 8.150 nan 0.000 0.445 359 S N -0.454 115.236 115.700 -0.017 0.000 2.368 359 S HA -0.132 4.338 4.470 0.000 0.000 0.225 359 S C 1.888 176.398 174.600 -0.151 0.000 1.030 359 S CA 1.514 59.680 58.200 -0.057 0.000 0.999 359 S CB -0.532 62.652 63.200 -0.027 0.000 0.844 359 S HN 0.491 nan 8.310 nan 0.000 0.459 360 I N 1.574 121.980 120.570 -0.273 0.000 2.252 360 I HA -0.125 4.045 4.170 0.000 0.000 0.245 360 I C 2.817 178.535 176.117 -0.666 0.000 1.102 360 I CA 1.086 62.077 61.300 -0.515 0.000 1.385 360 I CB -0.558 36.962 38.000 -0.800 0.000 1.064 360 I HN 0.360 nan 8.210 nan 0.000 0.414 361 A N 0.857 123.331 122.820 -0.577 0.000 1.908 361 A HA -0.191 4.130 4.320 0.000 0.000 0.218 361 A C 2.530 180.047 177.584 -0.112 0.000 1.181 361 A CA 1.962 53.863 52.037 -0.227 0.000 0.627 361 A CB -0.880 18.135 19.000 0.025 0.000 0.818 361 A HN 0.439 nan 8.150 nan 0.000 0.445 362 A N -0.889 121.871 122.820 -0.099 0.000 2.019 362 A HA -0.065 4.255 4.320 0.000 0.000 0.219 362 A C 2.165 179.704 177.584 -0.075 0.000 1.164 362 A CA 1.918 53.924 52.037 -0.053 0.000 0.644 362 A CB -0.302 18.678 19.000 -0.033 0.000 0.805 362 A HN 0.353 nan 8.150 nan 0.000 0.449 363 K N -0.021 120.301 120.400 -0.129 0.000 2.356 363 K HA 0.196 4.516 4.320 0.000 0.000 0.195 363 K C 0.568 177.064 176.600 -0.174 0.000 1.037 363 K CA 0.467 56.688 56.287 -0.108 0.000 1.014 363 K CB 0.265 32.719 32.500 -0.077 0.000 0.815 363 K HN 0.503 nan 8.250 nan 0.000 0.507 364 S N 1.230 116.724 115.700 -0.344 0.000 2.489 364 S HA 0.408 4.878 4.470 0.000 0.000 0.277 364 S C -0.244 174.109 174.600 -0.412 0.000 1.230 364 S CA -0.374 57.368 58.200 -0.764 0.000 1.053 364 S CB 1.275 63.749 63.200 -1.210 0.000 0.955 364 S HN 0.286 nan 8.310 nan 0.000 0.488 365 S N 2.001 117.549 115.700 -0.253 0.000 2.521 365 S HA 0.439 4.910 4.470 0.000 0.000 0.295 365 S C 0.004 174.684 174.600 0.132 0.000 1.098 365 S CA -0.702 57.515 58.200 0.029 0.000 0.999 365 S CB 1.236 64.442 63.200 0.010 0.000 1.034 365 S HN 0.469 nan 8.310 nan 0.000 0.483 366 S N 3.384 119.206 115.700 0.204 0.000 2.537 366 S HA 0.170 4.640 4.470 0.000 0.000 0.246 366 S C 1.232 175.837 174.600 0.010 0.000 1.036 366 S CA -0.443 57.854 58.200 0.161 0.000 1.041 366 S CB 0.103 63.443 63.200 0.234 0.000 0.799 366 S HN 0.842 nan 8.310 nan 0.000 0.456 367 E N 1.204 121.340 120.200 -0.106 0.000 2.077 367 E HA -0.184 4.167 4.350 0.000 0.000 0.193 367 E C 0.900 177.312 176.600 -0.313 0.000 0.989 367 E CA 1.367 57.593 56.400 -0.291 0.000 0.800 367 E CB 0.052 29.432 29.700 -0.533 0.000 0.746 367 E HN 0.724 nan 8.360 nan 0.000 0.452 368 H N -1.677 117.418 119.070 0.040 0.000 2.729 368 H HA 0.468 5.024 4.556 0.000 0.000 0.263 368 H C -0.127 175.215 175.328 0.022 0.000 0.961 368 H CA 0.056 56.120 56.048 0.027 0.000 1.217 368 H CB 1.321 31.098 29.762 0.025 0.000 1.447 368 H HN 0.105 nan 8.280 nan 0.000 0.496 369 A N 0.780 123.665 122.820 0.109 0.000 2.604 369 A HA 0.383 4.703 4.320 0.000 0.000 0.295 369 A C -1.695 175.919 177.584 0.051 0.000 1.067 369 A CA -0.857 51.217 52.037 0.063 0.000 0.683 369 A CB 0.878 19.909 19.000 0.052 0.000 1.281 369 A HN 0.103 nan 8.150 nan 0.000 0.407 370 L N 1.793 123.035 121.223 0.032 0.000 2.534 370 L HA 0.252 4.592 4.340 0.000 0.000 0.271 370 L C 0.354 177.237 176.870 0.021 0.000 1.178 370 L CA 0.782 55.653 54.840 0.052 0.000 0.907 370 L CB -0.469 41.603 42.059 0.021 0.000 1.164 370 L HN 0.777 nan 8.230 nan 0.000 0.482 371 H N 6.838 125.886 119.070 -0.036 0.000 2.683 371 H HA 0.223 4.779 4.556 0.000 0.000 0.339 371 H C -1.766 173.376 175.328 -0.309 0.000 1.081 371 H CA -1.069 54.849 56.048 -0.217 0.000 1.432 371 H CB 1.152 30.706 29.762 -0.347 0.000 1.462 371 H HN 0.549 nan 8.280 nan 0.000 0.557 372 P HA -0.208 nan 4.420 nan 0.000 0.217 372 P C 1.052 178.147 177.300 -0.342 0.000 1.148 372 P CA 1.218 63.977 63.100 -0.570 0.000 0.828 372 P CB -0.015 30.988 31.700 -1.163 0.000 0.783 373 F N -0.567 119.116 119.950 -0.444 0.000 2.113 373 F HA -0.220 4.308 4.527 0.000 0.000 0.297 373 F C 2.386 178.142 175.800 -0.073 0.000 1.103 373 F CA 1.528 59.398 58.000 -0.216 0.000 1.248 373 F CB -0.384 38.420 39.000 -0.328 0.000 0.999 373 F HN -0.036 nan 8.300 nan 0.000 0.475 374 H N 0.197 119.228 119.070 -0.065 0.000 2.353 374 H HA -0.072 4.484 4.556 0.000 0.000 0.300 374 H C 2.393 177.685 175.328 -0.060 0.000 1.090 374 H CA 1.175 57.153 56.048 -0.117 0.000 1.327 374 H CB -1.135 28.621 29.762 -0.010 0.000 1.383 374 H HN 0.404 nan 8.280 nan 0.000 0.508 375 A N 0.466 123.370 122.820 0.140 0.000 1.933 375 A HA -0.166 4.154 4.320 0.000 0.000 0.218 375 A C 2.699 180.427 177.584 0.241 0.000 1.175 375 A CA 1.845 54.041 52.037 0.264 0.000 0.628 375 A CB -0.590 18.476 19.000 0.109 0.000 0.814 375 A HN 0.376 nan 8.150 nan 0.000 0.444 376 S N -0.316 115.418 115.700 0.057 0.000 2.368 376 S HA -0.202 4.268 4.470 0.000 0.000 0.225 376 S C 2.072 176.632 174.600 -0.067 0.000 1.030 376 S CA 1.498 59.713 58.200 0.026 0.000 0.999 376 S CB -0.336 62.879 63.200 0.026 0.000 0.844 376 S HN 0.707 nan 8.310 nan 0.000 0.459 377 Q N 0.421 120.094 119.800 -0.213 0.000 2.124 377 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 377 Q C 2.264 178.198 176.000 -0.110 0.000 0.977 377 Q CA 1.279 56.968 55.803 -0.190 0.000 0.850 377 Q CB -0.385 28.205 28.738 -0.246 0.000 0.901 377 Q HN 0.366 nan 8.270 nan 0.000 0.429 378 V N 1.049 120.906 119.914 -0.096 0.000 2.332 378 V HA -0.283 3.838 4.120 0.000 0.000 0.248 378 V C 2.111 178.099 176.094 -0.176 0.000 1.055 378 V CA 1.684 63.868 62.300 -0.194 0.000 1.038 378 V CB -0.469 31.134 31.823 -0.367 0.000 0.651 378 V HN 0.346 nan 8.190 nan 0.000 0.450 379 I N 0.468 120.982 120.570 -0.093 0.000 2.179 379 I HA -0.228 3.942 4.170 0.000 0.000 0.242 379 I C 2.702 178.830 176.117 0.018 0.000 1.088 379 I CA 1.502 62.801 61.300 -0.002 0.000 1.357 379 I CB -0.700 37.351 38.000 0.086 0.000 1.051 379 I HN 0.274 nan 8.210 nan 0.000 0.409 380 A N 0.821 123.633 122.820 -0.014 0.000 1.948 380 A HA -0.264 4.057 4.320 0.000 0.000 0.220 380 A C 2.273 179.816 177.584 -0.068 0.000 1.177 380 A CA 1.769 53.790 52.037 -0.027 0.000 0.636 380 A CB -0.584 18.403 19.000 -0.022 0.000 0.815 380 A HN 0.365 nan 8.150 nan 0.000 0.449 381 K N -1.163 119.159 120.400 -0.130 0.000 2.211 381 K HA -0.165 4.155 4.320 0.000 0.000 0.204 381 K C 1.253 177.654 176.600 -0.332 0.000 1.047 381 K CA 1.407 57.542 56.287 -0.253 0.000 0.935 381 K CB -0.249 32.032 32.500 -0.364 0.000 0.728 381 K HN 0.678 nan 8.250 nan 0.000 0.452 382 H N -0.669 118.349 119.070 -0.087 0.000 2.551 382 H HA 0.120 4.676 4.556 0.000 0.000 0.271 382 H C -0.126 175.170 175.328 -0.053 0.000 0.984 382 H CA 0.042 56.045 56.048 -0.075 0.000 1.164 382 H CB 0.504 30.212 29.762 -0.089 0.000 1.437 382 H HN -0.141 nan 8.280 nan 0.000 0.550 383 V N 4.015 123.950 119.914 0.036 0.000 2.432 383 V HA 0.126 4.247 4.120 0.000 0.000 0.271 383 V C 0.111 176.200 176.094 -0.009 0.000 1.046 383 V CA -0.170 62.141 62.300 0.018 0.000 0.945 383 V CB 1.079 32.905 31.823 0.005 0.000 0.992 383 V HN 0.472 nan 8.190 nan 0.000 0.471 384 D N 4.011 124.410 120.400 -0.002 0.000 2.921 384 D HA 0.464 5.104 4.640 0.000 0.000 0.329 384 D C 0.871 177.167 176.300 -0.007 0.000 1.293 384 D CA -0.021 53.971 54.000 -0.014 0.000 0.964 384 D CB 1.139 41.928 40.800 -0.019 0.000 1.435 384 D HN 0.369 nan 8.370 nan 0.000 0.548 385 A N -0.524 122.289 122.820 -0.012 0.000 2.024 385 A HA 0.146 4.466 4.320 0.000 0.000 0.220 385 A C 1.877 179.459 177.584 -0.004 0.000 1.164 385 A CA 1.952 53.984 52.037 -0.008 0.000 0.643 385 A CB -1.447 17.546 19.000 -0.013 0.000 0.806 385 A HN 0.674 nan 8.150 nan 0.000 0.451 386 G N -1.374 107.425 108.800 -0.002 0.000 3.026 386 G HA2 0.379 4.339 3.960 0.000 0.000 0.208 386 G HA3 0.379 4.339 3.960 0.000 0.000 0.208 386 G C 0.001 174.904 174.900 0.005 0.000 1.169 386 G CA 0.512 45.612 45.100 0.001 0.000 0.788 386 G HN 0.267 nan 8.290 nan 0.000 0.533 387 V N 0.252 120.171 119.914 0.009 0.000 2.638 387 V HA 0.408 4.528 4.120 0.000 0.000 0.306 387 V C -0.428 175.679 176.094 0.023 0.000 1.052 387 V CA -0.678 61.632 62.300 0.016 0.000 0.885 387 V CB 2.126 33.964 31.823 0.024 0.000 0.999 387 V HN 0.037 nan 8.190 nan 0.000 0.424 388 T N 4.096 118.661 114.554 0.017 0.000 2.767 388 T HA 0.513 4.863 4.350 0.000 0.000 0.284 388 T C -0.258 174.463 174.700 0.035 0.000 0.973 388 T CA -0.283 61.832 62.100 0.024 0.000 0.996 388 T CB 1.379 70.243 68.868 -0.008 0.000 0.927 388 T HN 0.352 nan 8.240 nan 0.000 0.456 389 V N 4.780 124.751 119.914 0.095 0.000 2.370 389 V HA 0.389 4.509 4.120 0.000 0.000 0.279 389 V C 0.026 176.128 176.094 0.014 0.000 1.029 389 V CA -0.634 61.740 62.300 0.123 0.000 0.870 389 V CB 1.460 33.452 31.823 0.282 0.000 0.984 389 V HN 0.681 nan 8.190 nan 0.000 0.451 390 V N 4.132 123.995 119.914 -0.084 0.000 2.459 390 V HA 0.838 4.958 4.120 0.000 0.000 0.295 390 V C 0.287 176.238 176.094 -0.239 0.000 1.029 390 V CA -0.516 61.646 62.300 -0.230 0.000 0.874 390 V CB 1.656 33.352 31.823 -0.212 0.000 0.985 390 V HN 0.962 nan 8.190 nan 0.000 0.438 391 A N 3.088 125.669 122.820 -0.398 0.000 2.343 391 A HA 0.812 5.132 4.320 0.000 0.000 0.316 391 A C -0.792 176.497 177.584 -0.491 0.000 1.104 391 A CA -0.360 51.486 52.037 -0.319 0.000 0.768 391 A CB 1.521 20.371 19.000 -0.249 0.000 1.213 391 A HN 0.775 nan 8.150 nan 0.000 0.456 392 D N 0.654 120.875 120.400 -0.298 0.000 2.837 392 D HA 0.696 5.336 4.640 0.000 0.000 0.294 392 D C 0.684 177.044 176.300 0.100 0.000 1.158 392 D CA 0.914 54.739 54.000 -0.290 0.000 1.073 392 D CB 1.594 42.268 40.800 -0.210 0.000 1.419 392 D HN 1.557 nan 8.370 nan 0.000 0.584 393 G N -0.804 108.140 108.800 0.239 0.000 2.645 393 G HA2 0.237 4.198 3.960 0.000 0.000 0.239 393 G HA3 0.237 4.198 3.960 0.000 0.000 0.239 393 G C 0.179 175.342 174.900 0.438 0.000 1.331 393 G CA 0.814 46.081 45.100 0.279 0.000 0.890 393 G HN 1.033 nan 8.290 nan 0.000 0.572 394 A N -2.254 120.725 122.820 0.264 0.000 1.807 394 A HA 0.671 4.991 4.320 0.000 0.000 0.178 394 A C 2.368 179.848 177.584 -0.174 0.000 2.008 394 A CA 0.984 53.096 52.037 0.126 0.000 1.178 394 A CB -0.480 18.580 19.000 0.100 0.000 0.966 394 A HN 1.182 nan 8.150 nan 0.000 0.653 395 L N 0.754 121.921 121.223 -0.092 0.000 2.081 395 L HA -0.201 4.139 4.340 0.000 0.000 0.212 395 L C 2.663 179.567 176.870 0.055 0.000 1.080 395 L CA 1.902 56.685 54.840 -0.096 0.000 0.754 395 L CB -0.937 41.101 42.059 -0.034 0.000 0.893 395 L HN 0.474 nan 8.230 nan 0.000 0.433 396 T N -0.449 114.174 114.554 0.115 0.000 2.635 396 T HA -0.275 4.075 4.350 0.000 0.000 0.267 396 T C 1.672 176.489 174.700 0.195 0.000 1.040 396 T CA 2.316 64.522 62.100 0.178 0.000 1.156 396 T CB -0.476 68.474 68.868 0.136 0.000 0.863 396 T HN 0.593 nan 8.240 nan 0.000 0.430 397 Y N 1.008 121.371 120.300 0.105 0.000 2.395 397 Y HA 0.248 4.798 4.550 0.000 0.000 0.293 397 Y C 1.946 177.902 175.900 0.094 0.000 1.123 397 Y CA 0.315 58.458 58.100 0.072 0.000 1.227 397 Y CB -0.862 37.575 38.460 -0.039 0.000 1.012 397 Y HN 0.113 nan 8.280 nan 0.000 0.552 398 L N -0.973 119.961 121.223 -0.482 0.000 2.017 398 L HA -0.185 4.155 4.340 0.000 0.000 0.208 398 L C 2.278 179.075 176.870 -0.122 0.000 1.073 398 L CA 1.831 56.450 54.840 -0.370 0.000 0.745 398 L CB -0.716 41.029 42.059 -0.524 0.000 0.894 398 L HN 0.348 nan 8.230 nan 0.000 0.432 399 W N -0.295 121.010 121.300 0.008 0.000 2.355 399 W HA -0.223 4.437 4.660 0.001 0.000 0.309 399 W C 2.431 179.041 176.519 0.151 0.000 1.206 399 W CA 0.246 57.657 57.345 0.109 0.000 1.284 399 W CB -0.415 29.108 29.460 0.105 0.000 1.145 399 W HN 0.052 nan 8.180 nan 0.000 0.502 400 L N 1.230 122.675 121.223 0.369 0.000 2.043 400 L HA -0.284 4.057 4.340 0.000 0.000 0.212 400 L C 2.668 179.679 176.870 0.235 0.000 1.075 400 L CA 2.557 57.562 54.840 0.275 0.000 0.752 400 L CB -1.236 40.979 42.059 0.261 0.000 0.891 400 L HN 0.041 nan 8.230 nan 0.000 0.432 401 S N -1.395 114.456 115.700 0.252 0.000 2.402 401 S HA -0.211 4.260 4.470 0.000 0.000 0.233 401 S C 1.755 176.477 174.600 0.204 0.000 1.030 401 S CA 1.247 59.585 58.200 0.230 0.000 1.003 401 S CB -0.700 62.700 63.200 0.333 0.000 0.813 401 S HN 0.583 nan 8.310 nan 0.000 0.477 402 E N 1.157 121.516 120.200 0.266 0.000 2.268 402 E HA -0.032 4.319 4.350 0.000 0.000 0.195 402 E C 2.152 178.985 176.600 0.389 0.000 0.995 402 E CA 1.269 57.865 56.400 0.328 0.000 0.836 402 E CB -0.307 29.645 29.700 0.419 0.000 0.763 402 E HN 0.796 nan 8.360 nan 0.000 0.491 403 V N -3.113 116.974 119.914 0.289 0.000 3.660 403 V HA 0.118 4.238 4.120 0.000 0.000 0.276 403 V C 1.717 177.869 176.094 0.097 0.000 1.317 403 V CA 0.118 62.568 62.300 0.250 0.000 1.097 403 V CB 0.071 31.968 31.823 0.123 0.000 0.863 403 V HN -0.020 nan 8.190 nan 0.000 0.438 404 M N 0.511 120.121 119.600 0.016 0.000 2.447 404 M HA 0.134 4.614 4.480 0.000 0.000 0.264 404 M C 2.123 178.349 176.300 -0.124 0.000 1.095 404 M CA 0.984 56.192 55.300 -0.153 0.000 1.125 404 M CB -0.750 31.583 32.600 -0.445 0.000 1.389 404 M HN 0.481 nan 8.290 nan 0.000 0.459 405 S N 0.935 116.616 115.700 -0.032 0.000 2.406 405 S HA -0.041 4.429 4.470 0.000 0.000 0.228 405 S C 1.780 176.342 174.600 -0.063 0.000 1.020 405 S CA 0.752 58.930 58.200 -0.036 0.000 0.965 405 S CB -0.062 63.150 63.200 0.021 0.000 0.798 405 S HN 0.534 nan 8.310 nan 0.000 0.488 406 R N 1.352 121.818 120.500 -0.057 0.000 2.276 406 R HA 0.140 4.480 4.340 0.000 0.000 0.196 406 R C 0.829 177.071 176.300 -0.097 0.000 0.961 406 R CA 0.257 56.296 56.100 -0.101 0.000 1.024 406 R CB -0.704 29.495 30.300 -0.169 0.000 0.940 406 R HN 0.391 nan 8.270 nan 0.000 0.480 407 V N -0.742 119.122 119.914 -0.083 0.000 3.109 407 V HA 0.436 4.556 4.120 0.000 0.000 0.317 407 V C -0.380 175.666 176.094 -0.079 0.000 1.074 407 V CA -1.206 61.047 62.300 -0.079 0.000 1.033 407 V CB 1.562 33.344 31.823 -0.067 0.000 1.111 407 V HN 0.005 nan 8.190 nan 0.000 0.458 408 K N 2.448 122.809 120.400 -0.064 0.000 2.562 408 K HA 0.435 4.755 4.320 0.000 0.000 0.206 408 K C -2.797 173.782 176.600 -0.035 0.000 1.033 408 K CA -1.509 54.745 56.287 -0.054 0.000 1.029 408 K CB 1.234 33.703 32.500 -0.052 0.000 1.393 408 K HN 0.591 nan 8.250 nan 0.000 0.539 409 P HA -0.006 nan 4.420 nan 0.000 0.271 409 P C 0.688 177.997 177.300 0.015 0.000 1.218 409 P CA 0.017 63.120 63.100 0.004 0.000 0.780 409 P CB 1.323 33.040 31.700 0.029 0.000 0.901 410 G N 2.011 110.822 108.800 0.017 0.000 2.422 410 G HA2 0.104 4.064 3.960 0.000 0.000 0.218 410 G HA3 0.104 4.064 3.960 0.000 0.000 0.218 410 G C 0.664 175.577 174.900 0.022 0.000 1.146 410 G CA 0.698 45.805 45.100 0.011 0.000 0.769 410 G HN 0.807 nan 8.290 nan 0.000 0.547 411 G N -1.603 107.225 108.800 0.048 0.000 2.733 411 G HA2 0.487 4.447 3.960 0.000 0.000 0.297 411 G HA3 0.487 4.447 3.960 0.000 0.000 0.297 411 G C -2.113 172.883 174.900 0.159 0.000 1.422 411 G CA -0.712 44.426 45.100 0.063 0.000 0.942 411 G HN 0.179 nan 8.290 nan 0.000 0.510 412 F N 2.275 122.205 119.950 -0.032 0.000 2.671 412 F HA 0.604 5.131 4.527 0.000 0.000 0.332 412 F C -1.273 174.495 175.800 -0.054 0.000 1.189 412 F CA -1.239 56.740 58.000 -0.035 0.000 0.988 412 F CB 1.396 40.395 39.000 -0.002 0.000 1.258 412 F HN 0.306 nan 8.300 nan 0.000 0.471 413 L N 7.160 128.040 121.223 -0.572 0.000 2.318 413 L HA 0.482 4.822 4.340 0.000 0.000 0.277 413 L C -0.400 175.995 176.870 -0.793 0.000 1.008 413 L CA -0.582 53.934 54.840 -0.540 0.000 0.846 413 L CB 1.209 43.080 42.059 -0.315 0.000 1.220 413 L HN 0.660 nan 8.230 nan 0.000 0.423 414 C N 1.416 120.211 119.300 -0.840 0.000 2.668 414 C HA 0.479 4.939 4.460 0.000 0.000 0.355 414 C C 0.559 175.172 174.990 -0.627 0.000 1.277 414 C CA -0.494 57.975 59.018 -0.914 0.000 1.787 414 C CB 1.337 28.369 27.740 -1.180 0.000 2.233 414 C HN 0.776 nan 8.230 nan 0.000 0.495 415 H N 0.156 118.836 119.070 -0.651 0.000 3.038 415 H HA 0.342 4.898 4.556 0.000 0.000 0.338 415 H C 0.838 176.041 175.328 -0.209 0.000 1.041 415 H CA 1.306 57.095 56.048 -0.432 0.000 1.394 415 H CB 0.569 30.020 29.762 -0.518 0.000 1.357 415 H HN 0.832 nan 8.280 nan 0.000 0.600 416 G N 1.031 109.844 108.800 0.022 0.000 2.849 416 G HA2 -0.009 3.952 3.960 0.000 0.000 0.174 416 G HA3 -0.009 3.952 3.960 0.000 0.000 0.174 416 G C -0.109 174.871 174.900 0.133 0.000 1.370 416 G CA -0.443 44.663 45.100 0.009 0.000 1.040 416 G HN 0.584 nan 8.290 nan 0.000 0.582 417 Y N -0.586 119.728 120.300 0.023 0.000 2.274 417 Y HA -0.023 4.527 4.550 0.000 0.000 0.290 417 Y C 2.648 178.557 175.900 0.016 0.000 1.145 417 Y CA 0.208 58.323 58.100 0.025 0.000 1.203 417 Y CB -0.765 37.706 38.460 0.017 0.000 0.984 417 Y HN 0.201 nan 8.280 nan 0.000 0.533 418 L N 0.140 121.460 121.223 0.161 0.000 2.131 418 L HA 0.060 4.400 4.340 0.000 0.000 0.210 418 L C 1.766 178.626 176.870 -0.016 0.000 1.092 418 L CA 1.637 56.523 54.840 0.077 0.000 0.759 418 L CB -0.954 41.142 42.059 0.062 0.000 0.903 418 L HN 0.364 nan 8.230 nan 0.000 0.435 419 G N -0.107 108.649 108.800 -0.073 0.000 2.323 419 G HA2 -0.313 3.647 3.960 0.000 0.000 0.292 419 G HA3 -0.313 3.647 3.960 0.000 0.000 0.292 419 G C 0.400 175.044 174.900 -0.427 0.000 1.040 419 G CA 0.648 45.568 45.100 -0.301 0.000 0.942 419 G HN 0.543 nan 8.290 nan 0.000 0.506 420 S N 0.696 116.189 115.700 -0.344 0.000 2.399 420 S HA 0.562 5.032 4.470 0.000 0.000 0.301 420 S C 1.230 175.652 174.600 -0.298 0.000 1.093 420 S CA -0.792 57.250 58.200 -0.263 0.000 1.077 420 S CB -0.059 63.053 63.200 -0.147 0.000 0.980 420 S HN 0.316 nan 8.310 nan 0.000 0.494 421 M N 3.816 123.227 119.600 -0.315 0.000 2.260 421 M HA 0.151 4.632 4.480 0.000 0.000 0.348 421 M C 1.622 177.583 176.300 -0.564 0.000 1.342 421 M CA 1.233 56.416 55.300 -0.195 0.000 1.040 421 M CB -0.579 32.039 32.600 0.030 0.000 1.810 421 M HN 1.003 nan 8.290 nan 0.000 0.453 422 G N 1.938 110.579 108.800 -0.264 0.000 2.238 422 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 422 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 422 G C 0.520 175.276 174.900 -0.240 0.000 0.996 422 G CA 0.397 45.317 45.100 -0.301 0.000 0.632 422 G HN 0.794 nan 8.290 nan 0.000 0.503 423 V N 0.030 119.732 119.914 -0.353 0.000 2.913 423 V HA 0.332 4.452 4.120 0.000 0.000 0.260 423 V C 2.466 178.286 176.094 -0.458 0.000 1.098 423 V CA 2.232 64.112 62.300 -0.700 0.000 1.121 423 V CB -0.833 30.482 31.823 -0.847 0.000 0.714 423 V HN 1.016 nan 8.190 nan 0.000 0.487 424 G N -0.718 107.913 108.800 -0.283 0.000 2.432 424 G HA2 -0.219 3.742 3.960 0.000 0.000 0.219 424 G HA3 -0.219 3.742 3.960 0.000 0.000 0.219 424 G C 1.301 176.128 174.900 -0.122 0.000 1.135 424 G CA 0.980 45.931 45.100 -0.249 0.000 0.767 424 G HN 0.505 nan 8.290 nan 0.000 0.550 425 F N 2.255 122.094 119.950 -0.186 0.000 2.084 425 F HA 0.097 4.624 4.527 0.000 0.000 0.296 425 F C 2.669 178.384 175.800 -0.141 0.000 1.111 425 F CA 1.145 59.045 58.000 -0.167 0.000 1.224 425 F CB -0.775 38.127 39.000 -0.163 0.000 0.991 425 F HN 0.129 nan 8.300 nan 0.000 0.471 426 G N -1.067 107.833 108.800 0.166 0.000 2.446 426 G HA2 -0.266 3.695 3.960 0.000 0.000 0.217 426 G HA3 -0.266 3.695 3.960 0.000 0.000 0.217 426 G C 1.684 176.593 174.900 0.015 0.000 1.168 426 G CA 1.517 46.668 45.100 0.085 0.000 0.771 426 G HN 0.375 nan 8.290 nan 0.000 0.551 427 T N 1.704 116.242 114.554 -0.027 0.000 2.665 427 T HA -0.097 4.253 4.350 0.000 0.000 0.268 427 T C 2.791 177.432 174.700 -0.099 0.000 1.035 427 T CA 1.841 63.885 62.100 -0.094 0.000 1.151 427 T CB -0.439 68.330 68.868 -0.166 0.000 0.862 427 T HN 0.399 nan 8.240 nan 0.000 0.438 428 A N 0.831 123.600 122.820 -0.085 0.000 1.930 428 A HA 0.069 4.389 4.320 0.000 0.000 0.217 428 A C 2.298 179.869 177.584 -0.023 0.000 1.175 428 A CA 1.155 53.144 52.037 -0.079 0.000 0.627 428 A CB -0.830 18.095 19.000 -0.125 0.000 0.815 428 A HN 0.495 nan 8.150 nan 0.000 0.443 429 L N -0.479 120.762 121.223 0.031 0.000 2.012 429 L HA -0.121 4.220 4.340 0.000 0.000 0.210 429 L C 2.500 179.398 176.870 0.048 0.000 1.073 429 L CA 1.780 56.663 54.840 0.071 0.000 0.748 429 L CB -0.568 41.555 42.059 0.107 0.000 0.891 429 L HN 0.398 nan 8.230 nan 0.000 0.431 430 G N -1.199 107.550 108.800 -0.085 0.000 2.402 430 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 430 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 430 G C 1.639 176.546 174.900 0.013 0.000 1.162 430 G CA 0.675 45.645 45.100 -0.217 0.000 0.777 430 G HN 0.582 nan 8.290 nan 0.000 0.539 431 A N 0.386 123.184 122.820 -0.037 0.000 1.917 431 A HA -0.183 4.137 4.320 0.000 0.000 0.219 431 A C 2.321 179.905 177.584 0.001 0.000 1.182 431 A CA 2.411 54.428 52.037 -0.034 0.000 0.633 431 A CB -0.512 18.451 19.000 -0.063 0.000 0.819 431 A HN 0.425 nan 8.150 nan 0.000 0.448 432 Q N -0.168 119.647 119.800 0.024 0.000 2.124 432 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 432 Q C 1.839 177.875 176.000 0.061 0.000 0.977 432 Q CA 1.969 57.795 55.803 0.038 0.000 0.850 432 Q CB -0.578 28.188 28.738 0.046 0.000 0.901 432 Q HN 0.371 nan 8.270 nan 0.000 0.429 433 V N 0.635 120.621 119.914 0.120 0.000 2.261 433 V HA -0.284 3.836 4.120 0.000 0.000 0.246 433 V C 2.299 178.427 176.094 0.056 0.000 1.047 433 V CA 1.873 64.243 62.300 0.117 0.000 1.015 433 V CB -1.394 30.577 31.823 0.248 0.000 0.642 433 V HN 0.521 nan 8.190 nan 0.000 0.446 434 A N -0.256 122.605 122.820 0.069 0.000 1.940 434 A HA -0.276 4.045 4.320 0.000 0.000 0.219 434 A C 1.954 179.479 177.584 -0.099 0.000 1.176 434 A CA 2.157 54.084 52.037 -0.184 0.000 0.631 434 A CB -0.623 18.124 19.000 -0.422 0.000 0.814 434 A HN 0.548 nan 8.150 nan 0.000 0.446 435 D N -0.650 119.722 120.400 -0.046 0.000 2.269 435 D HA -0.035 4.605 4.640 0.000 0.000 0.208 435 D C 1.695 177.993 176.300 -0.005 0.000 0.963 435 D CA 0.337 54.321 54.000 -0.028 0.000 0.864 435 D CB -0.175 40.616 40.800 -0.015 0.000 0.936 435 D HN 0.224 nan 8.370 nan 0.000 0.505 436 L N 1.485 122.714 121.223 0.010 0.000 1.978 436 L HA -0.242 4.098 4.340 0.000 0.000 0.218 436 L C 2.672 179.560 176.870 0.028 0.000 1.075 436 L CA 2.378 57.235 54.840 0.027 0.000 0.767 436 L CB -1.380 40.705 42.059 0.043 0.000 0.890 436 L HN 0.187 nan 8.230 nan 0.000 0.434 437 E N -1.192 119.026 120.200 0.032 0.000 2.338 437 E HA 0.073 4.424 4.350 0.000 0.000 0.197 437 E C 2.027 178.636 176.600 0.015 0.000 1.007 437 E CA 1.074 57.495 56.400 0.035 0.000 0.849 437 E CB -0.710 29.022 29.700 0.053 0.000 0.774 437 E HN 0.577 nan 8.360 nan 0.000 0.506 438 A N -1.096 121.725 122.820 0.001 0.000 2.267 438 A HA 0.509 4.829 4.320 0.000 0.000 0.213 438 A C 2.255 179.839 177.584 -0.001 0.000 1.192 438 A CA 1.102 53.136 52.037 -0.006 0.000 0.851 438 A CB -0.266 18.721 19.000 -0.021 0.000 0.881 438 A HN 1.467 nan 8.150 nan 0.000 0.494 439 G N -0.265 108.538 108.800 0.006 0.000 2.168 439 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 439 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 439 G C 0.309 175.212 174.900 0.005 0.000 0.997 439 G CA 0.525 45.630 45.100 0.008 0.000 0.708 439 G HN 0.624 nan 8.290 nan 0.000 0.520 440 R N -0.786 119.715 120.500 0.001 0.000 2.500 440 R HA 0.632 4.972 4.340 0.000 0.000 0.277 440 R C 0.300 176.603 176.300 0.005 0.000 1.026 440 R CA -0.825 55.275 56.100 0.000 0.000 1.058 440 R CB 0.763 31.059 30.300 -0.006 0.000 1.078 440 R HN 0.138 nan 8.270 nan 0.000 0.509 441 R N 0.429 120.932 120.500 0.005 0.000 2.393 441 R HA 0.240 4.581 4.340 0.000 0.000 0.310 441 R C -1.143 175.159 176.300 0.003 0.000 0.968 441 R CA -0.154 55.950 56.100 0.006 0.000 0.867 441 R CB 1.467 31.768 30.300 0.002 0.000 1.124 441 R HN 0.534 nan 8.270 nan 0.000 0.450 442 T N 5.401 119.956 114.554 0.003 0.000 2.799 442 T HA 0.501 4.851 4.350 0.000 0.000 0.286 442 T C 0.071 174.763 174.700 -0.013 0.000 0.973 442 T CA -0.363 61.733 62.100 -0.008 0.000 1.035 442 T CB 0.548 69.408 68.868 -0.013 0.000 0.932 442 T HN 0.420 nan 8.240 nan 0.000 0.469 443 I N 3.652 124.212 120.570 -0.017 0.000 2.410 443 I HA 0.333 4.503 4.170 0.000 0.000 0.286 443 I C -0.769 175.321 176.117 -0.044 0.000 1.009 443 I CA -1.029 60.259 61.300 -0.020 0.000 1.111 443 I CB 1.719 39.721 38.000 0.003 0.000 1.262 443 I HN 0.351 nan 8.210 nan 0.000 0.443 444 L N 8.761 129.931 121.223 -0.089 0.000 2.276 444 L HA 0.500 4.840 4.340 0.000 0.000 0.286 444 L C -0.632 176.182 176.870 -0.093 0.000 1.061 444 L CA -0.092 54.663 54.840 -0.140 0.000 0.807 444 L CB 1.347 43.245 42.059 -0.268 0.000 1.177 444 L HN 0.325 nan 8.230 nan 0.000 0.429 445 V N 5.093 124.968 119.914 -0.064 0.000 2.334 445 V HA 0.583 4.704 4.120 0.000 0.000 0.281 445 V C 0.195 176.264 176.094 -0.042 0.000 1.016 445 V CA -0.309 61.983 62.300 -0.014 0.000 0.832 445 V CB 0.921 32.781 31.823 0.062 0.000 0.999 445 V HN 0.923 nan 8.190 nan 0.000 0.439 446 T N 3.199 117.719 114.554 -0.056 0.000 2.887 446 T HA 0.761 5.111 4.350 0.000 0.000 0.292 446 T C 0.157 174.835 174.700 -0.037 0.000 1.087 446 T CA 0.100 62.166 62.100 -0.056 0.000 1.009 446 T CB 1.949 70.749 68.868 -0.114 0.000 1.203 446 T HN 0.847 nan 8.240 nan 0.000 0.518 447 G N 0.527 109.320 108.800 -0.012 0.000 2.451 447 G HA2 0.363 4.323 3.960 0.000 0.000 0.303 447 G HA3 0.363 4.323 3.960 0.000 0.000 0.303 447 G C 0.880 175.686 174.900 -0.157 0.000 1.166 447 G CA -0.164 44.914 45.100 -0.037 0.000 0.884 447 G HN 0.821 nan 8.290 nan 0.000 0.514 448 D N 0.465 120.727 120.400 -0.230 0.000 2.144 448 D HA -0.119 4.521 4.640 0.000 0.000 0.199 448 D C 2.095 178.101 176.300 -0.490 0.000 0.984 448 D CA 1.379 55.100 54.000 -0.465 0.000 0.834 448 D CB -0.724 39.922 40.800 -0.257 0.000 0.955 448 D HN 0.465 nan 8.370 nan 0.000 0.465 449 G N 0.728 109.252 108.800 -0.460 0.000 2.484 449 G HA2 -0.254 3.706 3.960 0.000 0.000 0.215 449 G HA3 -0.254 3.706 3.960 0.000 0.000 0.215 449 G C 1.895 176.653 174.900 -0.237 0.000 1.219 449 G CA 1.347 45.903 45.100 -0.907 0.000 0.791 449 G HN 0.352 nan 8.290 nan 0.000 0.550 450 S N -0.242 115.544 115.700 0.143 0.000 2.383 450 S HA -0.139 4.332 4.470 0.000 0.000 0.229 450 S C 2.309 177.080 174.600 0.284 0.000 1.030 450 S CA 1.099 59.516 58.200 0.361 0.000 1.002 450 S CB -0.400 62.937 63.200 0.228 0.000 0.829 450 S HN 0.171 nan 8.310 nan 0.000 0.467 451 V N 1.994 121.950 119.914 0.070 0.000 2.594 451 V HA -0.101 4.019 4.120 0.000 0.000 0.253 451 V C 2.212 178.434 176.094 0.213 0.000 1.069 451 V CA 1.848 64.215 62.300 0.111 0.000 1.082 451 V CB -1.063 30.732 31.823 -0.047 0.000 0.680 451 V HN 0.562 nan 8.190 nan 0.000 0.469 452 G N -1.733 107.151 108.800 0.141 0.000 2.448 452 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 452 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 452 G C 1.323 176.320 174.900 0.161 0.000 1.127 452 G CA 1.008 46.205 45.100 0.162 0.000 0.766 452 G HN 0.581 nan 8.290 nan 0.000 0.552 453 Y N 1.177 121.568 120.300 0.153 0.000 2.207 453 Y HA -0.062 4.489 4.550 0.000 0.000 0.287 453 Y C 2.250 178.167 175.900 0.028 0.000 1.156 453 Y CA 1.695 59.859 58.100 0.108 0.000 1.182 453 Y CB 0.323 38.842 38.460 0.098 0.000 0.979 453 Y HN 0.152 nan 8.280 nan 0.000 0.521 454 S N -1.077 114.725 115.700 0.171 0.000 2.941 454 S HA 0.167 4.638 4.470 0.000 0.000 0.251 454 S C 1.190 175.615 174.600 -0.292 0.000 1.029 454 S CA -0.323 57.832 58.200 -0.076 0.000 1.062 454 S CB -0.039 63.083 63.200 -0.130 0.000 0.977 454 S HN 0.339 nan 8.310 nan 0.000 0.552 455 I N 1.989 122.551 120.570 -0.012 0.000 2.454 455 I HA -0.099 4.072 4.170 0.000 0.000 0.254 455 I C 2.186 178.271 176.117 -0.053 0.000 1.156 455 I CA 1.028 62.395 61.300 0.111 0.000 1.433 455 I CB -0.102 38.122 38.000 0.375 0.000 1.082 455 I HN 0.497 nan 8.210 nan 0.000 0.432 456 G N 0.059 108.764 108.800 -0.159 0.000 2.498 456 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 456 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 456 G C 1.340 175.841 174.900 -0.664 0.000 1.119 456 G CA 0.288 45.136 45.100 -0.420 0.000 0.766 456 G HN 0.357 nan 8.290 nan 0.000 0.552 457 E N 0.264 120.018 120.200 -0.744 0.000 2.409 457 E HA -0.022 4.329 4.350 0.000 0.000 0.198 457 E C 1.830 178.077 176.600 -0.588 0.000 1.024 457 E CA 0.028 55.956 56.400 -0.786 0.000 0.861 457 E CB -0.340 28.683 29.700 -1.129 0.000 0.788 457 E HN 0.614 nan 8.360 nan 0.000 0.521 458 F N 1.435 121.154 119.950 -0.385 0.000 2.154 458 F HA -0.247 4.281 4.527 0.001 0.000 0.301 458 F C 2.266 177.957 175.800 -0.181 0.000 1.087 458 F CA 1.371 59.331 58.000 -0.066 0.000 1.274 458 F CB -0.140 38.941 39.000 0.136 0.000 1.009 458 F HN 0.060 nan 8.300 nan 0.000 0.485 459 D N -0.282 119.871 120.400 -0.411 0.000 2.104 459 D HA -0.175 4.465 4.640 0.000 0.000 0.194 459 D C 2.057 178.322 176.300 -0.058 0.000 0.994 459 D CA 2.111 55.976 54.000 -0.226 0.000 0.830 459 D CB -0.267 40.299 40.800 -0.389 0.000 0.959 459 D HN 0.109 nan 8.370 nan 0.000 0.452 460 T N 0.201 114.688 114.554 -0.110 0.000 2.746 460 T HA -0.097 4.253 4.350 0.000 0.000 0.267 460 T C 2.084 176.805 174.700 0.035 0.000 1.039 460 T CA 0.912 62.993 62.100 -0.031 0.000 1.142 460 T CB -0.338 68.496 68.868 -0.056 0.000 0.866 460 T HN 0.166 nan 8.240 nan 0.000 0.444 461 L N 0.706 121.964 121.223 0.059 0.000 2.042 461 L HA -0.114 4.226 4.340 0.000 0.000 0.210 461 L C 2.664 179.613 176.870 0.132 0.000 1.076 461 L CA 1.053 55.969 54.840 0.127 0.000 0.749 461 L CB -0.804 41.379 42.059 0.207 0.000 0.893 461 L HN 0.167 nan 8.230 nan 0.000 0.432 462 V N -0.356 119.643 119.914 0.141 0.000 2.323 462 V HA -0.212 3.908 4.120 0.000 0.000 0.244 462 V C 2.576 178.728 176.094 0.097 0.000 1.041 462 V CA 1.538 63.918 62.300 0.132 0.000 1.025 462 V CB -0.588 31.330 31.823 0.157 0.000 0.656 462 V HN 0.389 nan 8.190 nan 0.000 0.451 463 R N 0.359 120.909 120.500 0.082 0.000 2.105 463 R HA -0.125 4.215 4.340 0.000 0.000 0.239 463 R C 1.866 178.203 176.300 0.062 0.000 1.135 463 R CA 1.046 57.186 56.100 0.066 0.000 0.967 463 R CB -0.188 30.145 30.300 0.054 0.000 0.861 463 R HN 0.366 nan 8.270 nan 0.000 0.442 464 K N 0.425 120.865 120.400 0.066 0.000 2.358 464 K HA 0.069 4.389 4.320 0.000 0.000 0.197 464 K C 0.048 176.690 176.600 0.070 0.000 1.025 464 K CA 0.107 56.432 56.287 0.063 0.000 1.104 464 K CB 0.546 33.084 32.500 0.064 0.000 0.855 464 K HN 0.200 nan 8.250 nan 0.000 0.531 465 Q N 0.794 120.642 119.800 0.079 0.000 2.435 465 Q HA -0.181 4.159 4.340 0.000 0.000 0.312 465 Q C -0.826 175.226 176.000 0.086 0.000 1.333 465 Q CA 0.330 56.183 55.803 0.083 0.000 0.883 465 Q CB -1.903 26.878 28.738 0.071 0.000 1.170 465 Q HN 0.278 nan 8.270 nan 0.000 0.443 466 L N 1.803 123.084 121.223 0.096 0.000 2.260 466 L HA 0.264 4.604 4.340 0.000 0.000 0.289 466 L C -1.291 175.642 176.870 0.106 0.000 1.057 466 L CA -1.812 53.086 54.840 0.095 0.000 0.811 466 L CB 0.646 42.766 42.059 0.101 0.000 1.184 466 L HN -0.022 nan 8.230 nan 0.000 0.429 467 P HA 0.011 nan 4.420 nan 0.000 0.243 467 P C -0.049 177.305 177.300 0.090 0.000 1.668 467 P CA -0.372 62.787 63.100 0.099 0.000 0.898 467 P CB 0.067 31.818 31.700 0.084 0.000 1.637 468 L N 0.846 122.123 121.223 0.090 0.000 2.540 468 L HA 0.053 4.393 4.340 0.000 0.000 0.276 468 L C 0.060 176.976 176.870 0.077 0.000 1.212 468 L CA 0.398 55.274 54.840 0.060 0.000 0.893 468 L CB -0.256 41.828 42.059 0.042 0.000 1.138 468 L HN -0.028 nan 8.230 nan 0.000 0.491 469 I N 6.061 126.655 120.570 0.040 0.000 2.304 469 I HA 0.215 4.385 4.170 0.000 0.000 0.291 469 I C -0.516 175.606 176.117 0.008 0.000 1.018 469 I CA -0.584 60.749 61.300 0.055 0.000 1.260 469 I CB 1.208 39.224 38.000 0.026 0.000 1.390 469 I HN 0.268 nan 8.210 nan 0.000 0.475 470 V N 8.062 128.005 119.914 0.049 0.000 2.318 470 V HA 0.341 4.461 4.120 0.000 0.000 0.271 470 V C 0.283 176.403 176.094 0.043 0.000 1.030 470 V CA -0.360 61.910 62.300 -0.050 0.000 0.844 470 V CB 0.877 32.621 31.823 -0.132 0.000 1.015 470 V HN 0.476 nan 8.190 nan 0.000 0.460 471 I N 6.323 126.894 120.570 0.001 0.000 2.304 471 I HA 0.410 4.580 4.170 0.000 0.000 0.291 471 I C -0.217 175.880 176.117 -0.033 0.000 1.018 471 I CA -0.228 61.085 61.300 0.023 0.000 1.260 471 I CB 1.179 39.231 38.000 0.087 0.000 1.390 471 I HN 0.434 nan 8.210 nan 0.000 0.475 472 I N 6.883 127.429 120.570 -0.039 0.000 2.297 472 I HA 0.224 4.395 4.170 0.000 0.000 0.291 472 I C 0.061 176.117 176.117 -0.103 0.000 1.033 472 I CA -0.416 60.837 61.300 -0.078 0.000 1.253 472 I CB 0.799 38.750 38.000 -0.083 0.000 1.396 472 I HN 0.410 nan 8.210 nan 0.000 0.476 473 M N 5.649 125.192 119.600 -0.095 0.000 2.264 473 M HA 0.137 4.617 4.480 0.000 0.000 0.340 473 M C -0.127 176.132 176.300 -0.070 0.000 1.420 473 M CA 0.120 55.364 55.300 -0.094 0.000 1.254 473 M CB -0.406 32.166 32.600 -0.048 0.000 1.575 473 M HN 0.411 nan 8.290 nan 0.000 0.452 474 N N 3.882 122.550 118.700 -0.053 0.000 2.527 474 N HA 0.149 4.889 4.740 0.000 0.000 0.236 474 N C -0.171 175.343 175.510 0.006 0.000 0.999 474 N CA -0.159 52.887 53.050 -0.006 0.000 0.935 474 N CB 0.427 38.960 38.487 0.077 0.000 1.132 474 N HN 0.447 nan 8.380 nan 0.000 0.511 475 N N 2.278 120.977 118.700 -0.001 0.000 2.275 475 N HA 0.047 4.787 4.740 0.000 0.000 0.236 475 N C -0.531 174.994 175.510 0.024 0.000 1.154 475 N CA -0.206 52.851 53.050 0.013 0.000 0.866 475 N CB 0.020 38.515 38.487 0.013 0.000 1.093 475 N HN 0.444 nan 8.380 nan 0.000 0.515 476 Q N -0.344 119.471 119.800 0.025 0.000 2.453 476 Q HA -0.208 4.132 4.340 0.000 0.000 0.294 476 Q C -1.001 174.998 176.000 -0.002 0.000 1.295 476 Q CA 1.116 56.933 55.803 0.024 0.000 0.853 476 Q CB -2.182 26.580 28.738 0.040 0.000 1.193 476 Q HN 0.812 nan 8.270 nan 0.000 0.461 477 S N -2.732 112.942 115.700 -0.043 0.000 2.595 477 S HA 0.495 4.966 4.470 0.000 0.000 0.270 477 S C -1.147 173.417 174.600 -0.061 0.000 1.145 477 S CA -1.153 57.033 58.200 -0.024 0.000 0.825 477 S CB 0.534 63.779 63.200 0.076 0.000 1.107 477 S HN 0.332 nan 8.310 nan 0.000 0.461 478 W N 1.952 123.292 121.300 0.067 0.000 2.510 478 W HA 0.485 5.146 4.660 0.001 0.000 0.388 478 W C 1.465 178.008 176.519 0.040 0.000 1.092 478 W CA -0.051 57.330 57.345 0.060 0.000 1.562 478 W CB 0.243 29.743 29.460 0.067 0.000 1.603 478 W HN 1.067 nan 8.180 nan 0.000 0.396 479 G N 1.706 110.618 108.800 0.186 0.000 2.434 479 G HA2 -0.212 3.749 3.960 0.000 0.000 0.214 479 G HA3 -0.212 3.749 3.960 0.000 0.000 0.214 479 G C 1.666 176.528 174.900 -0.062 0.000 1.202 479 G CA 0.994 46.113 45.100 0.031 0.000 0.788 479 G HN 0.541 nan 8.290 nan 0.000 0.539 480 A N 0.746 123.544 122.820 -0.038 0.000 1.933 480 A HA -0.045 4.276 4.320 0.000 0.000 0.218 480 A C 2.615 180.269 177.584 0.118 0.000 1.175 480 A CA 2.787 54.803 52.037 -0.035 0.000 0.628 480 A CB -1.073 17.922 19.000 -0.009 0.000 0.814 480 A HN 0.507 nan 8.150 nan 0.000 0.444 481 T N -1.388 113.250 114.554 0.139 0.000 2.821 481 T HA -0.083 4.267 4.350 0.000 0.000 0.267 481 T C 1.866 176.716 174.700 0.250 0.000 1.046 481 T CA 1.235 63.433 62.100 0.164 0.000 1.139 481 T CB -0.528 68.389 68.868 0.082 0.000 0.871 481 T HN 0.292 nan 8.240 nan 0.000 0.454 482 L N 0.348 121.714 121.223 0.239 0.000 2.046 482 L HA -0.132 4.209 4.340 0.000 0.000 0.208 482 L C 2.828 179.880 176.870 0.303 0.000 1.077 482 L CA 1.673 56.664 54.840 0.252 0.000 0.747 482 L CB -0.448 41.753 42.059 0.236 0.000 0.896 482 L HN 0.389 nan 8.230 nan 0.000 0.432 483 H N -1.691 117.462 119.070 0.139 0.000 2.352 483 H HA -0.259 4.297 4.556 0.000 0.000 0.299 483 H C 2.076 177.465 175.328 0.101 0.000 1.097 483 H CA 1.684 57.793 56.048 0.102 0.000 1.311 483 H CB -0.135 29.682 29.762 0.092 0.000 1.377 483 H HN 0.442 nan 8.280 nan 0.000 0.504 484 F N 2.159 122.207 119.950 0.162 0.000 2.095 484 F HA -0.276 4.251 4.527 0.000 0.000 0.298 484 F C 2.543 178.381 175.800 0.064 0.000 1.104 484 F CA 1.620 59.671 58.000 0.086 0.000 1.232 484 F CB -0.190 38.846 39.000 0.060 0.000 0.987 484 F HN 0.106 nan 8.300 nan 0.000 0.475 485 Q N -0.189 119.734 119.800 0.205 0.000 2.061 485 Q HA -0.280 4.061 4.340 0.000 0.000 0.204 485 Q C 2.243 178.221 176.000 -0.036 0.000 0.984 485 Q CA 2.165 58.020 55.803 0.087 0.000 0.846 485 Q CB -0.448 28.386 28.738 0.159 0.000 0.902 485 Q HN 0.616 nan 8.270 nan 0.000 0.421 486 Q N -0.197 119.603 119.800 0.001 0.000 2.079 486 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 486 Q C 1.887 177.831 176.000 -0.093 0.000 0.974 486 Q CA 0.940 56.722 55.803 -0.035 0.000 0.840 486 Q CB 0.087 28.811 28.738 -0.024 0.000 0.898 486 Q HN 0.232 nan 8.270 nan 0.000 0.430 487 L N -0.652 120.491 121.223 -0.132 0.000 2.168 487 L HA 0.062 4.403 4.340 0.000 0.000 0.203 487 L C 2.008 178.744 176.870 -0.223 0.000 1.078 487 L CA 1.477 56.226 54.840 -0.153 0.000 0.780 487 L CB -0.801 41.185 42.059 -0.121 0.000 0.939 487 L HN 0.088 nan 8.230 nan 0.000 0.451 488 A N -1.870 120.702 122.820 -0.412 0.000 2.147 488 A HA 0.235 4.555 4.320 0.000 0.000 0.211 488 A C 1.870 179.246 177.584 -0.347 0.000 1.160 488 A CA 0.909 52.644 52.037 -0.504 0.000 0.781 488 A CB 0.041 18.390 19.000 -1.087 0.000 0.842 488 A HN 0.161 nan 8.150 nan 0.000 0.475 489 V N -1.847 117.906 119.914 -0.269 0.000 3.054 489 V HA 0.544 4.664 4.120 0.000 0.000 0.227 489 V C 0.992 177.039 176.094 -0.079 0.000 1.252 489 V CA 0.635 62.855 62.300 -0.134 0.000 1.279 489 V CB -0.027 31.751 31.823 -0.075 0.000 1.118 489 V HN 0.813 nan 8.190 nan 0.000 0.504 490 G N 0.209 108.968 108.800 -0.069 0.000 2.386 490 G HA2 0.298 4.259 3.960 0.000 0.000 0.302 490 G HA3 0.298 4.259 3.960 0.000 0.000 0.302 490 G C -2.717 172.168 174.900 -0.024 0.000 1.629 490 G CA 0.128 45.203 45.100 -0.041 0.000 0.917 490 G HN -0.039 nan 8.290 nan 0.000 0.676 491 P HA -0.084 nan 4.420 nan 0.000 0.218 491 P C 1.317 178.620 177.300 0.006 0.000 1.148 491 P CA 1.982 65.077 63.100 -0.009 0.000 0.822 491 P CB 0.011 31.704 31.700 -0.011 0.000 0.784 492 N N 0.008 118.711 118.700 0.006 0.000 2.314 492 N HA 0.022 4.762 4.740 0.000 0.000 0.200 492 N C 1.234 176.757 175.510 0.021 0.000 1.135 492 N CA -0.026 53.032 53.050 0.014 0.000 0.835 492 N CB -0.630 37.863 38.487 0.010 0.000 0.989 492 N HN -0.004 nan 8.380 nan 0.000 0.478 493 R N 0.244 120.758 120.500 0.023 0.000 2.652 493 R HA 0.237 4.577 4.340 0.000 0.000 0.372 493 R C -0.528 175.805 176.300 0.054 0.000 1.104 493 R CA -0.251 55.869 56.100 0.033 0.000 1.072 493 R CB -0.508 29.805 30.300 0.022 0.000 1.367 493 R HN 0.288 nan 8.270 nan 0.000 0.577 494 V N 2.523 122.473 119.914 0.059 0.000 2.439 494 V HA 0.200 4.321 4.120 0.000 0.000 0.271 494 V C 0.209 176.352 176.094 0.080 0.000 1.040 494 V CA 0.406 62.755 62.300 0.082 0.000 1.002 494 V CB 0.879 32.752 31.823 0.084 0.000 1.000 494 V HN 0.259 nan 8.190 nan 0.000 0.477 495 T N 1.921 116.530 114.554 0.092 0.000 2.993 495 T HA 0.603 4.953 4.350 0.000 0.000 0.312 495 T C 0.747 175.506 174.700 0.097 0.000 1.115 495 T CA -0.006 62.144 62.100 0.083 0.000 1.027 495 T CB 1.615 70.522 68.868 0.066 0.000 1.116 495 T HN 1.185 nan 8.240 nan 0.000 0.464 496 G N 1.861 110.724 108.800 0.106 0.000 2.155 496 G HA2 -0.323 3.637 3.960 0.000 0.000 0.257 496 G HA3 -0.323 3.637 3.960 0.000 0.000 0.257 496 G C 0.672 175.694 174.900 0.203 0.000 0.983 496 G CA 1.174 46.348 45.100 0.123 0.000 0.676 496 G HN 1.413 nan 8.290 nan 0.000 0.528 497 T N -3.164 111.528 114.554 0.230 0.000 3.003 497 T HA 0.418 4.768 4.350 0.000 0.000 0.261 497 T C 0.959 175.848 174.700 0.314 0.000 1.003 497 T CA -0.066 62.243 62.100 0.347 0.000 0.917 497 T CB 0.543 69.568 68.868 0.260 0.000 1.084 497 T HN 0.461 nan 8.240 nan 0.000 0.522 498 R N 1.013 121.634 120.500 0.201 0.000 2.490 498 R HA 0.602 4.942 4.340 0.000 0.000 0.278 498 R C -0.705 175.638 176.300 0.072 0.000 1.069 498 R CA -0.366 55.806 56.100 0.119 0.000 1.080 498 R CB 0.940 31.294 30.300 0.090 0.000 1.030 498 R HN 0.287 nan 8.270 nan 0.000 0.491 499 L N 2.735 123.957 121.223 -0.001 0.000 2.502 499 L HA 0.247 4.587 4.340 0.000 0.000 0.249 499 L C -0.198 176.663 176.870 -0.014 0.000 1.446 499 L CA 0.062 54.873 54.840 -0.048 0.000 0.887 499 L CB 1.122 43.061 42.059 -0.201 0.000 1.126 499 L HN 0.583 nan 8.230 nan 0.000 0.509 500 E N 1.636 121.838 120.200 0.002 0.000 2.364 500 E HA 0.191 4.541 4.350 0.000 0.000 0.270 500 E C -0.554 176.035 176.600 -0.019 0.000 1.398 500 E CA -0.193 56.209 56.400 0.003 0.000 1.721 500 E CB 0.367 30.076 29.700 0.015 0.000 1.525 500 E HN 0.372 nan 8.360 nan 0.000 0.446 501 N N -0.226 118.447 118.700 -0.046 0.000 2.598 501 N HA 0.478 5.218 4.740 0.000 0.000 0.263 501 N C -1.195 174.195 175.510 -0.200 0.000 1.254 501 N CA 0.221 53.215 53.050 -0.093 0.000 0.863 501 N CB 1.913 40.357 38.487 -0.072 0.000 1.586 501 N HN 0.177 nan 8.380 nan 0.000 0.491 502 G N 0.492 109.136 108.800 -0.259 0.000 2.907 502 G HA2 0.056 4.017 3.960 0.000 0.000 0.686 502 G HA3 0.056 4.017 3.960 0.000 0.000 0.686 502 G C -0.972 173.570 174.900 -0.597 0.000 1.115 502 G CA -0.296 44.536 45.100 -0.447 0.000 0.760 502 G HN 0.774 nan 8.290 nan 0.000 0.620 503 S N 1.595 116.971 115.700 -0.541 0.000 2.488 503 S HA 0.569 5.039 4.470 0.000 0.000 0.310 503 S C 1.327 175.599 174.600 -0.546 0.000 1.093 503 S CA -0.400 57.461 58.200 -0.566 0.000 1.129 503 S CB 0.060 62.913 63.200 -0.578 0.000 0.989 503 S HN 0.597 nan 8.310 nan 0.000 0.479 504 Y N 3.580 123.799 120.300 -0.136 0.000 2.274 504 Y HA -0.152 4.399 4.550 0.000 0.000 0.290 504 Y C 2.638 178.490 175.900 -0.078 0.000 1.145 504 Y CA 1.870 59.950 58.100 -0.033 0.000 1.203 504 Y CB -0.618 37.886 38.460 0.073 0.000 0.984 504 Y HN 0.838 nan 8.280 nan 0.000 0.533 505 H N -2.111 116.959 119.070 0.000 0.000 2.389 505 H HA 0.016 4.572 4.556 0.000 0.000 0.299 505 H C 2.396 177.653 175.328 -0.119 0.000 1.081 505 H CA 1.216 57.224 56.048 -0.067 0.000 1.345 505 H CB -1.130 28.611 29.762 -0.036 0.000 1.393 505 H HN 0.342 nan 8.280 nan 0.000 0.520 506 G N 1.336 109.779 108.800 -0.596 0.000 2.418 506 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 506 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 506 G C 1.903 176.654 174.900 -0.249 0.000 1.158 506 G CA 1.541 46.404 45.100 -0.395 0.000 0.771 506 G HN 0.373 nan 8.290 nan 0.000 0.545 507 V N 1.654 121.449 119.914 -0.198 0.000 2.261 507 V HA -0.144 3.976 4.120 0.000 0.000 0.246 507 V C 3.355 179.419 176.094 -0.051 0.000 1.047 507 V CA 2.071 64.317 62.300 -0.090 0.000 1.015 507 V CB -1.085 30.794 31.823 0.093 0.000 0.642 507 V HN 0.483 nan 8.190 nan 0.000 0.446 508 A N 0.217 122.916 122.820 -0.203 0.000 1.892 508 A HA -0.255 4.066 4.320 0.000 0.000 0.218 508 A C 2.441 179.919 177.584 -0.176 0.000 1.188 508 A CA 2.700 54.424 52.037 -0.520 0.000 0.631 508 A CB -1.029 17.359 19.000 -1.020 0.000 0.822 508 A HN 0.633 nan 8.150 nan 0.000 0.447 509 A N -0.413 122.313 122.820 -0.155 0.000 1.908 509 A HA 0.133 4.453 4.320 0.000 0.000 0.218 509 A C 2.469 180.001 177.584 -0.087 0.000 1.181 509 A CA 2.201 54.178 52.037 -0.101 0.000 0.627 509 A CB -0.993 17.942 19.000 -0.108 0.000 0.818 509 A HN 1.216 nan 8.150 nan 0.000 0.445 510 A N -1.816 120.911 122.820 -0.154 0.000 2.067 510 A HA 0.104 4.424 4.320 0.000 0.000 0.219 510 A C 1.577 179.015 177.584 -0.242 0.000 1.158 510 A CA 1.091 52.991 52.037 -0.228 0.000 0.661 510 A CB -0.592 18.205 19.000 -0.337 0.000 0.801 510 A HN 0.445 nan 8.150 nan 0.000 0.452 511 F N -0.890 119.058 119.950 -0.004 0.000 2.797 511 F HA 0.337 4.864 4.527 0.000 0.000 0.302 511 F C 1.870 177.700 175.800 0.050 0.000 1.130 511 F CA 0.346 58.376 58.000 0.050 0.000 1.387 511 F CB 0.047 39.127 39.000 0.133 0.000 1.107 511 F HN 0.354 nan 8.300 nan 0.000 0.577 512 G N -0.041 108.850 108.800 0.152 0.000 2.157 512 G HA2 -0.101 3.859 3.960 0.000 0.000 0.239 512 G HA3 -0.101 3.859 3.960 0.000 0.000 0.239 512 G C 0.373 175.329 174.900 0.094 0.000 0.982 512 G CA -0.120 45.040 45.100 0.099 0.000 0.650 512 G HN 0.616 nan 8.290 nan 0.000 0.527 513 A N 0.017 122.899 122.820 0.104 0.000 2.302 513 A HA 0.605 4.925 4.320 0.000 0.000 0.285 513 A C 0.095 177.686 177.584 0.012 0.000 1.105 513 A CA -0.147 51.947 52.037 0.095 0.000 0.816 513 A CB 0.439 19.533 19.000 0.157 0.000 1.067 513 A HN 0.196 nan 8.150 nan 0.000 0.489 514 D N 0.951 121.374 120.400 0.039 0.000 2.417 514 D HA 0.412 5.052 4.640 0.000 0.000 0.250 514 D C 0.424 176.694 176.300 -0.051 0.000 1.166 514 D CA 1.033 55.011 54.000 -0.037 0.000 0.881 514 D CB 1.016 41.833 40.800 0.028 0.000 1.164 514 D HN 0.657 nan 8.370 nan 0.000 0.467 515 G N 1.635 110.330 108.800 -0.175 0.000 2.415 515 G HA2 0.539 4.499 3.960 0.000 0.000 0.327 515 G HA3 0.539 4.499 3.960 0.000 0.000 0.327 515 G C -1.283 173.484 174.900 -0.222 0.000 1.182 515 G CA -0.523 44.535 45.100 -0.070 0.000 0.924 515 G HN 0.338 nan 8.290 nan 0.000 0.470 516 Y N 0.143 120.480 120.300 0.062 0.000 2.477 516 Y HA 0.494 5.044 4.550 0.000 0.000 0.347 516 Y C -0.292 175.562 175.900 -0.076 0.000 0.981 516 Y CA -1.031 57.079 58.100 0.018 0.000 1.033 516 Y CB 2.846 41.336 38.460 0.049 0.000 1.245 516 Y HN 0.647 nan 8.280 nan 0.000 0.455 517 H N 2.380 121.353 119.070 -0.162 0.000 2.658 517 H HA 0.724 5.280 4.556 0.000 0.000 0.337 517 H C -1.506 173.750 175.328 -0.120 0.000 1.009 517 H CA -1.222 54.613 56.048 -0.356 0.000 1.231 517 H CB 1.200 30.472 29.762 -0.817 0.000 1.508 517 H HN 0.566 nan 8.280 nan 0.000 0.517 518 V N 2.341 122.152 119.914 -0.171 0.000 3.078 518 V HA 0.587 4.707 4.120 0.000 0.000 0.311 518 V C -0.679 175.289 176.094 -0.211 0.000 1.138 518 V CA -0.604 61.604 62.300 -0.154 0.000 1.007 518 V CB 2.594 34.423 31.823 0.010 0.000 1.045 518 V HN 0.854 nan 8.190 nan 0.000 0.432 519 D N -0.025 120.292 120.400 -0.139 0.000 2.567 519 D HA 0.267 4.907 4.640 0.000 0.000 0.268 519 D C 0.080 176.358 176.300 -0.037 0.000 1.448 519 D CA 0.722 54.656 54.000 -0.110 0.000 0.811 519 D CB 0.033 40.749 40.800 -0.139 0.000 1.192 519 D HN 1.161 nan 8.370 nan 0.000 0.488 520 S N -1.723 113.980 115.700 0.005 0.000 2.607 520 S HA 0.475 4.945 4.470 0.000 0.000 0.273 520 S C 0.801 175.457 174.600 0.093 0.000 1.148 520 S CA -0.369 57.852 58.200 0.035 0.000 0.833 520 S CB 1.530 64.737 63.200 0.013 0.000 1.130 520 S HN -0.194 nan 8.310 nan 0.000 0.470 521 V N 1.425 121.380 119.914 0.068 0.000 2.282 521 V HA -0.191 3.929 4.120 0.000 0.000 0.249 521 V C 2.885 179.002 176.094 0.038 0.000 1.057 521 V CA 2.659 64.995 62.300 0.060 0.000 1.032 521 V CB -1.288 30.517 31.823 -0.030 0.000 0.645 521 V HN 0.905 nan 8.190 nan 0.000 0.447 522 E N 0.377 120.585 120.200 0.014 0.000 2.038 522 E HA -0.231 4.119 4.350 0.000 0.000 0.195 522 E C 2.480 179.098 176.600 0.029 0.000 1.000 522 E CA 1.542 57.945 56.400 0.006 0.000 0.803 522 E CB -0.823 28.876 29.700 -0.002 0.000 0.750 522 E HN 0.987 nan 8.360 nan 0.000 0.448 523 S N 0.464 116.195 115.700 0.051 0.000 2.368 523 S HA -0.133 4.337 4.470 0.000 0.000 0.224 523 S C 1.919 176.598 174.600 0.131 0.000 1.029 523 S CA 1.276 59.516 58.200 0.067 0.000 0.988 523 S CB -0.596 62.627 63.200 0.038 0.000 0.838 523 S HN 0.377 nan 8.310 nan 0.000 0.462 524 F N 3.190 123.118 119.950 -0.037 0.000 2.102 524 F HA 0.012 4.539 4.527 0.000 0.000 0.298 524 F C 2.471 178.242 175.800 -0.048 0.000 1.105 524 F CA 1.034 59.007 58.000 -0.045 0.000 1.239 524 F CB -1.246 37.734 39.000 -0.034 0.000 0.991 524 F HN 0.212 nan 8.300 nan 0.000 0.474 525 S N 0.730 116.354 115.700 -0.128 0.000 2.374 525 S HA -0.238 4.232 4.470 0.000 0.000 0.227 525 S C 2.363 176.896 174.600 -0.111 0.000 1.037 525 S CA 1.379 59.462 58.200 -0.195 0.000 1.024 525 S CB -1.015 62.119 63.200 -0.110 0.000 0.861 525 S HN 0.544 nan 8.310 nan 0.000 0.456 526 A N 1.605 124.399 122.820 -0.042 0.000 1.873 526 A HA 0.140 4.460 4.320 0.000 0.000 0.215 526 A C 2.403 179.957 177.584 -0.050 0.000 1.186 526 A CA 1.732 53.758 52.037 -0.019 0.000 0.616 526 A CB -1.228 17.784 19.000 0.021 0.000 0.823 526 A HN 0.524 nan 8.150 nan 0.000 0.442 527 A N -0.486 122.296 122.820 -0.063 0.000 1.883 527 A HA -0.089 4.232 4.320 0.000 0.000 0.217 527 A C 2.153 179.488 177.584 -0.415 0.000 1.186 527 A CA 1.880 53.750 52.037 -0.279 0.000 0.624 527 A CB -0.727 18.149 19.000 -0.207 0.000 0.822 527 A HN 0.671 nan 8.150 nan 0.000 0.444 528 L N -0.217 120.832 121.223 -0.289 0.000 2.017 528 L HA -0.077 4.263 4.340 0.000 0.000 0.208 528 L C 2.728 179.373 176.870 -0.374 0.000 1.073 528 L CA 2.224 56.853 54.840 -0.352 0.000 0.745 528 L CB -1.006 40.769 42.059 -0.474 0.000 0.894 528 L HN 0.376 nan 8.230 nan 0.000 0.432 529 A N -1.055 121.602 122.820 -0.271 0.000 1.883 529 A HA -0.332 3.988 4.320 0.000 0.000 0.217 529 A C 2.339 179.855 177.584 -0.113 0.000 1.186 529 A CA 2.107 54.044 52.037 -0.167 0.000 0.624 529 A CB -0.779 18.206 19.000 -0.025 0.000 0.822 529 A HN 0.667 nan 8.150 nan 0.000 0.444 530 Q N -0.794 118.964 119.800 -0.069 0.000 2.079 530 Q HA -0.086 4.255 4.340 0.000 0.000 0.200 530 Q C 2.199 178.273 176.000 0.124 0.000 0.974 530 Q CA 1.545 57.386 55.803 0.063 0.000 0.840 530 Q CB -0.349 28.484 28.738 0.158 0.000 0.898 530 Q HN 0.605 nan 8.270 nan 0.000 0.430 531 A N 0.604 123.398 122.820 -0.043 0.000 1.933 531 A HA -0.140 4.181 4.320 0.000 0.000 0.218 531 A C 1.991 179.587 177.584 0.020 0.000 1.175 531 A CA 1.083 53.133 52.037 0.021 0.000 0.628 531 A CB -0.614 18.303 19.000 -0.138 0.000 0.814 531 A HN 0.463 nan 8.150 nan 0.000 0.444 532 L N -0.993 120.175 121.223 -0.093 0.000 2.291 532 L HA -0.097 4.243 4.340 0.000 0.000 0.214 532 L C 2.825 179.650 176.870 -0.075 0.000 1.120 532 L CA 0.690 55.467 54.840 -0.105 0.000 0.799 532 L CB -0.282 41.642 42.059 -0.224 0.000 0.925 532 L HN 0.437 nan 8.230 nan 0.000 0.446 533 A N -1.760 121.001 122.820 -0.098 0.000 2.119 533 A HA -0.026 4.294 4.320 0.000 0.000 0.216 533 A C 0.686 178.057 177.584 -0.354 0.000 1.152 533 A CA 0.621 52.524 52.037 -0.223 0.000 0.708 533 A CB -0.317 18.509 19.000 -0.290 0.000 0.805 533 A HN 0.316 nan 8.150 nan 0.000 0.460 534 H N -0.700 118.385 119.070 0.025 0.000 2.569 534 H HA 0.261 4.817 4.556 0.000 0.000 0.357 534 H C -0.899 174.454 175.328 0.042 0.000 1.153 534 H CA -0.886 55.187 56.048 0.041 0.000 1.193 534 H CB 1.054 30.853 29.762 0.062 0.000 1.602 534 H HN 0.129 nan 8.280 nan 0.000 0.523 535 N N 2.738 121.535 118.700 0.162 0.000 3.298 535 N HA 0.145 4.885 4.740 0.000 0.000 0.292 535 N C -0.338 175.247 175.510 0.124 0.000 1.271 535 N CA -0.034 53.085 53.050 0.114 0.000 1.184 535 N CB 0.139 38.673 38.487 0.078 0.000 1.452 535 N HN 0.378 nan 8.380 nan 0.000 0.534 536 R N 0.649 121.235 120.500 0.143 0.000 2.686 536 R HA 0.471 4.811 4.340 0.000 0.000 0.283 536 R C -2.556 173.833 176.300 0.148 0.000 0.978 536 R CA -1.646 54.533 56.100 0.133 0.000 0.897 536 R CB 2.169 32.540 30.300 0.119 0.000 1.192 536 R HN 0.114 nan 8.270 nan 0.000 0.457 537 P HA 0.182 nan 4.420 nan 0.000 0.271 537 P C -1.257 176.184 177.300 0.236 0.000 1.218 537 P CA -0.183 63.041 63.100 0.206 0.000 0.780 537 P CB 1.226 33.073 31.700 0.246 0.000 0.901 538 A N 1.697 124.683 122.820 0.277 0.000 2.572 538 A HA 0.580 4.901 4.320 0.000 0.000 0.295 538 A C -1.353 176.436 177.584 0.342 0.000 1.072 538 A CA -0.545 51.672 52.037 0.299 0.000 0.691 538 A CB 1.409 20.603 19.000 0.322 0.000 1.291 538 A HN 0.632 nan 8.150 nan 0.000 0.404 539 C N 2.533 121.999 119.300 0.276 0.000 2.322 539 C HA 0.750 5.210 4.460 0.000 0.000 0.324 539 C C -0.858 174.307 174.990 0.291 0.000 1.249 539 C CA -0.538 58.629 59.018 0.249 0.000 1.453 539 C CB -1.233 26.490 27.740 -0.029 0.000 2.145 539 C HN 0.591 nan 8.230 nan 0.000 0.466 540 I N 6.387 127.092 120.570 0.224 0.000 2.330 540 I HA 0.294 4.464 4.170 0.000 0.000 0.286 540 I C 0.197 176.372 176.117 0.096 0.000 1.025 540 I CA 0.091 61.498 61.300 0.179 0.000 1.197 540 I CB 0.652 38.717 38.000 0.108 0.000 1.358 540 I HN 0.706 nan 8.210 nan 0.000 0.467 541 N N 6.311 125.086 118.700 0.124 0.000 2.437 541 N HA 0.308 5.049 4.740 0.000 0.000 0.243 541 N C -1.060 174.499 175.510 0.080 0.000 1.041 541 N CA -0.420 52.704 53.050 0.124 0.000 0.940 541 N CB 0.963 39.567 38.487 0.195 0.000 1.133 541 N HN 0.288 nan 8.380 nan 0.000 0.506 542 V N 2.962 122.828 119.914 -0.079 0.000 2.328 542 V HA 0.365 4.486 4.120 0.000 0.000 0.278 542 V C 0.424 176.454 176.094 -0.106 0.000 1.021 542 V CA -0.997 61.164 62.300 -0.231 0.000 0.838 542 V CB 0.757 32.215 31.823 -0.610 0.000 0.999 542 V HN 0.729 nan 8.190 nan 0.000 0.447 543 A N 5.804 128.596 122.820 -0.047 0.000 2.438 543 A HA 0.589 4.910 4.320 0.000 0.000 0.280 543 A C 0.067 177.618 177.584 -0.056 0.000 1.160 543 A CA -0.102 51.931 52.037 -0.007 0.000 0.821 543 A CB 0.087 19.096 19.000 0.016 0.000 1.101 543 A HN 1.321 nan 8.150 nan 0.000 0.515 544 V N 0.250 120.131 119.914 -0.054 0.000 2.864 544 V HA 0.903 5.024 4.120 0.000 0.000 0.314 544 V C 0.413 176.472 176.094 -0.059 0.000 1.073 544 V CA -0.671 61.583 62.300 -0.078 0.000 0.956 544 V CB 1.135 32.884 31.823 -0.123 0.000 1.023 544 V HN 1.527 nan 8.190 nan 0.000 0.435 545 A N 2.141 124.910 122.820 -0.085 0.000 2.483 545 A HA 0.468 4.788 4.320 0.000 0.000 0.238 545 A C 0.662 178.217 177.584 -0.047 0.000 1.070 545 A CA 0.338 52.337 52.037 -0.063 0.000 0.770 545 A CB 0.311 19.256 19.000 -0.093 0.000 1.008 545 A HN 1.481 nan 8.150 nan 0.000 0.497 546 L N 0.710 121.952 121.223 0.031 0.000 2.253 546 L HA 0.141 4.481 4.340 0.000 0.000 0.205 546 L C 1.374 178.393 176.870 0.248 0.000 1.078 546 L CA 1.763 56.672 54.840 0.116 0.000 0.805 546 L CB -0.458 41.675 42.059 0.124 0.000 0.963 546 L HN 0.715 nan 8.230 nan 0.000 0.459 547 D N 0.056 120.547 120.400 0.152 0.000 2.178 547 D HA -0.039 4.601 4.640 0.000 0.000 0.201 547 D C -1.479 174.906 176.300 0.142 0.000 0.980 547 D CA 0.614 54.690 54.000 0.126 0.000 0.842 547 D CB -1.426 39.408 40.800 0.057 0.000 0.948 547 D HN 0.327 nan 8.370 nan 0.000 0.472 548 P HA 0.054 nan 4.420 nan 0.000 0.265 548 P C -0.140 177.472 177.300 0.519 0.000 1.193 548 P CA 0.261 63.514 63.100 0.256 0.000 0.765 548 P CB 0.536 32.215 31.700 -0.035 0.000 0.823 549 I N 5.609 126.411 120.570 0.386 0.000 2.312 549 I HA 0.239 4.409 4.170 0.000 0.000 0.290 549 I C -1.882 174.198 176.117 -0.062 0.000 1.008 549 I CA -2.529 58.897 61.300 0.211 0.000 1.226 549 I CB 1.391 39.422 38.000 0.053 0.000 1.371 549 I HN 0.164 nan 8.210 nan 0.000 0.468 550 P HA 0.158 nan 4.420 nan 0.000 0.271 550 P C -2.316 174.602 177.300 -0.638 0.000 1.216 550 P CA -1.421 60.827 63.100 -1.420 0.000 0.776 550 P CB 0.407 31.090 31.700 -1.694 0.000 0.881 551 P HA -0.211 nan 4.420 nan 0.000 0.217 551 P C 1.440 178.578 177.300 -0.270 0.000 1.151 551 P CA 1.699 64.626 63.100 -0.288 0.000 0.849 551 P CB -0.029 31.541 31.700 -0.216 0.000 0.787 552 E N -0.558 119.477 120.200 -0.275 0.000 2.153 552 E HA -0.207 4.143 4.350 0.000 0.000 0.194 552 E C 1.994 178.493 176.600 -0.169 0.000 0.988 552 E CA 0.961 57.241 56.400 -0.200 0.000 0.811 552 E CB -0.364 29.254 29.700 -0.137 0.000 0.746 552 E HN 0.489 nan 8.360 nan 0.000 0.466 553 E N 0.547 120.630 120.200 -0.195 0.000 2.072 553 E HA -0.084 4.267 4.350 0.000 0.000 0.190 553 E C 2.306 178.855 176.600 -0.085 0.000 0.982 553 E CA 0.211 56.547 56.400 -0.108 0.000 0.803 553 E CB 0.052 29.705 29.700 -0.078 0.000 0.755 553 E HN 0.136 nan 8.360 nan 0.000 0.453 554 L N 0.750 121.900 121.223 -0.121 0.000 2.042 554 L HA -0.240 4.101 4.340 0.000 0.000 0.210 554 L C 2.463 179.275 176.870 -0.097 0.000 1.076 554 L CA 1.124 55.907 54.840 -0.095 0.000 0.749 554 L CB -0.330 41.667 42.059 -0.104 0.000 0.893 554 L HN 0.263 nan 8.230 nan 0.000 0.432 555 I N -0.473 119.999 120.570 -0.164 0.000 2.163 555 I HA -0.275 3.895 4.170 0.000 0.000 0.243 555 I C 1.505 177.580 176.117 -0.070 0.000 1.085 555 I CA 0.912 62.098 61.300 -0.190 0.000 1.347 555 I CB -0.116 37.644 38.000 -0.399 0.000 1.044 555 I HN 0.079 nan 8.210 nan 0.000 0.408 556 I N 0.000 120.540 120.570 -0.050 0.000 2.984 556 I HA 0.000 4.170 4.170 0.000 0.000 0.288 556 I CA 0.000 61.303 61.300 0.005 0.000 1.566 556 I CB 0.000 38.014 38.000 0.023 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494