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 3d7k_1_B 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 EELI 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 0.000 177.593 177.584 0.015 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.006 19.000 0.009 0.000 0.831 3 M N 2.467 122.075 119.600 0.012 0.000 2.251 3 M HA 0.464 4.944 4.480 -0.000 0.000 0.346 3 M C -0.113 176.199 176.300 0.020 0.000 1.499 3 M CA -0.498 54.809 55.300 0.012 0.000 1.128 3 M CB -0.417 32.187 32.600 0.007 0.000 1.809 3 M HN 0.538 nan 8.290 nan 0.000 0.464 4 I N 0.074 120.658 120.570 0.023 0.000 2.934 4 I HA 0.782 4.952 4.170 -0.000 0.000 0.306 4 I C 0.015 176.150 176.117 0.030 0.000 1.110 4 I CA -0.990 60.330 61.300 0.033 0.000 1.019 4 I CB 2.272 40.297 38.000 0.043 0.000 1.227 4 I HN 0.596 nan 8.210 nan 0.000 0.434 5 T N 0.691 115.269 114.554 0.040 0.000 2.882 5 T HA 0.323 4.673 4.350 -0.000 0.000 0.287 5 T C 1.296 176.023 174.700 0.044 0.000 1.014 5 T CA -0.061 62.063 62.100 0.041 0.000 1.049 5 T CB 1.347 70.250 68.868 0.057 0.000 1.001 5 T HN 0.929 nan 8.240 nan 0.000 0.525 6 G N 1.016 109.843 108.800 0.045 0.000 2.503 6 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.221 6 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.221 6 G C 1.591 176.525 174.900 0.057 0.000 1.131 6 G CA 0.766 45.896 45.100 0.051 0.000 0.756 6 G HN 1.082 nan 8.290 nan 0.000 0.572 7 G N 0.541 109.384 108.800 0.071 0.000 2.529 7 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 7 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 7 G C 1.652 176.577 174.900 0.043 0.000 1.177 7 G CA 1.258 46.400 45.100 0.070 0.000 0.773 7 G HN 0.401 nan 8.290 nan 0.000 0.573 8 E N 0.246 120.475 120.200 0.047 0.000 2.077 8 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 8 E C 2.780 179.375 176.600 -0.009 0.000 0.989 8 E CA 0.449 56.867 56.400 0.029 0.000 0.800 8 E CB -0.369 29.372 29.700 0.069 0.000 0.746 8 E HN 0.454 nan 8.360 nan 0.000 0.452 9 L N 0.376 121.608 121.223 0.014 0.000 2.021 9 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 9 L C 2.586 179.456 176.870 -0.001 0.000 1.074 9 L CA 1.164 56.011 54.840 0.012 0.000 0.760 9 L CB -0.635 41.442 42.059 0.031 0.000 0.889 9 L HN 0.039 nan 8.230 nan 0.000 0.433 10 V N -0.839 119.078 119.914 0.005 0.000 2.261 10 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 10 V C 2.381 178.452 176.094 -0.038 0.000 1.047 10 V CA 1.688 63.988 62.300 0.001 0.000 1.015 10 V CB -0.295 31.535 31.823 0.012 0.000 0.642 10 V HN 0.193 nan 8.190 nan 0.000 0.446 11 V N -0.202 119.670 119.914 -0.070 0.000 2.295 11 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 11 V C 2.597 178.572 176.094 -0.199 0.000 1.049 11 V CA 2.105 64.322 62.300 -0.138 0.000 1.024 11 V CB -0.820 30.907 31.823 -0.161 0.000 0.648 11 V HN 0.457 nan 8.190 nan 0.000 0.447 12 R N -0.097 120.277 120.500 -0.210 0.000 2.096 12 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 12 R C 2.391 178.634 176.300 -0.095 0.000 1.139 12 R CA 2.120 58.109 56.100 -0.184 0.000 0.952 12 R CB -0.872 29.367 30.300 -0.103 0.000 0.854 12 R HN 0.551 nan 8.270 nan 0.000 0.436 13 T N 1.705 116.225 114.554 -0.056 0.000 2.746 13 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 13 T C 1.919 176.602 174.700 -0.029 0.000 1.039 13 T CA 1.071 63.156 62.100 -0.025 0.000 1.142 13 T CB -0.201 68.667 68.868 0.001 0.000 0.866 13 T HN 0.143 nan 8.240 nan 0.000 0.444 14 L N 0.003 121.199 121.223 -0.045 0.000 2.079 14 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 14 L C 2.462 179.304 176.870 -0.047 0.000 1.081 14 L CA 1.215 56.029 54.840 -0.043 0.000 0.752 14 L CB -0.592 41.430 42.059 -0.062 0.000 0.896 14 L HN 0.256 nan 8.230 nan 0.000 0.433 15 I N -0.209 120.317 120.570 -0.074 0.000 2.163 15 I HA -0.305 3.865 4.170 -0.000 0.000 0.240 15 I C 2.658 178.756 176.117 -0.032 0.000 1.081 15 I CA 1.239 62.501 61.300 -0.064 0.000 1.353 15 I CB -0.149 37.795 38.000 -0.092 0.000 1.054 15 I HN 0.129 nan 8.210 nan 0.000 0.407 16 K N 1.062 121.445 120.400 -0.029 0.000 2.089 16 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 16 K C 1.922 178.519 176.600 -0.005 0.000 1.048 16 K CA 1.870 58.150 56.287 -0.012 0.000 0.926 16 K CB -0.287 32.207 32.500 -0.009 0.000 0.714 16 K HN 0.364 nan 8.250 nan 0.000 0.448 17 A N -0.897 121.920 122.820 -0.004 0.000 2.168 17 A HA 0.153 4.473 4.320 -0.000 0.000 0.215 17 A C 1.437 179.026 177.584 0.008 0.000 1.152 17 A CA 1.162 53.202 52.037 0.005 0.000 0.716 17 A CB -0.508 18.499 19.000 0.011 0.000 0.794 17 A HN 0.585 nan 8.150 nan 0.000 0.465 18 G N -1.381 107.420 108.800 0.003 0.000 2.144 18 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 18 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 18 G C 0.380 175.293 174.900 0.022 0.000 0.988 18 G CA 0.402 45.508 45.100 0.010 0.000 0.659 18 G HN 1.779 nan 8.290 nan 0.000 0.522 19 V N -1.665 118.255 119.914 0.011 0.000 2.614 19 V HA 0.747 4.867 4.120 -0.000 0.000 0.291 19 V C 0.919 176.994 176.094 -0.033 0.000 1.049 19 V CA 0.829 63.141 62.300 0.021 0.000 1.038 19 V CB 1.561 33.386 31.823 0.003 0.000 0.980 19 V HN 0.327 nan 8.190 nan 0.000 0.481 20 E N 2.255 122.440 120.200 -0.026 0.000 2.372 20 E HA 0.233 4.583 4.350 -0.000 0.000 0.201 20 E C -0.556 175.734 176.600 -0.516 0.000 0.938 20 E CA 0.217 56.485 56.400 -0.220 0.000 0.944 20 E CB 0.424 30.019 29.700 -0.175 0.000 0.937 20 E HN 0.969 nan 8.360 nan 0.000 0.495 21 H N -0.702 118.243 119.070 -0.208 0.000 2.771 21 H HA 0.386 4.942 4.556 0.000 0.000 0.361 21 H C -1.268 173.700 175.328 -0.600 0.000 1.108 21 H CA -0.726 55.041 56.048 -0.468 0.000 1.201 21 H CB 1.476 30.833 29.762 -0.674 0.000 1.681 21 H HN -0.133 nan 8.280 nan 0.000 0.534 22 L N 2.175 123.090 121.223 -0.513 0.000 2.313 22 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 22 L C -0.948 175.465 176.870 -0.762 0.000 1.010 22 L CA -0.424 54.128 54.840 -0.480 0.000 0.814 22 L CB 0.822 42.689 42.059 -0.320 0.000 1.304 22 L HN 0.502 nan 8.230 nan 0.000 0.441 23 F N -0.380 119.465 119.950 -0.176 0.000 2.565 23 F HA 0.832 5.359 4.527 0.000 0.000 0.313 23 F C 0.580 176.337 175.800 -0.072 0.000 1.091 23 F CA -0.391 57.538 58.000 -0.117 0.000 0.915 23 F CB 2.310 41.233 39.000 -0.128 0.000 1.208 23 F HN 0.512 nan 8.300 nan 0.000 0.453 24 G N 1.223 110.124 108.800 0.167 0.000 2.348 24 G HA2 0.569 4.529 3.960 -0.000 0.000 0.296 24 G HA3 0.569 4.529 3.960 -0.000 0.000 0.296 24 G C -2.696 172.336 174.900 0.221 0.000 1.258 24 G CA -0.699 44.500 45.100 0.165 0.000 0.868 24 G HN 0.941 nan 8.290 nan 0.000 0.488 25 L N -0.416 120.981 121.223 0.289 0.000 2.705 25 L HA 0.639 4.979 4.340 -0.000 0.000 0.260 25 L C -0.780 176.236 176.870 0.244 0.000 0.921 25 L CA -0.871 54.126 54.840 0.261 0.000 0.948 25 L CB 0.914 43.056 42.059 0.140 0.000 1.427 25 L HN 1.019 nan 8.230 nan 0.000 0.432 26 H N 2.578 121.651 119.070 0.006 0.000 2.929 26 H HA 0.620 5.175 4.556 -0.000 0.000 0.358 26 H C 0.136 175.325 175.328 -0.230 0.000 1.111 26 H CA 1.720 57.513 56.048 -0.426 0.000 1.409 26 H CB 1.007 30.349 29.762 -0.700 0.000 1.373 26 H HN 1.040 nan 8.280 nan 0.000 0.610 27 G N 1.202 109.494 108.800 -0.846 0.000 2.720 27 G HA2 0.458 4.418 3.960 -0.000 0.000 0.295 27 G HA3 0.458 4.418 3.960 -0.000 0.000 0.295 27 G C 0.247 174.800 174.900 -0.578 0.000 1.437 27 G CA -0.236 44.617 45.100 -0.411 0.000 0.886 27 G HN 0.853 nan 8.290 nan 0.000 0.509 28 A N 0.413 123.076 122.820 -0.262 0.000 1.917 28 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 28 A C 1.923 179.223 177.584 -0.473 0.000 1.182 28 A CA 2.503 54.393 52.037 -0.244 0.000 0.633 28 A CB -0.866 18.012 19.000 -0.203 0.000 0.819 28 A HN 0.802 nan 8.150 nan 0.000 0.448 29 H N -0.126 118.443 119.070 -0.835 0.000 2.457 29 H HA -0.059 4.497 4.556 0.000 0.000 0.297 29 H C 1.611 176.662 175.328 -0.462 0.000 1.092 29 H CA 1.662 57.012 56.048 -1.164 0.000 1.309 29 H CB -0.248 28.995 29.762 -0.866 0.000 1.382 29 H HN 0.736 nan 8.280 nan 0.000 0.535 30 I N -3.237 117.234 120.570 -0.166 0.000 4.081 30 I HA 0.210 4.380 4.170 -0.000 0.000 0.333 30 I C 1.176 177.352 176.117 0.099 0.000 1.413 30 I CA 0.051 61.356 61.300 0.009 0.000 1.110 30 I CB 0.579 38.616 38.000 0.061 0.000 1.082 30 I HN -0.137 nan 8.210 nan 0.000 0.402 31 D N 2.635 123.023 120.400 -0.020 0.000 2.158 31 D HA -0.261 4.379 4.640 -0.000 0.000 0.197 31 D C 2.372 178.815 176.300 0.238 0.000 0.995 31 D CA 2.659 56.723 54.000 0.107 0.000 0.846 31 D CB 0.111 40.989 40.800 0.131 0.000 0.941 31 D HN 0.518 nan 8.370 nan 0.000 0.456 32 T N -1.635 113.043 114.554 0.207 0.000 2.822 32 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 32 T C 2.163 176.963 174.700 0.168 0.000 1.064 32 T CA 1.165 63.372 62.100 0.179 0.000 1.131 32 T CB -0.613 68.350 68.868 0.158 0.000 0.858 32 T HN 0.282 nan 8.240 nan 0.000 0.483 33 I N -0.932 119.746 120.570 0.181 0.000 2.500 33 I HA 0.077 4.247 4.170 -0.000 0.000 0.252 33 I C 2.043 178.221 176.117 0.101 0.000 1.142 33 I CA 0.763 62.130 61.300 0.112 0.000 1.451 33 I CB -0.296 37.741 38.000 0.062 0.000 1.093 33 I HN 0.146 nan 8.210 nan 0.000 0.430 34 F N 1.117 121.103 119.950 0.059 0.000 2.146 34 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 34 F C 2.727 178.576 175.800 0.080 0.000 1.096 34 F CA 1.280 59.331 58.000 0.085 0.000 1.275 34 F CB -0.431 38.673 39.000 0.174 0.000 1.008 34 F HN 0.046 nan 8.300 nan 0.000 0.480 35 Q N 0.011 119.975 119.800 0.273 0.000 2.050 35 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 35 Q C 2.554 178.637 176.000 0.139 0.000 0.980 35 Q CA 1.504 57.415 55.803 0.181 0.000 0.840 35 Q CB -1.113 27.717 28.738 0.154 0.000 0.898 35 Q HN 0.414 nan 8.270 nan 0.000 0.424 36 A N 0.147 123.046 122.820 0.132 0.000 2.019 36 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 36 A C 2.421 180.095 177.584 0.149 0.000 1.164 36 A CA 1.285 53.408 52.037 0.144 0.000 0.644 36 A CB -0.749 18.304 19.000 0.088 0.000 0.805 36 A HN 0.447 nan 8.150 nan 0.000 0.449 37 C N -1.132 118.204 119.300 0.060 0.000 2.468 37 C HA 0.147 4.607 4.460 -0.000 0.000 0.277 37 C C 2.493 177.507 174.990 0.039 0.000 1.400 37 C CA 0.296 59.321 59.018 0.012 0.000 1.770 37 C CB -1.315 26.361 27.740 -0.107 0.000 1.905 37 C HN 0.644 nan 8.230 nan 0.000 0.519 38 L N 0.834 122.097 121.223 0.066 0.000 1.961 38 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 38 L C 2.360 179.251 176.870 0.035 0.000 1.072 38 L CA 1.809 56.681 54.840 0.054 0.000 0.749 38 L CB -0.769 41.331 42.059 0.069 0.000 0.889 38 L HN 0.294 nan 8.230 nan 0.000 0.432 39 D N -0.566 119.856 120.400 0.038 0.000 2.137 39 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 39 D C 1.884 178.121 176.300 -0.105 0.000 0.998 39 D CA 1.825 55.795 54.000 -0.050 0.000 0.839 39 D CB -0.665 40.086 40.800 -0.082 0.000 0.962 39 D HN 0.434 nan 8.370 nan 0.000 0.446 40 H N -0.342 118.719 119.070 -0.014 0.000 2.556 40 H HA 0.089 4.645 4.556 -0.000 0.000 0.268 40 H C -0.144 175.161 175.328 -0.038 0.000 0.996 40 H CA 0.645 56.678 56.048 -0.025 0.000 1.157 40 H CB -0.206 29.539 29.762 -0.028 0.000 1.355 40 H HN 0.106 nan 8.280 nan 0.000 0.597 41 D N -0.275 120.154 120.400 0.047 0.000 2.699 41 D HA -0.167 4.473 4.640 -0.000 0.000 0.239 41 D C -1.153 175.132 176.300 -0.025 0.000 1.136 41 D CA 0.210 54.212 54.000 0.003 0.000 0.668 41 D CB -1.162 39.633 40.800 -0.009 0.000 1.060 41 D HN 0.108 nan 8.370 nan 0.000 0.429 42 V N 1.958 121.849 119.914 -0.038 0.000 2.347 42 V HA 0.495 4.615 4.120 -0.000 0.000 0.280 42 V C -1.595 174.414 176.094 -0.141 0.000 1.021 42 V CA -1.262 60.972 62.300 -0.110 0.000 0.847 42 V CB 1.617 33.370 31.823 -0.118 0.000 0.990 42 V HN 0.194 nan 8.190 nan 0.000 0.444 43 P HA 0.295 nan 4.420 nan 0.000 0.271 43 P C -0.696 176.471 177.300 -0.222 0.000 1.216 43 P CA 0.058 63.072 63.100 -0.144 0.000 0.771 43 P CB 0.913 32.559 31.700 -0.090 0.000 0.864 44 I N 4.253 124.697 120.570 -0.209 0.000 2.405 44 I HA 0.229 4.399 4.170 -0.000 0.000 0.280 44 I C 0.509 176.516 176.117 -0.183 0.000 1.027 44 I CA -0.951 60.177 61.300 -0.287 0.000 1.161 44 I CB 1.077 38.826 38.000 -0.418 0.000 1.300 44 I HN 0.105 nan 8.210 nan 0.000 0.463 45 I N 6.311 126.714 120.570 -0.280 0.000 2.574 45 I HA -0.011 4.158 4.170 -0.000 0.000 0.291 45 I C 0.510 176.647 176.117 0.032 0.000 1.131 45 I CA 0.344 61.574 61.300 -0.117 0.000 1.352 45 I CB -0.536 37.355 38.000 -0.182 0.000 1.431 45 I HN 0.601 nan 8.210 nan 0.000 0.543 46 D N 5.258 125.710 120.400 0.087 0.000 2.225 46 D HA 0.314 4.954 4.640 -0.000 0.000 0.248 46 D C 0.222 176.592 176.300 0.116 0.000 1.096 46 D CA -0.343 53.743 54.000 0.145 0.000 0.863 46 D CB 2.104 43.022 40.800 0.196 0.000 1.156 46 D HN 0.487 nan 8.370 nan 0.000 0.450 47 T N -0.214 114.410 114.554 0.116 0.000 2.864 47 T HA 0.411 4.761 4.350 -0.000 0.000 0.276 47 T C 0.941 175.671 174.700 0.049 0.000 1.006 47 T CA -0.906 61.238 62.100 0.073 0.000 0.970 47 T CB 1.524 70.442 68.868 0.085 0.000 1.420 47 T HN 0.218 nan 8.240 nan 0.000 0.601 48 R N -0.039 120.471 120.500 0.017 0.000 2.397 48 R HA 0.285 4.625 4.340 -0.000 0.000 0.241 48 R C -0.122 176.213 176.300 0.057 0.000 0.914 48 R CA 0.012 56.119 56.100 0.013 0.000 1.071 48 R CB -0.536 29.735 30.300 -0.049 0.000 1.116 48 R HN 0.734 nan 8.270 nan 0.000 0.524 49 H N -0.199 118.864 119.070 -0.012 0.000 3.099 49 H HA 0.131 4.686 4.556 -0.000 0.000 0.342 49 H C 0.045 175.379 175.328 0.011 0.000 1.054 49 H CA -0.270 55.777 56.048 -0.000 0.000 1.328 49 H CB 1.399 31.159 29.762 -0.004 0.000 1.876 49 H HN -0.204 nan 8.280 nan 0.000 0.495 50 E N 3.067 123.399 120.200 0.220 0.000 2.147 50 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 50 E C 1.979 178.680 176.600 0.169 0.000 1.005 50 E CA 1.918 58.427 56.400 0.183 0.000 0.810 50 E CB 0.131 29.891 29.700 0.101 0.000 0.736 50 E HN 0.643 nan 8.360 nan 0.000 0.460 51 A N 1.023 124.005 122.820 0.271 0.000 1.883 51 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 51 A C 2.399 179.947 177.584 -0.061 0.000 1.186 51 A CA 2.047 54.032 52.037 -0.087 0.000 0.624 51 A CB -0.947 17.852 19.000 -0.334 0.000 0.822 51 A HN 0.321 nan 8.150 nan 0.000 0.444 52 A N -0.416 122.420 122.820 0.027 0.000 1.972 52 A HA 0.199 4.519 4.320 -0.000 0.000 0.219 52 A C 2.470 180.079 177.584 0.042 0.000 1.169 52 A CA 1.987 54.060 52.037 0.059 0.000 0.635 52 A CB -0.903 18.098 19.000 0.002 0.000 0.810 52 A HN 1.025 nan 8.150 nan 0.000 0.446 53 A N -0.308 122.546 122.820 0.057 0.000 1.855 53 A HA 0.147 4.467 4.320 -0.000 0.000 0.215 53 A C 2.463 180.037 177.584 -0.017 0.000 1.191 53 A CA 1.898 53.977 52.037 0.070 0.000 0.613 53 A CB -1.516 17.562 19.000 0.131 0.000 0.829 53 A HN 0.738 nan 8.150 nan 0.000 0.442 54 G N -0.930 107.867 108.800 -0.006 0.000 2.476 54 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 54 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 54 G C 1.469 176.306 174.900 -0.105 0.000 1.164 54 G CA 1.252 46.363 45.100 0.018 0.000 0.768 54 G HN 0.675 nan 8.290 nan 0.000 0.560 55 H N 0.699 119.754 119.070 -0.025 0.000 2.456 55 H HA 0.055 4.611 4.556 0.000 0.000 0.296 55 H C 2.852 178.061 175.328 -0.197 0.000 1.079 55 H CA 1.095 57.094 56.048 -0.081 0.000 1.322 55 H CB -0.396 29.320 29.762 -0.075 0.000 1.388 55 H HN 0.422 nan 8.280 nan 0.000 0.538 56 A N 1.130 123.817 122.820 -0.221 0.000 1.897 56 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 56 A C 2.722 179.761 177.584 -0.910 0.000 1.181 56 A CA 1.410 53.104 52.037 -0.571 0.000 0.620 56 A CB -0.745 17.809 19.000 -0.743 0.000 0.821 56 A HN 0.401 nan 8.150 nan 0.000 0.443 57 A N -0.112 122.187 122.820 -0.869 0.000 1.908 57 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 57 A C 1.922 179.364 177.584 -0.237 0.000 1.181 57 A CA 1.849 53.556 52.037 -0.550 0.000 0.627 57 A CB -0.610 18.196 19.000 -0.323 0.000 0.818 57 A HN 0.638 nan 8.150 nan 0.000 0.445 58 E N -0.936 119.159 120.200 -0.174 0.000 2.058 58 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 58 E C 2.192 178.757 176.600 -0.059 0.000 0.997 58 E CA 0.949 57.316 56.400 -0.056 0.000 0.801 58 E CB -0.405 29.309 29.700 0.023 0.000 0.746 58 E HN 0.618 nan 8.360 nan 0.000 0.450 59 G N 0.142 108.879 108.800 -0.105 0.000 2.421 59 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.216 59 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.216 59 G C 1.389 176.262 174.900 -0.044 0.000 1.171 59 G CA 0.877 45.922 45.100 -0.092 0.000 0.775 59 G HN 0.304 nan 8.290 nan 0.000 0.543 60 Y N 1.910 122.091 120.300 -0.198 0.000 2.207 60 Y HA -0.076 4.474 4.550 -0.000 0.000 0.287 60 Y C 2.902 178.774 175.900 -0.046 0.000 1.156 60 Y CA 1.660 59.704 58.100 -0.094 0.000 1.182 60 Y CB -0.115 38.320 38.460 -0.042 0.000 0.979 60 Y HN 0.256 nan 8.280 nan 0.000 0.521 61 A N 0.098 122.984 122.820 0.110 0.000 1.929 61 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 61 A C 2.216 179.778 177.584 -0.036 0.000 1.176 61 A CA 1.397 53.465 52.037 0.052 0.000 0.628 61 A CB -0.426 18.612 19.000 0.064 0.000 0.816 61 A HN 0.499 nan 8.150 nan 0.000 0.444 62 R N -0.343 120.130 120.500 -0.044 0.000 2.057 62 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 62 R C 2.511 178.762 176.300 -0.082 0.000 1.136 62 R CA 1.220 57.283 56.100 -0.061 0.000 0.952 62 R CB -0.497 29.762 30.300 -0.069 0.000 0.848 62 R HN 0.451 nan 8.270 nan 0.000 0.430 63 A N 0.593 123.353 122.820 -0.099 0.000 1.933 63 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 63 A C 2.080 179.581 177.584 -0.139 0.000 1.175 63 A CA 1.730 53.702 52.037 -0.107 0.000 0.628 63 A CB -0.761 18.176 19.000 -0.105 0.000 0.814 63 A HN 0.475 nan 8.150 nan 0.000 0.444 64 G N -1.965 106.706 108.800 -0.215 0.000 3.284 64 G HA2 0.415 4.375 3.960 -0.000 0.000 0.236 64 G HA3 0.415 4.375 3.960 -0.000 0.000 0.236 64 G C 0.697 175.505 174.900 -0.154 0.000 1.158 64 G CA 0.609 45.568 45.100 -0.236 0.000 0.774 64 G HN 1.423 nan 8.290 nan 0.000 0.545 65 A N 0.625 123.381 122.820 -0.107 0.000 2.151 65 A HA -0.112 4.208 4.320 -0.000 0.000 0.271 65 A C 0.871 178.423 177.584 -0.053 0.000 1.348 65 A CA 1.728 53.726 52.037 -0.066 0.000 0.763 65 A CB -1.611 17.358 19.000 -0.051 0.000 1.117 65 A HN 0.757 nan 8.150 nan 0.000 0.342 66 K N -1.038 119.335 120.400 -0.045 0.000 2.318 66 K HA 0.832 5.152 4.320 -0.000 0.000 0.265 66 K C -0.514 176.121 176.600 0.058 0.000 1.055 66 K CA -1.256 55.033 56.287 0.003 0.000 0.896 66 K CB 0.749 33.250 32.500 0.001 0.000 1.479 66 K HN 0.501 nan 8.250 nan 0.000 0.449 67 L N 1.147 122.428 121.223 0.098 0.000 2.416 67 L HA 0.379 4.719 4.340 -0.000 0.000 0.272 67 L C -0.106 176.884 176.870 0.200 0.000 1.161 67 L CA 0.747 55.654 54.840 0.112 0.000 0.845 67 L CB 0.913 43.025 42.059 0.087 0.000 1.119 67 L HN 0.771 nan 8.230 nan 0.000 0.464 68 G N 4.549 113.431 108.800 0.135 0.000 2.379 68 G HA2 0.588 4.547 3.960 -0.000 0.000 0.327 68 G HA3 0.588 4.547 3.960 -0.000 0.000 0.327 68 G C -1.489 173.394 174.900 -0.028 0.000 1.145 68 G CA -0.484 44.692 45.100 0.127 0.000 0.905 68 G HN 0.555 nan 8.290 nan 0.000 0.466 69 V N 1.213 121.112 119.914 -0.025 0.000 2.444 69 V HA 0.718 4.838 4.120 -0.000 0.000 0.294 69 V C 0.329 176.375 176.094 -0.079 0.000 1.022 69 V CA -0.879 61.366 62.300 -0.092 0.000 0.850 69 V CB 1.101 32.885 31.823 -0.066 0.000 0.992 69 V HN 1.075 nan 8.190 nan 0.000 0.426 70 A N 5.595 128.285 122.820 -0.217 0.000 2.317 70 A HA 0.892 5.212 4.320 -0.000 0.000 0.327 70 A C -0.928 176.646 177.584 -0.017 0.000 1.178 70 A CA -0.583 51.380 52.037 -0.123 0.000 0.817 70 A CB 1.310 20.123 19.000 -0.312 0.000 1.189 70 A HN 0.816 nan 8.150 nan 0.000 0.489 71 L N 3.852 125.100 121.223 0.040 0.000 2.381 71 L HA 0.742 5.082 4.340 -0.000 0.000 0.274 71 L C -1.012 175.929 176.870 0.118 0.000 0.988 71 L CA -0.675 54.198 54.840 0.055 0.000 0.824 71 L CB 1.725 43.766 42.059 -0.030 0.000 1.263 71 L HN 0.785 nan 8.230 nan 0.000 0.410 72 V N 0.511 120.502 119.914 0.128 0.000 3.159 72 V HA 0.623 4.743 4.120 -0.000 0.000 0.308 72 V C -0.436 175.699 176.094 0.069 0.000 1.190 72 V CA -0.581 61.790 62.300 0.118 0.000 1.037 72 V CB 1.932 33.833 31.823 0.130 0.000 1.060 72 V HN 0.699 nan 8.190 nan 0.000 0.437 73 T N 0.987 115.547 114.554 0.011 0.000 2.862 73 T HA 0.736 5.086 4.350 -0.000 0.000 0.276 73 T C 0.484 175.106 174.700 -0.129 0.000 0.974 73 T CA 0.357 62.406 62.100 -0.085 0.000 0.966 73 T CB 1.200 69.982 68.868 -0.143 0.000 1.072 73 T HN 1.745 nan 8.240 nan 0.000 0.538 74 A N 0.871 123.501 122.820 -0.317 0.000 2.507 74 A HA 0.532 4.852 4.320 -0.000 0.000 0.235 74 A C 1.401 178.844 177.584 -0.235 0.000 1.070 74 A CA 0.578 52.402 52.037 -0.354 0.000 0.768 74 A CB -1.205 17.356 19.000 -0.730 0.000 1.011 74 A HN 1.763 nan 8.150 nan 0.000 0.502 75 G N 1.404 110.130 108.800 -0.123 0.000 2.536 75 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.277 75 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.277 75 G C 1.519 176.425 174.900 0.010 0.000 1.155 75 G CA 1.043 46.107 45.100 -0.060 0.000 0.960 75 G HN 2.004 nan 8.290 nan 0.000 0.544 76 G N 0.711 109.492 108.800 -0.031 0.000 2.475 76 G HA2 0.167 4.127 3.960 -0.000 0.000 0.220 76 G HA3 0.167 4.127 3.960 -0.000 0.000 0.220 76 G C 1.943 176.824 174.900 -0.032 0.000 1.125 76 G CA 2.309 47.390 45.100 -0.032 0.000 0.755 76 G HN 1.849 nan 8.290 nan 0.000 0.565 77 G N 0.502 109.285 108.800 -0.028 0.000 2.446 77 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 77 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 77 G C 1.603 176.517 174.900 0.023 0.000 1.168 77 G CA 1.012 46.109 45.100 -0.006 0.000 0.771 77 G HN 0.379 nan 8.290 nan 0.000 0.551 78 F N 2.741 122.648 119.950 -0.072 0.000 2.075 78 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 78 F C 3.075 178.829 175.800 -0.076 0.000 1.113 78 F CA 2.523 60.478 58.000 -0.075 0.000 1.218 78 F CB -0.769 38.174 39.000 -0.096 0.000 0.984 78 F HN 0.235 nan 8.300 nan 0.000 0.472 79 T N -1.425 113.005 114.554 -0.207 0.000 2.788 79 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 79 T C 1.687 176.221 174.700 -0.277 0.000 1.044 79 T CA 1.430 63.349 62.100 -0.302 0.000 1.139 79 T CB -0.794 68.029 68.868 -0.073 0.000 0.867 79 T HN 0.256 nan 8.240 nan 0.000 0.454 80 N N 2.280 120.891 118.700 -0.148 0.000 2.443 80 N HA 0.109 4.849 4.740 -0.000 0.000 0.184 80 N C 1.748 177.204 175.510 -0.091 0.000 1.037 80 N CA 1.074 54.107 53.050 -0.029 0.000 0.896 80 N CB -0.478 38.048 38.487 0.065 0.000 0.959 80 N HN 0.702 nan 8.380 nan 0.000 0.442 81 A N -0.175 122.491 122.820 -0.257 0.000 2.238 81 A HA 0.144 4.464 4.320 -0.000 0.000 0.210 81 A C 2.147 179.461 177.584 -0.449 0.000 1.179 81 A CA 0.004 51.866 52.037 -0.291 0.000 0.827 81 A CB -0.030 18.820 19.000 -0.250 0.000 0.856 81 A HN 0.051 nan 8.150 nan 0.000 0.488 82 V N -0.185 119.443 119.914 -0.476 0.000 2.407 82 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 82 V C 2.729 178.643 176.094 -0.300 0.000 1.055 82 V CA 2.576 64.599 62.300 -0.461 0.000 1.049 82 V CB -0.902 30.684 31.823 -0.395 0.000 0.662 82 V HN 0.596 nan 8.190 nan 0.000 0.455 83 T N 0.591 115.017 114.554 -0.213 0.000 2.701 83 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 83 T C -0.069 174.573 174.700 -0.097 0.000 1.040 83 T CA 1.842 63.879 62.100 -0.105 0.000 1.147 83 T CB -1.295 67.560 68.868 -0.021 0.000 0.865 83 T HN 0.464 nan 8.240 nan 0.000 0.426 84 P HA -0.031 nan 4.420 nan 0.000 0.216 84 P C 1.512 178.778 177.300 -0.056 0.000 1.150 84 P CA 1.082 64.017 63.100 -0.274 0.000 0.843 84 P CB -0.281 31.124 31.700 -0.493 0.000 0.787 85 I N -0.181 120.194 120.570 -0.325 0.000 2.179 85 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 85 I C 2.551 178.621 176.117 -0.077 0.000 1.088 85 I CA 1.617 62.660 61.300 -0.428 0.000 1.357 85 I CB -0.931 36.640 38.000 -0.715 0.000 1.051 85 I HN -0.081 nan 8.210 nan 0.000 0.409 86 A N 0.669 123.450 122.820 -0.065 0.000 1.883 86 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 86 A C 2.196 179.885 177.584 0.174 0.000 1.186 86 A CA 2.210 54.293 52.037 0.075 0.000 0.624 86 A CB -1.055 17.963 19.000 0.030 0.000 0.822 86 A HN 0.527 nan 8.150 nan 0.000 0.444 87 N N 0.113 118.888 118.700 0.124 0.000 2.069 87 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 87 N C 1.984 177.581 175.510 0.143 0.000 1.031 87 N CA 1.595 54.727 53.050 0.136 0.000 0.852 87 N CB -0.229 38.366 38.487 0.180 0.000 1.018 87 N HN 0.401 nan 8.380 nan 0.000 0.423 88 A N 1.488 124.420 122.820 0.187 0.000 1.940 88 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 88 A C 2.045 179.765 177.584 0.227 0.000 1.176 88 A CA 1.170 53.329 52.037 0.203 0.000 0.631 88 A CB -1.338 17.849 19.000 0.312 0.000 0.814 88 A HN 0.751 nan 8.150 nan 0.000 0.446 89 W N 0.505 121.838 121.300 0.055 0.000 2.333 89 W HA -0.184 4.476 4.660 -0.000 0.000 0.316 89 W C 1.542 178.087 176.519 0.043 0.000 1.215 89 W CA 1.692 59.067 57.345 0.050 0.000 1.278 89 W CB -0.297 29.184 29.460 0.034 0.000 1.154 89 W HN 0.295 nan 8.180 nan 0.000 0.486 90 L N 0.521 121.767 121.223 0.038 0.000 2.217 90 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 90 L C 1.559 178.307 176.870 -0.203 0.000 1.107 90 L CA 1.161 55.933 54.840 -0.114 0.000 0.783 90 L CB -0.713 41.387 42.059 0.068 0.000 0.919 90 L HN -0.141 nan 8.230 nan 0.000 0.442 91 D N 0.119 120.437 120.400 -0.138 0.000 2.339 91 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 91 D C 0.233 176.451 176.300 -0.136 0.000 1.050 91 D CA 0.027 53.919 54.000 -0.180 0.000 0.856 91 D CB 0.231 40.958 40.800 -0.121 0.000 0.922 91 D HN 0.071 nan 8.370 nan 0.000 0.518 92 R N 0.456 120.890 120.500 -0.111 0.000 3.201 92 R HA -0.128 4.212 4.340 -0.000 0.000 0.254 92 R C -0.305 175.982 176.300 -0.021 0.000 0.978 92 R CA 0.786 56.838 56.100 -0.080 0.000 0.661 92 R CB -2.430 27.802 30.300 -0.113 0.000 1.170 92 R HN 0.248 nan 8.270 nan 0.000 0.430 93 T N -1.184 113.387 114.554 0.029 0.000 2.807 93 T HA 0.591 4.941 4.350 -0.000 0.000 0.279 93 T C -2.661 172.088 174.700 0.082 0.000 0.993 93 T CA -2.264 59.859 62.100 0.038 0.000 0.970 93 T CB 2.120 71.002 68.868 0.024 0.000 0.950 93 T HN -0.037 nan 8.240 nan 0.000 0.441 94 P HA 0.377 nan 4.420 nan 0.000 0.277 94 P C -0.960 176.379 177.300 0.066 0.000 1.354 94 P CA -0.347 62.802 63.100 0.081 0.000 0.891 94 P CB 0.605 32.340 31.700 0.059 0.000 1.058 95 V N 5.438 125.398 119.914 0.077 0.000 2.577 95 V HA 0.281 4.401 4.120 -0.000 0.000 0.303 95 V C 0.190 176.244 176.094 -0.067 0.000 1.042 95 V CA -0.878 61.378 62.300 -0.073 0.000 0.872 95 V CB 2.765 34.445 31.823 -0.238 0.000 0.998 95 V HN 0.446 nan 8.190 nan 0.000 0.423 96 L N 4.975 126.126 121.223 -0.119 0.000 2.265 96 L HA 0.559 4.899 4.340 -0.000 0.000 0.288 96 L C -1.296 175.463 176.870 -0.186 0.000 1.058 96 L CA -0.225 54.598 54.840 -0.029 0.000 0.809 96 L CB 0.814 42.884 42.059 0.018 0.000 1.179 96 L HN 0.559 nan 8.230 nan 0.000 0.429 97 F N 5.687 125.675 119.950 0.063 0.000 2.334 97 F HA 0.369 4.896 4.527 -0.000 0.000 0.367 97 F C 0.053 175.883 175.800 0.050 0.000 1.115 97 F CA -0.430 57.603 58.000 0.055 0.000 1.116 97 F CB 1.033 40.069 39.000 0.061 0.000 1.230 97 F HN 0.258 nan 8.300 nan 0.000 0.484 98 L N 3.097 124.418 121.223 0.163 0.000 2.292 98 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 98 L C 0.326 177.276 176.870 0.133 0.000 1.065 98 L CA -0.271 54.638 54.840 0.116 0.000 0.806 98 L CB 1.554 43.648 42.059 0.059 0.000 1.175 98 L HN 0.499 nan 8.230 nan 0.000 0.431 99 T N 1.799 116.411 114.554 0.097 0.000 2.893 99 T HA 0.639 4.989 4.350 -0.000 0.000 0.293 99 T C 0.060 174.767 174.700 0.012 0.000 1.027 99 T CA -0.406 61.742 62.100 0.080 0.000 0.988 99 T CB 1.466 70.406 68.868 0.120 0.000 1.043 99 T HN 0.710 nan 8.240 nan 0.000 0.461 100 G N 2.017 110.812 108.800 -0.009 0.000 2.599 100 G HA2 0.594 4.554 3.960 -0.000 0.000 0.264 100 G HA3 0.594 4.554 3.960 -0.000 0.000 0.264 100 G C -0.242 174.601 174.900 -0.096 0.000 1.200 100 G CA 0.048 45.127 45.100 -0.035 0.000 0.896 100 G HN 1.228 nan 8.290 nan 0.000 0.536 101 S N -1.624 114.036 115.700 -0.067 0.000 2.727 101 S HA 0.718 5.188 4.470 -0.000 0.000 0.278 101 S C 0.131 174.744 174.600 0.022 0.000 1.186 101 S CA -0.227 57.910 58.200 -0.104 0.000 0.836 101 S CB 0.894 64.020 63.200 -0.123 0.000 1.186 101 S HN 1.427 nan 8.310 nan 0.000 0.499 102 G N 0.296 109.105 108.800 0.015 0.000 2.491 102 G HA2 0.503 4.463 3.960 -0.000 0.000 0.238 102 G HA3 0.503 4.463 3.960 -0.000 0.000 0.238 102 G C 0.469 175.477 174.900 0.180 0.000 1.277 102 G CA -0.151 45.033 45.100 0.141 0.000 0.851 102 G HN 1.339 nan 8.290 nan 0.000 0.573 103 A N 1.288 124.264 122.820 0.260 0.000 2.520 103 A HA 0.274 4.593 4.320 -0.000 0.000 0.235 103 A C 1.595 179.230 177.584 0.084 0.000 1.065 103 A CA -0.214 51.931 52.037 0.181 0.000 0.764 103 A CB 0.205 19.288 19.000 0.139 0.000 1.002 103 A HN 0.724 nan 8.150 nan 0.000 0.502 104 L N 1.558 122.810 121.223 0.048 0.000 2.027 104 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 104 L C 1.814 178.690 176.870 0.010 0.000 1.074 104 L CA 1.299 56.149 54.840 0.017 0.000 0.745 104 L CB -0.586 41.476 42.059 0.004 0.000 0.898 104 L HN 0.903 nan 8.230 nan 0.000 0.433 105 R N 1.430 121.931 120.500 0.003 0.000 2.698 105 R HA -0.087 4.253 4.340 -0.000 0.000 0.266 105 R C 0.562 176.868 176.300 0.009 0.000 1.026 105 R CA 0.586 56.683 56.100 -0.005 0.000 1.102 105 R CB 0.003 30.290 30.300 -0.022 0.000 0.978 105 R HN 0.397 nan 8.270 nan 0.000 0.436 106 D N -0.795 119.610 120.400 0.007 0.000 2.978 106 D HA -0.275 4.365 4.640 -0.000 0.000 0.205 106 D C -0.552 175.764 176.300 0.026 0.000 1.093 106 D CA 1.736 55.748 54.000 0.020 0.000 1.006 106 D CB -1.918 38.900 40.800 0.030 0.000 1.116 106 D HN 0.899 nan 8.370 nan 0.000 0.419 107 D N 0.521 120.932 120.400 0.018 0.000 2.586 107 D HA 0.253 4.893 4.640 -0.000 0.000 0.234 107 D C 0.534 176.837 176.300 0.004 0.000 1.132 107 D CA 1.512 55.517 54.000 0.009 0.000 0.860 107 D CB 0.267 41.066 40.800 -0.001 0.000 1.159 107 D HN 0.375 nan 8.370 nan 0.000 0.490 108 E N 1.690 121.892 120.200 0.003 0.000 2.645 108 E HA -0.182 4.168 4.350 -0.000 0.000 0.282 108 E C 0.044 176.647 176.600 0.005 0.000 1.013 108 E CA 1.241 57.641 56.400 0.000 0.000 0.842 108 E CB -1.647 28.051 29.700 -0.004 0.000 1.396 108 E HN 0.538 nan 8.360 nan 0.000 0.404 109 T N -2.994 111.567 114.554 0.011 0.000 3.132 109 T HA 0.233 4.583 4.350 -0.000 0.000 0.274 109 T C 0.680 175.390 174.700 0.017 0.000 1.011 109 T CA 0.200 62.309 62.100 0.014 0.000 0.899 109 T CB 0.155 69.035 68.868 0.020 0.000 1.089 109 T HN 0.160 nan 8.240 nan 0.000 0.543 110 N N 1.136 119.845 118.700 0.014 0.000 2.714 110 N HA -0.133 4.607 4.740 -0.000 0.000 0.250 110 N C -0.112 175.412 175.510 0.023 0.000 1.117 110 N CA 1.271 54.329 53.050 0.014 0.000 0.719 110 N CB -1.810 36.683 38.487 0.010 0.000 1.081 110 N HN 0.642 nan 8.380 nan 0.000 0.557 111 T N 0.281 114.856 114.554 0.035 0.000 2.910 111 T HA 0.346 4.696 4.350 -0.000 0.000 0.293 111 T C 0.612 175.346 174.700 0.056 0.000 1.015 111 T CA -0.665 61.468 62.100 0.055 0.000 1.094 111 T CB 0.542 69.458 68.868 0.081 0.000 0.968 111 T HN 0.254 nan 8.240 nan 0.000 0.521 112 L N 5.323 126.585 121.223 0.065 0.000 2.747 112 L HA -0.059 4.281 4.340 -0.000 0.000 0.286 112 L C 1.077 177.974 176.870 0.044 0.000 1.216 112 L CA 1.331 56.205 54.840 0.057 0.000 0.930 112 L CB -0.458 41.649 42.059 0.081 0.000 1.216 112 L HN 0.994 nan 8.230 nan 0.000 0.486 113 Q N 1.218 121.004 119.800 -0.023 0.000 2.416 113 Q HA -0.274 4.066 4.340 -0.000 0.000 0.235 113 Q C 0.204 176.136 176.000 -0.112 0.000 0.773 113 Q CA 0.975 56.711 55.803 -0.111 0.000 1.286 113 Q CB -1.745 26.834 28.738 -0.265 0.000 1.556 113 Q HN 0.941 nan 8.270 nan 0.000 0.650 114 A N -0.934 121.866 122.820 -0.033 0.000 2.624 114 A HA 0.802 5.122 4.320 -0.000 0.000 0.267 114 A C 1.334 178.899 177.584 -0.031 0.000 1.282 114 A CA 0.457 52.480 52.037 -0.023 0.000 0.934 114 A CB 0.378 19.395 19.000 0.027 0.000 1.510 114 A HN 0.852 nan 8.150 nan 0.000 0.477 115 G N -1.593 107.189 108.800 -0.030 0.000 2.184 115 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.264 115 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.264 115 G C 0.200 175.078 174.900 -0.037 0.000 0.975 115 G CA 0.736 45.819 45.100 -0.028 0.000 0.642 115 G HN 1.860 nan 8.290 nan 0.000 0.536 116 I N -2.606 117.931 120.570 -0.054 0.000 2.530 116 I HA 0.703 4.872 4.170 -0.000 0.000 0.297 116 I C -1.038 175.016 176.117 -0.105 0.000 1.011 116 I CA -1.254 60.011 61.300 -0.057 0.000 1.107 116 I CB 2.150 40.134 38.000 -0.025 0.000 1.285 116 I HN -0.095 nan 8.210 nan 0.000 0.436 117 D N 4.940 125.279 120.400 -0.102 0.000 2.393 117 D HA 0.167 4.807 4.640 -0.000 0.000 0.232 117 D C 0.538 176.710 176.300 -0.215 0.000 1.192 117 D CA 0.074 53.986 54.000 -0.146 0.000 0.882 117 D CB 1.402 42.137 40.800 -0.108 0.000 1.038 117 D HN 0.690 nan 8.370 nan 0.000 0.499 118 Q N 1.885 121.457 119.800 -0.381 0.000 2.163 118 Q HA -0.035 4.305 4.340 -0.000 0.000 0.198 118 Q C 2.059 177.709 176.000 -0.584 0.000 0.954 118 Q CA 0.649 56.000 55.803 -0.753 0.000 0.851 118 Q CB 0.374 28.298 28.738 -1.357 0.000 0.928 118 Q HN 0.372 nan 8.270 nan 0.000 0.459 119 V N 1.461 121.131 119.914 -0.407 0.000 2.287 119 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 119 V C 2.355 178.340 176.094 -0.181 0.000 1.053 119 V CA 1.957 64.088 62.300 -0.281 0.000 1.027 119 V CB -1.106 30.555 31.823 -0.271 0.000 0.646 119 V HN 0.406 nan 8.190 nan 0.000 0.447 120 A N -0.475 122.253 122.820 -0.153 0.000 1.908 120 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 120 A C 2.242 179.784 177.584 -0.070 0.000 1.181 120 A CA 2.322 54.300 52.037 -0.097 0.000 0.627 120 A CB -0.524 18.428 19.000 -0.080 0.000 0.818 120 A HN 0.516 nan 8.150 nan 0.000 0.445 121 M N -0.926 118.648 119.600 -0.044 0.000 2.296 121 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 121 M C 2.178 178.492 176.300 0.024 0.000 1.064 121 M CA 1.290 56.607 55.300 0.028 0.000 1.109 121 M CB -0.195 32.502 32.600 0.161 0.000 1.396 121 M HN 0.497 nan 8.290 nan 0.000 0.430 122 A N -0.433 122.394 122.820 0.012 0.000 2.169 122 A HA 0.394 4.714 4.320 -0.000 0.000 0.210 122 A C 2.253 179.743 177.584 -0.157 0.000 1.168 122 A CA 0.782 52.799 52.037 -0.032 0.000 0.813 122 A CB -0.390 18.637 19.000 0.046 0.000 0.861 122 A HN 0.387 nan 8.150 nan 0.000 0.481 123 A N 1.327 124.063 122.820 -0.141 0.000 1.917 123 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 123 A C 0.021 177.470 177.584 -0.226 0.000 1.182 123 A CA 1.985 53.930 52.037 -0.153 0.000 0.633 123 A CB -1.675 17.266 19.000 -0.099 0.000 0.819 123 A HN 0.438 nan 8.150 nan 0.000 0.448 124 P HA -0.004 nan 4.420 nan 0.000 0.234 124 P C 0.672 177.629 177.300 -0.572 0.000 1.167 124 P CA 0.861 63.801 63.100 -0.268 0.000 0.763 124 P CB -0.079 31.527 31.700 -0.157 0.000 0.835 125 I N -5.482 114.664 120.570 -0.707 0.000 3.813 125 I HA 0.328 4.498 4.170 -0.000 0.000 0.323 125 I C -0.506 175.017 176.117 -0.991 0.000 1.536 125 I CA -0.542 60.039 61.300 -1.199 0.000 1.083 125 I CB 0.305 37.954 38.000 -0.586 0.000 1.265 125 I HN -0.268 nan 8.210 nan 0.000 0.507 126 T N -3.056 111.041 114.554 -0.761 0.000 2.916 126 T HA 0.470 4.820 4.350 -0.000 0.000 0.292 126 T C 0.469 175.114 174.700 -0.092 0.000 1.055 126 T CA -0.795 61.142 62.100 -0.273 0.000 1.009 126 T CB 2.622 71.438 68.868 -0.087 0.000 1.118 126 T HN 0.101 nan 8.240 nan 0.000 0.497 127 K N -0.475 120.104 120.400 0.298 0.000 2.211 127 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 127 K C -0.224 176.600 176.600 0.373 0.000 1.050 127 K CA 0.883 57.398 56.287 0.381 0.000 0.945 127 K CB 0.104 32.824 32.500 0.366 0.000 0.732 127 K HN 0.623 nan 8.250 nan 0.000 0.451 128 W N -0.720 120.624 121.300 0.074 0.000 3.571 128 W HA 0.462 5.122 4.660 -0.001 0.000 0.294 128 W C -2.153 174.398 176.519 0.055 0.000 1.257 128 W CA -1.056 56.322 57.345 0.057 0.000 1.206 128 W CB 1.244 30.742 29.460 0.064 0.000 1.325 128 W HN -0.185 nan 8.180 nan 0.000 0.546 129 A N 3.938 126.479 122.820 -0.466 0.000 2.408 129 A HA 0.707 5.027 4.320 -0.000 0.000 0.295 129 A C -2.163 175.023 177.584 -0.664 0.000 1.040 129 A CA -0.401 51.351 52.037 -0.475 0.000 0.707 129 A CB 1.516 20.371 19.000 -0.241 0.000 1.235 129 A HN 0.879 nan 8.150 nan 0.000 0.418 130 H N 0.435 119.026 119.070 -0.798 0.000 3.079 130 H HA 0.657 5.213 4.556 -0.000 0.000 0.356 130 H C -0.848 174.245 175.328 -0.392 0.000 1.221 130 H CA -0.425 55.223 56.048 -0.666 0.000 1.185 130 H CB 1.383 30.485 29.762 -1.099 0.000 1.882 130 H HN 0.771 nan 8.280 nan 0.000 0.543 131 R N 3.676 123.687 120.500 -0.814 0.000 2.393 131 R HA 0.534 4.874 4.340 -0.000 0.000 0.310 131 R C -1.208 174.907 176.300 -0.309 0.000 0.968 131 R CA -0.811 55.027 56.100 -0.436 0.000 0.867 131 R CB 1.085 31.173 30.300 -0.353 0.000 1.124 131 R HN 0.395 nan 8.270 nan 0.000 0.450 132 V N 6.374 126.260 119.914 -0.048 0.000 2.555 132 V HA 0.041 4.161 4.120 -0.000 0.000 0.286 132 V C 1.162 177.298 176.094 0.071 0.000 1.044 132 V CA -0.013 62.347 62.300 0.101 0.000 1.026 132 V CB 1.504 33.400 31.823 0.121 0.000 0.981 132 V HN 0.890 nan 8.190 nan 0.000 0.480 133 M N 3.180 122.868 119.600 0.146 0.000 2.516 133 M HA 0.376 4.856 4.480 -0.000 0.000 0.259 133 M C 0.519 176.824 176.300 0.008 0.000 1.146 133 M CA 0.558 55.910 55.300 0.088 0.000 1.122 133 M CB 0.232 32.922 32.600 0.149 0.000 1.341 133 M HN 0.724 nan 8.290 nan 0.000 0.478 134 A N -0.384 122.412 122.820 -0.040 0.000 2.540 134 A HA 0.518 4.837 4.320 -0.000 0.000 0.297 134 A C 0.754 178.270 177.584 -0.114 0.000 1.056 134 A CA -0.494 51.442 52.037 -0.168 0.000 0.700 134 A CB 0.470 19.223 19.000 -0.411 0.000 1.280 134 A HN 0.176 nan 8.150 nan 0.000 0.398 135 T N 1.153 115.671 114.554 -0.060 0.000 2.685 135 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 135 T C 1.400 176.103 174.700 0.004 0.000 1.034 135 T CA 2.616 64.710 62.100 -0.009 0.000 1.149 135 T CB -0.262 68.603 68.868 -0.006 0.000 0.860 135 T HN 0.815 nan 8.240 nan 0.000 0.449 136 E N 0.320 120.494 120.200 -0.043 0.000 2.331 136 E HA -0.112 4.237 4.350 -0.000 0.000 0.199 136 E C 1.741 178.424 176.600 0.139 0.000 1.008 136 E CA 0.927 57.335 56.400 0.013 0.000 0.843 136 E CB -0.411 29.277 29.700 -0.020 0.000 0.761 136 E HN 0.718 nan 8.360 nan 0.000 0.507 137 H N -0.623 118.477 119.070 0.050 0.000 2.535 137 H HA 0.113 4.669 4.556 0.000 0.000 0.273 137 H C 1.741 177.110 175.328 0.068 0.000 0.983 137 H CA 0.043 56.129 56.048 0.063 0.000 1.238 137 H CB 0.151 29.962 29.762 0.082 0.000 1.412 137 H HN 0.107 nan 8.280 nan 0.000 0.562 138 I N 1.264 121.938 120.570 0.175 0.000 2.068 138 I HA -0.244 3.926 4.170 -0.000 0.000 0.238 138 I C -0.638 175.542 176.117 0.105 0.000 1.046 138 I CA 1.470 62.846 61.300 0.126 0.000 1.306 138 I CB -1.002 37.050 38.000 0.087 0.000 1.023 138 I HN 0.214 nan 8.210 nan 0.000 0.399 139 P HA -0.165 nan 4.420 nan 0.000 0.218 139 P C 1.160 178.498 177.300 0.063 0.000 1.149 139 P CA 1.413 64.550 63.100 0.062 0.000 0.817 139 P CB -0.198 31.529 31.700 0.045 0.000 0.785 140 R N -0.912 119.629 120.500 0.069 0.000 2.090 140 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 140 R C 1.742 178.079 176.300 0.062 0.000 1.110 140 R CA 1.054 57.180 56.100 0.044 0.000 0.973 140 R CB -1.552 28.758 30.300 0.017 0.000 0.869 140 R HN 0.068 nan 8.270 nan 0.000 0.440 141 L N 1.308 122.595 121.223 0.107 0.000 2.056 141 L HA -0.068 4.271 4.340 -0.000 0.000 0.207 141 L C 2.454 179.449 176.870 0.208 0.000 1.078 141 L CA 1.097 56.047 54.840 0.185 0.000 0.749 141 L CB -0.536 41.649 42.059 0.209 0.000 0.901 141 L HN 0.038 nan 8.230 nan 0.000 0.433 142 V N -1.038 118.962 119.914 0.143 0.000 2.343 142 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 142 V C 2.495 178.656 176.094 0.112 0.000 1.051 142 V CA 1.818 64.192 62.300 0.124 0.000 1.036 142 V CB -0.431 31.440 31.823 0.079 0.000 0.654 142 V HN 0.382 nan 8.190 nan 0.000 0.451 143 M N -0.752 118.896 119.600 0.080 0.000 2.156 143 M HA -0.129 4.350 4.480 -0.000 0.000 0.264 143 M C 2.170 178.496 176.300 0.043 0.000 1.067 143 M CA 1.663 56.993 55.300 0.051 0.000 1.131 143 M CB -0.538 32.078 32.600 0.028 0.000 1.368 143 M HN 0.268 nan 8.290 nan 0.000 0.416 144 Q N -0.744 119.078 119.800 0.036 0.000 2.112 144 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 144 Q C 1.942 177.976 176.000 0.057 0.000 0.987 144 Q CA 2.056 57.841 55.803 -0.030 0.000 0.858 144 Q CB -0.242 28.428 28.738 -0.113 0.000 0.905 144 Q HN 0.643 nan 8.270 nan 0.000 0.420 145 A N 0.544 123.519 122.820 0.258 0.000 1.883 145 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 145 A C 1.954 179.664 177.584 0.209 0.000 1.186 145 A CA 1.574 53.831 52.037 0.367 0.000 0.624 145 A CB -0.758 18.449 19.000 0.345 0.000 0.822 145 A HN 0.447 nan 8.150 nan 0.000 0.444 146 I N -0.864 119.786 120.570 0.134 0.000 2.264 146 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 146 I C 2.772 178.929 176.117 0.067 0.000 1.111 146 I CA 1.454 62.808 61.300 0.090 0.000 1.382 146 I CB -0.299 37.739 38.000 0.063 0.000 1.060 146 I HN 0.278 nan 8.210 nan 0.000 0.418 147 R N 0.467 120.992 120.500 0.041 0.000 2.092 147 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 147 R C 2.438 178.748 176.300 0.016 0.000 1.119 147 R CA 1.346 57.452 56.100 0.011 0.000 0.970 147 R CB -0.379 29.906 30.300 -0.025 0.000 0.864 147 R HN 0.367 nan 8.270 nan 0.000 0.440 148 A N 1.165 124.001 122.820 0.026 0.000 1.929 148 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 148 A C 2.337 179.986 177.584 0.108 0.000 1.176 148 A CA 1.441 53.506 52.037 0.047 0.000 0.628 148 A CB -0.465 18.571 19.000 0.060 0.000 0.816 148 A HN 0.363 nan 8.150 nan 0.000 0.444 149 A N -0.391 122.509 122.820 0.133 0.000 1.933 149 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 149 A C 2.065 179.704 177.584 0.091 0.000 1.175 149 A CA 1.516 53.634 52.037 0.136 0.000 0.628 149 A CB -0.468 18.615 19.000 0.138 0.000 0.814 149 A HN 0.461 nan 8.150 nan 0.000 0.444 150 L N 0.288 121.549 121.223 0.064 0.000 2.446 150 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 150 L C 1.292 178.178 176.870 0.027 0.000 1.116 150 L CA 0.325 55.189 54.840 0.040 0.000 0.844 150 L CB -0.153 41.924 42.059 0.030 0.000 0.970 150 L HN 0.454 nan 8.230 nan 0.000 0.457 151 S N 0.237 115.954 115.700 0.027 0.000 2.617 151 S HA 0.570 5.040 4.470 -0.000 0.000 0.269 151 S C 0.165 174.777 174.600 0.019 0.000 1.292 151 S CA -0.744 57.466 58.200 0.017 0.000 1.010 151 S CB 1.604 64.810 63.200 0.009 0.000 0.944 151 S HN 0.114 nan 8.310 nan 0.000 0.536 152 A N 2.377 125.203 122.820 0.009 0.000 2.409 152 A HA 0.616 4.936 4.320 -0.000 0.000 0.262 152 A C -2.282 175.305 177.584 0.005 0.000 1.113 152 A CA -1.471 50.568 52.037 0.003 0.000 0.790 152 A CB -0.692 18.305 19.000 -0.004 0.000 1.046 152 A HN 0.712 nan 8.150 nan 0.000 0.496 153 P HA 0.456 nan 4.420 nan 0.000 0.282 153 P C -0.559 176.743 177.300 0.004 0.000 1.249 153 P CA -0.664 62.425 63.100 -0.018 0.000 0.806 153 P CB 0.637 32.306 31.700 -0.051 0.000 0.984 154 R N 0.699 121.201 120.500 0.004 0.000 2.643 154 R HA 0.617 4.957 4.340 -0.000 0.000 0.270 154 R C 0.982 177.313 176.300 0.052 0.000 1.061 154 R CA 0.800 56.920 56.100 0.033 0.000 1.107 154 R CB -0.297 30.016 30.300 0.021 0.000 0.999 154 R HN 0.837 nan 8.270 nan 0.000 0.460 155 G N 1.904 110.776 108.800 0.119 0.000 2.550 155 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 155 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 155 G C -2.995 172.061 174.900 0.260 0.000 1.402 155 G CA -1.083 44.135 45.100 0.195 0.000 0.784 155 G HN 0.409 nan 8.290 nan 0.000 0.482 156 P HA 0.513 nan 4.420 nan 0.000 0.275 156 P C -0.709 176.802 177.300 0.352 0.000 1.228 156 P CA -0.325 63.015 63.100 0.401 0.000 0.786 156 P CB 1.903 33.882 31.700 0.464 0.000 0.927 157 V N 3.268 123.407 119.914 0.374 0.000 2.841 157 V HA 0.423 4.543 4.120 -0.000 0.000 0.310 157 V C -0.244 176.023 176.094 0.289 0.000 1.090 157 V CA -0.754 61.727 62.300 0.302 0.000 0.930 157 V CB 2.126 34.142 31.823 0.321 0.000 1.014 157 V HN 0.424 nan 8.190 nan 0.000 0.425 158 L N 4.827 126.128 121.223 0.129 0.000 2.362 158 L HA 0.701 5.041 4.340 -0.000 0.000 0.275 158 L C -1.310 175.528 176.870 -0.053 0.000 0.998 158 L CA -0.172 54.724 54.840 0.093 0.000 0.820 158 L CB 1.514 43.592 42.059 0.032 0.000 1.270 158 L HN 0.644 nan 8.230 nan 0.000 0.415 159 L N 5.197 126.416 121.223 -0.006 0.000 2.377 159 L HA 0.434 4.774 4.340 -0.000 0.000 0.270 159 L C -1.288 175.552 176.870 -0.049 0.000 0.991 159 L CA -0.447 54.355 54.840 -0.063 0.000 0.851 159 L CB 1.418 43.487 42.059 0.017 0.000 1.218 159 L HN 0.687 nan 8.230 nan 0.000 0.420 160 D N 5.754 126.082 120.400 -0.121 0.000 2.264 160 D HA 0.321 4.961 4.640 -0.000 0.000 0.250 160 D C -1.002 175.256 176.300 -0.070 0.000 1.113 160 D CA -0.111 53.812 54.000 -0.128 0.000 0.871 160 D CB 1.567 42.229 40.800 -0.229 0.000 1.167 160 D HN 0.444 nan 8.370 nan 0.000 0.447 161 L N 5.612 126.818 121.223 -0.029 0.000 2.442 161 L HA 0.310 4.650 4.340 -0.000 0.000 0.261 161 L C -2.293 174.608 176.870 0.052 0.000 1.000 161 L CA -1.802 53.051 54.840 0.022 0.000 0.882 161 L CB 2.134 44.221 42.059 0.048 0.000 1.207 161 L HN 0.207 nan 8.230 nan 0.000 0.443 162 P HA -0.080 nan 4.420 nan 0.000 0.268 162 P C 0.069 177.502 177.300 0.222 0.000 1.208 162 P CA -0.146 63.019 63.100 0.110 0.000 0.777 162 P CB 0.665 32.407 31.700 0.071 0.000 0.875 163 W N 2.462 123.795 121.300 0.056 0.000 2.318 163 W HA -0.186 4.475 4.660 0.001 0.000 0.313 163 W C 1.465 177.986 176.519 0.003 0.000 1.221 163 W CA 1.789 59.158 57.345 0.039 0.000 1.266 163 W CB -1.171 28.308 29.460 0.031 0.000 1.150 163 W HN 0.395 nan 8.180 nan 0.000 0.496 164 D N -0.025 120.440 120.400 0.109 0.000 2.126 164 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 164 D C 2.104 178.410 176.300 0.010 0.000 1.001 164 D CA 2.244 56.235 54.000 -0.015 0.000 0.841 164 D CB -0.640 40.163 40.800 0.005 0.000 0.949 164 D HN 0.079 nan 8.370 nan 0.000 0.446 165 I N 0.203 120.806 120.570 0.055 0.000 2.286 165 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 165 I C 2.366 178.520 176.117 0.061 0.000 1.115 165 I CA 0.821 62.148 61.300 0.046 0.000 1.392 165 I CB -0.271 37.761 38.000 0.053 0.000 1.065 165 I HN 0.052 nan 8.210 nan 0.000 0.418 166 L N -1.467 119.823 121.223 0.111 0.000 2.209 166 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 166 L C 2.345 179.279 176.870 0.105 0.000 1.094 166 L CA 0.874 55.791 54.840 0.129 0.000 0.790 166 L CB -0.308 41.871 42.059 0.200 0.000 0.932 166 L HN 0.220 nan 8.230 nan 0.000 0.447 167 M N -0.810 118.829 119.600 0.065 0.000 2.388 167 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 167 M C 0.534 176.813 176.300 -0.035 0.000 1.088 167 M CA 0.219 55.508 55.300 -0.018 0.000 1.134 167 M CB -0.132 32.355 32.600 -0.188 0.000 1.384 167 M HN 0.147 nan 8.290 nan 0.000 0.447 168 N N 1.954 120.635 118.700 -0.032 0.000 2.356 168 N HA -0.055 4.685 4.740 -0.000 0.000 0.252 168 N C -0.756 174.747 175.510 -0.012 0.000 1.241 168 N CA 0.767 53.798 53.050 -0.031 0.000 0.861 168 N CB 0.457 38.929 38.487 -0.024 0.000 1.075 168 N HN 0.175 nan 8.380 nan 0.000 0.461 169 Q N 1.570 121.360 119.800 -0.017 0.000 2.293 169 Q HA 0.561 4.901 4.340 -0.000 0.000 0.261 169 Q C -0.879 175.118 176.000 -0.005 0.000 0.960 169 Q CA -0.873 54.927 55.803 -0.005 0.000 0.882 169 Q CB 1.287 30.023 28.738 -0.005 0.000 1.275 169 Q HN 0.594 nan 8.270 nan 0.000 0.445 170 I N -1.783 118.788 120.570 0.002 0.000 2.892 170 I HA 0.461 4.631 4.170 -0.000 0.000 0.306 170 I C -0.608 175.514 176.117 0.008 0.000 1.078 170 I CA -1.334 59.968 61.300 0.002 0.000 1.032 170 I CB 1.442 39.443 38.000 0.001 0.000 1.229 170 I HN 0.382 nan 8.210 nan 0.000 0.435 171 D N 2.926 123.329 120.400 0.006 0.000 2.401 171 D HA 0.020 4.660 4.640 -0.000 0.000 0.254 171 D C 1.188 177.497 176.300 0.014 0.000 1.192 171 D CA 0.348 54.353 54.000 0.009 0.000 0.885 171 D CB 0.930 41.734 40.800 0.006 0.000 1.147 171 D HN 0.795 nan 8.370 nan 0.000 0.478 172 E N 2.542 122.753 120.200 0.017 0.000 2.267 172 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 172 E C 0.560 177.172 176.600 0.020 0.000 0.998 172 E CA 0.872 57.285 56.400 0.022 0.000 0.830 172 E CB -0.022 29.694 29.700 0.027 0.000 0.751 172 E HN 0.464 nan 8.360 nan 0.000 0.491 173 D N 1.336 121.745 120.400 0.016 0.000 2.178 173 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 173 D C 2.134 178.444 176.300 0.016 0.000 0.980 173 D CA 1.805 55.814 54.000 0.015 0.000 0.842 173 D CB -0.134 40.673 40.800 0.012 0.000 0.948 173 D HN 0.375 nan 8.370 nan 0.000 0.472 174 S N -0.657 115.052 115.700 0.015 0.000 2.527 174 S HA 0.024 4.494 4.470 -0.000 0.000 0.222 174 S C 0.694 175.307 174.600 0.021 0.000 0.985 174 S CA -0.331 57.878 58.200 0.016 0.000 0.921 174 S CB 0.366 63.573 63.200 0.013 0.000 0.772 174 S HN 0.022 nan 8.310 nan 0.000 0.529 175 V N 1.949 121.877 119.914 0.023 0.000 2.483 175 V HA 0.653 4.773 4.120 -0.000 0.000 0.297 175 V C -0.769 175.342 176.094 0.028 0.000 1.027 175 V CA -1.368 60.949 62.300 0.030 0.000 0.855 175 V CB 1.435 33.279 31.823 0.035 0.000 0.995 175 V HN 0.479 nan 8.190 nan 0.000 0.424 176 I N 8.053 128.640 120.570 0.028 0.000 2.395 176 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 176 I C -0.253 175.879 176.117 0.024 0.000 1.023 176 I CA 0.101 61.415 61.300 0.024 0.000 1.350 176 I CB 0.842 38.855 38.000 0.020 0.000 1.409 176 I HN 0.495 nan 8.210 nan 0.000 0.507 177 I N 10.468 131.050 120.570 0.020 0.000 2.436 177 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 177 I C -1.875 174.251 176.117 0.014 0.000 1.083 177 I CA -2.203 59.107 61.300 0.017 0.000 1.372 177 I CB -0.423 37.584 38.000 0.010 0.000 1.408 177 I HN 0.530 nan 8.210 nan 0.000 0.516 178 P HA 0.296 nan 4.420 nan 0.000 0.279 178 P C -0.590 176.715 177.300 0.008 0.000 1.276 178 P CA -0.526 62.581 63.100 0.011 0.000 0.801 178 P CB 1.590 33.296 31.700 0.010 0.000 1.127 179 D N -0.028 120.376 120.400 0.006 0.000 2.277 179 D HA 0.205 4.845 4.640 -0.000 0.000 0.250 179 D C -0.331 175.971 176.300 0.004 0.000 1.032 179 D CA -0.351 53.652 54.000 0.005 0.000 0.947 179 D CB 1.347 42.150 40.800 0.005 0.000 1.159 179 D HN 0.149 nan 8.370 nan 0.000 0.460 180 L N 2.729 123.955 121.223 0.005 0.000 2.404 180 L HA 0.137 4.477 4.340 -0.000 0.000 0.277 180 L C -0.842 176.030 176.870 0.003 0.000 1.184 180 L CA -0.212 54.631 54.840 0.005 0.000 1.013 180 L CB -0.265 41.798 42.059 0.006 0.000 1.318 180 L HN 0.038 nan 8.230 nan 0.000 0.435 181 V N 6.061 125.976 119.914 0.001 0.000 2.334 181 V HA 0.483 4.602 4.120 -0.000 0.000 0.267 181 V C -0.236 175.859 176.094 0.001 0.000 1.040 181 V CA -0.511 61.790 62.300 0.002 0.000 0.866 181 V CB 0.958 32.781 31.823 0.001 0.000 1.019 181 V HN 0.582 nan 8.190 nan 0.000 0.468 182 L N 5.475 126.701 121.223 0.005 0.000 3.138 182 L HA 0.363 4.703 4.340 -0.000 0.000 0.248 182 L C 0.218 177.095 176.870 0.012 0.000 0.954 182 L CA 0.056 54.900 54.840 0.006 0.000 1.147 182 L CB 1.638 43.697 42.059 0.000 0.000 1.648 182 L HN 0.642 nan 8.230 nan 0.000 0.567 183 S N 2.454 118.174 115.700 0.033 0.000 2.563 183 S HA 0.458 4.928 4.470 -0.000 0.000 0.284 183 S C 1.346 175.957 174.600 0.017 0.000 1.331 183 S CA 0.003 58.239 58.200 0.061 0.000 1.047 183 S CB 1.509 64.800 63.200 0.152 0.000 0.859 183 S HN 0.978 nan 8.310 nan 0.000 0.514 184 A N 1.204 123.973 122.820 -0.084 0.000 2.119 184 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 184 A C 0.877 178.368 177.584 -0.156 0.000 1.152 184 A CA 0.151 52.099 52.037 -0.148 0.000 0.708 184 A CB -0.696 18.181 19.000 -0.205 0.000 0.805 184 A HN 0.919 nan 8.150 nan 0.000 0.460 185 H N 0.151 119.215 119.070 -0.010 0.000 2.683 185 H HA 0.364 4.920 4.556 -0.000 0.000 0.339 185 H C 0.735 176.054 175.328 -0.015 0.000 1.081 185 H CA 0.196 56.236 56.048 -0.013 0.000 1.432 185 H CB 0.708 30.462 29.762 -0.013 0.000 1.462 185 H HN 0.259 nan 8.280 nan 0.000 0.557 186 G N 0.523 109.378 108.800 0.091 0.000 2.477 186 G HA2 0.423 4.383 3.960 -0.000 0.000 0.304 186 G HA3 0.423 4.383 3.960 -0.000 0.000 0.304 186 G C -0.143 174.777 174.900 0.033 0.000 1.175 186 G CA -0.379 44.748 45.100 0.044 0.000 0.907 186 G HN 0.820 nan 8.290 nan 0.000 0.509 187 A N 0.504 123.333 122.820 0.015 0.000 2.531 187 A HA 0.499 4.819 4.320 -0.000 0.000 0.236 187 A C 0.954 178.534 177.584 -0.006 0.000 1.062 187 A CA 0.041 52.080 52.037 0.003 0.000 0.760 187 A CB 0.076 19.075 19.000 -0.000 0.000 0.995 187 A HN 0.945 nan 8.150 nan 0.000 0.501 188 R N 1.959 122.452 120.500 -0.012 0.000 2.828 188 R HA 0.718 5.058 4.340 -0.000 0.000 0.264 188 R C -2.916 173.373 176.300 -0.018 0.000 1.022 188 R CA -1.807 54.280 56.100 -0.021 0.000 1.021 188 R CB 0.211 30.495 30.300 -0.026 0.000 1.163 188 R HN 0.402 nan 8.270 nan 0.000 0.494 189 P HA -0.038 nan 4.420 nan 0.000 0.269 189 P C -0.792 176.502 177.300 -0.011 0.000 1.215 189 P CA -0.108 62.983 63.100 -0.015 0.000 0.780 189 P CB 0.401 32.090 31.700 -0.017 0.000 0.898 190 D N 3.323 123.720 120.400 -0.006 0.000 2.525 190 D HA -0.064 4.576 4.640 -0.000 0.000 0.235 190 D C -1.113 175.187 176.300 0.000 0.000 1.137 190 D CA -1.009 52.989 54.000 -0.003 0.000 0.868 190 D CB 0.718 41.518 40.800 0.000 0.000 1.180 190 D HN 0.169 nan 8.370 nan 0.000 0.465 191 P HA -0.193 nan 4.420 nan 0.000 0.216 191 P C 1.067 178.374 177.300 0.013 0.000 1.150 191 P CA 1.420 64.524 63.100 0.007 0.000 0.843 191 P CB 0.039 31.743 31.700 0.006 0.000 0.787 192 A N 0.559 123.386 122.820 0.010 0.000 1.902 192 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 192 A C 2.093 179.687 177.584 0.017 0.000 1.181 192 A CA 2.071 54.116 52.037 0.013 0.000 0.623 192 A CB -1.242 17.763 19.000 0.009 0.000 0.818 192 A HN 0.099 nan 8.150 nan 0.000 0.443 193 D N -0.415 119.993 120.400 0.014 0.000 2.097 193 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 193 D C 1.879 178.193 176.300 0.023 0.000 0.989 193 D CA 1.212 55.222 54.000 0.017 0.000 0.827 193 D CB -0.491 40.316 40.800 0.011 0.000 0.966 193 D HN 0.300 nan 8.370 nan 0.000 0.456 194 L N 1.457 122.691 121.223 0.018 0.000 2.013 194 L HA -0.205 4.134 4.340 -0.000 0.000 0.212 194 L C 1.588 178.490 176.870 0.053 0.000 1.073 194 L CA 1.817 56.671 54.840 0.022 0.000 0.753 194 L CB -0.413 41.651 42.059 0.009 0.000 0.890 194 L HN -0.110 nan 8.230 nan 0.000 0.432 195 D N -1.310 119.119 120.400 0.050 0.000 2.144 195 D HA -0.176 4.464 4.640 -0.000 0.000 0.200 195 D C 2.201 178.538 176.300 0.061 0.000 0.978 195 D CA 0.793 54.829 54.000 0.061 0.000 0.833 195 D CB -0.107 40.717 40.800 0.040 0.000 0.961 195 D HN 0.400 nan 8.370 nan 0.000 0.470 196 Q N 0.247 120.075 119.800 0.047 0.000 2.124 196 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 196 Q C 2.098 178.136 176.000 0.063 0.000 0.977 196 Q CA 1.118 56.947 55.803 0.044 0.000 0.850 196 Q CB -0.166 28.591 28.738 0.032 0.000 0.901 196 Q HN 0.235 nan 8.270 nan 0.000 0.429 197 A N 0.811 123.675 122.820 0.074 0.000 1.855 197 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 197 A C 2.251 179.931 177.584 0.160 0.000 1.191 197 A CA 1.063 53.158 52.037 0.097 0.000 0.613 197 A CB -0.854 18.193 19.000 0.077 0.000 0.829 197 A HN 0.329 nan 8.150 nan 0.000 0.442 198 L N -0.542 120.802 121.223 0.201 0.000 2.021 198 L HA -0.299 4.041 4.340 -0.000 0.000 0.215 198 L C 3.121 180.133 176.870 0.237 0.000 1.074 198 L CA 1.351 56.396 54.840 0.340 0.000 0.760 198 L CB -0.703 41.568 42.059 0.352 0.000 0.889 198 L HN 0.468 nan 8.230 nan 0.000 0.433 199 A N 0.084 122.973 122.820 0.115 0.000 1.892 199 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 199 A C 2.256 179.872 177.584 0.052 0.000 1.188 199 A CA 1.788 53.849 52.037 0.041 0.000 0.631 199 A CB -0.785 18.228 19.000 0.023 0.000 0.822 199 A HN 0.386 nan 8.150 nan 0.000 0.447 200 L N -1.389 119.883 121.223 0.080 0.000 2.093 200 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 200 L C 2.522 179.457 176.870 0.108 0.000 1.085 200 L CA 0.925 55.810 54.840 0.075 0.000 0.755 200 L CB -0.443 41.658 42.059 0.071 0.000 0.904 200 L HN 0.426 nan 8.230 nan 0.000 0.435 201 L N 0.005 121.339 121.223 0.185 0.000 2.083 201 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 201 L C 2.681 179.745 176.870 0.323 0.000 1.083 201 L CA 1.652 56.653 54.840 0.270 0.000 0.752 201 L CB -0.548 41.738 42.059 0.379 0.000 0.899 201 L HN 0.108 nan 8.230 nan 0.000 0.433 202 R N 0.047 120.688 120.500 0.236 0.000 2.115 202 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 202 R C 1.599 177.905 176.300 0.011 0.000 1.111 202 R CA 1.407 57.519 56.100 0.020 0.000 0.976 202 R CB -0.031 30.051 30.300 -0.363 0.000 0.870 202 R HN 0.463 nan 8.270 nan 0.000 0.445 203 K N -0.649 119.760 120.400 0.015 0.000 2.410 203 K HA 0.241 4.561 4.320 -0.000 0.000 0.200 203 K C -0.543 176.055 176.600 -0.005 0.000 1.023 203 K CA -0.027 56.256 56.287 -0.007 0.000 1.149 203 K CB 0.987 33.475 32.500 -0.021 0.000 0.859 203 K HN -0.011 nan 8.250 nan 0.000 0.514 204 A N 1.663 124.489 122.820 0.010 0.000 2.301 204 A HA 0.223 4.543 4.320 -0.000 0.000 0.312 204 A C 0.589 178.125 177.584 -0.078 0.000 1.182 204 A CA -0.686 51.333 52.037 -0.031 0.000 0.826 204 A CB 0.711 19.703 19.000 -0.014 0.000 1.134 204 A HN 0.349 nan 8.150 nan 0.000 0.501 205 E N 1.592 121.708 120.200 -0.141 0.000 2.072 205 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 205 E C 0.149 176.485 176.600 -0.441 0.000 0.982 205 E CA 0.812 57.091 56.400 -0.201 0.000 0.803 205 E CB 0.080 29.678 29.700 -0.170 0.000 0.755 205 E HN 0.649 nan 8.360 nan 0.000 0.453 206 R N 1.258 121.372 120.500 -0.643 0.000 2.835 206 R HA 0.236 4.576 4.340 -0.000 0.000 0.290 206 R C -2.529 173.327 176.300 -0.740 0.000 1.410 206 R CA -1.408 53.810 56.100 -1.469 0.000 1.590 206 R CB 1.071 30.349 30.300 -1.702 0.000 1.288 206 R HN 0.110 nan 8.270 nan 0.000 0.637 207 P HA 0.193 nan 4.420 nan 0.000 0.274 207 P C -0.314 177.219 177.300 0.388 0.000 1.246 207 P CA -0.236 62.913 63.100 0.081 0.000 0.795 207 P CB 1.591 33.349 31.700 0.097 0.000 1.006 208 V N 1.923 121.999 119.914 0.270 0.000 2.924 208 V HA 0.304 4.424 4.120 -0.000 0.000 0.300 208 V C -0.171 176.034 176.094 0.185 0.000 1.227 208 V CA -0.478 61.996 62.300 0.289 0.000 0.954 208 V CB 2.178 34.138 31.823 0.228 0.000 1.055 208 V HN 0.367 nan 8.190 nan 0.000 0.429 209 I N 4.189 124.879 120.570 0.200 0.000 2.412 209 I HA 0.643 4.813 4.170 -0.000 0.000 0.296 209 I C -0.699 175.516 176.117 0.164 0.000 0.987 209 I CA -0.795 60.599 61.300 0.156 0.000 1.180 209 I CB 2.048 40.140 38.000 0.154 0.000 1.340 209 I HN 0.284 nan 8.210 nan 0.000 0.455 210 V N 6.908 126.873 119.914 0.085 0.000 2.444 210 V HA 0.437 4.557 4.120 -0.000 0.000 0.294 210 V C -0.117 175.991 176.094 0.023 0.000 1.022 210 V CA -0.624 61.711 62.300 0.059 0.000 0.850 210 V CB 1.589 33.394 31.823 -0.030 0.000 0.992 210 V HN 0.460 nan 8.190 nan 0.000 0.426 211 L N 3.826 125.070 121.223 0.035 0.000 2.343 211 L HA 0.900 5.240 4.340 -0.000 0.000 0.275 211 L C 0.858 177.720 176.870 -0.013 0.000 1.056 211 L CA -0.073 54.773 54.840 0.010 0.000 0.804 211 L CB 1.513 43.585 42.059 0.022 0.000 1.203 211 L HN 0.774 nan 8.230 nan 0.000 0.440 212 G N -0.710 108.072 108.800 -0.031 0.000 3.140 212 G HA2 0.354 4.314 3.960 -0.000 0.000 0.271 212 G HA3 0.354 4.314 3.960 -0.000 0.000 0.271 212 G C 0.601 175.473 174.900 -0.047 0.000 1.370 212 G CA 0.257 45.327 45.100 -0.051 0.000 1.014 212 G HN 0.623 nan 8.290 nan 0.000 0.541 213 S N -0.769 114.890 115.700 -0.068 0.000 2.400 213 S HA -0.126 4.344 4.470 -0.000 0.000 0.232 213 S C 1.559 176.130 174.600 -0.050 0.000 1.025 213 S CA 1.874 60.036 58.200 -0.064 0.000 0.993 213 S CB -0.209 62.932 63.200 -0.097 0.000 0.808 213 S HN 0.502 nan 8.310 nan 0.000 0.478 214 E N 1.654 121.824 120.200 -0.050 0.000 2.268 214 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 214 E C 2.329 178.910 176.600 -0.031 0.000 0.995 214 E CA 0.965 57.342 56.400 -0.039 0.000 0.836 214 E CB -0.570 29.108 29.700 -0.038 0.000 0.763 214 E HN 0.732 nan 8.360 nan 0.000 0.491 215 A N 0.842 123.645 122.820 -0.029 0.000 1.930 215 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 215 A C 2.442 180.015 177.584 -0.019 0.000 1.175 215 A CA 1.552 53.576 52.037 -0.021 0.000 0.627 215 A CB -0.293 18.699 19.000 -0.013 0.000 0.815 215 A HN 0.147 nan 8.150 nan 0.000 0.443 216 S N -0.439 115.249 115.700 -0.019 0.000 2.428 216 S HA -0.057 4.413 4.470 -0.000 0.000 0.230 216 S C 1.942 176.527 174.600 -0.026 0.000 1.014 216 S CA 0.689 58.877 58.200 -0.019 0.000 0.957 216 S CB -0.174 63.016 63.200 -0.017 0.000 0.784 216 S HN 0.529 nan 8.310 nan 0.000 0.499 217 R N 1.215 121.698 120.500 -0.028 0.000 2.193 217 R HA 0.042 4.382 4.340 -0.000 0.000 0.213 217 R C 2.277 178.561 176.300 -0.027 0.000 1.055 217 R CA 1.459 57.542 56.100 -0.027 0.000 0.995 217 R CB -1.162 29.124 30.300 -0.023 0.000 0.893 217 R HN 0.634 nan 8.270 nan 0.000 0.459 218 T N -2.637 111.901 114.554 -0.026 0.000 3.033 218 T HA 0.301 4.651 4.350 -0.000 0.000 0.248 218 T C 1.174 175.857 174.700 -0.029 0.000 1.040 218 T CA 0.573 62.656 62.100 -0.028 0.000 1.133 218 T CB 0.170 69.023 68.868 -0.025 0.000 0.895 218 T HN 0.196 nan 8.240 nan 0.000 0.465 219 A N 2.072 124.878 122.820 -0.025 0.000 2.869 219 A HA -0.149 4.171 4.320 -0.000 0.000 0.280 219 A C 0.666 178.238 177.584 -0.020 0.000 1.458 219 A CA 0.457 52.480 52.037 -0.023 0.000 0.776 219 A CB -2.213 16.769 19.000 -0.029 0.000 1.028 219 A HN 0.583 nan 8.150 nan 0.000 0.547 220 R N -0.139 120.351 120.500 -0.016 0.000 4.154 220 R HA 0.146 4.486 4.340 -0.000 0.000 0.186 220 R C 0.987 177.285 176.300 -0.004 0.000 1.750 220 R CA 0.573 56.667 56.100 -0.011 0.000 1.431 220 R CB -0.283 30.011 30.300 -0.011 0.000 1.383 220 R HN 0.724 nan 8.270 nan 0.000 0.788 221 K N -0.048 120.348 120.400 -0.006 0.000 2.097 221 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 221 K C 2.112 178.713 176.600 0.002 0.000 1.050 221 K CA 1.818 58.103 56.287 -0.004 0.000 0.938 221 K CB -0.067 32.426 32.500 -0.010 0.000 0.718 221 K HN 0.308 nan 8.250 nan 0.000 0.442 222 T N 0.323 114.878 114.554 0.002 0.000 2.770 222 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 222 T C 2.119 176.829 174.700 0.016 0.000 1.039 222 T CA 1.114 63.218 62.100 0.005 0.000 1.142 222 T CB -0.259 68.610 68.868 0.002 0.000 0.868 222 T HN 0.195 nan 8.240 nan 0.000 0.435 223 A N 1.570 124.401 122.820 0.017 0.000 1.892 223 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 223 A C 2.355 179.973 177.584 0.057 0.000 1.188 223 A CA 1.931 53.984 52.037 0.026 0.000 0.631 223 A CB -1.221 17.783 19.000 0.007 0.000 0.822 223 A HN 0.547 nan 8.150 nan 0.000 0.447 224 L N 0.130 121.384 121.223 0.052 0.000 1.990 224 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 224 L C 2.664 179.586 176.870 0.088 0.000 1.072 224 L CA 2.592 57.488 54.840 0.092 0.000 0.755 224 L CB -0.782 41.309 42.059 0.053 0.000 0.889 224 L HN 0.353 nan 8.230 nan 0.000 0.432 225 S N -0.330 115.390 115.700 0.033 0.000 2.368 225 S HA -0.312 4.158 4.470 -0.000 0.000 0.226 225 S C 2.091 176.692 174.600 0.001 0.000 1.044 225 S CA 1.503 59.703 58.200 0.001 0.000 1.062 225 S CB -0.873 62.323 63.200 -0.007 0.000 0.931 225 S HN 0.695 nan 8.310 nan 0.000 0.440 226 A N 0.776 123.614 122.820 0.031 0.000 1.892 226 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 226 A C 1.979 179.579 177.584 0.026 0.000 1.188 226 A CA 1.957 54.011 52.037 0.029 0.000 0.631 226 A CB -0.977 18.053 19.000 0.049 0.000 0.822 226 A HN 0.567 nan 8.150 nan 0.000 0.447 227 F N 0.291 120.182 119.950 -0.097 0.000 2.163 227 F HA -0.104 4.423 4.527 0.000 0.000 0.297 227 F C 2.180 177.872 175.800 -0.180 0.000 1.094 227 F CA 1.719 59.633 58.000 -0.145 0.000 1.290 227 F CB -0.030 38.901 39.000 -0.114 0.000 1.017 227 F HN 0.038 nan 8.300 nan 0.000 0.483 228 V N 0.788 120.507 119.914 -0.325 0.000 2.295 228 V HA -0.306 3.813 4.120 -0.000 0.000 0.246 228 V C 2.741 178.648 176.094 -0.311 0.000 1.049 228 V CA 1.765 63.841 62.300 -0.374 0.000 1.024 228 V CB -1.533 30.191 31.823 -0.165 0.000 0.648 228 V HN 0.494 nan 8.190 nan 0.000 0.447 229 A N 0.206 122.908 122.820 -0.197 0.000 1.858 229 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 229 A C 2.466 179.939 177.584 -0.185 0.000 1.190 229 A CA 2.270 54.219 52.037 -0.146 0.000 0.617 229 A CB -1.025 17.925 19.000 -0.083 0.000 0.827 229 A HN 0.585 nan 8.150 nan 0.000 0.443 230 A N -0.727 121.958 122.820 -0.224 0.000 1.948 230 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 230 A C 2.343 179.649 177.584 -0.463 0.000 1.177 230 A CA 2.810 54.684 52.037 -0.271 0.000 0.636 230 A CB -1.095 17.757 19.000 -0.247 0.000 0.815 230 A HN 0.901 nan 8.150 nan 0.000 0.449 231 T N -5.489 108.664 114.554 -0.669 0.000 2.990 231 T HA 0.412 4.762 4.350 -0.000 0.000 0.250 231 T C 1.367 175.858 174.700 -0.349 0.000 1.041 231 T CA 1.094 62.704 62.100 -0.817 0.000 1.010 231 T CB 0.075 68.155 68.868 -1.313 0.000 1.003 231 T HN 1.773 nan 8.240 nan 0.000 0.499 232 G N 1.323 109.955 108.800 -0.280 0.000 2.225 232 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.267 232 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.267 232 G C -0.027 174.827 174.900 -0.076 0.000 1.024 232 G CA 0.167 45.190 45.100 -0.129 0.000 0.784 232 G HN 0.755 nan 8.290 nan 0.000 0.507 233 V N 1.708 121.532 119.914 -0.151 0.000 2.407 233 V HA 0.424 4.543 4.120 -0.000 0.000 0.278 233 V C -1.266 174.808 176.094 -0.032 0.000 1.037 233 V CA -1.714 60.570 62.300 -0.026 0.000 0.900 233 V CB 1.484 33.265 31.823 -0.070 0.000 0.983 233 V HN 0.177 nan 8.190 nan 0.000 0.459 234 P HA 0.115 nan 4.420 nan 0.000 0.267 234 P C -0.767 176.516 177.300 -0.028 0.000 1.200 234 P CA 0.088 63.136 63.100 -0.087 0.000 0.772 234 P CB 0.534 32.143 31.700 -0.152 0.000 0.855 235 V N 3.399 123.219 119.914 -0.156 0.000 2.448 235 V HA 0.418 4.538 4.120 -0.000 0.000 0.295 235 V C 0.062 176.014 176.094 -0.237 0.000 1.025 235 V CA -0.369 61.893 62.300 -0.063 0.000 0.859 235 V CB 0.602 32.392 31.823 -0.055 0.000 0.988 235 V HN 0.360 nan 8.190 nan 0.000 0.431 236 F N 2.043 121.961 119.950 -0.054 0.000 2.518 236 F HA 0.923 5.450 4.527 -0.000 0.000 0.338 236 F C 0.557 176.336 175.800 -0.035 0.000 1.065 236 F CA -0.669 57.298 58.000 -0.054 0.000 1.012 236 F CB 1.721 40.672 39.000 -0.081 0.000 1.297 236 F HN 0.634 nan 8.300 nan 0.000 0.489 237 A N 0.341 123.276 122.820 0.192 0.000 2.594 237 A HA 0.535 4.855 4.320 -0.000 0.000 0.295 237 A C -1.609 176.028 177.584 0.088 0.000 1.071 237 A CA -0.885 51.213 52.037 0.102 0.000 0.685 237 A CB 1.110 20.156 19.000 0.077 0.000 1.285 237 A HN 0.742 nan 8.150 nan 0.000 0.405 238 D N -0.167 120.248 120.400 0.026 0.000 2.414 238 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 238 D C 0.643 177.005 176.300 0.104 0.000 1.252 238 D CA -0.066 53.910 54.000 -0.040 0.000 0.999 238 D CB 0.076 40.799 40.800 -0.128 0.000 1.093 238 D HN 0.407 nan 8.370 nan 0.000 0.515 239 Y N -1.132 119.231 120.300 0.105 0.000 2.151 239 Y HA -0.106 4.444 4.550 -0.000 0.000 0.284 239 Y C 2.306 178.284 175.900 0.131 0.000 1.166 239 Y CA 1.617 59.824 58.100 0.179 0.000 1.163 239 Y CB -0.848 37.637 38.460 0.041 0.000 0.974 239 Y HN 0.541 nan 8.280 nan 0.000 0.511 240 E N -0.541 119.756 120.200 0.161 0.000 2.371 240 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 240 E C 2.101 178.738 176.600 0.060 0.000 1.012 240 E CA 0.793 57.225 56.400 0.054 0.000 0.860 240 E CB -0.339 29.341 29.700 -0.033 0.000 0.811 240 E HN 0.332 nan 8.360 nan 0.000 0.502 241 G N -0.251 108.597 108.800 0.080 0.000 3.233 241 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.234 241 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.234 241 G C 1.097 176.044 174.900 0.078 0.000 1.137 241 G CA -0.000 45.133 45.100 0.056 0.000 0.763 241 G HN 0.269 nan 8.290 nan 0.000 0.549 242 L N 1.960 123.267 121.223 0.139 0.000 2.093 242 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 242 L C 2.931 179.831 176.870 0.050 0.000 1.085 242 L CA 2.501 57.404 54.840 0.105 0.000 0.755 242 L CB -0.443 41.699 42.059 0.137 0.000 0.904 242 L HN 0.247 nan 8.230 nan 0.000 0.435 243 S N -1.632 114.110 115.700 0.070 0.000 2.419 243 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 243 S C 1.872 176.476 174.600 0.007 0.000 1.016 243 S CA 1.074 59.293 58.200 0.032 0.000 0.974 243 S CB -0.605 62.619 63.200 0.041 0.000 0.786 243 S HN 0.379 nan 8.310 nan 0.000 0.492 244 M N 1.353 120.959 119.600 0.011 0.000 2.530 244 M HA 0.162 4.642 4.480 -0.000 0.000 0.261 244 M C 1.421 177.714 176.300 -0.011 0.000 1.067 244 M CA 0.773 56.074 55.300 0.000 0.000 1.071 244 M CB -1.306 31.298 32.600 0.006 0.000 1.405 244 M HN 0.415 nan 8.290 nan 0.000 0.478 245 L N -1.869 119.342 121.223 -0.020 0.000 2.628 245 L HA 0.075 4.415 4.340 -0.000 0.000 0.229 245 L C 1.705 178.542 176.870 -0.055 0.000 1.137 245 L CA -0.063 54.749 54.840 -0.046 0.000 0.909 245 L CB -0.391 41.627 42.059 -0.068 0.000 1.137 245 L HN 0.101 nan 8.230 nan 0.000 0.470 246 S N 0.302 115.978 115.700 -0.041 0.000 2.528 246 S HA 0.054 4.524 4.470 -0.000 0.000 0.219 246 S C 1.777 176.351 174.600 -0.042 0.000 0.985 246 S CA 0.688 58.861 58.200 -0.045 0.000 0.914 246 S CB 0.280 63.459 63.200 -0.035 0.000 0.776 246 S HN 0.551 nan 8.310 nan 0.000 0.526 247 G N 0.747 109.525 108.800 -0.037 0.000 3.284 247 G HA2 0.379 4.339 3.960 -0.000 0.000 0.236 247 G HA3 0.379 4.339 3.960 -0.000 0.000 0.236 247 G C 0.035 174.911 174.900 -0.041 0.000 1.158 247 G CA -0.157 44.922 45.100 -0.034 0.000 0.774 247 G HN 0.298 nan 8.290 nan 0.000 0.545 248 L N 1.572 122.763 121.223 -0.052 0.000 2.329 248 L HA 0.394 4.733 4.340 -0.000 0.000 0.279 248 L C -2.013 174.813 176.870 -0.073 0.000 1.014 248 L CA -2.335 52.468 54.840 -0.062 0.000 0.814 248 L CB 2.244 44.260 42.059 -0.072 0.000 1.257 248 L HN -0.105 nan 8.230 nan 0.000 0.424 249 P HA -0.016 nan 4.420 nan 0.000 0.265 249 P C -0.557 176.688 177.300 -0.091 0.000 1.187 249 P CA 0.022 63.078 63.100 -0.074 0.000 0.766 249 P CB 0.826 32.485 31.700 -0.070 0.000 0.820 250 D N 2.073 122.419 120.400 -0.090 0.000 2.269 250 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 250 D C 1.934 178.164 176.300 -0.117 0.000 0.963 250 D CA 1.230 55.166 54.000 -0.107 0.000 0.864 250 D CB -0.407 40.334 40.800 -0.098 0.000 0.936 250 D HN 0.414 nan 8.370 nan 0.000 0.505 251 A N 0.611 123.370 122.820 -0.102 0.000 2.216 251 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 251 A C 1.508 179.013 177.584 -0.131 0.000 1.160 251 A CA 0.753 52.729 52.037 -0.103 0.000 0.725 251 A CB -0.456 18.499 19.000 -0.076 0.000 0.784 251 A HN 0.314 nan 8.150 nan 0.000 0.472 252 M N -1.569 117.944 119.600 -0.145 0.000 2.705 252 M HA 0.372 4.852 4.480 -0.000 0.000 0.387 252 M C -0.415 175.751 176.300 -0.225 0.000 1.204 252 M CA -0.204 54.990 55.300 -0.176 0.000 0.905 252 M CB 0.274 32.790 32.600 -0.139 0.000 1.394 252 M HN 0.020 nan 8.290 nan 0.000 0.515 253 R N 1.108 121.463 120.500 -0.242 0.000 2.207 253 R HA 0.462 4.802 4.340 -0.000 0.000 0.334 253 R C 1.203 177.223 176.300 -0.466 0.000 1.013 253 R CA -0.173 55.748 56.100 -0.298 0.000 0.858 253 R CB 1.317 31.491 30.300 -0.209 0.000 1.094 253 R HN 0.429 nan 8.270 nan 0.000 0.457 254 G N 1.820 110.106 108.800 -0.858 0.000 2.777 254 G HA2 0.221 4.181 3.960 -0.000 0.000 0.211 254 G HA3 0.221 4.181 3.960 -0.000 0.000 0.211 254 G C 0.803 175.258 174.900 -0.742 0.000 1.149 254 G CA 0.523 44.759 45.100 -1.439 0.000 0.785 254 G HN 0.918 nan 8.290 nan 0.000 0.536 255 G N -0.119 108.421 108.800 -0.434 0.000 2.525 255 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 255 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 255 G C 0.010 174.947 174.900 0.062 0.000 1.238 255 G CA -0.238 44.788 45.100 -0.123 0.000 0.926 255 G HN 0.549 nan 8.290 nan 0.000 0.574 256 L N 1.245 122.564 121.223 0.160 0.000 2.426 256 L HA 0.218 4.558 4.340 -0.000 0.000 0.271 256 L C 2.383 179.426 176.870 0.288 0.000 1.169 256 L CA -0.028 54.944 54.840 0.220 0.000 0.836 256 L CB 1.205 43.411 42.059 0.244 0.000 1.112 256 L HN 0.662 nan 8.230 nan 0.000 0.465 257 V N 0.681 120.706 119.914 0.186 0.000 2.370 257 V HA -0.348 3.772 4.120 -0.000 0.000 0.252 257 V C 2.326 178.436 176.094 0.026 0.000 1.068 257 V CA 2.195 64.521 62.300 0.044 0.000 1.061 257 V CB -1.431 30.360 31.823 -0.054 0.000 0.656 257 V HN 1.080 nan 8.190 nan 0.000 0.455 258 Q N 3.345 123.195 119.800 0.082 0.000 2.217 258 Q HA -0.293 4.047 4.340 -0.000 0.000 0.209 258 Q C 1.579 177.677 176.000 0.164 0.000 0.988 258 Q CA 2.227 58.092 55.803 0.103 0.000 0.878 258 Q CB -0.955 27.858 28.738 0.125 0.000 0.909 258 Q HN 0.854 nan 8.270 nan 0.000 0.424 259 N N 0.059 118.885 118.700 0.210 0.000 2.362 259 N HA -0.009 4.731 4.740 -0.000 0.000 0.204 259 N C 0.842 176.551 175.510 0.331 0.000 1.166 259 N CA 0.063 53.291 53.050 0.297 0.000 0.831 259 N CB 0.182 38.861 38.487 0.319 0.000 1.008 259 N HN 0.139 nan 8.380 nan 0.000 0.472 260 L N -0.273 120.969 121.223 0.032 0.000 2.551 260 L HA 0.044 4.384 4.340 -0.000 0.000 0.228 260 L C 1.523 178.493 176.870 0.167 0.000 1.153 260 L CA 0.620 55.334 54.840 -0.209 0.000 0.851 260 L CB -1.531 40.243 42.059 -0.476 0.000 0.959 260 L HN 0.232 nan 8.230 nan 0.000 0.451 261 Y N 1.314 121.687 120.300 0.122 0.000 2.053 261 Y HA -0.345 4.205 4.550 -0.000 0.000 0.277 261 Y C 2.856 178.851 175.900 0.157 0.000 1.159 261 Y CA 2.273 60.438 58.100 0.108 0.000 1.125 261 Y CB -0.233 38.278 38.460 0.085 0.000 0.969 261 Y HN 0.290 nan 8.280 nan 0.000 0.492 262 S N -0.585 115.245 115.700 0.216 0.000 2.561 262 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 262 S C 1.805 176.426 174.600 0.035 0.000 0.977 262 S CA 0.295 58.523 58.200 0.046 0.000 0.926 262 S CB -1.269 61.996 63.200 0.108 0.000 0.769 262 S HN 0.436 nan 8.310 nan 0.000 0.533 263 F N 2.211 122.150 119.950 -0.018 0.000 2.095 263 F HA -0.046 4.481 4.527 0.000 0.000 0.298 263 F C 2.939 178.734 175.800 -0.009 0.000 1.104 263 F CA 1.129 59.144 58.000 0.025 0.000 1.232 263 F CB -0.759 38.280 39.000 0.066 0.000 0.987 263 F HN 0.363 nan 8.300 nan 0.000 0.475 264 A N 0.009 122.897 122.820 0.112 0.000 1.851 264 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 264 A C 2.095 179.641 177.584 -0.063 0.000 1.195 264 A CA 1.539 53.569 52.037 -0.012 0.000 0.622 264 A CB -0.809 18.136 19.000 -0.092 0.000 0.831 264 A HN 0.200 nan 8.150 nan 0.000 0.444 265 K N 0.127 120.439 120.400 -0.147 0.000 2.678 265 K HA -0.006 4.314 4.320 -0.000 0.000 0.194 265 K C 0.263 176.823 176.600 -0.067 0.000 1.031 265 K CA 0.898 57.101 56.287 -0.141 0.000 0.961 265 K CB -0.505 31.855 32.500 -0.233 0.000 0.793 265 K HN 0.499 nan 8.250 nan 0.000 0.492 266 A N 0.534 123.327 122.820 -0.046 0.000 2.683 266 A HA 0.105 4.425 4.320 -0.000 0.000 0.207 266 A C -0.065 177.513 177.584 -0.010 0.000 0.945 266 A CA 0.029 52.044 52.037 -0.036 0.000 1.233 266 A CB 0.196 19.156 19.000 -0.067 0.000 1.227 266 A HN 0.419 nan 8.150 nan 0.000 0.470 267 D N -1.294 119.113 120.400 0.011 0.000 3.012 267 D HA -0.217 4.423 4.640 -0.000 0.000 0.222 267 D C 0.566 176.906 176.300 0.067 0.000 1.167 267 D CA 1.200 55.217 54.000 0.029 0.000 0.854 267 D CB -0.926 39.884 40.800 0.016 0.000 1.107 267 D HN 1.101 nan 8.370 nan 0.000 0.421 268 A N -0.545 122.348 122.820 0.121 0.000 2.631 268 A HA 0.641 4.961 4.320 -0.000 0.000 0.294 268 A C 0.756 178.572 177.584 0.388 0.000 1.156 268 A CA 0.672 52.865 52.037 0.261 0.000 0.963 268 A CB 0.524 19.704 19.000 0.300 0.000 1.202 268 A HN 0.448 nan 8.150 nan 0.000 0.523 269 A N 1.461 124.412 122.820 0.218 0.000 2.511 269 A HA 0.519 4.839 4.320 -0.000 0.000 0.242 269 A C -2.376 175.277 177.584 0.115 0.000 1.069 269 A CA -0.775 51.375 52.037 0.188 0.000 0.763 269 A CB -0.469 18.575 19.000 0.072 0.000 1.001 269 A HN 0.276 nan 8.150 nan 0.000 0.498 270 P HA -0.027 nan 4.420 nan 0.000 0.264 270 P C 0.235 177.502 177.300 -0.055 0.000 1.183 270 P CA 0.211 63.325 63.100 0.024 0.000 0.763 270 P CB 0.567 32.301 31.700 0.057 0.000 0.807 271 D N 1.732 122.047 120.400 -0.141 0.000 2.117 271 D HA -0.023 4.617 4.640 -0.000 0.000 0.198 271 D C 0.237 176.511 176.300 -0.044 0.000 0.982 271 D CA 1.282 55.216 54.000 -0.111 0.000 0.828 271 D CB 0.128 40.821 40.800 -0.178 0.000 0.967 271 D HN 0.195 nan 8.370 nan 0.000 0.464 272 L N -0.135 121.074 121.223 -0.025 0.000 2.565 272 L HA 0.368 4.708 4.340 -0.000 0.000 0.261 272 L C -1.717 175.178 176.870 0.041 0.000 0.932 272 L CA -0.688 54.162 54.840 0.017 0.000 0.878 272 L CB 2.104 44.178 42.059 0.026 0.000 1.333 272 L HN -0.221 nan 8.230 nan 0.000 0.409 273 V N 5.680 125.620 119.914 0.045 0.000 2.531 273 V HA 0.621 4.741 4.120 -0.000 0.000 0.301 273 V C -1.537 174.586 176.094 0.047 0.000 1.034 273 V CA -0.584 61.740 62.300 0.040 0.000 0.865 273 V CB 1.832 33.652 31.823 -0.004 0.000 0.995 273 V HN 0.738 nan 8.190 nan 0.000 0.424 274 L N 7.933 129.194 121.223 0.062 0.000 2.272 274 L HA 0.633 4.973 4.340 -0.000 0.000 0.284 274 L C -0.149 176.738 176.870 0.028 0.000 1.045 274 L CA -0.052 54.826 54.840 0.062 0.000 0.842 274 L CB 1.010 43.136 42.059 0.112 0.000 1.224 274 L HN 0.781 nan 8.230 nan 0.000 0.430 275 M N 6.551 126.141 119.600 -0.017 0.000 2.084 275 M HA 0.347 4.827 4.480 -0.000 0.000 0.351 275 M C -0.854 175.419 176.300 -0.046 0.000 1.240 275 M CA -0.004 55.257 55.300 -0.065 0.000 1.083 275 M CB 0.751 33.253 32.600 -0.163 0.000 1.593 275 M HN 0.429 nan 8.290 nan 0.000 0.463 276 L N 3.451 124.653 121.223 -0.035 0.000 2.313 276 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 276 L C 1.054 177.898 176.870 -0.044 0.000 1.028 276 L CA -0.268 54.552 54.840 -0.033 0.000 0.871 276 L CB 0.956 43.004 42.059 -0.019 0.000 1.242 276 L HN 1.087 nan 8.230 nan 0.000 0.434 277 G N 2.170 110.939 108.800 -0.051 0.000 2.189 277 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 277 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 277 G C 0.508 175.362 174.900 -0.077 0.000 0.975 277 G CA 0.195 45.261 45.100 -0.056 0.000 0.644 277 G HN 0.818 nan 8.290 nan 0.000 0.537 278 A N 0.603 123.363 122.820 -0.100 0.000 2.451 278 A HA 0.657 4.977 4.320 -0.000 0.000 0.266 278 A C 0.839 178.311 177.584 -0.186 0.000 1.119 278 A CA 0.139 52.091 52.037 -0.141 0.000 0.786 278 A CB 0.183 19.080 19.000 -0.172 0.000 1.061 278 A HN 0.523 nan 8.150 nan 0.000 0.503 279 R N 1.245 121.672 120.500 -0.122 0.000 2.500 279 R HA 0.400 4.740 4.340 -0.000 0.000 0.275 279 R C -1.094 175.118 176.300 -0.148 0.000 1.051 279 R CA -0.263 55.792 56.100 -0.076 0.000 1.088 279 R CB 0.733 31.071 30.300 0.063 0.000 1.063 279 R HN 0.660 nan 8.270 nan 0.000 0.511 280 F N 0.672 120.615 119.950 -0.010 0.000 2.456 280 F HA 0.401 4.928 4.527 -0.000 0.000 0.358 280 F C 1.316 177.050 175.800 -0.109 0.000 1.095 280 F CA 1.086 59.062 58.000 -0.040 0.000 1.216 280 F CB 1.371 40.362 39.000 -0.015 0.000 1.125 280 F HN 0.690 nan 8.300 nan 0.000 0.549 281 G N 1.828 110.608 108.800 -0.033 0.000 2.368 281 G HA2 0.069 4.029 3.960 -0.000 0.000 0.269 281 G HA3 0.069 4.029 3.960 -0.000 0.000 0.269 281 G C -0.275 174.203 174.900 -0.703 0.000 1.291 281 G CA -0.566 44.294 45.100 -0.401 0.000 0.903 281 G HN 0.583 nan 8.290 nan 0.000 0.483 282 L N 0.774 121.547 121.223 -0.750 0.000 2.021 282 L HA -0.055 4.285 4.340 -0.000 0.000 0.215 282 L C 2.229 178.982 176.870 -0.196 0.000 1.074 282 L CA 3.031 57.576 54.840 -0.492 0.000 0.760 282 L CB -0.623 41.395 42.059 -0.068 0.000 0.889 282 L HN 0.573 nan 8.230 nan 0.000 0.433 283 N N -1.254 117.407 118.700 -0.065 0.000 2.409 283 N HA -0.050 4.690 4.740 -0.000 0.000 0.179 283 N C 1.161 176.598 175.510 -0.122 0.000 1.032 283 N CA 1.467 54.448 53.050 -0.115 0.000 0.898 283 N CB -0.085 38.315 38.487 -0.146 0.000 0.971 283 N HN 0.613 nan 8.380 nan 0.000 0.441 284 T N -3.293 111.193 114.554 -0.113 0.000 3.134 284 T HA 0.370 4.720 4.350 -0.000 0.000 0.260 284 T C 1.056 175.746 174.700 -0.017 0.000 1.027 284 T CA 0.113 62.158 62.100 -0.090 0.000 0.913 284 T CB 0.509 69.290 68.868 -0.146 0.000 1.046 284 T HN 0.177 nan 8.240 nan 0.000 0.553 285 G N 1.868 110.655 108.800 -0.021 0.000 2.182 285 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.248 285 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.248 285 G C 0.270 175.288 174.900 0.196 0.000 1.042 285 G CA 0.424 45.584 45.100 0.100 0.000 0.775 285 G HN 0.851 nan 8.290 nan 0.000 0.501 286 H N -1.688 117.439 119.070 0.095 0.000 1.452 286 H HA -0.265 4.291 4.556 -0.000 0.000 0.090 286 H C 2.093 177.510 175.328 0.149 0.000 0.968 286 H CA 2.919 59.026 56.048 0.099 0.000 1.901 286 H CB -1.230 28.554 29.762 0.038 0.000 2.257 286 H HN 1.159 nan 8.280 nan 0.000 0.961 287 G N -0.919 108.026 108.800 0.242 0.000 3.277 287 G HA2 0.200 4.160 3.960 -0.000 0.000 0.243 287 G HA3 0.200 4.160 3.960 -0.000 0.000 0.243 287 G C 1.214 176.245 174.900 0.217 0.000 1.107 287 G CA 0.660 45.847 45.100 0.145 0.000 0.771 287 G HN 0.701 nan 8.290 nan 0.000 0.544 288 S N -0.142 115.663 115.700 0.174 0.000 2.442 288 S HA 0.187 4.657 4.470 -0.000 0.000 0.236 288 S C 2.119 176.667 174.600 -0.087 0.000 1.007 288 S CA 1.217 59.483 58.200 0.111 0.000 0.965 288 S CB -0.368 62.895 63.200 0.105 0.000 0.773 288 S HN 1.445 nan 8.310 nan 0.000 0.504 289 G N 0.731 109.441 108.800 -0.150 0.000 2.155 289 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 289 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 289 G C 0.598 175.347 174.900 -0.252 0.000 0.983 289 G CA 0.617 45.440 45.100 -0.461 0.000 0.676 289 G HN 0.592 nan 8.290 nan 0.000 0.528 290 Q N -0.983 118.763 119.800 -0.090 0.000 2.245 290 Q HA 0.283 4.623 4.340 -0.000 0.000 0.201 290 Q C 2.587 178.577 176.000 -0.017 0.000 0.955 290 Q CA 1.259 57.042 55.803 -0.034 0.000 0.870 290 Q CB 0.038 28.841 28.738 0.108 0.000 0.945 290 Q HN 0.700 nan 8.270 nan 0.000 0.461 291 L N -0.701 120.520 121.223 -0.003 0.000 2.541 291 L HA 0.187 4.527 4.340 -0.000 0.000 0.187 291 L C 0.423 177.240 176.870 -0.088 0.000 1.098 291 L CA -0.179 54.634 54.840 -0.044 0.000 0.846 291 L CB 0.240 42.279 42.059 -0.032 0.000 1.151 291 L HN 0.085 nan 8.230 nan 0.000 0.492 292 I N 3.176 123.725 120.570 -0.035 0.000 2.294 292 I HA 0.230 4.400 4.170 -0.000 0.000 0.295 292 I C -2.279 173.843 176.117 0.008 0.000 1.098 292 I CA -2.507 58.795 61.300 0.004 0.000 1.277 292 I CB -0.432 37.628 38.000 0.100 0.000 1.434 292 I HN -0.109 nan 8.210 nan 0.000 0.498 293 P HA 0.133 nan 4.420 nan 0.000 0.274 293 P C 0.701 178.011 177.300 0.017 0.000 1.231 293 P CA -0.058 63.000 63.100 -0.070 0.000 0.790 293 P CB 0.782 32.460 31.700 -0.036 0.000 0.951 294 H N 0.864 119.948 119.070 0.024 0.000 2.353 294 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 294 H C 1.894 177.228 175.328 0.010 0.000 1.090 294 H CA 2.269 58.325 56.048 0.013 0.000 1.327 294 H CB -1.013 28.750 29.762 0.002 0.000 1.383 294 H HN 0.472 nan 8.280 nan 0.000 0.508 295 S N 0.195 115.971 115.700 0.127 0.000 2.474 295 S HA 0.129 4.599 4.470 -0.000 0.000 0.235 295 S C 1.320 175.946 174.600 0.044 0.000 0.997 295 S CA 0.276 58.516 58.200 0.066 0.000 0.949 295 S CB -0.166 63.058 63.200 0.040 0.000 0.766 295 S HN 0.461 nan 8.310 nan 0.000 0.517 296 A N 0.957 123.807 122.820 0.050 0.000 2.286 296 A HA 0.564 4.884 4.320 -0.000 0.000 0.286 296 A C 0.018 177.631 177.584 0.049 0.000 1.097 296 A CA -0.683 51.374 52.037 0.035 0.000 0.821 296 A CB 0.385 19.401 19.000 0.027 0.000 1.076 296 A HN 0.447 nan 8.150 nan 0.000 0.490 297 Q N -0.112 119.711 119.800 0.038 0.000 2.261 297 Q HA 0.526 4.866 4.340 -0.000 0.000 0.252 297 Q C -1.107 174.931 176.000 0.063 0.000 0.915 297 Q CA -0.194 55.638 55.803 0.048 0.000 0.915 297 Q CB 1.635 30.395 28.738 0.036 0.000 1.204 297 Q HN 0.483 nan 8.270 nan 0.000 0.421 298 V N 4.337 124.299 119.914 0.080 0.000 2.531 298 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 298 V C -0.618 175.528 176.094 0.086 0.000 1.034 298 V CA -0.677 61.681 62.300 0.098 0.000 0.865 298 V CB 1.635 33.560 31.823 0.169 0.000 0.995 298 V HN 0.627 nan 8.190 nan 0.000 0.424 299 I N 4.118 124.731 120.570 0.072 0.000 2.378 299 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 299 I C -0.123 176.024 176.117 0.050 0.000 0.992 299 I CA -0.121 61.217 61.300 0.062 0.000 1.154 299 I CB 1.608 39.644 38.000 0.060 0.000 1.315 299 I HN 0.620 nan 8.210 nan 0.000 0.448 300 Q N 5.386 125.217 119.800 0.053 0.000 2.333 300 Q HA 0.665 5.005 4.340 -0.000 0.000 0.267 300 Q C -1.734 174.278 176.000 0.020 0.000 1.012 300 Q CA -0.712 55.111 55.803 0.033 0.000 0.824 300 Q CB 2.402 31.184 28.738 0.074 0.000 1.290 300 Q HN 0.515 nan 8.270 nan 0.000 0.449 301 V N 3.732 123.644 119.914 -0.003 0.000 2.376 301 V HA 0.413 4.533 4.120 -0.000 0.000 0.287 301 V C -1.029 175.056 176.094 -0.015 0.000 1.015 301 V CA -0.601 61.694 62.300 -0.008 0.000 0.834 301 V CB 1.604 33.413 31.823 -0.022 0.000 1.001 301 V HN 0.846 nan 8.190 nan 0.000 0.428 302 D N 5.032 125.429 120.400 -0.006 0.000 2.645 302 D HA 0.580 5.220 4.640 -0.000 0.000 0.228 302 D C -1.967 174.330 176.300 -0.006 0.000 1.148 302 D CA -1.507 52.487 54.000 -0.010 0.000 0.860 302 D CB 3.586 44.385 40.800 -0.002 0.000 1.548 302 D HN 0.238 nan 8.370 nan 0.000 0.460 303 P HA 0.015 nan 4.420 nan 0.000 0.229 303 P C -0.369 176.931 177.300 -0.000 0.000 1.160 303 P CA 0.596 63.692 63.100 -0.006 0.000 0.777 303 P CB 0.255 31.950 31.700 -0.010 0.000 0.814 304 D N -0.227 120.173 120.400 -0.000 0.000 2.427 304 D HA 0.378 5.018 4.640 -0.000 0.000 0.226 304 D C 1.234 177.544 176.300 0.018 0.000 1.076 304 D CA -0.690 53.314 54.000 0.007 0.000 0.849 304 D CB 1.269 42.067 40.800 -0.004 0.000 1.052 304 D HN -0.160 nan 8.370 nan 0.000 0.515 305 A N 3.240 126.073 122.820 0.021 0.000 1.958 305 A HA -0.269 4.051 4.320 -0.000 0.000 0.221 305 A C 2.463 180.066 177.584 0.032 0.000 1.178 305 A CA 1.634 53.686 52.037 0.026 0.000 0.642 305 A CB -0.924 18.089 19.000 0.022 0.000 0.816 305 A HN 0.790 nan 8.150 nan 0.000 0.453 306 C N -0.482 118.837 119.300 0.032 0.000 2.385 306 C HA -0.157 4.303 4.460 -0.000 0.000 0.275 306 C C 2.551 177.569 174.990 0.046 0.000 1.199 306 C CA 1.435 60.475 59.018 0.036 0.000 1.782 306 C CB -1.127 26.634 27.740 0.035 0.000 2.068 306 C HN 0.623 nan 8.230 nan 0.000 0.471 307 E N -0.073 120.160 120.200 0.054 0.000 2.358 307 E HA 0.042 4.391 4.350 -0.000 0.000 0.195 307 E C 0.417 177.101 176.600 0.140 0.000 1.010 307 E CA 0.295 56.748 56.400 0.090 0.000 0.856 307 E CB -0.288 29.452 29.700 0.066 0.000 0.795 307 E HN 0.412 nan 8.360 nan 0.000 0.504 308 L N 1.253 122.536 121.223 0.101 0.000 2.530 308 L HA 0.113 4.453 4.340 -0.000 0.000 0.273 308 L C 1.363 178.301 176.870 0.114 0.000 1.141 308 L CA 0.912 55.822 54.840 0.115 0.000 0.905 308 L CB -0.542 41.558 42.059 0.069 0.000 1.202 308 L HN 0.298 nan 8.230 nan 0.000 0.473 309 G N 3.258 112.174 108.800 0.192 0.000 2.249 309 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.273 309 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.273 309 G C 1.518 176.346 174.900 -0.120 0.000 1.036 309 G CA 0.820 45.926 45.100 0.010 0.000 0.824 309 G HN 0.719 nan 8.290 nan 0.000 0.504 310 R N -0.610 119.876 120.500 -0.023 0.000 2.103 310 R HA -0.015 4.325 4.340 -0.000 0.000 0.242 310 R C 1.813 178.023 176.300 -0.150 0.000 1.142 310 R CA 1.896 57.977 56.100 -0.032 0.000 0.960 310 R CB -0.169 30.177 30.300 0.078 0.000 0.858 310 R HN 0.561 nan 8.270 nan 0.000 0.439 311 L N -0.917 120.080 121.223 -0.376 0.000 2.966 311 L HA 0.299 4.639 4.340 -0.000 0.000 0.262 311 L C -0.268 176.370 176.870 -0.387 0.000 1.165 311 L CA -0.215 54.431 54.840 -0.323 0.000 0.978 311 L CB 0.885 42.828 42.059 -0.193 0.000 1.337 311 L HN 0.207 nan 8.230 nan 0.000 0.563 312 Q N -0.178 119.315 119.800 -0.511 0.000 2.774 312 Q HA 0.334 4.674 4.340 -0.000 0.000 0.232 312 Q C -0.721 175.074 176.000 -0.341 0.000 0.985 312 Q CA -0.388 55.154 55.803 -0.435 0.000 1.058 312 Q CB 1.299 29.675 28.738 -0.604 0.000 1.789 312 Q HN 0.118 nan 8.270 nan 0.000 0.487 313 G N 3.424 112.124 108.800 -0.167 0.000 2.491 313 G HA2 0.465 4.425 3.960 -0.000 0.000 0.242 313 G HA3 0.465 4.425 3.960 -0.000 0.000 0.242 313 G C 0.051 174.941 174.900 -0.016 0.000 1.266 313 G CA -0.154 44.896 45.100 -0.083 0.000 0.844 313 G HN 0.705 nan 8.290 nan 0.000 0.571 314 I N -0.748 119.835 120.570 0.021 0.000 2.740 314 I HA 0.707 4.877 4.170 -0.000 0.000 0.303 314 I C 0.918 177.066 176.117 0.052 0.000 1.044 314 I CA -1.271 60.074 61.300 0.075 0.000 1.064 314 I CB 2.177 40.254 38.000 0.128 0.000 1.249 314 I HN 0.495 nan 8.210 nan 0.000 0.433 315 A N 4.241 127.096 122.820 0.058 0.000 1.969 315 A HA 0.206 4.526 4.320 -0.000 0.000 0.218 315 A C 0.608 178.216 177.584 0.040 0.000 1.169 315 A CA 1.324 53.386 52.037 0.043 0.000 0.635 315 A CB -0.164 18.863 19.000 0.045 0.000 0.810 315 A HN 0.755 nan 8.150 nan 0.000 0.445 316 L N -2.525 118.727 121.223 0.049 0.000 2.641 316 L HA 0.632 4.972 4.340 -0.000 0.000 0.261 316 L C -0.649 176.250 176.870 0.048 0.000 0.926 316 L CA 0.217 55.082 54.840 0.042 0.000 0.917 316 L CB 1.353 43.436 42.059 0.040 0.000 1.361 316 L HN 0.122 nan 8.230 nan 0.000 0.417 317 G N 5.635 114.459 108.800 0.040 0.000 2.574 317 G HA2 0.671 4.631 3.960 -0.000 0.000 0.306 317 G HA3 0.671 4.631 3.960 -0.000 0.000 0.306 317 G C -1.158 173.760 174.900 0.029 0.000 1.334 317 G CA -0.362 44.763 45.100 0.042 0.000 0.954 317 G HN 0.566 nan 8.290 nan 0.000 0.500 318 I N 2.339 122.923 120.570 0.024 0.000 2.433 318 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 318 I C -0.163 175.960 176.117 0.010 0.000 1.001 318 I CA -1.247 60.061 61.300 0.013 0.000 1.119 318 I CB 2.356 40.360 38.000 0.007 0.000 1.289 318 I HN 0.272 nan 8.210 nan 0.000 0.438 319 V N 6.422 126.341 119.914 0.008 0.000 2.333 319 V HA 0.922 5.042 4.120 -0.000 0.000 0.274 319 V C -0.194 175.899 176.094 -0.001 0.000 1.028 319 V CA 0.217 62.520 62.300 0.005 0.000 0.851 319 V CB 0.690 32.518 31.823 0.008 0.000 1.000 319 V HN 0.899 nan 8.190 nan 0.000 0.456 320 A N 4.110 126.926 122.820 -0.006 0.000 2.599 320 A HA 0.598 4.918 4.320 -0.000 0.000 0.290 320 A C -0.916 176.660 177.584 -0.012 0.000 1.101 320 A CA -0.548 51.483 52.037 -0.010 0.000 0.674 320 A CB 1.150 20.140 19.000 -0.015 0.000 1.277 320 A HN 0.935 nan 8.150 nan 0.000 0.419 321 D N -0.264 120.130 120.400 -0.011 0.000 2.414 321 D HA 0.297 4.937 4.640 -0.000 0.000 0.242 321 D C 1.137 177.423 176.300 -0.023 0.000 1.129 321 D CA 0.214 54.206 54.000 -0.013 0.000 0.885 321 D CB 1.007 41.804 40.800 -0.006 0.000 1.198 321 D HN 0.186 nan 8.370 nan 0.000 0.437 322 V N 3.739 123.637 119.914 -0.027 0.000 2.358 322 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 322 V C 2.180 178.250 176.094 -0.040 0.000 1.047 322 V CA 2.198 64.477 62.300 -0.036 0.000 1.035 322 V CB -0.750 31.053 31.823 -0.034 0.000 0.658 322 V HN 0.835 nan 8.190 nan 0.000 0.452 323 G N -0.018 108.764 108.800 -0.029 0.000 2.414 323 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.215 323 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.215 323 G C 1.680 176.566 174.900 -0.023 0.000 1.188 323 G CA 0.858 45.943 45.100 -0.026 0.000 0.783 323 G HN 0.558 nan 8.290 nan 0.000 0.537 324 G N 0.286 109.080 108.800 -0.010 0.000 2.513 324 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 324 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 324 G C 1.845 176.723 174.900 -0.037 0.000 1.160 324 G CA 1.883 46.981 45.100 -0.004 0.000 0.767 324 G HN 0.395 nan 8.290 nan 0.000 0.571 325 T N 0.997 115.519 114.554 -0.054 0.000 2.788 325 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 325 T C 2.395 177.008 174.700 -0.146 0.000 1.044 325 T CA 0.904 62.951 62.100 -0.088 0.000 1.139 325 T CB -0.125 68.695 68.868 -0.080 0.000 0.867 325 T HN 0.261 nan 8.240 nan 0.000 0.454 326 I N 0.739 121.231 120.570 -0.130 0.000 2.226 326 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 326 I C 2.601 178.627 176.117 -0.151 0.000 1.100 326 I CA 1.319 62.516 61.300 -0.171 0.000 1.374 326 I CB -0.301 37.642 38.000 -0.095 0.000 1.057 326 I HN 0.310 nan 8.210 nan 0.000 0.413 327 E N 0.881 121.034 120.200 -0.080 0.000 2.033 327 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 327 E C 2.345 178.904 176.600 -0.068 0.000 1.011 327 E CA 1.591 57.964 56.400 -0.047 0.000 0.815 327 E CB -0.285 29.412 29.700 -0.005 0.000 0.755 327 E HN 0.522 nan 8.360 nan 0.000 0.451 328 A N 1.062 123.835 122.820 -0.079 0.000 1.892 328 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 328 A C 2.226 179.745 177.584 -0.109 0.000 1.188 328 A CA 1.436 53.427 52.037 -0.076 0.000 0.631 328 A CB -0.834 18.123 19.000 -0.072 0.000 0.822 328 A HN 0.182 nan 8.150 nan 0.000 0.447 329 L N -1.042 120.046 121.223 -0.226 0.000 2.017 329 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 329 L C 3.164 179.899 176.870 -0.225 0.000 1.073 329 L CA 1.154 55.762 54.840 -0.387 0.000 0.745 329 L CB -0.568 40.919 42.059 -0.952 0.000 0.894 329 L HN 0.473 nan 8.230 nan 0.000 0.432 330 A N 0.369 123.094 122.820 -0.157 0.000 1.851 330 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 330 A C 2.196 179.812 177.584 0.053 0.000 1.195 330 A CA 2.141 54.203 52.037 0.041 0.000 0.622 330 A CB -0.794 18.226 19.000 0.033 0.000 0.831 330 A HN 0.652 nan 8.150 nan 0.000 0.444 331 Q N -1.054 118.756 119.800 0.017 0.000 2.230 331 Q HA 0.164 4.504 4.340 -0.000 0.000 0.202 331 Q C 1.875 177.904 176.000 0.048 0.000 0.963 331 Q CA 1.234 57.054 55.803 0.030 0.000 0.866 331 Q CB -0.408 28.338 28.738 0.013 0.000 0.931 331 Q HN 0.501 nan 8.270 nan 0.000 0.452 332 A N 0.706 123.556 122.820 0.049 0.000 2.066 332 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 332 A C 2.112 179.790 177.584 0.157 0.000 1.157 332 A CA 1.532 53.621 52.037 0.087 0.000 0.670 332 A CB -0.431 18.615 19.000 0.077 0.000 0.804 332 A HN 0.417 nan 8.150 nan 0.000 0.453 333 T N -1.535 113.119 114.554 0.166 0.000 3.037 333 T HA 0.313 4.663 4.350 -0.000 0.000 0.252 333 T C 1.897 176.697 174.700 0.166 0.000 1.073 333 T CA 0.981 63.214 62.100 0.222 0.000 1.091 333 T CB -0.289 68.710 68.868 0.219 0.000 0.935 333 T HN 0.469 nan 8.240 nan 0.000 0.488 334 A N 1.049 123.938 122.820 0.115 0.000 2.084 334 A HA -0.067 4.253 4.320 -0.000 0.000 0.221 334 A C 1.380 179.025 177.584 0.102 0.000 1.161 334 A CA 1.255 53.344 52.037 0.088 0.000 0.653 334 A CB -0.284 18.754 19.000 0.063 0.000 0.802 334 A HN 0.694 nan 8.150 nan 0.000 0.457 335 Q N -0.290 119.584 119.800 0.124 0.000 2.719 335 Q HA 0.248 4.588 4.340 -0.000 0.000 0.376 335 Q C -0.989 175.085 176.000 0.123 0.000 0.856 335 Q CA 0.198 56.064 55.803 0.105 0.000 1.038 335 Q CB 0.570 29.353 28.738 0.075 0.000 1.418 335 Q HN 0.683 nan 8.270 nan 0.000 0.395 336 D N -1.347 119.154 120.400 0.170 0.000 2.619 336 D HA 0.011 4.651 4.640 -0.000 0.000 0.300 336 D C 0.438 176.809 176.300 0.119 0.000 1.502 336 D CA -0.293 53.784 54.000 0.128 0.000 0.865 336 D CB -0.342 40.530 40.800 0.120 0.000 1.343 336 D HN 0.192 nan 8.370 nan 0.000 0.447 337 A N 1.127 124.057 122.820 0.184 0.000 2.890 337 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 337 A C 1.112 178.771 177.584 0.125 0.000 1.795 337 A CA 1.175 53.337 52.037 0.210 0.000 1.344 337 A CB -1.301 17.780 19.000 0.135 0.000 0.836 337 A HN 0.728 nan 8.150 nan 0.000 0.471 338 A N 0.024 122.861 122.820 0.028 0.000 2.959 338 A HA 0.493 4.813 4.320 -0.000 0.000 0.280 338 A C -0.536 176.934 177.584 -0.190 0.000 0.953 338 A CA -0.517 51.468 52.037 -0.088 0.000 1.047 338 A CB 0.011 18.920 19.000 -0.152 0.000 1.147 338 A HN 0.608 nan 8.150 nan 0.000 0.489 339 W N 2.175 123.478 121.300 0.006 0.000 2.332 339 W HA 0.496 5.156 4.660 -0.000 0.000 0.306 339 W C -1.784 174.736 176.519 0.002 0.000 1.149 339 W CA -1.852 55.495 57.345 0.002 0.000 1.271 339 W CB 0.544 29.999 29.460 -0.008 0.000 1.243 339 W HN 0.301 nan 8.180 nan 0.000 0.459 340 P HA -0.159 nan 4.420 nan 0.000 0.269 340 P C 0.563 177.947 177.300 0.140 0.000 1.205 340 P CA 0.304 63.476 63.100 0.119 0.000 0.780 340 P CB 1.046 32.800 31.700 0.090 0.000 0.858 341 D N 1.362 121.820 120.400 0.097 0.000 2.106 341 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 341 D C 0.663 177.025 176.300 0.103 0.000 0.988 341 D CA 1.456 55.508 54.000 0.087 0.000 0.845 341 D CB 0.055 40.894 40.800 0.066 0.000 0.990 341 D HN 0.314 nan 8.370 nan 0.000 0.448 342 R N -1.901 118.670 120.500 0.119 0.000 3.919 342 R HA -0.110 4.230 4.340 -0.000 0.000 0.412 342 R C 1.456 177.855 176.300 0.165 0.000 1.102 342 R CA 0.773 56.976 56.100 0.173 0.000 1.082 342 R CB -2.483 27.939 30.300 0.203 0.000 1.671 342 R HN 0.416 nan 8.270 nan 0.000 0.540 343 G N 0.903 109.767 108.800 0.107 0.000 2.440 343 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 343 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 343 G C 1.113 176.066 174.900 0.089 0.000 1.154 343 G CA 1.251 46.395 45.100 0.074 0.000 0.767 343 G HN 0.290 nan 8.290 nan 0.000 0.552 344 D N -0.638 119.835 120.400 0.120 0.000 2.103 344 D HA -0.135 4.505 4.640 -0.000 0.000 0.190 344 D C 1.858 178.284 176.300 0.210 0.000 0.997 344 D CA 0.867 54.951 54.000 0.140 0.000 0.833 344 D CB -0.435 40.455 40.800 0.149 0.000 0.961 344 D HN 0.521 nan 8.370 nan 0.000 0.447 345 W N 0.870 122.199 121.300 0.049 0.000 2.333 345 W HA -0.278 4.382 4.660 -0.000 0.000 0.316 345 W C 2.263 178.834 176.519 0.086 0.000 1.215 345 W CA 1.037 58.428 57.345 0.076 0.000 1.278 345 W CB -0.559 28.948 29.460 0.078 0.000 1.154 345 W HN 0.035 nan 8.180 nan 0.000 0.486 346 C N 1.002 120.272 119.300 -0.051 0.000 2.375 346 C HA -0.272 4.188 4.460 -0.000 0.000 0.274 346 C C 3.152 178.056 174.990 -0.145 0.000 1.190 346 C CA 2.071 60.988 59.018 -0.169 0.000 1.775 346 C CB -1.695 26.003 27.740 -0.071 0.000 2.067 346 C HN 0.546 nan 8.230 nan 0.000 0.463 347 A N 0.222 123.009 122.820 -0.056 0.000 1.851 347 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 347 A C 2.090 179.633 177.584 -0.068 0.000 1.195 347 A CA 2.398 54.409 52.037 -0.044 0.000 0.622 347 A CB -0.683 18.317 19.000 0.001 0.000 0.831 347 A HN 0.585 nan 8.150 nan 0.000 0.444 348 K N -0.557 119.818 120.400 -0.042 0.000 2.063 348 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 348 K C 1.753 178.256 176.600 -0.162 0.000 1.048 348 K CA 1.635 57.892 56.287 -0.051 0.000 0.928 348 K CB -0.509 32.050 32.500 0.099 0.000 0.713 348 K HN 0.203 nan 8.250 nan 0.000 0.442 349 V N 0.289 120.040 119.914 -0.271 0.000 2.287 349 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 349 V C 2.110 178.211 176.094 0.013 0.000 1.053 349 V CA 2.392 64.642 62.300 -0.083 0.000 1.027 349 V CB -0.687 30.902 31.823 -0.389 0.000 0.646 349 V HN 0.474 nan 8.190 nan 0.000 0.447 350 T N -0.470 114.027 114.554 -0.096 0.000 2.746 350 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 350 T C 1.629 176.300 174.700 -0.048 0.000 1.039 350 T CA 1.719 63.774 62.100 -0.075 0.000 1.142 350 T CB -0.368 68.444 68.868 -0.094 0.000 0.866 350 T HN 0.506 nan 8.240 nan 0.000 0.444 351 D N 1.055 121.416 120.400 -0.064 0.000 2.117 351 D HA 0.006 4.646 4.640 -0.000 0.000 0.198 351 D C 2.124 178.386 176.300 -0.063 0.000 0.982 351 D CA 0.747 54.713 54.000 -0.056 0.000 0.828 351 D CB -0.408 40.357 40.800 -0.058 0.000 0.967 351 D HN 0.320 nan 8.370 nan 0.000 0.464 352 L N 0.531 121.674 121.223 -0.133 0.000 2.093 352 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 352 L C 2.475 179.347 176.870 0.003 0.000 1.085 352 L CA 0.981 55.706 54.840 -0.192 0.000 0.755 352 L CB -0.410 41.250 42.059 -0.665 0.000 0.904 352 L HN -0.024 nan 8.230 nan 0.000 0.435 353 A N 0.565 123.449 122.820 0.107 0.000 1.933 353 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 353 A C 2.204 179.863 177.584 0.124 0.000 1.175 353 A CA 1.910 54.048 52.037 0.169 0.000 0.628 353 A CB -0.408 18.669 19.000 0.129 0.000 0.814 353 A HN 0.577 nan 8.150 nan 0.000 0.444 354 Q N -0.702 119.138 119.800 0.068 0.000 2.402 354 Q HA 0.096 4.436 4.340 -0.000 0.000 0.206 354 Q C 1.529 177.607 176.000 0.130 0.000 0.919 354 Q CA 1.400 57.252 55.803 0.080 0.000 0.923 354 Q CB -0.163 28.576 28.738 0.001 0.000 1.048 354 Q HN 0.554 nan 8.270 nan 0.000 0.515 355 E N 1.244 121.489 120.200 0.076 0.000 2.031 355 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 355 E C 2.010 178.659 176.600 0.082 0.000 0.994 355 E CA 1.563 57.998 56.400 0.058 0.000 0.800 355 E CB -0.084 29.621 29.700 0.008 0.000 0.752 355 E HN 0.415 nan 8.360 nan 0.000 0.447 356 R N -0.694 119.867 120.500 0.102 0.000 2.097 356 R HA -0.260 4.080 4.340 -0.000 0.000 0.236 356 R C 2.415 178.782 176.300 0.112 0.000 1.135 356 R CA 2.011 58.175 56.100 0.107 0.000 0.934 356 R CB -0.846 29.545 30.300 0.152 0.000 0.846 356 R HN 0.374 nan 8.270 nan 0.000 0.431 357 Y N 0.746 121.083 120.300 0.061 0.000 2.114 357 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 357 Y C 2.232 178.165 175.900 0.056 0.000 1.165 357 Y CA 2.192 60.347 58.100 0.092 0.000 1.148 357 Y CB -0.526 38.012 38.460 0.130 0.000 0.972 357 Y HN 0.300 nan 8.280 nan 0.000 0.504 358 A N -0.702 122.251 122.820 0.222 0.000 1.883 358 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 358 A C 2.487 180.047 177.584 -0.040 0.000 1.186 358 A CA 2.229 54.331 52.037 0.108 0.000 0.624 358 A CB -1.602 17.473 19.000 0.125 0.000 0.822 358 A HN 0.559 nan 8.150 nan 0.000 0.444 359 S N -0.528 115.151 115.700 -0.035 0.000 2.383 359 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 359 S C 1.850 176.357 174.600 -0.156 0.000 1.030 359 S CA 1.706 59.867 58.200 -0.065 0.000 1.002 359 S CB -0.558 62.625 63.200 -0.028 0.000 0.829 359 S HN 0.453 nan 8.310 nan 0.000 0.467 360 I N 1.507 121.909 120.570 -0.280 0.000 2.353 360 I HA -0.017 4.153 4.170 -0.000 0.000 0.248 360 I C 2.790 178.512 176.117 -0.660 0.000 1.119 360 I CA 0.884 61.894 61.300 -0.484 0.000 1.417 360 I CB -0.534 37.050 38.000 -0.693 0.000 1.078 360 I HN 0.370 nan 8.210 nan 0.000 0.421 361 A N 0.939 123.404 122.820 -0.591 0.000 1.892 361 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 361 A C 2.547 180.050 177.584 -0.135 0.000 1.188 361 A CA 2.253 54.140 52.037 -0.251 0.000 0.631 361 A CB -1.090 17.868 19.000 -0.070 0.000 0.822 361 A HN 0.428 nan 8.150 nan 0.000 0.447 362 A N -0.782 121.968 122.820 -0.117 0.000 1.940 362 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 362 A C 2.005 179.547 177.584 -0.070 0.000 1.176 362 A CA 1.907 53.908 52.037 -0.060 0.000 0.631 362 A CB -0.315 18.659 19.000 -0.043 0.000 0.814 362 A HN 0.554 nan 8.150 nan 0.000 0.446 363 K N -0.116 120.211 120.400 -0.121 0.000 2.358 363 K HA 0.195 4.515 4.320 -0.000 0.000 0.197 363 K C -0.345 176.171 176.600 -0.141 0.000 1.025 363 K CA -0.031 56.202 56.287 -0.090 0.000 1.104 363 K CB 0.600 33.067 32.500 -0.055 0.000 0.855 363 K HN 0.232 nan 8.250 nan 0.000 0.531 364 S N 1.365 116.894 115.700 -0.285 0.000 2.415 364 S HA 0.128 4.598 4.470 -0.000 0.000 0.313 364 S C -0.406 174.018 174.600 -0.293 0.000 1.067 364 S CA -0.508 57.316 58.200 -0.626 0.000 1.099 364 S CB 1.116 63.670 63.200 -1.077 0.000 0.991 364 S HN 0.135 nan 8.310 nan 0.000 0.491 365 S N 2.542 118.190 115.700 -0.086 0.000 2.457 365 S HA 0.312 4.782 4.470 -0.000 0.000 0.289 365 S C 0.695 175.422 174.600 0.212 0.000 1.163 365 S CA -0.590 57.677 58.200 0.112 0.000 1.078 365 S CB 1.240 64.492 63.200 0.086 0.000 0.987 365 S HN 0.460 nan 8.310 nan 0.000 0.482 366 S N 3.226 119.096 115.700 0.283 0.000 2.614 366 S HA 0.209 4.679 4.470 -0.000 0.000 0.230 366 S C 0.252 174.908 174.600 0.093 0.000 0.952 366 S CA -0.347 58.014 58.200 0.268 0.000 0.949 366 S CB -0.229 63.171 63.200 0.333 0.000 0.786 366 S HN 0.799 nan 8.310 nan 0.000 0.478 367 E N 0.561 120.774 120.200 0.022 0.000 2.259 367 E HA 0.180 4.530 4.350 -0.000 0.000 0.281 367 E C 0.008 176.514 176.600 -0.157 0.000 1.037 367 E CA 0.158 56.470 56.400 -0.146 0.000 0.854 367 E CB 0.346 29.893 29.700 -0.256 0.000 1.051 367 E HN 0.608 nan 8.360 nan 0.000 0.409 368 H N 0.025 119.118 119.070 0.039 0.000 4.199 368 H HA -0.179 4.377 4.556 -0.000 0.000 0.124 368 H C -0.461 174.883 175.328 0.028 0.000 0.666 368 H CA 0.587 56.653 56.048 0.030 0.000 1.223 368 H CB -0.833 28.946 29.762 0.027 0.000 0.616 368 H HN 0.575 nan 8.280 nan 0.000 0.619 369 A N 0.120 123.012 122.820 0.120 0.000 2.592 369 A HA 0.437 4.757 4.320 -0.000 0.000 0.300 369 A C -1.445 176.178 177.584 0.065 0.000 0.994 369 A CA -0.556 51.526 52.037 0.074 0.000 0.707 369 A CB 0.573 19.608 19.000 0.058 0.000 1.273 369 A HN 0.326 nan 8.150 nan 0.000 0.413 370 L N 2.559 123.807 121.223 0.042 0.000 2.654 370 L HA 0.201 4.541 4.340 -0.000 0.000 0.271 370 L C 0.570 177.460 176.870 0.035 0.000 1.169 370 L CA 0.979 55.853 54.840 0.056 0.000 0.947 370 L CB -0.754 41.311 42.059 0.011 0.000 1.232 370 L HN 0.778 nan 8.230 nan 0.000 0.486 371 H N 7.430 126.486 119.070 -0.024 0.000 2.886 371 H HA 0.153 4.709 4.556 -0.000 0.000 0.329 371 H C -1.527 173.628 175.328 -0.290 0.000 1.044 371 H CA -0.971 54.959 56.048 -0.196 0.000 1.456 371 H CB 1.081 30.675 29.762 -0.280 0.000 1.464 371 H HN 0.547 nan 8.280 nan 0.000 0.573 372 P HA -0.226 nan 4.420 nan 0.000 0.218 372 P C 1.303 178.449 177.300 -0.256 0.000 1.148 372 P CA 1.176 64.040 63.100 -0.392 0.000 0.822 372 P CB -0.027 31.209 31.700 -0.773 0.000 0.784 373 F N 0.679 120.371 119.950 -0.429 0.000 2.146 373 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 373 F C 2.554 178.271 175.800 -0.138 0.000 1.096 373 F CA 1.531 59.363 58.000 -0.281 0.000 1.275 373 F CB -0.515 38.211 39.000 -0.456 0.000 1.008 373 F HN -0.096 nan 8.300 nan 0.000 0.480 374 H N 0.180 119.200 119.070 -0.084 0.000 2.319 374 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 374 H C 2.419 177.718 175.328 -0.050 0.000 1.092 374 H CA 1.257 57.249 56.048 -0.094 0.000 1.302 374 H CB -1.226 28.529 29.762 -0.013 0.000 1.373 374 H HN 0.395 nan 8.280 nan 0.000 0.497 375 A N 0.545 123.437 122.820 0.121 0.000 1.940 375 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 375 A C 2.680 180.384 177.584 0.200 0.000 1.176 375 A CA 1.957 54.126 52.037 0.219 0.000 0.631 375 A CB -0.566 18.480 19.000 0.077 0.000 0.814 375 A HN 0.391 nan 8.150 nan 0.000 0.446 376 S N -0.418 115.294 115.700 0.021 0.000 2.406 376 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 376 S C 2.022 176.560 174.600 -0.104 0.000 1.020 376 S CA 1.271 59.461 58.200 -0.016 0.000 0.965 376 S CB -0.260 62.917 63.200 -0.037 0.000 0.798 376 S HN 0.716 nan 8.310 nan 0.000 0.488 377 Q N 0.656 120.322 119.800 -0.224 0.000 2.084 377 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 377 Q C 2.262 178.210 176.000 -0.086 0.000 0.978 377 Q CA 1.372 57.071 55.803 -0.173 0.000 0.844 377 Q CB -0.451 28.174 28.738 -0.189 0.000 0.898 377 Q HN 0.363 nan 8.270 nan 0.000 0.426 378 V N 1.039 120.917 119.914 -0.060 0.000 2.332 378 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 378 V C 2.129 178.157 176.094 -0.109 0.000 1.055 378 V CA 1.723 63.944 62.300 -0.132 0.000 1.038 378 V CB -0.492 31.168 31.823 -0.271 0.000 0.651 378 V HN 0.324 nan 8.190 nan 0.000 0.450 379 I N 0.342 120.882 120.570 -0.050 0.000 2.142 379 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 379 I C 2.697 178.826 176.117 0.019 0.000 1.078 379 I CA 1.515 62.819 61.300 0.007 0.000 1.343 379 I CB -0.668 37.378 38.000 0.076 0.000 1.046 379 I HN 0.261 nan 8.210 nan 0.000 0.405 380 A N 0.784 123.594 122.820 -0.017 0.000 1.903 380 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 380 A C 2.218 179.758 177.584 -0.073 0.000 1.191 380 A CA 1.962 53.975 52.037 -0.041 0.000 0.638 380 A CB -0.668 18.306 19.000 -0.044 0.000 0.823 380 A HN 0.383 nan 8.150 nan 0.000 0.451 381 K N -1.056 119.271 120.400 -0.122 0.000 2.520 381 K HA -0.127 4.193 4.320 -0.000 0.000 0.197 381 K C 0.756 177.129 176.600 -0.378 0.000 1.043 381 K CA 1.079 57.223 56.287 -0.238 0.000 0.944 381 K CB -0.207 32.117 32.500 -0.294 0.000 0.770 381 K HN 0.675 nan 8.250 nan 0.000 0.480 382 H N -0.681 118.332 119.070 -0.095 0.000 2.672 382 H HA 0.148 4.704 4.556 -0.000 0.000 0.277 382 H C -0.376 174.912 175.328 -0.066 0.000 1.074 382 H CA -0.041 55.956 56.048 -0.085 0.000 1.173 382 H CB 0.702 30.404 29.762 -0.101 0.000 1.558 382 H HN -0.155 nan 8.280 nan 0.000 0.539 383 V N 3.558 123.478 119.914 0.010 0.000 2.370 383 V HA 0.175 4.295 4.120 -0.000 0.000 0.279 383 V C -0.063 176.012 176.094 -0.031 0.000 1.029 383 V CA -0.428 61.869 62.300 -0.005 0.000 0.870 383 V CB 1.502 33.316 31.823 -0.016 0.000 0.984 383 V HN 0.459 nan 8.190 nan 0.000 0.451 384 D N 4.038 124.425 120.400 -0.022 0.000 3.009 384 D HA 0.487 5.127 4.640 -0.000 0.000 0.318 384 D C 0.898 177.185 176.300 -0.022 0.000 1.273 384 D CA 0.012 53.993 54.000 -0.031 0.000 1.001 384 D CB 1.144 41.925 40.800 -0.032 0.000 1.411 384 D HN 0.388 nan 8.370 nan 0.000 0.577 385 A N -0.598 122.208 122.820 -0.024 0.000 2.070 385 A HA 0.185 4.505 4.320 -0.000 0.000 0.220 385 A C 1.863 179.438 177.584 -0.014 0.000 1.159 385 A CA 1.786 53.811 52.037 -0.019 0.000 0.656 385 A CB -1.394 17.592 19.000 -0.022 0.000 0.800 385 A HN 0.636 nan 8.150 nan 0.000 0.453 386 G N -1.226 107.568 108.800 -0.011 0.000 3.026 386 G HA2 0.368 4.328 3.960 -0.000 0.000 0.208 386 G HA3 0.368 4.328 3.960 -0.000 0.000 0.208 386 G C 0.060 174.958 174.900 -0.003 0.000 1.169 386 G CA 0.472 45.568 45.100 -0.007 0.000 0.788 386 G HN 0.253 nan 8.290 nan 0.000 0.533 387 V N 0.736 120.650 119.914 -0.001 0.000 2.487 387 V HA 0.375 4.495 4.120 -0.000 0.000 0.298 387 V C -0.287 175.813 176.094 0.009 0.000 1.028 387 V CA -0.672 61.630 62.300 0.004 0.000 0.860 387 V CB 1.836 33.665 31.823 0.010 0.000 0.991 387 V HN 0.036 nan 8.190 nan 0.000 0.427 388 T N 4.419 118.977 114.554 0.006 0.000 2.744 388 T HA 0.441 4.791 4.350 -0.000 0.000 0.291 388 T C -0.136 174.577 174.700 0.022 0.000 0.957 388 T CA -0.228 61.879 62.100 0.012 0.000 1.002 388 T CB 1.230 70.090 68.868 -0.012 0.000 0.919 388 T HN 0.352 nan 8.240 nan 0.000 0.468 389 V N 5.121 125.079 119.914 0.074 0.000 2.383 389 V HA 0.315 4.435 4.120 -0.000 0.000 0.275 389 V C 0.159 176.272 176.094 0.033 0.000 1.036 389 V CA -0.606 61.756 62.300 0.103 0.000 0.889 389 V CB 1.339 33.297 31.823 0.224 0.000 0.985 389 V HN 0.678 nan 8.190 nan 0.000 0.459 390 V N 4.444 124.314 119.914 -0.073 0.000 2.472 390 V HA 0.818 4.938 4.120 -0.000 0.000 0.290 390 V C 0.383 176.341 176.094 -0.227 0.000 1.037 390 V CA -0.447 61.727 62.300 -0.209 0.000 0.908 390 V CB 1.606 33.306 31.823 -0.205 0.000 0.985 390 V HN 0.955 nan 8.190 nan 0.000 0.454 391 A N 3.156 125.739 122.820 -0.394 0.000 2.355 391 A HA 0.827 5.147 4.320 -0.000 0.000 0.317 391 A C -0.856 176.441 177.584 -0.478 0.000 1.094 391 A CA -0.382 51.458 52.037 -0.328 0.000 0.764 391 A CB 1.605 20.443 19.000 -0.270 0.000 1.230 391 A HN 0.777 nan 8.150 nan 0.000 0.448 392 D N 0.197 120.430 120.400 -0.279 0.000 2.744 392 D HA 0.576 5.216 4.640 -0.000 0.000 0.304 392 D C 0.797 177.164 176.300 0.112 0.000 1.179 392 D CA 0.783 54.639 54.000 -0.239 0.000 1.024 392 D CB 1.622 42.319 40.800 -0.172 0.000 1.453 392 D HN 1.486 nan 8.370 nan 0.000 0.529 393 G N -0.001 108.965 108.800 0.278 0.000 2.143 393 G HA2 0.115 4.075 3.960 -0.000 0.000 0.248 393 G HA3 0.115 4.075 3.960 -0.000 0.000 0.248 393 G C 0.969 176.076 174.900 0.345 0.000 0.991 393 G CA 1.252 46.524 45.100 0.286 0.000 0.689 393 G HN 1.626 nan 8.290 nan 0.000 0.522 394 A N -1.423 121.746 122.820 0.582 0.000 5.135 394 A HA -0.315 4.005 4.320 -0.000 0.000 0.292 394 A C 1.855 179.348 177.584 -0.151 0.000 2.079 394 A CA 2.214 54.383 52.037 0.221 0.000 0.716 394 A CB -1.623 17.473 19.000 0.160 0.000 1.208 394 A HN 1.287 nan 8.150 nan 0.000 0.351 395 L N -0.453 120.721 121.223 -0.082 0.000 2.010 395 L HA -0.283 4.057 4.340 -0.000 0.000 0.219 395 L C 2.802 179.707 176.870 0.058 0.000 1.077 395 L CA 2.818 57.609 54.840 -0.082 0.000 0.773 395 L CB -1.196 40.859 42.059 -0.007 0.000 0.892 395 L HN 0.916 nan 8.230 nan 0.000 0.436 396 T N -0.518 114.114 114.554 0.131 0.000 2.594 396 T HA -0.316 4.034 4.350 -0.000 0.000 0.266 396 T C 1.587 176.398 174.700 0.184 0.000 1.070 396 T CA 2.522 64.728 62.100 0.176 0.000 1.166 396 T CB -0.696 68.256 68.868 0.141 0.000 0.862 396 T HN 0.621 nan 8.240 nan 0.000 0.436 397 Y N 0.832 121.188 120.300 0.094 0.000 2.457 397 Y HA 0.329 4.879 4.550 0.000 0.000 0.292 397 Y C 1.878 177.818 175.900 0.067 0.000 1.125 397 Y CA 0.218 58.350 58.100 0.054 0.000 1.254 397 Y CB -0.740 37.691 38.460 -0.048 0.000 1.012 397 Y HN 0.131 nan 8.280 nan 0.000 0.555 398 L N -1.317 119.579 121.223 -0.545 0.000 2.156 398 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 398 L C 1.938 178.678 176.870 -0.215 0.000 1.095 398 L CA 1.144 55.708 54.840 -0.459 0.000 0.770 398 L CB -0.449 41.253 42.059 -0.595 0.000 0.914 398 L HN 0.305 nan 8.230 nan 0.000 0.439 399 W N -0.750 120.551 121.300 0.002 0.000 2.441 399 W HA -0.126 4.534 4.660 -0.000 0.000 0.302 399 W C 2.284 178.889 176.519 0.143 0.000 1.191 399 W CA -0.060 57.355 57.345 0.117 0.000 1.327 399 W CB -0.262 29.271 29.460 0.123 0.000 1.128 399 W HN -0.013 nan 8.180 nan 0.000 0.522 400 L N 1.067 122.500 121.223 0.349 0.000 2.197 400 L HA -0.254 4.085 4.340 -0.000 0.000 0.215 400 L C 2.426 179.419 176.870 0.205 0.000 1.095 400 L CA 2.476 57.463 54.840 0.245 0.000 0.764 400 L CB -0.924 41.273 42.059 0.230 0.000 0.897 400 L HN 0.020 nan 8.230 nan 0.000 0.436 401 S N -2.436 113.395 115.700 0.218 0.000 2.501 401 S HA 0.001 4.470 4.470 -0.000 0.000 0.220 401 S C 1.558 176.282 174.600 0.206 0.000 0.997 401 S CA 0.142 58.455 58.200 0.189 0.000 0.919 401 S CB -0.400 62.950 63.200 0.249 0.000 0.778 401 S HN 0.480 nan 8.310 nan 0.000 0.523 402 E N 1.553 121.917 120.200 0.273 0.000 2.478 402 E HA 0.017 4.367 4.350 -0.000 0.000 0.198 402 E C 1.910 178.785 176.600 0.459 0.000 1.046 402 E CA 0.921 57.539 56.400 0.364 0.000 0.870 402 E CB 0.302 30.272 29.700 0.450 0.000 0.818 402 E HN 0.734 nan 8.360 nan 0.000 0.527 403 V N -3.503 116.593 119.914 0.304 0.000 3.635 403 V HA 0.095 4.215 4.120 -0.000 0.000 0.266 403 V C 1.771 177.903 176.094 0.063 0.000 1.316 403 V CA -0.008 62.443 62.300 0.252 0.000 1.060 403 V CB 0.106 31.990 31.823 0.102 0.000 0.820 403 V HN -0.031 nan 8.190 nan 0.000 0.447 404 M N 1.056 120.635 119.600 -0.035 0.000 2.374 404 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 404 M C 2.227 178.423 176.300 -0.174 0.000 1.067 404 M CA 1.431 56.597 55.300 -0.224 0.000 1.103 404 M CB -1.212 31.044 32.600 -0.573 0.000 1.402 404 M HN 0.533 nan 8.290 nan 0.000 0.444 405 S N 0.799 116.460 115.700 -0.064 0.000 2.382 405 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 405 S C 1.789 176.323 174.600 -0.109 0.000 1.027 405 S CA 1.294 59.459 58.200 -0.058 0.000 0.991 405 S CB -0.349 62.863 63.200 0.020 0.000 0.823 405 S HN 0.589 nan 8.310 nan 0.000 0.469 406 R N 1.549 121.968 120.500 -0.134 0.000 2.276 406 R HA 0.082 4.422 4.340 -0.000 0.000 0.203 406 R C 0.721 176.924 176.300 -0.161 0.000 1.017 406 R CA 0.462 56.440 56.100 -0.203 0.000 1.010 406 R CB -0.438 29.635 30.300 -0.378 0.000 0.900 406 R HN 0.401 nan 8.270 nan 0.000 0.469 407 V N -2.085 117.746 119.914 -0.138 0.000 3.177 407 V HA 0.497 4.617 4.120 -0.000 0.000 0.319 407 V C -0.725 175.300 176.094 -0.116 0.000 1.125 407 V CA -1.265 60.962 62.300 -0.121 0.000 1.029 407 V CB 1.916 33.675 31.823 -0.107 0.000 1.119 407 V HN 0.054 nan 8.190 nan 0.000 0.452 408 K N 2.373 122.717 120.400 -0.094 0.000 2.753 408 K HA 0.440 4.760 4.320 -0.000 0.000 0.185 408 K C -2.831 173.734 176.600 -0.058 0.000 1.071 408 K CA -1.425 54.815 56.287 -0.079 0.000 0.999 408 K CB 1.424 33.881 32.500 -0.070 0.000 1.244 408 K HN 0.604 nan 8.250 nan 0.000 0.594 409 P HA 0.039 nan 4.420 nan 0.000 0.276 409 P C 0.780 178.077 177.300 -0.005 0.000 1.244 409 P CA -0.097 62.990 63.100 -0.023 0.000 0.801 409 P CB 1.103 32.801 31.700 -0.004 0.000 1.006 410 G N 0.717 109.517 108.800 0.001 0.000 2.432 410 G HA2 0.143 4.103 3.960 -0.000 0.000 0.219 410 G HA3 0.143 4.103 3.960 -0.000 0.000 0.219 410 G C 0.666 175.573 174.900 0.013 0.000 1.135 410 G CA 0.754 45.854 45.100 -0.001 0.000 0.767 410 G HN 0.829 nan 8.290 nan 0.000 0.550 411 G N -1.788 107.037 108.800 0.040 0.000 2.720 411 G HA2 0.478 4.438 3.960 -0.000 0.000 0.295 411 G HA3 0.478 4.438 3.960 -0.000 0.000 0.295 411 G C -2.118 172.877 174.900 0.158 0.000 1.437 411 G CA -0.705 44.429 45.100 0.057 0.000 0.886 411 G HN 0.251 nan 8.290 nan 0.000 0.509 412 F N 2.123 122.042 119.950 -0.051 0.000 3.164 412 F HA 0.498 5.025 4.527 -0.000 0.000 0.375 412 F C -1.224 174.530 175.800 -0.077 0.000 1.257 412 F CA -1.169 56.794 58.000 -0.061 0.000 1.171 412 F CB 1.098 40.076 39.000 -0.037 0.000 1.588 412 F HN 0.331 nan 8.300 nan 0.000 0.604 413 L N 6.639 127.586 121.223 -0.461 0.000 2.272 413 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 413 L C 0.068 176.500 176.870 -0.730 0.000 1.045 413 L CA -0.492 54.069 54.840 -0.465 0.000 0.842 413 L CB 0.793 42.682 42.059 -0.283 0.000 1.224 413 L HN 0.647 nan 8.230 nan 0.000 0.430 414 C N 1.681 120.510 119.300 -0.785 0.000 2.711 414 C HA 0.459 4.919 4.460 -0.000 0.000 0.410 414 C C 0.573 175.215 174.990 -0.580 0.000 1.553 414 C CA -0.552 57.947 59.018 -0.866 0.000 1.759 414 C CB 1.314 28.354 27.740 -1.166 0.000 2.077 414 C HN 0.761 nan 8.230 nan 0.000 0.483 415 H N 0.004 118.748 119.070 -0.542 0.000 2.886 415 H HA 0.372 4.928 4.556 -0.000 0.000 0.329 415 H C 0.873 176.086 175.328 -0.193 0.000 1.044 415 H CA 1.064 56.892 56.048 -0.367 0.000 1.456 415 H CB 0.687 30.180 29.762 -0.449 0.000 1.464 415 H HN 0.821 nan 8.280 nan 0.000 0.573 416 G N 1.391 110.168 108.800 -0.038 0.000 2.666 416 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.207 416 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.207 416 G C -0.042 174.833 174.900 -0.042 0.000 1.481 416 G CA -0.344 44.664 45.100 -0.153 0.000 1.071 416 G HN 0.618 nan 8.290 nan 0.000 0.572 417 Y N -0.353 119.941 120.300 -0.010 0.000 2.439 417 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 417 Y C 2.580 178.475 175.900 -0.008 0.000 1.130 417 Y CA -0.194 57.901 58.100 -0.009 0.000 1.254 417 Y CB -0.566 37.884 38.460 -0.017 0.000 1.000 417 Y HN 0.122 nan 8.280 nan 0.000 0.554 418 L N -0.433 120.860 121.223 0.117 0.000 2.083 418 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 418 L C 1.715 178.571 176.870 -0.023 0.000 1.083 418 L CA 1.775 56.649 54.840 0.057 0.000 0.752 418 L CB -0.878 41.203 42.059 0.037 0.000 0.899 418 L HN 0.512 nan 8.230 nan 0.000 0.433 419 G N 0.012 108.759 108.800 -0.087 0.000 2.225 419 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 419 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 419 G C 0.396 175.035 174.900 -0.436 0.000 1.024 419 G CA 0.713 45.642 45.100 -0.284 0.000 0.784 419 G HN 0.426 nan 8.290 nan 0.000 0.507 420 S N 0.765 116.269 115.700 -0.326 0.000 2.414 420 S HA 0.538 5.008 4.470 -0.000 0.000 0.290 420 S C 1.282 175.696 174.600 -0.310 0.000 1.160 420 S CA -0.619 57.422 58.200 -0.265 0.000 1.069 420 S CB -0.132 62.974 63.200 -0.155 0.000 1.012 420 S HN 0.284 nan 8.310 nan 0.000 0.510 421 M N 4.089 123.508 119.600 -0.301 0.000 2.252 421 M HA 0.187 4.667 4.480 -0.000 0.000 0.348 421 M C 1.586 177.603 176.300 -0.473 0.000 1.334 421 M CA 1.076 56.276 55.300 -0.167 0.000 1.071 421 M CB -0.333 32.305 32.600 0.063 0.000 1.763 421 M HN 0.997 nan 8.290 nan 0.000 0.452 422 G N 1.971 110.642 108.800 -0.215 0.000 2.201 422 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.212 422 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.212 422 G C 0.419 175.170 174.900 -0.248 0.000 0.994 422 G CA 0.276 45.219 45.100 -0.261 0.000 0.644 422 G HN 0.805 nan 8.290 nan 0.000 0.508 423 V N -0.149 119.560 119.914 -0.341 0.000 3.217 423 V HA 0.451 4.571 4.120 -0.000 0.000 0.264 423 V C 2.310 178.141 176.094 -0.438 0.000 1.135 423 V CA 2.012 63.908 62.300 -0.673 0.000 1.142 423 V CB -0.377 30.971 31.823 -0.791 0.000 0.754 423 V HN 0.860 nan 8.190 nan 0.000 0.484 424 G N -0.355 108.296 108.800 -0.249 0.000 2.402 424 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 424 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 424 G C 1.291 176.116 174.900 -0.126 0.000 1.162 424 G CA 1.032 45.996 45.100 -0.226 0.000 0.777 424 G HN 0.485 nan 8.290 nan 0.000 0.539 425 F N 2.236 122.069 119.950 -0.194 0.000 2.075 425 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 425 F C 2.740 178.446 175.800 -0.156 0.000 1.113 425 F CA 1.375 59.266 58.000 -0.182 0.000 1.218 425 F CB -0.728 38.162 39.000 -0.183 0.000 0.984 425 F HN 0.140 nan 8.300 nan 0.000 0.472 426 G N -1.434 107.450 108.800 0.141 0.000 2.422 426 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 426 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 426 G C 1.661 176.562 174.900 0.001 0.000 1.146 426 G CA 1.410 46.553 45.100 0.071 0.000 0.769 426 G HN 0.378 nan 8.290 nan 0.000 0.547 427 T N 1.842 116.370 114.554 -0.044 0.000 2.652 427 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 427 T C 2.805 177.446 174.700 -0.098 0.000 1.039 427 T CA 1.699 63.742 62.100 -0.095 0.000 1.153 427 T CB -0.468 68.305 68.868 -0.159 0.000 0.863 427 T HN 0.373 nan 8.240 nan 0.000 0.428 428 A N 0.772 123.535 122.820 -0.095 0.000 1.972 428 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 428 A C 2.283 179.846 177.584 -0.034 0.000 1.169 428 A CA 1.125 53.109 52.037 -0.089 0.000 0.635 428 A CB -0.762 18.152 19.000 -0.144 0.000 0.810 428 A HN 0.501 nan 8.150 nan 0.000 0.446 429 L N -0.851 120.376 121.223 0.008 0.000 2.044 429 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 429 L C 2.473 179.368 176.870 0.041 0.000 1.075 429 L CA 1.495 56.368 54.840 0.054 0.000 0.747 429 L CB -0.510 41.603 42.059 0.090 0.000 0.903 429 L HN 0.369 nan 8.230 nan 0.000 0.435 430 G N -0.999 107.751 108.800 -0.082 0.000 2.408 430 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 430 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 430 G C 1.629 176.556 174.900 0.045 0.000 1.150 430 G CA 0.647 45.645 45.100 -0.170 0.000 0.776 430 G HN 0.556 nan 8.290 nan 0.000 0.542 431 A N 0.528 123.336 122.820 -0.019 0.000 1.883 431 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 431 A C 2.314 179.902 177.584 0.007 0.000 1.186 431 A CA 2.353 54.377 52.037 -0.022 0.000 0.624 431 A CB -0.563 18.403 19.000 -0.057 0.000 0.822 431 A HN 0.409 nan 8.150 nan 0.000 0.444 432 Q N -0.109 119.705 119.800 0.023 0.000 2.181 432 Q HA -0.107 4.233 4.340 -0.000 0.000 0.205 432 Q C 1.779 177.816 176.000 0.061 0.000 0.980 432 Q CA 1.958 57.783 55.803 0.036 0.000 0.862 432 Q CB -0.587 28.175 28.738 0.040 0.000 0.905 432 Q HN 0.395 nan 8.270 nan 0.000 0.429 433 V N 0.415 120.399 119.914 0.116 0.000 2.270 433 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 433 V C 2.289 178.416 176.094 0.054 0.000 1.043 433 V CA 1.778 64.144 62.300 0.111 0.000 1.014 433 V CB -1.427 30.520 31.823 0.207 0.000 0.645 433 V HN 0.516 nan 8.190 nan 0.000 0.447 434 A N 0.027 122.879 122.820 0.053 0.000 1.883 434 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 434 A C 1.994 179.525 177.584 -0.088 0.000 1.186 434 A CA 2.240 54.167 52.037 -0.184 0.000 0.624 434 A CB -0.795 17.983 19.000 -0.370 0.000 0.822 434 A HN 0.536 nan 8.150 nan 0.000 0.444 435 D N -0.516 119.857 120.400 -0.045 0.000 2.182 435 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 435 D C 1.712 178.011 176.300 -0.002 0.000 0.986 435 D CA 0.750 54.735 54.000 -0.025 0.000 0.847 435 D CB -0.242 40.549 40.800 -0.014 0.000 0.942 435 D HN 0.246 nan 8.370 nan 0.000 0.467 436 L N 1.285 122.517 121.223 0.015 0.000 2.046 436 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 436 L C 2.108 179.000 176.870 0.037 0.000 1.077 436 L CA 1.411 56.270 54.840 0.032 0.000 0.747 436 L CB -0.852 41.236 42.059 0.049 0.000 0.896 436 L HN 0.094 nan 8.230 nan 0.000 0.432 437 E N -0.695 119.529 120.200 0.040 0.000 2.147 437 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 437 E C 1.479 178.092 176.600 0.021 0.000 1.005 437 E CA 1.379 57.808 56.400 0.049 0.000 0.810 437 E CB -0.211 29.518 29.700 0.050 0.000 0.736 437 E HN 0.493 nan 8.360 nan 0.000 0.460 438 A N 0.236 123.057 122.820 0.002 0.000 2.574 438 A HA 0.431 4.751 4.320 -0.000 0.000 0.283 438 A C 1.111 178.695 177.584 -0.000 0.000 1.270 438 A CA 0.286 52.321 52.037 -0.004 0.000 0.945 438 A CB 0.022 19.011 19.000 -0.018 0.000 1.127 438 A HN 0.216 nan 8.150 nan 0.000 0.522 439 G N 0.599 109.404 108.800 0.008 0.000 2.412 439 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.297 439 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.297 439 G C 0.204 175.106 174.900 0.003 0.000 0.965 439 G CA 0.602 45.707 45.100 0.009 0.000 1.134 439 G HN 0.637 nan 8.290 nan 0.000 0.511 440 R N -1.214 119.286 120.500 0.001 0.000 2.720 440 R HA 0.644 4.984 4.340 -0.000 0.000 0.272 440 R C 0.226 176.528 176.300 0.003 0.000 0.991 440 R CA -1.158 54.941 56.100 -0.002 0.000 1.010 440 R CB 1.109 31.403 30.300 -0.009 0.000 1.141 440 R HN 0.202 nan 8.270 nan 0.000 0.494 441 R N 0.142 120.643 120.500 0.002 0.000 2.407 441 R HA 0.259 4.598 4.340 -0.000 0.000 0.303 441 R C -1.074 175.225 176.300 -0.001 0.000 0.981 441 R CA -0.068 56.035 56.100 0.004 0.000 0.905 441 R CB 1.361 31.663 30.300 0.003 0.000 1.099 441 R HN 0.522 nan 8.270 nan 0.000 0.459 442 T N 5.007 119.560 114.554 -0.002 0.000 2.795 442 T HA 0.508 4.858 4.350 -0.000 0.000 0.282 442 T C 0.123 174.810 174.700 -0.022 0.000 0.980 442 T CA -0.442 61.650 62.100 -0.014 0.000 1.012 442 T CB 0.645 69.501 68.868 -0.020 0.000 0.936 442 T HN 0.400 nan 8.240 nan 0.000 0.457 443 I N 3.210 123.764 120.570 -0.027 0.000 2.436 443 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 443 I C -0.820 175.260 176.117 -0.062 0.000 1.010 443 I CA -1.128 60.150 61.300 -0.036 0.000 1.098 443 I CB 1.897 39.886 38.000 -0.017 0.000 1.266 443 I HN 0.357 nan 8.210 nan 0.000 0.434 444 L N 8.486 129.644 121.223 -0.109 0.000 2.265 444 L HA 0.473 4.813 4.340 -0.000 0.000 0.288 444 L C -0.633 176.171 176.870 -0.110 0.000 1.058 444 L CA -0.160 54.585 54.840 -0.158 0.000 0.809 444 L CB 1.315 43.193 42.059 -0.301 0.000 1.179 444 L HN 0.312 nan 8.230 nan 0.000 0.429 445 V N 4.948 124.818 119.914 -0.074 0.000 2.328 445 V HA 0.581 4.701 4.120 -0.000 0.000 0.278 445 V C 0.247 176.314 176.094 -0.045 0.000 1.021 445 V CA -0.318 61.967 62.300 -0.025 0.000 0.838 445 V CB 0.884 32.735 31.823 0.046 0.000 0.999 445 V HN 0.903 nan 8.190 nan 0.000 0.447 446 T N 3.266 117.786 114.554 -0.057 0.000 2.887 446 T HA 0.754 5.104 4.350 -0.000 0.000 0.292 446 T C 0.246 174.930 174.700 -0.027 0.000 1.087 446 T CA 0.154 62.225 62.100 -0.048 0.000 1.009 446 T CB 1.915 70.722 68.868 -0.101 0.000 1.203 446 T HN 0.850 nan 8.240 nan 0.000 0.518 447 G N 0.450 109.253 108.800 0.005 0.000 2.528 447 G HA2 0.343 4.303 3.960 -0.000 0.000 0.289 447 G HA3 0.343 4.303 3.960 -0.000 0.000 0.289 447 G C 0.822 175.647 174.900 -0.124 0.000 1.192 447 G CA -0.083 45.006 45.100 -0.018 0.000 0.921 447 G HN 0.826 nan 8.290 nan 0.000 0.512 448 D N -0.302 119.991 120.400 -0.179 0.000 2.149 448 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 448 D C 2.171 178.226 176.300 -0.409 0.000 0.972 448 D CA 1.173 54.954 54.000 -0.365 0.000 0.835 448 D CB -0.766 39.959 40.800 -0.124 0.000 0.966 448 D HN 0.471 nan 8.370 nan 0.000 0.476 449 G N 1.008 109.549 108.800 -0.432 0.000 2.480 449 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 449 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 449 G C 1.860 176.669 174.900 -0.152 0.000 1.200 449 G CA 1.522 46.133 45.100 -0.816 0.000 0.782 449 G HN 0.369 nan 8.290 nan 0.000 0.554 450 S N -0.171 115.617 115.700 0.148 0.000 2.382 450 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 450 S C 2.264 177.041 174.600 0.295 0.000 1.027 450 S CA 0.943 59.364 58.200 0.368 0.000 0.991 450 S CB -0.310 63.031 63.200 0.234 0.000 0.823 450 S HN 0.159 nan 8.310 nan 0.000 0.469 451 V N 2.250 122.214 119.914 0.083 0.000 2.594 451 V HA -0.078 4.042 4.120 -0.000 0.000 0.253 451 V C 2.232 178.426 176.094 0.167 0.000 1.069 451 V CA 1.774 64.143 62.300 0.115 0.000 1.082 451 V CB -1.060 30.736 31.823 -0.044 0.000 0.680 451 V HN 0.568 nan 8.190 nan 0.000 0.469 452 G N -1.773 107.071 108.800 0.074 0.000 2.448 452 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 452 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 452 G C 1.299 176.242 174.900 0.071 0.000 1.127 452 G CA 0.893 46.042 45.100 0.083 0.000 0.766 452 G HN 0.586 nan 8.290 nan 0.000 0.552 453 Y N 0.733 121.105 120.300 0.120 0.000 2.256 453 Y HA -0.006 4.544 4.550 -0.000 0.000 0.288 453 Y C 2.329 178.234 175.900 0.008 0.000 1.155 453 Y CA 1.593 59.743 58.100 0.082 0.000 1.203 453 Y CB 0.399 38.900 38.460 0.067 0.000 0.980 453 Y HN 0.178 nan 8.280 nan 0.000 0.530 454 S N -1.410 114.355 115.700 0.108 0.000 3.082 454 S HA 0.127 4.597 4.470 -0.000 0.000 0.253 454 S C 1.263 175.606 174.600 -0.428 0.000 0.961 454 S CA -0.354 57.761 58.200 -0.143 0.000 1.129 454 S CB -0.137 62.967 63.200 -0.161 0.000 1.083 454 S HN 0.318 nan 8.310 nan 0.000 0.605 455 I N 2.209 122.715 120.570 -0.108 0.000 2.300 455 I HA -0.212 3.958 4.170 -0.000 0.000 0.252 455 I C 2.141 178.160 176.117 -0.163 0.000 1.119 455 I CA 1.719 63.031 61.300 0.021 0.000 1.384 455 I CB -0.041 38.129 38.000 0.282 0.000 1.062 455 I HN 0.468 nan 8.210 nan 0.000 0.426 456 G N -0.484 108.176 108.800 -0.234 0.000 2.625 456 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 456 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 456 G C 1.320 175.844 174.900 -0.628 0.000 1.132 456 G CA 0.203 45.038 45.100 -0.442 0.000 0.782 456 G HN 0.345 nan 8.290 nan 0.000 0.538 457 E N 0.290 120.012 120.200 -0.798 0.000 2.418 457 E HA 0.000 4.350 4.350 -0.000 0.000 0.197 457 E C 1.783 178.050 176.600 -0.554 0.000 1.026 457 E CA -0.066 55.873 56.400 -0.768 0.000 0.862 457 E CB -0.328 28.796 29.700 -0.962 0.000 0.799 457 E HN 0.608 nan 8.360 nan 0.000 0.518 458 F N 1.442 121.140 119.950 -0.419 0.000 2.115 458 F HA -0.278 4.249 4.527 -0.000 0.000 0.300 458 F C 2.276 177.953 175.800 -0.206 0.000 1.092 458 F CA 1.513 59.438 58.000 -0.126 0.000 1.245 458 F CB -0.197 38.818 39.000 0.025 0.000 0.995 458 F HN 0.086 nan 8.300 nan 0.000 0.481 459 D N -0.399 119.758 120.400 -0.406 0.000 2.133 459 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 459 D C 1.989 178.268 176.300 -0.035 0.000 0.997 459 D CA 2.061 55.963 54.000 -0.163 0.000 0.840 459 D CB -0.187 40.472 40.800 -0.235 0.000 0.947 459 D HN 0.123 nan 8.370 nan 0.000 0.452 460 T N 0.104 114.606 114.554 -0.087 0.000 2.867 460 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 460 T C 1.699 176.431 174.700 0.053 0.000 1.057 460 T CA 0.376 62.473 62.100 -0.006 0.000 1.136 460 T CB -0.145 68.708 68.868 -0.025 0.000 0.874 460 T HN 0.058 nan 8.240 nan 0.000 0.466 461 L N 1.093 122.361 121.223 0.075 0.000 1.970 461 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 461 L C 2.686 179.640 176.870 0.139 0.000 1.071 461 L CA 1.435 56.357 54.840 0.137 0.000 0.751 461 L CB -1.315 40.877 42.059 0.222 0.000 0.889 461 L HN 0.141 nan 8.230 nan 0.000 0.432 462 V N -0.552 119.456 119.914 0.155 0.000 2.261 462 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 462 V C 2.591 178.750 176.094 0.109 0.000 1.047 462 V CA 1.674 64.059 62.300 0.141 0.000 1.015 462 V CB -0.652 31.270 31.823 0.166 0.000 0.642 462 V HN 0.413 nan 8.190 nan 0.000 0.446 463 R N 0.090 120.649 120.500 0.098 0.000 2.159 463 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 463 R C 1.973 178.318 176.300 0.074 0.000 1.131 463 R CA 0.897 57.045 56.100 0.081 0.000 0.982 463 R CB -0.147 30.196 30.300 0.072 0.000 0.868 463 R HN 0.390 nan 8.270 nan 0.000 0.453 464 K N 0.109 120.556 120.400 0.079 0.000 2.353 464 K HA 0.076 4.396 4.320 -0.000 0.000 0.195 464 K C 0.054 176.701 176.600 0.079 0.000 1.031 464 K CA 0.162 56.494 56.287 0.075 0.000 1.079 464 K CB 0.708 33.254 32.500 0.078 0.000 0.857 464 K HN 0.168 nan 8.250 nan 0.000 0.535 465 Q N 0.560 120.413 119.800 0.088 0.000 2.478 465 Q HA -0.175 4.165 4.340 -0.000 0.000 0.286 465 Q C -0.787 175.266 176.000 0.089 0.000 1.299 465 Q CA 0.487 56.343 55.803 0.087 0.000 0.826 465 Q CB -2.360 26.423 28.738 0.075 0.000 1.199 465 Q HN 0.251 nan 8.270 nan 0.000 0.451 466 L N 1.996 123.278 121.223 0.099 0.000 2.262 466 L HA 0.277 4.617 4.340 -0.000 0.000 0.288 466 L C -1.211 175.721 176.870 0.104 0.000 1.035 466 L CA -1.795 53.102 54.840 0.096 0.000 0.820 466 L CB 0.698 42.817 42.059 0.100 0.000 1.204 466 L HN -0.093 nan 8.230 nan 0.000 0.424 467 P HA -0.038 nan 4.420 nan 0.000 0.269 467 P C 0.109 177.460 177.300 0.085 0.000 1.461 467 P CA -0.266 62.892 63.100 0.096 0.000 0.809 467 P CB -0.032 31.717 31.700 0.081 0.000 1.503 468 L N 0.709 121.981 121.223 0.082 0.000 2.525 468 L HA 0.039 4.378 4.340 -0.000 0.000 0.278 468 L C 0.073 176.982 176.870 0.064 0.000 1.218 468 L CA 0.442 55.310 54.840 0.047 0.000 0.878 468 L CB -0.241 41.831 42.059 0.022 0.000 1.127 468 L HN -0.068 nan 8.230 nan 0.000 0.492 469 I N 5.849 126.435 120.570 0.026 0.000 2.321 469 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 469 I C -0.614 175.498 176.117 -0.008 0.000 0.998 469 I CA -0.743 60.580 61.300 0.038 0.000 1.227 469 I CB 1.372 39.375 38.000 0.006 0.000 1.368 469 I HN 0.274 nan 8.210 nan 0.000 0.466 470 V N 7.871 127.808 119.914 0.038 0.000 2.333 470 V HA 0.378 4.498 4.120 -0.000 0.000 0.274 470 V C 0.206 176.317 176.094 0.027 0.000 1.028 470 V CA -0.374 61.893 62.300 -0.054 0.000 0.851 470 V CB 1.103 32.872 31.823 -0.090 0.000 1.000 470 V HN 0.478 nan 8.190 nan 0.000 0.456 471 I N 6.223 126.783 120.570 -0.017 0.000 2.321 471 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 471 I C -0.343 175.749 176.117 -0.041 0.000 0.998 471 I CA -0.312 60.992 61.300 0.007 0.000 1.227 471 I CB 1.474 39.514 38.000 0.067 0.000 1.368 471 I HN 0.435 nan 8.210 nan 0.000 0.466 472 I N 6.718 127.259 120.570 -0.049 0.000 2.321 472 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 472 I C -0.006 176.051 176.117 -0.101 0.000 0.998 472 I CA -0.440 60.815 61.300 -0.075 0.000 1.227 472 I CB 1.095 39.058 38.000 -0.063 0.000 1.368 472 I HN 0.398 nan 8.210 nan 0.000 0.466 473 M N 5.838 125.387 119.600 -0.084 0.000 2.261 473 M HA 0.168 4.648 4.480 -0.000 0.000 0.349 473 M C -0.175 176.094 176.300 -0.051 0.000 1.305 473 M CA -0.029 55.220 55.300 -0.085 0.000 1.240 473 M CB -0.169 32.407 32.600 -0.040 0.000 1.394 473 M HN 0.422 nan 8.290 nan 0.000 0.438 474 N N 3.890 122.567 118.700 -0.038 0.000 2.558 474 N HA 0.101 4.840 4.740 -0.000 0.000 0.233 474 N C 0.006 175.535 175.510 0.032 0.000 1.038 474 N CA -0.053 53.017 53.050 0.032 0.000 0.934 474 N CB 0.401 38.968 38.487 0.133 0.000 1.175 474 N HN 0.436 nan 8.380 nan 0.000 0.512 475 N N 2.411 121.125 118.700 0.023 0.000 2.251 475 N HA 0.007 4.747 4.740 -0.000 0.000 0.217 475 N C -0.400 175.134 175.510 0.041 0.000 1.124 475 N CA -0.096 52.972 53.050 0.030 0.000 0.843 475 N CB -0.068 38.439 38.487 0.033 0.000 1.024 475 N HN 0.471 nan 8.380 nan 0.000 0.501 476 Q N -0.405 119.420 119.800 0.043 0.000 2.457 476 Q HA -0.189 4.151 4.340 -0.000 0.000 0.283 476 Q C -1.017 174.988 176.000 0.009 0.000 1.234 476 Q CA 1.017 56.840 55.803 0.033 0.000 0.877 476 Q CB -2.155 26.608 28.738 0.041 0.000 1.250 476 Q HN 0.783 nan 8.270 nan 0.000 0.481 477 S N -2.689 112.996 115.700 -0.024 0.000 2.595 477 S HA 0.504 4.973 4.470 -0.000 0.000 0.270 477 S C -1.031 173.534 174.600 -0.058 0.000 1.145 477 S CA -1.175 57.020 58.200 -0.009 0.000 0.825 477 S CB 0.443 63.704 63.200 0.101 0.000 1.107 477 S HN 0.337 nan 8.310 nan 0.000 0.461 478 W N 2.094 123.448 121.300 0.089 0.000 2.429 478 W HA 0.459 5.119 4.660 -0.000 0.000 0.431 478 W C 1.504 178.066 176.519 0.071 0.000 1.038 478 W CA 0.012 57.406 57.345 0.082 0.000 1.635 478 W CB -0.225 29.284 29.460 0.083 0.000 1.721 478 W HN 1.083 nan 8.180 nan 0.000 0.366 479 G N 1.978 110.902 108.800 0.206 0.000 2.511 479 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 479 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 479 G C 1.722 176.618 174.900 -0.006 0.000 1.218 479 G CA 1.289 46.443 45.100 0.091 0.000 0.788 479 G HN 0.545 nan 8.290 nan 0.000 0.560 480 A N 0.586 123.380 122.820 -0.045 0.000 1.917 480 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 480 A C 2.638 180.297 177.584 0.125 0.000 1.182 480 A CA 3.203 55.210 52.037 -0.051 0.000 0.633 480 A CB -1.287 17.701 19.000 -0.020 0.000 0.819 480 A HN 0.574 nan 8.150 nan 0.000 0.448 481 T N -1.274 113.375 114.554 0.157 0.000 2.788 481 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 481 T C 1.858 176.719 174.700 0.267 0.000 1.044 481 T CA 1.294 63.508 62.100 0.189 0.000 1.139 481 T CB -0.549 68.391 68.868 0.120 0.000 0.867 481 T HN 0.311 nan 8.240 nan 0.000 0.454 482 L N 0.316 121.698 121.223 0.265 0.000 2.046 482 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 482 L C 2.844 179.898 176.870 0.306 0.000 1.077 482 L CA 1.682 56.685 54.840 0.271 0.000 0.747 482 L CB -0.418 41.801 42.059 0.268 0.000 0.896 482 L HN 0.398 nan 8.230 nan 0.000 0.432 483 H N -1.729 117.426 119.070 0.142 0.000 2.321 483 H HA -0.244 4.312 4.556 0.000 0.000 0.300 483 H C 2.094 177.485 175.328 0.106 0.000 1.087 483 H CA 1.629 57.742 56.048 0.108 0.000 1.319 483 H CB -0.166 29.657 29.762 0.102 0.000 1.379 483 H HN 0.412 nan 8.280 nan 0.000 0.501 484 F N 2.290 122.341 119.950 0.168 0.000 2.063 484 F HA -0.320 4.207 4.527 0.000 0.000 0.298 484 F C 2.576 178.416 175.800 0.067 0.000 1.109 484 F CA 1.788 59.842 58.000 0.090 0.000 1.212 484 F CB -0.224 38.814 39.000 0.063 0.000 0.973 484 F HN 0.122 nan 8.300 nan 0.000 0.480 485 Q N -0.359 119.537 119.800 0.161 0.000 2.045 485 Q HA -0.331 4.009 4.340 -0.000 0.000 0.206 485 Q C 2.313 178.284 176.000 -0.048 0.000 0.991 485 Q CA 2.226 58.056 55.803 0.045 0.000 0.851 485 Q CB -0.521 28.292 28.738 0.125 0.000 0.911 485 Q HN 0.580 nan 8.270 nan 0.000 0.418 486 Q N -0.205 119.589 119.800 -0.010 0.000 2.084 486 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 486 Q C 1.747 177.692 176.000 -0.092 0.000 0.978 486 Q CA 1.074 56.851 55.803 -0.044 0.000 0.844 486 Q CB 0.176 28.890 28.738 -0.040 0.000 0.898 486 Q HN 0.207 nan 8.270 nan 0.000 0.426 487 L N -1.067 120.084 121.223 -0.120 0.000 2.202 487 L HA 0.113 4.453 4.340 -0.000 0.000 0.205 487 L C 1.959 178.698 176.870 -0.218 0.000 1.083 487 L CA 1.583 56.339 54.840 -0.139 0.000 0.790 487 L CB -0.797 41.205 42.059 -0.095 0.000 0.942 487 L HN 0.183 nan 8.230 nan 0.000 0.452 488 A N -1.746 120.825 122.820 -0.415 0.000 2.030 488 A HA 0.113 4.433 4.320 -0.000 0.000 0.215 488 A C 1.957 179.358 177.584 -0.304 0.000 1.164 488 A CA 1.188 52.940 52.037 -0.475 0.000 0.697 488 A CB -0.065 18.340 19.000 -0.993 0.000 0.827 488 A HN 0.182 nan 8.150 nan 0.000 0.457 489 V N -1.925 117.838 119.914 -0.251 0.000 3.013 489 V HA 0.528 4.648 4.120 -0.000 0.000 0.238 489 V C 1.060 177.105 176.094 -0.083 0.000 1.161 489 V CA 0.603 62.826 62.300 -0.129 0.000 1.170 489 V CB -0.381 31.393 31.823 -0.082 0.000 0.917 489 V HN 0.950 nan 8.190 nan 0.000 0.478 490 G N 0.316 109.068 108.800 -0.080 0.000 2.329 490 G HA2 0.197 4.157 3.960 -0.000 0.000 0.308 490 G HA3 0.197 4.157 3.960 -0.000 0.000 0.308 490 G C -2.655 172.224 174.900 -0.036 0.000 1.587 490 G CA 0.029 45.099 45.100 -0.051 0.000 0.978 490 G HN -0.066 nan 8.290 nan 0.000 0.685 491 P HA -0.149 nan 4.420 nan 0.000 0.215 491 P C 1.339 178.635 177.300 -0.007 0.000 1.153 491 P CA 1.795 64.883 63.100 -0.021 0.000 0.853 491 P CB -0.194 31.493 31.700 -0.022 0.000 0.788 492 N N -1.024 117.673 118.700 -0.006 0.000 2.571 492 N HA -0.070 4.670 4.740 -0.000 0.000 0.189 492 N C 1.156 176.672 175.510 0.010 0.000 1.154 492 N CA 0.215 53.266 53.050 0.002 0.000 0.907 492 N CB -0.289 38.198 38.487 -0.001 0.000 0.977 492 N HN -0.066 nan 8.380 nan 0.000 0.449 493 R N 1.225 121.731 120.500 0.010 0.000 2.652 493 R HA 0.160 4.500 4.340 -0.000 0.000 0.372 493 R C -0.238 176.086 176.300 0.039 0.000 1.104 493 R CA -0.282 55.829 56.100 0.019 0.000 1.072 493 R CB 0.202 30.506 30.300 0.006 0.000 1.367 493 R HN 0.264 nan 8.270 nan 0.000 0.577 494 V N 0.055 119.998 119.914 0.048 0.000 2.461 494 V HA 0.651 4.771 4.120 -0.000 0.000 0.275 494 V C -0.312 175.826 176.094 0.072 0.000 1.047 494 V CA 0.028 62.371 62.300 0.072 0.000 0.955 494 V CB 1.261 33.134 31.823 0.083 0.000 0.988 494 V HN 0.356 nan 8.190 nan 0.000 0.471 495 T N 1.988 116.592 114.554 0.084 0.000 2.982 495 T HA 0.733 5.083 4.350 -0.000 0.000 0.321 495 T C 0.685 175.444 174.700 0.097 0.000 1.229 495 T CA 0.001 62.150 62.100 0.081 0.000 1.044 495 T CB 1.165 70.069 68.868 0.061 0.000 1.184 495 T HN 2.082 nan 8.240 nan 0.000 0.477 496 G N 1.478 110.344 108.800 0.110 0.000 2.225 496 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.254 496 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.254 496 G C 0.847 175.875 174.900 0.214 0.000 0.988 496 G CA 1.197 46.372 45.100 0.125 0.000 0.625 496 G HN 1.665 nan 8.290 nan 0.000 0.527 497 T N -1.753 112.942 114.554 0.235 0.000 3.069 497 T HA 0.455 4.805 4.350 -0.000 0.000 0.252 497 T C 0.961 175.859 174.700 0.331 0.000 1.053 497 T CA 0.065 62.381 62.100 0.359 0.000 0.964 497 T CB 0.414 69.447 68.868 0.275 0.000 1.005 497 T HN 0.479 nan 8.240 nan 0.000 0.532 498 R N 1.062 121.693 120.500 0.217 0.000 2.349 498 R HA 0.579 4.919 4.340 -0.000 0.000 0.299 498 R C -0.599 175.752 176.300 0.084 0.000 1.027 498 R CA -0.454 55.722 56.100 0.127 0.000 0.958 498 R CB 1.167 31.523 30.300 0.093 0.000 1.047 498 R HN 0.293 nan 8.270 nan 0.000 0.468 499 L N 3.264 124.491 121.223 0.006 0.000 2.678 499 L HA 0.238 4.578 4.340 -0.000 0.000 0.250 499 L C -0.140 176.722 176.870 -0.015 0.000 1.455 499 L CA -0.054 54.764 54.840 -0.036 0.000 0.823 499 L CB 0.787 42.739 42.059 -0.179 0.000 1.107 499 L HN 0.553 nan 8.230 nan 0.000 0.514 500 E N 1.449 121.650 120.200 0.002 0.000 2.261 500 E HA 0.211 4.561 4.350 -0.000 0.000 0.308 500 E C -0.484 176.100 176.600 -0.027 0.000 1.400 500 E CA -0.175 56.223 56.400 -0.003 0.000 1.542 500 E CB -0.099 29.605 29.700 0.007 0.000 1.369 500 E HN 0.426 nan 8.360 nan 0.000 0.493 501 N N 0.319 118.985 118.700 -0.057 0.000 2.928 501 N HA 0.398 5.138 4.740 -0.000 0.000 0.247 501 N C -1.325 174.065 175.510 -0.199 0.000 1.141 501 N CA 0.223 53.214 53.050 -0.098 0.000 0.977 501 N CB 1.765 40.212 38.487 -0.066 0.000 1.663 501 N HN 0.263 nan 8.380 nan 0.000 0.509 502 G N 0.770 109.414 108.800 -0.260 0.000 2.885 502 G HA2 0.199 4.158 3.960 -0.000 0.000 0.685 502 G HA3 0.199 4.158 3.960 -0.000 0.000 0.685 502 G C -1.207 173.342 174.900 -0.586 0.000 1.216 502 G CA -0.374 44.473 45.100 -0.423 0.000 0.790 502 G HN 0.777 nan 8.290 nan 0.000 0.631 503 S N 1.388 116.798 115.700 -0.483 0.000 2.488 503 S HA 0.597 5.067 4.470 -0.000 0.000 0.310 503 S C 1.166 175.509 174.600 -0.428 0.000 1.093 503 S CA -0.517 57.398 58.200 -0.474 0.000 1.129 503 S CB 0.171 63.081 63.200 -0.483 0.000 0.989 503 S HN 0.551 nan 8.310 nan 0.000 0.479 504 Y N 3.996 124.271 120.300 -0.041 0.000 2.220 504 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 504 Y C 2.630 178.534 175.900 0.007 0.000 1.129 504 Y CA 1.795 59.924 58.100 0.048 0.000 1.161 504 Y CB -0.713 37.837 38.460 0.150 0.000 0.997 504 Y HN 0.831 nan 8.280 nan 0.000 0.522 505 H N -1.816 117.354 119.070 0.166 0.000 2.319 505 H HA -0.105 4.451 4.556 -0.000 0.000 0.297 505 H C 2.481 177.794 175.328 -0.025 0.000 1.097 505 H CA 1.354 57.439 56.048 0.061 0.000 1.285 505 H CB -1.310 28.511 29.762 0.098 0.000 1.368 505 H HN 0.334 nan 8.280 nan 0.000 0.495 506 G N 1.323 109.818 108.800 -0.509 0.000 2.513 506 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 506 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 506 G C 1.995 176.782 174.900 -0.188 0.000 1.160 506 G CA 2.069 46.963 45.100 -0.344 0.000 0.767 506 G HN 0.402 nan 8.290 nan 0.000 0.571 507 V N 1.522 121.362 119.914 -0.124 0.000 2.295 507 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 507 V C 3.343 179.440 176.094 0.004 0.000 1.049 507 V CA 2.169 64.464 62.300 -0.009 0.000 1.024 507 V CB -1.001 30.930 31.823 0.180 0.000 0.648 507 V HN 0.506 nan 8.190 nan 0.000 0.447 508 A N -0.119 122.600 122.820 -0.169 0.000 1.933 508 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 508 A C 2.409 179.887 177.584 -0.178 0.000 1.175 508 A CA 2.079 53.807 52.037 -0.515 0.000 0.628 508 A CB -0.748 17.559 19.000 -1.154 0.000 0.814 508 A HN 0.581 nan 8.150 nan 0.000 0.444 509 A N -0.082 122.659 122.820 -0.130 0.000 1.902 509 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 509 A C 2.467 180.009 177.584 -0.070 0.000 1.181 509 A CA 1.919 53.908 52.037 -0.079 0.000 0.623 509 A CB -1.009 17.945 19.000 -0.078 0.000 0.818 509 A HN 1.122 nan 8.150 nan 0.000 0.443 510 A N -1.663 121.080 122.820 -0.128 0.000 2.076 510 A HA -0.016 4.303 4.320 -0.000 0.000 0.220 510 A C 1.605 179.031 177.584 -0.263 0.000 1.160 510 A CA 1.363 53.268 52.037 -0.220 0.000 0.653 510 A CB -0.649 18.158 19.000 -0.321 0.000 0.801 510 A HN 0.467 nan 8.150 nan 0.000 0.455 511 F N -1.235 118.711 119.950 -0.006 0.000 2.765 511 F HA 0.362 4.889 4.527 -0.000 0.000 0.302 511 F C 1.815 177.644 175.800 0.048 0.000 1.111 511 F CA 0.432 58.460 58.000 0.047 0.000 1.359 511 F CB 0.274 39.350 39.000 0.126 0.000 1.097 511 F HN 0.354 nan 8.300 nan 0.000 0.577 512 G N -0.035 108.856 108.800 0.152 0.000 2.176 512 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.232 512 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.232 512 G C 0.295 175.253 174.900 0.096 0.000 0.986 512 G CA -0.164 44.999 45.100 0.106 0.000 0.643 512 G HN 0.598 nan 8.290 nan 0.000 0.522 513 A N -0.107 122.767 122.820 0.091 0.000 2.279 513 A HA 0.658 4.978 4.320 -0.000 0.000 0.303 513 A C -0.153 177.432 177.584 0.002 0.000 1.108 513 A CA -0.281 51.801 52.037 0.076 0.000 0.830 513 A CB 0.607 19.661 19.000 0.090 0.000 1.106 513 A HN 0.151 nan 8.150 nan 0.000 0.493 514 D N 0.786 121.205 120.400 0.031 0.000 2.348 514 D HA 0.451 5.091 4.640 -0.000 0.000 0.253 514 D C 0.304 176.601 176.300 -0.005 0.000 1.161 514 D CA 0.754 54.730 54.000 -0.040 0.000 0.876 514 D CB 1.323 42.116 40.800 -0.011 0.000 1.160 514 D HN 0.660 nan 8.370 nan 0.000 0.459 515 G N 1.495 110.225 108.800 -0.116 0.000 2.416 515 G HA2 0.555 4.515 3.960 -0.000 0.000 0.329 515 G HA3 0.555 4.515 3.960 -0.000 0.000 0.329 515 G C -1.307 173.527 174.900 -0.110 0.000 1.173 515 G CA -0.471 44.645 45.100 0.027 0.000 0.929 515 G HN 0.344 nan 8.290 nan 0.000 0.475 516 Y N -0.483 119.846 120.300 0.047 0.000 2.524 516 Y HA 0.487 5.037 4.550 -0.000 0.000 0.347 516 Y C -0.175 175.656 175.900 -0.116 0.000 1.005 516 Y CA -0.935 57.155 58.100 -0.017 0.000 1.025 516 Y CB 2.864 41.326 38.460 0.003 0.000 1.275 516 Y HN 0.761 nan 8.280 nan 0.000 0.460 517 H N 1.743 120.715 119.070 -0.164 0.000 2.572 517 H HA 0.809 5.365 4.556 -0.000 0.000 0.359 517 H C -1.353 173.917 175.328 -0.096 0.000 1.134 517 H CA -0.725 55.140 56.048 -0.305 0.000 1.187 517 H CB 1.568 30.946 29.762 -0.641 0.000 1.597 517 H HN 0.555 nan 8.280 nan 0.000 0.524 518 V N 1.869 121.371 119.914 -0.686 0.000 3.232 518 V HA 0.524 4.644 4.120 -0.000 0.000 0.303 518 V C -1.163 174.667 176.094 -0.440 0.000 1.311 518 V CA -0.302 61.786 62.300 -0.353 0.000 1.061 518 V CB 2.460 34.207 31.823 -0.126 0.000 1.085 518 V HN 1.001 nan 8.190 nan 0.000 0.447 519 D N -0.469 119.824 120.400 -0.180 0.000 2.738 519 D HA 0.156 4.796 4.640 -0.000 0.000 0.345 519 D C 0.046 176.329 176.300 -0.028 0.000 1.465 519 D CA 0.827 54.759 54.000 -0.114 0.000 0.935 519 D CB -0.371 40.403 40.800 -0.042 0.000 1.543 519 D HN 1.222 nan 8.370 nan 0.000 0.399 520 S N -1.223 114.479 115.700 0.003 0.000 2.627 520 S HA 0.557 5.027 4.470 -0.000 0.000 0.283 520 S C 1.130 175.781 174.600 0.085 0.000 1.127 520 S CA -0.228 57.993 58.200 0.035 0.000 0.863 520 S CB 1.853 65.068 63.200 0.025 0.000 1.121 520 S HN -0.184 nan 8.310 nan 0.000 0.479 521 V N 1.322 121.278 119.914 0.069 0.000 2.233 521 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 521 V C 2.738 178.865 176.094 0.055 0.000 1.063 521 V CA 2.655 64.996 62.300 0.069 0.000 1.032 521 V CB -1.148 30.667 31.823 -0.013 0.000 0.645 521 V HN 1.058 nan 8.190 nan 0.000 0.446 522 E N 0.409 120.624 120.200 0.026 0.000 2.047 522 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 522 E C 2.346 178.965 176.600 0.032 0.000 0.987 522 E CA 1.632 58.040 56.400 0.013 0.000 0.799 522 E CB -0.116 29.586 29.700 0.004 0.000 0.752 522 E HN 0.784 nan 8.360 nan 0.000 0.449 523 S N 0.298 116.031 115.700 0.055 0.000 2.368 523 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 523 S C 1.936 176.606 174.600 0.117 0.000 1.029 523 S CA 0.763 59.003 58.200 0.067 0.000 0.988 523 S CB -0.639 62.592 63.200 0.051 0.000 0.838 523 S HN 0.366 nan 8.310 nan 0.000 0.462 524 F N 2.975 122.889 119.950 -0.060 0.000 2.102 524 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 524 F C 2.748 178.504 175.800 -0.073 0.000 1.105 524 F CA 0.968 58.920 58.000 -0.080 0.000 1.239 524 F CB -1.274 37.684 39.000 -0.070 0.000 0.991 524 F HN 0.331 nan 8.300 nan 0.000 0.474 525 S N -0.087 115.545 115.700 -0.113 0.000 2.387 525 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 525 S C 2.230 176.757 174.600 -0.122 0.000 1.035 525 S CA 1.382 59.466 58.200 -0.193 0.000 1.014 525 S CB -0.692 62.450 63.200 -0.097 0.000 0.836 525 S HN 0.512 nan 8.310 nan 0.000 0.466 526 A N 0.746 123.534 122.820 -0.053 0.000 1.935 526 A HA 0.457 4.777 4.320 -0.000 0.000 0.214 526 A C 2.412 179.960 177.584 -0.061 0.000 1.178 526 A CA 1.342 53.363 52.037 -0.026 0.000 0.640 526 A CB -1.183 17.830 19.000 0.022 0.000 0.825 526 A HN 0.679 nan 8.150 nan 0.000 0.447 527 A N -0.233 122.537 122.820 -0.083 0.000 1.877 527 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 527 A C 2.092 179.427 177.584 -0.415 0.000 1.186 527 A CA 1.763 53.630 52.037 -0.283 0.000 0.620 527 A CB -0.648 18.227 19.000 -0.208 0.000 0.822 527 A HN 0.574 nan 8.150 nan 0.000 0.443 528 L N -0.155 120.875 121.223 -0.322 0.000 2.046 528 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 528 L C 2.689 179.330 176.870 -0.381 0.000 1.077 528 L CA 2.187 56.791 54.840 -0.395 0.000 0.747 528 L CB -1.118 40.595 42.059 -0.577 0.000 0.896 528 L HN 0.369 nan 8.230 nan 0.000 0.432 529 A N -1.107 121.541 122.820 -0.287 0.000 1.877 529 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 529 A C 2.145 179.686 177.584 -0.073 0.000 1.186 529 A CA 1.798 53.738 52.037 -0.162 0.000 0.620 529 A CB -0.554 18.425 19.000 -0.035 0.000 0.822 529 A HN 0.630 nan 8.150 nan 0.000 0.443 530 Q N -0.397 119.384 119.800 -0.032 0.000 2.061 530 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 530 Q C 2.417 178.525 176.000 0.179 0.000 0.984 530 Q CA 1.601 57.478 55.803 0.124 0.000 0.846 530 Q CB -0.491 28.369 28.738 0.204 0.000 0.902 530 Q HN 0.669 nan 8.270 nan 0.000 0.421 531 A N 0.822 123.608 122.820 -0.056 0.000 1.892 531 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 531 A C 1.989 179.590 177.584 0.029 0.000 1.188 531 A CA 1.379 53.403 52.037 -0.021 0.000 0.631 531 A CB -0.626 18.266 19.000 -0.180 0.000 0.822 531 A HN 0.259 nan 8.150 nan 0.000 0.447 532 L N -0.600 120.586 121.223 -0.062 0.000 2.083 532 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 532 L C 2.949 179.818 176.870 -0.002 0.000 1.083 532 L CA 1.856 56.663 54.840 -0.054 0.000 0.752 532 L CB -1.547 40.433 42.059 -0.130 0.000 0.899 532 L HN 0.442 nan 8.230 nan 0.000 0.433 533 A N -1.987 120.837 122.820 0.007 0.000 2.070 533 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 533 A C 1.047 178.543 177.584 -0.147 0.000 1.159 533 A CA 0.835 52.830 52.037 -0.071 0.000 0.656 533 A CB -0.588 18.345 19.000 -0.112 0.000 0.800 533 A HN 0.440 nan 8.150 nan 0.000 0.453 534 H N -1.534 117.553 119.070 0.028 0.000 2.567 534 H HA 0.214 4.770 4.556 -0.000 0.000 0.345 534 H C -0.633 174.721 175.328 0.043 0.000 1.169 534 H CA -0.609 55.466 56.048 0.045 0.000 1.227 534 H CB 1.039 30.844 29.762 0.071 0.000 1.607 534 H HN 0.256 nan 8.280 nan 0.000 0.534 535 N N 1.926 120.723 118.700 0.162 0.000 3.209 535 N HA 0.072 4.812 4.740 -0.000 0.000 0.309 535 N C -0.784 174.804 175.510 0.129 0.000 1.384 535 N CA -0.144 52.974 53.050 0.114 0.000 1.173 535 N CB -0.241 38.293 38.487 0.077 0.000 1.460 535 N HN 0.439 nan 8.380 nan 0.000 0.534 536 R N 0.191 120.782 120.500 0.151 0.000 2.771 536 R HA 0.530 4.870 4.340 -0.000 0.000 0.274 536 R C -2.544 173.841 176.300 0.141 0.000 0.987 536 R CA -1.839 54.342 56.100 0.134 0.000 0.908 536 R CB 1.844 32.216 30.300 0.120 0.000 1.213 536 R HN 0.194 nan 8.270 nan 0.000 0.468 537 P HA 0.172 nan 4.420 nan 0.000 0.268 537 P C -1.372 176.057 177.300 0.215 0.000 1.205 537 P CA -0.095 63.122 63.100 0.194 0.000 0.771 537 P CB 1.240 33.081 31.700 0.236 0.000 0.858 538 A N 2.185 125.152 122.820 0.246 0.000 2.515 538 A HA 0.635 4.955 4.320 -0.000 0.000 0.296 538 A C -1.227 176.542 177.584 0.308 0.000 1.094 538 A CA -0.550 51.645 52.037 0.264 0.000 0.718 538 A CB 1.532 20.685 19.000 0.254 0.000 1.307 538 A HN 0.661 nan 8.150 nan 0.000 0.408 539 C N 1.881 121.342 119.300 0.269 0.000 2.482 539 C HA 0.809 5.269 4.460 -0.000 0.000 0.317 539 C C -1.135 174.013 174.990 0.265 0.000 1.197 539 C CA -0.548 58.627 59.018 0.261 0.000 1.432 539 C CB -0.703 27.077 27.740 0.066 0.000 2.062 539 C HN 0.636 nan 8.230 nan 0.000 0.471 540 I N 6.144 126.823 120.570 0.181 0.000 2.410 540 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 540 I C -0.104 176.038 176.117 0.042 0.000 1.009 540 I CA -0.039 61.333 61.300 0.120 0.000 1.111 540 I CB 1.113 39.140 38.000 0.045 0.000 1.262 540 I HN 0.727 nan 8.210 nan 0.000 0.443 541 N N 6.618 125.349 118.700 0.052 0.000 2.485 541 N HA 0.418 5.158 4.740 -0.000 0.000 0.243 541 N C -1.385 174.011 175.510 -0.189 0.000 0.987 541 N CA -0.387 52.698 53.050 0.057 0.000 0.940 541 N CB 1.216 39.912 38.487 0.349 0.000 1.122 541 N HN 0.276 nan 8.380 nan 0.000 0.509 542 V N 2.554 122.315 119.914 -0.255 0.000 2.384 542 V HA 0.461 4.581 4.120 -0.000 0.000 0.287 542 V C 0.330 176.273 176.094 -0.252 0.000 1.020 542 V CA -0.978 61.072 62.300 -0.416 0.000 0.850 542 V CB 0.986 32.404 31.823 -0.675 0.000 0.987 542 V HN 0.744 nan 8.190 nan 0.000 0.436 543 A N 5.118 127.803 122.820 -0.226 0.000 2.409 543 A HA 0.680 5.000 4.320 -0.000 0.000 0.267 543 A C -0.378 177.155 177.584 -0.085 0.000 1.127 543 A CA -0.153 51.843 52.037 -0.070 0.000 0.795 543 A CB 0.568 19.575 19.000 0.011 0.000 1.061 543 A HN 0.688 nan 8.150 nan 0.000 0.502 544 V N 2.093 121.972 119.914 -0.059 0.000 2.789 544 V HA 0.625 4.745 4.120 -0.000 0.000 0.311 544 V C 0.700 176.761 176.094 -0.055 0.000 1.073 544 V CA -0.339 61.915 62.300 -0.078 0.000 0.921 544 V CB 1.880 33.642 31.823 -0.101 0.000 1.009 544 V HN 1.283 nan 8.190 nan 0.000 0.426 545 A N 2.993 125.763 122.820 -0.084 0.000 2.483 545 A HA 0.356 4.676 4.320 -0.000 0.000 0.238 545 A C 0.645 178.197 177.584 -0.052 0.000 1.070 545 A CA 0.293 52.287 52.037 -0.072 0.000 0.770 545 A CB 0.211 19.135 19.000 -0.126 0.000 1.008 545 A HN 0.936 nan 8.150 nan 0.000 0.497 546 L N 0.834 122.067 121.223 0.017 0.000 2.200 546 L HA 0.140 4.480 4.340 -0.000 0.000 0.200 546 L C 1.566 178.551 176.870 0.191 0.000 1.072 546 L CA 1.841 56.746 54.840 0.108 0.000 0.787 546 L CB -0.738 41.394 42.059 0.123 0.000 0.957 546 L HN 0.781 nan 8.230 nan 0.000 0.459 547 D N 0.689 121.138 120.400 0.082 0.000 2.154 547 D HA -0.146 4.494 4.640 -0.000 0.000 0.190 547 D C -1.487 174.861 176.300 0.080 0.000 1.003 547 D CA 1.602 55.623 54.000 0.034 0.000 0.849 547 D CB -1.634 39.167 40.800 0.001 0.000 0.942 547 D HN 0.371 nan 8.370 nan 0.000 0.446 548 P HA 0.021 nan 4.420 nan 0.000 0.262 548 P C -0.226 177.386 177.300 0.520 0.000 1.199 548 P CA 0.277 63.475 63.100 0.163 0.000 0.763 548 P CB 0.215 31.765 31.700 -0.251 0.000 0.790 549 I N 6.670 127.481 120.570 0.401 0.000 2.379 549 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 549 I C -1.517 174.655 176.117 0.093 0.000 1.063 549 I CA -2.171 59.309 61.300 0.300 0.000 1.351 549 I CB 0.486 38.569 38.000 0.138 0.000 1.410 549 I HN 0.198 nan 8.210 nan 0.000 0.505 550 P HA 0.151 nan 4.420 nan 0.000 0.272 550 P C -2.213 174.780 177.300 -0.513 0.000 1.230 550 P CA -1.370 61.038 63.100 -1.154 0.000 0.788 550 P CB 0.057 30.791 31.700 -1.610 0.000 0.949 551 P HA -0.238 nan 4.420 nan 0.000 0.215 551 P C 1.414 178.568 177.300 -0.243 0.000 1.163 551 P CA 1.631 64.580 63.100 -0.252 0.000 0.894 551 P CB -0.043 31.537 31.700 -0.200 0.000 0.791 552 E N 0.027 120.075 120.200 -0.253 0.000 2.103 552 E HA -0.260 4.090 4.350 -0.000 0.000 0.229 552 E C 1.918 178.430 176.600 -0.146 0.000 1.061 552 E CA 1.718 58.002 56.400 -0.193 0.000 0.916 552 E CB -1.096 28.504 29.700 -0.166 0.000 0.806 552 E HN 0.395 nan 8.360 nan 0.000 0.489 553 E N -0.073 120.049 120.200 -0.130 0.000 2.082 553 E HA -0.267 4.083 4.350 -0.000 0.000 0.215 553 E C 2.234 178.806 176.600 -0.046 0.000 1.048 553 E CA 1.438 57.806 56.400 -0.053 0.000 0.869 553 E CB -0.535 29.157 29.700 -0.014 0.000 0.773 553 E HN 0.191 nan 8.360 nan 0.000 0.466 554 L N 1.345 122.529 121.223 -0.066 0.000 2.563 554 L HA -0.139 4.201 4.340 -0.000 0.000 0.230 554 L C 0.817 177.663 176.870 -0.040 0.000 1.162 554 L CA 0.003 54.817 54.840 -0.043 0.000 0.812 554 L CB -0.110 41.923 42.059 -0.044 0.000 0.935 554 L HN 0.080 nan 8.230 nan 0.000 0.451 555 I N 0.000 120.530 120.570 -0.067 0.000 2.984 555 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 555 I CA 0.000 61.278 61.300 -0.036 0.000 1.566 555 I CB 0.000 37.956 38.000 -0.074 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494