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 3hgr_1_A DATA FIRST_RESID 11 DATA SEQUENCE VDKIPLMSPC KMGKFELCHR VVLAPLTRQR SYGYIPQPHA ILHYSQRSTN DATA SEQUENCE GGLLIGEATV ISETGIGYKD VPGIWTKEQV EAWKPIVDAV HAKGGIFFCQ DATA SEQUENCE IWHVGRVSNK DFQPNGEDPI SCTDRGLTPQ IMSNGIDIAH FTRPRRLTTD DATA SEQUENCE EIPQIVNEFR VAARNAIEAG FDGVEIHGAH GYLIDQFMKD QVNDRSDKYG DATA SEQUENCE GSLENRCRFA LEIVEAVANE IGSDRVGIRI SPFAHYNEAG DTNPTALGLY DATA SEQUENCE MVESLNKYDL AYCHVVEPRX XXXXXXXXXT ESLVPMRKAY KGTFIVAGGY DATA SEQUENCE DREDGNRALI EDRADLVAYG RLFISNPDLP KRFELNAPLN KYNRDTFYTS DATA SEQUENCE DPIVGYTDYP FLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 V HA 0.000 nan 4.120 nan 0.000 0.244 11 V C 0.000 176.095 176.094 0.002 0.000 1.182 11 V CA 0.000 62.301 62.300 0.001 0.000 1.235 11 V CB 0.000 31.824 31.823 0.001 0.000 1.184 12 D N 3.957 124.357 120.400 0.001 0.000 2.390 12 D HA 0.520 4.754 4.640 -0.676 0.000 0.249 12 D C 0.192 176.494 176.300 0.002 0.000 1.144 12 D CA 0.272 54.273 54.000 0.001 0.000 0.880 12 D CB 0.882 41.682 40.800 -0.001 0.000 1.182 12 D HN 0.891 nan 8.370 nan 0.000 0.451 13 K N 0.215 120.618 120.400 0.005 0.000 2.436 13 K HA 0.418 4.332 4.320 -0.676 0.000 0.275 13 K C 0.401 177.005 176.600 0.005 0.000 0.999 13 K CA 0.300 56.592 56.287 0.008 0.000 0.980 13 K CB 0.627 33.134 32.500 0.012 0.000 0.919 13 K HN 0.680 nan 8.250 nan 0.000 0.484 14 I N -0.182 120.392 120.570 0.006 0.000 2.892 14 I HA 0.358 4.123 4.170 -0.676 0.000 0.306 14 I C -2.310 173.812 176.117 0.009 0.000 1.078 14 I CA -2.985 58.314 61.300 -0.001 0.000 1.032 14 I CB 1.985 39.975 38.000 -0.017 0.000 1.229 14 I HN 0.270 nan 8.210 nan 0.000 0.435 15 P HA -0.137 nan 4.420 nan 0.000 0.216 15 P C 1.704 179.023 177.300 0.032 0.000 1.157 15 P CA 1.543 64.653 63.100 0.017 0.000 0.880 15 P CB 0.123 31.829 31.700 0.011 0.000 0.791 16 L N -2.241 118.998 121.223 0.026 0.000 2.349 16 L HA -0.126 3.808 4.340 -0.676 0.000 0.220 16 L C 1.954 178.887 176.870 0.106 0.000 1.130 16 L CA 0.927 55.806 54.840 0.064 0.000 0.791 16 L CB -0.503 41.575 42.059 0.032 0.000 0.918 16 L HN 0.060 nan 8.230 nan 0.000 0.444 17 M N -1.624 118.022 119.600 0.077 0.000 2.371 17 M HA 0.128 4.203 4.480 -0.676 0.000 0.246 17 M C 0.781 177.144 176.300 0.104 0.000 1.103 17 M CA 0.235 55.594 55.300 0.097 0.000 1.010 17 M CB -0.121 32.509 32.600 0.049 0.000 1.457 17 M HN -0.035 nan 8.290 nan 0.000 0.486 18 S N 2.160 117.906 115.700 0.077 0.000 2.562 18 S HA 0.241 4.305 4.470 -0.676 0.000 0.281 18 S C -2.176 172.459 174.600 0.058 0.000 1.333 18 S CA -0.799 57.435 58.200 0.058 0.000 1.052 18 S CB 0.223 63.447 63.200 0.039 0.000 0.884 18 S HN 0.124 nan 8.310 nan 0.000 0.506 19 P HA 0.316 nan 4.420 nan 0.000 0.271 19 P C -0.698 176.614 177.300 0.020 0.000 1.244 19 P CA -0.461 62.659 63.100 0.032 0.000 0.793 19 P CB 0.437 32.156 31.700 0.031 0.000 0.984 20 C N -0.370 118.938 119.300 0.013 0.000 3.199 20 C HA 0.663 4.717 4.460 -0.676 0.000 0.392 20 C C -0.768 174.238 174.990 0.027 0.000 1.050 20 C CA -0.355 58.672 59.018 0.014 0.000 1.222 20 C CB 0.152 27.891 27.740 -0.001 0.000 1.595 20 C HN 0.661 nan 8.230 nan 0.000 0.560 21 K N 4.852 125.274 120.400 0.036 0.000 2.234 21 K HA 0.749 4.663 4.320 -0.676 0.000 0.277 21 K C -0.473 176.173 176.600 0.076 0.000 1.038 21 K CA -0.070 56.249 56.287 0.053 0.000 0.888 21 K CB 1.414 33.936 32.500 0.036 0.000 1.091 21 K HN 0.977 nan 8.250 nan 0.000 0.467 22 M N 3.670 123.347 119.600 0.129 0.000 2.016 22 M HA 0.431 4.506 4.480 -0.676 0.000 0.315 22 M C 0.648 177.109 176.300 0.269 0.000 0.930 22 M CA 0.701 56.108 55.300 0.179 0.000 0.899 22 M CB 0.132 32.827 32.600 0.158 0.000 1.401 22 M HN 1.212 nan 8.290 nan 0.000 0.386 23 G N 4.614 113.513 108.800 0.165 0.000 2.536 23 G HA2 -0.367 3.188 3.960 -0.676 0.000 0.280 23 G HA3 -0.367 3.188 3.960 -0.676 0.000 0.280 23 G C 0.130 175.013 174.900 -0.027 0.000 1.152 23 G CA 0.525 45.691 45.100 0.110 0.000 0.970 23 G HN 0.867 nan 8.290 nan 0.000 0.549 24 K N 0.320 120.567 120.400 -0.255 0.000 2.458 24 K HA 0.441 4.355 4.320 -0.676 0.000 0.194 24 K C 0.041 176.292 176.600 -0.582 0.000 1.024 24 K CA 0.203 56.217 56.287 -0.455 0.000 1.108 24 K CB 0.061 32.212 32.500 -0.582 0.000 0.846 24 K HN 0.279 nan 8.250 nan 0.000 0.518 25 F N 1.625 121.615 119.950 0.068 0.000 2.469 25 F HA 0.298 4.426 4.527 -0.666 0.000 0.332 25 F C 0.407 176.222 175.800 0.024 0.000 1.103 25 F CA -1.239 56.794 58.000 0.054 0.000 0.979 25 F CB 1.332 40.376 39.000 0.074 0.000 1.137 25 F HN -0.130 nan 8.300 nan 0.000 0.463 26 E N 4.301 124.610 120.200 0.182 0.000 2.167 26 E HA 0.281 4.226 4.350 -0.676 0.000 0.247 26 E C -0.460 176.184 176.600 0.074 0.000 0.961 26 E CA -0.239 56.218 56.400 0.096 0.000 0.797 26 E CB 0.754 30.490 29.700 0.060 0.000 1.182 26 E HN 0.549 nan 8.360 nan 0.000 0.437 27 L N 0.621 121.871 121.223 0.044 0.000 2.439 27 L HA 0.098 4.033 4.340 -0.676 0.000 0.269 27 L C 1.244 178.087 176.870 -0.044 0.000 1.179 27 L CA -0.447 54.369 54.840 -0.040 0.000 0.828 27 L CB 0.727 42.723 42.059 -0.104 0.000 1.106 27 L HN 0.493 nan 8.230 nan 0.000 0.467 28 C N 0.099 119.352 119.300 -0.078 0.000 2.673 28 C HA 0.148 4.202 4.460 -0.676 0.000 0.264 28 C C 0.513 175.547 174.990 0.073 0.000 1.304 28 C CA -0.124 58.902 59.018 0.013 0.000 1.727 28 C CB -1.417 26.371 27.740 0.080 0.000 1.932 28 C HN 0.958 nan 8.230 nan 0.000 0.563 29 H N -4.021 115.067 119.070 0.029 0.000 2.967 29 H HA 0.528 4.677 4.556 -0.678 0.000 0.318 29 H C -0.134 175.210 175.328 0.025 0.000 1.375 29 H CA -0.816 55.250 56.048 0.030 0.000 1.132 29 H CB 0.374 30.159 29.762 0.038 0.000 1.848 29 H HN -0.290 nan 8.280 nan 0.000 0.524 30 R N 0.377 120.994 120.500 0.195 0.000 2.393 30 R HA 0.319 4.253 4.340 -0.676 0.000 0.244 30 R C -0.484 175.939 176.300 0.206 0.000 0.920 30 R CA -0.005 56.156 56.100 0.101 0.000 1.076 30 R CB 0.488 30.819 30.300 0.051 0.000 1.119 30 R HN 0.386 nan 8.270 nan 0.000 0.524 31 V N 1.753 121.963 119.914 0.493 0.000 2.405 31 V HA 0.161 3.875 4.120 -0.676 0.000 0.264 31 V C 0.086 176.436 176.094 0.427 0.000 1.048 31 V CA -0.436 62.133 62.300 0.448 0.000 0.966 31 V CB 1.134 33.123 31.823 0.278 0.000 1.015 31 V HN -0.116 nan 8.190 nan 0.000 0.477 32 V N 6.176 126.275 119.914 0.310 0.000 2.547 32 V HA 0.401 4.115 4.120 -0.676 0.000 0.299 32 V C -0.100 176.165 176.094 0.285 0.000 1.040 32 V CA -0.809 61.591 62.300 0.167 0.000 0.913 32 V CB 1.850 33.606 31.823 -0.111 0.000 0.992 32 V HN 0.701 nan 8.190 nan 0.000 0.449 33 L N 4.858 126.116 121.223 0.058 0.000 2.283 33 L HA 0.689 4.623 4.340 -0.676 0.000 0.287 33 L C 0.578 177.412 176.870 -0.059 0.000 1.073 33 L CA 0.249 54.944 54.840 -0.243 0.000 0.822 33 L CB 0.223 41.833 42.059 -0.748 0.000 1.186 33 L HN 0.806 nan 8.230 nan 0.000 0.436 34 A N 6.841 129.679 122.820 0.030 0.000 2.366 34 A HA 0.589 4.503 4.320 -0.676 0.000 0.249 34 A C -2.335 175.260 177.584 0.019 0.000 1.084 34 A CA -1.196 50.872 52.037 0.052 0.000 0.794 34 A CB -0.626 18.411 19.000 0.062 0.000 1.034 34 A HN 0.705 nan 8.150 nan 0.000 0.491 35 P HA 0.302 nan 4.420 nan 0.000 0.267 35 P C -1.151 176.134 177.300 -0.025 0.000 1.209 35 P CA 0.595 63.694 63.100 -0.001 0.000 0.763 35 P CB 0.192 31.831 31.700 -0.102 0.000 0.816 36 L N 3.051 124.290 121.223 0.026 0.000 2.404 36 L HA 0.311 4.246 4.340 -0.676 0.000 0.272 36 L C 0.194 177.077 176.870 0.023 0.000 0.980 36 L CA -0.476 54.351 54.840 -0.022 0.000 0.836 36 L CB 1.835 43.856 42.059 -0.063 0.000 1.238 36 L HN 0.156 nan 8.230 nan 0.000 0.408 37 T N 3.280 117.832 114.554 -0.004 0.000 2.752 37 T HA 0.192 4.136 4.350 -0.676 0.000 0.295 37 T C 0.992 175.774 174.700 0.137 0.000 0.923 37 T CA -0.319 61.809 62.100 0.047 0.000 1.112 37 T CB 0.444 69.287 68.868 -0.043 0.000 0.884 37 T HN 0.410 nan 8.240 nan 0.000 0.525 38 R N 2.081 122.646 120.500 0.107 0.000 2.365 38 R HA 0.144 4.078 4.340 -0.676 0.000 0.223 38 R C 0.764 177.114 176.300 0.083 0.000 0.899 38 R CA -0.068 56.064 56.100 0.054 0.000 1.059 38 R CB -0.015 30.253 30.300 -0.053 0.000 1.086 38 R HN 0.743 nan 8.270 nan 0.000 0.522 39 Q N 0.616 120.495 119.800 0.132 0.000 2.453 39 Q HA -0.218 3.716 4.340 -0.676 0.000 0.294 39 Q C -0.094 175.953 176.000 0.079 0.000 1.295 39 Q CA 0.722 56.618 55.803 0.155 0.000 0.853 39 Q CB -1.245 27.641 28.738 0.247 0.000 1.193 39 Q HN 0.303 nan 8.270 nan 0.000 0.461 40 R N -0.553 119.905 120.500 -0.069 0.000 2.577 40 R HA 0.183 4.118 4.340 -0.676 0.000 0.344 40 R C -0.218 175.836 176.300 -0.410 0.000 1.037 40 R CA -0.090 55.890 56.100 -0.199 0.000 1.102 40 R CB 0.984 30.992 30.300 -0.487 0.000 1.313 40 R HN -0.073 nan 8.270 nan 0.000 0.561 41 S N 1.563 117.128 115.700 -0.224 0.000 3.158 41 S HA 0.240 4.304 4.470 -0.676 0.000 0.215 41 S C -0.451 174.059 174.600 -0.150 0.000 1.359 41 S CA -0.606 57.430 58.200 -0.273 0.000 0.974 41 S CB -0.138 62.991 63.200 -0.118 0.000 1.336 41 S HN 0.221 nan 8.310 nan 0.000 0.488 42 Y N 0.881 121.148 120.300 -0.055 0.000 2.895 42 Y HA 0.085 4.231 4.550 -0.673 0.000 0.334 42 Y C 1.694 177.498 175.900 -0.161 0.000 1.261 42 Y CA 0.245 58.284 58.100 -0.101 0.000 1.560 42 Y CB 0.015 38.446 38.460 -0.049 0.000 1.253 42 Y HN 0.764 nan 8.280 nan 0.000 0.582 43 G N 2.443 111.167 108.800 -0.127 0.000 2.168 43 G HA2 -0.385 3.170 3.960 -0.676 0.000 0.257 43 G HA3 -0.385 3.170 3.960 -0.676 0.000 0.257 43 G C -0.215 174.588 174.900 -0.163 0.000 0.997 43 G CA 0.167 45.140 45.100 -0.210 0.000 0.708 43 G HN 0.918 nan 8.290 nan 0.000 0.520 44 Y N -3.052 117.292 120.300 0.073 0.000 3.929 44 Y HA -0.204 3.938 4.550 -0.679 0.000 0.225 44 Y C 0.962 176.813 175.900 -0.082 0.000 1.200 44 Y CA 0.805 58.928 58.100 0.039 0.000 1.791 44 Y CB -2.356 36.163 38.460 0.098 0.000 1.561 44 Y HN 0.572 nan 8.280 nan 0.000 0.657 45 I N 0.779 121.326 120.570 -0.039 0.000 2.465 45 I HA 0.385 4.149 4.170 -0.676 0.000 0.291 45 I C -2.321 173.633 176.117 -0.272 0.000 1.014 45 I CA -2.205 59.004 61.300 -0.151 0.000 1.093 45 I CB 2.329 40.255 38.000 -0.123 0.000 1.267 45 I HN -0.307 nan 8.210 nan 0.000 0.431 46 P HA 0.056 nan 4.420 nan 0.000 0.267 46 P C -1.025 175.995 177.300 -0.468 0.000 1.200 46 P CA -0.103 62.615 63.100 -0.636 0.000 0.772 46 P CB 0.492 31.497 31.700 -1.159 0.000 0.855 47 Q N 3.410 122.898 119.800 -0.519 0.000 2.359 47 Q HA 0.296 4.231 4.340 -0.676 0.000 0.275 47 Q C -1.826 173.869 176.000 -0.508 0.000 1.082 47 Q CA -2.023 53.428 55.803 -0.586 0.000 0.849 47 Q CB 0.211 28.348 28.738 -1.002 0.000 1.377 47 Q HN 0.184 nan 8.270 nan 0.000 0.452 48 P HA -0.196 nan 4.420 nan 0.000 0.216 48 P C 0.751 178.014 177.300 -0.061 0.000 1.150 48 P CA 1.781 64.794 63.100 -0.146 0.000 0.843 48 P CB 0.027 31.699 31.700 -0.048 0.000 0.787 49 H N -1.522 117.590 119.070 0.069 0.000 2.491 49 H HA 0.157 4.306 4.556 -0.679 0.000 0.290 49 H C 1.776 177.272 175.328 0.280 0.000 1.050 49 H CA 0.973 57.122 56.048 0.168 0.000 1.309 49 H CB -1.225 28.654 29.762 0.195 0.000 1.392 49 H HN 0.037 nan 8.280 nan 0.000 0.554 50 A N 1.504 124.447 122.820 0.205 0.000 1.969 50 A HA -0.042 3.873 4.320 -0.676 0.000 0.218 50 A C 2.304 180.093 177.584 0.342 0.000 1.169 50 A CA 1.283 53.546 52.037 0.376 0.000 0.635 50 A CB -0.750 18.413 19.000 0.272 0.000 0.810 50 A HN 0.449 nan 8.150 nan 0.000 0.445 51 I N -0.868 119.813 120.570 0.184 0.000 2.163 51 I HA -0.261 3.504 4.170 -0.676 0.000 0.243 51 I C 2.441 178.635 176.117 0.128 0.000 1.085 51 I CA 1.453 62.840 61.300 0.145 0.000 1.347 51 I CB -0.308 37.734 38.000 0.070 0.000 1.044 51 I HN 0.412 nan 8.210 nan 0.000 0.408 52 L N 0.316 121.611 121.223 0.121 0.000 2.056 52 L HA -0.237 3.697 4.340 -0.676 0.000 0.207 52 L C 2.586 179.476 176.870 0.032 0.000 1.078 52 L CA 1.983 56.875 54.840 0.086 0.000 0.749 52 L CB -0.851 41.273 42.059 0.108 0.000 0.901 52 L HN 0.244 nan 8.230 nan 0.000 0.433 53 H N -1.380 117.599 119.070 -0.151 0.000 2.267 53 H HA -0.250 3.896 4.556 -0.683 0.000 0.297 53 H C 1.943 177.063 175.328 -0.346 0.000 1.080 53 H CA 2.695 58.476 56.048 -0.445 0.000 1.278 53 H CB -0.539 28.632 29.762 -0.986 0.000 1.365 53 H HN 0.431 nan 8.280 nan 0.000 0.489 54 Y N -0.404 119.781 120.300 -0.192 0.000 2.293 54 Y HA -0.149 3.985 4.550 -0.692 0.000 0.291 54 Y C 3.182 178.921 175.900 -0.268 0.000 1.137 54 Y CA 1.328 59.249 58.100 -0.297 0.000 1.202 54 Y CB -0.586 37.757 38.460 -0.196 0.000 0.990 54 Y HN 0.291 nan 8.280 nan 0.000 0.537 55 S N -0.176 115.519 115.700 -0.009 0.000 2.368 55 S HA -0.216 3.849 4.470 -0.676 0.000 0.224 55 S C 1.852 176.457 174.600 0.010 0.000 1.029 55 S CA 1.308 59.502 58.200 -0.010 0.000 0.988 55 S CB -0.212 63.000 63.200 0.020 0.000 0.838 55 S HN 0.557 nan 8.310 nan 0.000 0.462 56 Q N -0.152 119.655 119.800 0.013 0.000 2.291 56 Q HA 0.011 3.946 4.340 -0.676 0.000 0.206 56 Q C 1.674 177.719 176.000 0.075 0.000 0.976 56 Q CA 0.943 56.846 55.803 0.168 0.000 0.875 56 Q CB -0.058 28.749 28.738 0.115 0.000 0.927 56 Q HN 0.494 nan 8.270 nan 0.000 0.450 57 R N -0.381 120.060 120.500 -0.098 0.000 2.432 57 R HA 0.201 4.135 4.340 -0.676 0.000 0.260 57 R C -0.118 176.173 176.300 -0.015 0.000 0.935 57 R CA -0.173 55.888 56.100 -0.065 0.000 1.080 57 R CB 0.961 31.052 30.300 -0.348 0.000 1.155 57 R HN -0.088 nan 8.270 nan 0.000 0.531 58 S N 1.179 116.869 115.700 -0.017 0.000 2.513 58 S HA 0.259 4.323 4.470 -0.676 0.000 0.276 58 S C 0.248 174.888 174.600 0.066 0.000 1.254 58 S CA -0.415 57.780 58.200 -0.009 0.000 1.053 58 S CB 1.488 64.657 63.200 -0.051 0.000 0.958 58 S HN 0.254 nan 8.310 nan 0.000 0.491 59 T N -0.041 114.576 114.554 0.104 0.000 2.906 59 T HA 0.477 4.421 4.350 -0.676 0.000 0.295 59 T C -0.472 174.301 174.700 0.122 0.000 1.075 59 T CA -1.125 61.056 62.100 0.134 0.000 1.005 59 T CB 0.892 69.889 68.868 0.215 0.000 1.136 59 T HN 0.398 nan 8.240 nan 0.000 0.498 60 N N 0.335 119.100 118.700 0.108 0.000 2.452 60 N HA 0.397 4.731 4.740 -0.676 0.000 0.266 60 N C 1.408 176.971 175.510 0.089 0.000 1.209 60 N CA 1.473 54.575 53.050 0.087 0.000 0.929 60 N CB -0.332 38.198 38.487 0.072 0.000 1.063 60 N HN 1.290 nan 8.380 nan 0.000 0.472 61 G N 1.972 110.804 108.800 0.053 0.000 2.153 61 G HA2 -0.176 3.378 3.960 -0.676 0.000 0.252 61 G HA3 -0.176 3.378 3.960 -0.676 0.000 0.252 61 G C 0.325 175.148 174.900 -0.129 0.000 0.994 61 G CA 0.082 45.183 45.100 0.002 0.000 0.698 61 G HN 0.893 nan 8.290 nan 0.000 0.521 62 G N -0.884 107.866 108.800 -0.083 0.000 2.371 62 G HA2 0.715 4.269 3.960 -0.676 0.000 0.326 62 G HA3 0.715 4.269 3.960 -0.676 0.000 0.326 62 G C -0.446 174.384 174.900 -0.115 0.000 1.127 62 G CA -0.599 44.382 45.100 -0.199 0.000 0.885 62 G HN 0.940 nan 8.290 nan 0.000 0.477 63 L N 1.681 122.808 121.223 -0.161 0.000 2.289 63 L HA 0.716 4.651 4.340 -0.676 0.000 0.285 63 L C -1.047 175.770 176.870 -0.089 0.000 1.049 63 L CA -0.655 54.092 54.840 -0.156 0.000 0.804 63 L CB 1.303 43.193 42.059 -0.282 0.000 1.195 63 L HN 0.266 nan 8.230 nan 0.000 0.428 64 L N 6.389 127.594 121.223 -0.030 0.000 2.362 64 L HA 0.535 4.470 4.340 -0.676 0.000 0.275 64 L C -0.586 176.437 176.870 0.255 0.000 0.998 64 L CA -0.056 54.794 54.840 0.017 0.000 0.820 64 L CB 1.800 43.774 42.059 -0.142 0.000 1.270 64 L HN 0.479 nan 8.230 nan 0.000 0.415 65 I N 2.609 123.292 120.570 0.188 0.000 2.330 65 I HA 0.440 4.204 4.170 -0.676 0.000 0.289 65 I C 0.970 177.273 176.117 0.309 0.000 1.001 65 I CA -0.476 60.959 61.300 0.225 0.000 1.193 65 I CB 1.463 39.532 38.000 0.114 0.000 1.345 65 I HN 0.702 nan 8.210 nan 0.000 0.461 66 G N 5.030 114.028 108.800 0.330 0.000 2.667 66 G HA2 0.137 3.691 3.960 -0.676 0.000 0.250 66 G HA3 0.137 3.691 3.960 -0.676 0.000 0.250 66 G C 0.048 175.098 174.900 0.251 0.000 1.212 66 G CA -0.495 44.827 45.100 0.371 0.000 0.874 66 G HN 0.779 nan 8.290 nan 0.000 0.561 67 E N -0.120 120.331 120.200 0.419 0.000 2.415 67 E HA 0.344 4.288 4.350 -0.676 0.000 0.262 67 E C 0.483 177.153 176.600 0.117 0.000 1.038 67 E CA -0.194 56.355 56.400 0.248 0.000 0.921 67 E CB 0.506 30.411 29.700 0.341 0.000 0.950 67 E HN 0.565 nan 8.360 nan 0.000 0.438 68 A N 3.365 126.140 122.820 -0.075 0.000 2.583 68 A HA 0.034 3.948 4.320 -0.676 0.000 0.249 68 A C -0.086 177.631 177.584 0.221 0.000 1.035 68 A CA 0.428 52.371 52.037 -0.157 0.000 0.777 68 A CB -0.288 18.090 19.000 -1.037 0.000 0.942 68 A HN 0.575 nan 8.150 nan 0.000 0.516 69 T N 3.654 118.375 114.554 0.279 0.000 2.791 69 T HA 0.382 4.326 4.350 -0.676 0.000 0.288 69 T C 0.070 174.972 174.700 0.337 0.000 0.999 69 T CA -0.442 61.862 62.100 0.340 0.000 0.952 69 T CB 0.980 69.931 68.868 0.139 0.000 0.938 69 T HN 0.483 nan 8.240 nan 0.000 0.444 70 V N 5.577 125.697 119.914 0.344 0.000 2.557 70 V HA -0.006 3.708 4.120 -0.676 0.000 0.301 70 V C 1.847 178.027 176.094 0.142 0.000 1.026 70 V CA 0.422 62.785 62.300 0.106 0.000 1.137 70 V CB -0.239 31.593 31.823 0.014 0.000 0.917 70 V HN 0.897 nan 8.190 nan 0.000 0.484 71 I N 2.560 123.079 120.570 -0.085 0.000 2.716 71 I HA 0.177 3.941 4.170 -0.676 0.000 0.259 71 I C 0.908 176.932 176.117 -0.155 0.000 1.172 71 I CA 0.741 61.985 61.300 -0.094 0.000 1.478 71 I CB 0.202 37.993 38.000 -0.348 0.000 1.104 71 I HN 0.682 nan 8.210 nan 0.000 0.439 72 S N -0.509 114.884 115.700 -0.513 0.000 2.615 72 S HA 0.321 4.385 4.470 -0.676 0.000 0.269 72 S C 0.236 173.986 174.600 -1.417 0.000 1.161 72 S CA -0.708 56.886 58.200 -1.010 0.000 0.817 72 S CB 1.513 64.392 63.200 -0.536 0.000 1.131 72 S HN 0.250 nan 8.310 nan 0.000 0.467 73 E N 0.851 120.135 120.200 -1.527 0.000 2.114 73 E HA -0.176 3.768 4.350 -0.676 0.000 0.199 73 E C 1.771 178.012 176.600 -0.598 0.000 1.008 73 E CA 2.030 57.845 56.400 -0.975 0.000 0.810 73 E CB -0.534 28.855 29.700 -0.519 0.000 0.739 73 E HN 0.881 nan 8.360 nan 0.000 0.456 74 T N -2.261 112.020 114.554 -0.456 0.000 3.113 74 T HA 0.009 3.953 4.350 -0.676 0.000 0.263 74 T C 1.652 176.041 174.700 -0.518 0.000 1.143 74 T CA 0.726 62.655 62.100 -0.284 0.000 1.090 74 T CB 0.107 68.939 68.868 -0.059 0.000 0.922 74 T HN 0.172 nan 8.240 nan 0.000 0.521 75 G N 0.887 109.127 108.800 -0.933 0.000 3.233 75 G HA2 0.391 3.946 3.960 -0.676 0.000 0.227 75 G HA3 0.391 3.946 3.960 -0.676 0.000 0.227 75 G C 0.268 174.604 174.900 -0.940 0.000 1.175 75 G CA -0.544 43.686 45.100 -1.449 0.000 0.781 75 G HN 0.566 nan 8.290 nan 0.000 0.542 76 I N 0.892 121.053 120.570 -0.681 0.000 2.342 76 I HA 0.427 4.191 4.170 -0.676 0.000 0.291 76 I C 1.134 176.900 176.117 -0.585 0.000 1.010 76 I CA -0.208 60.727 61.300 -0.608 0.000 1.308 76 I CB 1.882 39.541 38.000 -0.569 0.000 1.400 76 I HN 0.035 nan 8.210 nan 0.000 0.488 77 G N 5.556 113.958 108.800 -0.662 0.000 3.815 77 G HA2 0.271 3.826 3.960 -0.676 0.000 0.265 77 G HA3 0.271 3.826 3.960 -0.676 0.000 0.265 77 G C -0.364 173.794 174.900 -1.237 0.000 1.026 77 G CA 0.122 44.758 45.100 -0.773 0.000 0.868 77 G HN 0.487 nan 8.290 nan 0.000 0.476 78 Y N -0.053 119.707 120.300 -0.901 0.000 2.562 78 Y HA 0.515 4.672 4.550 -0.655 0.000 0.345 78 Y C 0.189 175.995 175.900 -0.156 0.000 1.045 78 Y CA -1.184 56.687 58.100 -0.381 0.000 1.028 78 Y CB 1.681 40.162 38.460 0.035 0.000 1.297 78 Y HN -0.260 nan 8.280 nan 0.000 0.463 79 K N 1.355 121.959 120.400 0.340 0.000 2.185 79 K HA 0.093 4.007 4.320 -0.676 0.000 0.271 79 K C -0.396 176.372 176.600 0.279 0.000 1.013 79 K CA -0.039 56.477 56.287 0.381 0.000 0.943 79 K CB 0.310 33.005 32.500 0.326 0.000 0.998 79 K HN 0.767 nan 8.250 nan 0.000 0.468 80 D N -0.013 120.448 120.400 0.101 0.000 2.882 80 D HA -0.162 4.073 4.640 -0.676 0.000 0.229 80 D C 0.083 176.494 176.300 0.184 0.000 1.167 80 D CA 0.931 54.979 54.000 0.080 0.000 0.759 80 D CB -1.564 39.350 40.800 0.190 0.000 1.088 80 D HN 0.296 nan 8.370 nan 0.000 0.425 81 V N -2.406 117.719 119.914 0.352 0.000 2.686 81 V HA 0.601 4.316 4.120 -0.676 0.000 0.295 81 V C -1.974 174.354 176.094 0.390 0.000 1.057 81 V CA -1.495 61.021 62.300 0.360 0.000 1.012 81 V CB 1.429 33.511 31.823 0.431 0.000 1.006 81 V HN -0.176 nan 8.190 nan 0.000 0.477 82 P HA 0.440 nan 4.420 nan 0.000 0.278 82 P C -0.046 177.496 177.300 0.404 0.000 1.238 82 P CA 0.279 63.560 63.100 0.302 0.000 0.794 82 P CB 1.622 33.470 31.700 0.246 0.000 0.955 83 G N 0.913 109.904 108.800 0.318 0.000 2.735 83 G HA2 0.611 4.166 3.960 -0.676 0.000 0.301 83 G HA3 0.611 4.166 3.960 -0.676 0.000 0.301 83 G C -0.746 174.328 174.900 0.290 0.000 1.279 83 G CA -0.824 44.481 45.100 0.342 0.000 1.019 83 G HN 0.553 nan 8.290 nan 0.000 0.497 84 I N -0.135 120.615 120.570 0.300 0.000 3.297 84 I HA 0.239 4.004 4.170 -0.676 0.000 0.321 84 I C 0.311 176.539 176.117 0.185 0.000 1.503 84 I CA -0.579 60.846 61.300 0.209 0.000 0.929 84 I CB 0.114 38.194 38.000 0.133 0.000 1.531 84 I HN 0.712 nan 8.210 nan 0.000 0.599 85 W N 1.330 122.655 121.300 0.043 0.000 3.220 85 W HA 0.421 4.669 4.660 -0.686 0.000 0.328 85 W C 0.397 176.932 176.519 0.027 0.000 1.205 85 W CA 0.309 57.660 57.345 0.010 0.000 1.773 85 W CB -0.429 29.015 29.460 -0.027 0.000 1.086 85 W HN 0.152 nan 8.180 nan 0.000 0.622 86 T N -2.027 112.328 114.554 -0.332 0.000 2.908 86 T HA 0.388 4.333 4.350 -0.676 0.000 0.290 86 T C 0.686 175.320 174.700 -0.111 0.000 1.034 86 T CA -0.677 61.284 62.100 -0.231 0.000 1.010 86 T CB 2.341 70.981 68.868 -0.379 0.000 1.068 86 T HN -0.192 nan 8.240 nan 0.000 0.481 87 K N 0.922 121.294 120.400 -0.047 0.000 2.113 87 K HA -0.114 3.801 4.320 -0.676 0.000 0.208 87 K C 2.053 178.637 176.600 -0.027 0.000 1.047 87 K CA 1.849 58.127 56.287 -0.015 0.000 0.928 87 K CB -0.337 32.162 32.500 -0.003 0.000 0.716 87 K HN 0.877 nan 8.250 nan 0.000 0.446 88 E N 0.490 120.652 120.200 -0.062 0.000 2.077 88 E HA -0.256 3.688 4.350 -0.676 0.000 0.193 88 E C 1.806 178.361 176.600 -0.076 0.000 0.989 88 E CA 1.338 57.697 56.400 -0.068 0.000 0.800 88 E CB 0.080 29.729 29.700 -0.086 0.000 0.746 88 E HN 0.397 nan 8.360 nan 0.000 0.452 89 Q N -0.194 119.544 119.800 -0.104 0.000 2.083 89 Q HA -0.106 3.829 4.340 -0.676 0.000 0.198 89 Q C 2.366 178.437 176.000 0.119 0.000 0.969 89 Q CA 1.433 57.200 55.803 -0.061 0.000 0.838 89 Q CB 0.124 28.799 28.738 -0.106 0.000 0.900 89 Q HN 0.188 nan 8.270 nan 0.000 0.436 90 V N 1.600 121.593 119.914 0.132 0.000 2.287 90 V HA -0.256 3.458 4.120 -0.676 0.000 0.248 90 V C 2.115 178.305 176.094 0.160 0.000 1.053 90 V CA 1.825 64.245 62.300 0.199 0.000 1.027 90 V CB -0.487 31.401 31.823 0.107 0.000 0.646 90 V HN 0.340 nan 8.190 nan 0.000 0.447 91 E N 0.192 120.434 120.200 0.071 0.000 2.204 91 E HA -0.147 3.798 4.350 -0.676 0.000 0.195 91 E C 2.292 178.905 176.600 0.022 0.000 0.990 91 E CA 1.378 57.802 56.400 0.041 0.000 0.821 91 E CB -0.451 29.256 29.700 0.012 0.000 0.750 91 E HN 0.602 nan 8.360 nan 0.000 0.477 92 A N -0.088 122.722 122.820 -0.016 0.000 1.969 92 A HA -0.124 3.791 4.320 -0.676 0.000 0.218 92 A C 1.963 179.485 177.584 -0.105 0.000 1.169 92 A CA 0.764 52.736 52.037 -0.109 0.000 0.635 92 A CB -0.903 17.966 19.000 -0.219 0.000 0.810 92 A HN 0.291 nan 8.150 nan 0.000 0.445 93 W N 0.391 121.679 121.300 -0.021 0.000 2.436 93 W HA -0.037 4.218 4.660 -0.675 0.000 0.284 93 W C 2.220 178.665 176.519 -0.124 0.000 1.225 93 W CA 1.155 58.475 57.345 -0.040 0.000 1.271 93 W CB 0.082 29.563 29.460 0.035 0.000 1.114 93 W HN 0.235 nan 8.180 nan 0.000 0.559 94 K N -0.242 120.235 120.400 0.128 0.000 2.034 94 K HA -0.228 3.686 4.320 -0.676 0.000 0.214 94 K C -0.597 176.007 176.600 0.006 0.000 1.051 94 K CA 1.916 58.222 56.287 0.032 0.000 0.931 94 K CB -1.830 30.691 32.500 0.034 0.000 0.715 94 K HN 0.108 nan 8.250 nan 0.000 0.446 95 P HA -0.121 nan 4.420 nan 0.000 0.218 95 P C 1.228 178.533 177.300 0.009 0.000 1.149 95 P CA 1.162 64.265 63.100 0.005 0.000 0.817 95 P CB -0.001 31.697 31.700 -0.003 0.000 0.785 96 I N -1.380 119.212 120.570 0.036 0.000 2.202 96 I HA -0.187 3.577 4.170 -0.676 0.000 0.242 96 I C 2.173 178.299 176.117 0.014 0.000 1.091 96 I CA 1.225 62.576 61.300 0.086 0.000 1.368 96 I CB -0.878 37.248 38.000 0.210 0.000 1.058 96 I HN -0.189 nan 8.210 nan 0.000 0.410 97 V N 0.975 120.853 119.914 -0.061 0.000 2.343 97 V HA -0.287 3.427 4.120 -0.676 0.000 0.247 97 V C 2.066 177.974 176.094 -0.309 0.000 1.051 97 V CA 1.987 64.129 62.300 -0.264 0.000 1.036 97 V CB -0.705 30.846 31.823 -0.454 0.000 0.654 97 V HN 0.412 nan 8.190 nan 0.000 0.451 98 D N 0.473 120.802 120.400 -0.118 0.000 2.117 98 D HA -0.108 4.126 4.640 -0.676 0.000 0.197 98 D C 2.242 178.528 176.300 -0.024 0.000 0.987 98 D CA 1.601 55.585 54.000 -0.027 0.000 0.829 98 D CB -0.322 40.487 40.800 0.016 0.000 0.961 98 D HN 0.453 nan 8.370 nan 0.000 0.460 99 A N 0.785 123.582 122.820 -0.039 0.000 1.902 99 A HA -0.132 3.782 4.320 -0.676 0.000 0.217 99 A C 2.556 180.106 177.584 -0.057 0.000 1.181 99 A CA 1.187 53.210 52.037 -0.024 0.000 0.623 99 A CB -0.757 18.241 19.000 -0.003 0.000 0.818 99 A HN 0.138 nan 8.150 nan 0.000 0.443 100 V N -0.236 119.584 119.914 -0.156 0.000 2.295 100 V HA -0.259 3.455 4.120 -0.676 0.000 0.246 100 V C 2.474 178.529 176.094 -0.066 0.000 1.049 100 V CA 2.219 64.387 62.300 -0.221 0.000 1.024 100 V CB -1.079 30.429 31.823 -0.525 0.000 0.648 100 V HN 0.653 nan 8.190 nan 0.000 0.447 101 H N 0.403 119.460 119.070 -0.021 0.000 2.421 101 H HA -0.005 4.145 4.556 -0.676 0.000 0.298 101 H C 2.324 177.657 175.328 0.009 0.000 1.087 101 H CA 1.301 57.356 56.048 0.011 0.000 1.330 101 H CB -0.726 29.052 29.762 0.026 0.000 1.388 101 H HN 0.445 nan 8.280 nan 0.000 0.526 102 A N 0.834 123.725 122.820 0.119 0.000 2.131 102 A HA -0.156 3.758 4.320 -0.676 0.000 0.220 102 A C 1.934 179.549 177.584 0.052 0.000 1.158 102 A CA 1.409 53.487 52.037 0.069 0.000 0.665 102 A CB -0.191 18.833 19.000 0.040 0.000 0.795 102 A HN 0.330 nan 8.150 nan 0.000 0.460 103 K N -1.792 118.639 120.400 0.051 0.000 2.387 103 K HA 0.294 4.208 4.320 -0.676 0.000 0.203 103 K C 0.734 177.370 176.600 0.060 0.000 1.030 103 K CA 0.360 56.672 56.287 0.043 0.000 1.099 103 K CB 0.354 32.871 32.500 0.028 0.000 0.863 103 K HN 0.561 nan 8.250 nan 0.000 0.529 104 G N 1.590 110.440 108.800 0.084 0.000 2.198 104 G HA2 -0.235 3.319 3.960 -0.676 0.000 0.257 104 G HA3 -0.235 3.319 3.960 -0.676 0.000 0.257 104 G C 0.239 175.199 174.900 0.100 0.000 1.042 104 G CA 0.006 45.160 45.100 0.091 0.000 0.791 104 G HN 0.440 nan 8.290 nan 0.000 0.502 105 G N -1.041 107.826 108.800 0.112 0.000 2.451 105 G HA2 0.646 4.200 3.960 -0.676 0.000 0.303 105 G HA3 0.646 4.200 3.960 -0.676 0.000 0.303 105 G C -0.072 174.922 174.900 0.156 0.000 1.166 105 G CA -0.915 44.231 45.100 0.077 0.000 0.884 105 G HN 0.342 nan 8.290 nan 0.000 0.514 106 I N 0.916 121.540 120.570 0.091 0.000 2.336 106 I HA 0.347 4.111 4.170 -0.676 0.000 0.292 106 I C -0.762 175.491 176.117 0.226 0.000 0.991 106 I CA -0.690 60.683 61.300 0.122 0.000 1.227 106 I CB 1.043 38.974 38.000 -0.114 0.000 1.366 106 I HN 0.367 nan 8.210 nan 0.000 0.466 107 F N 6.282 126.346 119.950 0.190 0.000 2.449 107 F HA 0.489 4.606 4.527 -0.683 0.000 0.342 107 F C -0.967 175.124 175.800 0.484 0.000 1.127 107 F CA -0.726 57.405 58.000 0.218 0.000 0.975 107 F CB 1.419 40.430 39.000 0.018 0.000 1.146 107 F HN 0.260 nan 8.300 nan 0.000 0.444 108 F N 4.817 124.856 119.950 0.147 0.000 2.469 108 F HA 0.365 4.471 4.527 -0.703 0.000 0.332 108 F C -0.117 175.389 175.800 -0.489 0.000 1.103 108 F CA -1.023 56.904 58.000 -0.121 0.000 0.979 108 F CB 1.506 40.493 39.000 -0.021 0.000 1.137 108 F HN 0.336 nan 8.300 nan 0.000 0.463 109 C N 4.856 123.645 119.300 -0.851 0.000 2.307 109 C HA 0.274 4.329 4.460 -0.676 0.000 0.340 109 C C 0.064 174.693 174.990 -0.603 0.000 1.275 109 C CA -0.438 57.802 59.018 -1.296 0.000 1.811 109 C CB 0.252 26.556 27.740 -2.393 0.000 2.372 109 C HN 0.822 nan 8.230 nan 0.000 0.531 110 Q N 5.827 125.408 119.800 -0.365 0.000 2.307 110 Q HA 0.448 4.382 4.340 -0.676 0.000 0.259 110 Q C -0.242 175.704 176.000 -0.089 0.000 0.998 110 Q CA -0.189 55.519 55.803 -0.159 0.000 0.923 110 Q CB 0.607 29.282 28.738 -0.105 0.000 1.196 110 Q HN 0.863 nan 8.270 nan 0.000 0.416 111 I N 1.522 122.088 120.570 -0.006 0.000 2.353 111 I HA 0.634 4.398 4.170 -0.676 0.000 0.293 111 I C -0.913 175.434 176.117 0.383 0.000 0.992 111 I CA -0.757 60.613 61.300 0.118 0.000 1.268 111 I CB 0.649 38.696 38.000 0.078 0.000 1.387 111 I HN 0.634 nan 8.210 nan 0.000 0.478 112 W N 7.098 128.448 121.300 0.084 0.000 3.031 112 W HA 0.573 4.923 4.660 -0.516 0.000 0.337 112 W C -1.940 174.566 176.519 -0.021 0.000 1.187 112 W CA -0.585 56.815 57.345 0.091 0.000 1.166 112 W CB 1.287 30.725 29.460 -0.036 0.000 1.437 112 W HN 0.644 nan 8.180 nan 0.000 0.551 113 H N 4.199 123.181 119.070 -0.146 0.000 3.096 113 H HA 0.234 4.381 4.556 -0.682 0.000 0.335 113 H C 0.613 175.725 175.328 -0.360 0.000 0.990 113 H CA 0.195 56.015 56.048 -0.379 0.000 1.393 113 H CB 2.016 31.680 29.762 -0.163 0.000 1.742 113 H HN 0.515 nan 8.280 nan 0.000 0.501 114 V N 2.791 122.327 119.914 -0.630 0.000 2.970 114 V HA 0.169 3.884 4.120 -0.676 0.000 0.260 114 V C 1.454 177.692 176.094 0.240 0.000 1.100 114 V CA 1.365 63.597 62.300 -0.114 0.000 1.122 114 V CB -0.966 30.701 31.823 -0.260 0.000 0.721 114 V HN 0.980 nan 8.190 nan 0.000 0.483 115 G N 2.447 111.446 108.800 0.332 0.000 2.622 115 G HA2 -0.468 3.086 3.960 -0.676 0.000 0.307 115 G HA3 -0.468 3.086 3.960 -0.676 0.000 0.307 115 G C 1.030 176.003 174.900 0.122 0.000 1.226 115 G CA 1.496 46.754 45.100 0.262 0.000 0.997 115 G HN 1.002 nan 8.290 nan 0.000 0.551 116 R N 0.019 120.556 120.500 0.062 0.000 2.285 116 R HA 0.210 4.144 4.340 -0.676 0.000 0.213 116 R C 1.050 177.360 176.300 0.016 0.000 1.068 116 R CA 1.279 57.388 56.100 0.015 0.000 1.004 116 R CB -0.289 29.981 30.300 -0.049 0.000 0.873 116 R HN 0.459 nan 8.270 nan 0.000 0.467 117 V N 1.737 121.680 119.914 0.050 0.000 2.055 117 V HA 0.149 3.863 4.120 -0.676 0.000 0.248 117 V C 0.044 176.245 176.094 0.179 0.000 1.476 117 V CA 0.077 62.408 62.300 0.052 0.000 1.417 117 V CB -0.310 31.626 31.823 0.189 0.000 1.465 117 V HN 0.396 nan 8.190 nan 0.000 0.502 118 S N 2.443 118.313 115.700 0.283 0.000 2.703 118 S HA 0.508 4.572 4.470 -0.676 0.000 0.273 118 S C -1.584 173.206 174.600 0.316 0.000 1.178 118 S CA -0.741 57.601 58.200 0.237 0.000 0.838 118 S CB 1.997 65.241 63.200 0.073 0.000 1.178 118 S HN 0.602 nan 8.310 nan 0.000 0.494 119 N N 0.475 119.353 118.700 0.297 0.000 2.284 119 N HA 0.326 4.660 4.740 -0.676 0.000 0.289 119 N C 0.389 175.959 175.510 0.099 0.000 1.179 119 N CA -0.453 52.686 53.050 0.148 0.000 0.774 119 N CB 1.837 40.336 38.487 0.021 0.000 1.548 119 N HN 0.783 nan 8.380 nan 0.000 0.473 120 K N 0.744 121.161 120.400 0.029 0.000 2.360 120 K HA -0.067 3.847 4.320 -0.676 0.000 0.201 120 K C 0.055 176.639 176.600 -0.027 0.000 1.046 120 K CA 1.204 57.496 56.287 0.008 0.000 0.945 120 K CB 0.098 32.593 32.500 -0.007 0.000 0.750 120 K HN 0.361 nan 8.250 nan 0.000 0.464 121 D N 0.292 120.626 120.400 -0.110 0.000 2.310 121 D HA -0.079 4.156 4.640 -0.676 0.000 0.212 121 D C 1.007 177.196 176.300 -0.186 0.000 0.965 121 D CA 0.824 54.706 54.000 -0.197 0.000 0.879 121 D CB -0.037 40.555 40.800 -0.347 0.000 0.921 121 D HN 0.263 nan 8.370 nan 0.000 0.510 122 F N 0.582 120.524 119.950 -0.014 0.000 2.714 122 F HA 0.126 4.254 4.527 -0.665 0.000 0.294 122 F C 1.278 177.044 175.800 -0.057 0.000 1.120 122 F CA 0.065 58.057 58.000 -0.013 0.000 1.398 122 F CB 0.134 39.111 39.000 -0.039 0.000 1.120 122 F HN -0.276 nan 8.300 nan 0.000 0.589 123 Q N 1.181 121.049 119.800 0.113 0.000 2.259 123 Q HA 0.266 4.200 4.340 -0.676 0.000 0.246 123 Q C -2.316 173.689 176.000 0.008 0.000 0.920 123 Q CA -2.242 53.575 55.803 0.023 0.000 0.895 123 Q CB 0.243 28.988 28.738 0.011 0.000 1.220 123 Q HN -0.021 nan 8.270 nan 0.000 0.439 124 P HA 0.015 nan 4.420 nan 0.000 0.267 124 P C -0.448 176.850 177.300 -0.004 0.000 1.205 124 P CA 0.085 63.180 63.100 -0.008 0.000 0.765 124 P CB 0.364 32.044 31.700 -0.033 0.000 0.828 125 N N 2.443 121.146 118.700 0.006 0.000 2.708 125 N HA -0.211 4.123 4.740 -0.676 0.000 0.249 125 N C 0.863 176.370 175.510 -0.004 0.000 1.097 125 N CA 1.487 54.538 53.050 0.001 0.000 0.710 125 N CB -1.875 36.611 38.487 -0.001 0.000 1.032 125 N HN 0.912 nan 8.380 nan 0.000 0.551 126 G N -0.469 108.328 108.800 -0.005 0.000 2.233 126 G HA2 -0.362 3.192 3.960 -0.676 0.000 0.270 126 G HA3 -0.362 3.192 3.960 -0.676 0.000 0.270 126 G C 0.123 175.017 174.900 -0.009 0.000 1.011 126 G CA 1.055 46.148 45.100 -0.011 0.000 0.762 126 G HN 0.674 nan 8.290 nan 0.000 0.511 127 E N 0.392 120.588 120.200 -0.008 0.000 2.392 127 E HA 0.310 4.254 4.350 -0.676 0.000 0.256 127 E C 0.182 176.781 176.600 -0.002 0.000 1.145 127 E CA -0.337 56.058 56.400 -0.008 0.000 0.929 127 E CB 0.524 30.215 29.700 -0.014 0.000 0.998 127 E HN 0.322 nan 8.360 nan 0.000 0.442 128 D N 1.601 122.000 120.400 -0.002 0.000 2.313 128 D HA 0.173 4.408 4.640 -0.676 0.000 0.247 128 D C -2.190 174.116 176.300 0.008 0.000 1.094 128 D CA -1.299 52.705 54.000 0.006 0.000 0.925 128 D CB 0.587 41.388 40.800 0.001 0.000 1.188 128 D HN 0.111 nan 8.370 nan 0.000 0.430 129 P HA 0.163 nan 4.420 nan 0.000 0.272 129 P C -0.345 176.964 177.300 0.016 0.000 1.240 129 P CA -0.234 62.883 63.100 0.028 0.000 0.791 129 P CB 0.542 32.272 31.700 0.050 0.000 0.978 130 I N -2.228 118.360 120.570 0.031 0.000 2.525 130 I HA 0.823 4.587 4.170 -0.676 0.000 0.301 130 I C -0.062 176.042 176.117 -0.021 0.000 0.992 130 I CA -0.490 60.806 61.300 -0.006 0.000 1.162 130 I CB 2.104 40.092 38.000 -0.021 0.000 1.332 130 I HN 0.217 nan 8.210 nan 0.000 0.458 131 S N 1.901 117.550 115.700 -0.085 0.000 2.661 131 S HA 0.291 4.355 4.470 -0.676 0.000 0.268 131 S C 0.467 174.869 174.600 -0.330 0.000 1.162 131 S CA -0.186 57.912 58.200 -0.171 0.000 0.817 131 S CB 0.991 64.099 63.200 -0.152 0.000 1.141 131 S HN 1.027 nan 8.310 nan 0.000 0.477 132 C N 0.575 119.456 119.300 -0.698 0.000 2.481 132 C HA 0.477 4.531 4.460 -0.676 0.000 0.275 132 C C 1.230 175.947 174.990 -0.454 0.000 1.419 132 C CA 0.801 59.218 59.018 -1.002 0.000 1.773 132 C CB -1.679 24.936 27.740 -1.875 0.000 1.862 132 C HN 0.754 nan 8.230 nan 0.000 0.530 133 T N 0.396 114.756 114.554 -0.322 0.000 2.864 133 T HA 0.501 4.445 4.350 -0.676 0.000 0.289 133 T C -0.451 174.170 174.700 -0.132 0.000 1.082 133 T CA 0.312 62.297 62.100 -0.192 0.000 1.009 133 T CB 1.698 70.463 68.868 -0.172 0.000 1.234 133 T HN 0.444 nan 8.240 nan 0.000 0.526 134 D N -0.078 120.267 120.400 -0.091 0.000 2.440 134 D HA 0.182 4.416 4.640 -0.676 0.000 0.216 134 D C 0.316 176.585 176.300 -0.051 0.000 1.150 134 D CA -0.313 53.649 54.000 -0.063 0.000 0.832 134 D CB 0.060 40.831 40.800 -0.047 0.000 0.992 134 D HN 0.247 nan 8.370 nan 0.000 0.502 135 R N 0.467 120.929 120.500 -0.063 0.000 2.308 135 R HA 0.606 4.540 4.340 -0.676 0.000 0.305 135 R C 0.617 176.885 176.300 -0.054 0.000 1.053 135 R CA -0.428 55.640 56.100 -0.052 0.000 0.957 135 R CB 1.586 31.851 30.300 -0.058 0.000 1.022 135 R HN 0.168 nan 8.270 nan 0.000 0.461 136 G N 2.448 111.229 108.800 -0.032 0.000 2.531 136 G HA2 0.475 4.029 3.960 -0.676 0.000 0.313 136 G HA3 0.475 4.029 3.960 -0.676 0.000 0.313 136 G C -0.425 174.445 174.900 -0.051 0.000 1.238 136 G CA -0.793 44.293 45.100 -0.024 0.000 0.994 136 G HN 0.326 nan 8.290 nan 0.000 0.493 137 L N 0.124 121.300 121.223 -0.079 0.000 2.360 137 L HA 0.415 4.349 4.340 -0.676 0.000 0.271 137 L C 1.165 178.037 176.870 0.003 0.000 1.057 137 L CA -0.846 53.899 54.840 -0.158 0.000 0.803 137 L CB 1.867 43.600 42.059 -0.542 0.000 1.207 137 L HN 0.704 nan 8.230 nan 0.000 0.445 138 T N -0.589 113.957 114.554 -0.013 0.000 2.882 138 T HA 0.385 4.329 4.350 -0.676 0.000 0.287 138 T C -2.454 172.317 174.700 0.118 0.000 1.014 138 T CA -1.713 60.413 62.100 0.044 0.000 1.049 138 T CB 0.860 69.731 68.868 0.004 0.000 1.001 138 T HN 0.240 nan 8.240 nan 0.000 0.525 139 P HA 0.224 nan 4.420 nan 0.000 0.268 139 P C -0.634 176.690 177.300 0.039 0.000 1.208 139 P CA -0.137 62.938 63.100 -0.042 0.000 0.777 139 P CB 0.314 31.804 31.700 -0.350 0.000 0.875 140 Q N 0.819 120.666 119.800 0.078 0.000 2.397 140 Q HA 0.507 4.441 4.340 -0.676 0.000 0.275 140 Q C -0.588 175.422 176.000 0.017 0.000 1.090 140 Q CA -0.809 55.039 55.803 0.075 0.000 0.809 140 Q CB 2.063 30.903 28.738 0.170 0.000 1.362 140 Q HN 0.357 nan 8.270 nan 0.000 0.431 141 I N 2.594 123.176 120.570 0.020 0.000 2.474 141 I HA 0.125 3.889 4.170 -0.676 0.000 0.287 141 I C 0.444 176.588 176.117 0.046 0.000 1.048 141 I CA 0.004 61.317 61.300 0.022 0.000 1.383 141 I CB 0.610 38.628 38.000 0.030 0.000 1.412 141 I HN 0.493 nan 8.210 nan 0.000 0.531 142 M N 3.484 123.111 119.600 0.044 0.000 1.878 142 M HA 0.067 4.141 4.480 -0.676 0.000 0.236 142 M C 1.742 178.096 176.300 0.089 0.000 1.315 142 M CA -0.064 55.274 55.300 0.064 0.000 0.986 142 M CB 0.450 33.085 32.600 0.058 0.000 1.324 142 M HN 0.738 nan 8.290 nan 0.000 0.474 143 S N 0.121 115.884 115.700 0.105 0.000 2.400 143 S HA -0.209 3.855 4.470 -0.676 0.000 0.232 143 S C 1.181 175.878 174.600 0.162 0.000 1.025 143 S CA 1.888 60.198 58.200 0.183 0.000 0.993 143 S CB -1.218 62.166 63.200 0.308 0.000 0.808 143 S HN 0.857 nan 8.310 nan 0.000 0.478 144 N N 1.156 119.930 118.700 0.123 0.000 2.354 144 N HA 0.156 4.491 4.740 -0.676 0.000 0.179 144 N C 1.407 176.959 175.510 0.069 0.000 1.021 144 N CA 0.499 53.605 53.050 0.092 0.000 0.887 144 N CB -0.460 38.074 38.487 0.079 0.000 0.974 144 N HN 0.627 nan 8.380 nan 0.000 0.437 145 G N 0.737 109.576 108.800 0.066 0.000 2.132 145 G HA2 -0.216 3.338 3.960 -0.676 0.000 0.228 145 G HA3 -0.216 3.338 3.960 -0.676 0.000 0.228 145 G C 0.502 175.425 174.900 0.040 0.000 1.000 145 G CA 0.423 45.554 45.100 0.052 0.000 0.693 145 G HN 0.461 nan 8.290 nan 0.000 0.515 146 I N -0.957 119.637 120.570 0.039 0.000 4.398 146 I HA 0.223 3.988 4.170 -0.676 0.000 0.310 146 I C 0.289 176.423 176.117 0.029 0.000 1.232 146 I CA -0.124 61.195 61.300 0.031 0.000 1.312 146 I CB 0.287 38.305 38.000 0.030 0.000 1.347 146 I HN -0.015 nan 8.210 nan 0.000 0.454 147 D N 2.245 122.665 120.400 0.033 0.000 2.181 147 D HA 0.502 4.736 4.640 -0.676 0.000 0.248 147 D C -0.438 175.873 176.300 0.019 0.000 1.020 147 D CA -0.158 53.859 54.000 0.028 0.000 0.891 147 D CB 2.890 43.709 40.800 0.030 0.000 1.187 147 D HN -0.023 nan 8.370 nan 0.000 0.443 148 I N 1.131 121.711 120.570 0.017 0.000 2.377 148 I HA 0.332 4.097 4.170 -0.676 0.000 0.293 148 I C 0.206 176.279 176.117 -0.074 0.000 0.987 148 I CA -0.792 60.487 61.300 -0.035 0.000 1.185 148 I CB 1.703 39.677 38.000 -0.043 0.000 1.341 148 I HN 0.273 nan 8.210 nan 0.000 0.455 149 A N 5.660 128.371 122.820 -0.181 0.000 2.269 149 A HA 0.508 4.422 4.320 -0.676 0.000 0.302 149 A C -0.834 176.363 177.584 -0.646 0.000 1.266 149 A CA -0.249 51.575 52.037 -0.355 0.000 0.894 149 A CB -0.219 18.569 19.000 -0.354 0.000 1.147 149 A HN 0.731 nan 8.150 nan 0.000 0.537 150 H N 0.725 119.473 119.070 -0.538 0.000 2.463 150 H HA 0.638 4.788 4.556 -0.676 0.000 0.332 150 H C -1.114 173.848 175.328 -0.611 0.000 1.127 150 H CA 0.102 55.907 56.048 -0.406 0.000 1.238 150 H CB 1.177 30.828 29.762 -0.185 0.000 1.478 150 H HN 0.578 nan 8.280 nan 0.000 0.499 151 F N 0.187 120.185 119.950 0.079 0.000 2.532 151 F HA 0.345 4.466 4.527 -0.678 0.000 0.321 151 F C 0.339 176.163 175.800 0.041 0.000 1.089 151 F CA -0.946 57.082 58.000 0.046 0.000 0.926 151 F CB 1.736 40.741 39.000 0.008 0.000 1.168 151 F HN 0.348 nan 8.300 nan 0.000 0.459 152 T N 2.528 117.203 114.554 0.202 0.000 2.869 152 T HA 0.292 4.236 4.350 -0.676 0.000 0.295 152 T C 0.364 175.124 174.700 0.099 0.000 0.987 152 T CA -0.670 61.498 62.100 0.113 0.000 1.109 152 T CB 0.397 69.307 68.868 0.069 0.000 0.932 152 T HN 0.396 nan 8.240 nan 0.000 0.518 153 R N 3.706 124.243 120.500 0.062 0.000 2.640 153 R HA 0.105 4.040 4.340 -0.676 0.000 0.270 153 R C -1.995 174.315 176.300 0.017 0.000 1.024 153 R CA -0.869 55.249 56.100 0.031 0.000 1.085 153 R CB 0.093 30.402 30.300 0.015 0.000 0.963 153 R HN 0.454 nan 8.270 nan 0.000 0.426 154 P HA 0.153 nan 4.420 nan 0.000 0.280 154 P C -1.295 175.988 177.300 -0.027 0.000 1.272 154 P CA -0.619 62.473 63.100 -0.013 0.000 0.819 154 P CB 0.870 32.551 31.700 -0.031 0.000 1.122 155 R N 1.006 121.488 120.500 -0.030 0.000 2.255 155 R HA 0.287 4.221 4.340 -0.676 0.000 0.326 155 R C 0.281 176.547 176.300 -0.056 0.000 0.986 155 R CA -0.717 55.361 56.100 -0.036 0.000 0.847 155 R CB 0.585 30.868 30.300 -0.027 0.000 1.111 155 R HN 0.401 nan 8.270 nan 0.000 0.452 156 R N 5.499 125.962 120.500 -0.062 0.000 2.404 156 R HA 0.079 4.013 4.340 -0.676 0.000 0.315 156 R C -0.362 175.898 176.300 -0.066 0.000 1.032 156 R CA -0.187 55.863 56.100 -0.084 0.000 0.992 156 R CB 0.284 30.538 30.300 -0.075 0.000 0.959 156 R HN 0.620 nan 8.270 nan 0.000 0.428 157 L N 3.940 125.118 121.223 -0.076 0.000 2.485 157 L HA 0.028 3.962 4.340 -0.676 0.000 0.275 157 L C 1.083 177.929 176.870 -0.040 0.000 1.207 157 L CA 0.229 55.033 54.840 -0.060 0.000 0.855 157 L CB 0.720 42.735 42.059 -0.073 0.000 1.114 157 L HN 0.743 nan 8.230 nan 0.000 0.485 158 T N -1.690 112.846 114.554 -0.031 0.000 2.882 158 T HA 0.107 4.052 4.350 -0.676 0.000 0.287 158 T C 1.238 175.941 174.700 0.005 0.000 1.014 158 T CA -0.497 61.600 62.100 -0.005 0.000 1.049 158 T CB 1.219 70.086 68.868 -0.001 0.000 1.001 158 T HN 0.668 nan 8.240 nan 0.000 0.525 159 T N 1.676 116.264 114.554 0.057 0.000 2.685 159 T HA -0.168 3.776 4.350 -0.676 0.000 0.268 159 T C 1.381 176.147 174.700 0.111 0.000 1.034 159 T CA 1.957 64.137 62.100 0.133 0.000 1.149 159 T CB -0.541 68.417 68.868 0.150 0.000 0.860 159 T HN 0.917 nan 8.240 nan 0.000 0.449 160 D N 0.712 121.149 120.400 0.061 0.000 2.340 160 D HA 0.017 4.252 4.640 -0.676 0.000 0.220 160 D C 1.614 177.923 176.300 0.014 0.000 1.039 160 D CA 0.243 54.272 54.000 0.049 0.000 0.866 160 D CB -0.301 40.523 40.800 0.039 0.000 0.913 160 D HN 0.424 nan 8.370 nan 0.000 0.523 161 E N 0.470 120.659 120.200 -0.017 0.000 2.086 161 E HA 0.023 3.967 4.350 -0.676 0.000 0.190 161 E C 2.182 178.742 176.600 -0.067 0.000 0.975 161 E CA 0.111 56.487 56.400 -0.039 0.000 0.813 161 E CB 0.050 29.719 29.700 -0.052 0.000 0.768 161 E HN 0.232 nan 8.360 nan 0.000 0.457 162 I N 1.511 121.994 120.570 -0.144 0.000 2.147 162 I HA -0.300 3.464 4.170 -0.676 0.000 0.245 162 I C -0.803 175.278 176.117 -0.060 0.000 1.059 162 I CA 1.567 62.713 61.300 -0.256 0.000 1.320 162 I CB -1.335 36.249 38.000 -0.693 0.000 1.021 162 I HN 0.099 nan 8.210 nan 0.000 0.415 163 P HA -0.191 nan 4.420 nan 0.000 0.218 163 P C 1.482 178.808 177.300 0.043 0.000 1.148 163 P CA 1.398 64.532 63.100 0.057 0.000 0.822 163 P CB -0.043 31.697 31.700 0.066 0.000 0.784 164 Q N -1.098 118.712 119.800 0.017 0.000 2.096 164 Q HA -0.150 3.785 4.340 -0.676 0.000 0.204 164 Q C 1.905 177.914 176.000 0.015 0.000 0.982 164 Q CA 1.147 56.954 55.803 0.007 0.000 0.850 164 Q CB -0.438 28.292 28.738 -0.013 0.000 0.901 164 Q HN 0.236 nan 8.270 nan 0.000 0.422 165 I N -0.142 120.447 120.570 0.032 0.000 2.286 165 I HA -0.186 3.579 4.170 -0.676 0.000 0.245 165 I C 2.312 178.551 176.117 0.203 0.000 1.104 165 I CA 0.925 62.271 61.300 0.076 0.000 1.397 165 I CB -1.230 36.830 38.000 0.100 0.000 1.072 165 I HN 0.052 nan 8.210 nan 0.000 0.417 166 V N 1.600 121.638 119.914 0.206 0.000 2.380 166 V HA -0.320 3.394 4.120 -0.676 0.000 0.251 166 V C 2.403 178.563 176.094 0.110 0.000 1.063 166 V CA 2.145 64.509 62.300 0.106 0.000 1.055 166 V CB -0.987 30.848 31.823 0.020 0.000 0.657 166 V HN 0.545 nan 8.190 nan 0.000 0.455 167 N N -0.189 118.554 118.700 0.071 0.000 2.223 167 N HA -0.196 4.138 4.740 -0.676 0.000 0.185 167 N C 1.822 177.351 175.510 0.031 0.000 1.016 167 N CA 1.353 54.428 53.050 0.041 0.000 0.863 167 N CB 0.062 38.563 38.487 0.023 0.000 0.983 167 N HN 0.637 nan 8.380 nan 0.000 0.429 168 E N -0.317 119.886 120.200 0.004 0.000 2.077 168 E HA -0.171 3.773 4.350 -0.676 0.000 0.193 168 E C 1.677 178.210 176.600 -0.112 0.000 0.989 168 E CA 1.002 57.350 56.400 -0.087 0.000 0.800 168 E CB -0.217 29.370 29.700 -0.188 0.000 0.746 168 E HN 0.418 nan 8.360 nan 0.000 0.452 169 F N 1.054 120.976 119.950 -0.047 0.000 2.171 169 F HA -0.136 3.972 4.527 -0.699 0.000 0.300 169 F C 2.627 178.383 175.800 -0.074 0.000 1.090 169 F CA 1.142 59.103 58.000 -0.065 0.000 1.293 169 F CB -0.181 38.746 39.000 -0.122 0.000 1.013 169 F HN -0.077 nan 8.300 nan 0.000 0.486 170 R N 0.657 121.222 120.500 0.108 0.000 2.070 170 R HA -0.154 3.781 4.340 -0.676 0.000 0.232 170 R C 2.133 178.440 176.300 0.013 0.000 1.138 170 R CA 2.046 58.167 56.100 0.034 0.000 0.936 170 R CB -0.756 29.556 30.300 0.020 0.000 0.839 170 R HN 0.146 nan 8.270 nan 0.000 0.429 171 V N 1.576 121.498 119.914 0.013 0.000 2.252 171 V HA -0.301 3.414 4.120 -0.676 0.000 0.249 171 V C 2.637 178.735 176.094 0.007 0.000 1.056 171 V CA 2.109 64.417 62.300 0.013 0.000 1.022 171 V CB -1.071 30.765 31.823 0.022 0.000 0.641 171 V HN 0.624 nan 8.190 nan 0.000 0.445 172 A N 0.079 122.899 122.820 -0.001 0.000 1.892 172 A HA -0.244 3.671 4.320 -0.676 0.000 0.218 172 A C 2.448 179.997 177.584 -0.058 0.000 1.188 172 A CA 2.690 54.718 52.037 -0.016 0.000 0.631 172 A CB -1.013 17.963 19.000 -0.039 0.000 0.822 172 A HN 0.659 nan 8.150 nan 0.000 0.447 173 A N -0.579 122.209 122.820 -0.052 0.000 1.908 173 A HA -0.188 3.726 4.320 -0.676 0.000 0.218 173 A C 2.184 179.716 177.584 -0.086 0.000 1.181 173 A CA 2.290 54.269 52.037 -0.097 0.000 0.627 173 A CB -0.449 18.506 19.000 -0.075 0.000 0.818 173 A HN 0.494 nan 8.150 nan 0.000 0.445 174 R N 0.547 121.020 120.500 -0.044 0.000 2.081 174 R HA -0.097 3.837 4.340 -0.676 0.000 0.235 174 R C 1.762 178.051 176.300 -0.017 0.000 1.131 174 R CA 2.026 58.111 56.100 -0.026 0.000 0.960 174 R CB -0.626 29.670 30.300 -0.007 0.000 0.856 174 R HN 0.557 nan 8.270 nan 0.000 0.436 175 N N 0.506 119.199 118.700 -0.012 0.000 2.120 175 N HA -0.133 4.202 4.740 -0.676 0.000 0.188 175 N C 1.557 177.066 175.510 -0.002 0.000 1.024 175 N CA 1.688 54.743 53.050 0.008 0.000 0.852 175 N CB -0.626 37.877 38.487 0.027 0.000 1.003 175 N HN 0.358 nan 8.380 nan 0.000 0.424 176 A N 1.425 124.199 122.820 -0.077 0.000 1.917 176 A HA -0.137 3.778 4.320 -0.676 0.000 0.219 176 A C 2.043 179.671 177.584 0.073 0.000 1.182 176 A CA 1.117 53.096 52.037 -0.098 0.000 0.633 176 A CB -0.501 18.263 19.000 -0.393 0.000 0.819 176 A HN 0.141 nan 8.150 nan 0.000 0.448 177 I N -0.035 120.535 120.570 0.001 0.000 2.394 177 I HA -0.179 3.586 4.170 -0.676 0.000 0.251 177 I C 2.357 178.499 176.117 0.042 0.000 1.136 177 I CA 1.680 62.994 61.300 0.024 0.000 1.425 177 I CB -1.379 36.615 38.000 -0.009 0.000 1.079 177 I HN 0.625 nan 8.210 nan 0.000 0.425 178 E N 1.332 121.554 120.200 0.038 0.000 2.150 178 E HA -0.148 3.796 4.350 -0.676 0.000 0.193 178 E C 2.196 178.828 176.600 0.053 0.000 0.985 178 E CA 1.092 57.517 56.400 0.041 0.000 0.814 178 E CB 0.129 29.852 29.700 0.037 0.000 0.752 178 E HN 0.397 nan 8.360 nan 0.000 0.466 179 A N 0.084 122.950 122.820 0.076 0.000 2.066 179 A HA 0.123 4.037 4.320 -0.676 0.000 0.218 179 A C 1.911 179.479 177.584 -0.028 0.000 1.157 179 A CA 1.332 53.411 52.037 0.069 0.000 0.670 179 A CB -0.370 18.720 19.000 0.150 0.000 0.804 179 A HN 0.539 nan 8.150 nan 0.000 0.453 180 G N -2.701 106.103 108.800 0.007 0.000 2.211 180 G HA2 -0.181 3.374 3.960 -0.676 0.000 0.201 180 G HA3 -0.181 3.374 3.960 -0.676 0.000 0.201 180 G C 0.103 175.035 174.900 0.052 0.000 0.997 180 G CA -0.189 44.923 45.100 0.020 0.000 0.652 180 G HN 0.299 nan 8.290 nan 0.000 0.500 181 F N 2.049 121.960 119.950 -0.065 0.000 2.602 181 F HA 0.210 4.344 4.527 -0.656 0.000 0.367 181 F C 1.622 177.394 175.800 -0.045 0.000 1.126 181 F CA 0.792 58.707 58.000 -0.141 0.000 1.321 181 F CB 0.574 39.333 39.000 -0.402 0.000 1.094 181 F HN -0.001 nan 8.300 nan 0.000 0.594 182 D N 1.365 121.916 120.400 0.250 0.000 2.317 182 D HA 0.126 4.360 4.640 -0.676 0.000 0.211 182 D C 0.962 177.186 176.300 -0.126 0.000 0.966 182 D CA 0.969 55.098 54.000 0.215 0.000 0.876 182 D CB 0.299 41.309 40.800 0.350 0.000 0.927 182 D HN 0.659 nan 8.370 nan 0.000 0.519 183 G N -0.381 108.016 108.800 -0.670 0.000 2.430 183 G HA2 0.421 3.975 3.960 -0.676 0.000 0.300 183 G HA3 0.421 3.975 3.960 -0.676 0.000 0.300 183 G C -1.612 172.554 174.900 -1.224 0.000 1.330 183 G CA -0.208 44.048 45.100 -1.406 0.000 0.813 183 G HN 0.110 nan 8.290 nan 0.000 0.487 184 V N -2.601 116.747 119.914 -0.943 0.000 3.007 184 V HA 0.910 4.624 4.120 -0.676 0.000 0.311 184 V C -0.802 175.168 176.094 -0.207 0.000 1.120 184 V CA -0.881 61.119 62.300 -0.499 0.000 0.980 184 V CB 1.931 33.529 31.823 -0.375 0.000 1.033 184 V HN 1.027 nan 8.190 nan 0.000 0.429 185 E N 2.908 123.063 120.200 -0.075 0.000 2.165 185 E HA 0.574 4.519 4.350 -0.676 0.000 0.266 185 E C -1.032 175.535 176.600 -0.055 0.000 0.889 185 E CA -0.889 55.512 56.400 0.001 0.000 0.756 185 E CB 1.754 31.542 29.700 0.147 0.000 1.131 185 E HN 0.806 nan 8.360 nan 0.000 0.411 186 I N 3.840 124.357 120.570 -0.088 0.000 2.496 186 I HA 0.013 3.777 4.170 -0.676 0.000 0.285 186 I C 0.411 176.521 176.117 -0.012 0.000 1.080 186 I CA -0.296 60.965 61.300 -0.064 0.000 1.404 186 I CB 0.501 38.384 38.000 -0.195 0.000 1.403 186 I HN 0.509 nan 8.210 nan 0.000 0.539 187 H N 6.395 125.483 119.070 0.029 0.000 3.118 187 H HA 0.211 4.643 4.556 -0.208 0.000 0.266 187 H C 0.747 176.112 175.328 0.062 0.000 1.465 187 H CA -0.481 55.592 56.048 0.043 0.000 1.460 187 H CB 0.497 30.341 29.762 0.138 0.000 1.661 187 H HN 0.759 nan 8.280 nan 0.000 0.516 188 G N 2.630 111.510 108.800 0.134 0.000 3.518 188 G HA2 0.435 3.990 3.960 -0.676 0.000 0.273 188 G HA3 0.435 3.990 3.960 -0.676 0.000 0.273 188 G C 0.343 175.306 174.900 0.106 0.000 1.199 188 G CA 0.371 45.528 45.100 0.095 0.000 0.899 188 G HN 0.656 nan 8.290 nan 0.000 0.533 189 A N -0.899 122.054 122.820 0.222 0.000 2.470 189 A HA 0.684 4.599 4.320 -0.676 0.000 0.271 189 A C 0.460 178.170 177.584 0.211 0.000 1.269 189 A CA -0.667 51.373 52.037 0.006 0.000 0.828 189 A CB 0.138 18.847 19.000 -0.484 0.000 1.374 189 A HN 0.584 nan 8.150 nan 0.000 0.454 190 H N -1.003 118.170 119.070 0.171 0.000 2.690 190 H HA -0.180 3.964 4.556 -0.686 0.000 0.309 190 H C 1.231 176.487 175.328 -0.121 0.000 1.138 190 H CA 1.201 57.289 56.048 0.068 0.000 1.142 190 H CB -1.507 28.293 29.762 0.063 0.000 1.410 190 H HN 2.175 nan 8.280 nan 0.000 0.409 191 G N -1.850 106.966 108.800 0.025 0.000 2.179 191 G HA2 -0.376 3.178 3.960 -0.676 0.000 0.257 191 G HA3 -0.376 3.178 3.960 -0.676 0.000 0.257 191 G C 0.016 174.798 174.900 -0.196 0.000 1.010 191 G CA 0.674 45.718 45.100 -0.094 0.000 0.736 191 G HN 0.558 nan 8.290 nan 0.000 0.513 192 Y N -1.554 118.893 120.300 0.244 0.000 2.378 192 Y HA 0.572 4.709 4.550 -0.688 0.000 0.351 192 Y C 1.794 177.838 175.900 0.239 0.000 1.351 192 Y CA -0.568 57.682 58.100 0.250 0.000 1.616 192 Y CB -0.301 38.351 38.460 0.319 0.000 1.622 192 Y HN 0.025 nan 8.280 nan 0.000 0.568 193 L N 0.689 122.200 121.223 0.479 0.000 1.991 193 L HA -0.278 3.656 4.340 -0.676 0.000 0.221 193 L C 1.885 179.081 176.870 0.543 0.000 1.079 193 L CA 1.905 57.010 54.840 0.442 0.000 0.778 193 L CB -0.984 41.364 42.059 0.482 0.000 0.893 193 L HN 0.699 nan 8.230 nan 0.000 0.437 194 I N -0.876 120.013 120.570 0.532 0.000 2.163 194 I HA -0.297 3.467 4.170 -0.676 0.000 0.243 194 I C 2.231 178.567 176.117 0.364 0.000 1.085 194 I CA 1.784 63.352 61.300 0.447 0.000 1.347 194 I CB -0.632 37.437 38.000 0.115 0.000 1.044 194 I HN 0.342 nan 8.210 nan 0.000 0.408 195 D N 0.596 121.156 120.400 0.266 0.000 2.178 195 D HA -0.199 4.035 4.640 -0.676 0.000 0.201 195 D C 2.247 178.627 176.300 0.133 0.000 0.980 195 D CA 1.250 55.350 54.000 0.166 0.000 0.842 195 D CB 0.038 40.913 40.800 0.126 0.000 0.948 195 D HN 0.306 nan 8.370 nan 0.000 0.472 196 Q N -1.184 118.696 119.800 0.134 0.000 2.135 196 Q HA -0.154 3.780 4.340 -0.676 0.000 0.204 196 Q C 1.892 177.857 176.000 -0.058 0.000 0.981 196 Q CA 1.174 56.974 55.803 -0.004 0.000 0.856 196 Q CB -0.170 28.530 28.738 -0.063 0.000 0.902 196 Q HN 0.387 nan 8.270 nan 0.000 0.425 197 F N -0.373 119.603 119.950 0.043 0.000 2.206 197 F HA -0.099 4.018 4.527 -0.682 0.000 0.298 197 F C 2.168 178.004 175.800 0.059 0.000 1.090 197 F CA 0.926 58.949 58.000 0.038 0.000 1.323 197 F CB -0.004 39.050 39.000 0.090 0.000 1.028 197 F HN 0.063 nan 8.300 nan 0.000 0.492 198 M N -0.608 119.139 119.600 0.245 0.000 2.123 198 M HA -0.103 3.972 4.480 -0.676 0.000 0.263 198 M C 0.457 176.790 176.300 0.055 0.000 1.069 198 M CA 1.147 56.530 55.300 0.138 0.000 1.133 198 M CB -0.140 32.523 32.600 0.104 0.000 1.356 198 M HN -0.313 nan 8.290 nan 0.000 0.415 199 K N 2.206 122.620 120.400 0.022 0.000 2.379 199 K HA -0.003 3.911 4.320 -0.676 0.000 0.284 199 K C 0.253 176.836 176.600 -0.028 0.000 1.044 199 K CA 0.180 56.453 56.287 -0.023 0.000 0.974 199 K CB 0.479 32.951 32.500 -0.046 0.000 0.962 199 K HN 0.283 nan 8.250 nan 0.000 0.474 200 D N 1.730 122.113 120.400 -0.028 0.000 2.312 200 D HA -0.155 4.079 4.640 -0.676 0.000 0.211 200 D C 0.795 177.077 176.300 -0.029 0.000 0.964 200 D CA 0.957 54.941 54.000 -0.026 0.000 0.877 200 D CB 0.211 40.999 40.800 -0.020 0.000 0.924 200 D HN 0.328 nan 8.370 nan 0.000 0.515 201 Q N 0.086 119.869 119.800 -0.029 0.000 2.436 201 Q HA 0.032 3.966 4.340 -0.676 0.000 0.209 201 Q C 1.684 177.658 176.000 -0.043 0.000 0.965 201 Q CA 0.524 56.313 55.803 -0.024 0.000 0.910 201 Q CB 0.572 29.305 28.738 -0.008 0.000 0.980 201 Q HN 0.419 nan 8.270 nan 0.000 0.491 202 V N -0.174 119.703 119.914 -0.062 0.000 2.948 202 V HA 0.055 3.770 4.120 -0.676 0.000 0.234 202 V C 0.944 176.966 176.094 -0.120 0.000 1.205 202 V CA -0.122 62.123 62.300 -0.093 0.000 1.234 202 V CB -0.202 31.556 31.823 -0.108 0.000 1.020 202 V HN 0.217 nan 8.190 nan 0.000 0.491 203 N N 3.127 121.755 118.700 -0.120 0.000 2.416 203 N HA -0.024 4.310 4.740 -0.676 0.000 0.271 203 N C -0.530 174.932 175.510 -0.080 0.000 1.245 203 N CA 0.445 53.414 53.050 -0.135 0.000 0.940 203 N CB 0.715 39.156 38.487 -0.076 0.000 1.175 203 N HN 0.606 nan 8.380 nan 0.000 0.483 204 D N 2.038 122.385 120.400 -0.089 0.000 2.593 204 D HA 0.112 4.347 4.640 -0.676 0.000 0.241 204 D C 0.105 176.382 176.300 -0.038 0.000 1.257 204 D CA -0.326 53.642 54.000 -0.053 0.000 0.828 204 D CB -0.030 40.737 40.800 -0.054 0.000 1.049 204 D HN 0.311 nan 8.370 nan 0.000 0.490 205 R N 0.185 120.669 120.500 -0.027 0.000 2.641 205 R HA 0.332 4.267 4.340 -0.676 0.000 0.269 205 R C 1.052 177.366 176.300 0.023 0.000 1.074 205 R CA 0.168 56.274 56.100 0.010 0.000 1.133 205 R CB 0.703 31.042 30.300 0.065 0.000 1.029 205 R HN 0.170 nan 8.270 nan 0.000 0.488 206 S N -0.978 114.738 115.700 0.027 0.000 2.523 206 S HA -0.016 4.049 4.470 -0.676 0.000 0.217 206 S C 0.388 175.006 174.600 0.031 0.000 0.996 206 S CA -0.380 57.833 58.200 0.021 0.000 0.921 206 S CB -0.018 63.190 63.200 0.012 0.000 0.829 206 S HN 0.701 nan 8.310 nan 0.000 0.495 207 D N 2.716 123.151 120.400 0.058 0.000 2.496 207 D HA 0.146 4.380 4.640 -0.676 0.000 0.283 207 D C 1.101 177.424 176.300 0.039 0.000 1.214 207 D CA -0.603 53.434 54.000 0.062 0.000 1.089 207 D CB 0.319 41.187 40.800 0.113 0.000 1.141 207 D HN 0.285 nan 8.370 nan 0.000 0.580 208 K N -1.421 118.967 120.400 -0.019 0.000 2.439 208 K HA -0.080 3.834 4.320 -0.676 0.000 0.197 208 K C 0.868 177.352 176.600 -0.193 0.000 1.041 208 K CA 0.808 57.011 56.287 -0.140 0.000 0.970 208 K CB -0.451 31.897 32.500 -0.253 0.000 0.773 208 K HN 0.276 nan 8.250 nan 0.000 0.479 209 Y N 1.266 121.607 120.300 0.069 0.000 2.468 209 Y HA 0.312 4.456 4.550 -0.676 0.000 0.268 209 Y C 0.982 176.978 175.900 0.160 0.000 1.177 209 Y CA -0.168 58.004 58.100 0.120 0.000 1.265 209 Y CB 0.979 39.528 38.460 0.149 0.000 1.103 209 Y HN 0.225 nan 8.280 nan 0.000 0.522 210 G N -2.354 106.558 108.800 0.187 0.000 2.727 210 G HA2 0.520 4.074 3.960 -0.676 0.000 0.289 210 G HA3 0.520 4.074 3.960 -0.676 0.000 0.289 210 G C 0.255 175.183 174.900 0.046 0.000 1.418 210 G CA -0.207 44.962 45.100 0.116 0.000 0.818 210 G HN 0.293 nan 8.290 nan 0.000 0.486 211 G N -0.258 108.555 108.800 0.021 0.000 4.257 211 G HA2 -0.005 3.550 3.960 -0.676 0.000 0.270 211 G HA3 -0.005 3.550 3.960 -0.676 0.000 0.270 211 G C 1.053 175.940 174.900 -0.021 0.000 1.717 211 G CA 0.879 45.977 45.100 -0.002 0.000 1.170 211 G HN 2.286 nan 8.290 nan 0.000 0.642 212 S N 1.012 116.691 115.700 -0.035 0.000 2.645 212 S HA 0.615 4.680 4.470 -0.676 0.000 0.266 212 S C 1.395 175.930 174.600 -0.109 0.000 1.258 212 S CA 0.375 58.533 58.200 -0.071 0.000 0.990 212 S CB 1.822 64.975 63.200 -0.078 0.000 0.967 212 S HN 1.582 nan 8.310 nan 0.000 0.556 213 L N 0.839 121.948 121.223 -0.190 0.000 2.083 213 L HA -0.021 3.914 4.340 -0.676 0.000 0.209 213 L C 2.528 179.128 176.870 -0.450 0.000 1.083 213 L CA 2.159 56.813 54.840 -0.309 0.000 0.752 213 L CB -1.181 40.627 42.059 -0.418 0.000 0.899 213 L HN 1.014 nan 8.230 nan 0.000 0.433 214 E N -0.877 119.050 120.200 -0.456 0.000 2.110 214 E HA -0.244 3.700 4.350 -0.676 0.000 0.193 214 E C 1.736 178.311 176.600 -0.041 0.000 0.988 214 E CA 1.297 57.539 56.400 -0.263 0.000 0.804 214 E CB 0.029 29.684 29.700 -0.075 0.000 0.745 214 E HN 0.561 nan 8.360 nan 0.000 0.458 215 N N 0.578 119.248 118.700 -0.049 0.000 2.171 215 N HA -0.086 4.248 4.740 -0.676 0.000 0.184 215 N C 1.724 177.290 175.510 0.093 0.000 1.021 215 N CA 0.889 53.940 53.050 0.001 0.000 0.854 215 N CB -0.246 38.235 38.487 -0.009 0.000 0.994 215 N HN 0.156 nan 8.380 nan 0.000 0.426 216 R N -0.304 120.246 120.500 0.082 0.000 2.152 216 R HA 0.039 3.973 4.340 -0.676 0.000 0.232 216 R C 1.419 177.843 176.300 0.207 0.000 1.117 216 R CA 0.829 57.026 56.100 0.161 0.000 0.981 216 R CB -0.320 30.029 30.300 0.080 0.000 0.870 216 R HN 0.265 nan 8.270 nan 0.000 0.451 217 C N -0.404 118.991 119.300 0.160 0.000 2.696 217 C HA 0.164 4.219 4.460 -0.676 0.000 0.264 217 C C 2.393 177.493 174.990 0.183 0.000 1.288 217 C CA -0.560 58.577 59.018 0.198 0.000 1.717 217 C CB -0.763 27.164 27.740 0.313 0.000 1.893 217 C HN 0.442 nan 8.230 nan 0.000 0.577 218 R N 0.622 121.233 120.500 0.185 0.000 2.083 218 R HA -0.184 3.750 4.340 -0.676 0.000 0.237 218 R C 2.082 178.502 176.300 0.201 0.000 1.137 218 R CA 1.813 58.006 56.100 0.154 0.000 0.951 218 R CB -0.505 29.821 30.300 0.044 0.000 0.851 218 R HN 0.459 nan 8.270 nan 0.000 0.434 219 F N 1.146 121.134 119.950 0.063 0.000 2.065 219 F HA -0.225 3.896 4.527 -0.676 0.000 0.298 219 F C 2.172 177.854 175.800 -0.197 0.000 1.112 219 F CA 1.570 59.457 58.000 -0.188 0.000 1.212 219 F CB -0.951 37.627 39.000 -0.703 0.000 0.975 219 F HN 0.140 nan 8.300 nan 0.000 0.476 220 A N 0.754 123.452 122.820 -0.204 0.000 1.873 220 A HA -0.202 3.712 4.320 -0.676 0.000 0.218 220 A C 2.396 179.778 177.584 -0.337 0.000 1.193 220 A CA 2.143 53.979 52.037 -0.334 0.000 0.629 220 A CB -1.366 17.556 19.000 -0.129 0.000 0.826 220 A HN 0.501 nan 8.150 nan 0.000 0.447 221 L N -1.204 119.910 121.223 -0.183 0.000 2.083 221 L HA -0.211 3.724 4.340 -0.676 0.000 0.209 221 L C 2.604 179.334 176.870 -0.233 0.000 1.083 221 L CA 1.743 56.462 54.840 -0.201 0.000 0.752 221 L CB -0.595 41.459 42.059 -0.008 0.000 0.899 221 L HN 0.500 nan 8.230 nan 0.000 0.433 222 E N 0.340 120.444 120.200 -0.160 0.000 2.106 222 E HA -0.181 3.764 4.350 -0.676 0.000 0.192 222 E C 2.285 178.736 176.600 -0.247 0.000 0.984 222 E CA 0.926 57.251 56.400 -0.125 0.000 0.806 222 E CB 0.046 29.738 29.700 -0.014 0.000 0.750 222 E HN 0.447 nan 8.360 nan 0.000 0.458 223 I N -0.003 120.307 120.570 -0.432 0.000 2.202 223 I HA -0.248 3.516 4.170 -0.676 0.000 0.242 223 I C 2.211 178.086 176.117 -0.405 0.000 1.091 223 I CA 0.645 61.640 61.300 -0.508 0.000 1.368 223 I CB -0.171 37.289 38.000 -0.900 0.000 1.058 223 I HN 0.021 nan 8.210 nan 0.000 0.410 224 V N 0.680 120.319 119.914 -0.458 0.000 2.332 224 V HA -0.323 3.392 4.120 -0.676 0.000 0.248 224 V C 2.453 178.288 176.094 -0.432 0.000 1.055 224 V CA 2.095 64.107 62.300 -0.480 0.000 1.038 224 V CB -0.637 30.783 31.823 -0.672 0.000 0.651 224 V HN 0.457 nan 8.190 nan 0.000 0.450 225 E N -0.255 119.694 120.200 -0.417 0.000 2.072 225 E HA -0.190 3.754 4.350 -0.676 0.000 0.191 225 E C 2.304 178.859 176.600 -0.075 0.000 0.985 225 E CA 1.176 57.488 56.400 -0.146 0.000 0.801 225 E CB -0.221 29.500 29.700 0.034 0.000 0.750 225 E HN 0.584 nan 8.360 nan 0.000 0.452 226 A N 0.350 123.107 122.820 -0.105 0.000 1.877 226 A HA -0.166 3.748 4.320 -0.676 0.000 0.216 226 A C 2.383 179.931 177.584 -0.061 0.000 1.186 226 A CA 1.555 53.554 52.037 -0.063 0.000 0.620 226 A CB -0.686 18.275 19.000 -0.065 0.000 0.822 226 A HN 0.199 nan 8.150 nan 0.000 0.443 227 V N -0.217 119.638 119.914 -0.099 0.000 2.307 227 V HA -0.195 3.519 4.120 -0.676 0.000 0.245 227 V C 3.073 179.121 176.094 -0.077 0.000 1.045 227 V CA 1.843 64.090 62.300 -0.088 0.000 1.024 227 V CB -1.365 30.384 31.823 -0.122 0.000 0.651 227 V HN 0.618 nan 8.190 nan 0.000 0.449 228 A N 0.691 123.461 122.820 -0.083 0.000 1.892 228 A HA -0.293 3.622 4.320 -0.676 0.000 0.218 228 A C 2.017 179.596 177.584 -0.009 0.000 1.188 228 A CA 2.507 54.523 52.037 -0.035 0.000 0.631 228 A CB -0.863 18.142 19.000 0.008 0.000 0.822 228 A HN 0.606 nan 8.150 nan 0.000 0.447 229 N N -0.505 118.195 118.700 -0.001 0.000 2.166 229 N HA -0.128 4.206 4.740 -0.676 0.000 0.186 229 N C 1.707 177.213 175.510 -0.006 0.000 1.019 229 N CA 1.571 54.625 53.050 0.006 0.000 0.856 229 N CB -0.271 38.223 38.487 0.012 0.000 0.993 229 N HN 0.671 nan 8.380 nan 0.000 0.426 230 E N 0.763 120.953 120.200 -0.017 0.000 2.072 230 E HA -0.003 3.941 4.350 -0.676 0.000 0.190 230 E C 1.512 178.099 176.600 -0.023 0.000 0.982 230 E CA 0.900 57.290 56.400 -0.018 0.000 0.803 230 E CB -0.002 29.685 29.700 -0.021 0.000 0.755 230 E HN 0.585 nan 8.360 nan 0.000 0.453 231 I N -3.909 116.640 120.570 -0.034 0.000 4.154 231 I HA 0.495 4.260 4.170 -0.676 0.000 0.334 231 I C 0.445 176.544 176.117 -0.030 0.000 1.371 231 I CA 0.153 61.430 61.300 -0.038 0.000 1.110 231 I CB 0.664 38.625 38.000 -0.066 0.000 1.085 231 I HN 0.108 nan 8.210 nan 0.000 0.398 232 G N 2.488 111.276 108.800 -0.020 0.000 3.322 232 G HA2 -0.216 3.338 3.960 -0.676 0.000 0.686 232 G HA3 -0.216 3.338 3.960 -0.676 0.000 0.686 232 G C 0.497 175.396 174.900 -0.001 0.000 1.015 232 G CA -0.014 45.082 45.100 -0.007 0.000 0.826 232 G HN 0.564 nan 8.290 nan 0.000 0.538 233 S N 0.824 116.535 115.700 0.018 0.000 2.440 233 S HA -0.201 3.863 4.470 -0.676 0.000 0.240 233 S C 1.803 176.436 174.600 0.055 0.000 1.014 233 S CA 2.056 60.277 58.200 0.035 0.000 0.980 233 S CB -0.167 63.075 63.200 0.071 0.000 0.775 233 S HN 1.196 nan 8.310 nan 0.000 0.499 234 D N 1.170 121.603 120.400 0.056 0.000 2.371 234 D HA -0.100 4.134 4.640 -0.676 0.000 0.221 234 D C 1.458 177.878 176.300 0.201 0.000 0.986 234 D CA 0.488 54.545 54.000 0.094 0.000 0.899 234 D CB -0.438 40.372 40.800 0.018 0.000 0.902 234 D HN 0.483 nan 8.370 nan 0.000 0.530 235 R N 0.043 120.615 120.500 0.119 0.000 2.546 235 R HA 0.298 4.232 4.340 -0.676 0.000 0.320 235 R C -0.592 175.628 176.300 -0.134 0.000 1.021 235 R CA -0.164 55.979 56.100 0.073 0.000 1.088 235 R CB 1.455 31.740 30.300 -0.025 0.000 1.278 235 R HN 0.020 nan 8.270 nan 0.000 0.557 236 V N 0.086 119.992 119.914 -0.013 0.000 2.540 236 V HA 0.651 4.365 4.120 -0.676 0.000 0.302 236 V C 0.299 176.296 176.094 -0.161 0.000 1.035 236 V CA -0.920 61.315 62.300 -0.109 0.000 0.873 236 V CB 1.831 33.586 31.823 -0.115 0.000 0.992 236 V HN 0.274 nan 8.190 nan 0.000 0.428 237 G N 2.941 111.551 108.800 -0.318 0.000 2.569 237 G HA2 0.855 4.410 3.960 -0.676 0.000 0.300 237 G HA3 0.855 4.410 3.960 -0.676 0.000 0.300 237 G C -1.630 173.027 174.900 -0.405 0.000 1.269 237 G CA -0.690 43.909 45.100 -0.834 0.000 0.959 237 G HN 0.765 nan 8.290 nan 0.000 0.478 238 I N -0.457 119.938 120.570 -0.292 0.000 2.722 238 I HA 0.676 4.440 4.170 -0.676 0.000 0.295 238 I C -0.837 175.237 176.117 -0.072 0.000 1.161 238 I CA -1.138 60.067 61.300 -0.158 0.000 1.032 238 I CB 2.213 40.100 38.000 -0.189 0.000 1.244 238 I HN 0.505 nan 8.210 nan 0.000 0.421 239 R N 7.678 128.101 120.500 -0.128 0.000 2.514 239 R HA 0.764 4.699 4.340 -0.676 0.000 0.301 239 R C -1.319 174.845 176.300 -0.227 0.000 0.962 239 R CA -0.602 55.366 56.100 -0.221 0.000 0.882 239 R CB 1.508 31.550 30.300 -0.431 0.000 1.143 239 R HN 0.708 nan 8.270 nan 0.000 0.452 240 I N -0.267 120.169 120.570 -0.223 0.000 2.969 240 I HA 0.541 4.305 4.170 -0.676 0.000 0.307 240 I C -0.718 175.290 176.117 -0.181 0.000 1.149 240 I CA -0.845 60.352 61.300 -0.172 0.000 1.008 240 I CB 2.722 40.650 38.000 -0.120 0.000 1.232 240 I HN 0.602 nan 8.210 nan 0.000 0.435 241 S N 1.427 117.042 115.700 -0.142 0.000 2.235 241 S HA 0.470 4.534 4.470 -0.676 0.000 0.152 241 S C -2.407 172.144 174.600 -0.081 0.000 1.649 241 S CA -0.986 57.167 58.200 -0.078 0.000 1.277 241 S CB 0.561 63.719 63.200 -0.069 0.000 1.299 241 S HN 0.590 nan 8.310 nan 0.000 0.388 242 P HA -0.069 nan 4.420 nan 0.000 0.216 242 P C 0.606 177.655 177.300 -0.418 0.000 1.150 242 P CA 1.206 64.079 63.100 -0.379 0.000 0.843 242 P CB -0.156 31.169 31.700 -0.625 0.000 0.787 243 F N -1.430 118.541 119.950 0.034 0.000 2.797 243 F HA 0.256 4.374 4.527 -0.680 0.000 0.302 243 F C 1.446 177.297 175.800 0.086 0.000 1.130 243 F CA -0.445 57.593 58.000 0.064 0.000 1.387 243 F CB -0.435 38.626 39.000 0.101 0.000 1.107 243 F HN -0.184 nan 8.300 nan 0.000 0.577 244 A N -0.290 122.634 122.820 0.173 0.000 2.316 244 A HA 0.313 4.227 4.320 -0.676 0.000 0.284 244 A C 0.426 178.029 177.584 0.033 0.000 1.115 244 A CA -0.275 51.888 52.037 0.210 0.000 0.812 244 A CB 0.156 19.306 19.000 0.251 0.000 1.064 244 A HN 0.428 nan 8.150 nan 0.000 0.489 245 H N 0.521 119.693 119.070 0.171 0.000 2.672 245 H HA 0.069 4.220 4.556 -0.675 0.000 0.277 245 H C -0.748 174.652 175.328 0.119 0.000 1.074 245 H CA -0.155 55.963 56.048 0.118 0.000 1.173 245 H CB 0.123 29.937 29.762 0.086 0.000 1.558 245 H HN 0.769 nan 8.280 nan 0.000 0.539 246 Y N 3.086 123.449 120.300 0.105 0.000 2.895 246 Y HA -0.210 3.952 4.550 -0.647 0.000 0.334 246 Y C 0.652 176.529 175.900 -0.040 0.000 1.261 246 Y CA 0.506 58.628 58.100 0.038 0.000 1.560 246 Y CB 0.150 38.631 38.460 0.035 0.000 1.253 246 Y HN 0.291 nan 8.280 nan 0.000 0.582 247 N N 4.395 122.909 118.700 -0.310 0.000 2.738 247 N HA -0.261 4.073 4.740 -0.676 0.000 0.249 247 N C -0.535 174.869 175.510 -0.177 0.000 1.047 247 N CA 1.310 54.184 53.050 -0.293 0.000 0.707 247 N CB -1.172 37.143 38.487 -0.286 0.000 0.937 247 N HN 0.907 nan 8.380 nan 0.000 0.545 248 E N -2.504 117.627 120.200 -0.115 0.000 2.238 248 E HA -0.256 3.688 4.350 -0.676 0.000 0.219 248 E C -0.003 176.571 176.600 -0.043 0.000 1.275 248 E CA 0.872 57.237 56.400 -0.057 0.000 0.714 248 E CB -1.212 28.434 29.700 -0.090 0.000 1.154 248 E HN 0.612 nan 8.360 nan 0.000 0.363 249 A N 0.820 123.624 122.820 -0.027 0.000 3.248 249 A HA 0.563 4.478 4.320 -0.676 0.000 0.315 249 A C 0.580 178.100 177.584 -0.107 0.000 0.974 249 A CA 0.076 52.082 52.037 -0.052 0.000 0.939 249 A CB 0.672 19.643 19.000 -0.049 0.000 1.061 249 A HN 0.307 nan 8.150 nan 0.000 0.481 250 G N -0.406 108.322 108.800 -0.120 0.000 2.535 250 G HA2 0.520 4.075 3.960 -0.676 0.000 0.303 250 G HA3 0.520 4.075 3.960 -0.676 0.000 0.303 250 G C -0.936 173.870 174.900 -0.157 0.000 1.237 250 G CA -0.257 44.636 45.100 -0.346 0.000 0.986 250 G HN 0.370 nan 8.290 nan 0.000 0.494 251 D N -1.687 118.629 120.400 -0.139 0.000 2.934 251 D HA 0.193 4.427 4.640 -0.676 0.000 0.230 251 D C 1.280 177.586 176.300 0.010 0.000 1.204 251 D CA -0.163 53.804 54.000 -0.054 0.000 0.873 251 D CB 1.877 42.629 40.800 -0.080 0.000 1.645 251 D HN 0.376 nan 8.370 nan 0.000 0.502 252 T N 0.448 115.017 114.554 0.024 0.000 3.098 252 T HA -0.058 3.887 4.350 -0.676 0.000 0.266 252 T C 0.766 175.495 174.700 0.049 0.000 1.145 252 T CA 0.526 62.655 62.100 0.048 0.000 1.092 252 T CB 0.041 68.928 68.868 0.033 0.000 0.908 252 T HN 0.280 nan 8.240 nan 0.000 0.526 253 N N 1.004 119.721 118.700 0.029 0.000 2.687 253 N HA 0.279 4.614 4.740 -0.676 0.000 0.275 253 N C -2.599 172.914 175.510 0.005 0.000 1.789 253 N CA -1.537 51.534 53.050 0.034 0.000 0.806 253 N CB 1.537 40.036 38.487 0.021 0.000 1.256 253 N HN 0.041 nan 8.380 nan 0.000 0.500 254 P HA -0.191 nan 4.420 nan 0.000 0.216 254 P C 1.471 178.612 177.300 -0.265 0.000 1.167 254 P CA 2.282 65.276 63.100 -0.177 0.000 0.914 254 P CB 0.074 31.749 31.700 -0.041 0.000 0.793 255 T N -2.507 112.051 114.554 0.005 0.000 2.746 255 T HA -0.134 3.810 4.350 -0.676 0.000 0.267 255 T C 1.941 176.675 174.700 0.058 0.000 1.039 255 T CA 1.438 63.602 62.100 0.107 0.000 1.142 255 T CB -1.328 67.695 68.868 0.258 0.000 0.866 255 T HN 0.054 nan 8.240 nan 0.000 0.444 256 A N 1.493 124.344 122.820 0.052 0.000 1.898 256 A HA 0.195 4.109 4.320 -0.676 0.000 0.216 256 A C 2.313 179.939 177.584 0.071 0.000 1.181 256 A CA 1.346 53.422 52.037 0.065 0.000 0.620 256 A CB -0.853 18.176 19.000 0.048 0.000 0.819 256 A HN 0.443 nan 8.150 nan 0.000 0.442 257 L N 0.282 121.512 121.223 0.011 0.000 2.012 257 L HA -0.044 3.891 4.340 -0.676 0.000 0.210 257 L C 2.342 179.232 176.870 0.032 0.000 1.073 257 L CA 2.491 57.341 54.840 0.018 0.000 0.748 257 L CB -1.107 40.918 42.059 -0.056 0.000 0.891 257 L HN 0.282 nan 8.230 nan 0.000 0.431 258 G N -0.648 108.114 108.800 -0.064 0.000 2.408 258 G HA2 -0.266 3.288 3.960 -0.676 0.000 0.217 258 G HA3 -0.266 3.288 3.960 -0.676 0.000 0.217 258 G C 1.590 176.521 174.900 0.051 0.000 1.150 258 G CA 0.917 45.986 45.100 -0.052 0.000 0.776 258 G HN 0.416 nan 8.290 nan 0.000 0.542 259 L N -0.853 120.419 121.223 0.082 0.000 2.056 259 L HA 0.094 4.028 4.340 -0.676 0.000 0.207 259 L C 2.490 179.422 176.870 0.103 0.000 1.078 259 L CA 1.431 56.331 54.840 0.101 0.000 0.749 259 L CB -0.526 41.596 42.059 0.105 0.000 0.901 259 L HN 0.312 nan 8.230 nan 0.000 0.433 260 Y N -1.046 119.271 120.300 0.028 0.000 2.181 260 Y HA -0.285 3.858 4.550 -0.679 0.000 0.288 260 Y C 2.366 178.290 175.900 0.039 0.000 1.146 260 Y CA 1.913 60.032 58.100 0.032 0.000 1.164 260 Y CB -0.078 38.394 38.460 0.020 0.000 0.982 260 Y HN 0.144 nan 8.280 nan 0.000 0.515 261 M N -0.298 119.335 119.600 0.055 0.000 2.077 261 M HA -0.154 3.920 4.480 -0.676 0.000 0.261 261 M C 2.450 178.725 176.300 -0.041 0.000 1.070 261 M CA 1.954 57.246 55.300 -0.014 0.000 1.125 261 M CB -1.646 30.966 32.600 0.020 0.000 1.339 261 M HN 0.355 nan 8.290 nan 0.000 0.409 262 V N -1.451 118.469 119.914 0.011 0.000 2.343 262 V HA -0.229 3.485 4.120 -0.676 0.000 0.247 262 V C 1.932 178.105 176.094 0.132 0.000 1.051 262 V CA 1.844 64.187 62.300 0.072 0.000 1.036 262 V CB -1.301 30.617 31.823 0.159 0.000 0.654 262 V HN 0.446 nan 8.190 nan 0.000 0.451 263 E N 1.274 121.497 120.200 0.037 0.000 2.038 263 E HA -0.179 3.766 4.350 -0.676 0.000 0.195 263 E C 2.433 179.004 176.600 -0.048 0.000 1.000 263 E CA 1.871 58.269 56.400 -0.004 0.000 0.803 263 E CB -0.377 29.286 29.700 -0.061 0.000 0.750 263 E HN 0.682 nan 8.360 nan 0.000 0.448 264 S N 0.927 116.521 115.700 -0.177 0.000 2.419 264 S HA -0.112 3.952 4.470 -0.676 0.000 0.235 264 S C 1.950 176.601 174.600 0.086 0.000 1.019 264 S CA 0.815 58.924 58.200 -0.152 0.000 0.982 264 S CB -0.116 62.887 63.200 -0.329 0.000 0.789 264 S HN 0.178 nan 8.310 nan 0.000 0.490 265 L N 1.328 122.630 121.223 0.133 0.000 2.418 265 L HA 0.060 3.995 4.340 -0.676 0.000 0.218 265 L C 2.005 179.076 176.870 0.334 0.000 1.125 265 L CA 0.267 55.275 54.840 0.280 0.000 0.835 265 L CB -0.471 41.675 42.059 0.145 0.000 0.953 265 L HN 0.199 nan 8.230 nan 0.000 0.454 266 N N 1.497 120.341 118.700 0.239 0.000 2.205 266 N HA -0.211 4.123 4.740 -0.676 0.000 0.186 266 N C 1.701 177.233 175.510 0.035 0.000 1.015 266 N CA 1.507 54.636 53.050 0.131 0.000 0.862 266 N CB -0.117 38.394 38.487 0.040 0.000 0.986 266 N HN 0.539 nan 8.380 nan 0.000 0.429 267 K N -0.519 119.853 120.400 -0.047 0.000 2.362 267 K HA -0.082 3.832 4.320 -0.676 0.000 0.200 267 K C 0.944 177.377 176.600 -0.278 0.000 1.046 267 K CA 1.030 57.191 56.287 -0.210 0.000 0.952 267 K CB -0.310 31.976 32.500 -0.357 0.000 0.753 267 K HN 0.230 nan 8.250 nan 0.000 0.466 268 Y N 1.410 121.715 120.300 0.008 0.000 2.490 268 Y HA 0.046 4.195 4.550 -0.669 0.000 0.281 268 Y C -0.139 175.770 175.900 0.015 0.000 1.174 268 Y CA -0.027 58.075 58.100 0.003 0.000 1.295 268 Y CB 0.031 38.487 38.460 -0.006 0.000 1.062 268 Y HN 0.140 nan 8.280 nan 0.000 0.522 269 D N 1.111 121.589 120.400 0.130 0.000 2.735 269 D HA -0.210 4.024 4.640 -0.676 0.000 0.235 269 D C -0.418 175.955 176.300 0.121 0.000 1.175 269 D CA 0.432 54.487 54.000 0.091 0.000 0.683 269 D CB -1.001 39.825 40.800 0.042 0.000 1.008 269 D HN 0.276 nan 8.370 nan 0.000 0.416 270 L N -0.365 120.958 121.223 0.167 0.000 2.475 270 L HA 0.434 4.368 4.340 -0.676 0.000 0.253 270 L C 2.136 179.101 176.870 0.158 0.000 1.198 270 L CA -0.137 54.785 54.840 0.136 0.000 0.814 270 L CB 0.229 42.355 42.059 0.111 0.000 1.134 270 L HN 0.144 nan 8.230 nan 0.000 0.478 271 A N 0.600 123.503 122.820 0.138 0.000 2.014 271 A HA 0.019 3.933 4.320 -0.676 0.000 0.218 271 A C 0.167 177.933 177.584 0.303 0.000 1.163 271 A CA 1.316 53.499 52.037 0.244 0.000 0.652 271 A CB -0.223 19.013 19.000 0.394 0.000 0.808 271 A HN 0.745 nan 8.150 nan 0.000 0.449 272 Y N -5.059 115.359 120.300 0.196 0.000 2.810 272 Y HA 0.498 4.617 4.550 -0.718 0.000 0.355 272 Y C -1.265 174.680 175.900 0.075 0.000 1.211 272 Y CA -2.024 56.177 58.100 0.168 0.000 1.112 272 Y CB -0.008 38.465 38.460 0.020 0.000 1.383 272 Y HN 0.200 nan 8.280 nan 0.000 0.458 273 C N 2.977 122.466 119.300 0.314 0.000 2.346 273 C HA 0.594 4.648 4.460 -0.676 0.000 0.326 273 C C -1.334 173.615 174.990 -0.069 0.000 1.224 273 C CA -0.181 58.794 59.018 -0.071 0.000 1.408 273 C CB -0.335 26.968 27.740 -0.728 0.000 2.089 273 C HN 0.954 nan 8.230 nan 0.000 0.456 274 H N 4.502 123.517 119.070 -0.091 0.000 2.556 274 H HA 0.678 4.873 4.556 -0.602 0.000 0.310 274 H C -0.979 174.147 175.328 -0.338 0.000 1.057 274 H CA -0.032 55.862 56.048 -0.257 0.000 1.264 274 H CB 1.218 30.918 29.762 -0.104 0.000 1.404 274 H HN 0.553 nan 8.280 nan 0.000 0.462 275 V N 6.247 126.050 119.914 -0.184 0.000 2.604 275 V HA 0.248 3.963 4.120 -0.676 0.000 0.305 275 V C -0.083 175.982 176.094 -0.049 0.000 1.043 275 V CA -0.946 61.240 62.300 -0.191 0.000 0.888 275 V CB 2.048 33.708 31.823 -0.271 0.000 0.995 275 V HN 0.497 nan 8.190 nan 0.000 0.429 276 V N 3.594 123.496 119.914 -0.019 0.000 2.546 276 V HA 0.324 4.039 4.120 -0.676 0.000 0.284 276 V C 0.470 176.668 176.094 0.172 0.000 1.050 276 V CA -0.661 61.676 62.300 0.063 0.000 0.981 276 V CB 1.361 33.214 31.823 0.050 0.000 0.990 276 V HN 0.832 nan 8.190 nan 0.000 0.474 277 E N 4.204 124.509 120.200 0.175 0.000 2.408 277 E HA 0.236 4.180 4.350 -0.676 0.000 0.259 277 E C -2.255 174.432 176.600 0.145 0.000 1.110 277 E CA -1.462 55.035 56.400 0.162 0.000 0.929 277 E CB 0.320 30.097 29.700 0.129 0.000 0.971 277 E HN 0.469 nan 8.360 nan 0.000 0.438 278 P HA 0.090 nan 4.420 nan 0.000 0.272 278 P C 0.161 177.491 177.300 0.050 0.000 1.223 278 P CA 0.232 63.349 63.100 0.030 0.000 0.784 278 P CB 0.307 31.868 31.700 -0.231 0.000 0.923 291 E N 0.980 121.073 120.200 -0.179 0.000 2.187 291 E HA 0.628 4.573 4.350 -0.676 0.000 0.268 291 E C -1.284 175.022 176.600 -0.491 0.000 0.896 291 E CA -0.815 55.315 56.400 -0.451 0.000 0.766 291 E CB 1.993 31.203 29.700 -0.816 0.000 1.142 291 E HN 0.550 nan 8.360 nan 0.000 0.408 292 S N 2.662 118.155 115.700 -0.345 0.000 2.541 292 S HA 0.331 4.396 4.470 -0.676 0.000 0.271 292 S C 0.215 174.880 174.600 0.108 0.000 1.133 292 S CA -0.632 57.496 58.200 -0.120 0.000 0.876 292 S CB 0.836 64.022 63.200 -0.022 0.000 1.105 292 S HN 0.561 nan 8.310 nan 0.000 0.470 293 L N 3.416 124.740 121.223 0.169 0.000 2.509 293 L HA 0.095 4.030 4.340 -0.676 0.000 0.222 293 L C 2.008 178.987 176.870 0.182 0.000 1.123 293 L CA 0.288 55.326 54.840 0.330 0.000 0.856 293 L CB -0.536 41.791 42.059 0.446 0.000 0.985 293 L HN 0.530 nan 8.230 nan 0.000 0.456 294 V N 1.162 121.133 119.914 0.095 0.000 2.231 294 V HA -0.214 3.500 4.120 -0.676 0.000 0.250 294 V C -0.001 176.085 176.094 -0.013 0.000 1.058 294 V CA 2.266 64.574 62.300 0.014 0.000 1.022 294 V CB -1.692 30.143 31.823 0.019 0.000 0.640 294 V HN 0.346 nan 8.190 nan 0.000 0.445 295 P HA -0.170 nan 4.420 nan 0.000 0.216 295 P C 1.912 179.229 177.300 0.028 0.000 1.150 295 P CA 1.702 64.828 63.100 0.043 0.000 0.843 295 P CB -0.126 31.628 31.700 0.089 0.000 0.787 296 M N -1.959 117.677 119.600 0.061 0.000 2.200 296 M HA -0.106 3.969 4.480 -0.676 0.000 0.265 296 M C 2.390 178.581 176.300 -0.182 0.000 1.066 296 M CA 1.381 56.722 55.300 0.068 0.000 1.127 296 M CB -0.451 32.312 32.600 0.271 0.000 1.379 296 M HN -0.193 nan 8.290 nan 0.000 0.420 297 R N 1.296 121.465 120.500 -0.552 0.000 2.092 297 R HA -0.095 3.839 4.340 -0.676 0.000 0.231 297 R C 1.739 177.828 176.300 -0.351 0.000 1.119 297 R CA 1.581 57.106 56.100 -0.958 0.000 0.970 297 R CB -0.193 29.585 30.300 -0.870 0.000 0.864 297 R HN 0.380 nan 8.270 nan 0.000 0.440 298 K N -0.419 119.868 120.400 -0.189 0.000 2.097 298 K HA -0.020 3.894 4.320 -0.676 0.000 0.205 298 K C 1.978 178.546 176.600 -0.052 0.000 1.050 298 K CA 1.302 57.532 56.287 -0.095 0.000 0.938 298 K CB -0.041 32.427 32.500 -0.054 0.000 0.718 298 K HN 0.144 nan 8.250 nan 0.000 0.442 299 A N 0.389 123.199 122.820 -0.017 0.000 2.016 299 A HA -0.083 3.831 4.320 -0.676 0.000 0.217 299 A C 0.640 178.270 177.584 0.077 0.000 1.162 299 A CA 0.333 52.387 52.037 0.029 0.000 0.662 299 A CB -0.266 18.768 19.000 0.056 0.000 0.812 299 A HN 0.338 nan 8.150 nan 0.000 0.450 300 Y N 0.873 121.140 120.300 -0.054 0.000 2.316 300 Y HA 0.271 4.422 4.550 -0.665 0.000 0.331 300 Y C 1.031 176.928 175.900 -0.005 0.000 1.083 300 Y CA -0.345 57.759 58.100 0.006 0.000 1.206 300 Y CB 0.836 39.353 38.460 0.095 0.000 1.195 300 Y HN 0.087 nan 8.280 nan 0.000 0.497 301 K N 3.792 123.820 120.400 -0.619 0.000 2.361 301 K HA 0.139 4.054 4.320 -0.676 0.000 0.196 301 K C 0.893 177.164 176.600 -0.548 0.000 1.039 301 K CA 0.460 56.468 56.287 -0.465 0.000 1.001 301 K CB 0.394 32.725 32.500 -0.281 0.000 0.795 301 K HN 0.823 nan 8.250 nan 0.000 0.495 302 G N 0.609 108.757 108.800 -1.086 0.000 2.606 302 G HA2 0.120 3.675 3.960 -0.676 0.000 0.262 302 G HA3 0.120 3.675 3.960 -0.676 0.000 0.262 302 G C -0.596 174.314 174.900 0.017 0.000 1.394 302 G CA -0.529 44.314 45.100 -0.429 0.000 1.044 302 G HN -0.072 nan 8.290 nan 0.000 0.553 303 T N 0.684 115.389 114.554 0.252 0.000 2.867 303 T HA 0.204 4.148 4.350 -0.676 0.000 0.297 303 T C -0.978 174.019 174.700 0.496 0.000 0.989 303 T CA 0.605 62.886 62.100 0.302 0.000 1.159 303 T CB 0.149 69.155 68.868 0.229 0.000 0.928 303 T HN 0.227 nan 8.240 nan 0.000 0.538 304 F N 4.514 124.578 119.950 0.190 0.000 2.426 304 F HA 0.569 4.705 4.527 -0.652 0.000 0.348 304 F C -0.449 175.326 175.800 -0.042 0.000 1.124 304 F CA -1.436 56.648 58.000 0.140 0.000 1.008 304 F CB 0.629 39.730 39.000 0.167 0.000 1.139 304 F HN 0.412 nan 8.300 nan 0.000 0.452 305 I N 7.154 127.467 120.570 -0.428 0.000 2.378 305 I HA 0.439 4.203 4.170 -0.676 0.000 0.291 305 I C -0.706 175.070 176.117 -0.568 0.000 0.992 305 I CA -1.158 59.806 61.300 -0.561 0.000 1.154 305 I CB 1.621 39.051 38.000 -0.950 0.000 1.315 305 I HN 0.366 nan 8.210 nan 0.000 0.448 306 V N 2.941 122.614 119.914 -0.402 0.000 2.769 306 V HA 1.022 4.736 4.120 -0.676 0.000 0.312 306 V C -0.199 175.748 176.094 -0.245 0.000 1.058 306 V CA -0.419 61.743 62.300 -0.231 0.000 0.952 306 V CB 1.565 33.350 31.823 -0.064 0.000 1.019 306 V HN 0.878 nan 8.190 nan 0.000 0.445 307 A N 1.601 124.423 122.820 0.003 0.000 2.594 307 A HA 0.999 4.913 4.320 -0.676 0.000 0.295 307 A C 0.010 177.701 177.584 0.179 0.000 1.071 307 A CA -0.341 51.720 52.037 0.040 0.000 0.685 307 A CB 1.463 20.554 19.000 0.152 0.000 1.285 307 A HN 2.803 nan 8.150 nan 0.000 0.405 308 G N -0.301 108.618 108.800 0.199 0.000 2.949 308 G HA2 0.541 4.096 3.960 -0.676 0.000 0.658 308 G HA3 0.541 4.096 3.960 -0.676 0.000 0.658 308 G C 1.102 176.082 174.900 0.134 0.000 1.194 308 G CA 0.808 46.004 45.100 0.161 0.000 1.204 308 G HN 2.827 nan 8.290 nan 0.000 0.524 309 G N -0.015 108.850 108.800 0.109 0.000 2.143 309 G HA2 -0.208 3.346 3.960 -0.676 0.000 0.248 309 G HA3 -0.208 3.346 3.960 -0.676 0.000 0.248 309 G C 0.487 175.397 174.900 0.016 0.000 0.991 309 G CA 0.965 46.097 45.100 0.054 0.000 0.689 309 G HN 1.530 nan 8.290 nan 0.000 0.522 310 Y N 1.472 121.790 120.300 0.031 0.000 2.301 310 Y HA 0.494 4.637 4.550 -0.677 0.000 0.328 310 Y C 0.983 177.078 175.900 0.325 0.000 1.242 310 Y CA 0.211 58.350 58.100 0.065 0.000 1.323 310 Y CB 1.051 39.392 38.460 -0.198 0.000 1.266 310 Y HN 0.437 nan 8.280 nan 0.000 0.527 311 D N -0.518 120.157 120.400 0.458 0.000 2.801 311 D HA 0.283 4.517 4.640 -0.676 0.000 0.277 311 D C 0.766 177.138 176.300 0.119 0.000 1.125 311 D CA -0.857 53.357 54.000 0.357 0.000 1.102 311 D CB 0.462 41.363 40.800 0.168 0.000 1.400 311 D HN 0.350 nan 8.370 nan 0.000 0.601 312 R N -0.307 120.016 120.500 -0.295 0.000 2.075 312 R HA -0.119 3.815 4.340 -0.676 0.000 0.232 312 R C 1.842 177.943 176.300 -0.331 0.000 1.126 312 R CA 1.467 57.056 56.100 -0.852 0.000 0.963 312 R CB -0.092 29.682 30.300 -0.877 0.000 0.858 312 R HN 0.635 nan 8.270 nan 0.000 0.435 313 E N 0.314 120.427 120.200 -0.144 0.000 2.017 313 E HA -0.207 3.738 4.350 -0.676 0.000 0.193 313 E C 1.252 177.851 176.600 -0.001 0.000 0.997 313 E CA 1.788 58.149 56.400 -0.065 0.000 0.804 313 E CB -0.061 29.617 29.700 -0.036 0.000 0.757 313 E HN 0.334 nan 8.360 nan 0.000 0.448 314 D N -0.282 120.143 120.400 0.042 0.000 2.190 314 D HA -0.138 4.096 4.640 -0.676 0.000 0.200 314 D C 1.697 178.176 176.300 0.299 0.000 0.992 314 D CA 1.194 55.248 54.000 0.090 0.000 0.854 314 D CB -0.646 40.121 40.800 -0.055 0.000 0.936 314 D HN 0.382 nan 8.370 nan 0.000 0.462 315 G N 0.894 109.876 108.800 0.303 0.000 2.434 315 G HA2 -0.256 3.298 3.960 -0.676 0.000 0.214 315 G HA3 -0.256 3.298 3.960 -0.676 0.000 0.214 315 G C 1.626 176.579 174.900 0.088 0.000 1.202 315 G CA 0.358 45.591 45.100 0.222 0.000 0.788 315 G HN 0.169 nan 8.290 nan 0.000 0.539 316 N N 0.576 119.286 118.700 0.017 0.000 2.104 316 N HA -0.086 4.248 4.740 -0.676 0.000 0.190 316 N C 2.308 177.836 175.510 0.029 0.000 1.024 316 N CA 0.822 53.873 53.050 0.001 0.000 0.853 316 N CB -0.295 38.170 38.487 -0.037 0.000 1.008 316 N HN 0.307 nan 8.380 nan 0.000 0.424 317 R N 0.721 121.248 120.500 0.046 0.000 2.070 317 R HA -0.028 3.906 4.340 -0.676 0.000 0.233 317 R C 2.308 178.653 176.300 0.074 0.000 1.137 317 R CA 1.442 57.572 56.100 0.050 0.000 0.945 317 R CB -0.388 29.939 30.300 0.044 0.000 0.845 317 R HN 0.191 nan 8.270 nan 0.000 0.430 318 A N 1.031 123.930 122.820 0.132 0.000 1.917 318 A HA -0.191 3.724 4.320 -0.676 0.000 0.219 318 A C 2.171 179.805 177.584 0.083 0.000 1.182 318 A CA 1.427 53.553 52.037 0.149 0.000 0.633 318 A CB -0.642 18.517 19.000 0.265 0.000 0.819 318 A HN 0.233 nan 8.150 nan 0.000 0.448 319 L N -1.513 119.744 121.223 0.055 0.000 2.056 319 L HA -0.132 3.802 4.340 -0.676 0.000 0.207 319 L C 2.447 179.336 176.870 0.031 0.000 1.078 319 L CA 0.954 55.815 54.840 0.034 0.000 0.749 319 L CB -0.381 41.691 42.059 0.023 0.000 0.901 319 L HN 0.338 nan 8.230 nan 0.000 0.433 320 I N 0.005 120.593 120.570 0.030 0.000 2.394 320 I HA -0.219 3.545 4.170 -0.676 0.000 0.251 320 I C 1.955 178.085 176.117 0.022 0.000 1.136 320 I CA 1.476 62.789 61.300 0.022 0.000 1.425 320 I CB -0.185 37.825 38.000 0.017 0.000 1.079 320 I HN 0.190 nan 8.210 nan 0.000 0.425 321 E N -0.258 119.960 120.200 0.030 0.000 2.403 321 E HA -0.073 3.871 4.350 -0.676 0.000 0.187 321 E C 0.163 176.778 176.600 0.025 0.000 1.073 321 E CA 0.312 56.727 56.400 0.026 0.000 0.888 321 E CB -0.043 29.677 29.700 0.033 0.000 1.035 321 E HN 0.317 nan 8.360 nan 0.000 0.471 322 D N 0.263 120.678 120.400 0.025 0.000 2.983 322 D HA -0.236 3.999 4.640 -0.676 0.000 0.225 322 D C 0.705 177.018 176.300 0.021 0.000 1.174 322 D CA 0.795 54.806 54.000 0.018 0.000 0.831 322 D CB -0.577 40.224 40.800 0.002 0.000 1.104 322 D HN 0.180 nan 8.370 nan 0.000 0.421 323 R N -0.580 119.952 120.500 0.052 0.000 2.240 323 R HA 0.482 4.416 4.340 -0.676 0.000 0.203 323 R C 0.770 177.165 176.300 0.158 0.000 1.011 323 R CA 1.152 57.302 56.100 0.084 0.000 1.007 323 R CB 0.519 30.894 30.300 0.124 0.000 0.911 323 R HN 0.242 nan 8.270 nan 0.000 0.468 324 A N -0.673 122.231 122.820 0.140 0.000 2.586 324 A HA 0.289 4.203 4.320 -0.676 0.000 0.290 324 A C -1.097 176.545 177.584 0.098 0.000 1.086 324 A CA -0.865 51.292 52.037 0.200 0.000 0.665 324 A CB 1.066 20.141 19.000 0.125 0.000 1.279 324 A HN -0.008 nan 8.150 nan 0.000 0.423 325 D N -0.461 119.993 120.400 0.091 0.000 2.422 325 D HA 0.270 4.504 4.640 -0.676 0.000 0.218 325 D C 0.004 176.288 176.300 -0.027 0.000 1.047 325 D CA 0.961 54.984 54.000 0.038 0.000 0.885 325 D CB 0.567 41.404 40.800 0.061 0.000 1.035 325 D HN 0.387 nan 8.370 nan 0.000 0.502 326 L N 0.657 121.827 121.223 -0.088 0.000 2.409 326 L HA 0.468 4.403 4.340 -0.676 0.000 0.262 326 L C -1.036 175.676 176.870 -0.262 0.000 0.992 326 L CA -0.945 53.793 54.840 -0.170 0.000 0.817 326 L CB 3.323 45.227 42.059 -0.258 0.000 1.350 326 L HN -0.367 nan 8.230 nan 0.000 0.411 327 V N 1.384 121.147 119.914 -0.252 0.000 2.444 327 V HA 0.664 4.379 4.120 -0.676 0.000 0.294 327 V C 0.048 175.919 176.094 -0.371 0.000 1.022 327 V CA -0.610 61.425 62.300 -0.442 0.000 0.850 327 V CB 1.597 33.122 31.823 -0.497 0.000 0.992 327 V HN 0.822 nan 8.190 nan 0.000 0.426 328 A N 4.594 127.140 122.820 -0.458 0.000 2.309 328 A HA 0.821 4.736 4.320 -0.676 0.000 0.298 328 A C -1.250 176.170 177.584 -0.273 0.000 1.165 328 A CA -0.245 51.655 52.037 -0.228 0.000 0.821 328 A CB 0.401 19.307 19.000 -0.157 0.000 1.102 328 A HN 0.740 nan 8.150 nan 0.000 0.500 329 Y N 1.088 121.467 120.300 0.132 0.000 2.350 329 Y HA 0.507 4.653 4.550 -0.673 0.000 0.338 329 Y C 1.184 177.171 175.900 0.146 0.000 0.961 329 Y CA 0.318 58.514 58.100 0.159 0.000 1.100 329 Y CB 2.450 41.010 38.460 0.167 0.000 1.179 329 Y HN 0.791 nan 8.280 nan 0.000 0.454 330 G N 2.186 111.085 108.800 0.164 0.000 2.600 330 G HA2 0.012 3.566 3.960 -0.676 0.000 0.225 330 G HA3 0.012 3.566 3.960 -0.676 0.000 0.225 330 G C 1.268 176.103 174.900 -0.108 0.000 1.623 330 G CA -0.173 44.930 45.100 0.006 0.000 0.903 330 G HN 0.606 nan 8.290 nan 0.000 0.574 331 R N -0.059 120.275 120.500 -0.277 0.000 2.119 331 R HA -0.019 3.916 4.340 -0.676 0.000 0.246 331 R C 2.631 178.705 176.300 -0.377 0.000 1.146 331 R CA 1.209 56.946 56.100 -0.605 0.000 0.962 331 R CB -0.570 29.116 30.300 -1.023 0.000 0.863 331 R HN 0.274 nan 8.270 nan 0.000 0.442 332 L N -0.914 120.265 121.223 -0.073 0.000 2.201 332 L HA -0.148 3.787 4.340 -0.676 0.000 0.212 332 L C 2.009 178.801 176.870 -0.129 0.000 1.105 332 L CA 0.753 55.603 54.840 0.018 0.000 0.775 332 L CB -0.213 41.879 42.059 0.055 0.000 0.913 332 L HN 0.138 nan 8.230 nan 0.000 0.440 333 F N -0.026 119.814 119.950 -0.184 0.000 2.512 333 F HA -0.018 4.108 4.527 -0.668 0.000 0.296 333 F C 2.148 177.770 175.800 -0.296 0.000 1.110 333 F CA 0.560 58.417 58.000 -0.240 0.000 1.446 333 F CB -0.088 38.823 39.000 -0.150 0.000 1.092 333 F HN -0.075 nan 8.300 nan 0.000 0.554 334 I N -0.681 119.829 120.570 -0.099 0.000 2.163 334 I HA -0.277 3.487 4.170 -0.676 0.000 0.240 334 I C 2.318 178.109 176.117 -0.543 0.000 1.081 334 I CA 1.759 62.931 61.300 -0.213 0.000 1.353 334 I CB -0.495 37.330 38.000 -0.293 0.000 1.054 334 I HN 0.112 nan 8.210 nan 0.000 0.407 335 S N -0.589 114.679 115.700 -0.720 0.000 2.558 335 S HA 0.114 4.179 4.470 -0.676 0.000 0.217 335 S C 0.565 174.778 174.600 -0.644 0.000 0.975 335 S CA -0.162 57.205 58.200 -1.388 0.000 0.912 335 S CB -0.189 62.624 63.200 -0.644 0.000 0.776 335 S HN 0.330 nan 8.310 nan 0.000 0.526 336 N N 2.176 120.621 118.700 -0.424 0.000 2.617 336 N HA 0.285 4.620 4.740 -0.676 0.000 0.263 336 N C -2.693 172.580 175.510 -0.395 0.000 1.074 336 N CA -1.277 51.543 53.050 -0.383 0.000 0.841 336 N CB 2.153 40.385 38.487 -0.425 0.000 1.221 336 N HN 0.061 nan 8.380 nan 0.000 0.529 337 P HA -0.120 nan 4.420 nan 0.000 0.215 337 P C 0.145 177.214 177.300 -0.385 0.000 1.153 337 P CA 1.437 64.216 63.100 -0.536 0.000 0.853 337 P CB 0.154 31.102 31.700 -1.252 0.000 0.788 338 D N -0.760 119.357 120.400 -0.472 0.000 3.072 338 D HA 0.035 4.270 4.640 -0.676 0.000 0.250 338 D C 1.389 177.428 176.300 -0.436 0.000 1.304 338 D CA -0.364 53.486 54.000 -0.249 0.000 0.861 338 D CB -1.004 39.789 40.800 -0.010 0.000 1.062 338 D HN 0.095 nan 8.370 nan 0.000 0.481 339 L N 0.028 120.816 121.223 -0.725 0.000 2.013 339 L HA -0.135 3.800 4.340 -0.676 0.000 0.212 339 L C -0.640 175.626 176.870 -1.007 0.000 1.073 339 L CA 1.923 56.098 54.840 -1.108 0.000 0.753 339 L CB -0.899 40.100 42.059 -1.767 0.000 0.890 339 L HN 0.117 nan 8.230 nan 0.000 0.432 340 P HA -0.191 nan 4.420 nan 0.000 0.215 340 P C 1.302 178.402 177.300 -0.333 0.000 1.157 340 P CA 1.261 64.055 63.100 -0.511 0.000 0.868 340 P CB 0.038 31.395 31.700 -0.570 0.000 0.788 341 K N 0.188 120.426 120.400 -0.270 0.000 2.063 341 K HA -0.121 3.794 4.320 -0.676 0.000 0.208 341 K C 2.103 178.617 176.600 -0.142 0.000 1.048 341 K CA 1.562 57.757 56.287 -0.154 0.000 0.928 341 K CB -0.541 31.906 32.500 -0.088 0.000 0.713 341 K HN -0.046 nan 8.250 nan 0.000 0.442 342 R N -1.038 119.323 120.500 -0.231 0.000 2.115 342 R HA -0.076 3.858 4.340 -0.676 0.000 0.230 342 R C 2.097 178.370 176.300 -0.044 0.000 1.111 342 R CA 1.153 57.144 56.100 -0.181 0.000 0.976 342 R CB -0.308 29.816 30.300 -0.293 0.000 0.870 342 R HN 0.158 nan 8.270 nan 0.000 0.445 343 F N 1.223 121.047 119.950 -0.210 0.000 2.128 343 F HA -0.087 4.032 4.527 -0.680 0.000 0.295 343 F C 2.469 178.193 175.800 -0.128 0.000 1.100 343 F CA 0.874 58.763 58.000 -0.185 0.000 1.260 343 F CB -0.914 37.941 39.000 -0.243 0.000 1.009 343 F HN 0.095 nan 8.300 nan 0.000 0.476 344 E N 0.341 120.582 120.200 0.069 0.000 2.160 344 E HA -0.198 3.747 4.350 -0.676 0.000 0.195 344 E C 1.608 178.214 176.600 0.010 0.000 0.991 344 E CA 1.194 57.603 56.400 0.015 0.000 0.810 344 E CB -0.192 29.493 29.700 -0.025 0.000 0.742 344 E HN 0.408 nan 8.360 nan 0.000 0.466 345 L N 0.219 121.446 121.223 0.007 0.000 2.693 345 L HA 0.162 4.096 4.340 -0.676 0.000 0.235 345 L C 0.478 177.356 176.870 0.013 0.000 1.127 345 L CA -0.185 54.657 54.840 0.003 0.000 0.914 345 L CB -0.047 42.007 42.059 -0.008 0.000 1.193 345 L HN 0.127 nan 8.230 nan 0.000 0.502 346 N N 1.379 120.100 118.700 0.036 0.000 2.714 346 N HA -0.199 4.135 4.740 -0.676 0.000 0.252 346 N C -0.058 175.470 175.510 0.029 0.000 1.014 346 N CA 0.688 53.764 53.050 0.043 0.000 0.735 346 N CB -0.417 38.079 38.487 0.015 0.000 0.924 346 N HN 0.460 nan 8.380 nan 0.000 0.540 347 A N 0.010 122.842 122.820 0.020 0.000 2.257 347 A HA 0.706 4.620 4.320 -0.676 0.000 0.289 347 A C -1.807 175.776 177.584 -0.000 0.000 1.095 347 A CA -0.912 51.124 52.037 -0.000 0.000 0.836 347 A CB 0.245 19.233 19.000 -0.020 0.000 1.111 347 A HN 0.326 nan 8.150 nan 0.000 0.497 348 P HA 0.410 nan 4.420 nan 0.000 0.272 348 P C -1.067 176.215 177.300 -0.030 0.000 1.240 348 P CA -0.015 63.080 63.100 -0.008 0.000 0.791 348 P CB 0.371 32.067 31.700 -0.007 0.000 0.978 349 L N 1.691 122.896 121.223 -0.029 0.000 2.346 349 L HA 0.413 4.348 4.340 -0.676 0.000 0.274 349 L C 0.337 177.181 176.870 -0.043 0.000 1.007 349 L CA -1.042 53.761 54.840 -0.061 0.000 0.818 349 L CB 1.289 43.319 42.059 -0.050 0.000 1.284 349 L HN 0.279 nan 8.230 nan 0.000 0.424 350 N N 1.739 120.409 118.700 -0.051 0.000 2.518 350 N HA 0.196 4.531 4.740 -0.676 0.000 0.266 350 N C 0.092 175.600 175.510 -0.004 0.000 1.196 350 N CA -0.080 52.972 53.050 0.003 0.000 0.947 350 N CB 0.957 39.477 38.487 0.055 0.000 1.098 350 N HN 0.614 nan 8.380 nan 0.000 0.450 351 K N 1.058 121.461 120.400 0.004 0.000 2.202 351 K HA 0.284 4.199 4.320 -0.676 0.000 0.264 351 K C -0.393 176.231 176.600 0.039 0.000 1.010 351 K CA -0.171 56.058 56.287 -0.096 0.000 0.940 351 K CB -0.118 32.319 32.500 -0.104 0.000 0.983 351 K HN 0.636 nan 8.250 nan 0.000 0.475 352 Y N -0.894 119.479 120.300 0.121 0.000 2.387 352 Y HA 0.566 4.717 4.550 -0.665 0.000 0.336 352 Y C -0.017 176.001 175.900 0.197 0.000 1.067 352 Y CA -2.421 55.802 58.100 0.205 0.000 1.114 352 Y CB 1.348 39.928 38.460 0.200 0.000 1.208 352 Y HN 0.567 nan 8.280 nan 0.000 0.458 353 N N 3.239 122.205 118.700 0.443 0.000 2.589 353 N HA 0.146 4.481 4.740 -0.676 0.000 0.232 353 N C 0.905 176.274 175.510 -0.236 0.000 1.015 353 N CA -0.812 52.310 53.050 0.120 0.000 0.931 353 N CB 0.524 39.074 38.487 0.106 0.000 1.150 353 N HN 0.858 nan 8.380 nan 0.000 0.512 354 R N 1.751 121.849 120.500 -0.671 0.000 2.261 354 R HA -0.109 3.825 4.340 -0.676 0.000 0.236 354 R C -0.098 175.717 176.300 -0.808 0.000 1.141 354 R CA 1.153 56.209 56.100 -1.740 0.000 1.001 354 R CB -0.110 29.633 30.300 -0.929 0.000 0.866 354 R HN 0.389 nan 8.270 nan 0.000 0.468 355 D N 1.262 121.465 120.400 -0.328 0.000 2.264 355 D HA -0.082 4.153 4.640 -0.676 0.000 0.208 355 D C 1.067 177.347 176.300 -0.033 0.000 0.966 355 D CA 1.861 55.794 54.000 -0.111 0.000 0.864 355 D CB 0.193 40.962 40.800 -0.051 0.000 0.933 355 D HN 0.547 nan 8.370 nan 0.000 0.499 356 T N -2.551 111.986 114.554 -0.028 0.000 3.174 356 T HA 0.107 4.052 4.350 -0.676 0.000 0.269 356 T C 1.430 176.249 174.700 0.198 0.000 1.017 356 T CA -0.467 61.686 62.100 0.088 0.000 0.899 356 T CB -0.231 68.691 68.868 0.090 0.000 1.077 356 T HN -0.198 nan 8.240 nan 0.000 0.552 357 F N 1.888 121.794 119.950 -0.073 0.000 2.102 357 F HA 0.109 4.240 4.527 -0.661 0.000 0.298 357 F C 1.363 176.938 175.800 -0.376 0.000 1.105 357 F CA 0.411 58.214 58.000 -0.328 0.000 1.239 357 F CB -0.744 37.826 39.000 -0.716 0.000 0.991 357 F HN 0.312 nan 8.300 nan 0.000 0.474 358 Y N -0.502 119.976 120.300 0.297 0.000 2.467 358 Y HA 0.171 4.307 4.550 -0.690 0.000 0.250 358 Y C 1.328 177.308 175.900 0.132 0.000 1.155 358 Y CA -0.604 57.609 58.100 0.189 0.000 1.249 358 Y CB -1.232 37.354 38.460 0.211 0.000 1.146 358 Y HN -0.150 nan 8.280 nan 0.000 0.524 359 T N -1.583 113.101 114.554 0.216 0.000 2.748 359 T HA 0.089 4.033 4.350 -0.676 0.000 0.304 359 T C 1.221 175.978 174.700 0.095 0.000 1.041 359 T CA 0.092 62.276 62.100 0.140 0.000 1.033 359 T CB 1.166 70.090 68.868 0.093 0.000 0.995 359 T HN 0.269 nan 8.240 nan 0.000 0.536 360 S N -1.924 113.820 115.700 0.073 0.000 2.575 360 S HA 0.203 4.268 4.470 -0.676 0.000 0.237 360 S C -0.177 174.449 174.600 0.044 0.000 0.975 360 S CA -0.666 57.583 58.200 0.081 0.000 0.960 360 S CB -0.490 62.772 63.200 0.104 0.000 0.822 360 S HN 0.789 nan 8.310 nan 0.000 0.472 361 D N 2.423 122.814 120.400 -0.015 0.000 2.345 361 D HA 0.326 4.561 4.640 -0.676 0.000 0.247 361 D C -1.715 174.492 176.300 -0.154 0.000 1.108 361 D CA -1.991 51.983 54.000 -0.043 0.000 0.894 361 D CB 1.319 42.104 40.800 -0.025 0.000 1.203 361 D HN -0.024 nan 8.370 nan 0.000 0.430 362 P HA -0.001 nan 4.420 nan 0.000 0.226 362 P C 0.397 177.612 177.300 -0.142 0.000 1.153 362 P CA 1.001 63.791 63.100 -0.516 0.000 0.777 362 P CB 0.341 31.854 31.700 -0.312 0.000 0.794 363 I N -2.830 117.730 120.570 -0.018 0.000 3.632 363 I HA 0.016 3.781 4.170 -0.676 0.000 0.246 363 I C 0.132 176.291 176.117 0.070 0.000 1.125 363 I CA -0.002 61.341 61.300 0.072 0.000 1.519 363 I CB -0.294 37.733 38.000 0.045 0.000 1.555 363 I HN -0.487 nan 8.210 nan 0.000 0.452 364 V N 3.587 123.511 119.914 0.017 0.000 2.536 364 V HA 0.013 3.727 4.120 -0.676 0.000 0.287 364 V C 1.227 177.330 176.094 0.015 0.000 0.979 364 V CA 1.502 63.796 62.300 -0.010 0.000 1.161 364 V CB -0.976 30.837 31.823 -0.017 0.000 0.915 364 V HN 0.830 nan 8.190 nan 0.000 0.467 365 G N 3.861 112.638 108.800 -0.038 0.000 2.143 365 G HA2 -0.346 3.208 3.960 -0.676 0.000 0.249 365 G HA3 -0.346 3.208 3.960 -0.676 0.000 0.249 365 G C 0.233 175.318 174.900 0.307 0.000 0.981 365 G CA 0.627 45.759 45.100 0.054 0.000 0.665 365 G HN 0.915 nan 8.290 nan 0.000 0.528 366 Y N -0.013 120.329 120.300 0.069 0.000 2.723 366 Y HA 0.271 4.411 4.550 -0.684 0.000 0.272 366 Y C 2.248 178.263 175.900 0.193 0.000 1.142 366 Y CA 1.984 60.120 58.100 0.060 0.000 1.217 366 Y CB 0.584 38.993 38.460 -0.085 0.000 1.391 366 Y HN 0.526 nan 8.280 nan 0.000 0.479 367 T N -3.051 111.595 114.554 0.153 0.000 3.144 367 T HA 0.149 4.093 4.350 -0.676 0.000 0.290 367 T C 0.299 175.055 174.700 0.094 0.000 0.966 367 T CA 0.308 62.463 62.100 0.092 0.000 0.907 367 T CB -0.090 68.829 68.868 0.085 0.000 1.152 367 T HN 0.316 nan 8.240 nan 0.000 0.532 368 D N 0.124 120.547 120.400 0.040 0.000 2.342 368 D HA 0.063 4.297 4.640 -0.676 0.000 0.221 368 D C -0.383 175.876 176.300 -0.069 0.000 1.101 368 D CA -0.511 53.476 54.000 -0.022 0.000 0.837 368 D CB -0.518 40.240 40.800 -0.070 0.000 0.938 368 D HN 0.392 nan 8.370 nan 0.000 0.508 369 Y N 2.354 122.657 120.300 0.006 0.000 2.359 369 Y HA 0.273 4.419 4.550 -0.674 0.000 0.334 369 Y C -1.673 174.187 175.900 -0.067 0.000 1.058 369 Y CA -1.996 56.086 58.100 -0.030 0.000 1.244 369 Y CB 0.731 39.157 38.460 -0.057 0.000 1.187 369 Y HN -0.054 nan 8.280 nan 0.000 0.510 370 P HA 0.117 nan 4.420 nan 0.000 0.274 370 P C -0.822 176.503 177.300 0.042 0.000 1.231 370 P CA -0.081 63.088 63.100 0.116 0.000 0.790 370 P CB 0.935 32.697 31.700 0.104 0.000 0.951 371 F N 0.192 120.149 119.950 0.012 0.000 2.362 371 F HA 0.261 4.384 4.527 -0.674 0.000 0.311 371 F C 1.346 177.134 175.800 -0.021 0.000 1.161 371 F CA -0.622 57.368 58.000 -0.017 0.000 1.085 371 F CB 0.034 39.020 39.000 -0.022 0.000 1.311 371 F HN 0.093 nan 8.300 nan 0.000 0.524 372 L N 1.300 122.629 121.223 0.177 0.000 2.514 372 L HA 0.206 4.141 4.340 -0.676 0.000 0.280 372 L C 0.718 177.635 176.870 0.078 0.000 1.223 372 L CA 0.027 54.915 54.840 0.081 0.000 0.864 372 L CB -0.020 42.066 42.059 0.044 0.000 1.118 372 L HN 0.804 nan 8.230 nan 0.000 0.494 373 E N 0.000 120.228 120.200 0.047 0.000 2.725 373 E HA 0.000 3.944 4.350 -0.676 0.000 0.291 373 E CA 0.000 56.420 56.400 0.033 0.000 0.976 373 E CB 0.000 29.716 29.700 0.026 0.000 0.812 373 E HN 0.000 nan 8.360 nan 0.000 0.440