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 1ozg_1_A DATA FIRST_RESID 6 DATA SEQUENCE PVRQWAHGAD LVVSQLEAQG VRQVFGIPGA KIDKVFDSLL DSSIRIIPVR DATA SEQUENCE HEANAAFMAA AVGRITGKAG VALVTSGPGC SNLITGMATA NSEGDPVVAL DATA SEQUENCE GGAVKRADKA KQVHQSMDTV AMFSPVTKYA IEVTAPDALA EVVSNAFRAA DATA SEQUENCE EQGRPGSAFV SLPQDVVDGP VSGKVLPASG APQMGAAPDD AIDQVAKLIA DATA SEQUENCE QAKNPIFLLG LMASQPENSK ALRRLLETSH IPVTSTYQAA GAVNQDNFSR DATA SEQUENCE FAGRVGLFNN QAGDRLLQLA DLVICIGYSP VEYEPAMWNS GNATLVHIDV DATA SEQUENCE LPAYEERNYT PDVELVGDIA GTLNKLAQNI DHRLVLSPQA AEILRDRQHQ DATA SEQUENCE RELLDRRGAQ LNQFALHPLR IVRAMQDIVN SDVTLTVDMG SFHIWIARYL DATA SEQUENCE YTFRARQVMI SNGQQTMGVA LPWAIGAWLV NPERKVVSVS GDGGFLQSSM DATA SEQUENCE ELETAVRLKA NVLHLIWVDN GYNMVAIQEE KKYQRLSGVE FGPMDFKAYA DATA SEQUENCE ESFGAKGFAV ESAEALEPTL RAAMDVDGPA VVAIPVDYRD NPLLMGQLH 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.326 177.300 0.044 0.000 1.155 6 P CA 0.000 63.114 63.100 0.024 0.000 0.800 6 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 7 V N 3.708 123.645 119.914 0.038 0.000 2.425 7 V HA 0.147 4.267 4.120 0.000 0.000 0.276 7 V C 1.075 177.169 176.094 -0.002 0.000 1.017 7 V CA 0.436 62.772 62.300 0.059 0.000 1.062 7 V CB -0.403 31.447 31.823 0.045 0.000 0.997 7 V HN 0.442 nan 8.190 nan 0.000 0.476 8 R N 3.672 124.158 120.500 -0.024 0.000 2.856 8 R HA 0.591 4.931 4.340 0.000 0.000 0.258 8 R C -0.868 175.268 176.300 -0.274 0.000 1.066 8 R CA -1.054 54.881 56.100 -0.274 0.000 1.045 8 R CB 1.145 31.039 30.300 -0.676 0.000 1.178 8 R HN 0.473 nan 8.270 nan 0.000 0.499 9 Q N 0.978 120.571 119.800 -0.345 0.000 2.340 9 Q HA 0.193 4.533 4.340 0.000 0.000 0.259 9 Q C -1.257 174.569 176.000 -0.290 0.000 0.964 9 Q CA -0.007 55.687 55.803 -0.182 0.000 0.900 9 Q CB 1.053 29.719 28.738 -0.121 0.000 1.228 9 Q HN 0.386 nan 8.270 nan 0.000 0.449 10 W N 0.582 121.857 121.300 -0.040 0.000 2.433 10 W HA 0.502 5.162 4.660 0.000 0.000 0.315 10 W C 1.103 177.561 176.519 -0.102 0.000 1.087 10 W CA -0.665 56.651 57.345 -0.048 0.000 1.205 10 W CB 1.068 30.516 29.460 -0.020 0.000 1.288 10 W HN 0.725 nan 8.180 nan 0.000 0.504 11 A N 2.065 124.902 122.820 0.028 0.000 1.972 11 A HA -0.073 4.247 4.320 0.000 0.000 0.219 11 A C 0.379 177.658 177.584 -0.507 0.000 1.169 11 A CA 1.278 53.142 52.037 -0.287 0.000 0.635 11 A CB -0.500 18.255 19.000 -0.408 0.000 0.810 11 A HN 0.638 nan 8.150 nan 0.000 0.446 12 H N -3.323 115.844 119.070 0.161 0.000 2.894 12 H HA 0.355 4.911 4.556 0.000 0.000 0.367 12 H C 1.141 176.507 175.328 0.064 0.000 1.144 12 H CA -0.263 55.843 56.048 0.097 0.000 1.180 12 H CB 1.276 31.081 29.762 0.071 0.000 1.758 12 H HN 0.097 nan 8.280 nan 0.000 0.541 13 G N 0.995 109.869 108.800 0.123 0.000 2.448 13 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 13 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 13 G C 1.514 176.375 174.900 -0.065 0.000 1.127 13 G CA 0.858 45.947 45.100 -0.019 0.000 0.766 13 G HN 0.650 nan 8.290 nan 0.000 0.552 14 A N 1.272 124.103 122.820 0.017 0.000 1.933 14 A HA -0.078 4.242 4.320 0.000 0.000 0.218 14 A C 2.070 179.629 177.584 -0.042 0.000 1.175 14 A CA 2.013 54.038 52.037 -0.021 0.000 0.628 14 A CB -0.308 18.689 19.000 -0.005 0.000 0.814 14 A HN 0.296 nan 8.150 nan 0.000 0.444 15 D N -0.470 119.951 120.400 0.034 0.000 2.144 15 D HA -0.107 4.533 4.640 0.000 0.000 0.200 15 D C 1.836 177.980 176.300 -0.260 0.000 0.978 15 D CA 1.196 55.232 54.000 0.059 0.000 0.833 15 D CB -0.350 40.655 40.800 0.343 0.000 0.961 15 D HN 0.387 nan 8.370 nan 0.000 0.470 16 L N 0.872 121.717 121.223 -0.631 0.000 2.056 16 L HA -0.102 4.238 4.340 0.000 0.000 0.207 16 L C 2.198 178.726 176.870 -0.570 0.000 1.078 16 L CA 1.220 55.346 54.840 -1.190 0.000 0.749 16 L CB -0.535 40.766 42.059 -1.264 0.000 0.901 16 L HN -0.170 nan 8.230 nan 0.000 0.433 17 V N -0.885 118.825 119.914 -0.341 0.000 2.255 17 V HA -0.306 3.814 4.120 0.000 0.000 0.247 17 V C 2.547 178.535 176.094 -0.177 0.000 1.051 17 V CA 1.851 64.025 62.300 -0.211 0.000 1.018 17 V CB -0.642 31.096 31.823 -0.143 0.000 0.641 17 V HN 0.355 nan 8.190 nan 0.000 0.445 18 V N -0.249 119.572 119.914 -0.154 0.000 2.407 18 V HA -0.235 3.885 4.120 0.000 0.000 0.248 18 V C 2.524 178.553 176.094 -0.108 0.000 1.055 18 V CA 2.260 64.494 62.300 -0.110 0.000 1.049 18 V CB -0.635 31.148 31.823 -0.067 0.000 0.662 18 V HN 0.552 nan 8.190 nan 0.000 0.455 19 S N -0.726 114.891 115.700 -0.138 0.000 2.383 19 S HA -0.247 4.223 4.470 0.000 0.000 0.227 19 S C 1.993 176.518 174.600 -0.125 0.000 1.026 19 S CA 1.549 59.697 58.200 -0.086 0.000 0.981 19 S CB -0.284 62.886 63.200 -0.050 0.000 0.818 19 S HN 0.584 nan 8.310 nan 0.000 0.472 20 Q N 1.501 121.188 119.800 -0.188 0.000 2.084 20 Q HA 0.038 4.378 4.340 0.000 0.000 0.202 20 Q C 1.930 177.789 176.000 -0.236 0.000 0.978 20 Q CA 1.403 57.090 55.803 -0.194 0.000 0.844 20 Q CB -0.580 28.043 28.738 -0.192 0.000 0.898 20 Q HN 0.510 nan 8.270 nan 0.000 0.426 21 L N 0.168 121.271 121.223 -0.200 0.000 2.042 21 L HA -0.213 4.127 4.340 0.000 0.000 0.210 21 L C 2.304 179.057 176.870 -0.196 0.000 1.076 21 L CA 1.702 56.415 54.840 -0.212 0.000 0.749 21 L CB -0.536 41.468 42.059 -0.093 0.000 0.893 21 L HN 0.338 nan 8.230 nan 0.000 0.432 22 E N 0.154 120.275 120.200 -0.133 0.000 2.110 22 E HA -0.207 4.143 4.350 0.000 0.000 0.193 22 E C 2.289 178.820 176.600 -0.115 0.000 0.988 22 E CA 1.102 57.444 56.400 -0.098 0.000 0.804 22 E CB -0.162 29.504 29.700 -0.056 0.000 0.745 22 E HN 0.511 nan 8.360 nan 0.000 0.458 23 A N 1.205 123.944 122.820 -0.136 0.000 2.019 23 A HA -0.177 4.144 4.320 0.000 0.000 0.219 23 A C 2.018 179.489 177.584 -0.188 0.000 1.164 23 A CA 1.019 52.976 52.037 -0.134 0.000 0.644 23 A CB -0.134 18.791 19.000 -0.125 0.000 0.805 23 A HN 0.091 nan 8.150 nan 0.000 0.449 24 Q N -1.496 118.122 119.800 -0.304 0.000 2.435 24 Q HA 0.088 4.428 4.340 0.000 0.000 0.207 24 Q C 1.297 177.162 176.000 -0.224 0.000 0.956 24 Q CA 0.892 56.449 55.803 -0.410 0.000 0.917 24 Q CB -0.032 28.120 28.738 -0.976 0.000 0.997 24 Q HN 1.005 nan 8.270 nan 0.000 0.497 25 G N 0.316 109.026 108.800 -0.151 0.000 2.141 25 G HA2 -0.244 3.716 3.960 0.000 0.000 0.242 25 G HA3 -0.244 3.716 3.960 0.000 0.000 0.242 25 G C 0.179 175.052 174.900 -0.046 0.000 0.982 25 G CA 0.192 45.245 45.100 -0.078 0.000 0.662 25 G HN 0.210 nan 8.290 nan 0.000 0.527 26 V N 0.908 120.788 119.914 -0.057 0.000 2.540 26 V HA 0.149 4.269 4.120 0.000 0.000 0.297 26 V C 1.765 177.842 176.094 -0.028 0.000 1.024 26 V CA 0.957 63.255 62.300 -0.005 0.000 1.105 26 V CB 0.989 32.820 31.823 0.014 0.000 0.938 26 V HN 0.492 nan 8.190 nan 0.000 0.482 27 R N 2.808 123.295 120.500 -0.022 0.000 2.237 27 R HA 0.154 4.494 4.340 0.000 0.000 0.195 27 R C 0.404 176.657 176.300 -0.077 0.000 0.956 27 R CA 0.208 56.283 56.100 -0.041 0.000 1.029 27 R CB 0.341 30.624 30.300 -0.028 0.000 0.972 27 R HN 0.868 nan 8.270 nan 0.000 0.493 28 Q N -0.210 119.518 119.800 -0.120 0.000 2.575 28 Q HA 0.346 4.686 4.340 0.000 0.000 0.290 28 Q C -1.519 174.272 176.000 -0.349 0.000 0.963 28 Q CA -0.803 54.855 55.803 -0.241 0.000 0.783 28 Q CB 1.801 30.347 28.738 -0.320 0.000 1.467 28 Q HN -0.118 nan 8.270 nan 0.000 0.402 29 V N 1.513 121.167 119.914 -0.434 0.000 2.638 29 V HA 0.582 4.702 4.120 0.000 0.000 0.306 29 V C -1.134 174.693 176.094 -0.445 0.000 1.052 29 V CA -0.579 61.496 62.300 -0.375 0.000 0.885 29 V CB 1.592 33.273 31.823 -0.236 0.000 0.999 29 V HN 0.672 nan 8.190 nan 0.000 0.424 30 F N 2.380 122.363 119.950 0.055 0.000 2.422 30 F HA 0.937 5.464 4.527 0.000 0.000 0.333 30 F C 0.869 176.737 175.800 0.114 0.000 1.095 30 F CA -0.038 58.021 58.000 0.098 0.000 1.038 30 F CB 2.036 41.101 39.000 0.107 0.000 1.156 30 F HN 0.761 nan 8.300 nan 0.000 0.483 31 G N 1.797 110.803 108.800 0.343 0.000 2.317 31 G HA2 0.483 4.443 3.960 0.000 0.000 0.293 31 G HA3 0.483 4.443 3.960 0.000 0.000 0.293 31 G C -2.144 172.956 174.900 0.333 0.000 1.287 31 G CA -0.918 44.385 45.100 0.339 0.000 0.850 31 G HN 0.541 nan 8.290 nan 0.000 0.515 32 I N 2.093 122.833 120.570 0.283 0.000 2.534 32 I HA 0.393 4.563 4.170 0.000 0.000 0.288 32 I C -2.242 173.804 176.117 -0.118 0.000 1.077 32 I CA -2.024 59.306 61.300 0.050 0.000 1.051 32 I CB 3.097 41.102 38.000 0.008 0.000 1.234 32 I HN 0.297 nan 8.210 nan 0.000 0.425 33 P HA 0.407 nan 4.420 nan 0.000 0.276 33 P C -0.480 176.626 177.300 -0.323 0.000 1.252 33 P CA -0.069 62.494 63.100 -0.895 0.000 0.802 33 P CB 1.800 32.679 31.700 -1.368 0.000 1.035 34 G N -1.232 107.454 108.800 -0.190 0.000 2.660 34 G HA2 0.441 4.401 3.960 0.000 0.000 0.290 34 G HA3 0.441 4.401 3.960 0.000 0.000 0.290 34 G C 0.542 175.415 174.900 -0.047 0.000 1.432 34 G CA -0.072 44.976 45.100 -0.087 0.000 0.807 34 G HN 0.379 nan 8.290 nan 0.000 0.485 35 A N 0.277 123.079 122.820 -0.030 0.000 1.884 35 A HA -0.105 4.215 4.320 0.000 0.000 0.219 35 A C 2.264 179.851 177.584 0.006 0.000 1.197 35 A CA 2.539 54.568 52.037 -0.014 0.000 0.637 35 A CB -0.458 18.536 19.000 -0.010 0.000 0.827 35 A HN 0.520 nan 8.150 nan 0.000 0.450 36 K N -1.301 119.110 120.400 0.018 0.000 2.147 36 K HA -0.010 4.310 4.320 0.000 0.000 0.205 36 K C 1.351 177.979 176.600 0.046 0.000 1.049 36 K CA 1.289 57.594 56.287 0.030 0.000 0.936 36 K CB -0.212 32.309 32.500 0.036 0.000 0.722 36 K HN 0.508 nan 8.250 nan 0.000 0.446 37 I N 0.640 121.255 120.570 0.075 0.000 4.082 37 I HA -0.014 4.156 4.170 0.000 0.000 0.337 37 I C 0.144 176.386 176.117 0.209 0.000 1.352 37 I CA -0.108 61.270 61.300 0.131 0.000 1.097 37 I CB 0.233 38.347 38.000 0.189 0.000 1.048 37 I HN 0.114 nan 8.210 nan 0.000 0.393 38 D N 0.330 120.804 120.400 0.123 0.000 2.263 38 D HA -0.274 4.366 4.640 0.000 0.000 0.208 38 D C 1.886 178.265 176.300 0.132 0.000 0.971 38 D CA 0.982 55.057 54.000 0.125 0.000 0.867 38 D CB -0.243 40.556 40.800 -0.001 0.000 0.929 38 D HN 0.141 nan 8.370 nan 0.000 0.492 39 K N 0.477 120.913 120.400 0.061 0.000 2.211 39 K HA 0.007 4.327 4.320 0.000 0.000 0.203 39 K C 1.787 178.395 176.600 0.013 0.000 1.050 39 K CA 0.614 56.895 56.287 -0.010 0.000 0.945 39 K CB -0.223 32.230 32.500 -0.078 0.000 0.732 39 K HN 0.123 nan 8.250 nan 0.000 0.451 40 V N 0.317 120.260 119.914 0.048 0.000 2.453 40 V HA -0.135 3.985 4.120 0.000 0.000 0.247 40 V C 1.786 177.853 176.094 -0.044 0.000 1.048 40 V CA 1.445 63.729 62.300 -0.027 0.000 1.049 40 V CB -0.563 31.207 31.823 -0.088 0.000 0.672 40 V HN 0.158 nan 8.190 nan 0.000 0.457 41 F N 0.956 120.892 119.950 -0.024 0.000 2.146 41 F HA -0.161 4.366 4.527 0.000 0.000 0.298 41 F C 2.248 178.037 175.800 -0.018 0.000 1.096 41 F CA 2.045 60.035 58.000 -0.017 0.000 1.275 41 F CB -0.497 38.496 39.000 -0.011 0.000 1.008 41 F HN 0.248 nan 8.300 nan 0.000 0.480 42 D N -0.470 120.028 120.400 0.163 0.000 2.097 42 D HA -0.166 4.474 4.640 0.000 0.000 0.195 42 D C 2.164 178.489 176.300 0.042 0.000 0.989 42 D CA 1.785 55.830 54.000 0.075 0.000 0.827 42 D CB -0.109 40.706 40.800 0.024 0.000 0.966 42 D HN 0.043 nan 8.370 nan 0.000 0.456 43 S N -0.512 115.200 115.700 0.020 0.000 2.419 43 S HA -0.084 4.386 4.470 0.000 0.000 0.233 43 S C 1.959 176.566 174.600 0.011 0.000 1.016 43 S CA 0.420 58.633 58.200 0.020 0.000 0.974 43 S CB -0.272 62.935 63.200 0.013 0.000 0.786 43 S HN 0.328 nan 8.310 nan 0.000 0.492 44 L N 0.905 122.122 121.223 -0.010 0.000 2.275 44 L HA -0.043 4.297 4.340 0.000 0.000 0.215 44 L C 1.936 178.807 176.870 0.002 0.000 1.119 44 L CA 0.663 55.486 54.840 -0.029 0.000 0.790 44 L CB -0.461 41.550 42.059 -0.080 0.000 0.919 44 L HN 0.325 nan 8.230 nan 0.000 0.443 45 L N -0.608 120.631 121.223 0.026 0.000 2.141 45 L HA -0.187 4.153 4.340 0.000 0.000 0.209 45 L C 1.180 178.065 176.870 0.026 0.000 1.094 45 L CA 0.910 55.769 54.840 0.031 0.000 0.763 45 L CB -0.387 41.696 42.059 0.040 0.000 0.908 45 L HN 0.273 nan 8.230 nan 0.000 0.437 46 D N -0.057 120.360 120.400 0.029 0.000 2.352 46 D HA 0.045 4.685 4.640 0.000 0.000 0.236 46 D C 0.779 177.095 176.300 0.027 0.000 1.148 46 D CA 0.239 54.259 54.000 0.032 0.000 0.844 46 D CB 0.129 40.957 40.800 0.047 0.000 0.933 46 D HN 0.318 nan 8.370 nan 0.000 0.507 47 S N -1.112 114.597 115.700 0.014 0.000 2.811 47 S HA 0.383 4.853 4.470 0.000 0.000 0.311 47 S C 1.049 175.647 174.600 -0.003 0.000 1.152 47 S CA -0.437 57.766 58.200 0.005 0.000 0.864 47 S CB 1.721 64.917 63.200 -0.007 0.000 1.226 47 S HN -0.051 nan 8.310 nan 0.000 0.541 48 S N -0.329 115.365 115.700 -0.010 0.000 2.528 48 S HA 0.286 4.756 4.470 0.000 0.000 0.219 48 S C 0.583 175.168 174.600 -0.025 0.000 0.985 48 S CA -0.317 57.875 58.200 -0.014 0.000 0.914 48 S CB -0.839 62.352 63.200 -0.015 0.000 0.776 48 S HN 0.632 nan 8.310 nan 0.000 0.526 49 I N 2.750 123.299 120.570 -0.035 0.000 2.556 49 I HA 0.171 4.341 4.170 0.000 0.000 0.284 49 I C 0.805 176.888 176.117 -0.056 0.000 1.114 49 I CA -0.250 61.018 61.300 -0.054 0.000 1.418 49 I CB 0.491 38.450 38.000 -0.070 0.000 1.394 49 I HN 0.155 nan 8.210 nan 0.000 0.552 50 R N 6.839 127.299 120.500 -0.068 0.000 2.308 50 R HA 0.448 4.788 4.340 0.000 0.000 0.305 50 R C -0.690 175.556 176.300 -0.089 0.000 1.053 50 R CA -0.567 55.498 56.100 -0.057 0.000 0.957 50 R CB 0.654 30.927 30.300 -0.045 0.000 1.022 50 R HN 0.572 nan 8.270 nan 0.000 0.461 51 I N 5.979 126.526 120.570 -0.038 0.000 2.352 51 I HA 0.153 4.323 4.170 0.000 0.000 0.290 51 I C -0.107 176.019 176.117 0.015 0.000 1.036 51 I CA -0.367 60.924 61.300 -0.015 0.000 1.336 51 I CB 1.099 39.148 38.000 0.082 0.000 1.407 51 I HN 0.419 nan 8.210 nan 0.000 0.497 52 I N 8.879 129.438 120.570 -0.019 0.000 2.371 52 I HA 0.332 4.502 4.170 0.000 0.000 0.282 52 I C -2.376 173.852 176.117 0.184 0.000 1.031 52 I CA -2.651 58.690 61.300 0.067 0.000 1.180 52 I CB 0.666 38.674 38.000 0.015 0.000 1.336 52 I HN 0.176 nan 8.210 nan 0.000 0.467 53 P HA 0.188 nan 4.420 nan 0.000 0.276 53 P C -0.016 177.395 177.300 0.185 0.000 1.235 53 P CA -0.041 63.170 63.100 0.185 0.000 0.772 53 P CB 1.060 32.833 31.700 0.122 0.000 0.871 54 V N 2.295 122.323 119.914 0.190 0.000 3.267 54 V HA 0.546 4.666 4.120 0.000 0.000 0.317 54 V C 1.053 177.222 176.094 0.126 0.000 1.131 54 V CA -0.562 61.842 62.300 0.173 0.000 1.031 54 V CB 1.952 33.891 31.823 0.193 0.000 1.159 54 V HN 0.210 nan 8.190 nan 0.000 0.454 55 R N -0.573 120.003 120.500 0.126 0.000 2.308 55 R HA 0.336 4.676 4.340 0.000 0.000 0.202 55 R C 0.143 176.525 176.300 0.137 0.000 0.898 55 R CA 0.410 56.578 56.100 0.114 0.000 1.046 55 R CB -0.381 29.992 30.300 0.123 0.000 1.026 55 R HN 0.931 nan 8.270 nan 0.000 0.512 56 H N -0.041 119.057 119.070 0.046 0.000 3.042 56 H HA 0.150 4.706 4.556 0.000 0.000 0.345 56 H C -0.084 175.257 175.328 0.022 0.000 1.052 56 H CA -0.176 55.889 56.048 0.028 0.000 1.311 56 H CB 1.642 31.414 29.762 0.016 0.000 1.810 56 H HN -0.223 nan 8.280 nan 0.000 0.505 57 E N 3.236 123.397 120.200 -0.064 0.000 2.130 57 E HA -0.159 4.191 4.350 0.000 0.000 0.196 57 E C 2.058 178.706 176.600 0.079 0.000 0.998 57 E CA 1.893 58.313 56.400 0.034 0.000 0.806 57 E CB 0.031 29.715 29.700 -0.026 0.000 0.738 57 E HN 0.667 nan 8.360 nan 0.000 0.459 58 A N 1.427 124.384 122.820 0.229 0.000 1.927 58 A HA -0.284 4.036 4.320 0.000 0.000 0.220 58 A C 1.780 179.130 177.584 -0.391 0.000 1.185 58 A CA 1.939 53.904 52.037 -0.120 0.000 0.639 58 A CB -0.602 18.348 19.000 -0.084 0.000 0.820 58 A HN 0.205 nan 8.150 nan 0.000 0.451 59 N N 0.094 118.765 118.700 -0.047 0.000 2.459 59 N HA -0.002 4.738 4.740 0.000 0.000 0.181 59 N C 1.736 177.241 175.510 -0.009 0.000 1.046 59 N CA 1.153 54.231 53.050 0.047 0.000 0.904 59 N CB -0.422 38.139 38.487 0.124 0.000 0.964 59 N HN 0.526 nan 8.380 nan 0.000 0.444 60 A N 1.155 123.975 122.820 -0.001 0.000 1.898 60 A HA 0.092 4.412 4.320 0.000 0.000 0.216 60 A C 2.385 179.943 177.584 -0.043 0.000 1.181 60 A CA 1.592 53.654 52.037 0.042 0.000 0.620 60 A CB -0.614 18.482 19.000 0.161 0.000 0.819 60 A HN 0.282 nan 8.150 nan 0.000 0.442 61 A N -0.972 121.786 122.820 -0.103 0.000 1.930 61 A HA 0.001 4.322 4.320 0.000 0.000 0.217 61 A C 2.040 179.607 177.584 -0.027 0.000 1.175 61 A CA 1.298 53.276 52.037 -0.099 0.000 0.627 61 A CB -0.781 18.100 19.000 -0.199 0.000 0.815 61 A HN 0.534 nan 8.150 nan 0.000 0.443 62 F N -0.710 119.252 119.950 0.019 0.000 2.146 62 F HA -0.183 4.344 4.527 0.000 0.000 0.298 62 F C 2.611 178.473 175.800 0.103 0.000 1.096 62 F CA 1.219 59.256 58.000 0.062 0.000 1.275 62 F CB -0.329 38.605 39.000 -0.109 0.000 1.008 62 F HN 0.131 nan 8.300 nan 0.000 0.480 63 M N -0.061 119.555 119.600 0.027 0.000 2.175 63 M HA -0.173 4.307 4.480 0.000 0.000 0.264 63 M C 2.489 178.575 176.300 -0.357 0.000 1.063 63 M CA 1.622 56.733 55.300 -0.316 0.000 1.119 63 M CB -0.481 31.530 32.600 -0.982 0.000 1.377 63 M HN 0.193 nan 8.290 nan 0.000 0.415 64 A N 0.271 122.933 122.820 -0.263 0.000 1.933 64 A HA -0.040 4.280 4.320 0.000 0.000 0.218 64 A C 2.347 179.994 177.584 0.105 0.000 1.175 64 A CA 1.814 53.879 52.037 0.048 0.000 0.628 64 A CB -0.909 18.179 19.000 0.147 0.000 0.814 64 A HN 0.489 nan 8.150 nan 0.000 0.444 65 A N -0.158 122.747 122.820 0.142 0.000 1.933 65 A HA 0.179 4.499 4.320 0.000 0.000 0.218 65 A C 2.470 180.094 177.584 0.065 0.000 1.175 65 A CA 1.976 54.106 52.037 0.155 0.000 0.628 65 A CB -0.899 18.283 19.000 0.304 0.000 0.814 65 A HN 0.996 nan 8.150 nan 0.000 0.444 66 A N -0.511 122.350 122.820 0.068 0.000 1.898 66 A HA 0.018 4.338 4.320 0.000 0.000 0.216 66 A C 2.210 179.800 177.584 0.010 0.000 1.181 66 A CA 1.696 53.709 52.037 -0.040 0.000 0.620 66 A CB -0.948 18.074 19.000 0.037 0.000 0.819 66 A HN 0.382 nan 8.150 nan 0.000 0.442 67 V N 0.046 120.007 119.914 0.077 0.000 2.332 67 V HA -0.216 3.904 4.120 0.000 0.000 0.248 67 V C 2.799 178.937 176.094 0.073 0.000 1.055 67 V CA 2.059 64.426 62.300 0.111 0.000 1.038 67 V CB -1.474 30.479 31.823 0.216 0.000 0.651 67 V HN 0.616 nan 8.190 nan 0.000 0.450 68 G N -0.567 108.274 108.800 0.068 0.000 2.402 68 G HA2 -0.285 3.675 3.960 0.000 0.000 0.216 68 G HA3 -0.285 3.675 3.960 0.000 0.000 0.216 68 G C 1.717 176.625 174.900 0.012 0.000 1.162 68 G CA 0.890 46.018 45.100 0.047 0.000 0.777 68 G HN 0.441 nan 8.290 nan 0.000 0.539 69 R N 0.020 120.507 120.500 -0.021 0.000 2.081 69 R HA 0.032 4.372 4.340 0.000 0.000 0.235 69 R C 2.501 178.773 176.300 -0.046 0.000 1.131 69 R CA 1.228 57.295 56.100 -0.055 0.000 0.960 69 R CB -0.284 29.939 30.300 -0.129 0.000 0.856 69 R HN 0.441 nan 8.270 nan 0.000 0.436 70 I N -0.035 120.513 120.570 -0.038 0.000 2.193 70 I HA -0.198 3.972 4.170 0.000 0.000 0.240 70 I C 2.426 178.537 176.117 -0.010 0.000 1.084 70 I CA 1.695 62.979 61.300 -0.027 0.000 1.365 70 I CB -0.421 37.568 38.000 -0.018 0.000 1.064 70 I HN 0.351 nan 8.210 nan 0.000 0.410 71 T N -1.982 112.577 114.554 0.008 0.000 3.067 71 T HA 0.175 4.525 4.350 0.000 0.000 0.261 71 T C 1.691 176.400 174.700 0.015 0.000 1.110 71 T CA 0.714 62.822 62.100 0.014 0.000 1.113 71 T CB 0.302 69.188 68.868 0.030 0.000 0.917 71 T HN 0.570 nan 8.240 nan 0.000 0.499 72 G N 1.422 110.231 108.800 0.016 0.000 2.205 72 G HA2 -0.234 3.726 3.960 0.000 0.000 0.261 72 G HA3 -0.234 3.726 3.960 0.000 0.000 0.261 72 G C 0.057 174.980 174.900 0.037 0.000 0.980 72 G CA 0.315 45.425 45.100 0.017 0.000 0.632 72 G HN 0.660 nan 8.290 nan 0.000 0.533 73 K N 0.817 121.250 120.400 0.054 0.000 2.138 73 K HA 0.690 5.010 4.320 0.000 0.000 0.263 73 K C 0.529 177.196 176.600 0.112 0.000 0.965 73 K CA -0.047 56.296 56.287 0.093 0.000 0.868 73 K CB 1.931 34.485 32.500 0.091 0.000 1.083 73 K HN 0.601 nan 8.250 nan 0.000 0.443 74 A N 2.075 124.977 122.820 0.136 0.000 2.546 74 A HA 0.239 4.559 4.320 0.000 0.000 0.243 74 A C 0.670 178.317 177.584 0.106 0.000 1.063 74 A CA 0.370 52.440 52.037 0.055 0.000 0.757 74 A CB -0.180 18.720 19.000 -0.167 0.000 0.991 74 A HN 0.771 nan 8.150 nan 0.000 0.503 75 G N 0.440 109.296 108.800 0.094 0.000 2.539 75 G HA2 0.496 4.456 3.960 0.000 0.000 0.258 75 G HA3 0.496 4.456 3.960 0.000 0.000 0.258 75 G C -0.545 174.440 174.900 0.142 0.000 1.202 75 G CA -0.307 44.902 45.100 0.183 0.000 0.851 75 G HN 0.937 nan 8.290 nan 0.000 0.556 76 V N 0.667 120.714 119.914 0.221 0.000 2.487 76 V HA 0.697 4.817 4.120 0.000 0.000 0.298 76 V C 0.336 176.558 176.094 0.212 0.000 1.028 76 V CA -0.751 61.633 62.300 0.140 0.000 0.860 76 V CB 1.204 33.093 31.823 0.111 0.000 0.991 76 V HN 1.116 nan 8.190 nan 0.000 0.427 77 A N 4.662 127.571 122.820 0.148 0.000 2.340 77 A HA 0.951 5.271 4.320 0.000 0.000 0.331 77 A C -1.243 176.390 177.584 0.081 0.000 1.140 77 A CA -0.582 51.559 52.037 0.173 0.000 0.801 77 A CB 1.474 20.567 19.000 0.155 0.000 1.234 77 A HN 0.837 nan 8.150 nan 0.000 0.469 78 L N 3.109 124.381 121.223 0.082 0.000 2.404 78 L HA 0.689 5.029 4.340 0.000 0.000 0.272 78 L C -0.553 176.433 176.870 0.193 0.000 0.980 78 L CA -0.374 54.480 54.840 0.022 0.000 0.836 78 L CB 1.691 43.596 42.059 -0.256 0.000 1.238 78 L HN 0.923 nan 8.230 nan 0.000 0.408 79 V N 0.940 120.964 119.914 0.183 0.000 3.141 79 V HA 0.746 4.866 4.120 0.000 0.000 0.312 79 V C -0.021 176.184 176.094 0.186 0.000 1.157 79 V CA -0.460 61.965 62.300 0.209 0.000 1.041 79 V CB 1.620 33.538 31.823 0.158 0.000 1.071 79 V HN 0.723 nan 8.190 nan 0.000 0.441 80 T N 1.024 115.663 114.554 0.141 0.000 2.810 80 T HA 0.505 4.855 4.350 0.000 0.000 0.277 80 T C 0.624 175.382 174.700 0.095 0.000 0.973 80 T CA 0.400 62.562 62.100 0.103 0.000 0.949 80 T CB 1.028 69.926 68.868 0.050 0.000 1.075 80 T HN 1.594 nan 8.240 nan 0.000 0.537 81 S N 0.113 115.859 115.700 0.078 0.000 2.617 81 S HA 0.567 5.037 4.470 0.000 0.000 0.259 81 S C 1.237 175.879 174.600 0.070 0.000 1.301 81 S CA -0.053 58.198 58.200 0.084 0.000 0.984 81 S CB -0.145 63.095 63.200 0.066 0.000 0.954 81 S HN 1.608 nan 8.310 nan 0.000 0.572 82 G N 1.439 110.284 108.800 0.074 0.000 2.591 82 G HA2 -0.272 3.688 3.960 0.000 0.000 0.298 82 G HA3 -0.272 3.688 3.960 0.000 0.000 0.298 82 G C -1.151 173.777 174.900 0.047 0.000 1.195 82 G CA 0.219 45.351 45.100 0.054 0.000 0.989 82 G HN 0.741 nan 8.290 nan 0.000 0.551 83 P HA -0.092 nan 4.420 nan 0.000 0.218 83 P C 1.913 179.215 177.300 0.003 0.000 1.146 83 P CA 2.594 65.696 63.100 0.004 0.000 0.813 83 P CB -0.728 30.965 31.700 -0.012 0.000 0.778 84 G N -0.036 108.777 108.800 0.022 0.000 2.446 84 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 84 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 84 G C 1.732 176.682 174.900 0.083 0.000 1.168 84 G CA 1.008 46.129 45.100 0.034 0.000 0.771 84 G HN 0.266 nan 8.290 nan 0.000 0.551 85 C N 1.178 120.556 119.300 0.130 0.000 2.476 85 C HA 0.011 4.471 4.460 0.000 0.000 0.278 85 C C 3.495 178.617 174.990 0.219 0.000 1.274 85 C CA 1.375 60.530 59.018 0.227 0.000 1.713 85 C CB -0.765 27.127 27.740 0.254 0.000 2.039 85 C HN 0.590 nan 8.230 nan 0.000 0.484 86 S N 1.736 117.484 115.700 0.080 0.000 2.419 86 S HA -0.159 4.311 4.470 0.000 0.000 0.233 86 S C 1.302 175.874 174.600 -0.047 0.000 1.016 86 S CA 1.628 59.801 58.200 -0.044 0.000 0.974 86 S CB -0.675 62.496 63.200 -0.048 0.000 0.786 86 S HN 0.592 nan 8.310 nan 0.000 0.492 87 N N 1.155 119.855 118.700 -0.000 0.000 2.550 87 N HA 0.229 4.969 4.740 0.000 0.000 0.186 87 N C 1.283 176.813 175.510 0.033 0.000 1.110 87 N CA 0.476 53.536 53.050 0.017 0.000 0.912 87 N CB -0.359 38.074 38.487 -0.090 0.000 0.968 87 N HN 0.458 nan 8.380 nan 0.000 0.448 88 L N -0.278 120.970 121.223 0.043 0.000 2.354 88 L HA 0.158 4.498 4.340 0.000 0.000 0.212 88 L C 1.715 178.571 176.870 -0.024 0.000 1.091 88 L CA 0.146 55.021 54.840 0.058 0.000 0.828 88 L CB -0.053 42.151 42.059 0.241 0.000 0.973 88 L HN 0.098 nan 8.230 nan 0.000 0.461 89 I N 0.138 120.595 120.570 -0.188 0.000 2.121 89 I HA -0.421 3.749 4.170 0.000 0.000 0.243 89 I C 2.408 178.407 176.117 -0.197 0.000 1.047 89 I CA 2.004 63.070 61.300 -0.390 0.000 1.308 89 I CB -0.781 36.897 38.000 -0.537 0.000 1.015 89 I HN 0.281 nan 8.210 nan 0.000 0.410 90 T N 0.421 114.892 114.554 -0.139 0.000 2.788 90 T HA -0.117 4.233 4.350 0.000 0.000 0.268 90 T C 1.859 176.527 174.700 -0.053 0.000 1.044 90 T CA 1.465 63.524 62.100 -0.069 0.000 1.139 90 T CB -0.683 68.169 68.868 -0.027 0.000 0.867 90 T HN 0.638 nan 8.240 nan 0.000 0.454 91 G N 1.587 110.250 108.800 -0.228 0.000 2.421 91 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 91 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 91 G C 1.521 176.395 174.900 -0.044 0.000 1.171 91 G CA 0.686 45.551 45.100 -0.391 0.000 0.775 91 G HN 0.306 nan 8.290 nan 0.000 0.543 92 M N 1.144 120.753 119.600 0.015 0.000 2.175 92 M HA 0.102 4.583 4.480 0.000 0.000 0.264 92 M C 2.963 179.320 176.300 0.095 0.000 1.063 92 M CA 1.104 56.470 55.300 0.110 0.000 1.119 92 M CB -1.209 31.532 32.600 0.235 0.000 1.377 92 M HN 0.320 nan 8.290 nan 0.000 0.415 93 A N -0.027 122.821 122.820 0.047 0.000 1.898 93 A HA -0.119 4.201 4.320 0.000 0.000 0.216 93 A C 2.345 179.983 177.584 0.091 0.000 1.181 93 A CA 2.165 54.228 52.037 0.044 0.000 0.620 93 A CB -1.065 17.934 19.000 -0.001 0.000 0.819 93 A HN 0.461 nan 8.150 nan 0.000 0.442 94 T N 0.312 114.954 114.554 0.145 0.000 2.746 94 T HA 0.001 4.351 4.350 0.000 0.000 0.267 94 T C 2.237 177.075 174.700 0.231 0.000 1.039 94 T CA 1.554 63.783 62.100 0.215 0.000 1.142 94 T CB -0.441 68.646 68.868 0.366 0.000 0.866 94 T HN 0.582 nan 8.240 nan 0.000 0.444 95 A N 1.937 124.895 122.820 0.231 0.000 1.877 95 A HA -0.147 4.173 4.320 0.000 0.000 0.216 95 A C 2.198 179.860 177.584 0.130 0.000 1.186 95 A CA 1.993 54.149 52.037 0.198 0.000 0.620 95 A CB -0.914 18.191 19.000 0.175 0.000 0.822 95 A HN 0.478 nan 8.150 nan 0.000 0.443 96 N N -0.340 118.427 118.700 0.111 0.000 2.166 96 N HA -0.128 4.612 4.740 0.000 0.000 0.186 96 N C 1.946 177.496 175.510 0.066 0.000 1.019 96 N CA 1.645 54.745 53.050 0.083 0.000 0.856 96 N CB -0.238 38.298 38.487 0.082 0.000 0.993 96 N HN 0.357 nan 8.380 nan 0.000 0.426 97 S N -0.319 115.425 115.700 0.075 0.000 2.368 97 S HA -0.050 4.420 4.470 0.000 0.000 0.225 97 S C 1.186 175.821 174.600 0.059 0.000 1.030 97 S CA 0.949 59.183 58.200 0.057 0.000 0.999 97 S CB -0.213 63.026 63.200 0.064 0.000 0.844 97 S HN 0.309 nan 8.310 nan 0.000 0.459 98 E N 0.130 120.381 120.200 0.086 0.000 2.479 98 E HA 0.220 4.570 4.350 0.000 0.000 0.193 98 E C 1.120 177.746 176.600 0.043 0.000 1.049 98 E CA 0.532 56.975 56.400 0.072 0.000 0.870 98 E CB -0.178 29.581 29.700 0.099 0.000 0.944 98 E HN 0.575 nan 8.360 nan 0.000 0.492 99 G N 2.407 111.234 108.800 0.045 0.000 2.246 99 G HA2 -0.209 3.751 3.960 0.000 0.000 0.273 99 G HA3 -0.209 3.751 3.960 0.000 0.000 0.273 99 G C -0.582 174.335 174.900 0.029 0.000 1.055 99 G CA 0.135 45.254 45.100 0.032 0.000 0.851 99 G HN 0.110 nan 8.290 nan 0.000 0.500 100 D N 0.900 121.327 120.400 0.044 0.000 2.232 100 D HA 0.408 5.048 4.640 0.000 0.000 0.242 100 D C -2.081 174.244 176.300 0.042 0.000 1.093 100 D CA -1.358 52.664 54.000 0.037 0.000 0.845 100 D CB 1.955 42.788 40.800 0.054 0.000 1.124 100 D HN 0.152 nan 8.370 nan 0.000 0.467 101 P HA 0.096 nan 4.420 nan 0.000 0.275 101 P C -0.635 176.666 177.300 0.001 0.000 1.276 101 P CA -0.216 62.889 63.100 0.009 0.000 0.782 101 P CB 0.808 32.513 31.700 0.008 0.000 0.851 102 V N 5.141 125.047 119.914 -0.013 0.000 2.686 102 V HA 0.286 4.407 4.120 0.000 0.000 0.306 102 V C 0.033 176.072 176.094 -0.091 0.000 1.065 102 V CA -0.786 61.504 62.300 -0.017 0.000 0.894 102 V CB 2.689 34.545 31.823 0.055 0.000 1.004 102 V HN 0.215 nan 8.190 nan 0.000 0.424 103 V N 3.778 123.579 119.914 -0.188 0.000 2.409 103 V HA 0.821 4.941 4.120 0.000 0.000 0.291 103 V C 0.268 176.291 176.094 -0.119 0.000 1.020 103 V CA -0.400 61.736 62.300 -0.273 0.000 0.848 103 V CB 1.690 33.077 31.823 -0.726 0.000 0.990 103 V HN 1.007 nan 8.190 nan 0.000 0.430 104 A N 6.383 129.171 122.820 -0.053 0.000 2.318 104 A HA 0.888 5.208 4.320 0.000 0.000 0.324 104 A C -0.876 176.639 177.584 -0.115 0.000 1.170 104 A CA -0.529 51.508 52.037 -0.000 0.000 0.810 104 A CB 0.826 19.899 19.000 0.121 0.000 1.198 104 A HN 0.804 nan 8.150 nan 0.000 0.484 105 L N 2.894 124.057 121.223 -0.100 0.000 2.298 105 L HA 0.629 4.969 4.340 0.000 0.000 0.284 105 L C 0.566 177.374 176.870 -0.105 0.000 1.013 105 L CA -0.434 54.300 54.840 -0.177 0.000 0.824 105 L CB 1.830 43.818 42.059 -0.119 0.000 1.221 105 L HN 0.806 nan 8.230 nan 0.000 0.418 106 G N 1.611 110.298 108.800 -0.189 0.000 2.461 106 G HA2 0.580 4.540 3.960 0.000 0.000 0.323 106 G HA3 0.580 4.540 3.960 0.000 0.000 0.323 106 G C -0.041 174.863 174.900 0.006 0.000 1.229 106 G CA -0.493 44.626 45.100 0.032 0.000 0.941 106 G HN 0.637 nan 8.290 nan 0.000 0.477 107 G N -0.390 108.449 108.800 0.064 0.000 2.634 107 G HA2 0.691 4.651 3.960 0.000 0.000 0.255 107 G HA3 0.691 4.651 3.960 0.000 0.000 0.255 107 G C -0.001 174.938 174.900 0.065 0.000 1.205 107 G CA 0.519 45.649 45.100 0.050 0.000 0.884 107 G HN 1.534 nan 8.290 nan 0.000 0.549 108 A N -0.955 121.892 122.820 0.046 0.000 2.610 108 A HA 0.681 5.001 4.320 0.000 0.000 0.291 108 A C 0.006 177.611 177.584 0.036 0.000 1.086 108 A CA -0.022 52.046 52.037 0.052 0.000 0.677 108 A CB 0.704 19.735 19.000 0.052 0.000 1.278 108 A HN 2.127 nan 8.150 nan 0.000 0.414 109 V N -0.649 119.286 119.914 0.035 0.000 3.432 109 V HA 0.294 4.414 4.120 0.000 0.000 0.304 109 V C 0.406 176.511 176.094 0.018 0.000 1.107 109 V CA -0.315 62.000 62.300 0.024 0.000 1.153 109 V CB -0.292 31.544 31.823 0.022 0.000 1.072 109 V HN 0.840 nan 8.190 nan 0.000 0.485 110 K N 1.490 121.899 120.400 0.014 0.000 2.414 110 K HA 0.132 4.452 4.320 0.000 0.000 0.272 110 K C 1.469 178.074 176.600 0.008 0.000 0.993 110 K CA 0.062 56.355 56.287 0.011 0.000 0.964 110 K CB 0.408 32.914 32.500 0.011 0.000 0.925 110 K HN 0.593 nan 8.250 nan 0.000 0.487 111 R N 1.246 121.749 120.500 0.006 0.000 2.113 111 R HA -0.227 4.113 4.340 0.000 0.000 0.244 111 R C 1.767 178.066 176.300 -0.001 0.000 1.142 111 R CA 2.026 58.128 56.100 0.003 0.000 0.953 111 R CB -0.345 29.956 30.300 0.002 0.000 0.860 111 R HN 0.695 nan 8.270 nan 0.000 0.438 112 A N 1.136 123.956 122.820 -0.000 0.000 2.278 112 A HA -0.026 4.294 4.320 0.000 0.000 0.212 112 A C -0.046 177.533 177.584 -0.007 0.000 1.213 112 A CA -0.265 51.769 52.037 -0.004 0.000 0.840 112 A CB -0.216 18.783 19.000 -0.001 0.000 0.866 112 A HN 0.225 nan 8.150 nan 0.000 0.489 113 D N 0.351 120.748 120.400 -0.005 0.000 2.581 113 D HA 0.274 4.914 4.640 0.000 0.000 0.238 113 D C 1.428 177.718 176.300 -0.016 0.000 1.145 113 D CA 0.957 54.954 54.000 -0.006 0.000 0.866 113 D CB 0.717 41.517 40.800 -0.000 0.000 1.151 113 D HN 0.259 nan 8.370 nan 0.000 0.500 114 K N 3.349 123.739 120.400 -0.016 0.000 2.281 114 K HA -0.052 4.268 4.320 0.000 0.000 0.203 114 K C 1.990 178.570 176.600 -0.033 0.000 1.046 114 K CA 1.591 57.863 56.287 -0.024 0.000 0.938 114 K CB -0.730 31.760 32.500 -0.016 0.000 0.737 114 K HN 0.641 nan 8.250 nan 0.000 0.458 115 A N 0.953 123.760 122.820 -0.022 0.000 2.119 115 A HA -0.061 4.259 4.320 0.000 0.000 0.217 115 A C 2.178 179.738 177.584 -0.039 0.000 1.153 115 A CA 1.202 53.227 52.037 -0.020 0.000 0.692 115 A CB -0.088 18.911 19.000 -0.001 0.000 0.799 115 A HN 0.403 nan 8.150 nan 0.000 0.458 116 K N 0.067 120.438 120.400 -0.047 0.000 2.009 116 K HA -0.177 4.143 4.320 0.000 0.000 0.210 116 K C 2.107 178.598 176.600 -0.182 0.000 1.049 116 K CA 1.936 58.183 56.287 -0.066 0.000 0.929 116 K CB -0.409 32.065 32.500 -0.044 0.000 0.714 116 K HN 0.699 nan 8.250 nan 0.000 0.440 117 Q N 0.463 120.149 119.800 -0.189 0.000 2.172 117 Q HA -0.077 4.263 4.340 0.000 0.000 0.200 117 Q C 1.839 177.601 176.000 -0.398 0.000 0.964 117 Q CA 1.242 56.867 55.803 -0.297 0.000 0.855 117 Q CB -0.035 28.613 28.738 -0.151 0.000 0.918 117 Q HN 0.251 nan 8.270 nan 0.000 0.444 118 V N -2.333 117.460 119.914 -0.202 0.000 3.592 118 V HA -0.036 4.084 4.120 0.000 0.000 0.272 118 V C 0.009 176.093 176.094 -0.017 0.000 1.228 118 V CA 0.336 62.580 62.300 -0.092 0.000 1.173 118 V CB -0.904 30.902 31.823 -0.028 0.000 0.873 118 V HN 0.431 nan 8.190 nan 0.000 0.476 119 H N -0.236 118.839 119.070 0.009 0.000 2.776 119 H HA -0.249 4.307 4.556 0.000 0.000 0.300 119 H C 1.593 176.927 175.328 0.010 0.000 1.161 119 H CA 1.295 57.349 56.048 0.010 0.000 1.147 119 H CB -1.455 28.311 29.762 0.008 0.000 1.366 119 H HN 0.723 nan 8.280 nan 0.000 0.397 120 Q N 1.545 121.388 119.800 0.072 0.000 2.230 120 Q HA -0.022 4.318 4.340 0.000 0.000 0.202 120 Q C 0.642 176.674 176.000 0.052 0.000 0.963 120 Q CA 1.175 57.009 55.803 0.052 0.000 0.866 120 Q CB 0.419 29.172 28.738 0.026 0.000 0.931 120 Q HN 0.553 nan 8.270 nan 0.000 0.452 121 S N 0.006 115.741 115.700 0.059 0.000 2.549 121 S HA 0.574 5.044 4.470 0.000 0.000 0.297 121 S C 0.193 174.842 174.600 0.082 0.000 1.115 121 S CA -1.021 57.215 58.200 0.060 0.000 1.059 121 S CB 0.946 64.176 63.200 0.050 0.000 1.046 121 S HN 0.370 nan 8.310 nan 0.000 0.506 122 M N 0.908 120.551 119.600 0.071 0.000 2.233 122 M HA 0.375 4.855 4.480 0.000 0.000 0.350 122 M C -0.437 175.916 176.300 0.088 0.000 1.176 122 M CA -0.325 55.017 55.300 0.070 0.000 1.150 122 M CB 0.119 32.747 32.600 0.046 0.000 1.530 122 M HN 0.541 nan 8.290 nan 0.000 0.459 123 D N 3.254 123.704 120.400 0.085 0.000 2.498 123 D HA 0.037 4.677 4.640 0.000 0.000 0.229 123 D C 1.234 177.593 176.300 0.099 0.000 1.188 123 D CA 0.110 54.167 54.000 0.094 0.000 1.028 123 D CB 0.520 41.367 40.800 0.078 0.000 1.087 123 D HN 0.815 nan 8.370 nan 0.000 0.510 124 T N -0.856 113.784 114.554 0.142 0.000 2.833 124 T HA -0.161 4.189 4.350 0.000 0.000 0.269 124 T C 2.038 176.869 174.700 0.217 0.000 1.054 124 T CA 0.841 63.050 62.100 0.182 0.000 1.135 124 T CB -0.296 68.712 68.868 0.233 0.000 0.869 124 T HN 0.160 nan 8.240 nan 0.000 0.466 125 V N 2.120 122.177 119.914 0.238 0.000 2.343 125 V HA -0.085 4.035 4.120 0.000 0.000 0.247 125 V C 3.223 179.402 176.094 0.141 0.000 1.051 125 V CA 1.633 64.070 62.300 0.228 0.000 1.036 125 V CB -1.387 30.527 31.823 0.151 0.000 0.654 125 V HN 0.694 nan 8.190 nan 0.000 0.451 126 A N -0.703 122.171 122.820 0.091 0.000 1.969 126 A HA -0.183 4.137 4.320 0.000 0.000 0.218 126 A C 2.212 179.804 177.584 0.012 0.000 1.169 126 A CA 1.963 54.026 52.037 0.045 0.000 0.635 126 A CB -0.417 18.599 19.000 0.027 0.000 0.810 126 A HN 0.515 nan 8.150 nan 0.000 0.445 127 M N -2.138 117.460 119.600 -0.004 0.000 2.156 127 M HA 0.001 4.481 4.480 0.000 0.000 0.264 127 M C 1.726 177.894 176.300 -0.220 0.000 1.067 127 M CA 1.401 56.626 55.300 -0.125 0.000 1.131 127 M CB -0.328 32.164 32.600 -0.181 0.000 1.368 127 M HN 0.415 nan 8.290 nan 0.000 0.416 128 F N -0.011 119.818 119.950 -0.202 0.000 2.456 128 F HA -0.010 4.517 4.527 0.000 0.000 0.298 128 F C 2.565 178.319 175.800 -0.077 0.000 1.104 128 F CA 0.676 58.552 58.000 -0.207 0.000 1.435 128 F CB -0.449 38.306 39.000 -0.409 0.000 1.078 128 F HN 0.046 nan 8.300 nan 0.000 0.546 129 S N 0.679 116.449 115.700 0.116 0.000 2.374 129 S HA -0.174 4.296 4.470 0.000 0.000 0.227 129 S C -0.398 174.232 174.600 0.050 0.000 1.037 129 S CA 1.682 59.931 58.200 0.082 0.000 1.024 129 S CB -1.259 61.973 63.200 0.053 0.000 0.861 129 S HN 0.236 nan 8.310 nan 0.000 0.456 130 P HA 0.014 nan 4.420 nan 0.000 0.226 130 P C 0.788 178.089 177.300 0.000 0.000 1.153 130 P CA 0.769 63.867 63.100 -0.004 0.000 0.777 130 P CB -0.034 31.647 31.700 -0.033 0.000 0.794 131 V N -4.797 115.119 119.914 0.004 0.000 3.085 131 V HA 0.379 4.499 4.120 0.000 0.000 0.345 131 V C 0.015 176.157 176.094 0.081 0.000 1.397 131 V CA 0.002 62.312 62.300 0.017 0.000 1.165 131 V CB -0.572 31.228 31.823 -0.039 0.000 1.153 131 V HN 0.057 nan 8.190 nan 0.000 0.495 132 T N -3.891 110.728 114.554 0.109 0.000 2.843 132 T HA 0.500 4.850 4.350 0.000 0.000 0.302 132 T C 0.195 174.975 174.700 0.133 0.000 1.232 132 T CA -0.568 61.621 62.100 0.148 0.000 1.009 132 T CB 2.474 71.474 68.868 0.221 0.000 1.254 132 T HN 0.053 nan 8.240 nan 0.000 0.504 133 K N -0.615 119.874 120.400 0.147 0.000 2.186 133 K HA 0.141 4.461 4.320 0.000 0.000 0.202 133 K C -0.416 176.317 176.600 0.221 0.000 1.052 133 K CA 0.576 56.953 56.287 0.149 0.000 0.965 133 K CB 0.151 32.727 32.500 0.127 0.000 0.746 133 K HN 0.597 nan 8.250 nan 0.000 0.457 134 Y N 0.017 120.358 120.300 0.068 0.000 2.386 134 Y HA 0.472 5.022 4.550 0.000 0.000 0.334 134 Y C -1.883 174.074 175.900 0.095 0.000 1.002 134 Y CA -1.076 57.061 58.100 0.062 0.000 1.068 134 Y CB 1.865 40.343 38.460 0.030 0.000 1.203 134 Y HN -0.095 nan 8.280 nan 0.000 0.443 135 A N 7.679 130.360 122.820 -0.233 0.000 2.429 135 A HA 0.786 5.106 4.320 0.000 0.000 0.289 135 A C -1.978 175.428 177.584 -0.297 0.000 1.043 135 A CA -0.533 51.446 52.037 -0.096 0.000 0.722 135 A CB 0.857 19.944 19.000 0.146 0.000 1.243 135 A HN 0.864 nan 8.150 nan 0.000 0.415 136 I N 0.825 121.198 120.570 -0.328 0.000 2.908 136 I HA 0.459 4.629 4.170 0.000 0.000 0.300 136 I C -1.251 174.741 176.117 -0.208 0.000 1.385 136 I CA -0.346 60.780 61.300 -0.290 0.000 1.004 136 I CB 2.136 39.861 38.000 -0.458 0.000 1.309 136 I HN 0.811 nan 8.210 nan 0.000 0.449 137 E N 5.016 125.147 120.200 -0.116 0.000 2.171 137 E HA 0.487 4.837 4.350 0.000 0.000 0.271 137 E C -1.497 175.059 176.600 -0.074 0.000 0.916 137 E CA -0.725 55.619 56.400 -0.093 0.000 0.774 137 E CB 1.989 31.673 29.700 -0.027 0.000 1.128 137 E HN 0.427 nan 8.360 nan 0.000 0.403 138 V N 4.483 124.351 119.914 -0.077 0.000 2.439 138 V HA 0.074 4.194 4.120 0.000 0.000 0.271 138 V C 1.092 177.167 176.094 -0.031 0.000 1.040 138 V CA 0.488 62.758 62.300 -0.050 0.000 1.002 138 V CB 0.729 32.519 31.823 -0.054 0.000 1.000 138 V HN 0.938 nan 8.190 nan 0.000 0.477 139 T N 0.833 115.375 114.554 -0.020 0.000 3.044 139 T HA 0.478 4.828 4.350 0.000 0.000 0.260 139 T C 0.427 175.124 174.700 -0.006 0.000 1.019 139 T CA 0.449 62.543 62.100 -0.010 0.000 0.921 139 T CB 0.549 69.413 68.868 -0.006 0.000 1.053 139 T HN 0.769 nan 8.240 nan 0.000 0.533 140 A N 2.221 125.037 122.820 -0.007 0.000 2.363 140 A HA 0.719 5.039 4.320 0.000 0.000 0.296 140 A C -2.052 175.528 177.584 -0.005 0.000 1.237 140 A CA -1.693 50.343 52.037 -0.002 0.000 0.773 140 A CB 1.445 20.446 19.000 0.002 0.000 1.153 140 A HN -0.016 nan 8.150 nan 0.000 0.473 141 P HA -0.245 nan 4.420 nan 0.000 0.218 141 P C 0.915 178.209 177.300 -0.008 0.000 1.152 141 P CA 1.907 65.005 63.100 -0.004 0.000 0.857 141 P CB 0.184 31.890 31.700 0.010 0.000 0.787 142 D N -1.079 119.323 120.400 0.003 0.000 2.348 142 D HA -0.035 4.605 4.640 0.000 0.000 0.216 142 D C 1.276 177.574 176.300 -0.003 0.000 0.970 142 D CA 0.756 54.760 54.000 0.008 0.000 0.889 142 D CB -0.473 40.339 40.800 0.020 0.000 0.912 142 D HN 0.159 nan 8.370 nan 0.000 0.524 143 A N 0.093 122.908 122.820 -0.008 0.000 2.345 143 A HA 0.214 4.534 4.320 0.000 0.000 0.225 143 A C 1.830 179.402 177.584 -0.020 0.000 1.243 143 A CA -0.353 51.680 52.037 -0.006 0.000 0.875 143 A CB -0.272 18.730 19.000 0.003 0.000 0.929 143 A HN 0.138 nan 8.150 nan 0.000 0.502 144 L N 0.165 121.362 121.223 -0.043 0.000 1.970 144 L HA -0.166 4.174 4.340 0.000 0.000 0.212 144 L C 2.714 179.538 176.870 -0.078 0.000 1.071 144 L CA 2.509 57.308 54.840 -0.069 0.000 0.751 144 L CB -0.808 41.189 42.059 -0.104 0.000 0.889 144 L HN 0.380 nan 8.230 nan 0.000 0.432 145 A N -0.410 122.349 122.820 -0.101 0.000 1.902 145 A HA -0.257 4.063 4.320 0.000 0.000 0.217 145 A C 2.109 179.662 177.584 -0.053 0.000 1.181 145 A CA 1.815 53.790 52.037 -0.104 0.000 0.623 145 A CB -0.792 18.139 19.000 -0.116 0.000 0.818 145 A HN 0.730 nan 8.150 nan 0.000 0.443 146 E N -0.311 119.873 120.200 -0.027 0.000 2.072 146 E HA -0.124 4.226 4.350 0.000 0.000 0.191 146 E C 1.737 178.348 176.600 0.019 0.000 0.985 146 E CA 1.482 57.880 56.400 -0.004 0.000 0.801 146 E CB -0.646 29.059 29.700 0.008 0.000 0.750 146 E HN 0.256 nan 8.360 nan 0.000 0.452 147 V N 1.597 121.533 119.914 0.036 0.000 2.343 147 V HA -0.239 3.881 4.120 0.000 0.000 0.247 147 V C 2.510 178.662 176.094 0.095 0.000 1.051 147 V CA 1.563 63.921 62.300 0.097 0.000 1.036 147 V CB -0.229 31.637 31.823 0.072 0.000 0.654 147 V HN 0.211 nan 8.190 nan 0.000 0.451 148 V N -0.514 119.430 119.914 0.051 0.000 2.295 148 V HA -0.249 3.871 4.120 0.000 0.000 0.246 148 V C 2.657 178.844 176.094 0.155 0.000 1.049 148 V CA 2.326 64.683 62.300 0.095 0.000 1.024 148 V CB -0.700 31.151 31.823 0.047 0.000 0.648 148 V HN 0.614 nan 8.190 nan 0.000 0.447 149 S N 0.481 116.211 115.700 0.050 0.000 2.370 149 S HA -0.219 4.251 4.470 0.000 0.000 0.226 149 S C 1.867 176.480 174.600 0.021 0.000 1.033 149 S CA 1.818 60.031 58.200 0.022 0.000 1.011 149 S CB -0.471 62.708 63.200 -0.035 0.000 0.852 149 S HN 0.658 nan 8.310 nan 0.000 0.457 150 N N 1.370 120.042 118.700 -0.046 0.000 2.396 150 N HA 0.086 4.826 4.740 0.000 0.000 0.180 150 N C 1.719 176.926 175.510 -0.505 0.000 1.028 150 N CA 1.004 53.938 53.050 -0.193 0.000 0.893 150 N CB -0.560 37.845 38.487 -0.137 0.000 0.967 150 N HN 0.530 nan 8.380 nan 0.000 0.440 151 A N 0.272 122.859 122.820 -0.387 0.000 1.897 151 A HA -0.015 4.305 4.320 0.000 0.000 0.215 151 A C 1.902 179.307 177.584 -0.298 0.000 1.181 151 A CA 0.760 52.509 52.037 -0.481 0.000 0.620 151 A CB -0.694 18.254 19.000 -0.087 0.000 0.821 151 A HN 0.118 nan 8.150 nan 0.000 0.443 152 F N 0.002 119.845 119.950 -0.179 0.000 2.146 152 F HA -0.086 4.441 4.527 0.000 0.000 0.298 152 F C 2.568 178.299 175.800 -0.115 0.000 1.096 152 F CA 1.670 59.605 58.000 -0.110 0.000 1.275 152 F CB -0.303 38.650 39.000 -0.079 0.000 1.008 152 F HN 0.088 nan 8.300 nan 0.000 0.480 153 R N -0.067 120.456 120.500 0.037 0.000 2.073 153 R HA -0.143 4.197 4.340 0.000 0.000 0.234 153 R C 2.423 178.683 176.300 -0.067 0.000 1.134 153 R CA 1.361 57.451 56.100 -0.018 0.000 0.952 153 R CB -0.853 29.422 30.300 -0.043 0.000 0.850 153 R HN 0.270 nan 8.270 nan 0.000 0.433 154 A N 0.849 123.565 122.820 -0.173 0.000 1.972 154 A HA -0.078 4.242 4.320 0.000 0.000 0.219 154 A C 2.260 179.802 177.584 -0.070 0.000 1.169 154 A CA 1.656 53.606 52.037 -0.144 0.000 0.635 154 A CB -0.466 18.362 19.000 -0.287 0.000 0.810 154 A HN 0.421 nan 8.150 nan 0.000 0.446 155 A N -0.241 122.522 122.820 -0.096 0.000 1.898 155 A HA -0.030 4.290 4.320 0.000 0.000 0.214 155 A C 1.883 179.455 177.584 -0.020 0.000 1.183 155 A CA 1.361 53.363 52.037 -0.059 0.000 0.622 155 A CB -0.285 18.635 19.000 -0.133 0.000 0.824 155 A HN 0.594 nan 8.150 nan 0.000 0.444 156 E N -0.256 119.941 120.200 -0.005 0.000 2.190 156 E HA 0.006 4.356 4.350 0.000 0.000 0.191 156 E C 0.580 177.193 176.600 0.022 0.000 0.978 156 E CA 0.054 56.467 56.400 0.023 0.000 0.839 156 E CB 0.050 29.784 29.700 0.056 0.000 0.787 156 E HN 0.677 nan 8.360 nan 0.000 0.473 157 Q N 0.052 119.862 119.800 0.016 0.000 2.318 157 Q HA 0.352 4.692 4.340 0.000 0.000 0.222 157 Q C 0.764 176.781 176.000 0.028 0.000 1.003 157 Q CA 0.073 55.888 55.803 0.020 0.000 0.936 157 Q CB 1.111 29.858 28.738 0.014 0.000 1.204 157 Q HN 0.214 nan 8.270 nan 0.000 0.524 158 G N 1.139 109.960 108.800 0.035 0.000 2.596 158 G HA2 -0.381 3.579 3.960 0.000 0.000 0.295 158 G HA3 -0.381 3.579 3.960 0.000 0.000 0.295 158 G C -0.318 174.613 174.900 0.053 0.000 1.240 158 G CA 0.396 45.527 45.100 0.051 0.000 0.985 158 G HN 0.650 nan 8.290 nan 0.000 0.555 159 R N 1.945 122.484 120.500 0.066 0.000 2.220 159 R HA 0.487 4.827 4.340 0.000 0.000 0.340 159 R C -2.148 174.178 176.300 0.043 0.000 1.076 159 R CA -1.248 54.885 56.100 0.055 0.000 0.920 159 R CB 0.440 30.777 30.300 0.062 0.000 1.062 159 R HN 0.315 nan 8.270 nan 0.000 0.469 160 P HA 0.038 nan 4.420 nan 0.000 0.267 160 P C -0.351 176.969 177.300 0.034 0.000 1.195 160 P CA 0.251 63.368 63.100 0.028 0.000 0.773 160 P CB 0.866 32.579 31.700 0.021 0.000 0.837 161 G N -0.207 108.614 108.800 0.035 0.000 2.489 161 G HA2 0.507 4.467 3.960 0.000 0.000 0.305 161 G HA3 0.507 4.467 3.960 0.000 0.000 0.305 161 G C -1.294 173.636 174.900 0.050 0.000 1.311 161 G CA -0.469 44.661 45.100 0.050 0.000 0.813 161 G HN 0.530 nan 8.290 nan 0.000 0.480 162 S N -1.121 114.625 115.700 0.077 0.000 2.617 162 S HA 0.852 5.322 4.470 0.000 0.000 0.283 162 S C -0.088 174.582 174.600 0.117 0.000 1.189 162 S CA 0.099 58.350 58.200 0.086 0.000 1.036 162 S CB 1.821 65.093 63.200 0.120 0.000 1.014 162 S HN 2.036 nan 8.310 nan 0.000 0.522 163 A N 1.764 124.645 122.820 0.102 0.000 2.374 163 A HA 0.740 5.060 4.320 0.000 0.000 0.305 163 A C -1.302 176.383 177.584 0.169 0.000 1.053 163 A CA -0.669 51.479 52.037 0.184 0.000 0.726 163 A CB 0.947 20.019 19.000 0.119 0.000 1.229 163 A HN 0.921 nan 8.150 nan 0.000 0.431 164 F N 2.891 122.845 119.950 0.006 0.000 2.482 164 F HA 0.690 5.217 4.527 0.000 0.000 0.331 164 F C -1.003 174.702 175.800 -0.158 0.000 1.115 164 F CA -0.806 57.076 58.000 -0.197 0.000 0.955 164 F CB 1.943 40.659 39.000 -0.474 0.000 1.136 164 F HN 0.340 nan 8.300 nan 0.000 0.452 165 V N 4.959 124.218 119.914 -1.092 0.000 2.483 165 V HA 0.347 4.467 4.120 0.000 0.000 0.297 165 V C -0.446 174.960 176.094 -1.147 0.000 1.027 165 V CA -0.808 60.990 62.300 -0.837 0.000 0.855 165 V CB 1.429 33.050 31.823 -0.338 0.000 0.995 165 V HN 0.824 nan 8.190 nan 0.000 0.424 166 S N 6.013 121.195 115.700 -0.864 0.000 2.452 166 S HA 0.639 5.109 4.470 0.000 0.000 0.284 166 S C -0.536 173.926 174.600 -0.230 0.000 1.171 166 S CA -0.483 57.437 58.200 -0.466 0.000 1.064 166 S CB 0.157 63.286 63.200 -0.118 0.000 0.967 166 S HN 0.581 nan 8.310 nan 0.000 0.484 167 L N 7.137 128.265 121.223 -0.157 0.000 2.313 167 L HA 0.403 4.743 4.340 0.000 0.000 0.273 167 L C -2.335 174.513 176.870 -0.038 0.000 1.028 167 L CA -2.235 52.550 54.840 -0.092 0.000 0.871 167 L CB 1.220 43.226 42.059 -0.089 0.000 1.242 167 L HN 0.440 nan 8.230 nan 0.000 0.434 168 P HA -0.081 nan 4.420 nan 0.000 0.264 168 P C 0.499 177.801 177.300 0.002 0.000 1.183 168 P CA 0.188 63.286 63.100 -0.003 0.000 0.763 168 P CB 0.695 32.394 31.700 -0.003 0.000 0.807 169 Q N 3.293 123.100 119.800 0.012 0.000 2.077 169 Q HA -0.290 4.050 4.340 0.000 0.000 0.206 169 Q C 1.385 177.396 176.000 0.019 0.000 0.989 169 Q CA 2.280 58.093 55.803 0.016 0.000 0.853 169 Q CB -0.305 28.444 28.738 0.019 0.000 0.907 169 Q HN 0.547 nan 8.270 nan 0.000 0.418 170 D N -0.604 119.807 120.400 0.019 0.000 2.178 170 D HA -0.142 4.498 4.640 0.000 0.000 0.201 170 D C 1.853 178.171 176.300 0.029 0.000 0.980 170 D CA 1.234 55.250 54.000 0.026 0.000 0.842 170 D CB -0.413 40.400 40.800 0.021 0.000 0.948 170 D HN 0.273 nan 8.370 nan 0.000 0.472 171 V N 1.379 121.303 119.914 0.016 0.000 2.358 171 V HA -0.202 3.918 4.120 0.000 0.000 0.246 171 V C 2.922 179.026 176.094 0.017 0.000 1.047 171 V CA 1.694 64.000 62.300 0.011 0.000 1.035 171 V CB -0.359 31.459 31.823 -0.007 0.000 0.658 171 V HN 0.330 nan 8.190 nan 0.000 0.452 172 V N -1.933 117.989 119.914 0.013 0.000 2.719 172 V HA -0.069 4.051 4.120 0.000 0.000 0.252 172 V C 1.862 177.993 176.094 0.062 0.000 1.065 172 V CA 1.887 64.197 62.300 0.017 0.000 1.086 172 V CB -0.679 31.142 31.823 -0.004 0.000 0.700 172 V HN 0.416 nan 8.190 nan 0.000 0.467 173 D N 1.626 122.066 120.400 0.068 0.000 2.183 173 D HA 0.173 4.813 4.640 0.000 0.000 0.205 173 D C 1.453 177.901 176.300 0.247 0.000 0.962 173 D CA 1.303 55.372 54.000 0.115 0.000 0.849 173 D CB -0.377 40.462 40.800 0.065 0.000 0.978 173 D HN 0.631 nan 8.370 nan 0.000 0.488 174 G N 0.964 109.849 108.800 0.141 0.000 2.599 174 G HA2 0.374 4.334 3.960 0.000 0.000 0.264 174 G HA3 0.374 4.334 3.960 0.000 0.000 0.264 174 G C -2.411 172.541 174.900 0.088 0.000 1.200 174 G CA -0.943 44.222 45.100 0.109 0.000 0.896 174 G HN -0.045 nan 8.290 nan 0.000 0.536 175 P HA 0.342 nan 4.420 nan 0.000 0.274 175 P C -0.348 176.992 177.300 0.068 0.000 1.237 175 P CA -0.131 62.986 63.100 0.029 0.000 0.793 175 P CB 1.567 33.262 31.700 -0.007 0.000 0.977 176 V N -2.269 117.720 119.914 0.125 0.000 3.147 176 V HA 0.744 4.864 4.120 0.000 0.000 0.306 176 V C -0.768 175.465 176.094 0.232 0.000 1.209 176 V CA -0.964 61.414 62.300 0.130 0.000 1.023 176 V CB 1.644 33.508 31.823 0.069 0.000 1.059 176 V HN 0.613 nan 8.190 nan 0.000 0.435 177 S N 0.805 116.611 115.700 0.178 0.000 2.473 177 S HA 0.984 5.454 4.470 0.000 0.000 0.307 177 S C -0.143 174.580 174.600 0.204 0.000 1.094 177 S CA 0.515 58.831 58.200 0.194 0.000 1.070 177 S CB 0.826 64.083 63.200 0.095 0.000 1.019 177 S HN 2.596 nan 8.310 nan 0.000 0.480 178 G N 3.327 112.303 108.800 0.293 0.000 2.347 178 G HA2 0.318 4.278 3.960 0.000 0.000 0.303 178 G HA3 0.318 4.278 3.960 0.000 0.000 0.303 178 G C -1.911 173.217 174.900 0.382 0.000 1.481 178 G CA -0.848 44.391 45.100 0.232 0.000 0.914 178 G HN 0.849 nan 8.290 nan 0.000 0.638 179 K N -0.648 119.887 120.400 0.224 0.000 2.221 179 K HA 0.815 5.135 4.320 0.000 0.000 0.243 179 K C -0.376 176.310 176.600 0.144 0.000 0.968 179 K CA -0.947 55.483 56.287 0.239 0.000 0.846 179 K CB 2.455 35.034 32.500 0.131 0.000 1.141 179 K HN 0.356 nan 8.250 nan 0.000 0.434 180 V N 2.667 122.674 119.914 0.155 0.000 2.572 180 V HA 0.058 4.178 4.120 0.000 0.000 0.291 180 V C 0.303 176.403 176.094 0.010 0.000 1.039 180 V CA -0.446 61.877 62.300 0.039 0.000 1.055 180 V CB 0.351 32.208 31.823 0.057 0.000 0.969 180 V HN 0.547 nan 8.190 nan 0.000 0.482 181 L N 8.162 129.368 121.223 -0.029 0.000 2.325 181 L HA 0.301 4.641 4.340 0.000 0.000 0.284 181 L C -1.816 175.028 176.870 -0.044 0.000 1.089 181 L CA -1.595 53.227 54.840 -0.029 0.000 0.836 181 L CB 0.915 42.952 42.059 -0.036 0.000 1.184 181 L HN 0.468 nan 8.230 nan 0.000 0.444 182 P HA -0.023 nan 4.420 nan 0.000 0.260 182 P C -0.258 177.011 177.300 -0.052 0.000 1.185 182 P CA -0.211 62.867 63.100 -0.038 0.000 0.763 182 P CB 0.774 32.461 31.700 -0.021 0.000 0.776 183 A N 3.534 126.308 122.820 -0.076 0.000 2.513 183 A HA 0.306 4.626 4.320 0.000 0.000 0.274 183 A C 1.903 179.455 177.584 -0.052 0.000 1.115 183 A CA 0.609 52.595 52.037 -0.086 0.000 0.792 183 A CB -0.949 17.976 19.000 -0.126 0.000 1.053 183 A HN 0.668 nan 8.150 nan 0.000 0.515 184 S N 2.158 117.835 115.700 -0.038 0.000 2.461 184 S HA 0.364 4.834 4.470 0.000 0.000 0.228 184 S C 1.830 176.419 174.600 -0.018 0.000 1.005 184 S CA 1.452 59.638 58.200 -0.023 0.000 0.942 184 S CB -0.442 62.748 63.200 -0.016 0.000 0.776 184 S HN 2.525 nan 8.310 nan 0.000 0.514 185 G N 0.281 109.070 108.800 -0.019 0.000 2.559 185 G HA2 0.145 4.105 3.960 0.000 0.000 0.282 185 G HA3 0.145 4.105 3.960 0.000 0.000 0.282 185 G C 0.353 175.254 174.900 0.003 0.000 1.177 185 G CA 0.393 45.489 45.100 -0.006 0.000 0.960 185 G HN 1.726 nan 8.290 nan 0.000 0.540 186 A N 1.594 124.415 122.820 0.003 0.000 2.276 186 A HA 0.776 5.096 4.320 0.000 0.000 0.316 186 A C -1.556 176.030 177.584 0.003 0.000 1.229 186 A CA -0.486 51.555 52.037 0.005 0.000 0.851 186 A CB 0.537 19.541 19.000 0.007 0.000 1.165 186 A HN 0.621 nan 8.150 nan 0.000 0.513 187 P HA 0.142 nan 4.420 nan 0.000 0.270 187 P C -0.558 176.744 177.300 0.004 0.000 1.223 187 P CA -0.088 63.015 63.100 0.004 0.000 0.785 187 P CB 0.389 32.092 31.700 0.006 0.000 0.923 188 Q N 1.188 120.990 119.800 0.003 0.000 2.534 188 Q HA 0.244 4.584 4.340 0.000 0.000 0.223 188 Q C -0.256 175.747 176.000 0.005 0.000 1.239 188 Q CA 0.081 55.885 55.803 0.003 0.000 0.936 188 Q CB 0.130 28.869 28.738 0.002 0.000 1.457 188 Q HN 0.451 nan 8.270 nan 0.000 0.547 189 M N 1.267 120.871 119.600 0.006 0.000 2.264 189 M HA 0.423 4.903 4.480 0.000 0.000 0.352 189 M C 0.100 176.404 176.300 0.007 0.000 1.173 189 M CA -0.354 54.951 55.300 0.008 0.000 1.075 189 M CB 0.953 33.560 32.600 0.012 0.000 1.621 189 M HN 0.564 nan 8.290 nan 0.000 0.457 190 G N 2.564 111.369 108.800 0.008 0.000 2.476 190 G HA2 0.609 4.569 3.960 0.000 0.000 0.286 190 G HA3 0.609 4.569 3.960 0.000 0.000 0.286 190 G C -0.411 174.493 174.900 0.008 0.000 1.177 190 G CA -0.564 44.540 45.100 0.007 0.000 0.870 190 G HN 0.981 nan 8.290 nan 0.000 0.528 191 A N 0.318 123.141 122.820 0.006 0.000 2.387 191 A HA 0.638 4.958 4.320 0.000 0.000 0.251 191 A C 1.266 178.856 177.584 0.010 0.000 1.113 191 A CA 0.432 52.472 52.037 0.006 0.000 0.794 191 A CB -0.285 18.716 19.000 0.003 0.000 1.069 191 A HN 1.916 nan 8.150 nan 0.000 0.506 192 A N 0.324 123.151 122.820 0.012 0.000 2.455 192 A HA 0.485 4.805 4.320 0.000 0.000 0.244 192 A C -2.208 175.385 177.584 0.016 0.000 1.099 192 A CA -0.661 51.387 52.037 0.018 0.000 0.786 192 A CB -1.058 17.955 19.000 0.022 0.000 1.051 192 A HN 0.620 nan 8.150 nan 0.000 0.508 193 P HA 0.085 nan 4.420 nan 0.000 0.268 193 P C -0.051 177.258 177.300 0.014 0.000 1.205 193 P CA -0.167 62.942 63.100 0.015 0.000 0.771 193 P CB 0.485 32.194 31.700 0.016 0.000 0.858 194 D N 1.752 122.159 120.400 0.012 0.000 2.158 194 D HA -0.188 4.452 4.640 0.000 0.000 0.197 194 D C 1.044 177.351 176.300 0.012 0.000 0.995 194 D CA 1.410 55.416 54.000 0.011 0.000 0.846 194 D CB -0.215 40.591 40.800 0.008 0.000 0.941 194 D HN 0.469 nan 8.370 nan 0.000 0.456 195 D N 0.795 121.202 120.400 0.012 0.000 2.117 195 D HA -0.103 4.537 4.640 0.000 0.000 0.197 195 D C 2.118 178.427 176.300 0.015 0.000 0.987 195 D CA 1.120 55.127 54.000 0.012 0.000 0.829 195 D CB -0.071 40.736 40.800 0.011 0.000 0.961 195 D HN 0.127 nan 8.370 nan 0.000 0.460 196 A N 1.160 123.990 122.820 0.018 0.000 1.877 196 A HA -0.150 4.170 4.320 0.000 0.000 0.216 196 A C 2.393 179.992 177.584 0.025 0.000 1.186 196 A CA 0.934 52.985 52.037 0.023 0.000 0.620 196 A CB -0.715 18.301 19.000 0.026 0.000 0.822 196 A HN 0.181 nan 8.150 nan 0.000 0.443 197 I N -0.018 120.566 120.570 0.023 0.000 2.179 197 I HA -0.252 3.918 4.170 0.000 0.000 0.242 197 I C 1.863 177.994 176.117 0.023 0.000 1.088 197 I CA 1.600 62.915 61.300 0.025 0.000 1.357 197 I CB -0.679 37.334 38.000 0.021 0.000 1.051 197 I HN 0.291 nan 8.210 nan 0.000 0.409 198 D N 0.513 120.924 120.400 0.017 0.000 2.149 198 D HA -0.259 4.381 4.640 0.000 0.000 0.198 198 D C 2.077 178.386 176.300 0.014 0.000 0.990 198 D CA 1.285 55.293 54.000 0.013 0.000 0.839 198 D CB -0.335 40.471 40.800 0.009 0.000 0.948 198 D HN 0.479 nan 8.370 nan 0.000 0.460 199 Q N 0.734 120.543 119.800 0.016 0.000 2.170 199 Q HA -0.128 4.212 4.340 0.000 0.000 0.203 199 Q C 1.986 177.998 176.000 0.020 0.000 0.976 199 Q CA 1.069 56.882 55.803 0.016 0.000 0.858 199 Q CB 0.229 28.978 28.738 0.017 0.000 0.907 199 Q HN 0.100 nan 8.270 nan 0.000 0.433 200 V N 0.580 120.510 119.914 0.027 0.000 2.488 200 V HA -0.110 4.010 4.120 0.000 0.000 0.246 200 V C 2.315 178.427 176.094 0.031 0.000 1.046 200 V CA 1.337 63.658 62.300 0.035 0.000 1.053 200 V CB -0.663 31.190 31.823 0.051 0.000 0.679 200 V HN 0.485 nan 8.190 nan 0.000 0.458 201 A N 0.142 122.978 122.820 0.026 0.000 1.933 201 A HA -0.221 4.099 4.320 0.000 0.000 0.218 201 A C 2.272 179.859 177.584 0.004 0.000 1.175 201 A CA 1.841 53.889 52.037 0.018 0.000 0.628 201 A CB -0.375 18.631 19.000 0.011 0.000 0.814 201 A HN 0.534 nan 8.150 nan 0.000 0.444 202 K N -0.450 119.953 120.400 0.005 0.000 2.148 202 K HA 0.052 4.372 4.320 0.000 0.000 0.204 202 K C 1.753 178.355 176.600 0.004 0.000 1.050 202 K CA 1.037 57.325 56.287 0.002 0.000 0.942 202 K CB -0.289 32.213 32.500 0.004 0.000 0.724 202 K HN 0.457 nan 8.250 nan 0.000 0.446 203 L N 0.715 121.942 121.223 0.008 0.000 2.109 203 L HA -0.128 4.212 4.340 0.000 0.000 0.207 203 L C 2.272 179.142 176.870 0.001 0.000 1.086 203 L CA 0.963 55.807 54.840 0.006 0.000 0.760 203 L CB -0.306 41.759 42.059 0.011 0.000 0.910 203 L HN 0.154 nan 8.230 nan 0.000 0.437 204 I N 0.042 120.613 120.570 0.000 0.000 2.226 204 I HA -0.259 3.911 4.170 0.000 0.000 0.245 204 I C 2.675 178.792 176.117 -0.001 0.000 1.100 204 I CA 1.163 62.459 61.300 -0.008 0.000 1.374 204 I CB -0.398 37.605 38.000 0.005 0.000 1.057 204 I HN 0.190 nan 8.210 nan 0.000 0.413 205 A N -0.379 122.437 122.820 -0.007 0.000 2.121 205 A HA -0.224 4.096 4.320 0.000 0.000 0.218 205 A C 2.277 179.874 177.584 0.022 0.000 1.154 205 A CA 1.363 53.395 52.037 -0.008 0.000 0.679 205 A CB -0.442 18.538 19.000 -0.033 0.000 0.795 205 A HN 0.541 nan 8.150 nan 0.000 0.458 206 Q N -0.654 119.155 119.800 0.015 0.000 2.349 206 Q HA 0.281 4.621 4.340 0.000 0.000 0.209 206 Q C 0.930 176.940 176.000 0.016 0.000 0.920 206 Q CA 0.495 56.308 55.803 0.017 0.000 0.901 206 Q CB -0.003 28.742 28.738 0.010 0.000 1.021 206 Q HN 0.545 nan 8.270 nan 0.000 0.519 207 A N 0.801 123.626 122.820 0.009 0.000 2.511 207 A HA 0.354 4.674 4.320 0.000 0.000 0.242 207 A C 0.822 178.410 177.584 0.008 0.000 1.069 207 A CA 0.742 52.779 52.037 0.001 0.000 0.763 207 A CB 0.566 19.555 19.000 -0.019 0.000 1.001 207 A HN 0.439 nan 8.150 nan 0.000 0.498 208 K N 1.651 122.054 120.400 0.004 0.000 2.242 208 K HA 0.097 4.417 4.320 0.000 0.000 0.200 208 K C 0.487 177.086 176.600 -0.001 0.000 1.050 208 K CA 1.464 57.755 56.287 0.006 0.000 0.981 208 K CB -0.238 32.265 32.500 0.005 0.000 0.795 208 K HN 0.814 nan 8.250 nan 0.000 0.477 209 N N 0.966 119.661 118.700 -0.009 0.000 2.813 209 N HA 0.198 4.938 4.740 0.000 0.000 0.282 209 N C -3.048 172.440 175.510 -0.037 0.000 1.748 209 N CA -1.447 51.593 53.050 -0.016 0.000 0.860 209 N CB 2.208 40.690 38.487 -0.008 0.000 1.204 209 N HN 0.293 nan 8.380 nan 0.000 0.490 210 P HA 0.362 nan 4.420 nan 0.000 0.279 210 P C -0.599 176.594 177.300 -0.178 0.000 1.252 210 P CA -0.429 62.592 63.100 -0.131 0.000 0.811 210 P CB 2.049 33.650 31.700 -0.165 0.000 1.035 211 I N 0.377 120.790 120.570 -0.261 0.000 2.842 211 I HA 0.384 4.554 4.170 0.000 0.000 0.297 211 I C -1.566 174.366 176.117 -0.309 0.000 1.380 211 I CA -1.092 60.060 61.300 -0.247 0.000 1.018 211 I CB 1.566 39.500 38.000 -0.111 0.000 1.311 211 I HN 0.127 nan 8.210 nan 0.000 0.439 212 F N 6.887 126.815 119.950 -0.037 0.000 2.420 212 F HA 0.525 5.052 4.527 0.000 0.000 0.342 212 F C -0.437 175.284 175.800 -0.133 0.000 1.113 212 F CA -0.803 57.156 58.000 -0.068 0.000 1.059 212 F CB 1.759 40.725 39.000 -0.058 0.000 1.128 212 F HN 0.222 nan 8.300 nan 0.000 0.475 213 L N 5.694 126.923 121.223 0.011 0.000 2.319 213 L HA 0.527 4.867 4.340 0.000 0.000 0.281 213 L C -1.251 175.551 176.870 -0.112 0.000 1.005 213 L CA -0.478 54.243 54.840 -0.198 0.000 0.828 213 L CB 0.837 42.578 42.059 -0.531 0.000 1.227 213 L HN 0.466 nan 8.230 nan 0.000 0.415 214 L N 5.327 126.508 121.223 -0.070 0.000 2.289 214 L HA 0.762 5.103 4.340 0.000 0.000 0.285 214 L C 0.780 177.674 176.870 0.041 0.000 1.049 214 L CA -0.383 54.447 54.840 -0.015 0.000 0.804 214 L CB 1.223 43.268 42.059 -0.023 0.000 1.195 214 L HN 0.774 nan 8.230 nan 0.000 0.428 215 G N 1.026 109.897 108.800 0.118 0.000 2.932 215 G HA2 0.400 4.360 3.960 0.000 0.000 0.283 215 G HA3 0.400 4.360 3.960 0.000 0.000 0.283 215 G C 0.393 175.345 174.900 0.087 0.000 1.336 215 G CA -0.738 44.474 45.100 0.187 0.000 1.056 215 G HN 0.529 nan 8.290 nan 0.000 0.522 216 L N -0.118 121.147 121.223 0.070 0.000 1.997 216 L HA -0.212 4.128 4.340 0.000 0.000 0.227 216 L C 2.639 179.521 176.870 0.020 0.000 1.087 216 L CA 2.415 57.275 54.840 0.033 0.000 0.797 216 L CB -0.383 41.690 42.059 0.022 0.000 0.902 216 L HN 0.394 nan 8.230 nan 0.000 0.441 217 M N -0.704 118.912 119.600 0.027 0.000 2.435 217 M HA -0.102 4.378 4.480 0.000 0.000 0.262 217 M C 2.242 178.539 176.300 -0.006 0.000 1.065 217 M CA 1.518 56.826 55.300 0.014 0.000 1.076 217 M CB -1.960 30.655 32.600 0.024 0.000 1.403 217 M HN 0.548 nan 8.290 nan 0.000 0.454 218 A N -0.142 122.674 122.820 -0.008 0.000 2.067 218 A HA -0.023 4.297 4.320 0.000 0.000 0.217 218 A C 2.242 179.796 177.584 -0.050 0.000 1.156 218 A CA 1.509 53.522 52.037 -0.040 0.000 0.683 218 A CB -0.549 18.423 19.000 -0.046 0.000 0.808 218 A HN 0.574 nan 8.150 nan 0.000 0.455 219 S N -0.749 114.930 115.700 -0.035 0.000 2.575 219 S HA 0.090 4.560 4.470 0.000 0.000 0.215 219 S C 0.512 175.087 174.600 -0.041 0.000 0.966 219 S CA -0.383 57.791 58.200 -0.044 0.000 0.911 219 S CB -0.138 63.039 63.200 -0.039 0.000 0.780 219 S HN 0.431 nan 8.310 nan 0.000 0.514 220 Q N 2.584 122.365 119.800 -0.032 0.000 2.361 220 Q HA 0.194 4.534 4.340 0.000 0.000 0.276 220 Q C -1.481 174.499 176.000 -0.032 0.000 1.022 220 Q CA -1.874 53.913 55.803 -0.027 0.000 0.898 220 Q CB 0.338 29.066 28.738 -0.017 0.000 1.246 220 Q HN 0.226 nan 8.270 nan 0.000 0.410 221 P HA -0.210 nan 4.420 nan 0.000 0.216 221 P C 0.785 178.069 177.300 -0.028 0.000 1.150 221 P CA 1.415 64.498 63.100 -0.029 0.000 0.837 221 P CB 0.262 31.948 31.700 -0.023 0.000 0.786 222 E N -0.321 119.866 120.200 -0.022 0.000 2.478 222 E HA -0.108 4.242 4.350 0.000 0.000 0.198 222 E C 0.833 177.415 176.600 -0.029 0.000 1.046 222 E CA 0.722 57.109 56.400 -0.021 0.000 0.870 222 E CB -0.791 28.901 29.700 -0.014 0.000 0.818 222 E HN 0.286 nan 8.360 nan 0.000 0.527 223 N N 0.639 119.317 118.700 -0.037 0.000 2.205 223 N HA 0.011 4.751 4.740 0.000 0.000 0.201 223 N C 1.321 176.792 175.510 -0.065 0.000 1.128 223 N CA 0.329 53.349 53.050 -0.050 0.000 0.867 223 N CB 0.685 39.140 38.487 -0.052 0.000 0.996 223 N HN 0.095 nan 8.380 nan 0.000 0.503 224 S N 1.648 117.314 115.700 -0.058 0.000 2.359 224 S HA -0.215 4.255 4.470 0.000 0.000 0.224 224 S C 2.291 176.850 174.600 -0.067 0.000 1.035 224 S CA 2.248 60.409 58.200 -0.066 0.000 1.018 224 S CB 0.022 63.191 63.200 -0.053 0.000 0.876 224 S HN 0.495 nan 8.310 nan 0.000 0.448 225 K N 0.881 121.250 120.400 -0.052 0.000 2.057 225 K HA 0.271 4.591 4.320 0.000 0.000 0.206 225 K C 2.375 178.941 176.600 -0.056 0.000 1.050 225 K CA 1.649 57.908 56.287 -0.046 0.000 0.935 225 K CB -1.588 30.893 32.500 -0.033 0.000 0.715 225 K HN 0.637 nan 8.250 nan 0.000 0.439 226 A N 0.641 123.425 122.820 -0.061 0.000 1.877 226 A HA 0.060 4.380 4.320 0.000 0.000 0.216 226 A C 2.411 179.930 177.584 -0.108 0.000 1.186 226 A CA 1.711 53.706 52.037 -0.071 0.000 0.620 226 A CB -0.459 18.502 19.000 -0.066 0.000 0.822 226 A HN 0.549 nan 8.150 nan 0.000 0.443 227 L N -0.088 121.054 121.223 -0.135 0.000 2.017 227 L HA -0.137 4.203 4.340 0.000 0.000 0.208 227 L C 2.460 179.207 176.870 -0.206 0.000 1.073 227 L CA 2.469 57.187 54.840 -0.203 0.000 0.745 227 L CB -0.625 41.315 42.059 -0.199 0.000 0.894 227 L HN 0.474 nan 8.230 nan 0.000 0.432 228 R N -0.574 119.838 120.500 -0.146 0.000 2.083 228 R HA -0.225 4.115 4.340 0.000 0.000 0.237 228 R C 2.600 178.853 176.300 -0.078 0.000 1.137 228 R CA 1.865 57.895 56.100 -0.118 0.000 0.951 228 R CB -0.349 29.907 30.300 -0.072 0.000 0.851 228 R HN 0.407 nan 8.270 nan 0.000 0.434 229 R N 0.332 120.796 120.500 -0.059 0.000 2.081 229 R HA -0.156 4.184 4.340 0.000 0.000 0.235 229 R C 2.254 178.544 176.300 -0.016 0.000 1.131 229 R CA 1.547 57.633 56.100 -0.023 0.000 0.960 229 R CB -0.331 29.956 30.300 -0.022 0.000 0.856 229 R HN 0.292 nan 8.270 nan 0.000 0.436 230 L N 0.932 122.114 121.223 -0.069 0.000 2.109 230 L HA -0.048 4.292 4.340 0.000 0.000 0.207 230 L C 1.931 178.790 176.870 -0.017 0.000 1.086 230 L CA 1.487 56.290 54.840 -0.062 0.000 0.760 230 L CB -0.177 41.776 42.059 -0.177 0.000 0.910 230 L HN 0.223 nan 8.230 nan 0.000 0.437 231 L N -0.739 120.417 121.223 -0.112 0.000 2.109 231 L HA -0.141 4.199 4.340 0.000 0.000 0.207 231 L C 2.527 179.517 176.870 0.200 0.000 1.086 231 L CA 1.449 56.235 54.840 -0.090 0.000 0.760 231 L CB -0.541 41.184 42.059 -0.556 0.000 0.910 231 L HN 0.403 nan 8.230 nan 0.000 0.437 232 E N -0.202 120.102 120.200 0.173 0.000 2.106 232 E HA -0.178 4.172 4.350 0.000 0.000 0.192 232 E C 1.904 178.716 176.600 0.353 0.000 0.984 232 E CA 1.611 58.199 56.400 0.314 0.000 0.806 232 E CB 0.173 29.981 29.700 0.181 0.000 0.750 232 E HN 0.353 nan 8.360 nan 0.000 0.458 233 T N -0.146 114.537 114.554 0.215 0.000 2.812 233 T HA -0.123 4.227 4.350 0.000 0.000 0.264 233 T C 2.071 176.892 174.700 0.201 0.000 1.042 233 T CA 1.438 63.634 62.100 0.160 0.000 1.140 233 T CB -0.163 68.765 68.868 0.099 0.000 0.870 233 T HN 0.294 nan 8.240 nan 0.000 0.445 234 S N 0.053 115.913 115.700 0.266 0.000 2.404 234 S HA -0.044 4.426 4.470 0.000 0.000 0.223 234 S C 0.842 175.684 174.600 0.404 0.000 1.040 234 S CA 0.857 59.233 58.200 0.294 0.000 0.957 234 S CB -0.397 63.008 63.200 0.340 0.000 0.826 234 S HN 0.509 nan 8.310 nan 0.000 0.491 235 H N 0.387 119.644 119.070 0.311 0.000 2.862 235 H HA -0.062 4.494 4.556 0.000 0.000 0.290 235 H C -0.595 174.930 175.328 0.328 0.000 1.211 235 H CA 0.692 56.946 56.048 0.344 0.000 1.140 235 H CB -2.303 27.561 29.762 0.170 0.000 1.341 235 H HN 0.542 nan 8.280 nan 0.000 0.392 236 I N 0.957 121.798 120.570 0.451 0.000 2.519 236 I HA 0.183 4.353 4.170 0.000 0.000 0.287 236 I C -1.596 174.748 176.117 0.378 0.000 1.047 236 I CA -1.776 59.680 61.300 0.260 0.000 1.381 236 I CB 1.013 39.008 38.000 -0.008 0.000 1.417 236 I HN -0.062 nan 8.210 nan 0.000 0.540 237 P HA 0.029 nan 4.420 nan 0.000 0.267 237 P C -1.063 176.406 177.300 0.281 0.000 1.201 237 P CA 0.084 63.324 63.100 0.233 0.000 0.775 237 P CB 0.543 32.279 31.700 0.059 0.000 0.854 238 V N 1.349 121.438 119.914 0.291 0.000 2.760 238 V HA 0.585 4.705 4.120 0.000 0.000 0.309 238 V C -0.119 175.972 176.094 -0.005 0.000 1.077 238 V CA -0.323 62.099 62.300 0.204 0.000 0.910 238 V CB 2.341 34.303 31.823 0.233 0.000 1.008 238 V HN 0.524 nan 8.190 nan 0.000 0.424 239 T N 2.478 116.986 114.554 -0.076 0.000 2.909 239 T HA 0.731 5.081 4.350 0.000 0.000 0.299 239 T C -0.905 173.715 174.700 -0.133 0.000 1.073 239 T CA -0.242 61.719 62.100 -0.232 0.000 0.999 239 T CB 1.723 70.436 68.868 -0.259 0.000 1.098 239 T HN 0.738 nan 8.240 nan 0.000 0.477 240 S N 1.667 117.289 115.700 -0.131 0.000 2.548 240 S HA 0.657 5.127 4.470 0.000 0.000 0.286 240 S C 0.043 174.517 174.600 -0.209 0.000 1.098 240 S CA -0.954 57.190 58.200 -0.094 0.000 0.930 240 S CB 1.791 65.010 63.200 0.031 0.000 1.070 240 S HN 1.006 nan 8.310 nan 0.000 0.480 241 T N -0.333 114.138 114.554 -0.138 0.000 2.754 241 T HA 0.325 4.675 4.350 0.000 0.000 0.286 241 T C 0.572 175.160 174.700 -0.186 0.000 0.997 241 T CA -0.201 61.820 62.100 -0.131 0.000 0.982 241 T CB 0.023 68.952 68.868 0.102 0.000 1.027 241 T HN 0.501 nan 8.240 nan 0.000 0.529 242 Y N 0.083 120.384 120.300 0.001 0.000 2.421 242 Y HA -0.003 4.547 4.550 0.000 0.000 0.292 242 Y C 2.916 178.829 175.900 0.023 0.000 1.136 242 Y CA 0.956 59.068 58.100 0.019 0.000 1.255 242 Y CB -0.389 38.084 38.460 0.023 0.000 0.991 242 Y HN 0.647 nan 8.280 nan 0.000 0.552 243 Q N -0.742 119.136 119.800 0.130 0.000 2.515 243 Q HA 0.061 4.401 4.340 0.000 0.000 0.212 243 Q C 1.103 177.124 176.000 0.034 0.000 0.970 243 Q CA 0.690 56.539 55.803 0.077 0.000 0.941 243 Q CB 0.105 28.883 28.738 0.068 0.000 0.998 243 Q HN 0.441 nan 8.270 nan 0.000 0.518 244 A N -0.873 121.957 122.820 0.017 0.000 2.630 244 A HA 0.499 4.819 4.320 0.000 0.000 0.287 244 A C 1.492 179.059 177.584 -0.028 0.000 1.040 244 A CA 0.347 52.379 52.037 -0.008 0.000 0.971 244 A CB 0.237 19.236 19.000 -0.000 0.000 1.241 244 A HN 0.235 nan 8.150 nan 0.000 0.558 245 A N 0.017 122.821 122.820 -0.028 0.000 1.997 245 A HA 0.013 4.333 4.320 0.000 0.000 0.221 245 A C 2.023 179.584 177.584 -0.038 0.000 1.172 245 A CA 2.174 54.189 52.037 -0.037 0.000 0.645 245 A CB -0.678 18.345 19.000 0.039 0.000 0.813 245 A HN 1.031 nan 8.150 nan 0.000 0.454 246 G N -1.892 106.881 108.800 -0.045 0.000 3.042 246 G HA2 0.310 4.270 3.960 0.000 0.000 0.212 246 G HA3 0.310 4.270 3.960 0.000 0.000 0.212 246 G C 1.384 176.234 174.900 -0.084 0.000 1.166 246 G CA 0.939 46.000 45.100 -0.066 0.000 0.767 246 G HN 0.705 nan 8.290 nan 0.000 0.546 247 A N -0.314 122.458 122.820 -0.079 0.000 1.933 247 A HA 0.394 4.714 4.320 0.000 0.000 0.218 247 A C 0.829 178.336 177.584 -0.129 0.000 1.175 247 A CA 1.147 53.129 52.037 -0.091 0.000 0.628 247 A CB 0.073 19.027 19.000 -0.076 0.000 0.814 247 A HN 0.302 nan 8.150 nan 0.000 0.444 248 V N -0.864 118.947 119.914 -0.171 0.000 3.087 248 V HA 0.499 4.619 4.120 0.000 0.000 0.306 248 V C -1.114 174.626 176.094 -0.590 0.000 1.187 248 V CA -0.907 61.227 62.300 -0.277 0.000 0.999 248 V CB 2.097 33.804 31.823 -0.193 0.000 1.049 248 V HN 0.468 nan 8.190 nan 0.000 0.431 249 N N 0.550 118.871 118.700 -0.632 0.000 2.571 249 N HA 0.360 5.100 4.740 0.000 0.000 0.273 249 N C 0.405 175.546 175.510 -0.615 0.000 1.340 249 N CA -0.591 51.971 53.050 -0.814 0.000 0.789 249 N CB 2.215 40.511 38.487 -0.318 0.000 1.514 249 N HN 0.622 nan 8.380 nan 0.000 0.499 250 Q N 0.198 119.800 119.800 -0.330 0.000 2.152 250 Q HA -0.133 4.207 4.340 0.000 0.000 0.206 250 Q C 0.561 176.598 176.000 0.062 0.000 0.985 250 Q CA 2.251 58.110 55.803 0.094 0.000 0.863 250 Q CB -0.137 28.767 28.738 0.277 0.000 0.904 250 Q HN 0.739 nan 8.270 nan 0.000 0.422 251 D N -1.159 119.253 120.400 0.020 0.000 2.371 251 D HA -0.127 4.513 4.640 0.000 0.000 0.221 251 D C 0.605 176.918 176.300 0.021 0.000 0.986 251 D CA 1.110 55.126 54.000 0.026 0.000 0.899 251 D CB -0.461 40.351 40.800 0.020 0.000 0.902 251 D HN 0.724 nan 8.370 nan 0.000 0.530 252 N N -1.072 117.638 118.700 0.017 0.000 2.171 252 N HA 0.028 4.768 4.740 0.000 0.000 0.212 252 N C -0.694 174.917 175.510 0.168 0.000 1.184 252 N CA -0.510 52.571 53.050 0.051 0.000 0.888 252 N CB 0.472 38.962 38.487 0.005 0.000 1.038 252 N HN -0.043 nan 8.380 nan 0.000 0.517 253 F N 2.361 122.285 119.950 -0.042 0.000 2.787 253 F HA 0.244 4.771 4.527 0.000 0.000 0.340 253 F C 0.873 176.691 175.800 0.030 0.000 1.232 253 F CA -1.262 56.726 58.000 -0.021 0.000 1.051 253 F CB 1.483 40.483 39.000 -0.001 0.000 1.330 253 F HN 0.015 nan 8.300 nan 0.000 0.522 254 S N 3.743 119.192 115.700 -0.419 0.000 2.469 254 S HA -0.076 4.394 4.470 0.000 0.000 0.238 254 S C 1.178 175.573 174.600 -0.341 0.000 0.998 254 S CA 0.798 58.817 58.200 -0.301 0.000 0.957 254 S CB -0.269 62.779 63.200 -0.254 0.000 0.764 254 S HN 0.755 nan 8.310 nan 0.000 0.514 255 R N -0.000 120.079 120.500 -0.701 0.000 2.609 255 R HA 0.350 4.690 4.340 0.000 0.000 0.326 255 R C -0.663 175.694 176.300 0.096 0.000 1.090 255 R CA -0.479 55.417 56.100 -0.339 0.000 1.072 255 R CB -0.036 30.013 30.300 -0.418 0.000 1.330 255 R HN 0.420 nan 8.270 nan 0.000 0.572 256 F N 0.849 120.853 119.950 0.089 0.000 2.443 256 F HA 0.225 4.752 4.527 0.000 0.000 0.353 256 F C 0.833 176.665 175.800 0.054 0.000 1.101 256 F CA -0.653 57.462 58.000 0.191 0.000 1.226 256 F CB 0.975 40.079 39.000 0.174 0.000 1.140 256 F HN -0.009 nan 8.300 nan 0.000 0.557 257 A N 4.452 126.824 122.820 -0.747 0.000 2.503 257 A HA 0.598 4.918 4.320 0.000 0.000 0.263 257 A C 0.770 177.916 177.584 -0.731 0.000 1.258 257 A CA 0.276 51.977 52.037 -0.560 0.000 0.936 257 A CB -1.141 17.671 19.000 -0.312 0.000 1.070 257 A HN 1.779 nan 8.150 nan 0.000 0.522 258 G N -0.453 107.474 108.800 -1.455 0.000 2.712 258 G HA2 -0.084 3.876 3.960 0.000 0.000 0.683 258 G HA3 -0.084 3.876 3.960 0.000 0.000 0.683 258 G C -0.577 174.024 174.900 -0.499 0.000 1.320 258 G CA -0.745 43.938 45.100 -0.696 0.000 0.847 258 G HN 0.586 nan 8.290 nan 0.000 0.553 259 R N -0.891 119.509 120.500 -0.166 0.000 2.404 259 R HA 0.599 4.939 4.340 0.000 0.000 0.291 259 R C 0.653 176.749 176.300 -0.340 0.000 1.025 259 R CA -0.075 55.827 56.100 -0.329 0.000 0.991 259 R CB 1.570 31.497 30.300 -0.623 0.000 1.053 259 R HN 1.126 nan 8.270 nan 0.000 0.479 260 V N -0.106 119.547 119.914 -0.435 0.000 2.581 260 V HA 0.913 5.033 4.120 0.000 0.000 0.303 260 V C 0.750 176.409 176.094 -0.726 0.000 1.041 260 V CA 0.065 62.080 62.300 -0.475 0.000 0.907 260 V CB 1.448 32.992 31.823 -0.465 0.000 0.994 260 V HN 0.917 nan 8.190 nan 0.000 0.442 261 G N 2.138 110.574 108.800 -0.606 0.000 2.425 261 G HA2 -0.128 3.832 3.960 0.000 0.000 0.177 261 G HA3 -0.128 3.832 3.960 0.000 0.000 0.177 261 G C -0.037 174.874 174.900 0.018 0.000 0.999 261 G CA 0.384 45.265 45.100 -0.365 0.000 0.723 261 G HN 1.075 nan 8.290 nan 0.000 0.491 262 L N -0.496 120.648 121.223 -0.131 0.000 2.678 262 L HA 0.699 5.039 4.340 0.000 0.000 0.211 262 L C 0.091 176.488 176.870 -0.789 0.000 1.043 262 L CA 0.331 54.880 54.840 -0.486 0.000 0.881 262 L CB 0.216 41.812 42.059 -0.772 0.000 1.361 262 L HN 0.048 nan 8.230 nan 0.000 0.484 263 F N 0.839 120.614 119.950 -0.292 0.000 2.397 263 F HA 0.275 4.802 4.527 0.000 0.000 0.331 263 F C 1.069 176.517 175.800 -0.587 0.000 1.090 263 F CA -0.589 57.208 58.000 -0.339 0.000 1.065 263 F CB 0.623 39.514 39.000 -0.183 0.000 1.184 263 F HN 0.139 nan 8.300 nan 0.000 0.499 264 N N 0.240 118.823 118.700 -0.196 0.000 2.370 264 N HA -0.030 4.710 4.740 0.000 0.000 0.198 264 N C -0.481 175.066 175.510 0.060 0.000 1.156 264 N CA -0.081 52.938 53.050 -0.050 0.000 0.839 264 N CB -0.670 37.910 38.487 0.155 0.000 0.989 264 N HN 0.740 nan 8.380 nan 0.000 0.468 265 N N -1.181 117.535 118.700 0.027 0.000 2.466 265 N HA 0.044 4.784 4.740 0.000 0.000 0.272 265 N C -0.903 174.598 175.510 -0.016 0.000 1.455 265 N CA -0.580 52.479 53.050 0.015 0.000 0.875 265 N CB 0.302 38.783 38.487 -0.010 0.000 1.372 265 N HN -0.052 nan 8.380 nan 0.000 0.492 266 Q N 0.900 120.697 119.800 -0.004 0.000 2.286 266 Q HA 0.245 4.585 4.340 0.000 0.000 0.257 266 Q C 1.041 177.010 176.000 -0.052 0.000 0.941 266 Q CA -0.042 55.733 55.803 -0.046 0.000 0.912 266 Q CB 1.815 30.527 28.738 -0.044 0.000 1.192 266 Q HN 0.439 nan 8.270 nan 0.000 0.410 267 A N 3.468 126.229 122.820 -0.099 0.000 1.948 267 A HA -0.179 4.141 4.320 0.000 0.000 0.220 267 A C 1.916 179.446 177.584 -0.090 0.000 1.177 267 A CA 2.042 54.024 52.037 -0.092 0.000 0.636 267 A CB -0.837 18.088 19.000 -0.124 0.000 0.815 267 A HN 0.869 nan 8.150 nan 0.000 0.449 268 G N -0.324 108.392 108.800 -0.139 0.000 2.469 268 G HA2 -0.294 3.666 3.960 0.000 0.000 0.219 268 G HA3 -0.294 3.666 3.960 0.000 0.000 0.219 268 G C 1.242 176.116 174.900 -0.044 0.000 1.150 268 G CA 1.207 46.224 45.100 -0.139 0.000 0.763 268 G HN 0.519 nan 8.290 nan 0.000 0.561 269 D N 0.284 120.698 120.400 0.022 0.000 2.117 269 D HA -0.045 4.595 4.640 0.000 0.000 0.198 269 D C 2.715 179.078 176.300 0.104 0.000 0.982 269 D CA 0.545 54.623 54.000 0.130 0.000 0.828 269 D CB -0.106 40.819 40.800 0.209 0.000 0.967 269 D HN 0.280 nan 8.370 nan 0.000 0.464 270 R N 0.289 120.822 120.500 0.056 0.000 2.092 270 R HA 0.016 4.356 4.340 0.000 0.000 0.231 270 R C 2.562 178.881 176.300 0.032 0.000 1.119 270 R CA 0.395 56.521 56.100 0.043 0.000 0.970 270 R CB -0.253 30.059 30.300 0.020 0.000 0.864 270 R HN 0.232 nan 8.270 nan 0.000 0.440 271 L N 0.562 121.790 121.223 0.009 0.000 2.109 271 L HA -0.122 4.218 4.340 0.000 0.000 0.207 271 L C 2.376 179.258 176.870 0.020 0.000 1.086 271 L CA 0.894 55.733 54.840 -0.001 0.000 0.760 271 L CB -0.314 41.726 42.059 -0.032 0.000 0.910 271 L HN 0.163 nan 8.230 nan 0.000 0.437 272 L N -0.714 120.535 121.223 0.042 0.000 2.056 272 L HA -0.237 4.103 4.340 0.000 0.000 0.207 272 L C 2.634 179.597 176.870 0.155 0.000 1.078 272 L CA 1.335 56.237 54.840 0.104 0.000 0.749 272 L CB -0.356 41.792 42.059 0.148 0.000 0.901 272 L HN 0.308 nan 8.230 nan 0.000 0.433 273 Q N -0.639 119.242 119.800 0.134 0.000 2.170 273 Q HA -0.225 4.115 4.340 0.000 0.000 0.203 273 Q C 2.108 178.149 176.000 0.068 0.000 0.976 273 Q CA 1.283 57.150 55.803 0.106 0.000 0.858 273 Q CB -0.078 28.713 28.738 0.089 0.000 0.907 273 Q HN 0.350 nan 8.270 nan 0.000 0.433 274 L N 0.095 121.349 121.223 0.051 0.000 2.209 274 L HA 0.217 4.557 4.340 0.000 0.000 0.207 274 L C 0.534 177.420 176.870 0.028 0.000 1.094 274 L CA 0.470 55.328 54.840 0.031 0.000 0.790 274 L CB -0.509 41.560 42.059 0.017 0.000 0.932 274 L HN -0.015 nan 8.230 nan 0.000 0.447 275 A N 0.569 123.410 122.820 0.035 0.000 2.587 275 A HA 0.017 4.337 4.320 0.000 0.000 0.233 275 A C 0.821 178.421 177.584 0.028 0.000 1.049 275 A CA 0.693 52.745 52.037 0.025 0.000 0.754 275 A CB -0.187 18.833 19.000 0.033 0.000 0.977 275 A HN 0.628 nan 8.150 nan 0.000 0.509 276 D N 0.162 120.570 120.400 0.012 0.000 2.441 276 D HA 0.238 4.878 4.640 0.000 0.000 0.210 276 D C -0.186 176.120 176.300 0.011 0.000 1.102 276 D CA 0.053 54.060 54.000 0.012 0.000 0.840 276 D CB 0.239 41.042 40.800 0.005 0.000 0.990 276 D HN 0.326 nan 8.370 nan 0.000 0.505 277 L N 0.918 122.143 121.223 0.003 0.000 2.639 277 L HA 0.400 4.740 4.340 0.000 0.000 0.264 277 L C -2.003 174.856 176.870 -0.018 0.000 0.948 277 L CA -0.725 54.112 54.840 -0.005 0.000 0.912 277 L CB 2.116 44.157 42.059 -0.030 0.000 1.294 277 L HN -0.202 nan 8.230 nan 0.000 0.412 278 V N 6.397 126.331 119.914 0.033 0.000 2.448 278 V HA 0.548 4.668 4.120 0.000 0.000 0.295 278 V C -0.038 176.091 176.094 0.059 0.000 1.025 278 V CA -0.345 61.977 62.300 0.037 0.000 0.859 278 V CB 1.747 33.663 31.823 0.154 0.000 0.988 278 V HN 0.608 nan 8.190 nan 0.000 0.431 279 I N 4.196 124.780 120.570 0.024 0.000 2.354 279 I HA 0.373 4.543 4.170 0.000 0.000 0.286 279 I C -0.313 175.919 176.117 0.192 0.000 1.007 279 I CA -0.179 61.204 61.300 0.137 0.000 1.167 279 I CB 1.356 39.472 38.000 0.194 0.000 1.320 279 I HN 0.523 nan 8.210 nan 0.000 0.458 280 C N 7.212 126.625 119.300 0.189 0.000 2.388 280 C HA 0.558 5.018 4.460 0.000 0.000 0.362 280 C C 0.354 175.432 174.990 0.146 0.000 1.266 280 C CA -0.523 58.592 59.018 0.163 0.000 2.028 280 C CB -0.067 27.879 27.740 0.343 0.000 2.440 280 C HN 0.537 nan 8.230 nan 0.000 0.547 281 I N 2.730 123.360 120.570 0.100 0.000 2.410 281 I HA 0.445 4.615 4.170 0.000 0.000 0.286 281 I C 0.987 177.140 176.117 0.060 0.000 1.009 281 I CA 0.072 61.391 61.300 0.032 0.000 1.111 281 I CB 1.199 39.174 38.000 -0.042 0.000 1.262 281 I HN 0.961 nan 8.210 nan 0.000 0.443 282 G N 4.379 113.202 108.800 0.038 0.000 2.225 282 G HA2 -0.333 3.627 3.960 0.000 0.000 0.267 282 G HA3 -0.333 3.627 3.960 0.000 0.000 0.267 282 G C -0.309 174.684 174.900 0.156 0.000 1.024 282 G CA 0.173 45.313 45.100 0.068 0.000 0.784 282 G HN 0.649 nan 8.290 nan 0.000 0.507 283 Y N 0.822 121.173 120.300 0.086 0.000 2.352 283 Y HA 0.661 5.211 4.550 0.000 0.000 0.326 283 Y C 0.171 176.174 175.900 0.170 0.000 1.166 283 Y CA -0.791 57.377 58.100 0.115 0.000 1.182 283 Y CB 1.954 40.488 38.460 0.124 0.000 1.216 283 Y HN 0.350 nan 8.280 nan 0.000 0.474 284 S N 6.298 121.518 115.700 -0.799 0.000 2.557 284 S HA 0.413 4.883 4.470 0.000 0.000 0.291 284 S C -2.268 171.638 174.600 -1.157 0.000 1.116 284 S CA -1.763 56.001 58.200 -0.727 0.000 0.992 284 S CB 1.691 64.662 63.200 -0.381 0.000 1.028 284 S HN 0.570 nan 8.310 nan 0.000 0.484 285 P HA -0.144 nan 4.420 nan 0.000 0.219 285 P C 1.516 178.663 177.300 -0.255 0.000 1.144 285 P CA 1.314 64.099 63.100 -0.525 0.000 0.806 285 P CB -0.141 31.374 31.700 -0.309 0.000 0.771 286 V N -2.635 117.117 119.914 -0.270 0.000 2.759 286 V HA -0.161 3.959 4.120 0.000 0.000 0.256 286 V C 1.760 177.828 176.094 -0.043 0.000 1.080 286 V CA 1.527 63.745 62.300 -0.137 0.000 1.101 286 V CB -1.361 30.364 31.823 -0.163 0.000 0.698 286 V HN 0.119 nan 8.190 nan 0.000 0.477 287 E N -0.736 119.426 120.200 -0.063 0.000 2.274 287 E HA 0.011 4.361 4.350 0.000 0.000 0.194 287 E C -0.107 176.688 176.600 0.326 0.000 0.996 287 E CA 0.887 57.349 56.400 0.104 0.000 0.840 287 E CB 0.140 29.901 29.700 0.101 0.000 0.772 287 E HN 0.712 nan 8.360 nan 0.000 0.491 288 Y N 0.660 121.075 120.300 0.191 0.000 2.246 288 Y HA 0.109 4.659 4.550 0.000 0.000 0.315 288 Y C -1.437 174.663 175.900 0.334 0.000 1.251 288 Y CA -1.770 56.495 58.100 0.274 0.000 1.212 288 Y CB 0.439 39.087 38.460 0.313 0.000 1.277 288 Y HN -0.216 nan 8.280 nan 0.000 0.398 289 E N 8.209 128.435 120.200 0.043 0.000 3.072 289 E HA 0.014 4.364 4.350 0.000 0.000 0.241 289 E C -2.068 174.381 176.600 -0.251 0.000 0.962 289 E CA -0.462 55.874 56.400 -0.106 0.000 0.955 289 E CB 0.869 30.502 29.700 -0.111 0.000 0.899 289 E HN 0.451 nan 8.360 nan 0.000 0.547 290 P HA -0.190 nan 4.420 nan 0.000 0.219 290 P C 0.694 177.578 177.300 -0.694 0.000 1.146 290 P CA 1.814 64.591 63.100 -0.539 0.000 0.808 290 P CB 0.135 31.674 31.700 -0.268 0.000 0.779 291 A N -1.000 121.592 122.820 -0.381 0.000 1.972 291 A HA -0.185 4.135 4.320 0.000 0.000 0.219 291 A C 2.008 179.416 177.584 -0.293 0.000 1.169 291 A CA 1.525 53.385 52.037 -0.295 0.000 0.635 291 A CB -1.219 17.669 19.000 -0.187 0.000 0.810 291 A HN 0.057 nan 8.150 nan 0.000 0.446 292 M N -1.013 118.390 119.600 -0.328 0.000 2.296 292 M HA -0.076 4.404 4.480 0.000 0.000 0.265 292 M C 1.947 178.215 176.300 -0.052 0.000 1.064 292 M CA 1.039 56.199 55.300 -0.233 0.000 1.109 292 M CB -1.011 31.376 32.600 -0.355 0.000 1.396 292 M HN 0.992 nan 8.290 nan 0.000 0.430 293 W N -1.701 119.490 121.300 -0.182 0.000 3.231 293 W HA 0.276 4.936 4.660 0.000 0.000 0.234 293 W C 0.271 176.776 176.519 -0.024 0.000 1.099 293 W CA -0.454 56.859 57.345 -0.054 0.000 1.467 293 W CB -0.650 28.811 29.460 0.003 0.000 0.800 293 W HN 0.015 nan 8.180 nan 0.000 0.739 294 N N 3.165 121.334 118.700 -0.885 0.000 2.406 294 N HA 0.014 4.754 4.740 0.000 0.000 0.265 294 N C 0.832 176.169 175.510 -0.288 0.000 1.203 294 N CA 0.861 53.493 53.050 -0.697 0.000 0.945 294 N CB 1.149 39.011 38.487 -1.042 0.000 1.165 294 N HN 0.148 nan 8.380 nan 0.000 0.485 295 S N 1.569 117.203 115.700 -0.109 0.000 2.556 295 S HA 0.173 4.643 4.470 0.000 0.000 0.216 295 S C 1.368 175.934 174.600 -0.057 0.000 0.970 295 S CA 0.151 58.312 58.200 -0.065 0.000 0.912 295 S CB -0.134 63.060 63.200 -0.010 0.000 0.790 295 S HN 0.696 nan 8.310 nan 0.000 0.504 296 G N 2.444 111.203 108.800 -0.069 0.000 2.186 296 G HA2 -0.334 3.626 3.960 0.000 0.000 0.266 296 G HA3 -0.334 3.626 3.960 0.000 0.000 0.266 296 G C 0.778 175.666 174.900 -0.021 0.000 0.982 296 G CA 0.603 45.673 45.100 -0.050 0.000 0.670 296 G HN 0.575 nan 8.290 nan 0.000 0.533 297 N N 0.364 119.060 118.700 -0.005 0.000 2.422 297 N HA 0.320 5.060 4.740 0.000 0.000 0.181 297 N C 1.088 176.606 175.510 0.014 0.000 1.080 297 N CA 0.980 54.032 53.050 0.004 0.000 0.893 297 N CB 0.340 38.831 38.487 0.008 0.000 0.973 297 N HN 0.805 nan 8.380 nan 0.000 0.456 298 A N 0.192 123.029 122.820 0.028 0.000 2.330 298 A HA 0.575 4.895 4.320 0.000 0.000 0.329 298 A C -0.014 177.590 177.584 0.034 0.000 1.135 298 A CA -0.420 51.639 52.037 0.037 0.000 0.817 298 A CB 0.763 19.800 19.000 0.062 0.000 1.269 298 A HN -0.002 nan 8.150 nan 0.000 0.469 299 T N 1.489 116.060 114.554 0.028 0.000 2.870 299 T HA 0.374 4.724 4.350 0.000 0.000 0.300 299 T C -0.343 174.384 174.700 0.046 0.000 0.989 299 T CA 0.384 62.499 62.100 0.025 0.000 1.139 299 T CB 0.164 69.042 68.868 0.018 0.000 0.920 299 T HN 0.499 nan 8.240 nan 0.000 0.537 300 L N 5.772 127.020 121.223 0.043 0.000 2.287 300 L HA 0.594 4.934 4.340 0.000 0.000 0.287 300 L C -0.874 176.038 176.870 0.071 0.000 1.022 300 L CA -0.415 54.469 54.840 0.074 0.000 0.814 300 L CB 1.090 43.176 42.059 0.044 0.000 1.217 300 L HN 0.410 nan 8.230 nan 0.000 0.420 301 V N 4.520 124.503 119.914 0.114 0.000 2.435 301 V HA 0.378 4.498 4.120 0.000 0.000 0.290 301 V C -0.881 175.341 176.094 0.214 0.000 1.030 301 V CA -0.668 61.710 62.300 0.129 0.000 0.881 301 V CB 1.388 33.275 31.823 0.107 0.000 0.983 301 V HN 0.821 nan 8.190 nan 0.000 0.445 302 H N 4.744 123.882 119.070 0.113 0.000 2.539 302 H HA 0.678 5.234 4.556 0.000 0.000 0.332 302 H C -1.018 174.404 175.328 0.156 0.000 1.031 302 H CA -0.510 55.648 56.048 0.183 0.000 1.206 302 H CB 1.074 30.936 29.762 0.166 0.000 1.446 302 H HN 0.587 nan 8.280 nan 0.000 0.496 303 I N 5.166 125.573 120.570 -0.272 0.000 2.418 303 I HA 0.318 4.488 4.170 0.000 0.000 0.287 303 I C -0.837 175.105 176.117 -0.292 0.000 1.008 303 I CA -0.427 60.754 61.300 -0.199 0.000 1.104 303 I CB 1.538 39.508 38.000 -0.049 0.000 1.264 303 I HN 0.664 nan 8.210 nan 0.000 0.438 304 D N 3.085 123.359 120.400 -0.210 0.000 2.725 304 D HA 0.152 4.792 4.640 0.000 0.000 0.292 304 D C 0.172 176.478 176.300 0.011 0.000 1.288 304 D CA -0.496 53.452 54.000 -0.087 0.000 0.784 304 D CB 1.927 42.688 40.800 -0.066 0.000 1.308 304 D HN 0.196 nan 8.370 nan 0.000 0.429 305 V N -0.576 119.365 119.914 0.044 0.000 3.592 305 V HA 0.397 4.517 4.120 0.000 0.000 0.272 305 V C 0.288 176.431 176.094 0.082 0.000 1.228 305 V CA 0.650 62.981 62.300 0.052 0.000 1.173 305 V CB -1.237 30.613 31.823 0.045 0.000 0.873 305 V HN 0.303 nan 8.190 nan 0.000 0.476 306 L N 0.486 121.787 121.223 0.129 0.000 2.506 306 L HA 0.553 4.893 4.340 0.000 0.000 0.257 306 L C -2.655 174.350 176.870 0.224 0.000 0.964 306 L CA -1.967 52.964 54.840 0.152 0.000 0.836 306 L CB 2.823 44.990 42.059 0.180 0.000 1.384 306 L HN -0.147 nan 8.230 nan 0.000 0.410 307 P HA 0.087 nan 4.420 nan 0.000 0.271 307 P C -0.767 176.588 177.300 0.093 0.000 1.233 307 P CA -0.299 62.873 63.100 0.121 0.000 0.789 307 P CB 0.712 32.413 31.700 0.002 0.000 0.951 308 A N 1.250 124.027 122.820 -0.072 0.000 2.351 308 A HA 0.244 4.564 4.320 0.000 0.000 0.257 308 A C -0.514 177.047 177.584 -0.038 0.000 1.087 308 A CA -0.281 51.642 52.037 -0.190 0.000 0.798 308 A CB -0.439 18.225 19.000 -0.560 0.000 1.033 308 A HN 0.476 nan 8.150 nan 0.000 0.488 309 Y N 1.876 122.189 120.300 0.023 0.000 2.767 309 Y HA 0.164 4.714 4.550 0.000 0.000 0.354 309 Y C 0.816 176.766 175.900 0.084 0.000 1.292 309 Y CA -0.267 57.853 58.100 0.034 0.000 1.749 309 Y CB -0.682 37.784 38.460 0.009 0.000 1.841 309 Y HN 0.725 nan 8.280 nan 0.000 0.454 310 E N 2.124 122.412 120.200 0.146 0.000 2.556 310 E HA -0.007 4.343 4.350 0.000 0.000 0.273 310 E C 0.042 176.720 176.600 0.129 0.000 1.123 310 E CA 0.707 57.180 56.400 0.122 0.000 1.033 310 E CB 0.457 30.163 29.700 0.009 0.000 1.025 310 E HN 0.717 nan 8.360 nan 0.000 0.465 311 E N -0.784 119.478 120.200 0.103 0.000 2.421 311 E HA 0.111 4.461 4.350 0.000 0.000 0.278 311 E C 0.299 176.918 176.600 0.031 0.000 1.141 311 E CA -0.895 55.544 56.400 0.065 0.000 0.880 311 E CB 0.430 30.175 29.700 0.075 0.000 1.381 311 E HN 0.367 nan 8.360 nan 0.000 0.436 312 R N 0.394 120.894 120.500 0.001 0.000 2.159 312 R HA -0.190 4.150 4.340 0.000 0.000 0.249 312 R C 0.506 176.779 176.300 -0.045 0.000 1.136 312 R CA 2.628 58.712 56.100 -0.027 0.000 0.951 312 R CB -0.404 29.873 30.300 -0.039 0.000 0.876 312 R HN 0.544 nan 8.270 nan 0.000 0.440 313 N N -1.024 117.645 118.700 -0.052 0.000 2.279 313 N HA -0.016 4.724 4.740 0.000 0.000 0.226 313 N C -1.138 174.356 175.510 -0.027 0.000 1.126 313 N CA 0.198 53.181 53.050 -0.112 0.000 0.846 313 N CB 0.867 39.225 38.487 -0.214 0.000 1.050 313 N HN 0.240 nan 8.380 nan 0.000 0.502 314 Y N 0.998 121.235 120.300 -0.104 0.000 2.517 314 Y HA 0.099 4.649 4.550 0.000 0.000 0.328 314 Y C -0.801 175.094 175.900 -0.008 0.000 1.130 314 Y CA -0.987 57.095 58.100 -0.029 0.000 1.280 314 Y CB 0.270 38.762 38.460 0.054 0.000 1.101 314 Y HN -0.078 nan 8.280 nan 0.000 0.610 315 T N 2.337 116.746 114.554 -0.241 0.000 3.150 315 T HA 0.510 4.860 4.350 0.000 0.000 0.383 315 T C -2.855 171.697 174.700 -0.247 0.000 1.313 315 T CA -2.182 59.792 62.100 -0.210 0.000 1.235 315 T CB 1.006 69.811 68.868 -0.104 0.000 1.088 315 T HN 0.184 nan 8.240 nan 0.000 0.556 316 P HA 0.140 nan 4.420 nan 0.000 0.266 316 P C 0.365 177.610 177.300 -0.091 0.000 1.193 316 P CA -0.097 62.877 63.100 -0.210 0.000 0.770 316 P CB 0.646 32.240 31.700 -0.176 0.000 0.836 317 D N 0.388 120.764 120.400 -0.041 0.000 2.301 317 D HA 0.041 4.681 4.640 0.000 0.000 0.206 317 D C 0.170 176.472 176.300 0.003 0.000 0.979 317 D CA 1.069 55.058 54.000 -0.018 0.000 0.874 317 D CB 0.445 41.240 40.800 -0.007 0.000 0.968 317 D HN 0.086 nan 8.370 nan 0.000 0.510 318 V N 1.156 121.084 119.914 0.023 0.000 2.686 318 V HA 0.271 4.391 4.120 0.000 0.000 0.306 318 V C -0.642 175.500 176.094 0.080 0.000 1.065 318 V CA -0.748 61.577 62.300 0.043 0.000 0.894 318 V CB 2.811 34.661 31.823 0.045 0.000 1.004 318 V HN -0.148 nan 8.190 nan 0.000 0.424 319 E N 4.531 124.782 120.200 0.085 0.000 2.185 319 E HA 0.534 4.884 4.350 0.000 0.000 0.261 319 E C -1.291 175.373 176.600 0.108 0.000 0.879 319 E CA -0.542 55.944 56.400 0.144 0.000 0.756 319 E CB 2.124 31.912 29.700 0.146 0.000 1.152 319 E HN 0.538 nan 8.360 nan 0.000 0.416 320 L N 3.992 125.272 121.223 0.095 0.000 2.321 320 L HA 0.370 4.710 4.340 0.000 0.000 0.272 320 L C -0.560 176.337 176.870 0.045 0.000 1.050 320 L CA -0.759 54.114 54.840 0.055 0.000 0.893 320 L CB 0.666 42.747 42.059 0.037 0.000 1.272 320 L HN 0.205 nan 8.230 nan 0.000 0.435 321 V N 2.372 122.323 119.914 0.061 0.000 2.439 321 V HA 0.916 5.036 4.120 0.000 0.000 0.282 321 V C 0.706 176.822 176.094 0.037 0.000 1.039 321 V CA -0.037 62.299 62.300 0.059 0.000 0.913 321 V CB 1.123 32.993 31.823 0.077 0.000 0.983 321 V HN 0.951 nan 8.190 nan 0.000 0.460 322 G N 3.435 112.252 108.800 0.029 0.000 2.350 322 G HA2 0.036 3.996 3.960 0.000 0.000 0.276 322 G HA3 0.036 3.996 3.960 0.000 0.000 0.276 322 G C -1.180 173.728 174.900 0.013 0.000 1.313 322 G CA -0.629 44.483 45.100 0.021 0.000 0.903 322 G HN 0.613 nan 8.290 nan 0.000 0.490 323 D N 0.649 121.054 120.400 0.008 0.000 2.389 323 D HA 0.137 4.777 4.640 0.000 0.000 0.263 323 D C 1.805 178.101 176.300 -0.006 0.000 1.255 323 D CA -0.099 53.903 54.000 0.002 0.000 0.914 323 D CB 0.476 41.276 40.800 0.000 0.000 1.116 323 D HN 0.352 nan 8.370 nan 0.000 0.502 324 I N 3.657 124.220 120.570 -0.011 0.000 2.151 324 I HA -0.341 3.829 4.170 0.000 0.000 0.243 324 I C 2.469 178.566 176.117 -0.033 0.000 1.080 324 I CA 1.308 62.593 61.300 -0.024 0.000 1.339 324 I CB -0.229 37.754 38.000 -0.029 0.000 1.039 324 I HN 0.469 nan 8.210 nan 0.000 0.409 325 A N 0.967 123.770 122.820 -0.030 0.000 1.883 325 A HA -0.150 4.170 4.320 0.000 0.000 0.217 325 A C 2.449 180.017 177.584 -0.027 0.000 1.186 325 A CA 2.040 54.057 52.037 -0.034 0.000 0.624 325 A CB -1.476 17.507 19.000 -0.028 0.000 0.822 325 A HN 0.477 nan 8.150 nan 0.000 0.444 326 G N -1.246 107.543 108.800 -0.017 0.000 2.421 326 G HA2 -0.157 3.803 3.960 0.000 0.000 0.216 326 G HA3 -0.157 3.803 3.960 0.000 0.000 0.216 326 G C 1.589 176.483 174.900 -0.011 0.000 1.171 326 G CA 1.663 46.756 45.100 -0.012 0.000 0.775 326 G HN 0.429 nan 8.290 nan 0.000 0.543 327 T N 1.461 116.008 114.554 -0.011 0.000 2.746 327 T HA -0.027 4.323 4.350 0.000 0.000 0.267 327 T C 2.407 177.100 174.700 -0.012 0.000 1.039 327 T CA 0.877 62.974 62.100 -0.006 0.000 1.142 327 T CB -0.203 68.662 68.868 -0.004 0.000 0.866 327 T HN 0.127 nan 8.240 nan 0.000 0.444 328 L N 1.070 122.275 121.223 -0.030 0.000 2.093 328 L HA -0.092 4.248 4.340 0.000 0.000 0.208 328 L C 2.580 179.429 176.870 -0.035 0.000 1.085 328 L CA 0.971 55.782 54.840 -0.049 0.000 0.755 328 L CB -0.652 41.352 42.059 -0.092 0.000 0.904 328 L HN 0.259 nan 8.230 nan 0.000 0.435 329 N N 0.558 119.242 118.700 -0.027 0.000 2.142 329 N HA -0.152 4.588 4.740 0.000 0.000 0.186 329 N C 1.789 177.295 175.510 -0.006 0.000 1.023 329 N CA 1.203 54.242 53.050 -0.018 0.000 0.852 329 N CB -0.063 38.414 38.487 -0.016 0.000 0.998 329 N HN 0.365 nan 8.380 nan 0.000 0.424 330 K N 0.578 120.976 120.400 -0.003 0.000 2.057 330 K HA -0.098 4.222 4.320 0.000 0.000 0.207 330 K C 1.971 178.577 176.600 0.010 0.000 1.049 330 K CA 0.625 56.914 56.287 0.004 0.000 0.931 330 K CB -0.246 32.258 32.500 0.005 0.000 0.714 330 K HN 0.012 nan 8.250 nan 0.000 0.440 331 L N 1.330 122.561 121.223 0.014 0.000 2.017 331 L HA -0.145 4.195 4.340 0.000 0.000 0.208 331 L C 2.232 179.122 176.870 0.033 0.000 1.073 331 L CA 1.825 56.683 54.840 0.030 0.000 0.745 331 L CB -0.766 41.321 42.059 0.046 0.000 0.894 331 L HN 0.140 nan 8.230 nan 0.000 0.432 332 A N -1.252 121.582 122.820 0.024 0.000 1.978 332 A HA -0.265 4.055 4.320 0.000 0.000 0.220 332 A C 2.110 179.707 177.584 0.022 0.000 1.170 332 A CA 1.824 53.878 52.037 0.028 0.000 0.636 332 A CB -0.583 18.424 19.000 0.012 0.000 0.810 332 A HN 0.700 nan 8.150 nan 0.000 0.448 333 Q N -0.576 119.232 119.800 0.013 0.000 2.472 333 Q HA 0.033 4.373 4.340 0.000 0.000 0.208 333 Q C 0.289 176.292 176.000 0.004 0.000 0.958 333 Q CA 0.411 56.219 55.803 0.008 0.000 0.932 333 Q CB 0.037 28.779 28.738 0.006 0.000 1.007 333 Q HN 0.578 nan 8.270 nan 0.000 0.508 334 N N 0.240 118.944 118.700 0.006 0.000 2.282 334 N HA 0.224 4.964 4.740 0.000 0.000 0.240 334 N C -0.753 174.747 175.510 -0.015 0.000 1.182 334 N CA 0.132 53.180 53.050 -0.003 0.000 0.874 334 N CB 1.032 39.521 38.487 0.003 0.000 1.126 334 N HN 0.147 nan 8.380 nan 0.000 0.516 335 I N 0.845 121.407 120.570 -0.014 0.000 2.359 335 I HA 0.141 4.311 4.170 0.000 0.000 0.284 335 I C 0.701 176.776 176.117 -0.070 0.000 1.018 335 I CA -0.469 60.810 61.300 -0.036 0.000 1.173 335 I CB 1.563 39.575 38.000 0.020 0.000 1.326 335 I HN -0.180 nan 8.210 nan 0.000 0.462 336 D N 4.183 124.483 120.400 -0.167 0.000 2.117 336 D HA -0.100 4.540 4.640 0.000 0.000 0.198 336 D C 0.296 176.534 176.300 -0.103 0.000 0.982 336 D CA 1.823 55.722 54.000 -0.169 0.000 0.828 336 D CB 0.192 40.847 40.800 -0.243 0.000 0.967 336 D HN 0.665 nan 8.370 nan 0.000 0.464 337 H N -2.356 116.725 119.070 0.018 0.000 2.966 337 H HA 0.542 5.098 4.556 0.000 0.000 0.330 337 H C -0.588 174.750 175.328 0.017 0.000 1.292 337 H CA -1.035 55.017 56.048 0.007 0.000 1.127 337 H CB 0.595 30.356 29.762 -0.002 0.000 1.863 337 H HN -0.331 nan 8.280 nan 0.000 0.543 338 R N 0.203 120.841 120.500 0.230 0.000 2.539 338 R HA 0.301 4.641 4.340 0.000 0.000 0.275 338 R C -0.345 176.067 176.300 0.188 0.000 1.077 338 R CA -1.031 55.156 56.100 0.146 0.000 1.097 338 R CB 0.813 31.061 30.300 -0.087 0.000 1.018 338 R HN 0.545 nan 8.270 nan 0.000 0.483 339 L N 2.400 123.736 121.223 0.190 0.000 2.453 339 L HA 0.078 4.418 4.340 0.000 0.000 0.272 339 L C -0.704 176.208 176.870 0.070 0.000 1.182 339 L CA 0.344 55.266 54.840 0.137 0.000 0.858 339 L CB 0.998 43.133 42.059 0.126 0.000 1.120 339 L HN 0.270 nan 8.230 nan 0.000 0.474 340 V N 7.129 127.056 119.914 0.021 0.000 2.318 340 V HA 0.233 4.353 4.120 0.000 0.000 0.271 340 V C 0.471 176.568 176.094 0.004 0.000 1.030 340 V CA -0.687 61.608 62.300 -0.008 0.000 0.844 340 V CB 0.764 32.558 31.823 -0.049 0.000 1.015 340 V HN 0.647 nan 8.190 nan 0.000 0.460 341 L N 4.560 125.789 121.223 0.010 0.000 2.593 341 L HA 0.046 4.386 4.340 0.000 0.000 0.287 341 L C 1.197 178.065 176.870 -0.004 0.000 1.243 341 L CA 0.426 55.269 54.840 0.004 0.000 0.890 341 L CB 0.508 42.566 42.059 -0.002 0.000 1.134 341 L HN 0.852 nan 8.230 nan 0.000 0.502 342 S N 3.850 119.547 115.700 -0.004 0.000 2.600 342 S HA 0.219 4.689 4.470 0.000 0.000 0.265 342 S C -1.390 173.205 174.600 -0.009 0.000 1.325 342 S CA -1.112 57.084 58.200 -0.006 0.000 1.002 342 S CB 0.955 64.152 63.200 -0.005 0.000 0.921 342 S HN 0.555 nan 8.310 nan 0.000 0.554 343 P HA -0.115 nan 4.420 nan 0.000 0.220 343 P C 0.914 178.207 177.300 -0.013 0.000 1.148 343 P CA 1.149 64.242 63.100 -0.012 0.000 0.803 343 P CB 0.070 31.763 31.700 -0.012 0.000 0.782 344 Q N 0.623 120.417 119.800 -0.010 0.000 2.016 344 Q HA -0.023 4.317 4.340 0.000 0.000 0.200 344 Q C 2.565 178.558 176.000 -0.012 0.000 0.978 344 Q CA 2.083 57.880 55.803 -0.010 0.000 0.833 344 Q CB -1.651 27.084 28.738 -0.006 0.000 0.895 344 Q HN 0.210 nan 8.270 nan 0.000 0.427 345 A N 0.737 123.550 122.820 -0.012 0.000 1.902 345 A HA -0.107 4.213 4.320 0.000 0.000 0.217 345 A C 2.274 179.845 177.584 -0.021 0.000 1.181 345 A CA 1.864 53.892 52.037 -0.016 0.000 0.623 345 A CB -1.055 17.937 19.000 -0.013 0.000 0.818 345 A HN 0.369 nan 8.150 nan 0.000 0.443 346 A N -0.404 122.405 122.820 -0.019 0.000 1.933 346 A HA -0.162 4.158 4.320 0.000 0.000 0.218 346 A C 1.969 179.539 177.584 -0.024 0.000 1.175 346 A CA 2.172 54.196 52.037 -0.022 0.000 0.628 346 A CB -0.442 18.546 19.000 -0.019 0.000 0.814 346 A HN 0.557 nan 8.150 nan 0.000 0.444 347 E N 0.236 120.423 120.200 -0.022 0.000 2.072 347 E HA -0.103 4.247 4.350 0.000 0.000 0.191 347 E C 1.703 178.288 176.600 -0.024 0.000 0.985 347 E CA 1.248 57.634 56.400 -0.023 0.000 0.801 347 E CB -0.375 29.312 29.700 -0.021 0.000 0.750 347 E HN 0.632 nan 8.360 nan 0.000 0.452 348 I N 0.244 120.800 120.570 -0.024 0.000 2.208 348 I HA -0.281 3.889 4.170 0.000 0.000 0.245 348 I C 2.203 178.296 176.117 -0.039 0.000 1.097 348 I CA 0.956 62.239 61.300 -0.028 0.000 1.363 348 I CB -0.234 37.750 38.000 -0.027 0.000 1.051 348 I HN 0.184 nan 8.210 nan 0.000 0.413 349 L N -0.090 121.108 121.223 -0.042 0.000 2.141 349 L HA -0.186 4.154 4.340 0.000 0.000 0.209 349 L C 2.694 179.539 176.870 -0.042 0.000 1.094 349 L CA 1.119 55.928 54.840 -0.051 0.000 0.763 349 L CB -0.514 41.514 42.059 -0.052 0.000 0.908 349 L HN 0.177 nan 8.230 nan 0.000 0.437 350 R N 0.148 120.629 120.500 -0.031 0.000 2.092 350 R HA -0.150 4.190 4.340 0.000 0.000 0.231 350 R C 1.930 178.228 176.300 -0.004 0.000 1.119 350 R CA 1.451 57.539 56.100 -0.020 0.000 0.970 350 R CB -0.053 30.233 30.300 -0.024 0.000 0.864 350 R HN 0.350 nan 8.270 nan 0.000 0.440 351 D N -0.470 119.924 120.400 -0.009 0.000 2.144 351 D HA -0.179 4.461 4.640 0.000 0.000 0.200 351 D C 1.789 178.089 176.300 -0.001 0.000 0.978 351 D CA 0.937 54.946 54.000 0.015 0.000 0.833 351 D CB -0.139 40.660 40.800 -0.001 0.000 0.961 351 D HN 0.239 nan 8.370 nan 0.000 0.470 352 R N 1.009 121.477 120.500 -0.052 0.000 2.115 352 R HA -0.137 4.203 4.340 0.000 0.000 0.230 352 R C 2.208 178.432 176.300 -0.127 0.000 1.111 352 R CA 1.183 57.215 56.100 -0.114 0.000 0.976 352 R CB -0.048 30.172 30.300 -0.132 0.000 0.870 352 R HN 0.141 nan 8.270 nan 0.000 0.445 353 Q N -0.600 119.160 119.800 -0.066 0.000 2.084 353 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 353 Q C 1.868 177.856 176.000 -0.020 0.000 0.978 353 Q CA 2.040 57.814 55.803 -0.048 0.000 0.844 353 Q CB -0.165 28.567 28.738 -0.011 0.000 0.898 353 Q HN 0.511 nan 8.270 nan 0.000 0.426 354 H N 0.488 119.512 119.070 -0.076 0.000 2.357 354 H HA -0.138 4.418 4.556 0.000 0.000 0.301 354 H C 2.136 177.419 175.328 -0.075 0.000 1.082 354 H CA 2.270 58.282 56.048 -0.060 0.000 1.342 354 H CB -0.082 29.652 29.762 -0.047 0.000 1.389 354 H HN 0.479 nan 8.280 nan 0.000 0.511 355 Q N 0.164 119.846 119.800 -0.198 0.000 2.170 355 Q HA -0.142 4.198 4.340 0.000 0.000 0.203 355 Q C 2.116 177.941 176.000 -0.291 0.000 0.976 355 Q CA 1.298 56.938 55.803 -0.272 0.000 0.858 355 Q CB -0.160 28.457 28.738 -0.203 0.000 0.907 355 Q HN 0.403 nan 8.270 nan 0.000 0.433 356 R N 0.445 120.761 120.500 -0.307 0.000 2.115 356 R HA -0.065 4.275 4.340 0.000 0.000 0.226 356 R C 2.009 178.248 176.300 -0.101 0.000 1.100 356 R CA 1.398 57.296 56.100 -0.337 0.000 0.980 356 R CB 0.012 30.032 30.300 -0.467 0.000 0.875 356 R HN 0.387 nan 8.270 nan 0.000 0.445 357 E N 0.706 120.836 120.200 -0.117 0.000 2.106 357 E HA -0.122 4.228 4.350 0.000 0.000 0.192 357 E C 1.844 178.395 176.600 -0.081 0.000 0.984 357 E CA 0.903 57.266 56.400 -0.062 0.000 0.806 357 E CB 0.074 29.744 29.700 -0.049 0.000 0.750 357 E HN 0.222 nan 8.360 nan 0.000 0.458 358 L N 0.052 121.157 121.223 -0.196 0.000 2.056 358 L HA -0.146 4.194 4.340 0.000 0.000 0.207 358 L C 2.253 179.108 176.870 -0.025 0.000 1.078 358 L CA 0.737 55.487 54.840 -0.151 0.000 0.749 358 L CB -0.282 41.624 42.059 -0.255 0.000 0.901 358 L HN 0.197 nan 8.230 nan 0.000 0.433 359 L N -0.877 120.344 121.223 -0.003 0.000 2.201 359 L HA -0.125 4.215 4.340 0.000 0.000 0.212 359 L C 1.215 178.274 176.870 0.315 0.000 1.105 359 L CA 0.398 55.325 54.840 0.144 0.000 0.775 359 L CB -0.446 41.624 42.059 0.019 0.000 0.913 359 L HN 0.299 nan 8.230 nan 0.000 0.440 360 D N 0.674 121.208 120.400 0.223 0.000 2.399 360 D HA -0.024 4.616 4.640 0.000 0.000 0.241 360 D C 0.285 176.648 176.300 0.104 0.000 1.133 360 D CA 0.269 54.385 54.000 0.193 0.000 0.890 360 D CB 0.767 41.647 40.800 0.134 0.000 1.201 360 D HN 0.009 nan 8.370 nan 0.000 0.432 361 R N 2.367 122.901 120.500 0.056 0.000 2.569 361 R HA 0.034 4.374 4.340 0.000 0.000 0.429 361 R C 1.216 177.501 176.300 -0.025 0.000 0.994 361 R CA -0.139 55.963 56.100 0.003 0.000 1.089 361 R CB 0.013 30.299 30.300 -0.024 0.000 1.420 361 R HN 0.573 nan 8.270 nan 0.000 0.615 362 R N -0.740 119.751 120.500 -0.015 0.000 2.193 362 R HA -0.026 4.314 4.340 0.000 0.000 0.229 362 R C 1.238 177.521 176.300 -0.029 0.000 1.110 362 R CA 1.882 57.964 56.100 -0.029 0.000 0.988 362 R CB -0.079 30.210 30.300 -0.019 0.000 0.871 362 R HN 0.104 nan 8.270 nan 0.000 0.458 363 G N 0.278 109.065 108.800 -0.022 0.000 3.020 363 G HA2 0.328 4.288 3.960 0.000 0.000 0.217 363 G HA3 0.328 4.288 3.960 0.000 0.000 0.217 363 G C 0.275 175.159 174.900 -0.028 0.000 1.144 363 G CA 0.096 45.183 45.100 -0.022 0.000 0.760 363 G HN 0.461 nan 8.290 nan 0.000 0.548 364 A N 0.124 122.922 122.820 -0.036 0.000 2.371 364 A HA 0.507 4.827 4.320 0.000 0.000 0.257 364 A C 1.271 178.823 177.584 -0.053 0.000 1.089 364 A CA -0.050 51.959 52.037 -0.046 0.000 0.794 364 A CB 0.931 19.894 19.000 -0.061 0.000 1.029 364 A HN 0.177 nan 8.150 nan 0.000 0.488 365 Q N 1.213 120.983 119.800 -0.049 0.000 2.020 365 Q HA 0.010 4.350 4.340 0.000 0.000 0.198 365 Q C 0.470 176.435 176.000 -0.060 0.000 0.974 365 Q CA 1.777 57.551 55.803 -0.047 0.000 0.829 365 Q CB -0.587 28.130 28.738 -0.036 0.000 0.894 365 Q HN 0.815 nan 8.270 nan 0.000 0.433 366 L N 1.822 123.002 121.223 -0.070 0.000 3.762 366 L HA -0.245 4.095 4.340 0.000 0.000 0.460 366 L C -0.295 176.544 176.870 -0.051 0.000 1.255 366 L CA 0.424 55.213 54.840 -0.085 0.000 0.783 366 L CB -1.750 40.234 42.059 -0.126 0.000 1.600 366 L HN 0.518 nan 8.230 nan 0.000 0.862 367 N N 0.333 119.016 118.700 -0.028 0.000 2.320 367 N HA 0.017 4.757 4.740 0.000 0.000 0.237 367 N C 0.490 176.016 175.510 0.027 0.000 1.129 367 N CA -0.366 52.678 53.050 -0.010 0.000 0.854 367 N CB 0.325 38.800 38.487 -0.019 0.000 1.083 367 N HN 0.791 nan 8.380 nan 0.000 0.504 368 Q N 0.047 119.868 119.800 0.035 0.000 2.443 368 Q HA 0.262 4.602 4.340 0.000 0.000 0.232 368 Q C -1.360 174.719 176.000 0.131 0.000 1.026 368 Q CA -0.255 55.589 55.803 0.067 0.000 0.924 368 Q CB 0.775 29.542 28.738 0.049 0.000 1.256 368 Q HN 0.194 nan 8.270 nan 0.000 0.519 369 F N 0.199 120.117 119.950 -0.053 0.000 2.588 369 F HA 0.574 5.101 4.527 0.000 0.000 0.318 369 F C -0.842 174.921 175.800 -0.061 0.000 1.155 369 F CA -0.599 57.360 58.000 -0.069 0.000 0.967 369 F CB 1.622 40.585 39.000 -0.061 0.000 1.236 369 F HN 0.924 nan 8.300 nan 0.000 0.455 370 A N 4.659 127.109 122.820 -0.616 0.000 2.492 370 A HA 0.389 4.709 4.320 0.000 0.000 0.236 370 A C -0.498 176.825 177.584 -0.435 0.000 1.078 370 A CA -0.231 51.253 52.037 -0.921 0.000 0.773 370 A CB 0.011 18.594 19.000 -0.696 0.000 1.023 370 A HN 0.724 nan 8.150 nan 0.000 0.504 371 L N 1.944 122.929 121.223 -0.396 0.000 2.483 371 L HA 0.070 4.410 4.340 0.000 0.000 0.276 371 L C 1.235 177.923 176.870 -0.302 0.000 1.213 371 L CA 0.670 55.356 54.840 -0.257 0.000 0.843 371 L CB -0.071 41.816 42.059 -0.286 0.000 1.107 371 L HN 0.735 nan 8.230 nan 0.000 0.487 372 H N 4.265 123.161 119.070 -0.289 0.000 2.610 372 H HA 0.151 4.707 4.556 0.000 0.000 0.336 372 H C -1.810 173.239 175.328 -0.465 0.000 1.087 372 H CA -1.864 54.001 56.048 -0.304 0.000 1.405 372 H CB 1.645 31.289 29.762 -0.197 0.000 1.460 372 H HN 0.365 nan 8.280 nan 0.000 0.538 373 P HA -0.210 nan 4.420 nan 0.000 0.217 373 P C 1.624 178.639 177.300 -0.474 0.000 1.151 373 P CA 0.824 63.441 63.100 -0.805 0.000 0.849 373 P CB 0.311 31.004 31.700 -1.679 0.000 0.787 374 L N -1.187 119.945 121.223 -0.152 0.000 2.083 374 L HA -0.129 4.211 4.340 0.000 0.000 0.209 374 L C 2.517 179.274 176.870 -0.187 0.000 1.083 374 L CA 1.744 56.506 54.840 -0.131 0.000 0.752 374 L CB -0.972 41.040 42.059 -0.078 0.000 0.899 374 L HN -0.189 nan 8.230 nan 0.000 0.433 375 R N -0.080 120.318 120.500 -0.170 0.000 2.075 375 R HA -0.065 4.275 4.340 0.000 0.000 0.232 375 R C 2.121 178.289 176.300 -0.219 0.000 1.126 375 R CA 1.612 57.605 56.100 -0.179 0.000 0.963 375 R CB -0.603 29.608 30.300 -0.147 0.000 0.858 375 R HN 0.384 nan 8.270 nan 0.000 0.435 376 I N -0.369 120.008 120.570 -0.322 0.000 2.202 376 I HA -0.233 3.937 4.170 0.000 0.000 0.242 376 I C 2.076 178.099 176.117 -0.156 0.000 1.091 376 I CA 1.046 62.122 61.300 -0.373 0.000 1.368 376 I CB -0.334 37.151 38.000 -0.858 0.000 1.058 376 I HN -0.046 nan 8.210 nan 0.000 0.410 377 V N 1.048 120.913 119.914 -0.082 0.000 2.332 377 V HA -0.305 3.815 4.120 0.000 0.000 0.248 377 V C 2.685 178.697 176.094 -0.137 0.000 1.055 377 V CA 1.948 64.270 62.300 0.036 0.000 1.038 377 V CB -0.822 30.957 31.823 -0.073 0.000 0.651 377 V HN 0.434 nan 8.190 nan 0.000 0.450 378 R N 0.071 120.450 120.500 -0.202 0.000 2.075 378 R HA -0.142 4.198 4.340 0.000 0.000 0.232 378 R C 2.295 178.502 176.300 -0.155 0.000 1.126 378 R CA 1.666 57.644 56.100 -0.204 0.000 0.963 378 R CB -0.404 29.792 30.300 -0.173 0.000 0.858 378 R HN 0.491 nan 8.270 nan 0.000 0.435 379 A N 0.917 123.660 122.820 -0.127 0.000 1.902 379 A HA -0.160 4.160 4.320 0.000 0.000 0.217 379 A C 2.243 179.791 177.584 -0.060 0.000 1.181 379 A CA 1.459 53.435 52.037 -0.102 0.000 0.623 379 A CB -0.398 18.531 19.000 -0.119 0.000 0.818 379 A HN 0.334 nan 8.150 nan 0.000 0.443 380 M N -1.059 118.538 119.600 -0.005 0.000 2.159 380 M HA -0.219 4.261 4.480 0.000 0.000 0.263 380 M C 2.362 178.720 176.300 0.096 0.000 1.063 380 M CA 1.615 56.988 55.300 0.122 0.000 1.110 380 M CB -0.352 32.450 32.600 0.337 0.000 1.374 380 M HN 0.482 nan 8.290 nan 0.000 0.411 381 Q N 0.111 119.831 119.800 -0.133 0.000 2.226 381 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 381 Q C 1.252 177.174 176.000 -0.130 0.000 0.975 381 Q CA 0.991 56.609 55.803 -0.309 0.000 0.866 381 Q CB -0.053 28.374 28.738 -0.517 0.000 0.915 381 Q HN 0.487 nan 8.270 nan 0.000 0.440 382 D N 0.263 120.608 120.400 -0.091 0.000 2.277 382 D HA -0.075 4.565 4.640 0.000 0.000 0.208 382 D C 1.735 178.017 176.300 -0.030 0.000 0.962 382 D CA 0.841 54.803 54.000 -0.062 0.000 0.865 382 D CB 0.145 40.905 40.800 -0.066 0.000 0.939 382 D HN 0.473 nan 8.370 nan 0.000 0.510 383 I N -2.431 118.135 120.570 -0.008 0.000 3.941 383 I HA 0.112 4.282 4.170 0.000 0.000 0.321 383 I C 0.177 176.317 176.117 0.038 0.000 1.284 383 I CA -0.064 61.239 61.300 0.006 0.000 1.226 383 I CB 0.444 38.441 38.000 -0.005 0.000 1.045 383 I HN -0.358 nan 8.210 nan 0.000 0.420 384 V N 4.526 124.484 119.914 0.074 0.000 2.364 384 V HA 0.320 4.440 4.120 0.000 0.000 0.272 384 V C -0.571 175.571 176.094 0.081 0.000 1.036 384 V CA -0.350 62.016 62.300 0.109 0.000 0.880 384 V CB 0.383 32.341 31.823 0.225 0.000 0.991 384 V HN 0.637 nan 8.190 nan 0.000 0.460 385 N N 2.282 121.018 118.700 0.060 0.000 3.038 385 N HA 0.312 5.052 4.740 0.000 0.000 0.307 385 N C 0.956 176.492 175.510 0.042 0.000 1.441 385 N CA -0.273 52.803 53.050 0.043 0.000 0.772 385 N CB 0.840 39.343 38.487 0.026 0.000 1.651 385 N HN 0.323 nan 8.380 nan 0.000 0.593 386 S N -2.060 113.658 115.700 0.030 0.000 2.493 386 S HA -0.145 4.325 4.470 0.000 0.000 0.243 386 S C 0.152 174.766 174.600 0.024 0.000 0.991 386 S CA 1.028 59.242 58.200 0.023 0.000 0.957 386 S CB -0.516 62.693 63.200 0.015 0.000 0.756 386 S HN 0.588 nan 8.310 nan 0.000 0.521 387 D N 0.592 121.010 120.400 0.030 0.000 2.369 387 D HA 0.284 4.924 4.640 0.000 0.000 0.211 387 D C -0.361 175.967 176.300 0.045 0.000 1.077 387 D CA 0.145 54.164 54.000 0.033 0.000 0.842 387 D CB 0.993 41.812 40.800 0.032 0.000 0.947 387 D HN 0.276 nan 8.370 nan 0.000 0.509 388 V N 0.905 120.849 119.914 0.050 0.000 2.555 388 V HA 0.282 4.402 4.120 0.000 0.000 0.302 388 V C 0.439 176.567 176.094 0.058 0.000 1.038 388 V CA -0.543 61.795 62.300 0.063 0.000 0.887 388 V CB 2.208 34.071 31.823 0.066 0.000 0.991 388 V HN -0.123 nan 8.190 nan 0.000 0.434 389 T N 5.340 119.934 114.554 0.066 0.000 2.909 389 T HA 0.636 4.986 4.350 0.000 0.000 0.286 389 T C -0.704 174.026 174.700 0.050 0.000 1.002 389 T CA -0.195 61.935 62.100 0.050 0.000 1.074 389 T CB 1.278 70.183 68.868 0.061 0.000 0.984 389 T HN 0.420 nan 8.240 nan 0.000 0.495 390 L N 3.458 124.693 121.223 0.020 0.000 2.381 390 L HA 0.643 4.983 4.340 0.000 0.000 0.274 390 L C -0.107 176.767 176.870 0.008 0.000 0.988 390 L CA -0.261 54.580 54.840 0.001 0.000 0.824 390 L CB 1.774 43.797 42.059 -0.060 0.000 1.263 390 L HN 0.791 nan 8.230 nan 0.000 0.410 391 T N 2.194 116.789 114.554 0.068 0.000 2.829 391 T HA 0.825 5.175 4.350 0.000 0.000 0.280 391 T C -0.693 174.105 174.700 0.162 0.000 0.999 391 T CA -0.696 61.510 62.100 0.176 0.000 0.983 391 T CB 1.539 70.601 68.868 0.322 0.000 0.968 391 T HN 0.376 nan 8.240 nan 0.000 0.446 392 V N 3.205 123.264 119.914 0.240 0.000 2.540 392 V HA 0.438 4.558 4.120 0.000 0.000 0.302 392 V C 0.203 176.495 176.094 0.331 0.000 1.035 392 V CA -0.907 61.519 62.300 0.209 0.000 0.873 392 V CB 1.658 33.521 31.823 0.067 0.000 0.992 392 V HN 1.019 nan 8.190 nan 0.000 0.428 393 D N 2.077 122.688 120.400 0.351 0.000 2.425 393 D HA 0.376 5.016 4.640 0.000 0.000 0.274 393 D C -0.477 176.055 176.300 0.388 0.000 1.242 393 D CA -0.460 53.709 54.000 0.282 0.000 1.060 393 D CB 1.369 42.315 40.800 0.244 0.000 1.112 393 D HN 0.413 nan 8.370 nan 0.000 0.561 394 M N -0.256 119.445 119.600 0.168 0.000 2.294 394 M HA 0.508 4.988 4.480 0.000 0.000 0.335 394 M C -0.411 175.752 176.300 -0.229 0.000 1.079 394 M CA -0.076 55.118 55.300 -0.175 0.000 0.982 394 M CB 1.029 33.486 32.600 -0.239 0.000 1.651 394 M HN 0.435 nan 8.290 nan 0.000 0.437 395 G N 1.753 110.153 108.800 -0.666 0.000 2.341 395 G HA2 0.185 4.145 3.960 0.000 0.000 0.293 395 G HA3 0.185 4.145 3.960 0.000 0.000 0.293 395 G C -0.280 174.157 174.900 -0.772 0.000 1.298 395 G CA -0.250 44.518 45.100 -0.554 0.000 0.868 395 G HN 0.546 nan 8.290 nan 0.000 0.540 396 S N -0.412 115.029 115.700 -0.432 0.000 2.383 396 S HA -0.107 4.363 4.470 0.000 0.000 0.229 396 S C 2.171 176.652 174.600 -0.198 0.000 1.030 396 S CA 2.608 60.608 58.200 -0.333 0.000 1.002 396 S CB -0.581 62.321 63.200 -0.497 0.000 0.829 396 S HN 0.822 nan 8.310 nan 0.000 0.467 397 F N 1.520 121.422 119.950 -0.080 0.000 2.202 397 F HA -0.102 4.425 4.527 0.000 0.000 0.301 397 F C 2.010 177.663 175.800 -0.246 0.000 1.082 397 F CA 1.582 59.240 58.000 -0.570 0.000 1.313 397 F CB -1.291 36.758 39.000 -1.585 0.000 1.024 397 F HN 0.286 nan 8.300 nan 0.000 0.495 398 H N 0.502 118.905 119.070 -1.111 0.000 2.353 398 H HA -0.126 4.430 4.556 0.000 0.000 0.300 398 H C 2.057 177.254 175.328 -0.219 0.000 1.090 398 H CA 2.251 57.959 56.048 -0.566 0.000 1.327 398 H CB -0.014 29.334 29.762 -0.689 0.000 1.383 398 H HN 0.193 nan 8.280 nan 0.000 0.508 399 I N -0.358 120.197 120.570 -0.025 0.000 2.226 399 I HA -0.273 3.897 4.170 0.000 0.000 0.245 399 I C 1.851 178.050 176.117 0.137 0.000 1.100 399 I CA 0.972 62.285 61.300 0.020 0.000 1.374 399 I CB -1.552 36.366 38.000 -0.136 0.000 1.057 399 I HN 0.469 nan 8.210 nan 0.000 0.413 400 W N 1.256 122.643 121.300 0.145 0.000 2.355 400 W HA -0.126 4.534 4.660 -0.000 0.000 0.309 400 W C 2.660 179.407 176.519 0.381 0.000 1.206 400 W CA 0.851 58.380 57.345 0.306 0.000 1.284 400 W CB -0.527 29.142 29.460 0.348 0.000 1.145 400 W HN -0.011 nan 8.180 nan 0.000 0.502 401 I N -0.085 120.753 120.570 0.447 0.000 2.226 401 I HA -0.301 3.869 4.170 0.000 0.000 0.245 401 I C 2.552 178.847 176.117 0.297 0.000 1.100 401 I CA 1.340 62.849 61.300 0.348 0.000 1.374 401 I CB -0.983 37.033 38.000 0.027 0.000 1.057 401 I HN -0.038 nan 8.210 nan 0.000 0.413 402 A N 0.851 123.783 122.820 0.186 0.000 1.940 402 A HA -0.273 4.047 4.320 0.000 0.000 0.219 402 A C 2.309 180.147 177.584 0.424 0.000 1.176 402 A CA 1.973 54.183 52.037 0.288 0.000 0.631 402 A CB -0.553 18.584 19.000 0.229 0.000 0.814 402 A HN 0.313 nan 8.150 nan 0.000 0.446 403 R N -1.317 119.382 120.500 0.332 0.000 2.120 403 R HA -0.114 4.226 4.340 0.000 0.000 0.234 403 R C 0.590 176.813 176.300 -0.128 0.000 1.123 403 R CA 1.562 57.539 56.100 -0.205 0.000 0.975 403 R CB -0.616 29.506 30.300 -0.296 0.000 0.866 403 R HN 0.570 nan 8.270 nan 0.000 0.446 404 Y N -0.265 120.166 120.300 0.217 0.000 2.607 404 Y HA 0.271 4.821 4.550 0.000 0.000 0.266 404 Y C 1.153 177.108 175.900 0.091 0.000 1.178 404 Y CA -0.372 57.752 58.100 0.039 0.000 1.226 404 Y CB 0.192 38.670 38.460 0.032 0.000 1.144 404 Y HN -0.045 nan 8.280 nan 0.000 0.528 405 L N -0.388 121.052 121.223 0.362 0.000 2.187 405 L HA -0.289 4.051 4.340 0.000 0.000 0.213 405 L C 2.295 179.325 176.870 0.266 0.000 1.100 405 L CA 1.688 56.744 54.840 0.360 0.000 0.765 405 L CB -0.537 41.688 42.059 0.277 0.000 0.904 405 L HN 0.540 nan 8.230 nan 0.000 0.437 406 Y N -0.890 119.538 120.300 0.213 0.000 2.403 406 Y HA -0.155 4.395 4.550 0.000 0.000 0.291 406 Y C 2.374 178.343 175.900 0.115 0.000 1.143 406 Y CA 1.123 59.312 58.100 0.149 0.000 1.257 406 Y CB -1.315 37.220 38.460 0.126 0.000 0.984 406 Y HN 0.151 nan 8.280 nan 0.000 0.550 407 T N -3.657 110.590 114.554 -0.512 0.000 3.086 407 T HA 0.205 4.555 4.350 0.000 0.000 0.250 407 T C -0.182 174.329 174.700 -0.315 0.000 1.074 407 T CA -0.419 61.419 62.100 -0.437 0.000 0.988 407 T CB -0.747 67.749 68.868 -0.621 0.000 0.988 407 T HN 0.133 nan 8.240 nan 0.000 0.530 408 F N 2.443 122.346 119.950 -0.079 0.000 2.390 408 F HA 0.530 5.057 4.527 0.000 0.000 0.361 408 F C 0.698 176.482 175.800 -0.027 0.000 1.124 408 F CA -1.275 56.706 58.000 -0.032 0.000 1.149 408 F CB 0.956 39.953 39.000 -0.005 0.000 1.160 408 F HN -0.223 nan 8.300 nan 0.000 0.501 409 R N 2.857 123.422 120.500 0.108 0.000 4.231 409 R HA 0.436 4.776 4.340 0.000 0.000 0.250 409 R C -0.100 176.246 176.300 0.076 0.000 1.600 409 R CA -0.264 55.874 56.100 0.064 0.000 1.523 409 R CB 0.049 30.363 30.300 0.023 0.000 1.422 409 R HN 0.558 nan 8.270 nan 0.000 0.759 410 A N 0.188 123.066 122.820 0.097 0.000 2.279 410 A HA 0.317 4.637 4.320 0.000 0.000 0.303 410 A C 1.131 178.734 177.584 0.031 0.000 1.108 410 A CA -0.644 51.435 52.037 0.071 0.000 0.830 410 A CB 0.711 19.755 19.000 0.074 0.000 1.106 410 A HN 0.612 nan 8.150 nan 0.000 0.493 411 R N -0.200 120.316 120.500 0.026 0.000 2.105 411 R HA -0.128 4.212 4.340 0.000 0.000 0.239 411 R C 0.400 176.697 176.300 -0.005 0.000 1.135 411 R CA 2.189 58.295 56.100 0.010 0.000 0.967 411 R CB -0.088 30.221 30.300 0.015 0.000 0.861 411 R HN 0.872 nan 8.270 nan 0.000 0.442 412 Q N -2.079 117.718 119.800 -0.006 0.000 2.647 412 Q HA 0.413 4.753 4.340 0.000 0.000 0.283 412 Q C -1.808 174.172 176.000 -0.034 0.000 0.943 412 Q CA -1.095 54.692 55.803 -0.027 0.000 0.813 412 Q CB 1.880 30.597 28.738 -0.036 0.000 1.477 412 Q HN -0.052 nan 8.270 nan 0.000 0.393 413 V N 1.987 121.866 119.914 -0.058 0.000 2.686 413 V HA 0.496 4.616 4.120 0.000 0.000 0.306 413 V C -0.769 175.258 176.094 -0.111 0.000 1.065 413 V CA -0.597 61.658 62.300 -0.075 0.000 0.894 413 V CB 1.968 33.744 31.823 -0.078 0.000 1.004 413 V HN 0.820 nan 8.190 nan 0.000 0.424 414 M N 5.541 125.057 119.600 -0.141 0.000 2.066 414 M HA 0.530 5.010 4.480 0.000 0.000 0.340 414 M C 0.324 176.557 176.300 -0.112 0.000 1.053 414 M CA 0.023 55.145 55.300 -0.297 0.000 0.983 414 M CB 1.617 33.865 32.600 -0.587 0.000 1.520 414 M HN 0.759 nan 8.290 nan 0.000 0.428 415 I N 0.037 120.584 120.570 -0.038 0.000 4.738 415 I HA 0.140 4.310 4.170 0.000 0.000 0.315 415 I C 0.756 177.029 176.117 0.260 0.000 1.214 415 I CA 0.279 61.662 61.300 0.138 0.000 1.337 415 I CB 0.899 38.896 38.000 -0.004 0.000 1.433 415 I HN 0.577 nan 8.210 nan 0.000 0.472 416 S N 2.514 118.308 115.700 0.157 0.000 2.702 416 S HA -0.068 4.402 4.470 0.000 0.000 0.314 416 S C 0.087 174.824 174.600 0.228 0.000 1.244 416 S CA 0.643 58.952 58.200 0.181 0.000 1.058 416 S CB -0.335 62.938 63.200 0.122 0.000 0.783 416 S HN 0.506 nan 8.310 nan 0.000 0.503 417 N N 3.149 121.949 118.700 0.167 0.000 2.824 417 N HA 0.202 4.942 4.740 0.000 0.000 0.224 417 N C 0.702 176.219 175.510 0.011 0.000 1.418 417 N CA 0.225 53.355 53.050 0.134 0.000 0.743 417 N CB 0.206 38.761 38.487 0.113 0.000 1.395 417 N HN 0.624 nan 8.380 nan 0.000 0.548 418 G N 0.556 109.375 108.800 0.032 0.000 2.442 418 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 418 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 418 G C 0.997 175.879 174.900 -0.029 0.000 1.141 418 G CA 0.774 45.871 45.100 -0.004 0.000 0.763 418 G HN 0.434 nan 8.290 nan 0.000 0.554 419 Q N -0.349 119.443 119.800 -0.013 0.000 2.435 419 Q HA 0.030 4.370 4.340 0.000 0.000 0.207 419 Q C 0.814 176.772 176.000 -0.070 0.000 0.956 419 Q CA 0.364 56.150 55.803 -0.029 0.000 0.917 419 Q CB 0.088 28.826 28.738 0.000 0.000 0.997 419 Q HN 0.673 nan 8.270 nan 0.000 0.497 420 Q N 0.290 120.031 119.800 -0.100 0.000 2.487 420 Q HA -0.122 4.218 4.340 0.000 0.000 0.279 420 Q C -0.847 175.063 176.000 -0.151 0.000 1.228 420 Q CA 0.499 56.202 55.803 -0.166 0.000 0.873 420 Q CB -2.060 26.568 28.738 -0.184 0.000 1.260 420 Q HN 0.226 nan 8.270 nan 0.000 0.471 421 T N 1.598 116.075 114.554 -0.129 0.000 2.779 421 T HA 0.343 4.693 4.350 0.000 0.000 0.296 421 T C 0.661 175.230 174.700 -0.218 0.000 0.938 421 T CA -0.180 61.838 62.100 -0.137 0.000 1.119 421 T CB 0.282 69.095 68.868 -0.093 0.000 0.891 421 T HN 0.290 nan 8.240 nan 0.000 0.526 422 M N 1.448 120.948 119.600 -0.167 0.000 2.247 422 M HA 0.614 5.094 4.480 0.000 0.000 0.326 422 M C 1.089 177.261 176.300 -0.215 0.000 1.134 422 M CA 0.005 55.216 55.300 -0.150 0.000 1.136 422 M CB 0.478 33.042 32.600 -0.058 0.000 1.454 422 M HN 0.724 nan 8.290 nan 0.000 0.467 423 G N 0.937 109.606 108.800 -0.219 0.000 2.175 423 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 423 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 423 G C 0.369 174.941 174.900 -0.545 0.000 0.982 423 G CA 0.544 45.486 45.100 -0.264 0.000 0.641 423 G HN 1.285 nan 8.290 nan 0.000 0.527 424 V N -1.999 117.382 119.914 -0.888 0.000 2.719 424 V HA 0.457 4.577 4.120 0.000 0.000 0.252 424 V C 2.845 178.307 176.094 -1.054 0.000 1.065 424 V CA 1.730 63.094 62.300 -1.559 0.000 1.086 424 V CB -0.919 29.520 31.823 -2.307 0.000 0.700 424 V HN 1.331 nan 8.190 nan 0.000 0.467 425 A N 1.363 123.901 122.820 -0.470 0.000 1.849 425 A HA -0.209 4.111 4.320 0.000 0.000 0.217 425 A C 2.202 179.844 177.584 0.096 0.000 1.202 425 A CA 2.499 54.524 52.037 -0.021 0.000 0.629 425 A CB -0.940 18.127 19.000 0.111 0.000 0.834 425 A HN 0.583 nan 8.150 nan 0.000 0.447 426 L N 0.583 121.843 121.223 0.063 0.000 1.989 426 L HA -0.077 4.263 4.340 0.000 0.000 0.211 426 L C -0.668 176.236 176.870 0.056 0.000 1.071 426 L CA 2.657 57.529 54.840 0.053 0.000 0.749 426 L CB -1.407 40.562 42.059 -0.151 0.000 0.890 426 L HN 0.173 nan 8.230 nan 0.000 0.431 427 P HA -0.171 nan 4.420 nan 0.000 0.215 427 P C 1.216 178.626 177.300 0.184 0.000 1.153 427 P CA 1.448 64.592 63.100 0.072 0.000 0.853 427 P CB -0.305 31.461 31.700 0.110 0.000 0.788 428 W N 0.147 121.457 121.300 0.015 0.000 2.338 428 W HA -0.044 4.616 4.660 0.000 0.000 0.304 428 W C 2.571 179.122 176.519 0.053 0.000 1.212 428 W CA 1.214 58.571 57.345 0.020 0.000 1.264 428 W CB -1.664 27.792 29.460 -0.008 0.000 1.142 428 W HN -0.052 nan 8.180 nan 0.000 0.512 429 A N -0.174 122.830 122.820 0.307 0.000 1.898 429 A HA -0.143 4.177 4.320 0.000 0.000 0.216 429 A C 2.054 179.788 177.584 0.250 0.000 1.181 429 A CA 1.666 53.847 52.037 0.239 0.000 0.620 429 A CB -0.909 18.214 19.000 0.206 0.000 0.819 429 A HN 0.210 nan 8.150 nan 0.000 0.442 430 I N -0.328 120.372 120.570 0.216 0.000 2.226 430 I HA -0.200 3.970 4.170 0.000 0.000 0.245 430 I C 2.693 179.005 176.117 0.326 0.000 1.100 430 I CA 1.133 62.586 61.300 0.255 0.000 1.374 430 I CB -0.644 37.461 38.000 0.176 0.000 1.057 430 I HN 0.404 nan 8.210 nan 0.000 0.413 431 G N 0.539 109.466 108.800 0.211 0.000 2.421 431 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 431 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 431 G C 1.869 176.895 174.900 0.209 0.000 1.171 431 G CA 0.794 46.001 45.100 0.177 0.000 0.775 431 G HN 0.484 nan 8.290 nan 0.000 0.543 432 A N -0.194 122.740 122.820 0.191 0.000 1.972 432 A HA -0.065 4.255 4.320 0.000 0.000 0.219 432 A C 2.136 179.826 177.584 0.177 0.000 1.169 432 A CA 1.612 53.736 52.037 0.145 0.000 0.635 432 A CB -0.653 18.421 19.000 0.123 0.000 0.810 432 A HN 0.587 nan 8.150 nan 0.000 0.446 433 W N 0.529 121.885 121.300 0.092 0.000 2.381 433 W HA -0.076 4.584 4.660 0.000 0.000 0.301 433 W C 1.631 178.208 176.519 0.097 0.000 1.205 433 W CA 1.595 58.993 57.345 0.088 0.000 1.285 433 W CB -0.299 29.217 29.460 0.093 0.000 1.133 433 W HN 0.228 nan 8.180 nan 0.000 0.521 434 L N 0.038 121.329 121.223 0.115 0.000 2.191 434 L HA -0.229 4.111 4.340 0.000 0.000 0.212 434 L C 2.113 178.895 176.870 -0.146 0.000 1.103 434 L CA 0.894 55.690 54.840 -0.075 0.000 0.769 434 L CB -0.936 41.271 42.059 0.246 0.000 0.908 434 L HN -0.112 nan 8.230 nan 0.000 0.438 435 V N -0.569 119.309 119.914 -0.060 0.000 2.453 435 V HA -0.164 3.957 4.120 0.000 0.000 0.247 435 V C 0.211 176.226 176.094 -0.132 0.000 1.048 435 V CA 1.374 63.640 62.300 -0.056 0.000 1.049 435 V CB -0.438 31.384 31.823 -0.000 0.000 0.672 435 V HN 0.514 nan 8.190 nan 0.000 0.457 436 N N -0.319 118.258 118.700 -0.205 0.000 2.752 436 N HA 0.230 4.970 4.740 0.000 0.000 0.260 436 N C -2.226 173.039 175.510 -0.407 0.000 1.562 436 N CA -0.876 52.044 53.050 -0.217 0.000 0.788 436 N CB 1.416 39.842 38.487 -0.101 0.000 1.192 436 N HN 0.149 nan 8.380 nan 0.000 0.503 437 P HA -0.200 nan 4.420 nan 0.000 0.226 437 P C 0.616 177.741 177.300 -0.291 0.000 1.146 437 P CA 1.255 63.716 63.100 -1.066 0.000 0.773 437 P CB 0.447 31.554 31.700 -0.988 0.000 0.772 438 E N -0.087 120.027 120.200 -0.142 0.000 2.478 438 E HA 0.007 4.357 4.350 0.000 0.000 0.194 438 E C 0.742 177.382 176.600 0.067 0.000 1.045 438 E CA 0.238 56.642 56.400 0.007 0.000 0.868 438 E CB -0.083 29.610 29.700 -0.011 0.000 0.885 438 E HN 0.279 nan 8.360 nan 0.000 0.505 439 R N 0.364 120.900 120.500 0.061 0.000 2.782 439 R HA 0.478 4.818 4.340 0.000 0.000 0.258 439 R C -0.376 176.060 176.300 0.228 0.000 1.055 439 R CA -0.906 55.260 56.100 0.111 0.000 1.065 439 R CB 1.143 31.481 30.300 0.063 0.000 1.172 439 R HN -0.158 nan 8.270 nan 0.000 0.510 440 K N 0.392 120.901 120.400 0.180 0.000 2.098 440 K HA 0.403 4.723 4.320 0.000 0.000 0.258 440 K C -1.274 175.433 176.600 0.179 0.000 0.973 440 K CA -0.421 55.980 56.287 0.190 0.000 0.898 440 K CB 1.516 34.085 32.500 0.115 0.000 1.057 440 K HN 0.264 nan 8.250 nan 0.000 0.447 441 V N 3.412 123.432 119.914 0.176 0.000 2.709 441 V HA 0.461 4.581 4.120 0.000 0.000 0.308 441 V C -1.092 175.063 176.094 0.102 0.000 1.062 441 V CA -0.998 61.393 62.300 0.151 0.000 0.901 441 V CB 2.012 33.961 31.823 0.210 0.000 1.003 441 V HN 0.513 nan 8.190 nan 0.000 0.425 442 V N 3.813 123.776 119.914 0.081 0.000 2.448 442 V HA 0.629 4.749 4.120 0.000 0.000 0.295 442 V C 0.056 176.176 176.094 0.043 0.000 1.025 442 V CA -0.343 61.987 62.300 0.050 0.000 0.859 442 V CB 2.140 33.985 31.823 0.036 0.000 0.988 442 V HN 1.017 nan 8.190 nan 0.000 0.431 443 S N 4.195 119.912 115.700 0.028 0.000 2.503 443 S HA 0.843 5.313 4.470 0.000 0.000 0.301 443 S C -0.847 173.592 174.600 -0.268 0.000 1.087 443 S CA -0.786 57.423 58.200 0.015 0.000 1.042 443 S CB 2.039 65.381 63.200 0.236 0.000 1.043 443 S HN 0.670 nan 8.310 nan 0.000 0.489 444 V N 2.205 121.968 119.914 -0.252 0.000 2.709 444 V HA 0.908 5.028 4.120 0.000 0.000 0.308 444 V C -0.538 175.245 176.094 -0.519 0.000 1.062 444 V CA 0.280 62.318 62.300 -0.438 0.000 0.901 444 V CB 1.806 33.489 31.823 -0.233 0.000 1.003 444 V HN 1.490 nan 8.190 nan 0.000 0.425 445 S N 4.161 119.400 115.700 -0.768 0.000 2.752 445 S HA 0.893 5.363 4.470 0.000 0.000 0.284 445 S C -0.168 173.853 174.600 -0.964 0.000 1.189 445 S CA -0.187 57.508 58.200 -0.842 0.000 0.835 445 S CB 1.284 64.463 63.200 -0.035 0.000 1.192 445 S HN 1.441 nan 8.310 nan 0.000 0.506 446 G N -0.298 108.227 108.800 -0.458 0.000 2.705 446 G HA2 0.498 4.458 3.960 0.000 0.000 0.299 446 G HA3 0.498 4.458 3.960 0.000 0.000 0.299 446 G C -0.179 174.779 174.900 0.097 0.000 1.315 446 G CA -0.212 44.870 45.100 -0.029 0.000 1.045 446 G HN 0.751 nan 8.290 nan 0.000 0.517 447 D N -0.854 119.659 120.400 0.188 0.000 2.224 447 D HA -0.001 4.639 4.640 0.000 0.000 0.205 447 D C 2.137 178.642 176.300 0.342 0.000 0.965 447 D CA 1.120 55.263 54.000 0.239 0.000 0.852 447 D CB -0.599 40.456 40.800 0.425 0.000 0.947 447 D HN 0.459 nan 8.370 nan 0.000 0.494 448 G N 0.783 109.856 108.800 0.454 0.000 2.484 448 G HA2 -0.153 3.807 3.960 0.000 0.000 0.215 448 G HA3 -0.153 3.807 3.960 0.000 0.000 0.215 448 G C 1.725 176.812 174.900 0.313 0.000 1.219 448 G CA 0.879 46.290 45.100 0.518 0.000 0.791 448 G HN 0.437 nan 8.290 nan 0.000 0.550 449 G N 0.048 109.005 108.800 0.262 0.000 2.422 449 G HA2 -0.135 3.825 3.960 0.000 0.000 0.218 449 G HA3 -0.135 3.825 3.960 0.000 0.000 0.218 449 G C 1.618 176.569 174.900 0.085 0.000 1.140 449 G CA 0.875 46.053 45.100 0.132 0.000 0.775 449 G HN 0.348 nan 8.290 nan 0.000 0.545 450 F N 0.855 120.801 119.950 -0.007 0.000 2.095 450 F HA 0.005 4.532 4.527 0.000 0.000 0.298 450 F C 2.117 177.869 175.800 -0.081 0.000 1.104 450 F CA 0.924 58.875 58.000 -0.080 0.000 1.232 450 F CB -0.228 38.705 39.000 -0.112 0.000 0.987 450 F HN 0.071 nan 8.300 nan 0.000 0.475 451 L N 0.395 121.563 121.223 -0.092 0.000 2.549 451 L HA -0.087 4.253 4.340 0.000 0.000 0.229 451 L C 2.036 178.807 176.870 -0.166 0.000 1.158 451 L CA 1.323 56.050 54.840 -0.188 0.000 0.842 451 L CB -0.764 41.263 42.059 -0.054 0.000 0.952 451 L HN 0.297 nan 8.230 nan 0.000 0.452 452 Q N -1.954 117.761 119.800 -0.141 0.000 2.354 452 Q HA 0.048 4.388 4.340 0.000 0.000 0.203 452 Q C 1.468 177.364 176.000 -0.174 0.000 0.933 452 Q CA 1.155 56.882 55.803 -0.128 0.000 0.901 452 Q CB 0.322 29.008 28.738 -0.086 0.000 1.007 452 Q HN 0.622 nan 8.270 nan 0.000 0.495 453 S N -1.548 114.016 115.700 -0.227 0.000 2.787 453 S HA 0.041 4.511 4.470 0.000 0.000 0.255 453 S C 1.517 175.943 174.600 -0.290 0.000 1.051 453 S CA 0.140 58.219 58.200 -0.202 0.000 1.124 453 S CB 0.299 63.408 63.200 -0.151 0.000 1.104 453 S HN 0.202 nan 8.310 nan 0.000 0.623 454 S N 3.194 118.598 115.700 -0.494 0.000 2.500 454 S HA -0.132 4.338 4.470 0.000 0.000 0.239 454 S C 2.145 176.579 174.600 -0.277 0.000 0.989 454 S CA 0.890 58.701 58.200 -0.649 0.000 0.951 454 S CB -0.874 61.641 63.200 -1.143 0.000 0.759 454 S HN 0.706 nan 8.310 nan 0.000 0.523 455 M N 0.725 120.281 119.600 -0.074 0.000 2.358 455 M HA 0.051 4.531 4.480 0.000 0.000 0.264 455 M C 0.931 177.267 176.300 0.060 0.000 1.064 455 M CA 1.493 56.858 55.300 0.108 0.000 1.093 455 M CB -1.193 31.478 32.600 0.119 0.000 1.401 455 M HN 0.086 nan 8.290 nan 0.000 0.440 456 E N 1.410 121.581 120.200 -0.048 0.000 2.516 456 E HA 0.115 4.465 4.350 0.000 0.000 0.199 456 E C 2.170 178.709 176.600 -0.103 0.000 1.069 456 E CA 0.296 56.679 56.400 -0.029 0.000 0.876 456 E CB -0.527 29.160 29.700 -0.022 0.000 0.843 456 E HN 0.624 nan 8.360 nan 0.000 0.530 457 L N 0.721 121.768 121.223 -0.294 0.000 2.201 457 L HA -0.143 4.197 4.340 0.000 0.000 0.212 457 L C 2.504 179.261 176.870 -0.189 0.000 1.105 457 L CA 0.987 55.554 54.840 -0.456 0.000 0.775 457 L CB -0.102 41.240 42.059 -1.196 0.000 0.913 457 L HN 0.086 nan 8.230 nan 0.000 0.440 458 E N -0.182 120.064 120.200 0.077 0.000 2.107 458 E HA -0.169 4.181 4.350 0.000 0.000 0.191 458 E C 1.928 178.600 176.600 0.120 0.000 0.982 458 E CA 1.625 58.183 56.400 0.262 0.000 0.809 458 E CB 0.099 29.989 29.700 0.316 0.000 0.756 458 E HN 0.359 nan 8.360 nan 0.000 0.459 459 T N 0.960 115.568 114.554 0.089 0.000 2.746 459 T HA -0.096 4.254 4.350 0.000 0.000 0.267 459 T C 1.863 176.599 174.700 0.060 0.000 1.039 459 T CA 1.616 63.771 62.100 0.091 0.000 1.142 459 T CB -0.300 68.635 68.868 0.111 0.000 0.866 459 T HN 0.322 nan 8.240 nan 0.000 0.444 460 A N 0.937 123.761 122.820 0.008 0.000 1.877 460 A HA -0.068 4.252 4.320 0.000 0.000 0.216 460 A C 2.584 180.130 177.584 -0.065 0.000 1.186 460 A CA 1.494 53.499 52.037 -0.053 0.000 0.620 460 A CB -1.046 17.901 19.000 -0.088 0.000 0.822 460 A HN 0.356 nan 8.150 nan 0.000 0.443 461 V N -0.094 119.810 119.914 -0.016 0.000 2.343 461 V HA -0.236 3.884 4.120 0.000 0.000 0.247 461 V C 2.631 178.735 176.094 0.017 0.000 1.051 461 V CA 2.187 64.489 62.300 0.004 0.000 1.036 461 V CB -0.800 31.058 31.823 0.058 0.000 0.654 461 V HN 0.613 nan 8.190 nan 0.000 0.451 462 R N -0.284 120.242 120.500 0.043 0.000 2.105 462 R HA -0.113 4.227 4.340 0.000 0.000 0.239 462 R C 2.014 178.351 176.300 0.061 0.000 1.135 462 R CA 1.488 57.622 56.100 0.057 0.000 0.967 462 R CB -0.151 30.194 30.300 0.075 0.000 0.861 462 R HN 0.460 nan 8.270 nan 0.000 0.442 463 L N 0.313 121.567 121.223 0.051 0.000 2.567 463 L HA 0.105 4.445 4.340 0.000 0.000 0.225 463 L C 0.346 177.209 176.870 -0.013 0.000 1.119 463 L CA 0.236 55.127 54.840 0.085 0.000 0.871 463 L CB 0.105 42.253 42.059 0.147 0.000 1.036 463 L HN 0.105 nan 8.230 nan 0.000 0.459 464 K N -0.044 120.304 120.400 -0.087 0.000 3.071 464 K HA -0.183 4.137 4.320 0.000 0.000 0.265 464 K C 0.361 176.685 176.600 -0.460 0.000 1.060 464 K CA 0.346 56.547 56.287 -0.143 0.000 0.767 464 K CB -1.730 30.763 32.500 -0.013 0.000 1.241 464 K HN 0.347 nan 8.250 nan 0.000 0.486 465 A N 1.477 123.876 122.820 -0.702 0.000 2.524 465 A HA 0.072 4.392 4.320 0.000 0.000 0.250 465 A C 0.585 177.559 177.584 -1.017 0.000 1.078 465 A CA 0.079 51.243 52.037 -1.456 0.000 0.761 465 A CB 0.122 18.651 19.000 -0.786 0.000 1.012 465 A HN 0.374 nan 8.150 nan 0.000 0.500 466 N N 2.431 120.352 118.700 -1.298 0.000 3.245 466 N HA 0.305 5.045 4.740 0.000 0.000 0.296 466 N C -0.996 174.367 175.510 -0.246 0.000 1.254 466 N CA 0.161 52.958 53.050 -0.423 0.000 1.190 466 N CB -0.158 38.329 38.487 -0.000 0.000 1.460 466 N HN 0.292 nan 8.380 nan 0.000 0.538 467 V N 2.155 121.937 119.914 -0.219 0.000 2.555 467 V HA 0.431 4.551 4.120 0.000 0.000 0.302 467 V C -0.457 175.639 176.094 0.004 0.000 1.038 467 V CA -1.060 61.206 62.300 -0.056 0.000 0.887 467 V CB 1.753 33.553 31.823 -0.038 0.000 0.991 467 V HN 0.239 nan 8.190 nan 0.000 0.434 468 L N 4.630 125.877 121.223 0.040 0.000 2.298 468 L HA 0.603 4.943 4.340 0.000 0.000 0.284 468 L C -0.681 176.228 176.870 0.064 0.000 1.013 468 L CA -0.138 54.728 54.840 0.043 0.000 0.824 468 L CB 0.990 43.052 42.059 0.005 0.000 1.221 468 L HN 0.764 nan 8.230 nan 0.000 0.418 469 H N 4.694 123.765 119.070 0.002 0.000 2.488 469 H HA 0.633 5.189 4.556 0.000 0.000 0.322 469 H C -1.249 174.039 175.328 -0.067 0.000 1.078 469 H CA -0.378 55.664 56.048 -0.009 0.000 1.260 469 H CB 1.029 30.813 29.762 0.037 0.000 1.425 469 H HN 0.691 nan 8.280 nan 0.000 0.471 470 L N 6.786 127.702 121.223 -0.512 0.000 2.307 470 L HA 0.416 4.756 4.340 0.000 0.000 0.284 470 L C -0.484 176.135 176.870 -0.418 0.000 1.023 470 L CA -0.704 53.939 54.840 -0.328 0.000 0.810 470 L CB 1.619 43.580 42.059 -0.163 0.000 1.231 470 L HN 0.598 nan 8.230 nan 0.000 0.423 471 I N 1.414 121.795 120.570 -0.316 0.000 2.382 471 I HA 0.220 4.390 4.170 0.000 0.000 0.286 471 I C -1.015 175.007 176.117 -0.159 0.000 1.002 471 I CA -0.414 60.671 61.300 -0.359 0.000 1.135 471 I CB 1.385 38.935 38.000 -0.750 0.000 1.288 471 I HN 0.481 nan 8.210 nan 0.000 0.448 472 W N 6.367 127.431 121.300 -0.393 0.000 2.388 472 W HA 0.379 5.039 4.660 -0.000 0.000 0.308 472 W C -0.322 176.064 176.519 -0.221 0.000 1.263 472 W CA -0.530 56.649 57.345 -0.276 0.000 1.286 472 W CB 0.764 30.125 29.460 -0.165 0.000 1.294 472 W HN 0.073 nan 8.180 nan 0.000 0.493 473 V N 5.612 125.489 119.914 -0.061 0.000 2.350 473 V HA 0.164 4.284 4.120 0.000 0.000 0.276 473 V C 0.500 176.562 176.094 -0.053 0.000 1.028 473 V CA -0.450 61.837 62.300 -0.021 0.000 0.860 473 V CB 1.346 33.174 31.823 0.007 0.000 0.990 473 V HN 0.639 nan 8.190 nan 0.000 0.453 474 D N 2.902 123.316 120.400 0.024 0.000 2.514 474 D HA 0.005 4.645 4.640 0.000 0.000 0.225 474 D C 0.342 176.615 176.300 -0.044 0.000 1.159 474 D CA -0.202 53.782 54.000 -0.026 0.000 0.823 474 D CB 0.176 41.024 40.800 0.080 0.000 1.097 474 D HN 0.467 nan 8.370 nan 0.000 0.519 475 N N 0.415 119.113 118.700 -0.003 0.000 2.783 475 N HA -0.076 4.664 4.740 0.000 0.000 0.247 475 N C 0.167 175.122 175.510 -0.925 0.000 1.089 475 N CA 1.397 54.368 53.050 -0.130 0.000 0.690 475 N CB -1.380 37.079 38.487 -0.047 0.000 0.991 475 N HN 0.691 nan 8.380 nan 0.000 0.552 476 G N -1.381 106.756 108.800 -1.106 0.000 2.349 476 G HA2 0.418 4.378 3.960 0.000 0.000 0.294 476 G HA3 0.418 4.378 3.960 0.000 0.000 0.294 476 G C -1.570 173.024 174.900 -0.510 0.000 1.380 476 G CA -0.959 43.331 45.100 -1.350 0.000 0.811 476 G HN 0.088 nan 8.290 nan 0.000 0.519 477 Y N 2.245 122.471 120.300 -0.123 0.000 2.724 477 Y HA 0.211 4.761 4.550 0.000 0.000 0.332 477 Y C 1.901 177.809 175.900 0.013 0.000 1.276 477 Y CA -0.560 57.580 58.100 0.065 0.000 1.597 477 Y CB 0.576 39.097 38.460 0.101 0.000 1.584 477 Y HN 0.633 nan 8.280 nan 0.000 0.478 478 N N 2.330 121.124 118.700 0.157 0.000 2.069 478 N HA -0.245 4.495 4.740 0.000 0.000 0.191 478 N C 1.979 177.460 175.510 -0.049 0.000 1.031 478 N CA 1.467 54.539 53.050 0.037 0.000 0.852 478 N CB 0.068 38.536 38.487 -0.031 0.000 1.018 478 N HN 0.690 nan 8.380 nan 0.000 0.423 479 M N 0.671 120.236 119.600 -0.058 0.000 2.202 479 M HA -0.137 4.343 4.480 0.000 0.000 0.262 479 M C 1.636 177.892 176.300 -0.073 0.000 1.063 479 M CA 1.319 56.549 55.300 -0.117 0.000 1.097 479 M CB 0.198 32.705 32.600 -0.155 0.000 1.382 479 M HN -0.014 nan 8.290 nan 0.000 0.413 480 V N 0.075 119.983 119.914 -0.010 0.000 2.535 480 V HA -0.063 4.057 4.120 0.000 0.000 0.246 480 V C 2.603 178.710 176.094 0.021 0.000 1.045 480 V CA 1.358 63.658 62.300 0.000 0.000 1.058 480 V CB -1.266 30.572 31.823 0.025 0.000 0.689 480 V HN 0.599 nan 8.190 nan 0.000 0.461 481 A N 1.481 124.324 122.820 0.039 0.000 1.908 481 A HA -0.196 4.124 4.320 0.000 0.000 0.218 481 A C 2.154 179.739 177.584 0.003 0.000 1.181 481 A CA 2.140 54.197 52.037 0.034 0.000 0.627 481 A CB -0.620 18.399 19.000 0.031 0.000 0.818 481 A HN 0.687 nan 8.150 nan 0.000 0.445 482 I N -2.930 117.622 120.570 -0.031 0.000 2.493 482 I HA -0.233 3.937 4.170 0.000 0.000 0.254 482 I C 2.074 178.152 176.117 -0.065 0.000 1.160 482 I CA 1.639 62.911 61.300 -0.047 0.000 1.445 482 I CB -0.628 37.328 38.000 -0.073 0.000 1.086 482 I HN 0.335 nan 8.210 nan 0.000 0.433 483 Q N 1.465 121.222 119.800 -0.071 0.000 2.137 483 Q HA -0.104 4.236 4.340 0.000 0.000 0.198 483 Q C 2.011 177.926 176.000 -0.143 0.000 0.960 483 Q CA 1.357 57.099 55.803 -0.103 0.000 0.847 483 Q CB -0.071 28.613 28.738 -0.090 0.000 0.915 483 Q HN 0.657 nan 8.270 nan 0.000 0.448 484 E N 1.223 121.389 120.200 -0.057 0.000 2.047 484 E HA -0.203 4.147 4.350 0.000 0.000 0.191 484 E C 1.898 178.468 176.600 -0.050 0.000 0.987 484 E CA 0.794 57.197 56.400 0.003 0.000 0.799 484 E CB -0.001 29.809 29.700 0.183 0.000 0.752 484 E HN 0.338 nan 8.360 nan 0.000 0.449 485 E N 1.470 121.660 120.200 -0.018 0.000 2.085 485 E HA -0.241 4.109 4.350 0.000 0.000 0.194 485 E C 2.114 178.677 176.600 -0.062 0.000 0.994 485 E CA 1.103 57.496 56.400 -0.011 0.000 0.801 485 E CB 0.078 29.778 29.700 -0.001 0.000 0.743 485 E HN 0.012 nan 8.360 nan 0.000 0.453 486 K N 0.244 120.581 120.400 -0.105 0.000 2.148 486 K HA -0.133 4.187 4.320 0.000 0.000 0.204 486 K C 1.785 178.273 176.600 -0.186 0.000 1.050 486 K CA 1.139 57.356 56.287 -0.118 0.000 0.942 486 K CB 0.169 32.603 32.500 -0.111 0.000 0.724 486 K HN 0.020 nan 8.250 nan 0.000 0.446 487 K N -1.221 118.960 120.400 -0.364 0.000 2.244 487 K HA -0.006 4.314 4.320 0.000 0.000 0.200 487 K C 1.171 177.475 176.600 -0.492 0.000 1.052 487 K CA 0.782 56.727 56.287 -0.569 0.000 0.980 487 K CB 0.339 32.218 32.500 -1.034 0.000 0.838 487 K HN 0.204 nan 8.250 nan 0.000 0.481 488 Y N 0.051 120.349 120.300 -0.003 0.000 2.432 488 Y HA 0.184 4.734 4.550 0.000 0.000 0.252 488 Y C -0.049 175.852 175.900 0.002 0.000 1.097 488 Y CA -0.650 57.450 58.100 -0.000 0.000 1.250 488 Y CB 0.644 39.104 38.460 -0.000 0.000 1.245 488 Y HN -0.076 nan 8.280 nan 0.000 0.522 489 Q N 1.144 120.999 119.800 0.091 0.000 2.494 489 Q HA -0.230 4.110 4.340 0.000 0.000 0.266 489 Q C -0.440 175.607 176.000 0.078 0.000 1.053 489 Q CA 1.055 56.896 55.803 0.063 0.000 1.029 489 Q CB -1.408 27.360 28.738 0.049 0.000 1.423 489 Q HN 0.704 nan 8.270 nan 0.000 0.516 490 R N -1.390 119.177 120.500 0.112 0.000 2.663 490 R HA 0.729 5.069 4.340 0.000 0.000 0.267 490 R C -1.357 175.006 176.300 0.104 0.000 1.038 490 R CA -1.116 55.037 56.100 0.089 0.000 0.886 490 R CB 1.194 31.538 30.300 0.074 0.000 1.249 490 R HN 0.011 nan 8.270 nan 0.000 0.463 491 L N 1.401 122.666 121.223 0.070 0.000 2.334 491 L HA 0.680 5.020 4.340 0.000 0.000 0.275 491 L C -0.379 176.524 176.870 0.056 0.000 1.036 491 L CA -0.986 53.895 54.840 0.069 0.000 0.807 491 L CB 2.103 44.190 42.059 0.046 0.000 1.231 491 L HN 0.966 nan 8.230 nan 0.000 0.438 492 S N -0.592 115.148 115.700 0.066 0.000 2.689 492 S HA 0.578 5.048 4.470 0.000 0.000 0.274 492 S C 0.201 174.848 174.600 0.078 0.000 1.176 492 S CA -0.152 58.080 58.200 0.053 0.000 1.014 492 S CB 1.546 64.761 63.200 0.025 0.000 1.071 492 S HN 1.132 nan 8.310 nan 0.000 0.478 493 G N 1.375 110.226 108.800 0.086 0.000 2.179 493 G HA2 -0.255 3.705 3.960 0.000 0.000 0.257 493 G HA3 -0.255 3.705 3.960 0.000 0.000 0.257 493 G C 0.459 175.490 174.900 0.219 0.000 1.010 493 G CA 0.605 45.787 45.100 0.136 0.000 0.736 493 G HN 2.058 nan 8.290 nan 0.000 0.513 494 V N -3.697 116.304 119.914 0.145 0.000 3.380 494 V HA 0.562 4.682 4.120 0.000 0.000 0.307 494 V C 0.373 176.388 176.094 -0.131 0.000 1.434 494 V CA 0.355 62.739 62.300 0.140 0.000 1.075 494 V CB 0.281 32.178 31.823 0.124 0.000 0.954 494 V HN 0.338 nan 8.190 nan 0.000 0.444 495 E N 1.402 121.525 120.200 -0.127 0.000 2.187 495 E HA 0.716 5.066 4.350 0.000 0.000 0.268 495 E C -1.149 175.353 176.600 -0.164 0.000 0.896 495 E CA -0.647 55.595 56.400 -0.263 0.000 0.766 495 E CB 2.311 31.938 29.700 -0.121 0.000 1.142 495 E HN 0.482 nan 8.360 nan 0.000 0.408 496 F N -0.543 119.350 119.950 -0.095 0.000 2.790 496 F HA 0.790 5.317 4.527 -0.000 0.000 0.337 496 F C 0.368 176.137 175.800 -0.051 0.000 1.163 496 F CA -1.375 56.578 58.000 -0.080 0.000 0.997 496 F CB 0.026 38.950 39.000 -0.127 0.000 1.437 496 F HN 0.395 nan 8.300 nan 0.000 0.512 497 G N 0.090 109.084 108.800 0.324 0.000 2.562 497 G HA2 0.592 4.552 3.960 0.000 0.000 0.275 497 G HA3 0.592 4.552 3.960 0.000 0.000 0.275 497 G C -2.785 172.227 174.900 0.187 0.000 1.196 497 G CA -1.531 43.674 45.100 0.174 0.000 0.908 497 G HN 0.625 nan 8.290 nan 0.000 0.524 498 P HA 0.421 nan 4.420 nan 0.000 0.278 498 P C -0.781 176.466 177.300 -0.089 0.000 1.266 498 P CA -0.269 62.851 63.100 0.034 0.000 0.807 498 P CB 1.503 33.214 31.700 0.018 0.000 1.094 499 M N 0.037 119.485 119.600 -0.253 0.000 2.569 499 M HA 0.223 4.703 4.480 0.000 0.000 0.279 499 M C -0.780 175.229 176.300 -0.485 0.000 1.253 499 M CA -0.643 54.374 55.300 -0.472 0.000 0.867 499 M CB 2.476 34.534 32.600 -0.903 0.000 1.727 499 M HN 0.210 nan 8.290 nan 0.000 0.467 500 D N 1.273 121.493 120.400 -0.299 0.000 2.494 500 D HA 0.250 4.890 4.640 0.000 0.000 0.217 500 D C 0.123 176.377 176.300 -0.077 0.000 1.153 500 D CA 0.050 53.977 54.000 -0.122 0.000 0.954 500 D CB 0.141 40.926 40.800 -0.025 0.000 1.034 500 D HN 0.417 nan 8.370 nan 0.000 0.518 501 F N 1.876 121.873 119.950 0.077 0.000 2.293 501 F HA -0.073 4.454 4.527 0.000 0.000 0.300 501 F C 2.488 178.381 175.800 0.155 0.000 1.086 501 F CA 0.601 58.657 58.000 0.095 0.000 1.375 501 F CB 0.131 39.096 39.000 -0.058 0.000 1.045 501 F HN 0.297 nan 8.300 nan 0.000 0.516 502 K N 0.924 121.478 120.400 0.257 0.000 2.002 502 K HA -0.166 4.154 4.320 0.000 0.000 0.209 502 K C 2.294 178.984 176.600 0.150 0.000 1.048 502 K CA 1.321 57.707 56.287 0.165 0.000 0.930 502 K CB -0.337 32.215 32.500 0.088 0.000 0.714 502 K HN 0.183 nan 8.250 nan 0.000 0.438 503 A N 0.358 123.257 122.820 0.131 0.000 1.933 503 A HA -0.186 4.134 4.320 0.000 0.000 0.218 503 A C 2.061 179.745 177.584 0.167 0.000 1.175 503 A CA 1.364 53.462 52.037 0.103 0.000 0.628 503 A CB -0.900 18.139 19.000 0.064 0.000 0.814 503 A HN 0.598 nan 8.150 nan 0.000 0.444 504 Y N 0.658 121.037 120.300 0.131 0.000 2.097 504 Y HA -0.186 4.364 4.550 0.000 0.000 0.282 504 Y C 2.687 178.817 175.900 0.385 0.000 1.152 504 Y CA 1.757 59.998 58.100 0.233 0.000 1.136 504 Y CB -0.502 38.135 38.460 0.295 0.000 0.975 504 Y HN 0.312 nan 8.280 nan 0.000 0.498 505 A N 0.290 123.416 122.820 0.511 0.000 1.902 505 A HA -0.202 4.118 4.320 0.000 0.000 0.217 505 A C 2.015 179.768 177.584 0.281 0.000 1.181 505 A CA 1.895 54.170 52.037 0.397 0.000 0.623 505 A CB -0.738 18.444 19.000 0.302 0.000 0.818 505 A HN 0.663 nan 8.150 nan 0.000 0.443 506 E N 0.430 120.730 120.200 0.168 0.000 2.338 506 E HA -0.117 4.233 4.350 0.000 0.000 0.197 506 E C 2.075 178.713 176.600 0.063 0.000 1.007 506 E CA 1.011 57.463 56.400 0.086 0.000 0.849 506 E CB -0.200 29.514 29.700 0.023 0.000 0.774 506 E HN 0.792 nan 8.360 nan 0.000 0.506 507 S N 0.059 115.783 115.700 0.040 0.000 2.481 507 S HA -0.078 4.392 4.470 0.000 0.000 0.231 507 S C 1.538 176.037 174.600 -0.169 0.000 0.996 507 S CA 0.449 58.585 58.200 -0.108 0.000 0.942 507 S CB -0.270 62.789 63.200 -0.235 0.000 0.768 507 S HN 0.149 nan 8.310 nan 0.000 0.520 508 F N 1.704 121.595 119.950 -0.100 0.000 2.664 508 F HA 0.395 4.922 4.527 0.000 0.000 0.296 508 F C 2.128 177.904 175.800 -0.040 0.000 1.125 508 F CA 0.374 58.328 58.000 -0.075 0.000 1.444 508 F CB -0.041 38.922 39.000 -0.062 0.000 1.114 508 F HN 0.431 nan 8.300 nan 0.000 0.576 509 G N -0.037 108.851 108.800 0.146 0.000 2.163 509 G HA2 -0.042 3.918 3.960 0.000 0.000 0.213 509 G HA3 -0.042 3.918 3.960 0.000 0.000 0.213 509 G C 0.209 175.155 174.900 0.077 0.000 0.991 509 G CA -0.242 44.906 45.100 0.080 0.000 0.653 509 G HN 0.575 nan 8.290 nan 0.000 0.518 510 A N 0.001 122.885 122.820 0.107 0.000 2.264 510 A HA 0.754 5.074 4.320 0.000 0.000 0.304 510 A C 0.382 178.000 177.584 0.057 0.000 1.100 510 A CA -0.433 51.648 52.037 0.073 0.000 0.839 510 A CB 0.699 19.739 19.000 0.067 0.000 1.121 510 A HN 0.119 nan 8.150 nan 0.000 0.496 511 K N 0.795 121.228 120.400 0.056 0.000 2.297 511 K HA 0.408 4.728 4.320 0.000 0.000 0.286 511 K C 0.193 176.794 176.600 0.002 0.000 1.053 511 K CA 0.243 56.529 56.287 -0.002 0.000 0.940 511 K CB 1.001 33.556 32.500 0.090 0.000 1.019 511 K HN 0.792 nan 8.250 nan 0.000 0.475 512 G N 2.403 111.095 108.800 -0.181 0.000 2.416 512 G HA2 0.720 4.680 3.960 0.000 0.000 0.329 512 G HA3 0.720 4.680 3.960 0.000 0.000 0.329 512 G C -1.218 173.475 174.900 -0.344 0.000 1.173 512 G CA -0.449 44.605 45.100 -0.076 0.000 0.929 512 G HN 0.317 nan 8.290 nan 0.000 0.475 513 F N 0.019 119.996 119.950 0.045 0.000 2.599 513 F HA 0.740 5.267 4.527 0.000 0.000 0.311 513 F C 0.205 176.023 175.800 0.029 0.000 1.076 513 F CA -0.981 57.035 58.000 0.027 0.000 0.937 513 F CB 2.863 41.865 39.000 0.004 0.000 1.282 513 F HN 0.680 nan 8.300 nan 0.000 0.460 514 A N 1.614 124.564 122.820 0.217 0.000 2.385 514 A HA 0.692 5.012 4.320 0.000 0.000 0.290 514 A C -1.496 176.162 177.584 0.123 0.000 1.094 514 A CA -0.695 51.430 52.037 0.147 0.000 0.729 514 A CB 0.834 19.911 19.000 0.128 0.000 1.194 514 A HN 0.521 nan 8.150 nan 0.000 0.442 515 V N 3.150 123.124 119.914 0.100 0.000 2.439 515 V HA 0.102 4.222 4.120 0.000 0.000 0.271 515 V C 0.840 177.027 176.094 0.155 0.000 1.040 515 V CA 0.492 62.843 62.300 0.086 0.000 1.002 515 V CB 0.517 32.370 31.823 0.049 0.000 1.000 515 V HN 1.023 nan 8.190 nan 0.000 0.477 516 E N 2.662 122.856 120.200 -0.010 0.000 2.481 516 E HA 0.160 4.510 4.350 0.000 0.000 0.198 516 E C 0.408 176.406 176.600 -1.003 0.000 1.027 516 E CA 0.209 56.469 56.400 -0.233 0.000 0.900 516 E CB 0.673 30.272 29.700 -0.168 0.000 0.993 516 E HN 0.818 nan 8.360 nan 0.000 0.482 517 S N -1.792 113.519 115.700 -0.648 0.000 2.595 517 S HA 0.531 5.001 4.470 0.000 0.000 0.270 517 S C 0.532 175.050 174.600 -0.137 0.000 1.145 517 S CA -0.425 57.377 58.200 -0.664 0.000 0.825 517 S CB 1.211 64.146 63.200 -0.442 0.000 1.107 517 S HN -0.047 nan 8.310 nan 0.000 0.461 518 A N 1.213 124.021 122.820 -0.020 0.000 1.858 518 A HA -0.019 4.301 4.320 0.000 0.000 0.216 518 A C 1.748 179.302 177.584 -0.050 0.000 1.190 518 A CA 2.135 54.176 52.037 0.006 0.000 0.617 518 A CB -1.431 17.575 19.000 0.011 0.000 0.827 518 A HN 0.919 nan 8.150 nan 0.000 0.443 519 E N 0.131 120.290 120.200 -0.069 0.000 2.233 519 E HA -0.128 4.222 4.350 0.000 0.000 0.199 519 E C 1.896 178.455 176.600 -0.069 0.000 1.004 519 E CA 1.362 57.721 56.400 -0.068 0.000 0.819 519 E CB -0.454 29.203 29.700 -0.071 0.000 0.738 519 E HN 0.620 nan 8.360 nan 0.000 0.478 520 A N -0.096 122.677 122.820 -0.077 0.000 2.169 520 A HA 0.056 4.376 4.320 0.000 0.000 0.212 520 A C 1.856 179.401 177.584 -0.064 0.000 1.153 520 A CA 0.143 52.141 52.037 -0.065 0.000 0.756 520 A CB -0.267 18.694 19.000 -0.066 0.000 0.813 520 A HN 0.225 nan 8.150 nan 0.000 0.471 521 L N 0.490 121.671 121.223 -0.070 0.000 1.943 521 L HA -0.183 4.157 4.340 0.000 0.000 0.215 521 L C 2.162 178.970 176.870 -0.103 0.000 1.074 521 L CA 2.714 57.500 54.840 -0.090 0.000 0.759 521 L CB -0.861 41.136 42.059 -0.104 0.000 0.888 521 L HN 0.388 nan 8.230 nan 0.000 0.433 522 E N -0.195 119.950 120.200 -0.093 0.000 2.049 522 E HA -0.197 4.153 4.350 0.000 0.000 0.198 522 E C -0.151 176.394 176.600 -0.092 0.000 1.007 522 E CA 2.200 58.546 56.400 -0.090 0.000 0.809 522 E CB -1.857 27.798 29.700 -0.076 0.000 0.749 522 E HN 0.465 nan 8.360 nan 0.000 0.450 523 P HA -0.119 nan 4.420 nan 0.000 0.216 523 P C 1.123 178.360 177.300 -0.106 0.000 1.150 523 P CA 1.651 64.707 63.100 -0.072 0.000 0.837 523 P CB -0.020 31.650 31.700 -0.049 0.000 0.786 524 T N -0.234 114.243 114.554 -0.130 0.000 2.737 524 T HA -0.067 4.283 4.350 0.000 0.000 0.265 524 T C 1.765 176.234 174.700 -0.385 0.000 1.038 524 T CA 1.029 62.989 62.100 -0.233 0.000 1.144 524 T CB -0.950 67.825 68.868 -0.154 0.000 0.866 524 T HN 0.048 nan 8.240 nan 0.000 0.434 525 L N 0.521 121.588 121.223 -0.260 0.000 2.079 525 L HA -0.107 4.233 4.340 0.000 0.000 0.210 525 L C 2.866 179.610 176.870 -0.210 0.000 1.081 525 L CA 1.182 55.879 54.840 -0.239 0.000 0.752 525 L CB -0.458 41.510 42.059 -0.152 0.000 0.896 525 L HN 0.120 nan 8.230 nan 0.000 0.433 526 R N 0.676 121.078 120.500 -0.163 0.000 2.066 526 R HA -0.100 4.240 4.340 0.000 0.000 0.232 526 R C 2.249 178.474 176.300 -0.125 0.000 1.131 526 R CA 1.720 57.752 56.100 -0.113 0.000 0.955 526 R CB -0.659 29.593 30.300 -0.079 0.000 0.851 526 R HN 0.304 nan 8.270 nan 0.000 0.432 527 A N -0.073 122.645 122.820 -0.171 0.000 1.969 527 A HA 0.019 4.339 4.320 0.000 0.000 0.218 527 A C 2.295 179.755 177.584 -0.206 0.000 1.169 527 A CA 1.621 53.578 52.037 -0.132 0.000 0.635 527 A CB -0.855 18.104 19.000 -0.070 0.000 0.810 527 A HN 0.456 nan 8.150 nan 0.000 0.445 528 A N -1.029 121.497 122.820 -0.490 0.000 1.898 528 A HA -0.048 4.272 4.320 0.000 0.000 0.216 528 A C 2.154 179.658 177.584 -0.133 0.000 1.181 528 A CA 1.753 53.531 52.037 -0.432 0.000 0.620 528 A CB -0.449 18.184 19.000 -0.611 0.000 0.819 528 A HN 0.388 nan 8.150 nan 0.000 0.442 529 M N 0.260 119.787 119.600 -0.122 0.000 2.159 529 M HA -0.127 4.353 4.480 0.000 0.000 0.263 529 M C 0.859 177.152 176.300 -0.011 0.000 1.063 529 M CA 1.388 56.659 55.300 -0.047 0.000 1.110 529 M CB -1.265 31.310 32.600 -0.042 0.000 1.374 529 M HN 0.331 nan 8.290 nan 0.000 0.411 530 D N -0.015 120.376 120.400 -0.014 0.000 2.363 530 D HA 0.018 4.658 4.640 0.000 0.000 0.220 530 D C 0.301 176.623 176.300 0.037 0.000 0.994 530 D CA 0.183 54.191 54.000 0.014 0.000 0.890 530 D CB 0.141 40.947 40.800 0.011 0.000 0.906 530 D HN 0.108 nan 8.370 nan 0.000 0.530 531 V N 1.754 121.697 119.914 0.049 0.000 2.508 531 V HA -0.034 4.086 4.120 0.000 0.000 0.281 531 V C 0.411 176.537 176.094 0.054 0.000 1.041 531 V CA -0.419 61.926 62.300 0.075 0.000 1.016 531 V CB 1.279 33.179 31.823 0.128 0.000 0.984 531 V HN -0.065 nan 8.190 nan 0.000 0.478 532 D N 4.178 124.609 120.400 0.051 0.000 2.435 532 D HA 0.525 5.165 4.640 0.000 0.000 0.230 532 D C 0.360 176.673 176.300 0.022 0.000 1.215 532 D CA 1.409 55.435 54.000 0.044 0.000 0.947 532 D CB 0.137 40.969 40.800 0.053 0.000 1.048 532 D HN 0.902 nan 8.370 nan 0.000 0.512 533 G N 3.136 111.928 108.800 -0.014 0.000 2.359 533 G HA2 0.015 3.975 3.960 0.000 0.000 0.303 533 G HA3 0.015 3.975 3.960 0.000 0.000 0.303 533 G C -3.031 171.829 174.900 -0.066 0.000 1.293 533 G CA -1.118 43.944 45.100 -0.062 0.000 0.964 533 G HN 0.260 nan 8.290 nan 0.000 0.531 534 P HA 0.518 nan 4.420 nan 0.000 0.271 534 P C -0.275 177.049 177.300 0.040 0.000 1.216 534 P CA 0.635 63.710 63.100 -0.042 0.000 0.776 534 P CB 1.433 33.099 31.700 -0.056 0.000 0.881 535 A N 2.406 125.273 122.820 0.078 0.000 2.520 535 A HA 0.658 4.978 4.320 0.000 0.000 0.298 535 A C -1.437 176.248 177.584 0.169 0.000 1.051 535 A CA -0.561 51.577 52.037 0.168 0.000 0.690 535 A CB 1.345 20.470 19.000 0.208 0.000 1.281 535 A HN 0.280 nan 8.150 nan 0.000 0.402 536 V N 1.773 121.820 119.914 0.222 0.000 2.531 536 V HA 0.556 4.676 4.120 0.000 0.000 0.301 536 V C -0.683 175.524 176.094 0.189 0.000 1.034 536 V CA -0.566 61.835 62.300 0.168 0.000 0.865 536 V CB 1.663 33.575 31.823 0.147 0.000 0.995 536 V HN 0.716 nan 8.190 nan 0.000 0.424 537 V N 3.870 123.820 119.914 0.060 0.000 2.409 537 V HA 0.740 4.860 4.120 0.000 0.000 0.291 537 V C 0.417 176.461 176.094 -0.083 0.000 1.020 537 V CA -0.581 61.742 62.300 0.038 0.000 0.848 537 V CB 1.738 33.524 31.823 -0.061 0.000 0.990 537 V HN 0.987 nan 8.190 nan 0.000 0.430 538 A N 6.685 129.479 122.820 -0.043 0.000 2.289 538 A HA 0.844 5.164 4.320 0.000 0.000 0.298 538 A C -0.462 177.068 177.584 -0.090 0.000 1.208 538 A CA -0.272 51.693 52.037 -0.121 0.000 0.845 538 A CB 0.147 19.167 19.000 0.033 0.000 1.125 538 A HN 0.802 nan 8.150 nan 0.000 0.517 539 I N 4.076 124.540 120.570 -0.176 0.000 2.448 539 I HA 0.269 4.439 4.170 0.000 0.000 0.281 539 I C -2.582 173.377 176.117 -0.263 0.000 1.027 539 I CA -2.086 59.084 61.300 -0.216 0.000 1.111 539 I CB 2.214 39.997 38.000 -0.361 0.000 1.236 539 I HN 0.369 nan 8.210 nan 0.000 0.452 540 P HA 0.042 nan 4.420 nan 0.000 0.267 540 P C -0.632 176.393 177.300 -0.457 0.000 1.205 540 P CA 0.074 62.980 63.100 -0.323 0.000 0.765 540 P CB 1.030 32.471 31.700 -0.432 0.000 0.828 541 V N 3.222 122.860 119.914 -0.461 0.000 2.680 541 V HA 0.441 4.561 4.120 0.000 0.000 0.309 541 V C -1.014 174.763 176.094 -0.528 0.000 1.052 541 V CA -0.730 61.223 62.300 -0.578 0.000 0.908 541 V CB 2.153 33.540 31.823 -0.727 0.000 1.001 541 V HN 0.343 nan 8.190 nan 0.000 0.431 542 D N 4.146 124.270 120.400 -0.459 0.000 2.454 542 D HA 0.261 4.901 4.640 0.000 0.000 0.225 542 D C 0.038 176.215 176.300 -0.204 0.000 1.081 542 D CA 0.058 53.884 54.000 -0.290 0.000 0.864 542 D CB 0.586 41.251 40.800 -0.225 0.000 1.040 542 D HN 0.623 nan 8.370 nan 0.000 0.517 543 Y N 2.288 122.547 120.300 -0.069 0.000 2.462 543 Y HA 0.102 4.652 4.550 0.000 0.000 0.293 543 Y C 2.123 178.047 175.900 0.040 0.000 1.195 543 Y CA -0.444 57.667 58.100 0.019 0.000 1.276 543 Y CB 0.423 38.939 38.460 0.092 0.000 1.082 543 Y HN 0.245 nan 8.280 nan 0.000 0.514 544 R N 0.140 120.720 120.500 0.134 0.000 2.139 544 R HA -0.175 4.165 4.340 0.000 0.000 0.243 544 R C 0.747 177.131 176.300 0.139 0.000 1.145 544 R CA 1.554 57.719 56.100 0.108 0.000 0.976 544 R CB -0.090 30.247 30.300 0.061 0.000 0.866 544 R HN 0.345 nan 8.270 nan 0.000 0.449 545 D N -0.193 120.307 120.400 0.166 0.000 2.340 545 D HA -0.009 4.631 4.640 0.000 0.000 0.220 545 D C 0.936 177.440 176.300 0.340 0.000 1.039 545 D CA 0.201 54.352 54.000 0.252 0.000 0.866 545 D CB -0.105 40.895 40.800 0.333 0.000 0.913 545 D HN 0.101 nan 8.370 nan 0.000 0.523 546 N N 1.098 120.008 118.700 0.351 0.000 2.132 546 N HA -0.138 4.602 4.740 0.000 0.000 0.191 546 N C -1.036 174.530 175.510 0.093 0.000 1.015 546 N CA 1.020 54.238 53.050 0.281 0.000 0.864 546 N CB -1.226 37.360 38.487 0.165 0.000 1.006 546 N HN 0.287 nan 8.380 nan 0.000 0.430 547 P HA -0.082 nan 4.420 nan 0.000 0.215 547 P C 1.547 178.867 177.300 0.033 0.000 1.153 547 P CA 0.827 63.949 63.100 0.038 0.000 0.853 547 P CB -0.016 31.711 31.700 0.046 0.000 0.788 548 L N -1.815 119.454 121.223 0.077 0.000 2.187 548 L HA -0.176 4.164 4.340 0.000 0.000 0.213 548 L C 2.248 179.121 176.870 0.006 0.000 1.100 548 L CA 1.018 55.900 54.840 0.071 0.000 0.765 548 L CB -0.747 41.398 42.059 0.143 0.000 0.904 548 L HN 0.068 nan 8.230 nan 0.000 0.437 549 L N -1.066 120.114 121.223 -0.073 0.000 2.168 549 L HA -0.029 4.311 4.340 0.000 0.000 0.203 549 L C 2.346 179.135 176.870 -0.135 0.000 1.078 549 L CA 1.331 56.029 54.840 -0.237 0.000 0.780 549 L CB -0.266 41.367 42.059 -0.710 0.000 0.939 549 L HN 0.079 nan 8.230 nan 0.000 0.451 550 M N -0.300 119.235 119.600 -0.108 0.000 2.279 550 M HA -0.006 4.474 4.480 0.000 0.000 0.264 550 M C 2.095 178.373 176.300 -0.037 0.000 1.062 550 M CA 1.239 56.491 55.300 -0.079 0.000 1.099 550 M CB -2.121 30.433 32.600 -0.075 0.000 1.394 550 M HN 0.413 nan 8.290 nan 0.000 0.426 551 G N -0.311 108.477 108.800 -0.020 0.000 2.625 551 G HA2 -0.161 3.799 3.960 0.000 0.000 0.214 551 G HA3 -0.161 3.799 3.960 0.000 0.000 0.214 551 G C 1.431 176.341 174.900 0.016 0.000 1.132 551 G CA 0.171 45.270 45.100 -0.000 0.000 0.782 551 G HN 0.557 nan 8.290 nan 0.000 0.538 552 Q N -0.617 119.201 119.800 0.031 0.000 2.319 552 Q HA 0.309 4.649 4.340 0.000 0.000 0.202 552 Q C 0.427 176.506 176.000 0.130 0.000 0.896 552 Q CA -0.316 55.536 55.803 0.082 0.000 0.942 552 Q CB 0.480 29.268 28.738 0.082 0.000 1.083 552 Q HN 0.376 nan 8.270 nan 0.000 0.510 553 L N 0.354 121.600 121.223 0.038 0.000 2.418 553 L HA 0.199 4.539 4.340 0.000 0.000 0.265 553 L C 0.662 177.533 176.870 0.001 0.000 1.143 553 L CA -0.456 54.341 54.840 -0.071 0.000 0.809 553 L CB 0.522 42.508 42.059 -0.121 0.000 1.124 553 L HN 0.190 nan 8.230 nan 0.000 0.456 554 H N 0.000 119.044 119.070 -0.044 0.000 2.539 554 H HA 0.000 4.556 4.556 0.000 0.000 0.296 554 H CA 0.000 56.049 56.048 0.002 0.000 1.023 554 H CB 0.000 29.780 29.762 0.031 0.000 1.292 554 H HN 0.000 nan 8.280 nan 0.000 0.496