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 3qbp_1_C DATA FIRST_RESID 31 DATA SEQUENCE ALWRAQTQRA VENFPISGRG LERAQIRALG LLKGACAQVN MDLGLLAPEK DATA SEQUENCE AEAIIAAAAE IADGQHDDQF PIDVFQTGSG TSSNMNTNEV IASIAGANGV DATA SEQUENCE AVHPNDDVNM SQSSNDTFPT ATHIAATEAA VSHLIPALEI LQDALATKAL DATA SEQUENCE EWQSVVKSGR THLMDAVPVT LGQEFSGYAR QIEAGIERVR ATLPRLGELA DATA SEQUENCE IGGTAVGTGL NAPEGFGVKV VSVLVSQTGL PQLRTAANSF EAQAARDGLV DATA SEQUENCE EASGALRTIA VSLTKIANDI RWMGSGPLTG LAEIQLPDLX XXXXIMPGKV DATA SEQUENCE NPVLPEAVTQ VAAQVIGNDA AVAWGGANGA FELNVYIPMM ARNILESFTL DATA SEQUENCE LTNVSKLFAQ RCIAGLTANA EHLRELAESS PSIVTPLNSA IGYEEAAAVA DATA SEQUENCE KQALKERKTI RQTVIDRGLI GDKLSLEELD RRLDVLAMAK VE 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 31 A HA 0.000 nan 4.320 nan 0.000 0.244 31 A C 0.000 177.266 177.584 -0.531 0.000 1.274 31 A CA 0.000 51.745 52.037 -0.486 0.000 0.836 31 A CB 0.000 18.727 19.000 -0.455 0.000 0.831 32 L N -0.114 120.842 121.223 -0.444 0.000 2.609 32 L HA 0.243 4.506 4.340 -0.129 0.000 0.230 32 L C 1.330 178.099 176.870 -0.168 0.000 1.087 32 L CA -0.145 54.547 54.840 -0.247 0.000 0.874 32 L CB -0.104 41.868 42.059 -0.144 0.000 1.114 32 L HN 0.838 nan 8.230 nan 0.000 0.488 33 W N 0.670 121.899 121.300 -0.118 0.000 2.049 33 W HA 0.471 5.054 4.660 -0.129 0.000 0.356 33 W C 0.521 176.998 176.519 -0.070 0.000 1.323 33 W CA -0.587 56.686 57.345 -0.119 0.000 1.336 33 W CB 0.275 29.653 29.460 -0.136 0.000 1.176 33 W HN -0.273 nan 8.180 nan 0.000 0.623 34 R N 0.234 120.873 120.500 0.233 0.000 3.415 34 R HA 0.528 4.791 4.340 -0.129 0.000 0.229 34 R C 1.539 177.951 176.300 0.186 0.000 1.651 34 R CA -0.222 55.950 56.100 0.120 0.000 0.998 34 R CB -0.202 30.128 30.300 0.050 0.000 1.805 34 R HN 0.658 nan 8.270 nan 0.000 0.534 35 A N 0.891 123.770 122.820 0.099 0.000 1.978 35 A HA -0.200 4.042 4.320 -0.129 0.000 0.220 35 A C 1.942 179.571 177.584 0.076 0.000 1.170 35 A CA 1.694 53.779 52.037 0.082 0.000 0.636 35 A CB -0.412 18.613 19.000 0.042 0.000 0.810 35 A HN 0.562 nan 8.150 nan 0.000 0.448 36 Q N -1.230 118.612 119.800 0.069 0.000 2.049 36 Q HA -0.102 4.160 4.340 -0.129 0.000 0.198 36 Q C 2.204 178.225 176.000 0.035 0.000 0.971 36 Q CA 1.797 57.627 55.803 0.044 0.000 0.833 36 Q CB -0.395 28.366 28.738 0.039 0.000 0.896 36 Q HN 0.651 nan 8.270 nan 0.000 0.434 37 T N 0.987 115.569 114.554 0.047 0.000 2.746 37 T HA -0.195 4.078 4.350 -0.129 0.000 0.267 37 T C 1.770 176.403 174.700 -0.112 0.000 1.039 37 T CA 1.443 63.504 62.100 -0.065 0.000 1.142 37 T CB -0.179 68.611 68.868 -0.129 0.000 0.866 37 T HN 0.139 nan 8.240 nan 0.000 0.444 38 Q N 1.160 121.011 119.800 0.085 0.000 2.096 38 Q HA -0.081 4.182 4.340 -0.129 0.000 0.204 38 Q C 2.315 178.325 176.000 0.017 0.000 0.982 38 Q CA 1.638 57.513 55.803 0.121 0.000 0.850 38 Q CB -0.272 28.609 28.738 0.238 0.000 0.901 38 Q HN 0.235 nan 8.270 nan 0.000 0.422 39 R N -0.357 120.144 120.500 0.002 0.000 2.081 39 R HA -0.007 4.256 4.340 -0.129 0.000 0.235 39 R C 1.981 178.214 176.300 -0.111 0.000 1.131 39 R CA 1.596 57.668 56.100 -0.047 0.000 0.960 39 R CB -0.811 29.468 30.300 -0.036 0.000 0.856 39 R HN 0.333 nan 8.270 nan 0.000 0.436 40 A N -0.520 122.256 122.820 -0.072 0.000 1.930 40 A HA -0.072 4.170 4.320 -0.129 0.000 0.217 40 A C 2.269 179.829 177.584 -0.040 0.000 1.175 40 A CA 1.523 53.539 52.037 -0.035 0.000 0.627 40 A CB -0.583 18.489 19.000 0.119 0.000 0.815 40 A HN 0.172 nan 8.150 nan 0.000 0.443 41 V N 0.243 120.108 119.914 -0.082 0.000 2.332 41 V HA -0.295 3.747 4.120 -0.129 0.000 0.248 41 V C 2.554 178.607 176.094 -0.069 0.000 1.055 41 V CA 2.404 64.656 62.300 -0.081 0.000 1.038 41 V CB -0.650 31.097 31.823 -0.126 0.000 0.651 41 V HN 0.816 nan 8.190 nan 0.000 0.450 42 E N -0.042 120.100 120.200 -0.096 0.000 2.107 42 E HA -0.216 4.056 4.350 -0.129 0.000 0.191 42 E C 1.996 178.482 176.600 -0.190 0.000 0.982 42 E CA 1.196 57.532 56.400 -0.105 0.000 0.809 42 E CB -0.051 29.597 29.700 -0.086 0.000 0.756 42 E HN 0.575 nan 8.360 nan 0.000 0.459 43 N N -0.274 118.205 118.700 -0.368 0.000 2.250 43 N HA -0.074 4.588 4.740 -0.129 0.000 0.181 43 N C 0.053 175.147 175.510 -0.693 0.000 1.017 43 N CA 0.828 53.468 53.050 -0.684 0.000 0.866 43 N CB 0.099 37.861 38.487 -1.209 0.000 0.985 43 N HN 0.137 nan 8.380 nan 0.000 0.429 44 F N 0.722 120.663 119.950 -0.015 0.000 2.893 44 F HA 0.340 4.790 4.527 -0.129 0.000 0.340 44 F C -2.072 173.734 175.800 0.010 0.000 1.300 44 F CA -2.319 55.683 58.000 0.002 0.000 1.227 44 F CB 0.579 39.583 39.000 0.007 0.000 1.044 44 F HN -0.161 nan 8.300 nan 0.000 0.512 45 P HA 0.190 nan 4.420 nan 0.000 0.249 45 P C 0.607 177.953 177.300 0.075 0.000 1.737 45 P CA 0.650 63.794 63.100 0.074 0.000 1.128 45 P CB 0.390 32.107 31.700 0.028 0.000 1.942 46 I N 1.131 121.766 120.570 0.110 0.000 3.570 46 I HA -0.052 4.040 4.170 -0.129 0.000 0.270 46 I C 2.047 178.187 176.117 0.038 0.000 1.162 46 I CA 0.823 62.163 61.300 0.066 0.000 1.413 46 I CB -0.011 38.047 38.000 0.095 0.000 1.437 46 I HN 0.166 nan 8.210 nan 0.000 0.457 47 S N -0.201 115.571 115.700 0.120 0.000 2.506 47 S HA 0.277 4.669 4.470 -0.129 0.000 0.219 47 S C 1.676 176.330 174.600 0.091 0.000 1.031 47 S CA 0.573 58.843 58.200 0.116 0.000 0.911 47 S CB 0.975 64.339 63.200 0.273 0.000 0.812 47 S HN 0.553 nan 8.310 nan 0.000 0.497 48 G N 0.733 109.586 108.800 0.090 0.000 2.184 48 G HA2 -0.098 3.785 3.960 -0.129 0.000 0.264 48 G HA3 -0.098 3.785 3.960 -0.129 0.000 0.264 48 G C 0.202 175.138 174.900 0.061 0.000 0.975 48 G CA 0.346 45.484 45.100 0.063 0.000 0.642 48 G HN 1.121 nan 8.290 nan 0.000 0.536 49 R N -0.139 120.407 120.500 0.076 0.000 2.562 49 R HA 0.896 5.158 4.340 -0.129 0.000 0.298 49 R C 0.598 176.923 176.300 0.041 0.000 0.961 49 R CA 0.775 56.909 56.100 0.057 0.000 0.881 49 R CB 1.396 31.732 30.300 0.061 0.000 1.159 49 R HN 1.580 nan 8.270 nan 0.000 0.450 50 G N 0.319 109.137 108.800 0.030 0.000 2.828 50 G HA2 0.569 4.452 3.960 -0.129 0.000 0.244 50 G HA3 0.569 4.452 3.960 -0.129 0.000 0.244 50 G C -0.171 174.737 174.900 0.013 0.000 1.365 50 G CA -0.957 44.156 45.100 0.022 0.000 1.041 50 G HN 0.596 nan 8.290 nan 0.000 0.560 51 L N 0.952 122.192 121.223 0.028 0.000 2.483 51 L HA 0.152 4.415 4.340 -0.129 0.000 0.276 51 L C 0.467 177.319 176.870 -0.029 0.000 1.213 51 L CA -0.255 54.588 54.840 0.005 0.000 0.843 51 L CB 0.326 42.392 42.059 0.011 0.000 1.107 51 L HN 0.386 nan 8.230 nan 0.000 0.487 52 E N 1.635 121.806 120.200 -0.048 0.000 2.345 52 E HA 0.055 4.328 4.350 -0.129 0.000 0.259 52 E C 0.692 177.235 176.600 -0.094 0.000 1.117 52 E CA -0.459 55.906 56.400 -0.059 0.000 0.913 52 E CB 0.865 30.530 29.700 -0.058 0.000 1.057 52 E HN 0.374 nan 8.360 nan 0.000 0.432 53 R N 2.039 122.489 120.500 -0.082 0.000 2.134 53 R HA -0.261 4.002 4.340 -0.129 0.000 0.248 53 R C 1.836 178.070 176.300 -0.110 0.000 1.143 53 R CA 2.569 58.615 56.100 -0.091 0.000 0.957 53 R CB -0.779 29.485 30.300 -0.060 0.000 0.867 53 R HN 0.586 nan 8.270 nan 0.000 0.441 54 A N -0.174 122.580 122.820 -0.110 0.000 1.972 54 A HA -0.175 4.067 4.320 -0.129 0.000 0.219 54 A C 2.074 179.580 177.584 -0.131 0.000 1.169 54 A CA 1.604 53.572 52.037 -0.115 0.000 0.635 54 A CB -0.402 18.513 19.000 -0.143 0.000 0.810 54 A HN 0.615 nan 8.150 nan 0.000 0.446 55 Q N -0.648 119.066 119.800 -0.142 0.000 2.096 55 Q HA 0.014 4.277 4.340 -0.129 0.000 0.197 55 Q C 1.956 177.839 176.000 -0.195 0.000 0.964 55 Q CA 1.269 56.974 55.803 -0.163 0.000 0.838 55 Q CB -0.223 28.439 28.738 -0.127 0.000 0.906 55 Q HN 0.732 nan 8.270 nan 0.000 0.444 56 I N 0.478 120.893 120.570 -0.258 0.000 2.252 56 I HA -0.265 3.827 4.170 -0.129 0.000 0.245 56 I C 2.620 178.589 176.117 -0.248 0.000 1.102 56 I CA 0.947 61.994 61.300 -0.422 0.000 1.385 56 I CB -0.268 37.354 38.000 -0.630 0.000 1.064 56 I HN 0.151 nan 8.210 nan 0.000 0.414 57 R N 1.504 121.906 120.500 -0.163 0.000 2.094 57 R HA -0.231 4.031 4.340 -0.129 0.000 0.239 57 R C 2.387 178.640 176.300 -0.079 0.000 1.137 57 R CA 1.984 58.028 56.100 -0.093 0.000 0.943 57 R CB -0.350 29.908 30.300 -0.070 0.000 0.850 57 R HN 0.348 nan 8.270 nan 0.000 0.433 58 A N 0.966 123.727 122.820 -0.098 0.000 1.902 58 A HA -0.138 4.105 4.320 -0.129 0.000 0.217 58 A C 2.256 179.797 177.584 -0.071 0.000 1.181 58 A CA 1.386 53.369 52.037 -0.090 0.000 0.623 58 A CB -0.580 18.345 19.000 -0.124 0.000 0.818 58 A HN 0.383 nan 8.150 nan 0.000 0.443 59 L N -0.678 120.499 121.223 -0.078 0.000 2.046 59 L HA -0.130 4.133 4.340 -0.129 0.000 0.208 59 L C 2.842 179.730 176.870 0.030 0.000 1.077 59 L CA 1.123 55.956 54.840 -0.012 0.000 0.747 59 L CB -0.724 41.350 42.059 0.024 0.000 0.896 59 L HN 0.495 nan 8.230 nan 0.000 0.432 60 G N -0.041 108.767 108.800 0.014 0.000 2.421 60 G HA2 -0.230 3.652 3.960 -0.129 0.000 0.216 60 G HA3 -0.230 3.652 3.960 -0.129 0.000 0.216 60 G C 1.609 176.526 174.900 0.030 0.000 1.171 60 G CA 0.684 45.812 45.100 0.047 0.000 0.775 60 G HN 0.229 nan 8.290 nan 0.000 0.543 61 L N -0.360 120.865 121.223 0.002 0.000 2.042 61 L HA -0.071 4.192 4.340 -0.129 0.000 0.210 61 L C 2.719 179.587 176.870 -0.003 0.000 1.076 61 L CA 0.694 55.531 54.840 -0.005 0.000 0.749 61 L CB -0.454 41.591 42.059 -0.023 0.000 0.893 61 L HN 0.237 nan 8.230 nan 0.000 0.432 62 L N -0.227 120.994 121.223 -0.004 0.000 2.046 62 L HA -0.194 4.069 4.340 -0.129 0.000 0.208 62 L C 2.555 179.443 176.870 0.030 0.000 1.077 62 L CA 1.832 56.674 54.840 0.003 0.000 0.747 62 L CB -0.584 41.478 42.059 0.005 0.000 0.896 62 L HN 0.065 nan 8.230 nan 0.000 0.432 63 K N -0.096 120.335 120.400 0.052 0.000 2.097 63 K HA -0.007 4.235 4.320 -0.129 0.000 0.205 63 K C 2.064 178.700 176.600 0.060 0.000 1.050 63 K CA 1.190 57.521 56.287 0.073 0.000 0.938 63 K CB -1.132 31.421 32.500 0.089 0.000 0.718 63 K HN 0.523 nan 8.250 nan 0.000 0.442 64 G N 1.310 110.136 108.800 0.044 0.000 2.446 64 G HA2 -0.257 3.625 3.960 -0.129 0.000 0.217 64 G HA3 -0.257 3.625 3.960 -0.129 0.000 0.217 64 G C 1.733 176.645 174.900 0.020 0.000 1.168 64 G CA 1.359 46.478 45.100 0.033 0.000 0.771 64 G HN 0.378 nan 8.290 nan 0.000 0.551 65 A N -0.104 122.717 122.820 0.001 0.000 1.908 65 A HA -0.101 4.141 4.320 -0.129 0.000 0.218 65 A C 2.587 180.152 177.584 -0.032 0.000 1.181 65 A CA 1.874 53.893 52.037 -0.031 0.000 0.627 65 A CB -1.020 17.943 19.000 -0.061 0.000 0.818 65 A HN 0.435 nan 8.150 nan 0.000 0.445 66 C N -1.168 118.140 119.300 0.014 0.000 2.440 66 C HA 0.094 4.476 4.460 -0.129 0.000 0.278 66 C C 3.309 178.399 174.990 0.168 0.000 1.295 66 C CA 0.706 59.795 59.018 0.118 0.000 1.738 66 C CB -1.304 26.577 27.740 0.234 0.000 1.987 66 C HN 0.706 nan 8.230 nan 0.000 0.492 67 A N -0.037 122.846 122.820 0.104 0.000 1.898 67 A HA -0.221 4.022 4.320 -0.129 0.000 0.216 67 A C 2.068 179.695 177.584 0.072 0.000 1.181 67 A CA 1.991 54.081 52.037 0.088 0.000 0.620 67 A CB -0.661 18.376 19.000 0.062 0.000 0.819 67 A HN 0.582 nan 8.150 nan 0.000 0.442 68 Q N 0.018 119.847 119.800 0.047 0.000 2.061 68 Q HA -0.123 4.139 4.340 -0.129 0.000 0.204 68 Q C 1.853 177.876 176.000 0.039 0.000 0.984 68 Q CA 2.397 58.218 55.803 0.030 0.000 0.846 68 Q CB -0.564 28.178 28.738 0.006 0.000 0.902 68 Q HN 0.335 nan 8.270 nan 0.000 0.421 69 V N 1.174 121.114 119.914 0.043 0.000 2.358 69 V HA -0.211 3.831 4.120 -0.129 0.000 0.246 69 V C 1.945 178.139 176.094 0.167 0.000 1.047 69 V CA 1.843 64.181 62.300 0.064 0.000 1.035 69 V CB -0.740 31.046 31.823 -0.061 0.000 0.658 69 V HN 0.436 nan 8.190 nan 0.000 0.452 70 N N -0.256 118.583 118.700 0.232 0.000 2.205 70 N HA -0.182 4.480 4.740 -0.129 0.000 0.186 70 N C 1.721 177.288 175.510 0.094 0.000 1.015 70 N CA 1.730 54.886 53.050 0.177 0.000 0.862 70 N CB -0.287 38.287 38.487 0.145 0.000 0.986 70 N HN 0.504 nan 8.380 nan 0.000 0.429 71 M N 0.603 120.248 119.600 0.076 0.000 2.160 71 M HA -0.101 4.301 4.480 -0.129 0.000 0.264 71 M C 0.844 177.170 176.300 0.043 0.000 1.073 71 M CA 1.431 56.760 55.300 0.048 0.000 1.142 71 M CB 0.050 32.672 32.600 0.037 0.000 1.358 71 M HN -0.156 nan 8.290 nan 0.000 0.422 72 D N 0.923 121.349 120.400 0.045 0.000 2.172 72 D HA -0.178 4.385 4.640 -0.129 0.000 0.196 72 D C 1.826 178.151 176.300 0.041 0.000 0.999 72 D CA 1.444 55.466 54.000 0.036 0.000 0.856 72 D CB -0.361 40.458 40.800 0.031 0.000 0.934 72 D HN 0.417 nan 8.370 nan 0.000 0.453 73 L N -0.843 120.415 121.223 0.059 0.000 2.591 73 L HA 0.175 4.438 4.340 -0.129 0.000 0.228 73 L C 1.373 178.268 176.870 0.040 0.000 1.133 73 L CA 0.324 55.198 54.840 0.057 0.000 0.880 73 L CB -0.010 42.100 42.059 0.084 0.000 1.033 73 L HN 0.097 nan 8.230 nan 0.000 0.450 74 G N 0.360 109.182 108.800 0.036 0.000 2.176 74 G HA2 -0.275 3.607 3.960 -0.129 0.000 0.252 74 G HA3 -0.275 3.607 3.960 -0.129 0.000 0.252 74 G C 0.609 175.522 174.900 0.022 0.000 1.024 74 G CA 0.360 45.475 45.100 0.026 0.000 0.755 74 G HN 0.359 nan 8.290 nan 0.000 0.507 75 L N -1.655 119.584 121.223 0.027 0.000 2.556 75 L HA 0.498 4.760 4.340 -0.129 0.000 0.226 75 L C 0.855 177.735 176.870 0.016 0.000 1.089 75 L CA 0.070 54.919 54.840 0.016 0.000 0.864 75 L CB 0.364 42.426 42.059 0.006 0.000 1.067 75 L HN 0.266 nan 8.230 nan 0.000 0.477 76 L N 0.648 121.886 121.223 0.025 0.000 2.376 76 L HA 0.663 4.925 4.340 -0.129 0.000 0.275 76 L C 0.119 177.000 176.870 0.018 0.000 0.987 76 L CA -0.611 54.243 54.840 0.023 0.000 0.828 76 L CB 1.423 43.502 42.059 0.033 0.000 1.249 76 L HN -0.050 nan 8.230 nan 0.000 0.409 77 A N 6.537 129.363 122.820 0.011 0.000 2.546 77 A HA 0.327 4.570 4.320 -0.129 0.000 0.243 77 A C -1.681 175.907 177.584 0.007 0.000 1.063 77 A CA -0.465 51.576 52.037 0.007 0.000 0.757 77 A CB -0.413 18.587 19.000 0.001 0.000 0.991 77 A HN 0.796 nan 8.150 nan 0.000 0.503 78 P HA -0.203 nan 4.420 nan 0.000 0.216 78 P C 1.388 178.691 177.300 0.005 0.000 1.150 78 P CA 1.620 64.725 63.100 0.009 0.000 0.843 78 P CB 0.223 31.927 31.700 0.008 0.000 0.787 79 E N 0.077 120.277 120.200 0.000 0.000 2.058 79 E HA -0.233 4.039 4.350 -0.129 0.000 0.194 79 E C 1.845 178.441 176.600 -0.007 0.000 0.997 79 E CA 1.356 57.754 56.400 -0.004 0.000 0.801 79 E CB -0.145 29.550 29.700 -0.008 0.000 0.746 79 E HN 0.169 nan 8.360 nan 0.000 0.450 80 K N -0.052 120.341 120.400 -0.012 0.000 2.026 80 K HA -0.150 4.092 4.320 -0.129 0.000 0.208 80 K C 2.175 178.774 176.600 -0.002 0.000 1.048 80 K CA 1.164 57.440 56.287 -0.017 0.000 0.929 80 K CB -0.177 32.308 32.500 -0.025 0.000 0.713 80 K HN 0.113 nan 8.250 nan 0.000 0.439 81 A N 1.686 124.511 122.820 0.008 0.000 1.877 81 A HA -0.172 4.070 4.320 -0.129 0.000 0.216 81 A C 1.950 179.546 177.584 0.018 0.000 1.186 81 A CA 1.403 53.452 52.037 0.019 0.000 0.620 81 A CB -0.291 18.725 19.000 0.026 0.000 0.822 81 A HN 0.179 nan 8.150 nan 0.000 0.443 82 E N -0.007 120.201 120.200 0.013 0.000 2.153 82 E HA -0.111 4.161 4.350 -0.129 0.000 0.194 82 E C 2.265 178.873 176.600 0.014 0.000 0.988 82 E CA 1.123 57.531 56.400 0.013 0.000 0.811 82 E CB -0.488 29.218 29.700 0.010 0.000 0.746 82 E HN 0.590 nan 8.360 nan 0.000 0.466 83 A N 1.077 123.903 122.820 0.009 0.000 1.898 83 A HA -0.109 4.133 4.320 -0.129 0.000 0.216 83 A C 2.309 179.901 177.584 0.014 0.000 1.181 83 A CA 0.881 52.922 52.037 0.008 0.000 0.620 83 A CB -0.539 18.459 19.000 -0.003 0.000 0.819 83 A HN 0.143 nan 8.150 nan 0.000 0.442 84 I N -0.239 120.341 120.570 0.016 0.000 2.179 84 I HA -0.256 3.836 4.170 -0.129 0.000 0.242 84 I C 2.283 178.421 176.117 0.035 0.000 1.088 84 I CA 1.323 62.639 61.300 0.026 0.000 1.357 84 I CB -0.329 37.689 38.000 0.031 0.000 1.051 84 I HN 0.288 nan 8.210 nan 0.000 0.409 85 I N 0.749 121.338 120.570 0.032 0.000 2.208 85 I HA -0.338 3.754 4.170 -0.129 0.000 0.245 85 I C 2.745 178.883 176.117 0.035 0.000 1.097 85 I CA 1.492 62.812 61.300 0.032 0.000 1.363 85 I CB -0.473 37.542 38.000 0.025 0.000 1.051 85 I HN 0.227 nan 8.210 nan 0.000 0.413 86 A N 0.567 123.407 122.820 0.033 0.000 1.873 86 A HA -0.092 4.150 4.320 -0.129 0.000 0.215 86 A C 2.562 180.180 177.584 0.056 0.000 1.186 86 A CA 1.615 53.675 52.037 0.039 0.000 0.616 86 A CB -0.849 18.170 19.000 0.032 0.000 0.823 86 A HN 0.410 nan 8.150 nan 0.000 0.442 87 A N 0.009 122.858 122.820 0.050 0.000 1.908 87 A HA 0.105 4.347 4.320 -0.129 0.000 0.218 87 A C 2.499 180.135 177.584 0.086 0.000 1.181 87 A CA 2.272 54.343 52.037 0.057 0.000 0.627 87 A CB -1.050 17.964 19.000 0.022 0.000 0.818 87 A HN 1.092 nan 8.150 nan 0.000 0.445 88 A N -0.351 122.513 122.820 0.075 0.000 1.972 88 A HA 0.194 4.437 4.320 -0.129 0.000 0.219 88 A C 2.460 180.093 177.584 0.082 0.000 1.169 88 A CA 1.946 54.033 52.037 0.084 0.000 0.635 88 A CB -0.887 18.152 19.000 0.066 0.000 0.810 88 A HN 1.053 nan 8.150 nan 0.000 0.446 89 A N -0.109 122.752 122.820 0.068 0.000 1.930 89 A HA -0.152 4.091 4.320 -0.129 0.000 0.217 89 A C 1.900 179.530 177.584 0.076 0.000 1.175 89 A CA 1.559 53.630 52.037 0.057 0.000 0.627 89 A CB -0.473 18.552 19.000 0.042 0.000 0.815 89 A HN 0.636 nan 8.150 nan 0.000 0.443 90 E N -0.239 120.031 120.200 0.117 0.000 2.051 90 E HA -0.167 4.106 4.350 -0.129 0.000 0.192 90 E C 1.887 178.607 176.600 0.201 0.000 0.991 90 E CA 1.303 57.800 56.400 0.161 0.000 0.799 90 E CB -0.315 29.559 29.700 0.290 0.000 0.748 90 E HN 0.699 nan 8.360 nan 0.000 0.449 91 I N 1.178 121.905 120.570 0.261 0.000 2.179 91 I HA -0.277 3.815 4.170 -0.129 0.000 0.242 91 I C 2.570 178.743 176.117 0.093 0.000 1.088 91 I CA 1.023 62.472 61.300 0.248 0.000 1.357 91 I CB -0.330 37.827 38.000 0.262 0.000 1.051 91 I HN 0.082 nan 8.210 nan 0.000 0.409 92 A N 0.043 122.900 122.820 0.061 0.000 1.972 92 A HA -0.292 3.950 4.320 -0.129 0.000 0.219 92 A C 1.928 179.516 177.584 0.006 0.000 1.169 92 A CA 2.273 54.319 52.037 0.014 0.000 0.635 92 A CB -0.637 18.372 19.000 0.014 0.000 0.810 92 A HN 0.468 nan 8.150 nan 0.000 0.446 93 D N -1.868 118.544 120.400 0.020 0.000 2.355 93 D HA 0.237 4.800 4.640 -0.129 0.000 0.218 93 D C 1.114 177.409 176.300 -0.008 0.000 1.004 93 D CA 1.181 55.184 54.000 0.005 0.000 0.880 93 D CB -0.131 40.674 40.800 0.008 0.000 0.911 93 D HN 0.579 nan 8.370 nan 0.000 0.528 94 G N 0.608 109.406 108.800 -0.004 0.000 2.142 94 G HA2 -0.310 3.572 3.960 -0.129 0.000 0.225 94 G HA3 -0.310 3.572 3.960 -0.129 0.000 0.225 94 G C 0.803 175.676 174.900 -0.044 0.000 1.015 94 G CA 0.356 45.447 45.100 -0.016 0.000 0.716 94 G HN 0.441 nan 8.290 nan 0.000 0.508 95 Q N -0.795 118.940 119.800 -0.108 0.000 2.398 95 Q HA 0.105 4.367 4.340 -0.129 0.000 0.204 95 Q C 0.963 176.668 176.000 -0.492 0.000 0.932 95 Q CA 0.702 56.309 55.803 -0.327 0.000 0.916 95 Q CB 0.264 28.720 28.738 -0.469 0.000 1.024 95 Q HN 0.770 nan 8.270 nan 0.000 0.504 96 H N -0.696 118.458 119.070 0.141 0.000 2.637 96 H HA 0.140 4.619 4.556 -0.129 0.000 0.245 96 H C -0.066 175.459 175.328 0.329 0.000 1.190 96 H CA -0.191 55.990 56.048 0.220 0.000 0.934 96 H CB 0.685 30.602 29.762 0.258 0.000 1.950 96 H HN 0.150 nan 8.280 nan 0.000 0.614 97 D N 1.047 121.604 120.400 0.262 0.000 2.265 97 D HA -0.138 4.424 4.640 -0.129 0.000 0.208 97 D C 1.676 178.158 176.300 0.303 0.000 0.977 97 D CA 1.163 55.300 54.000 0.228 0.000 0.871 97 D CB 0.056 40.903 40.800 0.079 0.000 0.925 97 D HN 0.559 nan 8.370 nan 0.000 0.485 98 D N -0.218 120.346 120.400 0.273 0.000 2.378 98 D HA -0.120 4.443 4.640 -0.129 0.000 0.227 98 D C 1.033 177.553 176.300 0.366 0.000 1.012 98 D CA 0.433 54.593 54.000 0.265 0.000 0.905 98 D CB -0.232 40.688 40.800 0.200 0.000 0.895 98 D HN 0.158 nan 8.370 nan 0.000 0.532 99 Q N -0.433 119.627 119.800 0.433 0.000 2.220 99 Q HA 0.160 4.422 4.340 -0.129 0.000 0.205 99 Q C -0.414 175.588 176.000 0.004 0.000 0.865 99 Q CA -0.112 55.913 55.803 0.370 0.000 0.960 99 Q CB 0.097 28.963 28.738 0.213 0.000 1.097 99 Q HN 0.368 nan 8.270 nan 0.000 0.493 100 F N 2.136 122.148 119.950 0.104 0.000 2.449 100 F HA 0.284 4.734 4.527 -0.129 0.000 0.344 100 F C -1.486 174.244 175.800 -0.117 0.000 1.180 100 F CA -1.603 56.386 58.000 -0.017 0.000 1.209 100 F CB 1.425 40.444 39.000 0.033 0.000 1.440 100 F HN -0.064 nan 8.300 nan 0.000 0.526 101 P HA 0.087 nan 4.420 nan 0.000 0.255 101 P C 0.351 177.542 177.300 -0.182 0.000 1.248 101 P CA 0.555 63.492 63.100 -0.271 0.000 0.807 101 P CB 0.596 31.898 31.700 -0.663 0.000 1.150 102 I N 1.261 121.744 120.570 -0.145 0.000 2.588 102 I HA 0.050 4.143 4.170 -0.129 0.000 0.283 102 I C 1.096 177.206 176.117 -0.012 0.000 1.119 102 I CA -0.098 61.163 61.300 -0.063 0.000 1.419 102 I CB 0.136 38.108 38.000 -0.047 0.000 1.394 102 I HN -0.106 nan 8.210 nan 0.000 0.562 103 D N 4.349 124.767 120.400 0.030 0.000 2.449 103 D HA -0.027 4.535 4.640 -0.129 0.000 0.236 103 D C 1.167 177.421 176.300 -0.077 0.000 1.149 103 D CA 0.044 54.064 54.000 0.034 0.000 0.878 103 D CB 1.503 42.385 40.800 0.136 0.000 1.198 103 D HN 0.261 nan 8.370 nan 0.000 0.446 104 V N 3.631 123.475 119.914 -0.117 0.000 2.324 104 V HA -0.264 3.779 4.120 -0.129 0.000 0.250 104 V C 1.106 176.870 176.094 -0.550 0.000 1.060 104 V CA 1.409 63.499 62.300 -0.350 0.000 1.042 104 V CB -0.453 31.079 31.823 -0.486 0.000 0.650 104 V HN 0.433 nan 8.190 nan 0.000 0.450 105 F N 1.915 121.781 119.950 -0.141 0.000 2.626 105 F HA 0.319 4.769 4.527 -0.129 0.000 0.353 105 F C 0.827 176.334 175.800 -0.488 0.000 1.230 105 F CA -0.355 57.522 58.000 -0.204 0.000 1.298 105 F CB -0.582 38.364 39.000 -0.090 0.000 1.670 105 F HN 0.356 nan 8.300 nan 0.000 0.633 106 Q N -1.323 118.085 119.800 -0.652 0.000 2.712 106 Q HA 0.523 4.786 4.340 -0.129 0.000 0.267 106 Q C -0.302 175.160 176.000 -0.895 0.000 1.062 106 Q CA -1.204 53.791 55.803 -1.347 0.000 0.888 106 Q CB 0.537 28.773 28.738 -0.838 0.000 1.374 106 Q HN 0.125 nan 8.270 nan 0.000 0.498 107 T N 0.797 114.902 114.554 -0.747 0.000 2.867 107 T HA 0.008 4.281 4.350 -0.129 0.000 0.290 107 T C 1.177 175.690 174.700 -0.311 0.000 1.025 107 T CA 0.621 62.535 62.100 -0.309 0.000 1.146 107 T CB 0.298 69.089 68.868 -0.128 0.000 1.024 107 T HN 0.775 nan 8.240 nan 0.000 0.519 108 G N 1.537 110.196 108.800 -0.235 0.000 2.679 108 G HA2 -0.112 3.771 3.960 -0.129 0.000 0.212 108 G HA3 -0.112 3.771 3.960 -0.129 0.000 0.212 108 G C 1.588 176.396 174.900 -0.152 0.000 1.137 108 G CA 0.435 45.401 45.100 -0.224 0.000 0.787 108 G HN 0.775 nan 8.290 nan 0.000 0.534 109 S N -0.682 114.933 115.700 -0.142 0.000 2.527 109 S HA 0.307 4.700 4.470 -0.129 0.000 0.222 109 S C 1.935 176.399 174.600 -0.227 0.000 0.985 109 S CA 0.939 59.089 58.200 -0.083 0.000 0.921 109 S CB -0.123 63.055 63.200 -0.037 0.000 0.772 109 S HN 1.383 nan 8.310 nan 0.000 0.529 110 G N 1.477 109.959 108.800 -0.529 0.000 2.153 110 G HA2 -0.360 3.522 3.960 -0.129 0.000 0.252 110 G HA3 -0.360 3.522 3.960 -0.129 0.000 0.252 110 G C 0.874 175.457 174.900 -0.529 0.000 0.994 110 G CA 0.985 45.423 45.100 -1.103 0.000 0.698 110 G HN 0.918 nan 8.290 nan 0.000 0.521 111 T N -1.764 112.644 114.554 -0.244 0.000 2.759 111 T HA -0.131 4.142 4.350 -0.129 0.000 0.269 111 T C 2.465 177.124 174.700 -0.068 0.000 1.042 111 T CA 2.280 64.327 62.100 -0.089 0.000 1.140 111 T CB -0.525 68.320 68.868 -0.038 0.000 0.864 111 T HN 0.587 nan 8.240 nan 0.000 0.455 112 S N 1.906 117.545 115.700 -0.103 0.000 2.359 112 S HA -0.123 4.269 4.470 -0.129 0.000 0.224 112 S C 2.487 177.070 174.600 -0.028 0.000 1.035 112 S CA 1.440 59.617 58.200 -0.038 0.000 1.018 112 S CB -0.742 62.450 63.200 -0.014 0.000 0.876 112 S HN 0.587 nan 8.310 nan 0.000 0.448 113 S N 1.584 117.243 115.700 -0.068 0.000 2.402 113 S HA -0.072 4.320 4.470 -0.129 0.000 0.229 113 S C 1.826 176.538 174.600 0.186 0.000 1.021 113 S CA 0.931 59.185 58.200 0.090 0.000 0.974 113 S CB -0.516 62.773 63.200 0.148 0.000 0.800 113 S HN 0.538 nan 8.310 nan 0.000 0.484 114 N N 1.740 120.526 118.700 0.143 0.000 2.043 114 N HA -0.068 4.594 4.740 -0.129 0.000 0.193 114 N C 1.640 177.226 175.510 0.127 0.000 1.037 114 N CA 1.785 54.939 53.050 0.174 0.000 0.851 114 N CB -0.292 38.279 38.487 0.140 0.000 1.027 114 N HN 0.358 nan 8.380 nan 0.000 0.422 115 M N -0.238 119.408 119.600 0.077 0.000 2.229 115 M HA -0.088 4.315 4.480 -0.129 0.000 0.264 115 M C 2.031 178.359 176.300 0.046 0.000 1.063 115 M CA 1.078 56.413 55.300 0.059 0.000 1.114 115 M CB -0.439 32.186 32.600 0.041 0.000 1.387 115 M HN 0.318 nan 8.290 nan 0.000 0.420 116 N N -0.258 118.460 118.700 0.030 0.000 2.061 116 N HA -0.179 4.484 4.740 -0.129 0.000 0.193 116 N C 1.296 176.758 175.510 -0.080 0.000 1.030 116 N CA 1.948 54.965 53.050 -0.054 0.000 0.856 116 N CB 0.138 38.583 38.487 -0.071 0.000 1.023 116 N HN 0.283 nan 8.380 nan 0.000 0.424 117 T N 0.677 115.301 114.554 0.116 0.000 2.777 117 T HA -0.049 4.224 4.350 -0.129 0.000 0.266 117 T C 1.493 176.260 174.700 0.110 0.000 1.040 117 T CA 0.922 63.151 62.100 0.216 0.000 1.141 117 T CB -0.338 68.730 68.868 0.334 0.000 0.868 117 T HN 0.305 nan 8.240 nan 0.000 0.444 118 N N 1.398 120.153 118.700 0.092 0.000 2.084 118 N HA -0.086 4.577 4.740 -0.129 0.000 0.190 118 N C 1.921 177.457 175.510 0.043 0.000 1.030 118 N CA 1.146 54.238 53.050 0.070 0.000 0.849 118 N CB -0.315 38.214 38.487 0.070 0.000 1.012 118 N HN 0.562 nan 8.380 nan 0.000 0.423 119 E N 0.313 120.532 120.200 0.031 0.000 2.077 119 E HA -0.083 4.189 4.350 -0.129 0.000 0.193 119 E C 2.003 178.599 176.600 -0.007 0.000 0.989 119 E CA 0.749 57.164 56.400 0.024 0.000 0.800 119 E CB 0.057 29.787 29.700 0.050 0.000 0.746 119 E HN 0.060 nan 8.360 nan 0.000 0.452 120 V N 1.457 121.345 119.914 -0.043 0.000 2.295 120 V HA -0.259 3.784 4.120 -0.129 0.000 0.246 120 V C 2.271 178.319 176.094 -0.077 0.000 1.049 120 V CA 1.505 63.749 62.300 -0.092 0.000 1.024 120 V CB -0.358 31.350 31.823 -0.192 0.000 0.648 120 V HN 0.261 nan 8.190 nan 0.000 0.447 121 I N 0.352 120.910 120.570 -0.021 0.000 2.163 121 I HA -0.301 3.791 4.170 -0.129 0.000 0.243 121 I C 2.658 178.764 176.117 -0.018 0.000 1.085 121 I CA 1.626 62.922 61.300 -0.006 0.000 1.347 121 I CB -0.562 37.461 38.000 0.039 0.000 1.044 121 I HN 0.312 nan 8.210 nan 0.000 0.408 122 A N -0.026 122.789 122.820 -0.008 0.000 1.883 122 A HA -0.229 4.014 4.320 -0.129 0.000 0.217 122 A C 2.476 180.043 177.584 -0.028 0.000 1.186 122 A CA 2.327 54.358 52.037 -0.011 0.000 0.624 122 A CB -0.860 18.146 19.000 0.010 0.000 0.822 122 A HN 0.400 nan 8.150 nan 0.000 0.444 123 S N -0.129 115.546 115.700 -0.041 0.000 2.370 123 S HA -0.157 4.236 4.470 -0.129 0.000 0.226 123 S C 1.802 176.364 174.600 -0.064 0.000 1.033 123 S CA 1.635 59.800 58.200 -0.059 0.000 1.011 123 S CB -0.547 62.604 63.200 -0.083 0.000 0.852 123 S HN 0.547 nan 8.310 nan 0.000 0.457 124 I N 1.589 122.111 120.570 -0.080 0.000 2.202 124 I HA -0.201 3.891 4.170 -0.129 0.000 0.242 124 I C 2.739 178.836 176.117 -0.033 0.000 1.091 124 I CA 1.075 62.333 61.300 -0.071 0.000 1.368 124 I CB -0.600 37.337 38.000 -0.106 0.000 1.058 124 I HN 0.263 nan 8.210 nan 0.000 0.410 125 A N 1.154 123.957 122.820 -0.029 0.000 1.883 125 A HA -0.170 4.072 4.320 -0.129 0.000 0.217 125 A C 2.452 180.022 177.584 -0.024 0.000 1.186 125 A CA 2.105 54.129 52.037 -0.021 0.000 0.624 125 A CB -1.551 17.435 19.000 -0.023 0.000 0.822 125 A HN 0.469 nan 8.150 nan 0.000 0.444 126 G N -0.794 107.987 108.800 -0.030 0.000 2.432 126 G HA2 0.030 3.912 3.960 -0.129 0.000 0.219 126 G HA3 0.030 3.912 3.960 -0.129 0.000 0.219 126 G C 1.627 176.513 174.900 -0.024 0.000 1.135 126 G CA 1.331 46.413 45.100 -0.029 0.000 0.767 126 G HN 0.856 nan 8.290 nan 0.000 0.550 127 A N 0.704 123.509 122.820 -0.024 0.000 2.066 127 A HA 0.041 4.284 4.320 -0.129 0.000 0.218 127 A C 1.881 179.460 177.584 -0.008 0.000 1.157 127 A CA 0.993 53.020 52.037 -0.017 0.000 0.670 127 A CB -0.148 18.841 19.000 -0.018 0.000 0.804 127 A HN 0.321 nan 8.150 nan 0.000 0.453 128 N N -0.154 118.542 118.700 -0.007 0.000 2.313 128 N HA 0.167 4.829 4.740 -0.129 0.000 0.207 128 N C 0.870 176.375 175.510 -0.007 0.000 1.141 128 N CA 0.813 53.862 53.050 -0.002 0.000 0.830 128 N CB 0.324 38.813 38.487 0.003 0.000 1.008 128 N HN 0.551 nan 8.380 nan 0.000 0.481 129 G N 0.332 109.125 108.800 -0.012 0.000 2.221 129 G HA2 -0.245 3.638 3.960 -0.129 0.000 0.265 129 G HA3 -0.245 3.638 3.960 -0.129 0.000 0.265 129 G C -0.339 174.551 174.900 -0.018 0.000 1.041 129 G CA 0.191 45.283 45.100 -0.014 0.000 0.807 129 G HN 0.187 nan 8.290 nan 0.000 0.502 130 V N -0.193 119.707 119.914 -0.024 0.000 2.482 130 V HA 0.768 4.810 4.120 -0.129 0.000 0.295 130 V C 0.493 176.557 176.094 -0.050 0.000 1.026 130 V CA -0.633 61.647 62.300 -0.032 0.000 0.856 130 V CB 1.651 33.458 31.823 -0.026 0.000 1.001 130 V HN 1.197 nan 8.190 nan 0.000 0.424 131 A N 5.109 127.888 122.820 -0.069 0.000 2.347 131 A HA 0.724 4.967 4.320 -0.129 0.000 0.287 131 A C -0.094 177.377 177.584 -0.188 0.000 1.199 131 A CA -0.259 51.712 52.037 -0.110 0.000 0.851 131 A CB 0.455 19.393 19.000 -0.105 0.000 1.118 131 A HN 1.492 nan 8.150 nan 0.000 0.525 132 V N 1.353 121.158 119.914 -0.182 0.000 2.735 132 V HA 0.586 4.629 4.120 -0.129 0.000 0.310 132 V C -0.622 175.357 176.094 -0.191 0.000 1.061 132 V CA -1.024 61.148 62.300 -0.214 0.000 0.913 132 V CB 1.566 33.338 31.823 -0.085 0.000 1.005 132 V HN 0.777 nan 8.190 nan 0.000 0.428 133 H N 4.226 123.299 119.070 0.006 0.000 2.620 133 H HA 0.378 4.856 4.556 -0.129 0.000 0.313 133 H C -2.024 173.311 175.328 0.011 0.000 1.075 133 H CA -1.986 54.066 56.048 0.006 0.000 1.397 133 H CB 1.784 31.549 29.762 0.005 0.000 1.446 133 H HN 0.485 nan 8.280 nan 0.000 0.493 134 P HA -0.190 nan 4.420 nan 0.000 0.215 134 P C 1.480 178.827 177.300 0.078 0.000 1.157 134 P CA 1.362 64.512 63.100 0.082 0.000 0.874 134 P CB 0.551 32.291 31.700 0.066 0.000 0.790 135 N N -0.891 117.854 118.700 0.075 0.000 2.132 135 N HA -0.115 4.548 4.740 -0.129 0.000 0.187 135 N C 1.222 176.766 175.510 0.056 0.000 1.038 135 N CA 1.194 54.275 53.050 0.053 0.000 0.846 135 N CB -0.284 38.220 38.487 0.029 0.000 1.012 135 N HN -0.101 nan 8.380 nan 0.000 0.429 136 D N 0.694 121.139 120.400 0.076 0.000 2.144 136 D HA -0.100 4.463 4.640 -0.129 0.000 0.199 136 D C 1.056 177.402 176.300 0.076 0.000 0.984 136 D CA 1.088 55.132 54.000 0.073 0.000 0.834 136 D CB -0.142 40.715 40.800 0.095 0.000 0.955 136 D HN 0.375 nan 8.370 nan 0.000 0.465 137 D N -0.524 119.933 120.400 0.095 0.000 2.468 137 D HA 0.008 4.570 4.640 -0.129 0.000 0.243 137 D C 2.332 178.663 176.300 0.052 0.000 0.994 137 D CA 0.316 54.350 54.000 0.057 0.000 0.932 137 D CB -0.121 40.695 40.800 0.026 0.000 1.078 137 D HN 0.000 nan 8.370 nan 0.000 0.473 138 V N 1.220 121.169 119.914 0.058 0.000 2.515 138 V HA -0.137 3.905 4.120 -0.129 0.000 0.250 138 V C 1.530 177.667 176.094 0.073 0.000 1.058 138 V CA 1.326 63.664 62.300 0.063 0.000 1.064 138 V CB -0.541 31.320 31.823 0.062 0.000 0.675 138 V HN 0.065 nan 8.190 nan 0.000 0.461 139 N N -0.531 118.208 118.700 0.064 0.000 2.235 139 N HA 0.184 4.847 4.740 -0.129 0.000 0.209 139 N C 0.504 176.032 175.510 0.030 0.000 1.122 139 N CA -0.120 52.966 53.050 0.060 0.000 0.845 139 N CB -0.070 38.450 38.487 0.055 0.000 1.004 139 N HN 0.461 nan 8.380 nan 0.000 0.499 140 M N 0.498 120.111 119.600 0.021 0.000 2.284 140 M HA -0.066 4.336 4.480 -0.129 0.000 0.351 140 M C 0.089 176.310 176.300 -0.131 0.000 1.443 140 M CA 0.873 56.152 55.300 -0.034 0.000 1.031 140 M CB 0.127 32.717 32.600 -0.016 0.000 1.893 140 M HN 0.280 nan 8.290 nan 0.000 0.456 141 S N 0.995 116.559 115.700 -0.227 0.000 2.857 141 S HA -0.197 4.196 4.470 -0.129 0.000 0.268 141 S C -0.332 174.069 174.600 -0.332 0.000 1.297 141 S CA 1.419 59.330 58.200 -0.483 0.000 1.280 141 S CB -1.366 61.123 63.200 -1.186 0.000 1.562 141 S HN 0.925 nan 8.310 nan 0.000 0.661 142 Q N 0.189 119.929 119.800 -0.100 0.000 2.378 142 Q HA 0.800 5.062 4.340 -0.129 0.000 0.276 142 Q C -0.243 175.769 176.000 0.021 0.000 1.083 142 Q CA -0.395 55.423 55.803 0.024 0.000 0.856 142 Q CB 1.999 30.797 28.738 0.100 0.000 1.383 142 Q HN 0.226 nan 8.270 nan 0.000 0.458 143 S N -1.103 114.627 115.700 0.049 0.000 2.632 143 S HA 0.340 4.733 4.470 -0.129 0.000 0.289 143 S C 0.133 174.776 174.600 0.072 0.000 1.115 143 S CA -0.558 57.671 58.200 0.047 0.000 0.889 143 S CB 1.724 64.948 63.200 0.039 0.000 1.116 143 S HN 0.541 nan 8.310 nan 0.000 0.486 144 S N 2.016 117.757 115.700 0.068 0.000 2.399 144 S HA -0.075 4.317 4.470 -0.129 0.000 0.231 144 S C 1.457 176.123 174.600 0.110 0.000 1.022 144 S CA 1.186 59.440 58.200 0.090 0.000 0.983 144 S CB -0.518 62.715 63.200 0.056 0.000 0.803 144 S HN 0.735 nan 8.310 nan 0.000 0.480 145 N N 1.925 120.674 118.700 0.083 0.000 2.396 145 N HA -0.068 4.595 4.740 -0.129 0.000 0.180 145 N C 1.152 176.714 175.510 0.087 0.000 1.028 145 N CA 1.236 54.337 53.050 0.085 0.000 0.893 145 N CB -0.252 38.275 38.487 0.067 0.000 0.967 145 N HN 0.636 nan 8.380 nan 0.000 0.440 146 D N -0.832 119.616 120.400 0.079 0.000 2.388 146 D HA -0.012 4.551 4.640 -0.129 0.000 0.208 146 D C 1.538 177.887 176.300 0.081 0.000 1.035 146 D CA 0.753 54.791 54.000 0.064 0.000 0.875 146 D CB -0.659 40.168 40.800 0.046 0.000 0.984 146 D HN 0.212 nan 8.370 nan 0.000 0.508 147 T N -1.785 112.837 114.554 0.113 0.000 2.809 147 T HA -0.027 4.245 4.350 -0.129 0.000 0.260 147 T C 1.877 176.653 174.700 0.126 0.000 1.039 147 T CA 0.365 62.535 62.100 0.117 0.000 1.141 147 T CB -0.952 67.999 68.868 0.138 0.000 0.869 147 T HN 0.052 nan 8.240 nan 0.000 0.437 148 F N 3.962 123.939 119.950 0.044 0.000 2.146 148 F HA 0.135 4.585 4.527 -0.129 0.000 0.298 148 F C -0.893 174.940 175.800 0.056 0.000 1.096 148 F CA 0.288 58.312 58.000 0.041 0.000 1.275 148 F CB -0.750 38.267 39.000 0.028 0.000 1.008 148 F HN 0.134 nan 8.300 nan 0.000 0.480 149 P HA -0.103 nan 4.420 nan 0.000 0.218 149 P C 1.576 178.914 177.300 0.064 0.000 1.149 149 P CA 1.809 64.975 63.100 0.110 0.000 0.817 149 P CB -0.338 31.437 31.700 0.124 0.000 0.785 150 T N 0.188 114.745 114.554 0.006 0.000 2.708 150 T HA -0.094 4.179 4.350 -0.129 0.000 0.266 150 T C 2.023 176.695 174.700 -0.046 0.000 1.037 150 T CA 1.810 63.901 62.100 -0.014 0.000 1.146 150 T CB -0.903 67.956 68.868 -0.016 0.000 0.865 150 T HN 0.063 nan 8.240 nan 0.000 0.435 151 A N 1.209 123.954 122.820 -0.125 0.000 1.933 151 A HA -0.133 4.110 4.320 -0.129 0.000 0.218 151 A C 2.532 179.968 177.584 -0.247 0.000 1.175 151 A CA 2.084 54.005 52.037 -0.192 0.000 0.628 151 A CB -1.221 17.629 19.000 -0.250 0.000 0.814 151 A HN 0.485 nan 8.150 nan 0.000 0.444 152 T N -0.919 113.442 114.554 -0.322 0.000 2.708 152 T HA -0.133 4.139 4.350 -0.129 0.000 0.266 152 T C 1.787 176.382 174.700 -0.175 0.000 1.037 152 T CA 1.471 63.402 62.100 -0.283 0.000 1.146 152 T CB -0.473 68.242 68.868 -0.256 0.000 0.865 152 T HN 0.645 nan 8.240 nan 0.000 0.435 153 H N 0.235 119.234 119.070 -0.119 0.000 2.428 153 H HA 0.111 4.589 4.556 -0.129 0.000 0.296 153 H C 2.326 177.602 175.328 -0.087 0.000 1.062 153 H CA 0.922 56.926 56.048 -0.074 0.000 1.350 153 H CB -0.106 29.628 29.762 -0.047 0.000 1.403 153 H HN 0.333 nan 8.280 nan 0.000 0.533 154 I N 0.756 121.324 120.570 -0.003 0.000 2.179 154 I HA -0.242 3.851 4.170 -0.129 0.000 0.242 154 I C 2.880 178.943 176.117 -0.091 0.000 1.088 154 I CA 1.013 62.285 61.300 -0.047 0.000 1.357 154 I CB -0.276 37.688 38.000 -0.059 0.000 1.051 154 I HN 0.153 nan 8.210 nan 0.000 0.409 155 A N 0.656 123.403 122.820 -0.122 0.000 1.902 155 A HA -0.170 4.073 4.320 -0.129 0.000 0.217 155 A C 2.504 179.970 177.584 -0.197 0.000 1.181 155 A CA 1.996 53.944 52.037 -0.148 0.000 0.623 155 A CB -0.848 18.056 19.000 -0.159 0.000 0.818 155 A HN 0.447 nan 8.150 nan 0.000 0.443 156 A N -1.314 121.386 122.820 -0.201 0.000 1.929 156 A HA 0.000 4.243 4.320 -0.129 0.000 0.216 156 A C 2.282 179.638 177.584 -0.380 0.000 1.176 156 A CA 2.073 53.948 52.037 -0.271 0.000 0.628 156 A CB -1.072 17.851 19.000 -0.128 0.000 0.816 156 A HN 0.419 nan 8.150 nan 0.000 0.444 157 T N -0.470 113.965 114.554 -0.199 0.000 2.737 157 T HA -0.140 4.133 4.350 -0.129 0.000 0.265 157 T C 1.856 176.447 174.700 -0.182 0.000 1.038 157 T CA 1.538 63.549 62.100 -0.148 0.000 1.144 157 T CB -0.202 68.632 68.868 -0.056 0.000 0.866 157 T HN 0.684 nan 8.240 nan 0.000 0.434 158 E N 0.817 120.926 120.200 -0.152 0.000 2.085 158 E HA -0.137 4.136 4.350 -0.129 0.000 0.194 158 E C 2.383 178.935 176.600 -0.079 0.000 0.994 158 E CA 0.998 57.340 56.400 -0.098 0.000 0.801 158 E CB -0.211 29.460 29.700 -0.048 0.000 0.743 158 E HN 0.467 nan 8.360 nan 0.000 0.453 159 A N 1.222 123.884 122.820 -0.264 0.000 1.883 159 A HA -0.186 4.057 4.320 -0.129 0.000 0.217 159 A C 2.421 179.693 177.584 -0.519 0.000 1.186 159 A CA 2.079 53.861 52.037 -0.426 0.000 0.624 159 A CB -0.984 17.499 19.000 -0.863 0.000 0.822 159 A HN 0.425 nan 8.150 nan 0.000 0.444 160 A N -0.911 121.438 122.820 -0.785 0.000 1.883 160 A HA -0.014 4.228 4.320 -0.129 0.000 0.217 160 A C 2.267 179.799 177.584 -0.086 0.000 1.186 160 A CA 2.092 53.939 52.037 -0.317 0.000 0.624 160 A CB -0.877 18.038 19.000 -0.142 0.000 0.822 160 A HN 0.434 nan 8.150 nan 0.000 0.444 161 V N -0.994 118.857 119.914 -0.105 0.000 2.426 161 V HA -0.065 3.977 4.120 -0.129 0.000 0.242 161 V C 2.391 178.440 176.094 -0.075 0.000 1.036 161 V CA 2.064 64.327 62.300 -0.062 0.000 1.044 161 V CB -0.185 31.600 31.823 -0.063 0.000 0.688 161 V HN 0.501 nan 8.190 nan 0.000 0.462 162 S N -1.889 113.740 115.700 -0.118 0.000 2.535 162 S HA 0.131 4.524 4.470 -0.129 0.000 0.214 162 S C 1.379 175.770 174.600 -0.349 0.000 0.980 162 S CA 0.053 58.116 58.200 -0.228 0.000 0.907 162 S CB -0.003 63.020 63.200 -0.295 0.000 0.790 162 S HN 0.645 nan 8.310 nan 0.000 0.510 163 H N -0.550 118.479 119.070 -0.067 0.000 2.143 163 H HA 0.286 4.764 4.556 -0.130 0.000 0.238 163 H C 1.765 177.096 175.328 0.005 0.000 0.914 163 H CA 0.156 56.182 56.048 -0.035 0.000 1.154 163 H CB -0.570 29.162 29.762 -0.050 0.000 1.359 163 H HN 0.180 nan 8.280 nan 0.000 0.493 164 L N 1.523 122.844 121.223 0.163 0.000 2.023 164 L HA 0.020 4.282 4.340 -0.129 0.000 0.205 164 L C 2.237 179.175 176.870 0.113 0.000 1.073 164 L CA 1.233 56.176 54.840 0.171 0.000 0.745 164 L CB -0.769 41.470 42.059 0.299 0.000 0.900 164 L HN 0.132 nan 8.230 nan 0.000 0.435 165 I N 0.026 120.646 120.570 0.085 0.000 2.163 165 I HA -0.243 3.849 4.170 -0.129 0.000 0.243 165 I C -0.413 175.728 176.117 0.040 0.000 1.085 165 I CA 1.486 62.822 61.300 0.059 0.000 1.347 165 I CB -1.386 36.639 38.000 0.041 0.000 1.044 165 I HN 0.268 nan 8.210 nan 0.000 0.408 166 P HA -0.146 nan 4.420 nan 0.000 0.217 166 P C 1.408 178.724 177.300 0.027 0.000 1.150 166 P CA 1.671 64.778 63.100 0.012 0.000 0.832 166 P CB -0.004 31.688 31.700 -0.013 0.000 0.787 167 A N -0.627 122.221 122.820 0.047 0.000 1.898 167 A HA -0.134 4.108 4.320 -0.129 0.000 0.216 167 A C 2.152 179.771 177.584 0.059 0.000 1.181 167 A CA 1.282 53.353 52.037 0.057 0.000 0.620 167 A CB -1.605 17.442 19.000 0.078 0.000 0.819 167 A HN 0.106 nan 8.150 nan 0.000 0.442 168 L N -0.647 120.614 121.223 0.064 0.000 2.083 168 L HA -0.197 4.065 4.340 -0.129 0.000 0.209 168 L C 2.529 179.426 176.870 0.045 0.000 1.083 168 L CA 1.508 56.385 54.840 0.061 0.000 0.752 168 L CB -0.606 41.492 42.059 0.065 0.000 0.899 168 L HN 0.472 nan 8.230 nan 0.000 0.433 169 E N 0.337 120.558 120.200 0.035 0.000 2.110 169 E HA -0.208 4.064 4.350 -0.129 0.000 0.193 169 E C 2.304 178.914 176.600 0.017 0.000 0.988 169 E CA 1.083 57.497 56.400 0.023 0.000 0.804 169 E CB -0.084 29.625 29.700 0.015 0.000 0.745 169 E HN 0.484 nan 8.360 nan 0.000 0.458 170 I N 0.773 121.354 120.570 0.018 0.000 2.208 170 I HA -0.274 3.818 4.170 -0.129 0.000 0.245 170 I C 2.467 178.588 176.117 0.007 0.000 1.097 170 I CA 0.682 61.989 61.300 0.011 0.000 1.363 170 I CB -0.136 37.873 38.000 0.016 0.000 1.051 170 I HN 0.156 nan 8.210 nan 0.000 0.413 171 L N 0.517 121.753 121.223 0.022 0.000 2.027 171 L HA -0.239 4.023 4.340 -0.129 0.000 0.206 171 L C 2.539 179.416 176.870 0.012 0.000 1.074 171 L CA 1.810 56.658 54.840 0.013 0.000 0.745 171 L CB -0.831 41.260 42.059 0.053 0.000 0.898 171 L HN 0.241 nan 8.230 nan 0.000 0.433 172 Q N -0.700 119.117 119.800 0.028 0.000 2.096 172 Q HA -0.306 3.956 4.340 -0.129 0.000 0.204 172 Q C 1.942 177.955 176.000 0.021 0.000 0.982 172 Q CA 2.331 58.154 55.803 0.033 0.000 0.850 172 Q CB -0.227 28.532 28.738 0.034 0.000 0.901 172 Q HN 0.725 nan 8.270 nan 0.000 0.422 173 D N -0.473 119.931 120.400 0.007 0.000 2.104 173 D HA -0.177 4.386 4.640 -0.129 0.000 0.194 173 D C 1.763 178.050 176.300 -0.022 0.000 0.994 173 D CA 1.834 55.829 54.000 -0.008 0.000 0.830 173 D CB -0.177 40.616 40.800 -0.012 0.000 0.959 173 D HN 0.377 nan 8.370 nan 0.000 0.452 174 A N -0.019 122.782 122.820 -0.030 0.000 1.902 174 A HA -0.105 4.138 4.320 -0.129 0.000 0.217 174 A C 2.419 179.978 177.584 -0.041 0.000 1.181 174 A CA 1.261 53.263 52.037 -0.059 0.000 0.623 174 A CB -0.874 18.078 19.000 -0.079 0.000 0.818 174 A HN 0.389 nan 8.150 nan 0.000 0.443 175 L N -0.934 120.304 121.223 0.025 0.000 2.056 175 L HA -0.152 4.111 4.340 -0.129 0.000 0.207 175 L C 3.109 180.053 176.870 0.124 0.000 1.078 175 L CA 1.007 55.941 54.840 0.157 0.000 0.749 175 L CB -0.541 41.623 42.059 0.174 0.000 0.901 175 L HN 0.424 nan 8.230 nan 0.000 0.433 176 A N -0.481 122.372 122.820 0.056 0.000 1.933 176 A HA -0.204 4.038 4.320 -0.129 0.000 0.218 176 A C 2.360 179.931 177.584 -0.022 0.000 1.175 176 A CA 2.357 54.411 52.037 0.028 0.000 0.628 176 A CB -0.901 18.108 19.000 0.015 0.000 0.814 176 A HN 0.388 nan 8.150 nan 0.000 0.444 177 T N -0.090 114.427 114.554 -0.062 0.000 2.746 177 T HA -0.106 4.167 4.350 -0.129 0.000 0.267 177 T C 2.009 176.576 174.700 -0.220 0.000 1.039 177 T CA 1.433 63.462 62.100 -0.120 0.000 1.142 177 T CB -0.139 68.654 68.868 -0.125 0.000 0.866 177 T HN 0.319 nan 8.240 nan 0.000 0.444 178 K N 1.420 121.641 120.400 -0.299 0.000 2.063 178 K HA 0.046 4.288 4.320 -0.129 0.000 0.208 178 K C 2.594 178.971 176.600 -0.371 0.000 1.048 178 K CA 1.299 57.225 56.287 -0.602 0.000 0.928 178 K CB -0.784 31.214 32.500 -0.836 0.000 0.713 178 K HN 0.361 nan 8.250 nan 0.000 0.442 179 A N 1.280 124.056 122.820 -0.072 0.000 1.940 179 A HA -0.180 4.062 4.320 -0.129 0.000 0.219 179 A C 2.182 179.776 177.584 0.018 0.000 1.176 179 A CA 1.385 53.459 52.037 0.061 0.000 0.631 179 A CB -0.489 18.572 19.000 0.101 0.000 0.814 179 A HN 0.232 nan 8.150 nan 0.000 0.446 180 L N -0.089 121.110 121.223 -0.040 0.000 2.044 180 L HA -0.064 4.199 4.340 -0.129 0.000 0.205 180 L C 2.289 179.135 176.870 -0.041 0.000 1.075 180 L CA 2.558 57.379 54.840 -0.032 0.000 0.747 180 L CB -0.752 41.281 42.059 -0.044 0.000 0.903 180 L HN 0.600 nan 8.230 nan 0.000 0.435 181 E N -1.315 118.802 120.200 -0.139 0.000 2.118 181 E HA -0.263 4.010 4.350 -0.129 0.000 0.195 181 E C 0.890 177.518 176.600 0.046 0.000 0.992 181 E CA 1.440 57.746 56.400 -0.156 0.000 0.804 181 E CB -0.163 29.288 29.700 -0.415 0.000 0.741 181 E HN 0.565 nan 8.360 nan 0.000 0.458 182 W N 1.241 122.490 121.300 -0.085 0.000 3.194 182 W HA 0.223 4.892 4.660 0.015 0.000 0.408 182 W C 1.534 178.027 176.519 -0.042 0.000 1.072 182 W CA -0.641 56.657 57.345 -0.079 0.000 1.953 182 W CB -0.376 29.000 29.460 -0.140 0.000 1.091 182 W HN 0.290 nan 8.180 nan 0.000 0.699 183 Q N 0.265 120.162 119.800 0.162 0.000 2.135 183 Q HA -0.154 4.108 4.340 -0.129 0.000 0.204 183 Q C 1.146 177.190 176.000 0.073 0.000 0.981 183 Q CA 1.743 57.602 55.803 0.095 0.000 0.856 183 Q CB 0.133 28.905 28.738 0.057 0.000 0.902 183 Q HN -0.066 nan 8.270 nan 0.000 0.425 184 S N -0.538 115.205 115.700 0.072 0.000 2.593 184 S HA 0.168 4.561 4.470 -0.129 0.000 0.236 184 S C -0.293 174.320 174.600 0.022 0.000 0.991 184 S CA -0.328 57.896 58.200 0.040 0.000 0.963 184 S CB 1.193 64.413 63.200 0.033 0.000 0.865 184 S HN 0.071 nan 8.310 nan 0.000 0.488 185 V N 2.949 122.875 119.914 0.021 0.000 2.229 185 V HA 0.163 4.206 4.120 -0.129 0.000 0.245 185 V C 0.510 176.562 176.094 -0.070 0.000 1.243 185 V CA -0.246 62.018 62.300 -0.060 0.000 1.176 185 V CB -0.104 31.601 31.823 -0.197 0.000 1.323 185 V HN 0.270 nan 8.190 nan 0.000 0.499 186 V N 6.315 126.201 119.914 -0.047 0.000 2.740 186 V HA 0.420 4.462 4.120 -0.129 0.000 0.303 186 V C 0.304 176.359 176.094 -0.066 0.000 1.054 186 V CA 0.210 62.484 62.300 -0.043 0.000 1.106 186 V CB 1.062 32.867 31.823 -0.030 0.000 0.957 186 V HN 1.029 nan 8.190 nan 0.000 0.486 187 K N 3.296 123.662 120.400 -0.056 0.000 2.428 187 K HA 0.570 4.813 4.320 -0.129 0.000 0.279 187 K C -0.946 175.628 176.600 -0.043 0.000 1.041 187 K CA -0.848 55.401 56.287 -0.063 0.000 0.887 187 K CB 1.400 33.857 32.500 -0.071 0.000 1.535 187 K HN 0.367 nan 8.250 nan 0.000 0.417 188 S N 0.146 115.821 115.700 -0.042 0.000 2.545 188 S HA 0.378 4.771 4.470 -0.129 0.000 0.275 188 S C 0.179 174.769 174.600 -0.018 0.000 1.299 188 S CA -0.313 57.870 58.200 -0.030 0.000 1.048 188 S CB 0.903 64.084 63.200 -0.032 0.000 0.938 188 S HN 0.652 nan 8.310 nan 0.000 0.496 189 G N 2.216 111.008 108.800 -0.014 0.000 2.636 189 G HA2 0.400 4.283 3.960 -0.129 0.000 0.246 189 G HA3 0.400 4.283 3.960 -0.129 0.000 0.246 189 G C -0.524 174.370 174.900 -0.009 0.000 1.216 189 G CA -0.535 44.559 45.100 -0.009 0.000 0.854 189 G HN 0.648 nan 8.290 nan 0.000 0.572 190 R N -0.194 120.300 120.500 -0.010 0.000 2.532 190 R HA 0.502 4.764 4.340 -0.129 0.000 0.297 190 R C -0.795 175.494 176.300 -0.019 0.000 0.984 190 R CA -0.606 55.485 56.100 -0.016 0.000 0.884 190 R CB 2.117 32.399 30.300 -0.031 0.000 1.182 190 R HN 0.704 nan 8.270 nan 0.000 0.442 191 T N -0.920 113.636 114.554 0.004 0.000 2.848 191 T HA 0.286 4.558 4.350 -0.129 0.000 0.285 191 T C 0.283 175.036 174.700 0.087 0.000 0.995 191 T CA -0.756 61.338 62.100 -0.010 0.000 0.970 191 T CB 0.970 69.855 68.868 0.027 0.000 0.976 191 T HN 0.852 nan 8.240 nan 0.000 0.441 192 H N 2.151 121.196 119.070 -0.042 0.000 3.047 192 H HA -0.156 4.322 4.556 -0.130 0.000 0.263 192 H C 0.853 176.138 175.328 -0.070 0.000 1.168 192 H CA 0.801 56.820 56.048 -0.048 0.000 1.152 192 H CB -1.569 28.170 29.762 -0.038 0.000 1.278 192 H HN 0.888 nan 8.280 nan 0.000 0.339 193 L N -3.602 117.618 121.223 -0.006 0.000 4.759 193 L HA -0.255 4.007 4.340 -0.129 0.000 0.419 193 L C 0.143 176.986 176.870 -0.045 0.000 1.093 193 L CA 0.915 55.711 54.840 -0.073 0.000 1.037 193 L CB -1.126 40.856 42.059 -0.129 0.000 2.095 193 L HN 0.104 nan 8.230 nan 0.000 0.739 194 M N -0.137 119.466 119.600 0.005 0.000 2.537 194 M HA 0.417 4.820 4.480 -0.129 0.000 0.324 194 M C 0.289 176.588 176.300 -0.001 0.000 1.187 194 M CA -0.667 54.633 55.300 -0.001 0.000 0.993 194 M CB 0.811 33.416 32.600 0.008 0.000 1.666 194 M HN -0.116 nan 8.290 nan 0.000 0.461 195 D N 1.909 122.302 120.400 -0.011 0.000 2.583 195 D HA 0.329 4.891 4.640 -0.129 0.000 0.232 195 D C -0.232 176.066 176.300 -0.003 0.000 1.128 195 D CA 0.603 54.596 54.000 -0.012 0.000 0.859 195 D CB 0.418 41.208 40.800 -0.015 0.000 1.169 195 D HN 0.661 nan 8.370 nan 0.000 0.481 196 A N 1.584 124.402 122.820 -0.004 0.000 2.530 196 A HA 0.658 4.901 4.320 -0.129 0.000 0.288 196 A C -0.049 177.532 177.584 -0.006 0.000 1.172 196 A CA -0.762 51.276 52.037 0.001 0.000 0.733 196 A CB 0.789 19.794 19.000 0.009 0.000 1.320 196 A HN 0.414 nan 8.150 nan 0.000 0.419 197 V N -2.062 117.849 119.914 -0.004 0.000 3.287 197 V HA 0.374 4.416 4.120 -0.129 0.000 0.306 197 V C -2.521 173.567 176.094 -0.011 0.000 1.103 197 V CA -1.151 61.144 62.300 -0.008 0.000 1.159 197 V CB -0.780 31.040 31.823 -0.005 0.000 1.036 197 V HN 0.659 nan 8.190 nan 0.000 0.487 198 P HA 0.424 nan 4.420 nan 0.000 0.271 198 P C -0.490 176.803 177.300 -0.012 0.000 1.218 198 P CA 0.065 63.156 63.100 -0.015 0.000 0.780 198 P CB 0.940 32.629 31.700 -0.017 0.000 0.901 199 V N -1.230 118.676 119.914 -0.012 0.000 3.160 199 V HA 0.850 4.892 4.120 -0.129 0.000 0.310 199 V C -0.362 175.729 176.094 -0.005 0.000 1.181 199 V CA -0.871 61.425 62.300 -0.007 0.000 1.047 199 V CB 1.667 33.486 31.823 -0.007 0.000 1.068 199 V HN 0.613 nan 8.190 nan 0.000 0.441 200 T N -0.860 113.699 114.554 0.008 0.000 2.943 200 T HA 0.584 4.857 4.350 -0.129 0.000 0.284 200 T C 0.965 175.694 174.700 0.048 0.000 1.015 200 T CA -0.548 61.561 62.100 0.015 0.000 1.042 200 T CB 1.509 70.397 68.868 0.033 0.000 1.055 200 T HN 0.697 nan 8.240 nan 0.000 0.500 201 L N 1.283 122.528 121.223 0.037 0.000 2.079 201 L HA 0.019 4.281 4.340 -0.129 0.000 0.210 201 L C 2.922 179.985 176.870 0.321 0.000 1.081 201 L CA 1.706 56.637 54.840 0.152 0.000 0.752 201 L CB -0.951 41.044 42.059 -0.105 0.000 0.896 201 L HN 1.041 nan 8.230 nan 0.000 0.433 202 G N -1.008 107.941 108.800 0.248 0.000 2.440 202 G HA2 -0.281 3.601 3.960 -0.129 0.000 0.218 202 G HA3 -0.281 3.601 3.960 -0.129 0.000 0.218 202 G C 1.478 176.469 174.900 0.151 0.000 1.154 202 G CA 0.495 45.729 45.100 0.223 0.000 0.767 202 G HN 0.396 nan 8.290 nan 0.000 0.552 203 Q N -0.061 119.793 119.800 0.090 0.000 2.046 203 Q HA -0.067 4.196 4.340 -0.129 0.000 0.200 203 Q C 2.562 178.542 176.000 -0.032 0.000 0.975 203 Q CA 1.357 57.177 55.803 0.027 0.000 0.836 203 Q CB -0.126 28.617 28.738 0.009 0.000 0.896 203 Q HN 0.594 nan 8.270 nan 0.000 0.428 204 E N 0.051 120.230 120.200 -0.035 0.000 2.051 204 E HA -0.179 4.093 4.350 -0.129 0.000 0.192 204 E C 1.733 177.961 176.600 -0.621 0.000 0.991 204 E CA 0.983 57.219 56.400 -0.273 0.000 0.799 204 E CB -0.151 29.449 29.700 -0.167 0.000 0.748 204 E HN 0.306 nan 8.360 nan 0.000 0.449 205 F N 1.164 120.916 119.950 -0.330 0.000 2.269 205 F HA -0.199 4.241 4.527 -0.145 0.000 0.301 205 F C 2.867 178.590 175.800 -0.130 0.000 1.082 205 F CA 1.196 59.079 58.000 -0.195 0.000 1.360 205 F CB -0.179 38.890 39.000 0.116 0.000 1.041 205 F HN 0.041 nan 8.300 nan 0.000 0.512 206 S N -0.171 115.553 115.700 0.040 0.000 2.382 206 S HA -0.129 4.264 4.470 -0.129 0.000 0.228 206 S C 2.376 176.951 174.600 -0.042 0.000 1.027 206 S CA 1.187 59.395 58.200 0.015 0.000 0.991 206 S CB -1.318 61.892 63.200 0.016 0.000 0.823 206 S HN 0.351 nan 8.310 nan 0.000 0.469 207 G N 0.488 109.198 108.800 -0.151 0.000 2.421 207 G HA2 -0.123 3.760 3.960 -0.129 0.000 0.216 207 G HA3 -0.123 3.760 3.960 -0.129 0.000 0.216 207 G C 1.234 176.107 174.900 -0.044 0.000 1.171 207 G CA 0.992 46.011 45.100 -0.135 0.000 0.775 207 G HN 0.589 nan 8.290 nan 0.000 0.543 208 Y N 1.398 121.666 120.300 -0.054 0.000 2.181 208 Y HA 0.042 4.515 4.550 -0.128 0.000 0.288 208 Y C 3.133 179.021 175.900 -0.020 0.000 1.146 208 Y CA 0.142 58.198 58.100 -0.074 0.000 1.164 208 Y CB -1.230 37.114 38.460 -0.194 0.000 0.982 208 Y HN 0.265 nan 8.280 nan 0.000 0.515 209 A N 0.336 123.245 122.820 0.147 0.000 1.902 209 A HA -0.246 3.997 4.320 -0.129 0.000 0.217 209 A C 2.334 179.960 177.584 0.070 0.000 1.181 209 A CA 2.065 54.163 52.037 0.101 0.000 0.623 209 A CB -0.665 18.386 19.000 0.086 0.000 0.818 209 A HN 0.336 nan 8.150 nan 0.000 0.443 210 R N 0.114 120.646 120.500 0.053 0.000 2.096 210 R HA -0.139 4.124 4.340 -0.129 0.000 0.235 210 R C 2.155 178.485 176.300 0.049 0.000 1.127 210 R CA 2.170 58.294 56.100 0.040 0.000 0.968 210 R CB -0.683 29.631 30.300 0.024 0.000 0.861 210 R HN 0.691 nan 8.270 nan 0.000 0.440 211 Q N -0.442 119.399 119.800 0.068 0.000 2.124 211 Q HA -0.106 4.156 4.340 -0.129 0.000 0.202 211 Q C 1.778 177.815 176.000 0.061 0.000 0.977 211 Q CA 1.339 57.182 55.803 0.067 0.000 0.850 211 Q CB -0.047 28.746 28.738 0.092 0.000 0.901 211 Q HN 0.330 nan 8.270 nan 0.000 0.429 212 I N 0.647 121.259 120.570 0.070 0.000 2.406 212 I HA -0.181 3.912 4.170 -0.129 0.000 0.249 212 I C 2.243 178.390 176.117 0.050 0.000 1.122 212 I CA 1.177 62.514 61.300 0.062 0.000 1.431 212 I CB -1.126 36.915 38.000 0.069 0.000 1.087 212 I HN 0.318 nan 8.210 nan 0.000 0.424 213 E N 1.412 121.639 120.200 0.046 0.000 2.085 213 E HA -0.230 4.042 4.350 -0.129 0.000 0.194 213 E C 2.297 178.917 176.600 0.033 0.000 0.994 213 E CA 1.640 58.062 56.400 0.036 0.000 0.801 213 E CB 0.094 29.813 29.700 0.031 0.000 0.743 213 E HN 0.419 nan 8.360 nan 0.000 0.453 214 A N 0.696 123.535 122.820 0.033 0.000 1.933 214 A HA -0.093 4.149 4.320 -0.129 0.000 0.218 214 A C 2.404 180.006 177.584 0.030 0.000 1.175 214 A CA 1.673 53.727 52.037 0.029 0.000 0.628 214 A CB -1.189 17.828 19.000 0.027 0.000 0.814 214 A HN 0.466 nan 8.150 nan 0.000 0.444 215 G N 0.269 109.089 108.800 0.035 0.000 2.446 215 G HA2 -0.246 3.636 3.960 -0.129 0.000 0.217 215 G HA3 -0.246 3.636 3.960 -0.129 0.000 0.217 215 G C 1.517 176.441 174.900 0.041 0.000 1.168 215 G CA 1.239 46.361 45.100 0.035 0.000 0.771 215 G HN 0.491 nan 8.290 nan 0.000 0.551 216 I N 0.615 121.211 120.570 0.043 0.000 2.226 216 I HA -0.161 3.932 4.170 -0.129 0.000 0.245 216 I C 2.780 178.921 176.117 0.040 0.000 1.100 216 I CA 1.349 62.676 61.300 0.045 0.000 1.374 216 I CB -0.288 37.736 38.000 0.040 0.000 1.057 216 I HN 0.266 nan 8.210 nan 0.000 0.413 217 E N 0.548 120.768 120.200 0.033 0.000 2.085 217 E HA -0.242 4.030 4.350 -0.129 0.000 0.194 217 E C 2.350 178.969 176.600 0.030 0.000 0.994 217 E CA 1.118 57.535 56.400 0.028 0.000 0.801 217 E CB -0.120 29.594 29.700 0.023 0.000 0.743 217 E HN 0.436 nan 8.360 nan 0.000 0.453 218 R N 0.342 120.861 120.500 0.031 0.000 2.073 218 R HA -0.105 4.157 4.340 -0.129 0.000 0.234 218 R C 2.469 178.793 176.300 0.040 0.000 1.134 218 R CA 1.144 57.261 56.100 0.029 0.000 0.952 218 R CB -0.336 29.977 30.300 0.022 0.000 0.850 218 R HN 0.035 nan 8.270 nan 0.000 0.433 219 V N 0.953 120.900 119.914 0.055 0.000 2.295 219 V HA -0.259 3.784 4.120 -0.129 0.000 0.246 219 V C 2.257 178.397 176.094 0.076 0.000 1.049 219 V CA 1.781 64.133 62.300 0.087 0.000 1.024 219 V CB -0.497 31.400 31.823 0.123 0.000 0.648 219 V HN 0.294 nan 8.190 nan 0.000 0.447 220 R N 0.218 120.752 120.500 0.056 0.000 2.105 220 R HA -0.158 4.105 4.340 -0.129 0.000 0.239 220 R C 2.384 178.707 176.300 0.038 0.000 1.135 220 R CA 1.496 57.622 56.100 0.043 0.000 0.967 220 R CB -0.641 29.678 30.300 0.031 0.000 0.861 220 R HN 0.544 nan 8.270 nan 0.000 0.442 221 A N 0.627 123.468 122.820 0.036 0.000 2.019 221 A HA -0.164 4.078 4.320 -0.129 0.000 0.219 221 A C 2.158 179.763 177.584 0.036 0.000 1.164 221 A CA 1.931 53.987 52.037 0.031 0.000 0.644 221 A CB -0.699 18.317 19.000 0.026 0.000 0.805 221 A HN 0.525 nan 8.150 nan 0.000 0.449 222 T N -2.471 112.112 114.554 0.049 0.000 3.067 222 T HA 0.132 4.404 4.350 -0.129 0.000 0.261 222 T C 1.695 176.433 174.700 0.063 0.000 1.110 222 T CA 0.788 62.923 62.100 0.058 0.000 1.113 222 T CB -0.456 68.457 68.868 0.075 0.000 0.917 222 T HN 0.315 nan 8.240 nan 0.000 0.499 223 L N 0.938 122.194 121.223 0.054 0.000 2.083 223 L HA 0.033 4.295 4.340 -0.129 0.000 0.209 223 L C -0.367 176.526 176.870 0.038 0.000 1.083 223 L CA 1.228 56.095 54.840 0.046 0.000 0.752 223 L CB -1.617 40.461 42.059 0.031 0.000 0.899 223 L HN 0.237 nan 8.230 nan 0.000 0.433 224 P HA -0.150 nan 4.420 nan 0.000 0.219 224 P C 1.356 178.673 177.300 0.027 0.000 1.146 224 P CA 1.442 64.556 63.100 0.023 0.000 0.808 224 P CB 0.056 31.767 31.700 0.019 0.000 0.779 225 R N -2.125 118.400 120.500 0.042 0.000 2.167 225 R HA 0.156 4.419 4.340 -0.129 0.000 0.201 225 R C 1.986 178.343 176.300 0.094 0.000 1.024 225 R CA -0.070 56.060 56.100 0.050 0.000 1.053 225 R CB -0.964 29.366 30.300 0.049 0.000 0.987 225 R HN 0.065 nan 8.270 nan 0.000 0.493 226 L N 0.651 121.945 121.223 0.119 0.000 2.079 226 L HA -0.036 4.226 4.340 -0.129 0.000 0.210 226 L C 1.830 178.832 176.870 0.221 0.000 1.081 226 L CA 2.015 56.968 54.840 0.189 0.000 0.752 226 L CB -0.758 41.377 42.059 0.127 0.000 0.896 226 L HN 0.230 nan 8.230 nan 0.000 0.433 227 G N -1.481 107.380 108.800 0.103 0.000 2.744 227 G HA2 -0.077 3.805 3.960 -0.129 0.000 0.211 227 G HA3 -0.077 3.805 3.960 -0.129 0.000 0.211 227 G C 0.485 175.398 174.900 0.022 0.000 1.143 227 G CA -0.268 44.867 45.100 0.059 0.000 0.788 227 G HN 0.450 nan 8.290 nan 0.000 0.534 228 E N 0.183 120.380 120.200 -0.004 0.000 2.376 228 E HA 0.329 4.602 4.350 -0.129 0.000 0.266 228 E C -0.399 176.097 176.600 -0.174 0.000 1.009 228 E CA 0.086 56.437 56.400 -0.081 0.000 0.902 228 E CB 1.033 30.678 29.700 -0.091 0.000 0.972 228 E HN 0.154 nan 8.360 nan 0.000 0.439 229 L N 1.619 122.763 121.223 -0.132 0.000 2.346 229 L HA 0.395 4.657 4.340 -0.129 0.000 0.274 229 L C 0.790 177.585 176.870 -0.125 0.000 1.007 229 L CA -0.607 54.152 54.840 -0.136 0.000 0.818 229 L CB 1.692 43.705 42.059 -0.077 0.000 1.284 229 L HN 0.616 nan 8.230 nan 0.000 0.424 230 A N 2.531 125.280 122.820 -0.117 0.000 2.123 230 A HA 0.078 4.320 4.320 -0.129 0.000 0.214 230 A C 0.823 178.381 177.584 -0.044 0.000 1.152 230 A CA 0.061 52.047 52.037 -0.085 0.000 0.728 230 A CB -0.153 18.808 19.000 -0.065 0.000 0.814 230 A HN 0.574 nan 8.150 nan 0.000 0.464 231 I N 0.312 120.865 120.570 -0.027 0.000 2.906 231 I HA 0.268 4.361 4.170 -0.129 0.000 0.302 231 I C 1.409 177.552 176.117 0.043 0.000 1.220 231 I CA 1.617 62.928 61.300 0.017 0.000 1.441 231 I CB 0.191 38.180 38.000 -0.018 0.000 1.336 231 I HN 0.604 nan 8.210 nan 0.000 0.565 232 G N 4.353 113.243 108.800 0.151 0.000 2.232 232 G HA2 -0.225 3.657 3.960 -0.129 0.000 0.226 232 G HA3 -0.225 3.657 3.960 -0.129 0.000 0.226 232 G C 1.044 175.983 174.900 0.065 0.000 0.996 232 G CA 0.276 45.491 45.100 0.191 0.000 0.626 232 G HN 1.264 nan 8.290 nan 0.000 0.509 233 G N 0.592 109.391 108.800 -0.002 0.000 2.650 233 G HA2 0.406 4.289 3.960 -0.129 0.000 0.214 233 G HA3 0.406 4.289 3.960 -0.129 0.000 0.214 233 G C 1.447 176.323 174.900 -0.040 0.000 1.136 233 G CA 2.486 47.539 45.100 -0.078 0.000 0.789 233 G HN 2.183 nan 8.290 nan 0.000 0.536 234 T N -1.554 113.004 114.554 0.007 0.000 9.146 234 T HA -0.387 3.885 4.350 -0.129 0.000 0.631 234 T C 1.893 176.605 174.700 0.020 0.000 1.221 234 T CA 1.967 64.076 62.100 0.015 0.000 3.343 234 T CB -1.365 67.502 68.868 -0.001 0.000 2.456 234 T HN 1.275 nan 8.240 nan 0.000 0.348 235 A N 0.949 123.784 122.820 0.026 0.000 1.902 235 A HA 0.231 4.473 4.320 -0.129 0.000 0.217 235 A C 2.711 180.329 177.584 0.056 0.000 1.181 235 A CA 3.769 55.829 52.037 0.039 0.000 0.623 235 A CB -0.884 18.138 19.000 0.036 0.000 0.818 235 A HN 2.054 nan 8.150 nan 0.000 0.443 236 V N -5.851 114.104 119.914 0.068 0.000 3.432 236 V HA 0.624 4.667 4.120 -0.129 0.000 0.298 236 V C 1.178 177.351 176.094 0.132 0.000 1.464 236 V CA 0.751 63.124 62.300 0.122 0.000 1.046 236 V CB -0.317 31.600 31.823 0.156 0.000 0.887 236 V HN 1.498 nan 8.190 nan 0.000 0.441 237 G N 1.361 110.142 108.800 -0.032 0.000 2.201 237 G HA2 -0.282 3.600 3.960 -0.129 0.000 0.212 237 G HA3 -0.282 3.600 3.960 -0.129 0.000 0.212 237 G C 0.946 175.541 174.900 -0.509 0.000 0.994 237 G CA 0.883 45.758 45.100 -0.376 0.000 0.644 237 G HN 1.042 nan 8.290 nan 0.000 0.508 238 T N -1.354 113.162 114.554 -0.063 0.000 3.067 238 T HA 0.405 4.678 4.350 -0.129 0.000 0.261 238 T C 2.450 177.155 174.700 0.008 0.000 1.110 238 T CA 1.760 63.905 62.100 0.076 0.000 1.113 238 T CB 0.140 69.126 68.868 0.195 0.000 0.917 238 T HN 2.203 nan 8.240 nan 0.000 0.499 239 G N 0.975 109.761 108.800 -0.024 0.000 2.159 239 G HA2 -0.226 3.657 3.960 -0.129 0.000 0.256 239 G HA3 -0.226 3.657 3.960 -0.129 0.000 0.256 239 G C -0.060 174.842 174.900 0.004 0.000 0.977 239 G CA 0.082 45.179 45.100 -0.006 0.000 0.652 239 G HN 0.773 nan 8.290 nan 0.000 0.531 240 L N 0.621 121.852 121.223 0.015 0.000 2.525 240 L HA 0.394 4.657 4.340 -0.129 0.000 0.278 240 L C 1.164 178.025 176.870 -0.015 0.000 1.218 240 L CA 1.480 56.326 54.840 0.009 0.000 0.878 240 L CB -0.008 42.065 42.059 0.023 0.000 1.127 240 L HN 0.387 nan 8.230 nan 0.000 0.492 241 N N 1.229 119.912 118.700 -0.028 0.000 2.909 241 N HA -0.199 4.464 4.740 -0.129 0.000 0.242 241 N C -0.340 175.104 175.510 -0.110 0.000 0.975 241 N CA 1.228 54.244 53.050 -0.056 0.000 0.921 241 N CB -1.621 36.838 38.487 -0.047 0.000 1.112 241 N HN 0.795 nan 8.380 nan 0.000 0.581 242 A N 0.470 123.224 122.820 -0.109 0.000 2.324 242 A HA 0.721 4.964 4.320 -0.129 0.000 0.330 242 A C -2.070 175.447 177.584 -0.112 0.000 1.165 242 A CA -1.187 50.730 52.037 -0.200 0.000 0.813 242 A CB 1.142 20.058 19.000 -0.139 0.000 1.197 242 A HN -0.053 nan 8.150 nan 0.000 0.484 243 P HA 0.390 nan 4.420 nan 0.000 0.269 243 P C 0.175 177.515 177.300 0.068 0.000 1.215 243 P CA 0.218 63.312 63.100 -0.011 0.000 0.780 243 P CB 0.109 31.820 31.700 0.018 0.000 0.898 244 E N 0.840 121.072 120.200 0.055 0.000 2.529 244 E HA 0.285 4.557 4.350 -0.129 0.000 0.259 244 E C 1.403 178.056 176.600 0.088 0.000 0.966 244 E CA 0.317 56.754 56.400 0.061 0.000 0.937 244 E CB -1.320 28.405 29.700 0.041 0.000 0.923 244 E HN 0.899 nan 8.360 nan 0.000 0.468 245 G N 1.421 110.270 108.800 0.083 0.000 2.166 245 G HA2 -0.317 3.565 3.960 -0.129 0.000 0.260 245 G HA3 -0.317 3.565 3.960 -0.129 0.000 0.260 245 G C 0.905 175.865 174.900 0.099 0.000 0.986 245 G CA 0.874 46.016 45.100 0.070 0.000 0.683 245 G HN 1.253 nan 8.290 nan 0.000 0.527 246 F N 1.609 121.554 119.950 -0.008 0.000 2.120 246 F HA -0.008 4.442 4.527 -0.129 0.000 0.300 246 F C 2.388 178.180 175.800 -0.012 0.000 1.095 246 F CA 2.902 60.898 58.000 -0.008 0.000 1.249 246 F CB -0.603 38.394 39.000 -0.006 0.000 0.995 246 F HN 0.155 nan 8.300 nan 0.000 0.480 247 G N -0.399 108.395 108.800 -0.009 0.000 2.404 247 G HA2 -0.193 3.689 3.960 -0.129 0.000 0.215 247 G HA3 -0.193 3.689 3.960 -0.129 0.000 0.215 247 G C 1.821 176.637 174.900 -0.140 0.000 1.174 247 G CA 1.069 46.103 45.100 -0.110 0.000 0.780 247 G HN 0.328 nan 8.290 nan 0.000 0.537 248 V N 0.899 120.764 119.914 -0.081 0.000 2.282 248 V HA -0.243 3.800 4.120 -0.129 0.000 0.249 248 V C 2.841 178.873 176.094 -0.102 0.000 1.057 248 V CA 2.501 64.757 62.300 -0.072 0.000 1.032 248 V CB -0.445 31.357 31.823 -0.036 0.000 0.645 248 V HN 0.382 nan 8.190 nan 0.000 0.447 249 K N -0.545 119.778 120.400 -0.129 0.000 2.057 249 K HA -0.091 4.152 4.320 -0.129 0.000 0.206 249 K C 2.010 178.488 176.600 -0.204 0.000 1.050 249 K CA 1.227 57.430 56.287 -0.141 0.000 0.935 249 K CB -0.369 32.062 32.500 -0.114 0.000 0.715 249 K HN 0.327 nan 8.250 nan 0.000 0.439 250 V N 0.978 120.686 119.914 -0.344 0.000 2.343 250 V HA -0.221 3.822 4.120 -0.129 0.000 0.247 250 V C 2.217 178.198 176.094 -0.188 0.000 1.051 250 V CA 1.471 63.570 62.300 -0.335 0.000 1.036 250 V CB -0.335 31.180 31.823 -0.512 0.000 0.654 250 V HN 0.085 nan 8.190 nan 0.000 0.451 251 V N -0.352 119.467 119.914 -0.159 0.000 2.343 251 V HA -0.269 3.773 4.120 -0.129 0.000 0.247 251 V C 2.682 178.727 176.094 -0.082 0.000 1.051 251 V CA 2.327 64.565 62.300 -0.103 0.000 1.036 251 V CB -0.707 31.065 31.823 -0.085 0.000 0.654 251 V HN 0.625 nan 8.190 nan 0.000 0.451 252 S N -0.270 115.381 115.700 -0.083 0.000 2.365 252 S HA -0.205 4.188 4.470 -0.129 0.000 0.225 252 S C 1.994 176.558 174.600 -0.060 0.000 1.039 252 S CA 2.139 60.301 58.200 -0.063 0.000 1.033 252 S CB -0.270 62.895 63.200 -0.059 0.000 0.887 252 S HN 0.338 nan 8.310 nan 0.000 0.447 253 V N 2.066 121.937 119.914 -0.072 0.000 2.343 253 V HA -0.151 3.892 4.120 -0.129 0.000 0.247 253 V C 2.425 178.487 176.094 -0.054 0.000 1.051 253 V CA 1.913 64.177 62.300 -0.060 0.000 1.036 253 V CB -0.753 31.030 31.823 -0.066 0.000 0.654 253 V HN 0.471 nan 8.190 nan 0.000 0.451 254 L N -0.497 120.688 121.223 -0.064 0.000 2.042 254 L HA -0.172 4.090 4.340 -0.129 0.000 0.210 254 L C 2.481 179.324 176.870 -0.045 0.000 1.076 254 L CA 1.195 56.003 54.840 -0.054 0.000 0.749 254 L CB -0.715 41.309 42.059 -0.060 0.000 0.893 254 L HN 0.194 nan 8.230 nan 0.000 0.432 255 V N -0.131 119.756 119.914 -0.046 0.000 2.295 255 V HA -0.299 3.743 4.120 -0.129 0.000 0.246 255 V C 2.714 178.787 176.094 -0.035 0.000 1.049 255 V CA 2.139 64.415 62.300 -0.039 0.000 1.024 255 V CB -0.683 31.118 31.823 -0.037 0.000 0.648 255 V HN 0.667 nan 8.190 nan 0.000 0.447 256 S N -0.338 115.342 115.700 -0.034 0.000 2.383 256 S HA -0.269 4.123 4.470 -0.129 0.000 0.227 256 S C 1.889 176.473 174.600 -0.028 0.000 1.026 256 S CA 1.531 59.714 58.200 -0.029 0.000 0.981 256 S CB -0.460 62.724 63.200 -0.027 0.000 0.818 256 S HN 0.699 nan 8.310 nan 0.000 0.472 257 Q N 0.848 120.631 119.800 -0.029 0.000 2.123 257 Q HA -0.042 4.220 4.340 -0.129 0.000 0.199 257 Q C 2.378 178.361 176.000 -0.029 0.000 0.966 257 Q CA 1.719 57.506 55.803 -0.026 0.000 0.845 257 Q CB -0.348 28.375 28.738 -0.025 0.000 0.907 257 Q HN 0.932 nan 8.270 nan 0.000 0.439 258 T N -4.179 110.355 114.554 -0.033 0.000 3.037 258 T HA 0.228 4.500 4.350 -0.129 0.000 0.251 258 T C 1.404 176.080 174.700 -0.040 0.000 1.079 258 T CA 0.464 62.542 62.100 -0.037 0.000 1.067 258 T CB 0.438 69.282 68.868 -0.041 0.000 0.948 258 T HN 0.383 nan 8.240 nan 0.000 0.496 259 G N 1.691 110.469 108.800 -0.036 0.000 2.198 259 G HA2 -0.212 3.671 3.960 -0.129 0.000 0.260 259 G HA3 -0.212 3.671 3.960 -0.129 0.000 0.260 259 G C -0.073 174.804 174.900 -0.038 0.000 1.025 259 G CA 0.331 45.410 45.100 -0.036 0.000 0.769 259 G HN 0.644 nan 8.290 nan 0.000 0.507 260 L N 0.749 121.949 121.223 -0.039 0.000 2.321 260 L HA 0.316 4.578 4.340 -0.129 0.000 0.272 260 L C -0.843 176.007 176.870 -0.032 0.000 1.050 260 L CA -2.052 52.766 54.840 -0.038 0.000 0.893 260 L CB 1.532 43.565 42.059 -0.043 0.000 1.272 260 L HN -0.059 nan 8.230 nan 0.000 0.435 261 P HA -0.106 nan 4.420 nan 0.000 0.234 261 P C 0.791 178.079 177.300 -0.020 0.000 1.167 261 P CA 0.685 63.771 63.100 -0.024 0.000 0.763 261 P CB 0.472 32.160 31.700 -0.020 0.000 0.835 262 Q N -0.167 119.622 119.800 -0.019 0.000 2.224 262 Q HA 0.026 4.288 4.340 -0.129 0.000 0.203 262 Q C 0.977 176.969 176.000 -0.013 0.000 0.970 262 Q CA 0.511 56.306 55.803 -0.013 0.000 0.865 262 Q CB -0.713 28.018 28.738 -0.011 0.000 0.922 262 Q HN 0.328 nan 8.270 nan 0.000 0.445 263 L N 2.552 123.763 121.223 -0.020 0.000 2.455 263 L HA 0.164 4.427 4.340 -0.129 0.000 0.272 263 L C 0.256 177.109 176.870 -0.028 0.000 1.174 263 L CA 0.119 54.946 54.840 -0.023 0.000 0.869 263 L CB 0.117 42.157 42.059 -0.032 0.000 1.130 263 L HN 0.236 nan 8.230 nan 0.000 0.474 264 R N 0.588 121.069 120.500 -0.031 0.000 2.710 264 R HA 0.508 4.770 4.340 -0.129 0.000 0.270 264 R C -1.070 175.202 176.300 -0.046 0.000 1.021 264 R CA -0.937 55.142 56.100 -0.035 0.000 0.889 264 R CB 0.839 31.124 30.300 -0.025 0.000 1.243 264 R HN 0.294 nan 8.270 nan 0.000 0.464 265 T N 1.424 115.950 114.554 -0.047 0.000 2.940 265 T HA 0.290 4.562 4.350 -0.129 0.000 0.309 265 T C 0.628 175.296 174.700 -0.053 0.000 1.056 265 T CA 0.378 62.446 62.100 -0.053 0.000 1.137 265 T CB 0.792 69.633 68.868 -0.045 0.000 0.976 265 T HN 0.665 nan 8.240 nan 0.000 0.547 266 A N 2.240 125.019 122.820 -0.069 0.000 2.531 266 A HA 0.480 4.723 4.320 -0.129 0.000 0.236 266 A C 1.722 179.280 177.584 -0.043 0.000 1.062 266 A CA 0.013 52.009 52.037 -0.068 0.000 0.760 266 A CB -0.283 18.663 19.000 -0.091 0.000 0.995 266 A HN 1.068 nan 8.150 nan 0.000 0.501 267 A N 1.901 124.705 122.820 -0.027 0.000 1.933 267 A HA -0.058 4.184 4.320 -0.129 0.000 0.218 267 A C 1.131 178.716 177.584 0.003 0.000 1.175 267 A CA 1.699 53.732 52.037 -0.008 0.000 0.628 267 A CB -0.238 18.763 19.000 0.001 0.000 0.814 267 A HN 0.868 nan 8.150 nan 0.000 0.444 268 N N -0.931 117.769 118.700 0.000 0.000 2.480 268 N HA 0.148 4.810 4.740 -0.129 0.000 0.289 268 N C 0.592 176.080 175.510 -0.036 0.000 1.073 268 N CA 0.560 53.628 53.050 0.030 0.000 0.885 268 N CB 1.853 40.391 38.487 0.085 0.000 1.421 268 N HN 0.147 nan 8.380 nan 0.000 0.503 269 S N 2.752 118.360 115.700 -0.154 0.000 2.447 269 S HA -0.042 4.350 4.470 -0.129 0.000 0.233 269 S C 1.412 175.747 174.600 -0.442 0.000 1.006 269 S CA 0.668 58.658 58.200 -0.350 0.000 0.957 269 S CB -0.404 62.492 63.200 -0.505 0.000 0.773 269 S HN 0.504 nan 8.310 nan 0.000 0.507 270 F N 2.027 121.987 119.950 0.016 0.000 2.179 270 F HA 0.191 4.641 4.527 -0.129 0.000 0.292 270 F C 2.872 178.684 175.800 0.019 0.000 1.089 270 F CA 0.879 58.894 58.000 0.024 0.000 1.295 270 F CB -0.559 38.458 39.000 0.028 0.000 1.041 270 F HN 0.154 nan 8.300 nan 0.000 0.487 271 E N 1.325 121.627 120.200 0.169 0.000 2.130 271 E HA -0.242 4.031 4.350 -0.129 0.000 0.196 271 E C 2.109 178.730 176.600 0.035 0.000 0.998 271 E CA 1.339 57.791 56.400 0.087 0.000 0.806 271 E CB -0.237 29.502 29.700 0.065 0.000 0.738 271 E HN 0.332 nan 8.360 nan 0.000 0.459 272 A N -0.005 122.807 122.820 -0.013 0.000 2.206 272 A HA -0.078 4.164 4.320 -0.129 0.000 0.211 272 A C 1.864 179.428 177.584 -0.034 0.000 1.158 272 A CA 0.903 52.904 52.037 -0.059 0.000 0.761 272 A CB -0.017 18.918 19.000 -0.108 0.000 0.801 272 A HN 0.298 nan 8.150 nan 0.000 0.473 273 Q N -2.053 117.751 119.800 0.006 0.000 2.471 273 Q HA 0.267 4.530 4.340 -0.129 0.000 0.259 273 Q C 2.100 178.151 176.000 0.085 0.000 0.850 273 Q CA 0.540 56.368 55.803 0.042 0.000 0.981 273 Q CB 0.165 28.918 28.738 0.026 0.000 1.180 273 Q HN 0.529 nan 8.270 nan 0.000 0.571 274 A N 0.939 123.819 122.820 0.100 0.000 2.121 274 A HA 0.302 4.544 4.320 -0.129 0.000 0.218 274 A C 0.924 178.558 177.584 0.083 0.000 1.154 274 A CA 1.212 53.312 52.037 0.106 0.000 0.679 274 A CB -0.001 19.067 19.000 0.114 0.000 0.795 274 A HN 0.291 nan 8.150 nan 0.000 0.458 275 A N -1.513 121.352 122.820 0.075 0.000 2.566 275 A HA 0.742 4.985 4.320 -0.129 0.000 0.292 275 A C -0.089 177.548 177.584 0.087 0.000 1.112 275 A CA -0.727 51.350 52.037 0.068 0.000 0.707 275 A CB 0.927 19.952 19.000 0.043 0.000 1.302 275 A HN 0.070 nan 8.150 nan 0.000 0.409 276 R N 0.723 121.285 120.500 0.102 0.000 2.816 276 R HA 0.150 4.413 4.340 -0.129 0.000 0.382 276 R C -0.701 175.675 176.300 0.127 0.000 1.140 276 R CA -0.238 55.955 56.100 0.155 0.000 1.050 276 R CB 0.431 30.834 30.300 0.172 0.000 1.396 276 R HN 0.742 nan 8.270 nan 0.000 0.583 277 D N 0.387 120.840 120.400 0.089 0.000 2.221 277 D HA -0.106 4.456 4.640 -0.129 0.000 0.204 277 D C 1.845 178.196 176.300 0.085 0.000 0.982 277 D CA 1.441 55.479 54.000 0.064 0.000 0.857 277 D CB 0.073 40.897 40.800 0.040 0.000 0.934 277 D HN 0.420 nan 8.370 nan 0.000 0.475 278 G N 0.497 109.382 108.800 0.141 0.000 2.422 278 G HA2 -0.163 3.720 3.960 -0.129 0.000 0.218 278 G HA3 -0.163 3.720 3.960 -0.129 0.000 0.218 278 G C 1.723 176.703 174.900 0.133 0.000 1.140 278 G CA 0.151 45.351 45.100 0.168 0.000 0.775 278 G HN 0.262 nan 8.290 nan 0.000 0.545 279 L N 0.286 121.576 121.223 0.112 0.000 2.056 279 L HA -0.064 4.199 4.340 -0.129 0.000 0.207 279 L C 2.962 179.845 176.870 0.022 0.000 1.078 279 L CA 0.454 55.304 54.840 0.017 0.000 0.749 279 L CB -0.593 41.459 42.059 -0.012 0.000 0.901 279 L HN 0.076 nan 8.230 nan 0.000 0.433 280 V N 0.161 120.095 119.914 0.034 0.000 2.343 280 V HA -0.309 3.733 4.120 -0.129 0.000 0.247 280 V C 2.507 178.606 176.094 0.009 0.000 1.051 280 V CA 2.088 64.397 62.300 0.016 0.000 1.036 280 V CB -0.541 31.291 31.823 0.016 0.000 0.654 280 V HN 0.527 nan 8.190 nan 0.000 0.451 281 E N 0.455 120.670 120.200 0.025 0.000 2.031 281 E HA -0.246 4.027 4.350 -0.129 0.000 0.193 281 E C 2.235 178.844 176.600 0.015 0.000 0.994 281 E CA 1.548 57.962 56.400 0.023 0.000 0.800 281 E CB -0.256 29.468 29.700 0.039 0.000 0.752 281 E HN 0.544 nan 8.360 nan 0.000 0.447 282 A N 0.514 123.351 122.820 0.028 0.000 1.933 282 A HA -0.163 4.079 4.320 -0.129 0.000 0.218 282 A C 2.338 179.877 177.584 -0.075 0.000 1.175 282 A CA 1.783 53.836 52.037 0.027 0.000 0.628 282 A CB -0.808 18.263 19.000 0.118 0.000 0.814 282 A HN 0.355 nan 8.150 nan 0.000 0.444 283 S N -0.454 115.191 115.700 -0.092 0.000 2.382 283 S HA -0.055 4.338 4.470 -0.129 0.000 0.228 283 S C 2.043 176.582 174.600 -0.103 0.000 1.027 283 S CA 1.730 59.845 58.200 -0.142 0.000 0.991 283 S CB -0.708 62.436 63.200 -0.094 0.000 0.823 283 S HN 0.709 nan 8.310 nan 0.000 0.469 284 G N 0.835 109.602 108.800 -0.055 0.000 2.440 284 G HA2 -0.124 3.758 3.960 -0.129 0.000 0.218 284 G HA3 -0.124 3.758 3.960 -0.129 0.000 0.218 284 G C 1.681 176.555 174.900 -0.043 0.000 1.154 284 G CA 1.035 46.112 45.100 -0.038 0.000 0.767 284 G HN 0.706 nan 8.290 nan 0.000 0.552 285 A N 0.566 123.361 122.820 -0.042 0.000 1.933 285 A HA 0.079 4.321 4.320 -0.129 0.000 0.218 285 A C 2.443 179.989 177.584 -0.064 0.000 1.175 285 A CA 1.355 53.372 52.037 -0.034 0.000 0.628 285 A CB -0.366 18.630 19.000 -0.006 0.000 0.814 285 A HN 0.372 nan 8.150 nan 0.000 0.444 286 L N -1.151 119.992 121.223 -0.133 0.000 2.093 286 L HA -0.141 4.122 4.340 -0.129 0.000 0.208 286 L C 2.807 179.610 176.870 -0.112 0.000 1.085 286 L CA 1.310 56.045 54.840 -0.174 0.000 0.755 286 L CB -0.617 41.237 42.059 -0.342 0.000 0.904 286 L HN 0.380 nan 8.230 nan 0.000 0.435 287 R N 0.483 120.928 120.500 -0.093 0.000 2.075 287 R HA -0.121 4.142 4.340 -0.129 0.000 0.232 287 R C 2.085 178.360 176.300 -0.041 0.000 1.126 287 R CA 2.055 58.118 56.100 -0.062 0.000 0.963 287 R CB -0.657 29.613 30.300 -0.050 0.000 0.858 287 R HN 0.278 nan 8.270 nan 0.000 0.435 288 T N 1.659 116.193 114.554 -0.033 0.000 2.720 288 T HA -0.101 4.171 4.350 -0.129 0.000 0.268 288 T C 2.014 176.706 174.700 -0.013 0.000 1.037 288 T CA 1.623 63.712 62.100 -0.018 0.000 1.144 288 T CB -0.180 68.683 68.868 -0.009 0.000 0.864 288 T HN 0.215 nan 8.240 nan 0.000 0.444 289 I N 1.401 121.960 120.570 -0.018 0.000 2.264 289 I HA -0.201 3.891 4.170 -0.129 0.000 0.248 289 I C 2.888 178.996 176.117 -0.015 0.000 1.111 289 I CA 1.087 62.382 61.300 -0.008 0.000 1.382 289 I CB -0.459 37.536 38.000 -0.008 0.000 1.060 289 I HN 0.201 nan 8.210 nan 0.000 0.418 290 A N 0.230 123.030 122.820 -0.034 0.000 1.933 290 A HA -0.151 4.091 4.320 -0.129 0.000 0.218 290 A C 2.447 180.012 177.584 -0.033 0.000 1.175 290 A CA 1.688 53.701 52.037 -0.040 0.000 0.628 290 A CB -0.904 18.066 19.000 -0.050 0.000 0.814 290 A HN 0.244 nan 8.150 nan 0.000 0.444 291 V N -0.212 119.688 119.914 -0.023 0.000 2.295 291 V HA -0.216 3.827 4.120 -0.129 0.000 0.246 291 V C 2.820 178.909 176.094 -0.008 0.000 1.049 291 V CA 2.332 64.623 62.300 -0.015 0.000 1.024 291 V CB -0.716 31.101 31.823 -0.009 0.000 0.648 291 V HN 0.577 nan 8.190 nan 0.000 0.447 292 S N 0.038 115.738 115.700 0.001 0.000 2.356 292 S HA -0.139 4.254 4.470 -0.129 0.000 0.223 292 S C 1.901 176.504 174.600 0.004 0.000 1.032 292 S CA 1.541 59.750 58.200 0.015 0.000 1.005 292 S CB -0.384 62.834 63.200 0.030 0.000 0.867 292 S HN 0.456 nan 8.310 nan 0.000 0.449 293 L N 1.037 122.258 121.223 -0.003 0.000 2.131 293 L HA -0.121 4.142 4.340 -0.129 0.000 0.210 293 L C 2.625 179.454 176.870 -0.068 0.000 1.092 293 L CA 1.078 55.907 54.840 -0.018 0.000 0.759 293 L CB -1.029 41.009 42.059 -0.036 0.000 0.903 293 L HN 0.324 nan 8.230 nan 0.000 0.435 294 T N -0.678 113.841 114.554 -0.058 0.000 2.708 294 T HA -0.220 4.052 4.350 -0.129 0.000 0.266 294 T C 1.898 176.571 174.700 -0.045 0.000 1.037 294 T CA 1.556 63.620 62.100 -0.060 0.000 1.146 294 T CB -0.096 68.749 68.868 -0.038 0.000 0.865 294 T HN 0.100 nan 8.240 nan 0.000 0.435 295 K N 1.467 121.850 120.400 -0.029 0.000 2.002 295 K HA 0.015 4.258 4.320 -0.129 0.000 0.209 295 K C 2.008 178.548 176.600 -0.100 0.000 1.048 295 K CA 1.434 57.709 56.287 -0.020 0.000 0.930 295 K CB -0.839 31.670 32.500 0.015 0.000 0.714 295 K HN 0.378 nan 8.250 nan 0.000 0.438 296 I N 0.501 120.962 120.570 -0.182 0.000 2.179 296 I HA -0.244 3.848 4.170 -0.129 0.000 0.242 296 I C 2.354 178.329 176.117 -0.236 0.000 1.088 296 I CA 1.345 62.360 61.300 -0.475 0.000 1.357 296 I CB -0.471 37.320 38.000 -0.348 0.000 1.051 296 I HN 0.271 nan 8.210 nan 0.000 0.409 297 A N 0.749 123.522 122.820 -0.077 0.000 1.933 297 A HA -0.202 4.040 4.320 -0.129 0.000 0.218 297 A C 2.096 179.660 177.584 -0.034 0.000 1.175 297 A CA 1.844 53.840 52.037 -0.069 0.000 0.628 297 A CB -0.646 18.163 19.000 -0.319 0.000 0.814 297 A HN 0.394 nan 8.150 nan 0.000 0.444 298 N N 0.504 119.193 118.700 -0.019 0.000 2.084 298 N HA -0.130 4.533 4.740 -0.129 0.000 0.190 298 N C 1.201 176.821 175.510 0.183 0.000 1.030 298 N CA 1.600 54.698 53.050 0.081 0.000 0.849 298 N CB -0.471 38.090 38.487 0.123 0.000 1.012 298 N HN 0.416 nan 8.380 nan 0.000 0.423 299 D N 0.676 121.141 120.400 0.108 0.000 2.123 299 D HA -0.066 4.497 4.640 -0.129 0.000 0.196 299 D C 2.105 178.512 176.300 0.178 0.000 0.992 299 D CA 0.543 54.639 54.000 0.161 0.000 0.833 299 D CB -0.284 40.579 40.800 0.105 0.000 0.954 299 D HN 0.283 nan 8.370 nan 0.000 0.455 300 I N 1.012 121.635 120.570 0.090 0.000 2.179 300 I HA -0.278 3.815 4.170 -0.129 0.000 0.242 300 I C 2.512 178.722 176.117 0.156 0.000 1.088 300 I CA 1.232 62.634 61.300 0.170 0.000 1.357 300 I CB -0.185 37.940 38.000 0.207 0.000 1.051 300 I HN 0.054 nan 8.210 nan 0.000 0.409 301 R N -0.012 120.534 120.500 0.077 0.000 2.115 301 R HA -0.159 4.104 4.340 -0.129 0.000 0.230 301 R C 1.990 178.247 176.300 -0.073 0.000 1.111 301 R CA 1.232 57.312 56.100 -0.034 0.000 0.976 301 R CB -0.979 29.234 30.300 -0.145 0.000 0.870 301 R HN 0.333 nan 8.270 nan 0.000 0.445 302 W N 1.488 122.817 121.300 0.047 0.000 2.358 302 W HA 0.037 4.615 4.660 -0.137 0.000 0.303 302 W C 2.429 178.984 176.519 0.061 0.000 1.208 302 W CA 0.878 58.251 57.345 0.046 0.000 1.274 302 W CB -0.087 29.396 29.460 0.038 0.000 1.138 302 W HN -0.017 nan 8.180 nan 0.000 0.515 303 M N -0.419 119.367 119.600 0.309 0.000 2.279 303 M HA -0.067 4.335 4.480 -0.129 0.000 0.264 303 M C 2.102 178.503 176.300 0.169 0.000 1.062 303 M CA 1.750 57.187 55.300 0.228 0.000 1.099 303 M CB -0.890 31.851 32.600 0.235 0.000 1.394 303 M HN 0.149 nan 8.290 nan 0.000 0.426 304 G N -0.049 108.836 108.800 0.141 0.000 2.880 304 G HA2 -0.003 3.879 3.960 -0.129 0.000 0.209 304 G HA3 -0.003 3.879 3.960 -0.129 0.000 0.209 304 G C 0.570 175.504 174.900 0.056 0.000 1.157 304 G CA 0.087 45.243 45.100 0.094 0.000 0.779 304 G HN 0.520 nan 8.290 nan 0.000 0.539 305 S N -0.430 115.305 115.700 0.058 0.000 2.568 305 S HA 0.579 4.972 4.470 -0.129 0.000 0.282 305 S C 0.907 175.536 174.600 0.049 0.000 1.338 305 S CA 0.478 58.682 58.200 0.007 0.000 1.045 305 S CB 1.525 64.719 63.200 -0.009 0.000 0.873 305 S HN 1.504 nan 8.310 nan 0.000 0.516 306 G N 2.394 111.205 108.800 0.018 0.000 2.637 306 G HA2 -0.114 3.768 3.960 -0.129 0.000 0.211 306 G HA3 -0.114 3.768 3.960 -0.129 0.000 0.211 306 G C -1.944 172.967 174.900 0.018 0.000 1.213 306 G CA -0.072 45.049 45.100 0.034 0.000 1.207 306 G HN 0.685 nan 8.290 nan 0.000 0.559 307 P HA 0.157 nan 4.420 nan 0.000 0.216 307 P C 2.128 179.455 177.300 0.044 0.000 1.153 307 P CA 1.058 64.180 63.100 0.035 0.000 0.844 307 P CB -0.023 31.691 31.700 0.024 0.000 0.787 308 L N 0.226 121.470 121.223 0.035 0.000 2.093 308 L HA -0.065 4.197 4.340 -0.129 0.000 0.208 308 L C 2.329 179.229 176.870 0.050 0.000 1.085 308 L CA 2.585 57.447 54.840 0.038 0.000 0.755 308 L CB -1.785 40.290 42.059 0.027 0.000 0.904 308 L HN 0.206 nan 8.230 nan 0.000 0.435 309 T N -3.995 110.591 114.554 0.054 0.000 3.129 309 T HA 0.234 4.507 4.350 -0.129 0.000 0.251 309 T C 0.872 175.637 174.700 0.108 0.000 1.117 309 T CA 0.317 62.459 62.100 0.069 0.000 1.034 309 T CB 0.249 69.152 68.868 0.058 0.000 0.968 309 T HN 0.266 nan 8.240 nan 0.000 0.526 310 G N 0.472 109.341 108.800 0.114 0.000 3.212 310 G HA2 0.585 4.467 3.960 -0.129 0.000 0.188 310 G HA3 0.585 4.467 3.960 -0.129 0.000 0.188 310 G C 0.314 175.313 174.900 0.165 0.000 1.254 310 G CA -0.802 44.406 45.100 0.180 0.000 0.957 310 G HN 0.247 nan 8.290 nan 0.000 0.596 311 L N 0.314 121.657 121.223 0.200 0.000 2.307 311 L HA 0.293 4.555 4.340 -0.129 0.000 0.211 311 L C 2.057 178.998 176.870 0.120 0.000 1.099 311 L CA 0.822 55.754 54.840 0.154 0.000 0.816 311 L CB -0.356 41.814 42.059 0.185 0.000 0.952 311 L HN 0.729 nan 8.230 nan 0.000 0.455 312 A N 0.860 123.750 122.820 0.117 0.000 2.640 312 A HA -0.256 3.986 4.320 -0.129 0.000 0.300 312 A C 1.393 179.031 177.584 0.090 0.000 1.499 312 A CA 1.222 53.316 52.037 0.094 0.000 0.759 312 A CB -1.646 17.406 19.000 0.087 0.000 1.048 312 A HN 0.616 nan 8.150 nan 0.000 0.450 313 E N -1.001 119.249 120.200 0.083 0.000 2.166 313 E HA 0.203 4.475 4.350 -0.129 0.000 0.192 313 E C 1.108 177.708 176.600 -0.000 0.000 0.967 313 E CA 1.147 57.572 56.400 0.042 0.000 0.840 313 E CB 0.125 29.851 29.700 0.044 0.000 0.795 313 E HN 1.059 nan 8.360 nan 0.000 0.470 314 I N -2.427 118.169 120.570 0.043 0.000 3.074 314 I HA 0.404 4.496 4.170 -0.129 0.000 0.310 314 I C -1.003 175.167 176.117 0.088 0.000 1.153 314 I CA -1.096 60.233 61.300 0.048 0.000 0.993 314 I CB 2.227 40.294 38.000 0.112 0.000 1.237 314 I HN -0.317 nan 8.210 nan 0.000 0.443 315 Q N 3.016 122.877 119.800 0.102 0.000 2.333 315 Q HA 0.517 4.780 4.340 -0.129 0.000 0.265 315 Q C -1.237 174.831 176.000 0.113 0.000 0.989 315 Q CA -0.852 55.007 55.803 0.092 0.000 0.842 315 Q CB 2.413 31.193 28.738 0.070 0.000 1.262 315 Q HN 0.566 nan 8.270 nan 0.000 0.451 316 L N 4.780 126.063 121.223 0.100 0.000 2.395 316 L HA 0.365 4.627 4.340 -0.129 0.000 0.269 316 L C -2.027 174.887 176.870 0.073 0.000 1.133 316 L CA -1.431 53.470 54.840 0.101 0.000 0.812 316 L CB 0.035 42.152 42.059 0.097 0.000 1.125 316 L HN 0.369 nan 8.230 nan 0.000 0.452 317 P HA 0.003 nan 4.420 nan 0.000 0.268 317 P C -0.917 176.408 177.300 0.042 0.000 1.204 317 P CA -0.259 62.869 63.100 0.048 0.000 0.768 317 P CB 0.354 32.079 31.700 0.042 0.000 0.842 318 D N 3.213 123.632 120.400 0.032 0.000 2.343 318 D HA 0.162 4.725 4.640 -0.129 0.000 0.255 318 D C -0.357 175.956 176.300 0.022 0.000 1.187 318 D CA 0.341 54.356 54.000 0.025 0.000 0.875 318 D CB 0.214 41.026 40.800 0.019 0.000 1.136 318 D HN 0.181 nan 8.370 nan 0.000 0.469 326 M N 1.465 121.066 119.600 0.001 0.000 2.598 326 M HA 0.740 5.143 4.480 -0.129 0.000 0.317 326 M C -2.084 174.217 176.300 0.001 0.000 1.201 326 M CA -1.416 53.885 55.300 0.001 0.000 0.971 326 M CB 1.397 33.998 32.600 0.001 0.000 1.657 326 M HN 0.357 nan 8.290 nan 0.000 0.470 327 P HA 0.054 nan 4.420 nan 0.000 0.266 327 P C -0.468 176.833 177.300 0.003 0.000 1.180 327 P CA -0.012 63.089 63.100 0.001 0.000 0.765 327 P CB 0.080 31.780 31.700 0.000 0.000 0.806 328 G N 1.778 110.580 108.800 0.004 0.000 2.305 328 G HA2 0.233 4.116 3.960 -0.129 0.000 0.243 328 G HA3 0.233 4.116 3.960 -0.129 0.000 0.243 328 G C -0.356 174.548 174.900 0.007 0.000 1.288 328 G CA -0.197 44.907 45.100 0.007 0.000 0.901 328 G HN 0.558 nan 8.290 nan 0.000 0.516 329 K N 2.619 123.022 120.400 0.006 0.000 2.803 329 K HA 0.308 4.551 4.320 -0.129 0.000 0.229 329 K C -0.877 175.724 176.600 0.002 0.000 1.084 329 K CA -0.537 55.752 56.287 0.003 0.000 1.063 329 K CB 1.338 33.837 32.500 -0.001 0.000 1.254 329 K HN 0.306 nan 8.250 nan 0.000 0.551 330 V N 3.697 123.614 119.914 0.006 0.000 2.432 330 V HA 0.156 4.199 4.120 -0.129 0.000 0.271 330 V C 0.250 176.342 176.094 -0.003 0.000 1.046 330 V CA -0.791 61.514 62.300 0.007 0.000 0.945 330 V CB 0.805 32.640 31.823 0.020 0.000 0.992 330 V HN 0.629 nan 8.190 nan 0.000 0.471 331 N N 7.061 125.755 118.700 -0.010 0.000 2.492 331 N HA 0.191 4.853 4.740 -0.129 0.000 0.262 331 N C -2.090 173.409 175.510 -0.018 0.000 1.202 331 N CA -1.406 51.630 53.050 -0.024 0.000 0.926 331 N CB 0.913 39.383 38.487 -0.028 0.000 1.078 331 N HN 0.431 nan 8.380 nan 0.000 0.454 332 P HA 0.021 nan 4.420 nan 0.000 0.230 332 P C 1.136 178.420 177.300 -0.026 0.000 1.791 332 P CA -0.182 62.906 63.100 -0.019 0.000 1.020 332 P CB -0.208 31.463 31.700 -0.049 0.000 1.977 333 V N -0.131 119.776 119.914 -0.012 0.000 2.427 333 V HA -0.217 3.826 4.120 -0.129 0.000 0.248 333 V C 2.032 178.109 176.094 -0.028 0.000 1.051 333 V CA 1.189 63.476 62.300 -0.022 0.000 1.048 333 V CB -1.394 30.422 31.823 -0.011 0.000 0.666 333 V HN 0.117 nan 8.190 nan 0.000 0.456 334 L N -0.144 121.082 121.223 0.004 0.000 2.056 334 L HA 0.005 4.267 4.340 -0.129 0.000 0.207 334 L C 0.337 177.118 176.870 -0.150 0.000 1.078 334 L CA 1.683 56.519 54.840 -0.007 0.000 0.749 334 L CB -1.694 40.442 42.059 0.128 0.000 0.901 334 L HN 0.342 nan 8.230 nan 0.000 0.433 335 P HA -0.178 nan 4.420 nan 0.000 0.216 335 P C 1.217 178.389 177.300 -0.213 0.000 1.150 335 P CA 1.305 64.260 63.100 -0.242 0.000 0.837 335 P CB 0.070 31.716 31.700 -0.089 0.000 0.786 336 E N -0.525 119.592 120.200 -0.139 0.000 2.072 336 E HA -0.137 4.136 4.350 -0.129 0.000 0.191 336 E C 2.109 178.638 176.600 -0.119 0.000 0.985 336 E CA 1.181 57.511 56.400 -0.116 0.000 0.801 336 E CB -0.565 29.084 29.700 -0.086 0.000 0.750 336 E HN 0.144 nan 8.360 nan 0.000 0.452 337 A N 0.930 123.679 122.820 -0.118 0.000 1.933 337 A HA -0.145 4.097 4.320 -0.129 0.000 0.218 337 A C 2.487 179.979 177.584 -0.153 0.000 1.175 337 A CA 1.146 53.117 52.037 -0.110 0.000 0.628 337 A CB -0.607 18.345 19.000 -0.080 0.000 0.814 337 A HN 0.116 nan 8.150 nan 0.000 0.444 338 V N 0.602 120.362 119.914 -0.256 0.000 2.358 338 V HA -0.228 3.815 4.120 -0.129 0.000 0.246 338 V C 2.978 178.941 176.094 -0.219 0.000 1.047 338 V CA 2.431 64.540 62.300 -0.318 0.000 1.035 338 V CB -1.332 30.091 31.823 -0.666 0.000 0.658 338 V HN 0.840 nan 8.190 nan 0.000 0.452 339 T N -2.268 112.168 114.554 -0.196 0.000 2.904 339 T HA -0.200 4.072 4.350 -0.129 0.000 0.267 339 T C 1.776 176.419 174.700 -0.096 0.000 1.059 339 T CA 1.227 63.247 62.100 -0.133 0.000 1.137 339 T CB -0.266 68.535 68.868 -0.112 0.000 0.879 339 T HN 0.499 nan 8.240 nan 0.000 0.467 340 Q N 0.484 120.228 119.800 -0.093 0.000 2.079 340 Q HA -0.011 4.252 4.340 -0.129 0.000 0.200 340 Q C 2.619 178.580 176.000 -0.065 0.000 0.974 340 Q CA 1.272 57.034 55.803 -0.069 0.000 0.840 340 Q CB -0.422 28.278 28.738 -0.063 0.000 0.898 340 Q HN 0.395 nan 8.270 nan 0.000 0.430 341 V N 1.035 120.904 119.914 -0.076 0.000 2.287 341 V HA -0.320 3.723 4.120 -0.129 0.000 0.248 341 V C 2.281 178.336 176.094 -0.065 0.000 1.053 341 V CA 1.935 64.196 62.300 -0.066 0.000 1.027 341 V CB -0.954 30.827 31.823 -0.070 0.000 0.646 341 V HN 0.427 nan 8.190 nan 0.000 0.447 342 A N -0.151 122.624 122.820 -0.075 0.000 1.908 342 A HA -0.187 4.055 4.320 -0.129 0.000 0.218 342 A C 2.433 179.985 177.584 -0.054 0.000 1.181 342 A CA 2.309 54.307 52.037 -0.066 0.000 0.627 342 A CB -0.872 18.086 19.000 -0.071 0.000 0.818 342 A HN 0.609 nan 8.150 nan 0.000 0.445 343 A N -1.134 121.655 122.820 -0.051 0.000 1.908 343 A HA -0.223 4.019 4.320 -0.129 0.000 0.218 343 A C 2.151 179.712 177.584 -0.038 0.000 1.181 343 A CA 2.198 54.211 52.037 -0.040 0.000 0.627 343 A CB -0.548 18.429 19.000 -0.038 0.000 0.818 343 A HN 0.544 nan 8.150 nan 0.000 0.445 344 Q N -0.163 119.613 119.800 -0.041 0.000 2.084 344 Q HA -0.112 4.151 4.340 -0.129 0.000 0.202 344 Q C 1.895 177.870 176.000 -0.041 0.000 0.978 344 Q CA 2.119 57.900 55.803 -0.037 0.000 0.844 344 Q CB -0.577 28.141 28.738 -0.035 0.000 0.898 344 Q HN 0.361 nan 8.270 nan 0.000 0.426 345 V N 0.389 120.273 119.914 -0.051 0.000 2.343 345 V HA -0.243 3.799 4.120 -0.129 0.000 0.247 345 V C 2.146 178.207 176.094 -0.055 0.000 1.051 345 V CA 1.334 63.595 62.300 -0.064 0.000 1.036 345 V CB -0.605 31.171 31.823 -0.078 0.000 0.654 345 V HN 0.381 nan 8.190 nan 0.000 0.451 346 I N 1.228 121.772 120.570 -0.044 0.000 2.163 346 I HA -0.189 3.904 4.170 -0.129 0.000 0.243 346 I C 2.642 178.743 176.117 -0.025 0.000 1.085 346 I CA 2.183 63.463 61.300 -0.033 0.000 1.347 346 I CB -1.983 36.001 38.000 -0.027 0.000 1.044 346 I HN 0.379 nan 8.210 nan 0.000 0.408 347 G N 0.902 109.686 108.800 -0.027 0.000 2.421 347 G HA2 -0.261 3.622 3.960 -0.129 0.000 0.216 347 G HA3 -0.261 3.622 3.960 -0.129 0.000 0.216 347 G C 1.490 176.378 174.900 -0.019 0.000 1.171 347 G CA 0.678 45.764 45.100 -0.024 0.000 0.775 347 G HN 0.329 nan 8.290 nan 0.000 0.543 348 N N 0.765 119.451 118.700 -0.023 0.000 2.149 348 N HA -0.088 4.574 4.740 -0.129 0.000 0.188 348 N C 1.791 177.292 175.510 -0.016 0.000 1.019 348 N CA 1.430 54.469 53.050 -0.018 0.000 0.857 348 N CB -0.430 38.037 38.487 -0.033 0.000 0.997 348 N HN 0.462 nan 8.380 nan 0.000 0.426 349 D N 0.007 120.391 120.400 -0.028 0.000 2.144 349 D HA -0.032 4.530 4.640 -0.129 0.000 0.199 349 D C 1.723 178.030 176.300 0.012 0.000 0.984 349 D CA 1.283 55.270 54.000 -0.023 0.000 0.834 349 D CB -0.081 40.697 40.800 -0.037 0.000 0.955 349 D HN 0.248 nan 8.370 nan 0.000 0.465 350 A N 0.360 123.193 122.820 0.020 0.000 1.930 350 A HA 0.093 4.335 4.320 -0.129 0.000 0.217 350 A C 2.372 180.011 177.584 0.092 0.000 1.175 350 A CA 1.888 53.959 52.037 0.057 0.000 0.627 350 A CB -1.009 18.014 19.000 0.038 0.000 0.815 350 A HN 0.336 nan 8.150 nan 0.000 0.443 351 A N -0.502 122.347 122.820 0.048 0.000 1.898 351 A HA 0.020 4.262 4.320 -0.129 0.000 0.216 351 A C 2.219 179.871 177.584 0.113 0.000 1.181 351 A CA 1.707 53.782 52.037 0.064 0.000 0.620 351 A CB -0.911 18.110 19.000 0.034 0.000 0.819 351 A HN 0.362 nan 8.150 nan 0.000 0.442 352 V N -0.078 119.879 119.914 0.073 0.000 2.287 352 V HA -0.279 3.764 4.120 -0.129 0.000 0.248 352 V C 3.069 179.204 176.094 0.069 0.000 1.053 352 V CA 2.089 64.426 62.300 0.063 0.000 1.027 352 V CB -1.257 30.578 31.823 0.022 0.000 0.646 352 V HN 0.617 nan 8.190 nan 0.000 0.447 353 A N -0.645 122.217 122.820 0.070 0.000 1.902 353 A HA -0.255 3.988 4.320 -0.129 0.000 0.217 353 A C 2.135 179.751 177.584 0.054 0.000 1.181 353 A CA 1.739 53.805 52.037 0.048 0.000 0.623 353 A CB -0.784 18.243 19.000 0.044 0.000 0.818 353 A HN 0.741 nan 8.150 nan 0.000 0.443 354 W N 0.840 122.091 121.300 -0.082 0.000 2.335 354 W HA -0.174 4.408 4.660 -0.130 0.000 0.311 354 W C 2.135 178.490 176.519 -0.273 0.000 1.213 354 W CA 2.093 59.362 57.345 -0.126 0.000 1.274 354 W CB -0.842 28.575 29.460 -0.071 0.000 1.148 354 W HN 0.355 nan 8.180 nan 0.000 0.498 355 G N 0.330 109.166 108.800 0.060 0.000 2.440 355 G HA2 -0.249 3.634 3.960 -0.129 0.000 0.218 355 G HA3 -0.249 3.634 3.960 -0.129 0.000 0.218 355 G C 1.730 176.446 174.900 -0.306 0.000 1.154 355 G CA 1.385 46.318 45.100 -0.279 0.000 0.767 355 G HN 0.429 nan 8.290 nan 0.000 0.552 356 G N 0.843 109.582 108.800 -0.102 0.000 2.432 356 G HA2 0.091 3.974 3.960 -0.129 0.000 0.219 356 G HA3 0.091 3.974 3.960 -0.129 0.000 0.219 356 G C 1.898 176.723 174.900 -0.123 0.000 1.135 356 G CA 1.344 46.406 45.100 -0.062 0.000 0.767 356 G HN 0.664 nan 8.290 nan 0.000 0.550 357 A N 0.298 122.995 122.820 -0.205 0.000 2.119 357 A HA 0.105 4.347 4.320 -0.129 0.000 0.216 357 A C 1.748 179.186 177.584 -0.243 0.000 1.152 357 A CA 0.704 52.609 52.037 -0.221 0.000 0.708 357 A CB -0.057 18.776 19.000 -0.279 0.000 0.805 357 A HN 0.310 nan 8.150 nan 0.000 0.460 358 N N 0.493 118.996 118.700 -0.328 0.000 2.321 358 N HA 0.129 4.792 4.740 -0.129 0.000 0.242 358 N C 0.639 176.155 175.510 0.009 0.000 1.141 358 N CA 0.378 53.271 53.050 -0.263 0.000 0.864 358 N CB 0.583 38.776 38.487 -0.489 0.000 1.100 358 N HN 0.389 nan 8.380 nan 0.000 0.510 359 G N 0.291 109.104 108.800 0.022 0.000 2.664 359 G HA2 0.443 4.325 3.960 -0.129 0.000 0.242 359 G HA3 0.443 4.325 3.960 -0.129 0.000 0.242 359 G C -0.525 174.414 174.900 0.065 0.000 1.225 359 G CA -0.187 44.977 45.100 0.106 0.000 0.849 359 G HN 0.200 nan 8.290 nan 0.000 0.581 360 A N 0.049 122.929 122.820 0.099 0.000 2.408 360 A HA 0.749 4.991 4.320 -0.129 0.000 0.295 360 A C 0.011 177.694 177.584 0.165 0.000 1.040 360 A CA -0.498 51.584 52.037 0.075 0.000 0.707 360 A CB 0.609 19.733 19.000 0.206 0.000 1.235 360 A HN 1.117 nan 8.150 nan 0.000 0.418 361 F N 0.231 120.210 119.950 0.049 0.000 2.756 361 F HA -0.347 4.103 4.527 -0.129 0.000 0.240 361 F C 1.678 177.520 175.800 0.071 0.000 1.487 361 F CA 2.314 60.343 58.000 0.048 0.000 1.859 361 F CB -0.814 38.210 39.000 0.040 0.000 1.319 361 F HN 0.601 nan 8.300 nan 0.000 0.230 362 E N 0.293 120.679 120.200 0.309 0.000 2.502 362 E HA 0.303 4.576 4.350 -0.129 0.000 0.194 362 E C -0.429 176.276 176.600 0.175 0.000 1.062 362 E CA 0.463 57.000 56.400 0.229 0.000 0.867 362 E CB 0.148 29.976 29.700 0.214 0.000 0.888 362 E HN 0.283 nan 8.360 nan 0.000 0.510 363 L N 0.588 121.909 121.223 0.164 0.000 2.543 363 L HA 0.361 4.623 4.340 -0.129 0.000 0.265 363 L C -1.513 175.441 176.870 0.140 0.000 0.945 363 L CA -0.565 54.356 54.840 0.135 0.000 0.869 363 L CB 1.780 43.907 42.059 0.115 0.000 1.294 363 L HN -0.195 nan 8.230 nan 0.000 0.405 364 N N 3.681 122.466 118.700 0.142 0.000 2.422 364 N HA 0.250 4.913 4.740 -0.129 0.000 0.264 364 N C -0.221 175.402 175.510 0.190 0.000 1.063 364 N CA -0.081 53.082 53.050 0.188 0.000 0.959 364 N CB 1.579 40.172 38.487 0.176 0.000 1.087 364 N HN 0.528 nan 8.380 nan 0.000 0.483 365 V N 2.585 122.612 119.914 0.189 0.000 2.908 365 V HA 0.365 4.408 4.120 -0.129 0.000 0.369 365 V C -0.670 175.313 176.094 -0.185 0.000 1.259 365 V CA -0.359 61.944 62.300 0.004 0.000 1.406 365 V CB -1.281 30.499 31.823 -0.072 0.000 1.475 365 V HN 0.493 nan 8.190 nan 0.000 0.587 366 Y N -0.462 119.875 120.300 0.061 0.000 2.706 366 Y HA 0.508 4.981 4.550 -0.129 0.000 0.255 366 Y C 1.594 177.530 175.900 0.059 0.000 1.163 366 Y CA -0.677 57.462 58.100 0.066 0.000 1.174 366 Y CB 0.173 38.694 38.460 0.103 0.000 1.200 366 Y HN 0.289 nan 8.280 nan 0.000 0.544 367 I N 0.771 121.439 120.570 0.164 0.000 2.179 367 I HA -0.169 3.924 4.170 -0.129 0.000 0.242 367 I C -0.632 175.616 176.117 0.219 0.000 1.088 367 I CA 1.020 62.453 61.300 0.221 0.000 1.357 367 I CB -1.389 36.809 38.000 0.330 0.000 1.051 367 I HN 0.094 nan 8.210 nan 0.000 0.409 368 P HA -0.197 nan 4.420 nan 0.000 0.216 368 P C 1.915 179.164 177.300 -0.086 0.000 1.153 368 P CA 1.376 64.490 63.100 0.024 0.000 0.848 368 P CB -0.136 31.408 31.700 -0.259 0.000 0.787 369 M N -1.170 118.352 119.600 -0.130 0.000 2.086 369 M HA -0.133 4.270 4.480 -0.129 0.000 0.261 369 M C 1.924 178.231 176.300 0.012 0.000 1.067 369 M CA 2.038 57.264 55.300 -0.123 0.000 1.116 369 M CB -1.049 31.579 32.600 0.047 0.000 1.348 369 M HN -0.066 nan 8.290 nan 0.000 0.407 370 M N -0.114 119.537 119.600 0.086 0.000 2.117 370 M HA -0.167 4.235 4.480 -0.129 0.000 0.262 370 M C 2.290 178.613 176.300 0.039 0.000 1.065 370 M CA 1.898 57.246 55.300 0.080 0.000 1.114 370 M CB -0.749 31.916 32.600 0.108 0.000 1.361 370 M HN 0.424 nan 8.290 nan 0.000 0.408 371 A N 0.444 123.290 122.820 0.043 0.000 1.877 371 A HA -0.212 4.031 4.320 -0.129 0.000 0.216 371 A C 2.187 179.769 177.584 -0.004 0.000 1.186 371 A CA 1.950 53.994 52.037 0.011 0.000 0.620 371 A CB -0.837 18.183 19.000 0.034 0.000 0.822 371 A HN 0.486 nan 8.150 nan 0.000 0.443 372 R N -0.229 120.259 120.500 -0.021 0.000 2.096 372 R HA -0.183 4.080 4.340 -0.129 0.000 0.240 372 R C 1.879 178.172 176.300 -0.012 0.000 1.139 372 R CA 1.968 58.047 56.100 -0.036 0.000 0.952 372 R CB -0.411 29.834 30.300 -0.092 0.000 0.854 372 R HN 0.616 nan 8.270 nan 0.000 0.436 373 N N 0.595 119.293 118.700 -0.004 0.000 2.135 373 N HA -0.144 4.519 4.740 -0.129 0.000 0.186 373 N C 1.991 177.490 175.510 -0.019 0.000 1.027 373 N CA 1.285 54.334 53.050 -0.002 0.000 0.849 373 N CB -0.138 38.355 38.487 0.011 0.000 1.002 373 N HN 0.296 nan 8.380 nan 0.000 0.425 374 I N 1.519 122.080 120.570 -0.014 0.000 2.252 374 I HA -0.204 3.888 4.170 -0.129 0.000 0.245 374 I C 1.996 178.149 176.117 0.060 0.000 1.102 374 I CA 0.850 62.128 61.300 -0.038 0.000 1.385 374 I CB 0.060 38.055 38.000 -0.008 0.000 1.064 374 I HN 0.060 nan 8.210 nan 0.000 0.414 375 L N 0.346 121.636 121.223 0.111 0.000 2.083 375 L HA -0.234 4.028 4.340 -0.129 0.000 0.209 375 L C 2.524 179.451 176.870 0.095 0.000 1.083 375 L CA 1.550 56.484 54.840 0.157 0.000 0.752 375 L CB -0.718 41.362 42.059 0.034 0.000 0.899 375 L HN 0.342 nan 8.230 nan 0.000 0.433 376 E N 0.055 120.272 120.200 0.029 0.000 2.077 376 E HA -0.202 4.070 4.350 -0.129 0.000 0.193 376 E C 2.232 178.832 176.600 -0.001 0.000 0.989 376 E CA 1.490 57.895 56.400 0.008 0.000 0.800 376 E CB 0.132 29.830 29.700 -0.005 0.000 0.746 376 E HN 0.363 nan 8.360 nan 0.000 0.452 377 S N 0.104 115.777 115.700 -0.045 0.000 2.359 377 S HA -0.153 4.240 4.470 -0.129 0.000 0.224 377 S C 1.553 176.092 174.600 -0.102 0.000 1.035 377 S CA 1.217 59.350 58.200 -0.112 0.000 1.018 377 S CB -0.429 62.648 63.200 -0.205 0.000 0.876 377 S HN 0.276 nan 8.310 nan 0.000 0.448 378 F N 2.101 122.027 119.950 -0.041 0.000 2.091 378 F HA -0.165 4.284 4.527 -0.130 0.000 0.299 378 F C 2.840 178.612 175.800 -0.046 0.000 1.103 378 F CA 1.378 59.354 58.000 -0.040 0.000 1.228 378 F CB -1.434 37.532 39.000 -0.056 0.000 0.984 378 F HN 0.145 nan 8.300 nan 0.000 0.477 379 T N 0.769 115.404 114.554 0.134 0.000 2.674 379 T HA -0.179 4.093 4.350 -0.129 0.000 0.265 379 T C 2.228 176.947 174.700 0.031 0.000 1.039 379 T CA 1.558 63.679 62.100 0.036 0.000 1.150 379 T CB -0.649 68.214 68.868 -0.009 0.000 0.864 379 T HN 0.142 nan 8.240 nan 0.000 0.427 380 L N 0.373 121.605 121.223 0.016 0.000 2.046 380 L HA -0.067 4.196 4.340 -0.129 0.000 0.208 380 L C 2.558 179.434 176.870 0.010 0.000 1.077 380 L CA 1.207 56.049 54.840 0.003 0.000 0.747 380 L CB -0.703 41.346 42.059 -0.017 0.000 0.896 380 L HN 0.240 nan 8.230 nan 0.000 0.432 381 L N -0.904 120.328 121.223 0.016 0.000 2.056 381 L HA -0.168 4.094 4.340 -0.129 0.000 0.207 381 L C 2.674 179.582 176.870 0.064 0.000 1.078 381 L CA 1.320 56.176 54.840 0.027 0.000 0.749 381 L CB -0.793 41.274 42.059 0.013 0.000 0.901 381 L HN 0.255 nan 8.230 nan 0.000 0.433 382 T N -0.239 114.369 114.554 0.090 0.000 2.652 382 T HA -0.158 4.114 4.350 -0.129 0.000 0.267 382 T C 1.705 176.452 174.700 0.078 0.000 1.039 382 T CA 1.684 63.845 62.100 0.102 0.000 1.153 382 T CB -0.215 68.726 68.868 0.123 0.000 0.863 382 T HN 0.297 nan 8.240 nan 0.000 0.428 383 N N 0.566 119.301 118.700 0.059 0.000 2.171 383 N HA -0.012 4.651 4.740 -0.129 0.000 0.184 383 N C 1.905 177.445 175.510 0.051 0.000 1.021 383 N CA 0.540 53.620 53.050 0.050 0.000 0.854 383 N CB -0.823 37.683 38.487 0.032 0.000 0.994 383 N HN 0.141 nan 8.380 nan 0.000 0.426 384 V N 0.703 120.641 119.914 0.041 0.000 2.548 384 V HA -0.111 3.932 4.120 -0.129 0.000 0.249 384 V C 1.955 178.108 176.094 0.098 0.000 1.055 384 V CA 1.344 63.667 62.300 0.039 0.000 1.065 384 V CB -0.401 31.413 31.823 -0.016 0.000 0.681 384 V HN 0.218 nan 8.190 nan 0.000 0.462 385 S N -0.328 115.435 115.700 0.105 0.000 2.368 385 S HA -0.196 4.196 4.470 -0.129 0.000 0.225 385 S C 1.910 176.598 174.600 0.146 0.000 1.030 385 S CA 1.612 59.906 58.200 0.156 0.000 0.999 385 S CB -0.222 63.049 63.200 0.118 0.000 0.844 385 S HN 0.605 nan 8.310 nan 0.000 0.459 386 K N 0.845 121.306 120.400 0.101 0.000 2.025 386 K HA 0.008 4.251 4.320 -0.129 0.000 0.207 386 K C 2.058 178.709 176.600 0.084 0.000 1.049 386 K CA 0.997 57.330 56.287 0.076 0.000 0.933 386 K CB -0.396 32.139 32.500 0.058 0.000 0.714 386 K HN 0.280 nan 8.250 nan 0.000 0.438 387 L N 0.015 121.298 121.223 0.100 0.000 2.017 387 L HA -0.190 4.073 4.340 -0.129 0.000 0.208 387 L C 2.429 179.402 176.870 0.171 0.000 1.073 387 L CA 0.992 55.895 54.840 0.105 0.000 0.745 387 L CB -0.486 41.624 42.059 0.084 0.000 0.894 387 L HN 0.094 nan 8.230 nan 0.000 0.432 388 F N 1.001 120.957 119.950 0.010 0.000 2.126 388 F HA -0.245 4.205 4.527 -0.128 0.000 0.299 388 F C 2.406 178.220 175.800 0.022 0.000 1.096 388 F CA 1.092 59.099 58.000 0.012 0.000 1.255 388 F CB -0.618 38.384 39.000 0.003 0.000 0.997 388 F HN 0.018 nan 8.300 nan 0.000 0.479 389 A N -0.227 122.597 122.820 0.006 0.000 1.858 389 A HA -0.221 4.022 4.320 -0.129 0.000 0.216 389 A C 2.159 179.706 177.584 -0.062 0.000 1.190 389 A CA 1.929 53.905 52.037 -0.101 0.000 0.617 389 A CB -0.776 18.203 19.000 -0.035 0.000 0.827 389 A HN 0.585 nan 8.150 nan 0.000 0.443 390 Q N -1.441 118.357 119.800 -0.004 0.000 2.250 390 Q HA 0.072 4.335 4.340 -0.129 0.000 0.200 390 Q C 1.921 177.924 176.000 0.005 0.000 0.941 390 Q CA 0.707 56.507 55.803 -0.005 0.000 0.872 390 Q CB 0.141 28.883 28.738 0.008 0.000 0.965 390 Q HN 0.577 nan 8.270 nan 0.000 0.480 391 R N -1.317 119.203 120.500 0.033 0.000 2.334 391 R HA 0.171 4.433 4.340 -0.129 0.000 0.212 391 R C 1.368 177.702 176.300 0.058 0.000 0.897 391 R CA 0.122 56.248 56.100 0.044 0.000 1.056 391 R CB 0.495 30.829 30.300 0.057 0.000 1.046 391 R HN 0.188 nan 8.270 nan 0.000 0.513 392 C N -0.851 118.482 119.300 0.055 0.000 2.857 392 C HA 0.300 4.682 4.460 -0.129 0.000 0.328 392 C C 2.141 177.127 174.990 -0.007 0.000 1.957 392 C CA -0.188 58.872 59.018 0.070 0.000 2.134 392 C CB -0.445 27.420 27.740 0.209 0.000 1.814 392 C HN 0.295 nan 8.230 nan 0.000 0.703 393 I N 2.558 123.051 120.570 -0.129 0.000 2.163 393 I HA -0.127 3.966 4.170 -0.129 0.000 0.243 393 I C 2.816 178.860 176.117 -0.123 0.000 1.085 393 I CA 1.926 63.144 61.300 -0.138 0.000 1.347 393 I CB -0.430 37.417 38.000 -0.256 0.000 1.044 393 I HN 0.511 nan 8.210 nan 0.000 0.408 394 A N 0.503 123.255 122.820 -0.113 0.000 1.940 394 A HA -0.120 4.122 4.320 -0.129 0.000 0.219 394 A C 2.248 179.761 177.584 -0.118 0.000 1.176 394 A CA 1.947 53.909 52.037 -0.124 0.000 0.631 394 A CB -1.231 17.718 19.000 -0.085 0.000 0.814 394 A HN 0.487 nan 8.150 nan 0.000 0.446 395 G N -0.998 107.766 108.800 -0.061 0.000 3.284 395 G HA2 0.413 4.295 3.960 -0.129 0.000 0.236 395 G HA3 0.413 4.295 3.960 -0.129 0.000 0.236 395 G C 0.355 175.260 174.900 0.009 0.000 1.158 395 G CA -0.487 44.595 45.100 -0.029 0.000 0.774 395 G HN 0.370 nan 8.290 nan 0.000 0.545 396 L N 2.101 123.329 121.223 0.009 0.000 2.514 396 L HA 0.270 4.533 4.340 -0.129 0.000 0.280 396 L C 0.977 177.984 176.870 0.228 0.000 1.223 396 L CA 0.151 55.074 54.840 0.140 0.000 0.864 396 L CB 0.563 42.757 42.059 0.225 0.000 1.118 396 L HN 0.177 nan 8.230 nan 0.000 0.494 397 T N 0.169 114.895 114.554 0.287 0.000 2.924 397 T HA 0.866 5.138 4.350 -0.129 0.000 0.291 397 T C -0.566 174.277 174.700 0.239 0.000 1.045 397 T CA -0.748 61.542 62.100 0.316 0.000 1.015 397 T CB 2.290 71.253 68.868 0.158 0.000 1.103 397 T HN 0.742 nan 8.240 nan 0.000 0.496 398 A N 1.573 124.471 122.820 0.130 0.000 2.539 398 A HA 0.736 4.978 4.320 -0.129 0.000 0.296 398 A C -0.774 176.768 177.584 -0.069 0.000 1.073 398 A CA -0.955 51.000 52.037 -0.138 0.000 0.700 398 A CB 1.587 20.207 19.000 -0.633 0.000 1.296 398 A HN 0.788 nan 8.150 nan 0.000 0.405 399 N N 1.338 120.004 118.700 -0.057 0.000 2.558 399 N HA 0.371 5.034 4.740 -0.129 0.000 0.233 399 N C 0.992 176.487 175.510 -0.026 0.000 1.038 399 N CA 0.403 53.448 53.050 -0.008 0.000 0.934 399 N CB 1.282 39.792 38.487 0.038 0.000 1.175 399 N HN 0.675 nan 8.380 nan 0.000 0.512 400 A N 3.486 126.278 122.820 -0.046 0.000 1.877 400 A HA -0.183 4.060 4.320 -0.129 0.000 0.216 400 A C 2.056 179.626 177.584 -0.023 0.000 1.186 400 A CA 2.295 54.295 52.037 -0.062 0.000 0.620 400 A CB -0.954 18.024 19.000 -0.037 0.000 0.822 400 A HN 0.687 nan 8.150 nan 0.000 0.443 401 E N -0.809 119.398 120.200 0.011 0.000 2.058 401 E HA -0.303 3.969 4.350 -0.129 0.000 0.194 401 E C 2.049 178.683 176.600 0.058 0.000 0.997 401 E CA 1.747 58.164 56.400 0.029 0.000 0.801 401 E CB -1.176 28.545 29.700 0.036 0.000 0.746 401 E HN 0.904 nan 8.360 nan 0.000 0.450 402 H N -0.362 118.688 119.070 -0.033 0.000 2.357 402 H HA 0.060 4.543 4.556 -0.122 0.000 0.301 402 H C 2.441 177.747 175.328 -0.037 0.000 1.082 402 H CA 1.318 57.348 56.048 -0.030 0.000 1.342 402 H CB 0.028 29.774 29.762 -0.027 0.000 1.389 402 H HN 0.355 nan 8.280 nan 0.000 0.511 403 L N 0.365 121.528 121.223 -0.101 0.000 2.083 403 L HA -0.167 4.096 4.340 -0.129 0.000 0.209 403 L C 2.952 179.734 176.870 -0.146 0.000 1.083 403 L CA 1.072 55.811 54.840 -0.168 0.000 0.752 403 L CB -0.357 41.623 42.059 -0.132 0.000 0.899 403 L HN 0.243 nan 8.230 nan 0.000 0.433 404 R N 0.371 120.812 120.500 -0.097 0.000 2.066 404 R HA -0.208 4.055 4.340 -0.129 0.000 0.232 404 R C 2.239 178.493 176.300 -0.077 0.000 1.131 404 R CA 1.657 57.714 56.100 -0.071 0.000 0.955 404 R CB -0.134 30.141 30.300 -0.042 0.000 0.851 404 R HN 0.341 nan 8.270 nan 0.000 0.432 405 E N 0.412 120.561 120.200 -0.084 0.000 2.110 405 E HA -0.200 4.072 4.350 -0.129 0.000 0.193 405 E C 2.052 178.583 176.600 -0.115 0.000 0.988 405 E CA 1.181 57.537 56.400 -0.074 0.000 0.804 405 E CB -0.015 29.665 29.700 -0.033 0.000 0.745 405 E HN 0.390 nan 8.360 nan 0.000 0.458 406 L N 0.245 121.342 121.223 -0.209 0.000 2.056 406 L HA -0.142 4.121 4.340 -0.129 0.000 0.207 406 L C 2.672 179.477 176.870 -0.108 0.000 1.078 406 L CA 1.049 55.777 54.840 -0.185 0.000 0.749 406 L CB -0.451 41.444 42.059 -0.272 0.000 0.901 406 L HN 0.167 nan 8.230 nan 0.000 0.433 407 A N -0.245 122.517 122.820 -0.096 0.000 1.978 407 A HA -0.225 4.017 4.320 -0.129 0.000 0.220 407 A C 2.108 179.663 177.584 -0.048 0.000 1.170 407 A CA 1.617 53.616 52.037 -0.063 0.000 0.636 407 A CB -0.433 18.534 19.000 -0.056 0.000 0.810 407 A HN 0.464 nan 8.150 nan 0.000 0.448 408 E N -0.181 119.989 120.200 -0.050 0.000 2.478 408 E HA -0.009 4.263 4.350 -0.129 0.000 0.198 408 E C 1.144 177.726 176.600 -0.031 0.000 1.046 408 E CA 0.684 57.063 56.400 -0.035 0.000 0.870 408 E CB 0.045 29.726 29.700 -0.032 0.000 0.818 408 E HN 0.555 nan 8.360 nan 0.000 0.527 409 S N -0.117 115.560 115.700 -0.038 0.000 2.540 409 S HA 0.053 4.446 4.470 -0.129 0.000 0.218 409 S C 0.448 175.032 174.600 -0.026 0.000 0.977 409 S CA -0.271 57.911 58.200 -0.030 0.000 0.918 409 S CB 0.707 63.886 63.200 -0.035 0.000 0.806 409 S HN -0.005 nan 8.310 nan 0.000 0.496 410 S N 2.383 118.066 115.700 -0.028 0.000 2.513 410 S HA 0.308 4.701 4.470 -0.129 0.000 0.276 410 S C -1.955 172.634 174.600 -0.018 0.000 1.254 410 S CA -1.787 56.399 58.200 -0.023 0.000 1.053 410 S CB 0.942 64.126 63.200 -0.026 0.000 0.958 410 S HN -0.054 nan 8.310 nan 0.000 0.491 411 P HA -0.073 nan 4.420 nan 0.000 0.220 411 P C 1.205 178.497 177.300 -0.012 0.000 1.144 411 P CA 0.993 64.085 63.100 -0.013 0.000 0.800 411 P CB 0.051 31.744 31.700 -0.013 0.000 0.772 412 S N -0.432 115.260 115.700 -0.013 0.000 2.440 412 S HA -0.128 4.264 4.470 -0.129 0.000 0.238 412 S C 1.641 176.235 174.600 -0.011 0.000 1.010 412 S CA 1.115 59.308 58.200 -0.011 0.000 0.972 412 S CB -0.987 62.207 63.200 -0.011 0.000 0.774 412 S HN 0.397 nan 8.310 nan 0.000 0.501 413 I N -0.847 119.716 120.570 -0.012 0.000 3.883 413 I HA 0.199 4.292 4.170 -0.129 0.000 0.326 413 I C 1.655 177.766 176.117 -0.010 0.000 1.283 413 I CA 0.008 61.301 61.300 -0.011 0.000 1.161 413 I CB -0.025 37.967 38.000 -0.014 0.000 1.012 413 I HN 0.124 nan 8.210 nan 0.000 0.421 414 V N -1.466 118.443 119.914 -0.009 0.000 2.970 414 V HA -0.099 3.943 4.120 -0.129 0.000 0.260 414 V C 2.181 178.271 176.094 -0.007 0.000 1.100 414 V CA 1.964 64.260 62.300 -0.008 0.000 1.122 414 V CB -1.510 30.308 31.823 -0.008 0.000 0.721 414 V HN 0.468 nan 8.190 nan 0.000 0.483 415 T N 1.758 116.308 114.554 -0.007 0.000 2.653 415 T HA -0.112 4.161 4.350 -0.129 0.000 0.268 415 T C 0.034 174.731 174.700 -0.005 0.000 1.035 415 T CA 2.536 64.632 62.100 -0.006 0.000 1.154 415 T CB -1.583 67.281 68.868 -0.006 0.000 0.862 415 T HN 0.558 nan 8.240 nan 0.000 0.441 416 P HA 0.066 nan 4.420 nan 0.000 0.228 416 P C 1.128 178.425 177.300 -0.004 0.000 1.151 416 P CA 0.719 63.816 63.100 -0.005 0.000 0.770 416 P CB -0.356 31.341 31.700 -0.005 0.000 0.786 417 L N -1.557 119.663 121.223 -0.005 0.000 2.341 417 L HA -0.007 4.256 4.340 -0.129 0.000 0.214 417 L C 1.953 178.820 176.870 -0.004 0.000 1.115 417 L CA 0.471 55.309 54.840 -0.005 0.000 0.820 417 L CB -0.861 41.195 42.059 -0.005 0.000 0.944 417 L HN -0.058 nan 8.230 nan 0.000 0.452 418 N N 0.657 119.354 118.700 -0.004 0.000 2.091 418 N HA -0.213 4.450 4.740 -0.129 0.000 0.193 418 N C 2.072 177.579 175.510 -0.004 0.000 1.021 418 N CA 1.985 55.033 53.050 -0.004 0.000 0.862 418 N CB -0.351 38.133 38.487 -0.004 0.000 1.018 418 N HN 0.404 nan 8.380 nan 0.000 0.429 419 S N -0.872 114.826 115.700 -0.003 0.000 2.515 419 S HA 0.205 4.598 4.470 -0.129 0.000 0.231 419 S C 1.772 176.370 174.600 -0.003 0.000 0.987 419 S CA 0.671 58.869 58.200 -0.003 0.000 0.936 419 S CB 0.104 63.302 63.200 -0.003 0.000 0.766 419 S HN 0.355 nan 8.310 nan 0.000 0.528 420 A N 2.031 124.849 122.820 -0.003 0.000 1.942 420 A HA 0.471 4.714 4.320 -0.129 0.000 0.209 420 A C 2.057 179.640 177.584 -0.003 0.000 1.214 420 A CA 0.648 52.683 52.037 -0.003 0.000 0.686 420 A CB -0.347 18.651 19.000 -0.003 0.000 0.871 420 A HN 0.799 nan 8.150 nan 0.000 0.460 421 I N -4.712 115.856 120.570 -0.003 0.000 4.227 421 I HA 0.543 4.636 4.170 -0.129 0.000 0.334 421 I C 0.783 176.898 176.117 -0.003 0.000 1.341 421 I CA 0.191 61.489 61.300 -0.003 0.000 1.123 421 I CB 0.243 38.241 38.000 -0.003 0.000 1.097 421 I HN 0.408 nan 8.210 nan 0.000 0.399 422 G N 0.188 108.986 108.800 -0.003 0.000 2.731 422 G HA2 -0.287 3.595 3.960 -0.129 0.000 0.686 422 G HA3 -0.287 3.595 3.960 -0.129 0.000 0.686 422 G C 0.137 175.035 174.900 -0.004 0.000 1.395 422 G CA -0.005 45.092 45.100 -0.004 0.000 0.870 422 G HN 0.682 nan 8.290 nan 0.000 0.591 423 Y N -1.401 118.896 120.300 -0.004 0.000 2.207 423 Y HA 0.182 4.655 4.550 -0.129 0.000 0.287 423 Y C 3.103 179.000 175.900 -0.005 0.000 1.156 423 Y CA 3.203 61.300 58.100 -0.005 0.000 1.182 423 Y CB -1.401 37.056 38.460 -0.005 0.000 0.979 423 Y HN 1.964 nan 8.280 nan 0.000 0.521 424 E N 0.172 120.369 120.200 -0.005 0.000 2.031 424 E HA -0.222 4.050 4.350 -0.129 0.000 0.193 424 E C 1.828 178.425 176.600 -0.005 0.000 0.994 424 E CA 1.327 57.724 56.400 -0.005 0.000 0.800 424 E CB -0.745 28.953 29.700 -0.004 0.000 0.752 424 E HN 0.687 nan 8.360 nan 0.000 0.447 425 E N -0.081 120.116 120.200 -0.004 0.000 2.110 425 E HA -0.048 4.224 4.350 -0.129 0.000 0.193 425 E C 2.394 178.991 176.600 -0.005 0.000 0.988 425 E CA 1.254 57.652 56.400 -0.004 0.000 0.804 425 E CB -0.527 29.171 29.700 -0.004 0.000 0.745 425 E HN 0.532 nan 8.360 nan 0.000 0.458 426 A N 1.158 123.976 122.820 -0.005 0.000 1.908 426 A HA -0.143 4.100 4.320 -0.129 0.000 0.218 426 A C 2.405 179.985 177.584 -0.006 0.000 1.181 426 A CA 2.271 54.305 52.037 -0.006 0.000 0.627 426 A CB -0.619 18.378 19.000 -0.006 0.000 0.818 426 A HN 0.280 nan 8.150 nan 0.000 0.445 427 A N -0.355 122.461 122.820 -0.006 0.000 1.930 427 A HA 0.207 4.449 4.320 -0.129 0.000 0.217 427 A C 2.462 180.042 177.584 -0.006 0.000 1.175 427 A CA 1.929 53.962 52.037 -0.007 0.000 0.627 427 A CB -0.875 18.121 19.000 -0.007 0.000 0.815 427 A HN 1.030 nan 8.150 nan 0.000 0.443 428 A N -0.552 122.265 122.820 -0.005 0.000 1.930 428 A HA 0.052 4.295 4.320 -0.129 0.000 0.217 428 A C 2.204 179.786 177.584 -0.005 0.000 1.175 428 A CA 1.597 53.631 52.037 -0.005 0.000 0.627 428 A CB -0.845 18.153 19.000 -0.004 0.000 0.815 428 A HN 0.341 nan 8.150 nan 0.000 0.443 429 V N -0.009 119.902 119.914 -0.005 0.000 2.287 429 V HA -0.289 3.753 4.120 -0.129 0.000 0.248 429 V C 3.081 179.172 176.094 -0.006 0.000 1.053 429 V CA 2.085 64.382 62.300 -0.005 0.000 1.027 429 V CB -1.264 30.556 31.823 -0.005 0.000 0.646 429 V HN 0.614 nan 8.190 nan 0.000 0.447 430 A N 0.105 122.921 122.820 -0.007 0.000 1.902 430 A HA -0.234 4.009 4.320 -0.129 0.000 0.217 430 A C 2.466 180.045 177.584 -0.007 0.000 1.181 430 A CA 2.791 54.824 52.037 -0.008 0.000 0.623 430 A CB -0.757 18.237 19.000 -0.009 0.000 0.818 430 A HN 0.548 nan 8.150 nan 0.000 0.443 431 K N -0.360 120.036 120.400 -0.007 0.000 2.026 431 K HA -0.166 4.077 4.320 -0.129 0.000 0.208 431 K C 2.103 178.700 176.600 -0.004 0.000 1.048 431 K CA 1.905 58.188 56.287 -0.006 0.000 0.929 431 K CB -0.863 31.634 32.500 -0.005 0.000 0.713 431 K HN 0.726 nan 8.250 nan 0.000 0.439 432 Q N -0.803 118.995 119.800 -0.004 0.000 2.119 432 Q HA -0.002 4.261 4.340 -0.129 0.000 0.201 432 Q C 2.384 178.382 176.000 -0.002 0.000 0.972 432 Q CA 1.238 57.039 55.803 -0.003 0.000 0.847 432 Q CB -0.270 28.467 28.738 -0.002 0.000 0.903 432 Q HN 0.591 nan 8.270 nan 0.000 0.433 433 A N 0.937 123.755 122.820 -0.004 0.000 1.877 433 A HA -0.180 4.062 4.320 -0.129 0.000 0.216 433 A C 2.039 179.621 177.584 -0.004 0.000 1.186 433 A CA 1.250 53.285 52.037 -0.004 0.000 0.620 433 A CB -0.808 18.188 19.000 -0.007 0.000 0.822 433 A HN 0.450 nan 8.150 nan 0.000 0.443 434 L N -0.659 120.561 121.223 -0.005 0.000 2.012 434 L HA -0.241 4.021 4.340 -0.129 0.000 0.210 434 L C 3.254 180.124 176.870 -0.001 0.000 1.073 434 L CA 2.012 56.850 54.840 -0.004 0.000 0.748 434 L CB -0.773 41.283 42.059 -0.005 0.000 0.891 434 L HN 0.566 nan 8.230 nan 0.000 0.431 435 K N -0.102 120.297 120.400 -0.001 0.000 2.026 435 K HA -0.167 4.075 4.320 -0.129 0.000 0.208 435 K C 1.824 178.426 176.600 0.003 0.000 1.048 435 K CA 1.565 57.852 56.287 0.001 0.000 0.929 435 K CB -0.539 31.961 32.500 0.000 0.000 0.713 435 K HN 0.302 nan 8.250 nan 0.000 0.439 436 E N -0.452 119.749 120.200 0.002 0.000 2.489 436 E HA 0.082 4.354 4.350 -0.129 0.000 0.193 436 E C -0.374 176.229 176.600 0.006 0.000 1.057 436 E CA 0.008 56.410 56.400 0.004 0.000 0.866 436 E CB 0.292 29.994 29.700 0.003 0.000 0.916 436 E HN 0.553 nan 8.360 nan 0.000 0.500 437 R N 0.797 121.301 120.500 0.006 0.000 3.261 437 R HA -0.165 4.097 4.340 -0.129 0.000 0.257 437 R C -0.292 176.013 176.300 0.008 0.000 1.014 437 R CA 0.684 56.789 56.100 0.008 0.000 0.681 437 R CB -1.639 28.670 30.300 0.015 0.000 1.155 437 R HN 0.081 nan 8.270 nan 0.000 0.424 438 K N -0.093 120.309 120.400 0.003 0.000 2.350 438 K HA 0.395 4.637 4.320 -0.129 0.000 0.241 438 K C 0.598 177.195 176.600 -0.004 0.000 0.994 438 K CA -0.518 55.770 56.287 0.002 0.000 0.839 438 K CB 1.522 34.023 32.500 0.002 0.000 1.244 438 K HN 0.172 nan 8.250 nan 0.000 0.443 439 T N -1.529 113.022 114.554 -0.005 0.000 2.813 439 T HA 0.111 4.384 4.350 -0.129 0.000 0.297 439 T C 1.618 176.313 174.700 -0.009 0.000 1.036 439 T CA -0.655 61.438 62.100 -0.010 0.000 1.044 439 T CB 0.333 69.195 68.868 -0.010 0.000 0.993 439 T HN 0.314 nan 8.240 nan 0.000 0.535 440 I N 0.579 121.142 120.570 -0.011 0.000 2.179 440 I HA -0.112 3.981 4.170 -0.129 0.000 0.242 440 I C 2.746 178.859 176.117 -0.007 0.000 1.088 440 I CA 1.466 62.760 61.300 -0.009 0.000 1.357 440 I CB -1.405 36.588 38.000 -0.011 0.000 1.051 440 I HN 0.846 nan 8.210 nan 0.000 0.409 441 R N 0.791 121.287 120.500 -0.007 0.000 2.094 441 R HA -0.286 3.977 4.340 -0.129 0.000 0.239 441 R C 2.348 178.646 176.300 -0.004 0.000 1.137 441 R CA 2.294 58.391 56.100 -0.005 0.000 0.943 441 R CB -0.240 30.056 30.300 -0.005 0.000 0.850 441 R HN 0.263 nan 8.270 nan 0.000 0.433 442 Q N -0.162 119.636 119.800 -0.003 0.000 2.119 442 Q HA -0.078 4.185 4.340 -0.129 0.000 0.201 442 Q C 1.795 177.795 176.000 -0.001 0.000 0.972 442 Q CA 2.428 58.230 55.803 -0.001 0.000 0.847 442 Q CB -0.230 28.508 28.738 0.000 0.000 0.903 442 Q HN 0.379 nan 8.270 nan 0.000 0.433 443 T N -0.421 114.131 114.554 -0.002 0.000 2.746 443 T HA -0.101 4.172 4.350 -0.129 0.000 0.267 443 T C 1.773 176.472 174.700 -0.003 0.000 1.039 443 T CA 1.334 63.432 62.100 -0.002 0.000 1.142 443 T CB -0.350 68.516 68.868 -0.003 0.000 0.866 443 T HN 0.091 nan 8.240 nan 0.000 0.444 444 V N 1.373 121.285 119.914 -0.003 0.000 2.343 444 V HA -0.149 3.894 4.120 -0.129 0.000 0.247 444 V C 2.372 178.465 176.094 -0.002 0.000 1.051 444 V CA 1.458 63.756 62.300 -0.003 0.000 1.036 444 V CB -0.604 31.217 31.823 -0.004 0.000 0.654 444 V HN 0.486 nan 8.190 nan 0.000 0.451 445 I N 0.069 120.638 120.570 -0.002 0.000 2.179 445 I HA -0.231 3.862 4.170 -0.129 0.000 0.242 445 I C 2.285 178.402 176.117 -0.001 0.000 1.088 445 I CA 1.679 62.979 61.300 -0.001 0.000 1.357 445 I CB -0.545 37.454 38.000 -0.001 0.000 1.051 445 I HN 0.305 nan 8.210 nan 0.000 0.409 446 D N 0.826 121.226 120.400 -0.001 0.000 2.182 446 D HA -0.151 4.411 4.640 -0.129 0.000 0.201 446 D C 2.072 178.371 176.300 -0.001 0.000 0.986 446 D CA 1.136 55.136 54.000 -0.000 0.000 0.847 446 D CB -0.268 40.532 40.800 -0.000 0.000 0.942 446 D HN 0.300 nan 8.370 nan 0.000 0.467 447 R N -0.284 120.215 120.500 -0.001 0.000 2.319 447 R HA 0.173 4.435 4.340 -0.129 0.000 0.204 447 R C 1.040 177.339 176.300 -0.001 0.000 0.954 447 R CA 0.477 56.577 56.100 -0.001 0.000 1.066 447 R CB 0.158 30.457 30.300 -0.002 0.000 0.991 447 R HN 0.125 nan 8.270 nan 0.000 0.486 448 G N 1.152 109.951 108.800 -0.001 0.000 2.176 448 G HA2 -0.256 3.626 3.960 -0.129 0.000 0.252 448 G HA3 -0.256 3.626 3.960 -0.129 0.000 0.252 448 G C 0.453 175.352 174.900 -0.001 0.000 1.024 448 G CA -0.064 45.035 45.100 -0.001 0.000 0.755 448 G HN 0.328 nan 8.290 nan 0.000 0.507 449 L N -0.213 121.009 121.223 -0.002 0.000 2.592 449 L HA 0.291 4.553 4.340 -0.129 0.000 0.227 449 L C 1.141 178.010 176.870 -0.002 0.000 1.127 449 L CA -0.329 54.510 54.840 -0.002 0.000 0.884 449 L CB -0.043 42.014 42.059 -0.002 0.000 1.065 449 L HN 0.194 nan 8.230 nan 0.000 0.457 450 I N 0.912 121.481 120.570 -0.001 0.000 2.496 450 I HA 0.369 4.461 4.170 -0.129 0.000 0.285 450 I C 0.873 176.989 176.117 -0.001 0.000 1.080 450 I CA 0.541 61.840 61.300 -0.001 0.000 1.404 450 I CB 0.231 38.231 38.000 -0.001 0.000 1.403 450 I HN 0.142 nan 8.210 nan 0.000 0.539 451 G N 5.650 114.449 108.800 -0.001 0.000 2.452 451 G HA2 0.021 3.904 3.960 -0.129 0.000 0.224 451 G HA3 0.021 3.904 3.960 -0.129 0.000 0.224 451 G C 0.095 174.995 174.900 -0.001 0.000 1.208 451 G CA 0.200 45.299 45.100 -0.001 0.000 0.946 451 G HN 0.438 nan 8.290 nan 0.000 0.481 452 D N 0.366 120.766 120.400 -0.001 0.000 2.264 452 D HA -0.103 4.459 4.640 -0.129 0.000 0.208 452 D C 1.690 177.989 176.300 -0.001 0.000 0.966 452 D CA 1.668 55.667 54.000 -0.001 0.000 0.864 452 D CB -0.083 40.717 40.800 -0.001 0.000 0.933 452 D HN 0.639 nan 8.370 nan 0.000 0.499 453 K N -0.262 120.137 120.400 -0.001 0.000 2.379 453 K HA 0.100 4.342 4.320 -0.129 0.000 0.194 453 K C -0.059 176.540 176.600 -0.002 0.000 1.031 453 K CA -0.186 56.100 56.287 -0.002 0.000 1.037 453 K CB 0.261 32.760 32.500 -0.002 0.000 0.824 453 K HN 0.178 nan 8.250 nan 0.000 0.516 454 L N 1.606 122.828 121.223 -0.002 0.000 2.752 454 L HA 0.187 4.450 4.340 -0.129 0.000 0.257 454 L C -1.019 175.850 176.870 -0.002 0.000 0.968 454 L CA -0.158 54.681 54.840 -0.002 0.000 0.953 454 L CB 1.625 43.683 42.059 -0.002 0.000 1.286 454 L HN 0.283 nan 8.230 nan 0.000 0.443 455 S N 3.350 119.049 115.700 -0.001 0.000 2.632 455 S HA 0.460 4.852 4.470 -0.129 0.000 0.267 455 S C 1.341 175.940 174.600 -0.001 0.000 1.276 455 S CA -0.657 57.542 58.200 -0.001 0.000 0.998 455 S CB 1.035 64.234 63.200 -0.001 0.000 0.953 455 S HN 0.668 nan 8.310 nan 0.000 0.547 456 L N 1.014 122.236 121.223 -0.001 0.000 2.042 456 L HA -0.141 4.121 4.340 -0.129 0.000 0.210 456 L C 2.958 179.827 176.870 -0.001 0.000 1.076 456 L CA 1.778 56.617 54.840 -0.001 0.000 0.749 456 L CB -0.664 41.394 42.059 -0.001 0.000 0.893 456 L HN 0.874 nan 8.230 nan 0.000 0.432 457 E N 0.179 120.378 120.200 -0.001 0.000 2.150 457 E HA -0.281 3.992 4.350 -0.129 0.000 0.193 457 E C 1.847 178.446 176.600 -0.002 0.000 0.985 457 E CA 1.374 57.773 56.400 -0.001 0.000 0.814 457 E CB -0.257 29.443 29.700 -0.001 0.000 0.752 457 E HN 0.472 nan 8.360 nan 0.000 0.466 458 E N 1.282 121.481 120.200 -0.002 0.000 2.072 458 E HA -0.142 4.131 4.350 -0.129 0.000 0.191 458 E C 2.114 178.712 176.600 -0.002 0.000 0.985 458 E CA 0.664 57.063 56.400 -0.002 0.000 0.801 458 E CB -0.343 29.356 29.700 -0.002 0.000 0.750 458 E HN 0.240 nan 8.360 nan 0.000 0.452 459 L N 1.044 122.266 121.223 -0.003 0.000 2.012 459 L HA -0.187 4.075 4.340 -0.129 0.000 0.210 459 L C 1.496 178.364 176.870 -0.004 0.000 1.073 459 L CA 2.226 57.064 54.840 -0.003 0.000 0.748 459 L CB -0.711 41.347 42.059 -0.003 0.000 0.891 459 L HN 0.124 nan 8.230 nan 0.000 0.431 460 D N -0.429 119.969 120.400 -0.003 0.000 2.178 460 D HA -0.146 4.416 4.640 -0.129 0.000 0.202 460 D C 2.435 178.733 176.300 -0.004 0.000 0.974 460 D CA 1.573 55.572 54.000 -0.003 0.000 0.841 460 D CB -0.034 40.764 40.800 -0.002 0.000 0.953 460 D HN 0.464 nan 8.370 nan 0.000 0.478 461 R N 1.229 121.727 120.500 -0.003 0.000 2.066 461 R HA -0.017 4.246 4.340 -0.129 0.000 0.232 461 R C 2.271 178.569 176.300 -0.004 0.000 1.131 461 R CA 1.379 57.477 56.100 -0.003 0.000 0.955 461 R CB -1.302 28.997 30.300 -0.002 0.000 0.851 461 R HN 0.216 nan 8.270 nan 0.000 0.432 462 R N 0.061 120.559 120.500 -0.004 0.000 2.148 462 R HA 0.150 4.413 4.340 -0.129 0.000 0.227 462 R C 1.484 177.780 176.300 -0.006 0.000 1.103 462 R CA 1.093 57.191 56.100 -0.004 0.000 0.983 462 R CB -0.103 30.195 30.300 -0.004 0.000 0.874 462 R HN 0.350 nan 8.270 nan 0.000 0.451 463 L N 1.027 122.246 121.223 -0.006 0.000 2.791 463 L HA 0.139 4.401 4.340 -0.129 0.000 0.239 463 L C 0.049 176.914 176.870 -0.009 0.000 1.203 463 L CA -0.352 54.484 54.840 -0.008 0.000 1.002 463 L CB 0.136 42.190 42.059 -0.008 0.000 1.295 463 L HN -0.047 nan 8.230 nan 0.000 0.504 464 D N 1.162 121.558 120.400 -0.007 0.000 2.383 464 D HA 0.038 4.600 4.640 -0.129 0.000 0.245 464 D C 1.297 177.592 176.300 -0.009 0.000 1.263 464 D CA -0.028 53.968 54.000 -0.007 0.000 0.936 464 D CB 1.457 42.254 40.800 -0.005 0.000 1.053 464 D HN 0.108 nan 8.370 nan 0.000 0.507 465 V N 2.911 122.818 119.914 -0.012 0.000 2.548 465 V HA -0.129 3.914 4.120 -0.129 0.000 0.249 465 V C 2.197 178.283 176.094 -0.013 0.000 1.055 465 V CA 0.634 62.925 62.300 -0.015 0.000 1.065 465 V CB -0.739 31.071 31.823 -0.021 0.000 0.681 465 V HN 0.430 nan 8.190 nan 0.000 0.462 466 L N 1.869 123.085 121.223 -0.011 0.000 2.017 466 L HA 0.069 4.332 4.340 -0.129 0.000 0.208 466 L C 2.677 179.545 176.870 -0.004 0.000 1.073 466 L CA 2.390 57.225 54.840 -0.007 0.000 0.745 466 L CB -1.165 40.892 42.059 -0.005 0.000 0.894 466 L HN 0.311 nan 8.230 nan 0.000 0.432 467 A N -0.781 122.037 122.820 -0.004 0.000 1.940 467 A HA -0.259 3.983 4.320 -0.129 0.000 0.219 467 A C 2.299 179.882 177.584 -0.003 0.000 1.176 467 A CA 2.190 54.226 52.037 -0.002 0.000 0.631 467 A CB -0.622 18.376 19.000 -0.002 0.000 0.814 467 A HN 0.558 nan 8.150 nan 0.000 0.446 468 M N -0.683 118.914 119.600 -0.005 0.000 2.213 468 M HA -0.144 4.259 4.480 -0.129 0.000 0.263 468 M C 2.320 178.617 176.300 -0.005 0.000 1.062 468 M CA 1.248 56.545 55.300 -0.006 0.000 1.105 468 M CB -0.304 32.291 32.600 -0.008 0.000 1.385 468 M HN 0.487 nan 8.290 nan 0.000 0.417 469 A N -0.354 122.463 122.820 -0.005 0.000 2.119 469 A HA -0.077 4.165 4.320 -0.129 0.000 0.217 469 A C 0.838 178.422 177.584 -0.001 0.000 1.153 469 A CA 0.608 52.643 52.037 -0.003 0.000 0.692 469 A CB -0.142 18.856 19.000 -0.003 0.000 0.799 469 A HN 0.447 nan 8.150 nan 0.000 0.458 470 K N -0.753 119.646 120.400 -0.000 0.000 3.244 470 K HA -0.127 4.116 4.320 -0.129 0.000 0.270 470 K C -0.364 176.238 176.600 0.003 0.000 1.016 470 K CA 0.668 56.956 56.287 0.001 0.000 0.754 470 K CB -2.636 29.863 32.500 -0.000 0.000 1.326 470 K HN 0.285 nan 8.250 nan 0.000 0.465 471 V N 1.032 120.950 119.914 0.005 0.000 2.540 471 V HA 0.109 4.151 4.120 -0.129 0.000 0.297 471 V C 1.493 177.592 176.094 0.008 0.000 1.024 471 V CA 1.157 63.463 62.300 0.009 0.000 1.105 471 V CB 0.810 32.641 31.823 0.013 0.000 0.938 471 V HN 0.555 nan 8.190 nan 0.000 0.482 472 E N 0.000 120.205 120.200 0.008 0.000 2.725 472 E HA 0.000 4.272 4.350 -0.129 0.000 0.291 472 E CA 0.000 56.404 56.400 0.007 0.000 0.976 472 E CB 0.000 29.703 29.700 0.005 0.000 0.812 472 E HN 0.000 nan 8.360 nan 0.000 0.440