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 1t7q_1_B DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTSQV PAKTDCVMAF GPVVPDGYGI DATA SEQUENCE CYNPMEAHIN FSVSAYNSCA ETNAARMAHY LEKALLDMRT LLQNHPRAK 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.639 174.600 0.065 0.000 1.055 27 S CA 0.000 58.222 58.200 0.038 0.000 1.107 27 S CB 0.000 63.214 63.200 0.023 0.000 0.593 28 H N 1.485 120.533 119.070 -0.037 0.000 2.293 28 H HA -0.016 4.530 4.556 -0.017 0.000 0.300 28 H C 2.152 177.472 175.328 -0.012 0.000 1.082 28 H CA 3.043 59.060 56.048 -0.051 0.000 1.308 28 H CB -0.327 29.298 29.762 -0.227 0.000 1.375 28 H HN 0.693 nan 8.280 nan 0.000 0.495 29 M N -0.952 118.543 119.600 -0.175 0.000 2.279 29 M HA 0.033 4.503 4.480 -0.017 0.000 0.264 29 M C 2.359 178.559 176.300 -0.167 0.000 1.062 29 M CA 1.853 57.017 55.300 -0.226 0.000 1.099 29 M CB -0.196 32.337 32.600 -0.112 0.000 1.394 29 M HN 0.245 nan 8.290 nan 0.000 0.426 30 A N 0.349 123.119 122.820 -0.084 0.000 1.902 30 A HA -0.202 4.108 4.320 -0.017 0.000 0.217 30 A C 2.008 179.557 177.584 -0.058 0.000 1.181 30 A CA 2.084 54.087 52.037 -0.058 0.000 0.623 30 A CB -1.249 17.742 19.000 -0.015 0.000 0.818 30 A HN 0.812 nan 8.150 nan 0.000 0.443 31 H N -0.472 118.522 119.070 -0.126 0.000 2.321 31 H HA -0.108 4.438 4.556 -0.017 0.000 0.300 31 H C 2.135 177.375 175.328 -0.146 0.000 1.087 31 H CA 2.092 58.075 56.048 -0.109 0.000 1.319 31 H CB -0.071 29.642 29.762 -0.081 0.000 1.379 31 H HN 0.355 nan 8.280 nan 0.000 0.501 32 Q N 0.471 120.077 119.800 -0.323 0.000 2.084 32 Q HA -0.135 4.195 4.340 -0.017 0.000 0.202 32 Q C 1.816 177.562 176.000 -0.424 0.000 0.978 32 Q CA 1.418 56.998 55.803 -0.371 0.000 0.844 32 Q CB -0.223 28.320 28.738 -0.325 0.000 0.898 32 Q HN 0.673 nan 8.270 nan 0.000 0.426 33 D N 0.511 120.711 120.400 -0.333 0.000 2.178 33 D HA -0.104 4.525 4.640 -0.017 0.000 0.201 33 D C 1.507 177.678 176.300 -0.216 0.000 0.980 33 D CA 1.245 55.079 54.000 -0.277 0.000 0.842 33 D CB 0.029 40.722 40.800 -0.179 0.000 0.948 33 D HN 0.245 nan 8.370 nan 0.000 0.472 34 A N 0.268 122.964 122.820 -0.208 0.000 2.169 34 A HA 0.078 4.388 4.320 -0.017 0.000 0.212 34 A C 1.220 178.710 177.584 -0.157 0.000 1.153 34 A CA 0.010 51.955 52.037 -0.154 0.000 0.756 34 A CB -0.183 18.743 19.000 -0.123 0.000 0.813 34 A HN 0.131 nan 8.150 nan 0.000 0.471 35 L N 1.674 122.769 121.223 -0.213 0.000 2.417 35 L HA 0.244 4.574 4.340 -0.017 0.000 0.268 35 L C -1.864 174.987 176.870 -0.032 0.000 1.158 35 L CA -1.948 52.807 54.840 -0.142 0.000 0.819 35 L CB 0.553 42.527 42.059 -0.142 0.000 1.112 35 L HN 0.146 nan 8.230 nan 0.000 0.458 36 P HA 0.151 nan 4.420 nan 0.000 0.272 36 P C -0.925 176.555 177.300 0.300 0.000 1.230 36 P CA -0.560 62.627 63.100 0.144 0.000 0.788 36 P CB 0.815 32.614 31.700 0.165 0.000 0.949 37 R N 0.843 121.501 120.500 0.263 0.000 2.459 37 R HA 0.373 4.703 4.340 -0.017 0.000 0.281 37 R C -0.212 176.190 176.300 0.170 0.000 1.050 37 R CA -1.167 55.073 56.100 0.234 0.000 1.055 37 R CB -0.513 29.874 30.300 0.145 0.000 1.045 37 R HN 0.416 nan 8.270 nan 0.000 0.495 38 L N 5.635 126.864 121.223 0.009 0.000 2.601 38 L HA 0.129 4.459 4.340 -0.017 0.000 0.277 38 L C -1.904 174.891 176.870 -0.125 0.000 1.219 38 L CA -0.404 54.215 54.840 -0.369 0.000 0.915 38 L CB 0.121 41.976 42.059 -0.340 0.000 1.160 38 L HN 0.576 nan 8.230 nan 0.000 0.494 39 P HA 0.198 nan 4.420 nan 0.000 0.278 39 P C -1.400 175.924 177.300 0.041 0.000 1.266 39 P CA -0.454 62.602 63.100 -0.074 0.000 0.807 39 P CB 1.403 33.029 31.700 -0.123 0.000 1.094 40 V N 2.235 122.071 119.914 -0.130 0.000 2.350 40 V HA 0.273 4.383 4.120 -0.017 0.000 0.285 40 V C -2.091 173.806 176.094 -0.328 0.000 1.014 40 V CA -1.756 60.322 62.300 -0.370 0.000 0.831 40 V CB 0.788 32.284 31.823 -0.546 0.000 1.000 40 V HN 0.555 nan 8.190 nan 0.000 0.433 41 P HA 0.242 nan 4.420 nan 0.000 0.270 41 P C -2.659 174.572 177.300 -0.115 0.000 1.223 41 P CA -1.174 61.819 63.100 -0.178 0.000 0.785 41 P CB -0.109 31.577 31.700 -0.023 0.000 0.923 42 P HA -0.001 nan 4.420 nan 0.000 0.269 42 P C 0.767 178.176 177.300 0.181 0.000 1.209 42 P CA -0.163 62.971 63.100 0.058 0.000 0.776 42 P CB 0.354 32.074 31.700 0.034 0.000 0.876 43 L N 3.444 124.764 121.223 0.161 0.000 2.012 43 L HA -0.227 4.103 4.340 -0.017 0.000 0.210 43 L C 2.162 179.079 176.870 0.079 0.000 1.073 43 L CA 2.002 56.937 54.840 0.158 0.000 0.748 43 L CB -1.103 40.983 42.059 0.045 0.000 0.891 43 L HN 0.394 nan 8.230 nan 0.000 0.431 44 Q N -0.991 118.825 119.800 0.027 0.000 2.061 44 Q HA -0.308 4.022 4.340 -0.017 0.000 0.204 44 Q C 2.246 178.219 176.000 -0.046 0.000 0.984 44 Q CA 2.169 57.962 55.803 -0.016 0.000 0.846 44 Q CB -0.251 28.466 28.738 -0.034 0.000 0.902 44 Q HN 0.690 nan 8.270 nan 0.000 0.421 45 Q N 0.034 119.814 119.800 -0.033 0.000 2.030 45 Q HA -0.187 4.143 4.340 -0.017 0.000 0.204 45 Q C 2.070 178.019 176.000 -0.085 0.000 0.986 45 Q CA 1.905 57.637 55.803 -0.118 0.000 0.843 45 Q CB -0.015 28.721 28.738 -0.003 0.000 0.904 45 Q HN 0.201 nan 8.270 nan 0.000 0.420 46 S N 0.664 116.456 115.700 0.153 0.000 2.368 46 S HA -0.082 4.378 4.470 -0.017 0.000 0.225 46 S C 1.910 176.526 174.600 0.027 0.000 1.030 46 S CA 1.046 59.407 58.200 0.268 0.000 0.999 46 S CB -0.200 63.251 63.200 0.419 0.000 0.844 46 S HN 0.361 nan 8.310 nan 0.000 0.459 47 L N 1.070 122.282 121.223 -0.019 0.000 2.141 47 L HA -0.145 4.185 4.340 -0.017 0.000 0.209 47 L C 2.347 179.180 176.870 -0.063 0.000 1.094 47 L CA 1.383 56.202 54.840 -0.035 0.000 0.763 47 L CB -0.565 41.489 42.059 -0.010 0.000 0.908 47 L HN 0.292 nan 8.230 nan 0.000 0.437 48 D N -0.680 119.650 120.400 -0.116 0.000 2.117 48 D HA -0.231 4.399 4.640 -0.017 0.000 0.198 48 D C 2.059 178.293 176.300 -0.110 0.000 0.982 48 D CA 1.435 55.346 54.000 -0.148 0.000 0.828 48 D CB -0.005 40.643 40.800 -0.254 0.000 0.967 48 D HN 0.181 nan 8.370 nan 0.000 0.464 49 Y N -0.678 119.584 120.300 -0.063 0.000 2.293 49 Y HA -0.103 4.437 4.550 -0.017 0.000 0.291 49 Y C 2.057 177.798 175.900 -0.266 0.000 1.137 49 Y CA 0.830 58.891 58.100 -0.064 0.000 1.202 49 Y CB -1.115 37.397 38.460 0.087 0.000 0.990 49 Y HN 0.151 nan 8.280 nan 0.000 0.537 50 Y N 0.276 120.156 120.300 -0.700 0.000 2.114 50 Y HA -0.230 4.310 4.550 -0.017 0.000 0.284 50 Y C 2.077 177.843 175.900 -0.223 0.000 1.143 50 Y CA 1.371 58.899 58.100 -0.953 0.000 1.135 50 Y CB -0.837 37.124 38.460 -0.832 0.000 0.980 50 Y HN 0.053 nan 8.280 nan 0.000 0.499 51 L N 0.087 121.156 121.223 -0.257 0.000 2.079 51 L HA -0.256 4.074 4.340 -0.017 0.000 0.210 51 L C 2.490 179.507 176.870 0.245 0.000 1.081 51 L CA 1.762 56.527 54.840 -0.125 0.000 0.752 51 L CB -0.512 41.511 42.059 -0.060 0.000 0.896 51 L HN 0.172 nan 8.230 nan 0.000 0.433 52 K N -0.129 120.377 120.400 0.177 0.000 2.097 52 K HA -0.099 4.211 4.320 -0.017 0.000 0.205 52 K C 2.148 178.874 176.600 0.211 0.000 1.050 52 K CA 1.279 57.687 56.287 0.201 0.000 0.938 52 K CB -0.191 32.430 32.500 0.201 0.000 0.718 52 K HN 0.271 nan 8.250 nan 0.000 0.442 53 A N 0.938 123.911 122.820 0.255 0.000 2.066 53 A HA -0.034 4.276 4.320 -0.017 0.000 0.218 53 A C 1.939 179.673 177.584 0.251 0.000 1.157 53 A CA 0.907 53.150 52.037 0.344 0.000 0.670 53 A CB -0.317 19.060 19.000 0.629 0.000 0.804 53 A HN 0.148 nan 8.150 nan 0.000 0.453 54 L N -1.310 120.010 121.223 0.161 0.000 2.270 54 L HA -0.124 4.206 4.340 -0.017 0.000 0.210 54 L C 2.690 179.690 176.870 0.217 0.000 1.104 54 L CA 1.047 55.973 54.840 0.144 0.000 0.804 54 L CB -0.373 41.673 42.059 -0.021 0.000 0.937 54 L HN 0.557 nan 8.230 nan 0.000 0.450 55 Q N 0.886 120.790 119.800 0.174 0.000 2.096 55 Q HA -0.217 4.113 4.340 -0.017 0.000 0.208 55 Q C -0.707 175.279 176.000 -0.023 0.000 0.993 55 Q CA 2.302 58.054 55.803 -0.085 0.000 0.862 55 Q CB -0.639 27.952 28.738 -0.246 0.000 0.915 55 Q HN 0.332 nan 8.270 nan 0.000 0.416 56 P HA -0.052 nan 4.420 nan 0.000 0.241 56 P C 0.794 178.147 177.300 0.087 0.000 1.191 56 P CA 1.000 64.133 63.100 0.055 0.000 0.771 56 P CB -0.113 31.631 31.700 0.072 0.000 0.929 57 I N -3.320 117.311 120.570 0.101 0.000 4.240 57 I HA 0.239 4.398 4.170 -0.017 0.000 0.331 57 I C 0.216 176.390 176.117 0.095 0.000 1.381 57 I CA -0.611 60.750 61.300 0.101 0.000 1.136 57 I CB 0.845 38.906 38.000 0.100 0.000 1.137 57 I HN -0.312 nan 8.210 nan 0.000 0.411 58 V N -1.063 118.917 119.914 0.110 0.000 3.102 58 V HA 0.722 4.832 4.120 -0.017 0.000 0.312 58 V C 0.415 176.577 176.094 0.113 0.000 1.135 58 V CA -0.308 62.061 62.300 0.114 0.000 1.022 58 V CB 1.343 33.252 31.823 0.143 0.000 1.056 58 V HN 0.312 nan 8.190 nan 0.000 0.436 59 S N 0.550 116.311 115.700 0.102 0.000 2.589 59 S HA 0.247 4.707 4.470 -0.017 0.000 0.265 59 S C 0.772 175.446 174.600 0.124 0.000 1.342 59 S CA 0.504 58.757 58.200 0.089 0.000 1.005 59 S CB 0.562 63.804 63.200 0.069 0.000 0.909 59 S HN 0.866 nan 8.310 nan 0.000 0.555 60 E N 0.791 121.045 120.200 0.090 0.000 2.110 60 E HA -0.176 4.164 4.350 -0.017 0.000 0.193 60 E C 1.833 178.533 176.600 0.166 0.000 0.988 60 E CA 1.617 58.081 56.400 0.106 0.000 0.804 60 E CB -0.154 29.576 29.700 0.049 0.000 0.745 60 E HN 0.727 nan 8.360 nan 0.000 0.458 61 E N 1.014 121.284 120.200 0.118 0.000 2.047 61 E HA -0.162 4.178 4.350 -0.017 0.000 0.191 61 E C 1.841 178.522 176.600 0.134 0.000 0.987 61 E CA 1.065 57.529 56.400 0.107 0.000 0.799 61 E CB -0.129 29.606 29.700 0.058 0.000 0.752 61 E HN 0.291 nan 8.360 nan 0.000 0.449 62 E N -0.489 119.790 120.200 0.130 0.000 2.077 62 E HA -0.196 4.144 4.350 -0.017 0.000 0.193 62 E C 1.795 178.484 176.600 0.148 0.000 0.989 62 E CA 0.965 57.445 56.400 0.133 0.000 0.800 62 E CB -0.283 29.482 29.700 0.108 0.000 0.746 62 E HN 0.334 nan 8.360 nan 0.000 0.452 63 W N 1.315 122.621 121.300 0.011 0.000 2.388 63 W HA -0.140 4.510 4.660 -0.017 0.000 0.294 63 W C 2.375 178.883 176.519 -0.019 0.000 1.212 63 W CA 1.857 59.187 57.345 -0.026 0.000 1.271 63 W CB -0.140 29.300 29.460 -0.033 0.000 1.126 63 W HN 0.030 nan 8.180 nan 0.000 0.535 64 A N -0.862 122.127 122.820 0.281 0.000 1.902 64 A HA -0.296 4.014 4.320 -0.017 0.000 0.217 64 A C 2.055 179.633 177.584 -0.010 0.000 1.181 64 A CA 1.936 54.069 52.037 0.161 0.000 0.623 64 A CB -1.535 17.584 19.000 0.198 0.000 0.818 64 A HN 0.624 nan 8.150 nan 0.000 0.443 65 H N -0.477 118.553 119.070 -0.067 0.000 2.321 65 H HA -0.108 4.438 4.556 -0.017 0.000 0.300 65 H C 1.981 177.208 175.328 -0.169 0.000 1.087 65 H CA 1.859 57.853 56.048 -0.091 0.000 1.319 65 H CB 0.027 29.757 29.762 -0.053 0.000 1.379 65 H HN 0.430 nan 8.280 nan 0.000 0.501 66 T N 0.785 115.143 114.554 -0.327 0.000 2.833 66 T HA -0.139 4.200 4.350 -0.017 0.000 0.269 66 T C 1.956 176.338 174.700 -0.531 0.000 1.054 66 T CA 1.597 63.426 62.100 -0.452 0.000 1.135 66 T CB -0.125 68.494 68.868 -0.414 0.000 0.869 66 T HN 0.216 nan 8.240 nan 0.000 0.466 67 K N 1.588 121.597 120.400 -0.652 0.000 2.057 67 K HA -0.077 4.233 4.320 -0.017 0.000 0.207 67 K C 2.257 178.650 176.600 -0.345 0.000 1.049 67 K CA 1.490 57.404 56.287 -0.622 0.000 0.931 67 K CB -0.323 31.746 32.500 -0.718 0.000 0.714 67 K HN 0.410 nan 8.250 nan 0.000 0.440 68 Q N -0.063 119.567 119.800 -0.283 0.000 2.079 68 Q HA -0.063 4.267 4.340 -0.017 0.000 0.200 68 Q C 2.175 178.046 176.000 -0.215 0.000 0.974 68 Q CA 1.547 57.234 55.803 -0.194 0.000 0.840 68 Q CB -0.159 28.498 28.738 -0.135 0.000 0.898 68 Q HN 0.282 nan 8.270 nan 0.000 0.430 69 L N 0.057 121.086 121.223 -0.323 0.000 2.083 69 L HA -0.178 4.152 4.340 -0.017 0.000 0.209 69 L C 2.354 179.108 176.870 -0.194 0.000 1.083 69 L CA 0.738 55.404 54.840 -0.290 0.000 0.752 69 L CB -0.468 41.345 42.059 -0.410 0.000 0.899 69 L HN 0.109 nan 8.230 nan 0.000 0.433 70 V N -0.258 119.527 119.914 -0.214 0.000 2.343 70 V HA -0.280 3.830 4.120 -0.017 0.000 0.247 70 V C 2.140 178.203 176.094 -0.052 0.000 1.051 70 V CA 1.844 64.069 62.300 -0.125 0.000 1.036 70 V CB -0.476 31.246 31.823 -0.168 0.000 0.654 70 V HN 0.433 nan 8.190 nan 0.000 0.451 71 D N -0.331 120.013 120.400 -0.093 0.000 2.117 71 D HA -0.185 4.445 4.640 -0.017 0.000 0.197 71 D C 2.197 178.470 176.300 -0.045 0.000 0.987 71 D CA 1.532 55.493 54.000 -0.065 0.000 0.829 71 D CB -0.108 40.648 40.800 -0.073 0.000 0.961 71 D HN 0.482 nan 8.370 nan 0.000 0.460 72 E N 0.195 120.369 120.200 -0.044 0.000 2.072 72 E HA -0.153 4.187 4.350 -0.017 0.000 0.191 72 E C 1.876 178.477 176.600 0.003 0.000 0.985 72 E CA 0.554 56.936 56.400 -0.029 0.000 0.801 72 E CB -0.558 29.120 29.700 -0.036 0.000 0.750 72 E HN 0.189 nan 8.360 nan 0.000 0.452 73 F N 1.755 121.614 119.950 -0.152 0.000 2.161 73 F HA -0.160 4.357 4.527 -0.017 0.000 0.300 73 F C 1.994 177.718 175.800 -0.127 0.000 1.089 73 F CA 2.149 60.052 58.000 -0.162 0.000 1.282 73 F CB -0.196 38.666 39.000 -0.229 0.000 1.010 73 F HN 0.246 nan 8.300 nan 0.000 0.485 74 Q N -0.519 119.209 119.800 -0.121 0.000 2.220 74 Q HA 0.144 4.474 4.340 -0.017 0.000 0.205 74 Q C 0.590 176.504 176.000 -0.143 0.000 0.865 74 Q CA 0.036 55.719 55.803 -0.199 0.000 0.960 74 Q CB -0.351 28.329 28.738 -0.097 0.000 1.097 74 Q HN 0.200 nan 8.270 nan 0.000 0.493 75 T N 0.898 115.381 114.554 -0.119 0.000 2.898 75 T HA 0.123 4.463 4.350 -0.017 0.000 0.301 75 T C -0.010 174.631 174.700 -0.097 0.000 1.049 75 T CA -0.115 61.932 62.100 -0.089 0.000 1.095 75 T CB 0.880 69.707 68.868 -0.067 0.000 0.976 75 T HN 0.355 nan 8.240 nan 0.000 0.539 76 S N 2.270 117.925 115.700 -0.075 0.000 2.563 76 S HA 0.347 4.807 4.470 -0.017 0.000 0.294 76 S C 1.485 176.043 174.600 -0.070 0.000 1.279 76 S CA 0.653 58.812 58.200 -0.070 0.000 1.069 76 S CB 0.044 63.212 63.200 -0.052 0.000 0.828 76 S HN 1.301 nan 8.310 nan 0.000 0.497 77 G N 2.476 111.231 108.800 -0.075 0.000 2.155 77 G HA2 -0.194 3.756 3.960 -0.017 0.000 0.257 77 G HA3 -0.194 3.756 3.960 -0.017 0.000 0.257 77 G C 0.404 175.255 174.900 -0.082 0.000 0.983 77 G CA 0.022 45.081 45.100 -0.068 0.000 0.676 77 G HN 1.087 nan 8.290 nan 0.000 0.528 78 G N -1.487 107.244 108.800 -0.115 0.000 2.543 78 G HA2 0.567 4.517 3.960 -0.017 0.000 0.290 78 G HA3 0.567 4.517 3.960 -0.017 0.000 0.290 78 G C 1.218 176.008 174.900 -0.184 0.000 1.310 78 G CA 0.319 45.335 45.100 -0.140 0.000 1.025 78 G HN 0.643 nan 8.290 nan 0.000 0.502 79 V N 0.975 120.766 119.914 -0.206 0.000 2.307 79 V HA -0.081 4.029 4.120 -0.017 0.000 0.245 79 V C 3.133 178.962 176.094 -0.443 0.000 1.045 79 V CA 2.482 64.658 62.300 -0.207 0.000 1.024 79 V CB -1.184 30.609 31.823 -0.050 0.000 0.651 79 V HN 0.834 nan 8.190 nan 0.000 0.449 80 G N 0.993 109.171 108.800 -1.038 0.000 2.491 80 G HA2 -0.327 3.623 3.960 -0.017 0.000 0.218 80 G HA3 -0.327 3.623 3.960 -0.017 0.000 0.218 80 G C 1.395 175.955 174.900 -0.567 0.000 1.180 80 G CA 1.224 45.462 45.100 -1.436 0.000 0.774 80 G HN 0.742 nan 8.290 nan 0.000 0.562 81 E N 0.069 120.036 120.200 -0.388 0.000 2.153 81 E HA -0.145 4.195 4.350 -0.017 0.000 0.194 81 E C 2.399 178.911 176.600 -0.148 0.000 0.988 81 E CA 0.930 57.204 56.400 -0.210 0.000 0.811 81 E CB -0.299 29.306 29.700 -0.159 0.000 0.746 81 E HN 0.472 nan 8.360 nan 0.000 0.466 82 R N 0.762 121.172 120.500 -0.150 0.000 2.075 82 R HA -0.022 4.308 4.340 -0.017 0.000 0.232 82 R C 2.407 178.674 176.300 -0.056 0.000 1.126 82 R CA 1.037 57.085 56.100 -0.086 0.000 0.963 82 R CB -0.114 30.143 30.300 -0.072 0.000 0.858 82 R HN 0.243 nan 8.270 nan 0.000 0.435 83 L N 0.245 121.430 121.223 -0.063 0.000 2.056 83 L HA -0.160 4.170 4.340 -0.017 0.000 0.207 83 L C 2.633 179.509 176.870 0.011 0.000 1.078 83 L CA 1.136 55.982 54.840 0.010 0.000 0.749 83 L CB -0.483 41.622 42.059 0.078 0.000 0.901 83 L HN 0.238 nan 8.230 nan 0.000 0.433 84 Q N 0.846 120.632 119.800 -0.024 0.000 2.061 84 Q HA -0.235 4.094 4.340 -0.017 0.000 0.204 84 Q C 2.053 178.029 176.000 -0.040 0.000 0.984 84 Q CA 1.781 57.580 55.803 -0.006 0.000 0.846 84 Q CB 0.036 28.764 28.738 -0.017 0.000 0.902 84 Q HN 0.098 nan 8.270 nan 0.000 0.421 85 K N -0.332 120.041 120.400 -0.045 0.000 2.097 85 K HA -0.004 4.306 4.320 -0.017 0.000 0.206 85 K C 1.892 178.469 176.600 -0.038 0.000 1.049 85 K CA 1.310 57.570 56.287 -0.045 0.000 0.933 85 K CB -1.012 31.464 32.500 -0.041 0.000 0.717 85 K HN 0.415 nan 8.250 nan 0.000 0.442 86 G N 0.514 109.305 108.800 -0.016 0.000 2.418 86 G HA2 -0.212 3.738 3.960 -0.017 0.000 0.217 86 G HA3 -0.212 3.738 3.960 -0.017 0.000 0.217 86 G C 1.485 176.378 174.900 -0.011 0.000 1.158 86 G CA 0.623 45.729 45.100 0.009 0.000 0.771 86 G HN 0.190 nan 8.290 nan 0.000 0.545 87 L N 0.082 121.279 121.223 -0.044 0.000 2.093 87 L HA -0.045 4.285 4.340 -0.017 0.000 0.208 87 L C 2.909 179.630 176.870 -0.247 0.000 1.085 87 L CA 1.199 55.935 54.840 -0.173 0.000 0.755 87 L CB -0.432 41.444 42.059 -0.306 0.000 0.904 87 L HN 0.331 nan 8.230 nan 0.000 0.435 88 E N -0.153 119.938 120.200 -0.182 0.000 2.110 88 E HA -0.197 4.143 4.350 -0.017 0.000 0.193 88 E C 2.316 178.857 176.600 -0.097 0.000 0.988 88 E CA 0.817 57.124 56.400 -0.155 0.000 0.804 88 E CB -0.020 29.614 29.700 -0.110 0.000 0.745 88 E HN 0.422 nan 8.360 nan 0.000 0.458 89 R N 0.562 121.020 120.500 -0.069 0.000 2.092 89 R HA -0.061 4.269 4.340 -0.017 0.000 0.231 89 R C 2.450 178.726 176.300 -0.040 0.000 1.119 89 R CA 0.837 56.911 56.100 -0.042 0.000 0.970 89 R CB -0.229 30.056 30.300 -0.026 0.000 0.864 89 R HN 0.063 nan 8.270 nan 0.000 0.440 90 R N 0.762 121.229 120.500 -0.055 0.000 2.081 90 R HA -0.110 4.220 4.340 -0.017 0.000 0.235 90 R C 2.084 178.378 176.300 -0.010 0.000 1.131 90 R CA 1.539 57.606 56.100 -0.054 0.000 0.960 90 R CB -0.198 30.048 30.300 -0.090 0.000 0.856 90 R HN 0.204 nan 8.270 nan 0.000 0.436 91 A N 0.828 123.640 122.820 -0.014 0.000 2.067 91 A HA -0.127 4.183 4.320 -0.017 0.000 0.219 91 A C 1.776 179.383 177.584 0.038 0.000 1.158 91 A CA 1.250 53.325 52.037 0.064 0.000 0.661 91 A CB -0.159 18.845 19.000 0.007 0.000 0.801 91 A HN 0.311 nan 8.150 nan 0.000 0.452 92 K N -0.288 120.114 120.400 0.002 0.000 2.365 92 K HA -0.038 4.271 4.320 -0.017 0.000 0.197 92 K C 1.357 177.960 176.600 0.005 0.000 1.042 92 K CA 1.239 57.528 56.287 0.003 0.000 0.987 92 K CB 0.062 32.557 32.500 -0.009 0.000 0.779 92 K HN 0.696 nan 8.250 nan 0.000 0.484 93 K N -0.142 120.257 120.400 -0.000 0.000 2.387 93 K HA 0.231 4.541 4.320 -0.017 0.000 0.203 93 K C 0.213 176.811 176.600 -0.004 0.000 1.030 93 K CA -0.002 56.283 56.287 -0.004 0.000 1.099 93 K CB 0.479 32.971 32.500 -0.013 0.000 0.863 93 K HN -0.053 nan 8.250 nan 0.000 0.529 94 M N 0.526 120.130 119.600 0.008 0.000 2.593 94 M HA 0.273 4.743 4.480 -0.017 0.000 0.290 94 M C 0.067 176.391 176.300 0.039 0.000 1.244 94 M CA -0.638 54.666 55.300 0.006 0.000 0.857 94 M CB 2.421 35.007 32.600 -0.023 0.000 1.738 94 M HN -0.082 nan 8.290 nan 0.000 0.461 95 E N 1.007 121.235 120.200 0.046 0.000 2.106 95 E HA -0.060 4.280 4.350 -0.017 0.000 0.192 95 E C 0.237 176.889 176.600 0.086 0.000 0.984 95 E CA 0.860 57.327 56.400 0.111 0.000 0.806 95 E CB 0.276 30.072 29.700 0.160 0.000 0.750 95 E HN 0.406 nan 8.360 nan 0.000 0.458 96 N N -0.308 118.387 118.700 -0.010 0.000 2.549 96 N HA -0.022 4.708 4.740 -0.017 0.000 0.290 96 N C 0.060 175.502 175.510 -0.113 0.000 1.122 96 N CA -0.463 52.534 53.050 -0.089 0.000 0.885 96 N CB 0.611 38.989 38.487 -0.181 0.000 1.455 96 N HN 0.180 nan 8.380 nan 0.000 0.521 97 W N 4.081 125.319 121.300 -0.104 0.000 2.421 97 W HA -0.078 4.572 4.660 -0.017 0.000 0.270 97 W C 0.410 176.825 176.519 -0.174 0.000 1.233 97 W CA 0.327 57.571 57.345 -0.169 0.000 1.226 97 W CB -0.146 29.238 29.460 -0.128 0.000 1.121 97 W HN 0.438 nan 8.180 nan 0.000 0.579 98 L N 2.547 123.281 121.223 -0.815 0.000 2.470 98 L HA 0.034 4.364 4.340 -0.017 0.000 0.219 98 L C 2.848 179.606 176.870 -0.187 0.000 1.071 98 L CA 1.899 56.322 54.840 -0.695 0.000 0.850 98 L CB -0.633 40.623 42.059 -1.339 0.000 1.040 98 L HN -0.001 nan 8.230 nan 0.000 0.475 99 S N -0.460 115.125 115.700 -0.191 0.000 2.369 99 S HA -0.363 4.097 4.470 -0.017 0.000 0.225 99 S C 1.926 176.578 174.600 0.087 0.000 1.043 99 S CA 1.867 60.053 58.200 -0.023 0.000 1.074 99 S CB -0.960 62.197 63.200 -0.071 0.000 0.962 99 S HN 0.663 nan 8.310 nan 0.000 0.433 100 E N -0.188 120.028 120.200 0.027 0.000 2.051 100 E HA -0.156 4.184 4.350 -0.017 0.000 0.192 100 E C 1.901 178.627 176.600 0.210 0.000 0.991 100 E CA 1.304 57.746 56.400 0.071 0.000 0.799 100 E CB -0.237 29.456 29.700 -0.011 0.000 0.748 100 E HN 0.692 nan 8.360 nan 0.000 0.449 101 W N 0.731 122.076 121.300 0.075 0.000 2.338 101 W HA -0.195 4.455 4.660 -0.017 0.000 0.304 101 W C 2.221 178.796 176.519 0.093 0.000 1.212 101 W CA 0.569 57.965 57.345 0.086 0.000 1.264 101 W CB -1.382 28.157 29.460 0.131 0.000 1.142 101 W HN 0.400 nan 8.180 nan 0.000 0.512 102 W N 0.557 121.957 121.300 0.167 0.000 2.379 102 W HA -0.217 4.432 4.660 -0.017 0.000 0.307 102 W C 2.153 178.685 176.519 0.022 0.000 1.200 102 W CA 1.296 58.661 57.345 0.033 0.000 1.297 102 W CB -0.710 28.741 29.460 -0.016 0.000 1.140 102 W HN -0.178 nan 8.180 nan 0.000 0.507 103 L N 2.144 123.414 121.223 0.078 0.000 2.042 103 L HA -0.217 4.113 4.340 -0.017 0.000 0.210 103 L C 2.531 179.379 176.870 -0.036 0.000 1.076 103 L CA 2.525 57.396 54.840 0.051 0.000 0.749 103 L CB -1.160 40.980 42.059 0.135 0.000 0.893 103 L HN -0.100 nan 8.230 nan 0.000 0.432 104 K N -1.120 119.278 120.400 -0.004 0.000 1.984 104 K HA -0.171 4.139 4.320 -0.017 0.000 0.209 104 K C 2.051 178.577 176.600 -0.122 0.000 1.046 104 K CA 2.056 58.336 56.287 -0.010 0.000 0.934 104 K CB -0.333 32.211 32.500 0.073 0.000 0.717 104 K HN 0.634 nan 8.250 nan 0.000 0.438 105 T N -1.523 112.916 114.554 -0.192 0.000 2.821 105 T HA 0.001 4.341 4.350 -0.017 0.000 0.267 105 T C 1.992 176.365 174.700 -0.546 0.000 1.046 105 T CA 1.006 62.934 62.100 -0.288 0.000 1.139 105 T CB -0.242 68.488 68.868 -0.230 0.000 0.871 105 T HN 0.238 nan 8.240 nan 0.000 0.454 106 A N -0.298 121.937 122.820 -0.975 0.000 1.970 106 A HA 0.290 4.600 4.320 -0.017 0.000 0.216 106 A C 1.713 178.497 177.584 -1.333 0.000 1.170 106 A CA 0.701 51.830 52.037 -1.514 0.000 0.645 106 A CB -0.410 17.005 19.000 -2.643 0.000 0.816 106 A HN 0.696 nan 8.150 nan 0.000 0.447 107 Y N -1.860 118.228 120.300 -0.352 0.000 3.011 107 Y HA 0.275 4.815 4.550 -0.017 0.000 0.231 107 Y C 1.950 177.841 175.900 -0.015 0.000 0.983 107 Y CA -0.271 57.755 58.100 -0.123 0.000 1.429 107 Y CB -0.072 38.312 38.460 -0.126 0.000 1.491 107 Y HN -0.010 nan 8.280 nan 0.000 0.444 108 L N 0.560 121.852 121.223 0.115 0.000 2.079 108 L HA -0.240 4.090 4.340 -0.017 0.000 0.210 108 L C 1.537 178.431 176.870 0.040 0.000 1.081 108 L CA 1.735 56.617 54.840 0.071 0.000 0.752 108 L CB -0.503 41.588 42.059 0.052 0.000 0.896 108 L HN 0.410 nan 8.230 nan 0.000 0.433 109 Q N -1.074 118.738 119.800 0.019 0.000 2.360 109 Q HA 0.045 4.375 4.340 -0.017 0.000 0.202 109 Q C 0.021 176.059 176.000 0.063 0.000 0.915 109 Q CA -0.270 55.543 55.803 0.016 0.000 0.943 109 Q CB 0.375 29.106 28.738 -0.012 0.000 1.064 109 Q HN 0.190 nan 8.270 nan 0.000 0.511 110 F N 1.901 121.775 119.950 -0.126 0.000 2.466 110 F HA 0.124 4.641 4.527 -0.017 0.000 0.363 110 F C 0.662 176.380 175.800 -0.137 0.000 1.109 110 F CA -0.531 57.384 58.000 -0.143 0.000 1.161 110 F CB 0.543 39.446 39.000 -0.162 0.000 1.117 110 F HN -0.155 nan 8.300 nan 0.000 0.539 111 R N 2.644 122.947 120.500 -0.328 0.000 2.300 111 R HA 0.098 4.428 4.340 -0.017 0.000 0.199 111 R C 0.488 176.175 176.300 -1.022 0.000 0.920 111 R CA 0.093 55.876 56.100 -0.528 0.000 1.046 111 R CB -0.360 29.779 30.300 -0.268 0.000 0.984 111 R HN 0.592 nan 8.270 nan 0.000 0.493 112 Q N 1.220 120.324 119.800 -1.159 0.000 2.454 112 Q HA 0.200 4.530 4.340 -0.017 0.000 0.247 112 Q C -2.128 173.495 176.000 -0.628 0.000 1.028 112 Q CA -2.009 53.224 55.803 -0.949 0.000 0.910 112 Q CB -0.187 27.908 28.738 -1.071 0.000 1.276 112 Q HN -0.044 nan 8.270 nan 0.000 0.489 113 P HA -0.099 nan 4.420 nan 0.000 0.266 113 P C 0.849 178.095 177.300 -0.089 0.000 1.193 113 P CA 0.211 63.239 63.100 -0.119 0.000 0.770 113 P CB 0.434 32.125 31.700 -0.015 0.000 0.836 114 V N 0.956 120.797 119.914 -0.123 0.000 2.719 114 V HA -0.047 4.063 4.120 -0.017 0.000 0.252 114 V C 0.823 176.834 176.094 -0.138 0.000 1.065 114 V CA 0.884 63.151 62.300 -0.056 0.000 1.086 114 V CB -0.796 31.024 31.823 -0.005 0.000 0.700 114 V HN 0.140 nan 8.190 nan 0.000 0.467 115 V N 2.116 121.831 119.914 -0.332 0.000 2.529 115 V HA 0.216 4.326 4.120 -0.017 0.000 0.292 115 V C 1.363 177.161 176.094 -0.493 0.000 1.028 115 V CA 1.034 63.025 62.300 -0.516 0.000 1.074 115 V CB 0.154 31.489 31.823 -0.813 0.000 0.958 115 V HN 0.627 nan 8.190 nan 0.000 0.481 116 I N 1.522 121.873 120.570 -0.365 0.000 4.407 116 I HA -0.438 3.722 4.170 -0.017 0.000 0.066 116 I C 1.452 177.427 176.117 -0.236 0.000 0.591 116 I CA 1.968 63.048 61.300 -0.366 0.000 1.050 116 I CB -1.259 36.355 38.000 -0.644 0.000 0.939 116 I HN 0.654 nan 8.210 nan 0.000 0.169 117 Y N -0.148 120.212 120.300 0.099 0.000 2.457 117 Y HA -0.041 4.500 4.550 -0.016 0.000 0.292 117 Y C 2.426 178.490 175.900 0.274 0.000 1.125 117 Y CA 1.219 59.442 58.100 0.205 0.000 1.254 117 Y CB 0.015 38.560 38.460 0.141 0.000 1.012 117 Y HN 0.365 nan 8.280 nan 0.000 0.555 118 S N -1.587 114.275 115.700 0.271 0.000 3.472 118 S HA 0.116 4.575 4.470 -0.017 0.000 0.247 118 S C 0.551 175.231 174.600 0.133 0.000 1.084 118 S CA -0.250 58.116 58.200 0.277 0.000 0.795 118 S CB -0.452 62.954 63.200 0.344 0.000 0.892 118 S HN 0.064 nan 8.310 nan 0.000 0.513 119 S N 4.245 119.950 115.700 0.009 0.000 2.465 119 S HA 0.394 4.854 4.470 -0.017 0.000 0.280 119 S C -2.663 171.808 174.600 -0.216 0.000 1.232 119 S CA -0.574 57.533 58.200 -0.155 0.000 1.066 119 S CB 0.907 64.069 63.200 -0.064 0.000 0.929 119 S HN 0.389 nan 8.310 nan 0.000 0.494 120 P HA 0.292 nan 4.420 nan 0.000 0.275 120 P C 0.108 177.304 177.300 -0.173 0.000 1.227 120 P CA -0.240 62.698 63.100 -0.269 0.000 0.781 120 P CB 0.602 32.073 31.700 -0.381 0.000 0.906 121 G N 1.168 109.953 108.800 -0.025 0.000 2.389 121 G HA2 0.525 4.475 3.960 -0.017 0.000 0.317 121 G HA3 0.525 4.475 3.960 -0.017 0.000 0.317 121 G C -1.147 173.775 174.900 0.036 0.000 1.137 121 G CA -0.449 44.651 45.100 -0.000 0.000 0.870 121 G HN 0.338 nan 8.290 nan 0.000 0.496 122 V N 2.442 122.380 119.914 0.041 0.000 2.444 122 V HA 0.353 4.463 4.120 -0.017 0.000 0.294 122 V C -0.682 175.435 176.094 0.039 0.000 1.022 122 V CA -0.631 61.700 62.300 0.051 0.000 0.850 122 V CB 1.361 33.215 31.823 0.052 0.000 0.992 122 V HN 0.569 nan 8.190 nan 0.000 0.426 123 I N 6.106 126.698 120.570 0.036 0.000 2.330 123 I HA 0.445 4.604 4.170 -0.017 0.000 0.289 123 I C 0.046 176.191 176.117 0.047 0.000 1.001 123 I CA 0.199 61.517 61.300 0.030 0.000 1.193 123 I CB 1.201 39.207 38.000 0.010 0.000 1.345 123 I HN 0.400 nan 8.210 nan 0.000 0.461 124 L N 7.016 128.276 121.223 0.062 0.000 2.400 124 L HA 0.602 4.932 4.340 -0.017 0.000 0.264 124 L C -2.109 174.788 176.870 0.046 0.000 1.061 124 L CA -1.938 52.946 54.840 0.073 0.000 0.799 124 L CB 0.578 42.710 42.059 0.122 0.000 1.240 124 L HN 0.305 nan 8.230 nan 0.000 0.461 125 P HA 0.027 nan 4.420 nan 0.000 0.268 125 P C -1.008 176.266 177.300 -0.044 0.000 1.205 125 P CA -0.219 62.885 63.100 0.007 0.000 0.771 125 P CB 0.441 32.148 31.700 0.011 0.000 0.858 126 K N 3.069 123.434 120.400 -0.058 0.000 2.401 126 K HA 0.043 4.353 4.320 -0.017 0.000 0.278 126 K C 0.123 176.586 176.600 -0.229 0.000 1.018 126 K CA -0.254 55.959 56.287 -0.124 0.000 0.981 126 K CB 0.327 32.787 32.500 -0.067 0.000 0.933 126 K HN 0.364 nan 8.250 nan 0.000 0.477 127 Q N 1.975 121.529 119.800 -0.410 0.000 2.212 127 Q HA 0.036 4.366 4.340 -0.017 0.000 0.238 127 Q C 0.113 175.808 176.000 -0.507 0.000 0.955 127 Q CA -0.203 55.294 55.803 -0.509 0.000 0.906 127 Q CB 1.329 29.597 28.738 -0.784 0.000 1.215 127 Q HN 0.790 nan 8.270 nan 0.000 0.478 128 D N -0.889 119.321 120.400 -0.317 0.000 2.328 128 D HA -0.006 4.624 4.640 -0.017 0.000 0.226 128 D C 0.249 176.462 176.300 -0.146 0.000 1.066 128 D CA -0.166 53.706 54.000 -0.214 0.000 0.861 128 D CB -0.566 40.173 40.800 -0.101 0.000 0.912 128 D HN 0.318 nan 8.370 nan 0.000 0.521 129 F N 0.281 120.186 119.950 -0.075 0.000 2.471 129 F HA 0.337 4.855 4.527 -0.015 0.000 0.353 129 F C 1.076 176.859 175.800 -0.027 0.000 1.113 129 F CA -1.285 56.691 58.000 -0.039 0.000 1.262 129 F CB 0.746 39.737 39.000 -0.016 0.000 1.146 129 F HN -0.153 nan 8.300 nan 0.000 0.578 130 V N -1.558 118.491 119.914 0.225 0.000 3.432 130 V HA 0.367 4.477 4.120 -0.017 0.000 0.298 130 V C -0.903 175.278 176.094 0.144 0.000 1.464 130 V CA 0.333 62.712 62.300 0.132 0.000 1.046 130 V CB -1.020 30.830 31.823 0.046 0.000 0.887 130 V HN 0.923 nan 8.190 nan 0.000 0.441 131 D N -1.676 118.823 120.400 0.166 0.000 2.626 131 D HA 0.355 4.985 4.640 -0.017 0.000 0.278 131 D C 0.589 176.872 176.300 -0.028 0.000 1.211 131 D CA -0.517 53.521 54.000 0.063 0.000 0.903 131 D CB 1.432 42.241 40.800 0.015 0.000 1.408 131 D HN -0.106 nan 8.370 nan 0.000 0.454 132 L N 0.292 121.432 121.223 -0.138 0.000 1.990 132 L HA -0.188 4.142 4.340 -0.017 0.000 0.213 132 L C 2.332 179.002 176.870 -0.334 0.000 1.072 132 L CA 2.505 57.126 54.840 -0.367 0.000 0.755 132 L CB -1.083 40.647 42.059 -0.548 0.000 0.889 132 L HN 0.779 nan 8.230 nan 0.000 0.432 133 Q N -1.020 118.673 119.800 -0.178 0.000 2.112 133 Q HA -0.180 4.150 4.340 -0.017 0.000 0.206 133 Q C 2.054 178.014 176.000 -0.066 0.000 0.987 133 Q CA 2.083 57.870 55.803 -0.027 0.000 0.858 133 Q CB -0.658 28.078 28.738 -0.002 0.000 0.905 133 Q HN 0.610 nan 8.270 nan 0.000 0.420 134 G N 0.422 109.160 108.800 -0.103 0.000 2.422 134 G HA2 -0.331 3.618 3.960 -0.017 0.000 0.218 134 G HA3 -0.331 3.618 3.960 -0.017 0.000 0.218 134 G C 1.277 175.907 174.900 -0.451 0.000 1.146 134 G CA 0.793 45.838 45.100 -0.093 0.000 0.769 134 G HN 0.517 nan 8.290 nan 0.000 0.547 135 Q N -0.244 119.068 119.800 -0.813 0.000 2.050 135 Q HA -0.001 4.329 4.340 -0.017 0.000 0.202 135 Q C 2.554 178.242 176.000 -0.520 0.000 0.980 135 Q CA 0.957 55.959 55.803 -1.334 0.000 0.840 135 Q CB -0.199 28.073 28.738 -0.776 0.000 0.898 135 Q HN 0.504 nan 8.270 nan 0.000 0.424 136 L N 0.056 121.114 121.223 -0.274 0.000 2.109 136 L HA -0.128 4.202 4.340 -0.017 0.000 0.207 136 L C 2.667 179.611 176.870 0.123 0.000 1.086 136 L CA 0.603 55.406 54.840 -0.063 0.000 0.760 136 L CB -0.432 41.572 42.059 -0.093 0.000 0.910 136 L HN 0.159 nan 8.230 nan 0.000 0.437 137 R N -0.174 120.385 120.500 0.098 0.000 2.081 137 R HA -0.163 4.166 4.340 -0.017 0.000 0.235 137 R C 2.186 178.512 176.300 0.044 0.000 1.131 137 R CA 1.433 57.540 56.100 0.012 0.000 0.960 137 R CB -0.888 29.321 30.300 -0.152 0.000 0.856 137 R HN 0.270 nan 8.270 nan 0.000 0.436 138 F N 1.408 121.311 119.950 -0.079 0.000 2.146 138 F HA -0.060 4.459 4.527 -0.014 0.000 0.298 138 F C 2.194 178.004 175.800 0.018 0.000 1.096 138 F CA 1.134 59.140 58.000 0.010 0.000 1.275 138 F CB -0.468 38.598 39.000 0.111 0.000 1.008 138 F HN 0.010 nan 8.300 nan 0.000 0.480 139 A N 0.553 123.278 122.820 -0.158 0.000 1.940 139 A HA -0.077 4.233 4.320 -0.017 0.000 0.219 139 A C 2.422 179.889 177.584 -0.195 0.000 1.176 139 A CA 1.877 53.792 52.037 -0.204 0.000 0.631 139 A CB -1.564 17.415 19.000 -0.035 0.000 0.814 139 A HN 0.522 nan 8.150 nan 0.000 0.446 140 A N -0.817 121.947 122.820 -0.093 0.000 1.898 140 A HA -0.099 4.211 4.320 -0.017 0.000 0.216 140 A C 2.128 179.660 177.584 -0.088 0.000 1.181 140 A CA 1.722 53.732 52.037 -0.045 0.000 0.620 140 A CB -0.312 18.732 19.000 0.073 0.000 0.819 140 A HN 0.292 nan 8.150 nan 0.000 0.442 141 K N -0.392 119.938 120.400 -0.116 0.000 2.097 141 K HA -0.016 4.294 4.320 -0.017 0.000 0.205 141 K C 1.941 178.441 176.600 -0.168 0.000 1.050 141 K CA 1.165 57.411 56.287 -0.067 0.000 0.938 141 K CB -0.646 31.846 32.500 -0.014 0.000 0.718 141 K HN 0.575 nan 8.250 nan 0.000 0.442 142 L N 0.696 121.672 121.223 -0.413 0.000 2.017 142 L HA -0.150 4.180 4.340 -0.017 0.000 0.208 142 L C 2.177 178.798 176.870 -0.415 0.000 1.073 142 L CA 1.224 55.770 54.840 -0.491 0.000 0.745 142 L CB -0.208 41.425 42.059 -0.709 0.000 0.894 142 L HN 0.048 nan 8.230 nan 0.000 0.432 143 I N 0.051 120.447 120.570 -0.289 0.000 2.163 143 I HA -0.348 3.812 4.170 -0.017 0.000 0.243 143 I C 2.581 178.604 176.117 -0.156 0.000 1.085 143 I CA 1.898 63.122 61.300 -0.127 0.000 1.347 143 I CB -0.409 37.578 38.000 -0.023 0.000 1.044 143 I HN 0.432 nan 8.210 nan 0.000 0.408 144 E N 0.972 121.069 120.200 -0.171 0.000 2.085 144 E HA -0.209 4.131 4.350 -0.017 0.000 0.194 144 E C 2.268 178.580 176.600 -0.481 0.000 0.994 144 E CA 1.387 57.665 56.400 -0.203 0.000 0.801 144 E CB -0.243 29.437 29.700 -0.034 0.000 0.743 144 E HN 0.525 nan 8.360 nan 0.000 0.453 145 G N 0.257 108.702 108.800 -0.592 0.000 2.422 145 G HA2 -0.220 3.730 3.960 -0.017 0.000 0.218 145 G HA3 -0.220 3.730 3.960 -0.017 0.000 0.218 145 G C 1.618 176.267 174.900 -0.419 0.000 1.146 145 G CA 0.906 45.505 45.100 -0.836 0.000 0.769 145 G HN 0.237 nan 8.290 nan 0.000 0.547 146 V N 0.943 120.626 119.914 -0.384 0.000 2.427 146 V HA -0.068 4.041 4.120 -0.017 0.000 0.248 146 V C 2.853 178.882 176.094 -0.108 0.000 1.051 146 V CA 1.171 63.270 62.300 -0.334 0.000 1.048 146 V CB -0.356 31.007 31.823 -0.767 0.000 0.666 146 V HN 0.341 nan 8.190 nan 0.000 0.456 147 L N 0.029 121.193 121.223 -0.099 0.000 2.141 147 L HA -0.180 4.150 4.340 -0.017 0.000 0.209 147 L C 2.301 179.144 176.870 -0.045 0.000 1.094 147 L CA 1.884 56.708 54.840 -0.028 0.000 0.763 147 L CB -0.632 41.346 42.059 -0.134 0.000 0.908 147 L HN 0.396 nan 8.230 nan 0.000 0.437 148 D N 0.016 120.327 120.400 -0.149 0.000 2.117 148 D HA -0.254 4.376 4.640 -0.017 0.000 0.198 148 D C 2.029 178.269 176.300 -0.099 0.000 0.982 148 D CA 1.094 55.042 54.000 -0.087 0.000 0.828 148 D CB -0.016 40.693 40.800 -0.151 0.000 0.967 148 D HN 0.208 nan 8.370 nan 0.000 0.464 149 F N 1.109 120.854 119.950 -0.341 0.000 2.146 149 F HA -0.048 4.469 4.527 -0.016 0.000 0.298 149 F C 2.160 177.790 175.800 -0.283 0.000 1.096 149 F CA 1.284 58.971 58.000 -0.521 0.000 1.275 149 F CB -0.088 38.622 39.000 -0.483 0.000 1.008 149 F HN -0.174 nan 8.300 nan 0.000 0.480 150 K N 0.288 120.682 120.400 -0.010 0.000 2.152 150 K HA -0.192 4.118 4.320 -0.017 0.000 0.206 150 K C 2.218 178.761 176.600 -0.094 0.000 1.048 150 K CA 1.586 57.862 56.287 -0.019 0.000 0.933 150 K CB -0.307 32.260 32.500 0.111 0.000 0.721 150 K HN 0.423 nan 8.250 nan 0.000 0.447 151 S N 0.441 116.094 115.700 -0.078 0.000 2.399 151 S HA -0.177 4.283 4.470 -0.017 0.000 0.231 151 S C 1.970 176.488 174.600 -0.137 0.000 1.022 151 S CA 1.295 59.459 58.200 -0.060 0.000 0.983 151 S CB -0.295 62.896 63.200 -0.014 0.000 0.803 151 S HN 0.323 nan 8.310 nan 0.000 0.480 152 M N 0.613 120.051 119.600 -0.270 0.000 2.200 152 M HA 0.134 4.604 4.480 -0.017 0.000 0.265 152 M C 2.138 178.252 176.300 -0.310 0.000 1.066 152 M CA 1.188 56.296 55.300 -0.320 0.000 1.127 152 M CB -0.503 31.791 32.600 -0.509 0.000 1.379 152 M HN 0.319 nan 8.290 nan 0.000 0.420 153 I N 0.234 120.573 120.570 -0.385 0.000 2.202 153 I HA -0.289 3.871 4.170 -0.017 0.000 0.242 153 I C 1.867 177.908 176.117 -0.126 0.000 1.091 153 I CA 1.150 62.218 61.300 -0.386 0.000 1.368 153 I CB -0.533 37.190 38.000 -0.462 0.000 1.058 153 I HN 0.245 nan 8.210 nan 0.000 0.410 154 D N 0.922 121.273 120.400 -0.083 0.000 2.144 154 D HA -0.144 4.486 4.640 -0.017 0.000 0.199 154 D C 1.590 177.901 176.300 0.017 0.000 0.984 154 D CA 1.164 55.163 54.000 -0.001 0.000 0.834 154 D CB -0.385 40.404 40.800 -0.019 0.000 0.955 154 D HN 0.327 nan 8.370 nan 0.000 0.465 155 N N 0.822 119.511 118.700 -0.018 0.000 2.398 155 N HA -0.036 4.693 4.740 -0.017 0.000 0.188 155 N C -0.324 175.188 175.510 0.004 0.000 1.122 155 N CA 0.125 53.169 53.050 -0.009 0.000 0.866 155 N CB 0.360 38.830 38.487 -0.028 0.000 0.970 155 N HN 0.294 nan 8.380 nan 0.000 0.462 156 E N -0.594 119.625 120.200 0.031 0.000 2.320 156 E HA -0.171 4.169 4.350 -0.017 0.000 0.234 156 E C -0.299 176.297 176.600 -0.007 0.000 1.183 156 E CA 0.829 57.268 56.400 0.066 0.000 0.713 156 E CB -1.807 27.939 29.700 0.077 0.000 1.226 156 E HN 0.470 nan 8.360 nan 0.000 0.382 157 T N -2.795 111.714 114.554 -0.075 0.000 3.182 157 T HA 0.344 4.684 4.350 -0.017 0.000 0.277 157 T C 0.615 175.215 174.700 -0.167 0.000 1.013 157 T CA -0.533 61.508 62.100 -0.099 0.000 0.900 157 T CB 0.210 69.028 68.868 -0.084 0.000 1.098 157 T HN 0.125 nan 8.240 nan 0.000 0.543 158 L N 2.663 123.744 121.223 -0.237 0.000 2.499 158 L HA 0.277 4.607 4.340 -0.017 0.000 0.273 158 L C -1.910 174.811 176.870 -0.248 0.000 1.195 158 L CA -1.678 52.956 54.840 -0.342 0.000 0.882 158 L CB -0.034 41.720 42.059 -0.509 0.000 1.133 158 L HN 0.063 nan 8.230 nan 0.000 0.483 159 P HA 0.024 nan 4.420 nan 0.000 0.268 159 P C -0.621 176.553 177.300 -0.209 0.000 1.208 159 P CA -0.398 62.613 63.100 -0.149 0.000 0.777 159 P CB 0.503 32.155 31.700 -0.080 0.000 0.875 160 V N 2.407 122.181 119.914 -0.233 0.000 2.637 160 V HA 0.037 4.147 4.120 -0.017 0.000 0.296 160 V C 0.751 176.539 176.094 -0.510 0.000 1.046 160 V CA 0.410 62.469 62.300 -0.402 0.000 1.066 160 V CB 0.078 31.653 31.823 -0.414 0.000 0.968 160 V HN 0.532 nan 8.190 nan 0.000 0.483 161 E N 2.710 122.606 120.200 -0.507 0.000 2.212 161 E HA 0.662 5.002 4.350 -0.017 0.000 0.270 161 E C -1.462 174.762 176.600 -0.626 0.000 0.956 161 E CA -0.433 55.736 56.400 -0.384 0.000 0.825 161 E CB 1.896 31.549 29.700 -0.077 0.000 1.167 161 E HN 0.497 nan 8.360 nan 0.000 0.400 162 F N 0.973 120.958 119.950 0.059 0.000 2.603 162 F HA 0.590 5.107 4.527 -0.017 0.000 0.317 162 F C -0.857 174.964 175.800 0.035 0.000 1.066 162 F CA -1.017 57.009 58.000 0.044 0.000 0.941 162 F CB 1.387 40.407 39.000 0.033 0.000 1.291 162 F HN 0.185 nan 8.300 nan 0.000 0.472 163 L N 1.056 122.424 121.223 0.240 0.000 2.562 163 L HA 0.631 4.961 4.340 -0.017 0.000 0.266 163 L C 0.121 177.051 176.870 0.100 0.000 0.949 163 L CA -0.069 54.848 54.840 0.129 0.000 0.879 163 L CB 1.804 43.910 42.059 0.077 0.000 1.278 163 L HN 0.807 nan 8.230 nan 0.000 0.404 164 G N 3.098 111.941 108.800 0.072 0.000 2.258 164 G HA2 0.011 3.961 3.960 -0.017 0.000 0.274 164 G HA3 0.011 3.961 3.960 -0.017 0.000 0.274 164 G C 1.118 176.037 174.900 0.032 0.000 1.021 164 G CA 0.948 46.073 45.100 0.042 0.000 0.798 164 G HN 2.257 nan 8.290 nan 0.000 0.507 165 G N -2.261 106.561 108.800 0.037 0.000 2.168 165 G HA2 -0.239 3.711 3.960 -0.017 0.000 0.263 165 G HA3 -0.239 3.711 3.960 -0.017 0.000 0.263 165 G C 0.224 175.154 174.900 0.050 0.000 0.977 165 G CA 1.098 46.175 45.100 -0.038 0.000 0.659 165 G HN 1.125 nan 8.290 nan 0.000 0.533 166 Q N 0.073 119.975 119.800 0.170 0.000 2.274 166 Q HA 0.455 4.785 4.340 -0.017 0.000 0.260 166 Q C -2.601 173.609 176.000 0.349 0.000 0.974 166 Q CA -2.012 53.906 55.803 0.191 0.000 0.876 166 Q CB 2.040 30.792 28.738 0.024 0.000 1.297 166 Q HN 0.162 nan 8.270 nan 0.000 0.446 167 P HA 0.121 nan 4.420 nan 0.000 0.269 167 P C -0.564 176.754 177.300 0.030 0.000 1.209 167 P CA 0.158 63.320 63.100 0.103 0.000 0.776 167 P CB 0.545 32.345 31.700 0.166 0.000 0.876 168 L N 1.799 123.027 121.223 0.008 0.000 2.330 168 L HA 0.441 4.771 4.340 -0.017 0.000 0.271 168 L C 0.566 177.565 176.870 0.215 0.000 1.013 168 L CA -1.092 53.788 54.840 0.068 0.000 0.816 168 L CB 1.677 43.764 42.059 0.046 0.000 1.287 168 L HN 0.441 nan 8.230 nan 0.000 0.435 169 C N 3.482 122.880 119.300 0.164 0.000 2.642 169 C HA 0.125 4.575 4.460 -0.017 0.000 0.420 169 C C 1.288 176.462 174.990 0.307 0.000 1.349 169 C CA -0.243 58.910 59.018 0.226 0.000 1.821 169 C CB -0.040 27.790 27.740 0.151 0.000 2.637 169 C HN 0.779 nan 8.230 nan 0.000 0.605 170 M N 4.899 124.766 119.600 0.443 0.000 2.346 170 M HA 0.102 4.572 4.480 -0.017 0.000 0.280 170 M C 1.462 178.136 176.300 0.624 0.000 1.075 170 M CA 0.229 55.871 55.300 0.570 0.000 0.989 170 M CB -1.573 31.356 32.600 0.549 0.000 1.447 170 M HN 0.903 nan 8.290 nan 0.000 0.511 171 N N 1.505 120.491 118.700 0.477 0.000 2.149 171 N HA -0.192 4.538 4.740 -0.017 0.000 0.188 171 N C 1.568 177.250 175.510 0.286 0.000 1.019 171 N CA 1.732 55.026 53.050 0.407 0.000 0.857 171 N CB 0.121 38.750 38.487 0.238 0.000 0.997 171 N HN 0.426 nan 8.380 nan 0.000 0.426 172 Q N -1.385 118.487 119.800 0.121 0.000 2.181 172 Q HA -0.180 4.150 4.340 -0.017 0.000 0.205 172 Q C 1.247 177.191 176.000 -0.092 0.000 0.980 172 Q CA 1.334 57.114 55.803 -0.040 0.000 0.862 172 Q CB -0.188 28.439 28.738 -0.186 0.000 0.905 172 Q HN 0.606 nan 8.270 nan 0.000 0.429 173 Y N -1.644 118.692 120.300 0.061 0.000 2.421 173 Y HA -0.174 4.366 4.550 -0.017 0.000 0.292 173 Y C 0.929 176.650 175.900 -0.299 0.000 1.136 173 Y CA 0.792 58.831 58.100 -0.101 0.000 1.255 173 Y CB 0.034 38.391 38.460 -0.171 0.000 0.991 173 Y HN 0.169 nan 8.280 nan 0.000 0.552 174 Y N -0.569 119.790 120.300 0.098 0.000 2.495 174 Y HA 0.067 4.608 4.550 -0.016 0.000 0.293 174 Y C 1.291 177.223 175.900 0.053 0.000 1.186 174 Y CA -0.124 58.001 58.100 0.041 0.000 1.266 174 Y CB 0.174 38.617 38.460 -0.030 0.000 1.101 174 Y HN 0.113 nan 8.280 nan 0.000 0.517 175 Q N -0.658 119.207 119.800 0.109 0.000 2.211 175 Q HA 0.214 4.544 4.340 -0.017 0.000 0.242 175 Q C 1.850 177.888 176.000 0.064 0.000 0.825 175 Q CA 0.378 56.234 55.803 0.088 0.000 0.951 175 Q CB 0.525 29.306 28.738 0.072 0.000 1.130 175 Q HN 0.690 nan 8.270 nan 0.000 0.496 176 I N -2.904 117.689 120.570 0.038 0.000 2.852 176 I HA 0.136 4.296 4.170 -0.017 0.000 0.264 176 I C 0.639 176.814 176.117 0.097 0.000 1.179 176 I CA 0.313 61.635 61.300 0.036 0.000 1.480 176 I CB 0.115 38.095 38.000 -0.032 0.000 1.111 176 I HN -0.138 nan 8.210 nan 0.000 0.441 177 L N 1.415 122.707 121.223 0.114 0.000 2.360 177 L HA 0.368 4.698 4.340 -0.017 0.000 0.271 177 L C 0.704 177.674 176.870 0.167 0.000 1.057 177 L CA -0.717 54.225 54.840 0.170 0.000 0.803 177 L CB 1.450 43.610 42.059 0.168 0.000 1.207 177 L HN 0.177 nan 8.230 nan 0.000 0.445 178 S N 0.345 116.149 115.700 0.173 0.000 3.614 178 S HA -0.164 4.296 4.470 -0.017 0.000 0.360 178 S C -0.014 174.755 174.600 0.281 0.000 1.023 178 S CA 0.888 59.188 58.200 0.167 0.000 1.114 178 S CB -1.505 61.790 63.200 0.159 0.000 0.907 178 S HN 0.873 nan 8.310 nan 0.000 0.470 179 S N -1.572 114.273 115.700 0.241 0.000 2.661 179 S HA 0.900 5.360 4.470 -0.017 0.000 0.285 179 S C -0.470 174.275 174.600 0.243 0.000 1.138 179 S CA -0.403 57.949 58.200 0.253 0.000 0.855 179 S CB 2.604 65.904 63.200 0.166 0.000 1.136 179 S HN 0.945 nan 8.310 nan 0.000 0.484 180 C N 0.536 119.977 119.300 0.235 0.000 3.283 180 C HA 0.657 5.107 4.460 -0.017 0.000 0.359 180 C C -0.702 174.406 174.990 0.197 0.000 1.160 180 C CA -0.485 58.680 59.018 0.244 0.000 1.232 180 C CB 1.453 29.369 27.740 0.294 0.000 1.571 180 C HN 1.204 nan 8.230 nan 0.000 0.522 181 R N 2.542 123.158 120.500 0.193 0.000 2.490 181 R HA 0.769 5.099 4.340 -0.017 0.000 0.278 181 R C -1.293 175.072 176.300 0.109 0.000 1.069 181 R CA -0.166 56.013 56.100 0.131 0.000 1.080 181 R CB 0.974 31.350 30.300 0.125 0.000 1.030 181 R HN 0.613 nan 8.270 nan 0.000 0.491 182 V N 5.787 125.705 119.914 0.006 0.000 2.531 182 V HA 0.357 4.467 4.120 -0.017 0.000 0.301 182 V C -2.305 173.628 176.094 -0.267 0.000 1.034 182 V CA -2.263 59.945 62.300 -0.153 0.000 0.865 182 V CB 1.788 33.553 31.823 -0.097 0.000 0.995 182 V HN 0.852 nan 8.190 nan 0.000 0.424 183 P HA 0.320 nan 4.420 nan 0.000 0.268 183 P C 0.030 177.127 177.300 -0.337 0.000 1.204 183 P CA 0.366 63.172 63.100 -0.490 0.000 0.768 183 P CB 0.712 31.831 31.700 -0.968 0.000 0.842 184 G N 3.261 111.956 108.800 -0.175 0.000 2.524 184 G HA2 0.462 4.412 3.960 -0.017 0.000 0.310 184 G HA3 0.462 4.412 3.960 -0.017 0.000 0.310 184 G C -2.101 172.762 174.900 -0.062 0.000 1.279 184 G CA -1.533 43.509 45.100 -0.096 0.000 0.974 184 G HN 0.190 nan 8.290 nan 0.000 0.484 185 P HA -0.049 nan 4.420 nan 0.000 0.223 185 P C 0.911 178.209 177.300 -0.003 0.000 1.151 185 P CA 1.032 64.124 63.100 -0.014 0.000 0.787 185 P CB 0.663 32.360 31.700 -0.005 0.000 0.788 186 K N -0.579 119.817 120.400 -0.006 0.000 2.325 186 K HA 0.072 4.382 4.320 -0.017 0.000 0.203 186 K C 0.909 177.508 176.600 -0.001 0.000 1.128 186 K CA 0.247 56.535 56.287 0.002 0.000 0.931 186 K CB 0.598 33.101 32.500 0.005 0.000 1.125 186 K HN 0.130 nan 8.250 nan 0.000 0.487 187 Q N 0.327 120.124 119.800 -0.006 0.000 2.482 187 Q HA 0.316 4.646 4.340 -0.017 0.000 0.286 187 Q C -1.653 174.339 176.000 -0.014 0.000 1.007 187 Q CA -1.103 54.697 55.803 -0.004 0.000 0.801 187 Q CB 1.740 30.483 28.738 0.009 0.000 1.455 187 Q HN -0.144 nan 8.270 nan 0.000 0.398 188 D N 1.114 121.508 120.400 -0.011 0.000 2.411 188 D HA 0.529 5.159 4.640 -0.017 0.000 0.251 188 D C -0.288 176.009 176.300 -0.004 0.000 1.201 188 D CA 0.036 54.023 54.000 -0.023 0.000 0.996 188 D CB 1.376 42.170 40.800 -0.011 0.000 1.101 188 D HN 0.662 nan 8.370 nan 0.000 0.504 189 S N -1.451 114.242 115.700 -0.012 0.000 2.697 189 S HA 0.787 5.247 4.470 -0.017 0.000 0.289 189 S C -1.028 173.582 174.600 0.017 0.000 1.149 189 S CA -0.790 57.412 58.200 0.005 0.000 0.850 189 S CB 1.333 64.531 63.200 -0.004 0.000 1.151 189 S HN 0.153 nan 8.310 nan 0.000 0.491 190 V N 1.119 121.046 119.914 0.022 0.000 2.789 190 V HA 0.721 4.831 4.120 -0.017 0.000 0.311 190 V C -0.558 175.540 176.094 0.007 0.000 1.073 190 V CA -0.651 61.670 62.300 0.036 0.000 0.921 190 V CB 1.824 33.673 31.823 0.044 0.000 1.009 190 V HN 1.102 nan 8.190 nan 0.000 0.426 191 V N 1.300 121.225 119.914 0.018 0.000 2.581 191 V HA 0.687 4.797 4.120 -0.017 0.000 0.303 191 V C -0.500 175.525 176.094 -0.115 0.000 1.041 191 V CA -0.614 61.620 62.300 -0.111 0.000 0.907 191 V CB 1.640 33.418 31.823 -0.075 0.000 0.994 191 V HN 0.950 nan 8.190 nan 0.000 0.442 192 N N 2.149 120.673 118.700 -0.293 0.000 2.519 192 N HA 0.539 5.269 4.740 -0.017 0.000 0.286 192 N C -0.771 174.591 175.510 -0.246 0.000 1.079 192 N CA -0.620 52.361 53.050 -0.116 0.000 0.878 192 N CB 1.375 39.846 38.487 -0.027 0.000 1.375 192 N HN 0.667 nan 8.380 nan 0.000 0.514 193 F N 2.633 122.617 119.950 0.057 0.000 2.695 193 F HA 0.195 4.712 4.527 -0.017 0.000 0.303 193 F C 1.660 177.487 175.800 0.045 0.000 1.091 193 F CA -0.437 57.592 58.000 0.048 0.000 1.300 193 F CB 0.178 39.204 39.000 0.042 0.000 1.071 193 F HN 0.467 nan 8.300 nan 0.000 0.578 194 L N 1.016 122.357 121.223 0.197 0.000 2.051 194 L HA -0.210 4.120 4.340 -0.017 0.000 0.214 194 L C 1.394 178.334 176.870 0.117 0.000 1.076 194 L CA 2.110 57.037 54.840 0.145 0.000 0.758 194 L CB -0.395 41.745 42.059 0.136 0.000 0.890 194 L HN 0.025 nan 8.230 nan 0.000 0.433 195 K N -0.618 119.845 120.400 0.104 0.000 2.593 195 K HA 0.206 4.516 4.320 -0.017 0.000 0.208 195 K C 0.518 177.157 176.600 0.066 0.000 1.051 195 K CA 0.222 56.556 56.287 0.079 0.000 1.111 195 K CB 0.193 32.737 32.500 0.072 0.000 0.849 195 K HN 0.424 nan 8.250 nan 0.000 0.479 196 S N 0.073 115.828 115.700 0.091 0.000 2.617 196 S HA 0.154 4.614 4.470 -0.017 0.000 0.259 196 S C 1.291 175.934 174.600 0.071 0.000 1.301 196 S CA -0.613 57.641 58.200 0.091 0.000 0.984 196 S CB 1.058 64.362 63.200 0.173 0.000 0.954 196 S HN -0.004 nan 8.310 nan 0.000 0.572 197 K N 1.111 121.548 120.400 0.062 0.000 2.032 197 K HA -0.143 4.166 4.320 -0.017 0.000 0.209 197 K C 0.977 177.602 176.600 0.040 0.000 1.048 197 K CA 1.592 57.905 56.287 0.044 0.000 0.927 197 K CB -0.519 32.005 32.500 0.040 0.000 0.712 197 K HN 0.868 nan 8.250 nan 0.000 0.441 198 R N 1.320 121.853 120.500 0.055 0.000 2.505 198 R HA 0.360 4.690 4.340 -0.017 0.000 0.284 198 R C -2.796 173.538 176.300 0.056 0.000 1.324 198 R CA -1.726 54.398 56.100 0.041 0.000 1.432 198 R CB 0.339 30.661 30.300 0.036 0.000 1.107 198 R HN -0.184 nan 8.270 nan 0.000 0.587 199 P HA 0.051 nan 4.420 nan 0.000 0.264 199 P C -2.306 175.010 177.300 0.027 0.000 1.183 199 P CA -0.722 62.408 63.100 0.049 0.000 0.763 199 P CB 0.202 31.907 31.700 0.009 0.000 0.807 200 P HA 0.016 nan 4.420 nan 0.000 0.266 200 P C 0.564 177.875 177.300 0.018 0.000 1.195 200 P CA 0.347 63.458 63.100 0.019 0.000 0.768 200 P CB 0.266 31.892 31.700 -0.123 0.000 0.838 201 T N -2.167 112.452 114.554 0.109 0.000 3.084 201 T HA 0.187 4.526 4.350 -0.017 0.000 0.270 201 T C 0.231 175.058 174.700 0.210 0.000 1.008 201 T CA -0.283 61.931 62.100 0.190 0.000 0.900 201 T CB -0.830 68.134 68.868 0.160 0.000 1.084 201 T HN 0.599 nan 8.240 nan 0.000 0.538 202 H N 0.368 119.434 119.070 -0.006 0.000 2.731 202 H HA 0.806 5.352 4.556 -0.017 0.000 0.368 202 H C -0.315 174.912 175.328 -0.169 0.000 1.168 202 H CA -1.531 54.468 56.048 -0.082 0.000 1.181 202 H CB 1.359 31.072 29.762 -0.082 0.000 1.743 202 H HN 0.336 nan 8.280 nan 0.000 0.547 203 I N -0.954 119.456 120.570 -0.266 0.000 3.133 203 I HA 0.685 4.845 4.170 -0.017 0.000 0.311 203 I C -0.715 175.337 176.117 -0.109 0.000 1.072 203 I CA -1.155 59.882 61.300 -0.437 0.000 1.015 203 I CB 2.561 40.106 38.000 -0.758 0.000 1.233 203 I HN 0.793 nan 8.210 nan 0.000 0.473 204 T N 0.532 115.055 114.554 -0.052 0.000 2.856 204 T HA 0.751 5.091 4.350 -0.017 0.000 0.283 204 T C -0.509 174.283 174.700 0.154 0.000 1.008 204 T CA -0.720 61.459 62.100 0.132 0.000 0.997 204 T CB 1.835 70.824 68.868 0.201 0.000 0.992 204 T HN 0.476 nan 8.240 nan 0.000 0.454 205 V N 2.326 122.365 119.914 0.208 0.000 2.540 205 V HA 0.691 4.801 4.120 -0.017 0.000 0.302 205 V C -0.536 175.674 176.094 0.193 0.000 1.035 205 V CA -0.885 61.514 62.300 0.167 0.000 0.873 205 V CB 1.842 33.714 31.823 0.082 0.000 0.992 205 V HN 0.866 nan 8.190 nan 0.000 0.428 206 V N 4.618 124.577 119.914 0.074 0.000 2.540 206 V HA 0.728 4.838 4.120 -0.017 0.000 0.302 206 V C -1.285 174.822 176.094 0.022 0.000 1.035 206 V CA -0.219 62.007 62.300 -0.123 0.000 0.873 206 V CB 1.784 33.273 31.823 -0.557 0.000 0.992 206 V HN 1.058 nan 8.190 nan 0.000 0.428 207 H N 5.829 124.846 119.070 -0.087 0.000 2.877 207 H HA 0.469 5.015 4.556 -0.017 0.000 0.347 207 H C 0.257 175.463 175.328 -0.203 0.000 1.042 207 H CA -0.336 55.615 56.048 -0.163 0.000 1.276 207 H CB 1.028 30.637 29.762 -0.254 0.000 1.681 207 H HN 0.726 nan 8.280 nan 0.000 0.521 208 N N 4.697 122.924 118.700 -0.788 0.000 2.727 208 N HA -0.260 4.470 4.740 -0.017 0.000 0.249 208 N C -0.434 174.760 175.510 -0.527 0.000 1.048 208 N CA 1.653 54.201 53.050 -0.835 0.000 0.714 208 N CB -1.511 36.465 38.487 -0.852 0.000 0.959 208 N HN 0.967 nan 8.380 nan 0.000 0.544 209 Y N -4.086 116.092 120.300 -0.204 0.000 4.929 209 Y HA -0.382 4.158 4.550 -0.017 0.000 0.253 209 Y C 0.541 176.355 175.900 -0.144 0.000 0.946 209 Y CA 0.606 58.617 58.100 -0.148 0.000 1.905 209 Y CB -1.485 36.946 38.460 -0.047 0.000 1.400 209 Y HN 0.328 nan 8.280 nan 0.000 0.531 210 Q N 0.823 120.617 119.800 -0.010 0.000 2.278 210 Q HA 0.497 4.827 4.340 -0.017 0.000 0.257 210 Q C -0.754 175.230 176.000 -0.026 0.000 0.928 210 Q CA -0.598 55.231 55.803 0.044 0.000 0.932 210 Q CB 0.923 29.710 28.738 0.081 0.000 1.221 210 Q HN 0.110 nan 8.270 nan 0.000 0.434 211 F N 1.980 121.964 119.950 0.058 0.000 2.385 211 F HA 0.482 4.999 4.527 -0.016 0.000 0.336 211 F C -0.294 175.388 175.800 -0.196 0.000 1.100 211 F CA -0.358 57.681 58.000 0.066 0.000 1.116 211 F CB 0.719 39.752 39.000 0.055 0.000 1.166 211 F HN 0.389 nan 8.300 nan 0.000 0.511 212 F N 0.458 120.511 119.950 0.171 0.000 2.565 212 F HA 0.302 4.819 4.527 -0.017 0.000 0.313 212 F C -0.215 175.618 175.800 0.055 0.000 1.091 212 F CA -1.194 56.847 58.000 0.070 0.000 0.915 212 F CB 1.859 40.877 39.000 0.030 0.000 1.208 212 F HN 0.373 nan 8.300 nan 0.000 0.453 213 E N 3.168 123.465 120.200 0.161 0.000 2.115 213 E HA 0.460 4.800 4.350 -0.017 0.000 0.282 213 E C -1.731 174.918 176.600 0.083 0.000 0.987 213 E CA -0.700 55.744 56.400 0.073 0.000 0.797 213 E CB 1.027 30.653 29.700 -0.122 0.000 1.086 213 E HN 0.560 nan 8.360 nan 0.000 0.397 214 L N 5.512 126.791 121.223 0.094 0.000 2.316 214 L HA 0.380 4.710 4.340 -0.017 0.000 0.280 214 L C -1.056 175.825 176.870 0.018 0.000 1.006 214 L CA -0.567 54.291 54.840 0.030 0.000 0.836 214 L CB 1.427 43.479 42.059 -0.013 0.000 1.221 214 L HN 0.462 nan 8.230 nan 0.000 0.418 215 D N 3.540 123.945 120.400 0.008 0.000 2.425 215 D HA 0.150 4.780 4.640 -0.017 0.000 0.247 215 D C 0.887 177.137 176.300 -0.084 0.000 1.147 215 D CA 0.332 54.339 54.000 0.012 0.000 0.879 215 D CB 1.893 42.698 40.800 0.009 0.000 1.179 215 D HN 0.491 nan 8.370 nan 0.000 0.456 216 V N 0.379 120.218 119.914 -0.125 0.000 3.276 216 V HA 0.315 4.425 4.120 -0.017 0.000 0.319 216 V C -0.518 175.247 176.094 -0.548 0.000 1.427 216 V CA -0.239 61.866 62.300 -0.325 0.000 1.102 216 V CB -0.888 30.706 31.823 -0.381 0.000 1.020 216 V HN 0.278 nan 8.190 nan 0.000 0.456 217 Y N -0.452 119.755 120.300 -0.155 0.000 2.512 217 Y HA 0.688 5.228 4.550 -0.016 0.000 0.348 217 Y C 0.656 176.448 175.900 -0.180 0.000 0.990 217 Y CA -1.019 56.998 58.100 -0.139 0.000 1.033 217 Y CB 1.393 39.827 38.460 -0.045 0.000 1.259 217 Y HN 0.099 nan 8.280 nan 0.000 0.461 218 H N -0.211 118.957 119.070 0.163 0.000 2.534 218 H HA 0.055 4.601 4.556 -0.017 0.000 0.364 218 H C 1.047 176.429 175.328 0.091 0.000 1.328 218 H CA 0.554 56.658 56.048 0.094 0.000 1.415 218 H CB 1.635 31.437 29.762 0.066 0.000 1.573 218 H HN 0.736 nan 8.280 nan 0.000 0.601 219 S N 0.215 116.035 115.700 0.200 0.000 2.400 219 S HA -0.176 4.284 4.470 -0.017 0.000 0.232 219 S C 1.202 175.859 174.600 0.096 0.000 1.025 219 S CA 1.658 59.926 58.200 0.113 0.000 0.993 219 S CB -0.317 62.931 63.200 0.081 0.000 0.808 219 S HN 0.715 nan 8.310 nan 0.000 0.478 220 D N -0.604 119.865 120.400 0.114 0.000 2.352 220 D HA 0.213 4.843 4.640 -0.017 0.000 0.232 220 D C 1.348 177.699 176.300 0.086 0.000 1.055 220 D CA 0.913 54.960 54.000 0.078 0.000 0.891 220 D CB -0.760 40.073 40.800 0.055 0.000 0.897 220 D HN 0.528 nan 8.370 nan 0.000 0.529 221 G N -0.054 108.814 108.800 0.115 0.000 2.217 221 G HA2 -0.280 3.669 3.960 -0.017 0.000 0.246 221 G HA3 -0.280 3.669 3.960 -0.017 0.000 0.246 221 G C 0.536 175.552 174.900 0.193 0.000 0.990 221 G CA 0.429 45.582 45.100 0.088 0.000 0.627 221 G HN 0.817 nan 8.290 nan 0.000 0.522 222 T N 1.046 115.741 114.554 0.235 0.000 2.907 222 T HA 0.589 4.929 4.350 -0.017 0.000 0.298 222 T C -1.834 173.073 174.700 0.345 0.000 1.017 222 T CA -0.914 61.347 62.100 0.269 0.000 1.118 222 T CB 2.282 71.273 68.868 0.206 0.000 0.948 222 T HN 0.294 nan 8.240 nan 0.000 0.531 223 P HA 0.237 nan 4.420 nan 0.000 0.275 223 P C -0.341 176.925 177.300 -0.055 0.000 1.228 223 P CA -0.711 62.346 63.100 -0.072 0.000 0.786 223 P CB 0.624 32.252 31.700 -0.120 0.000 0.927 224 L N 2.269 123.335 121.223 -0.263 0.000 2.467 224 L HA 0.176 4.506 4.340 -0.017 0.000 0.270 224 L C 1.621 178.471 176.870 -0.033 0.000 1.205 224 L CA 0.809 55.545 54.840 -0.173 0.000 0.828 224 L CB -0.200 41.695 42.059 -0.274 0.000 1.101 224 L HN 0.512 nan 8.230 nan 0.000 0.479 225 T N -2.031 112.556 114.554 0.056 0.000 2.847 225 T HA 0.230 4.570 4.350 -0.017 0.000 0.279 225 T C 1.272 175.993 174.700 0.034 0.000 0.984 225 T CA -0.123 62.011 62.100 0.056 0.000 0.988 225 T CB 0.878 69.790 68.868 0.073 0.000 1.040 225 T HN 0.656 nan 8.240 nan 0.000 0.528 226 S N -0.185 115.542 115.700 0.045 0.000 2.399 226 S HA -0.183 4.277 4.470 -0.017 0.000 0.231 226 S C 1.580 176.217 174.600 0.062 0.000 1.022 226 S CA 1.416 59.640 58.200 0.040 0.000 0.983 226 S CB -0.807 62.418 63.200 0.042 0.000 0.803 226 S HN 0.841 nan 8.310 nan 0.000 0.480 227 D N 1.413 121.846 120.400 0.054 0.000 2.117 227 D HA -0.089 4.541 4.640 -0.017 0.000 0.198 227 D C 2.236 178.614 176.300 0.130 0.000 0.982 227 D CA 1.291 55.338 54.000 0.078 0.000 0.828 227 D CB -0.314 40.508 40.800 0.037 0.000 0.967 227 D HN 0.601 nan 8.370 nan 0.000 0.464 228 Q N -0.430 119.422 119.800 0.087 0.000 2.119 228 Q HA -0.034 4.296 4.340 -0.017 0.000 0.201 228 Q C 2.425 178.445 176.000 0.033 0.000 0.972 228 Q CA 0.829 56.675 55.803 0.071 0.000 0.847 228 Q CB 0.084 28.872 28.738 0.084 0.000 0.903 228 Q HN 0.405 nan 8.270 nan 0.000 0.433 229 I N 0.058 120.640 120.570 0.021 0.000 2.226 229 I HA -0.258 3.902 4.170 -0.017 0.000 0.245 229 I C 2.125 178.243 176.117 0.002 0.000 1.100 229 I CA 0.966 62.255 61.300 -0.018 0.000 1.374 229 I CB -0.241 37.739 38.000 -0.032 0.000 1.057 229 I HN 0.168 nan 8.210 nan 0.000 0.413 230 F N 1.396 121.302 119.950 -0.073 0.000 2.095 230 F HA -0.232 4.285 4.527 -0.017 0.000 0.298 230 F C 2.360 178.112 175.800 -0.081 0.000 1.104 230 F CA 1.662 59.611 58.000 -0.084 0.000 1.232 230 F CB -0.513 38.441 39.000 -0.076 0.000 0.987 230 F HN -0.226 nan 8.300 nan 0.000 0.475 231 V N 0.654 120.520 119.914 -0.080 0.000 2.332 231 V HA -0.326 3.784 4.120 -0.017 0.000 0.248 231 V C 2.486 178.450 176.094 -0.217 0.000 1.055 231 V CA 2.142 64.343 62.300 -0.164 0.000 1.038 231 V CB -0.723 31.097 31.823 -0.005 0.000 0.651 231 V HN 0.406 nan 8.190 nan 0.000 0.450 232 Q N -0.614 119.092 119.800 -0.156 0.000 2.119 232 Q HA -0.053 4.277 4.340 -0.017 0.000 0.201 232 Q C 2.268 178.142 176.000 -0.211 0.000 0.972 232 Q CA 1.341 57.055 55.803 -0.148 0.000 0.847 232 Q CB -0.351 28.324 28.738 -0.105 0.000 0.903 232 Q HN 0.555 nan 8.270 nan 0.000 0.433 233 L N 0.598 121.669 121.223 -0.252 0.000 2.093 233 L HA -0.171 4.159 4.340 -0.017 0.000 0.208 233 L C 2.265 178.948 176.870 -0.312 0.000 1.085 233 L CA 1.046 55.727 54.840 -0.265 0.000 0.755 233 L CB -0.375 41.542 42.059 -0.237 0.000 0.904 233 L HN 0.257 nan 8.230 nan 0.000 0.435 234 E N 0.388 120.315 120.200 -0.454 0.000 2.077 234 E HA -0.234 4.106 4.350 -0.017 0.000 0.193 234 E C 2.179 178.659 176.600 -0.200 0.000 0.989 234 E CA 1.198 57.360 56.400 -0.396 0.000 0.800 234 E CB 0.009 29.407 29.700 -0.502 0.000 0.746 234 E HN 0.465 nan 8.360 nan 0.000 0.452 235 K N 0.562 120.841 120.400 -0.202 0.000 2.026 235 K HA -0.139 4.171 4.320 -0.017 0.000 0.208 235 K C 2.216 178.695 176.600 -0.202 0.000 1.048 235 K CA 1.156 57.356 56.287 -0.144 0.000 0.929 235 K CB -0.199 32.230 32.500 -0.119 0.000 0.713 235 K HN 0.111 nan 8.250 nan 0.000 0.439 236 I N 0.274 120.636 120.570 -0.346 0.000 2.163 236 I HA -0.306 3.854 4.170 -0.017 0.000 0.243 236 I C 2.413 178.210 176.117 -0.534 0.000 1.085 236 I CA 1.134 61.987 61.300 -0.745 0.000 1.347 236 I CB -0.325 37.200 38.000 -0.793 0.000 1.044 236 I HN 0.439 nan 8.210 nan 0.000 0.408 237 W N 2.305 123.313 121.300 -0.488 0.000 2.335 237 W HA -0.239 4.411 4.660 -0.017 0.000 0.311 237 W C 2.268 178.665 176.519 -0.202 0.000 1.213 237 W CA 1.643 58.723 57.345 -0.442 0.000 1.274 237 W CB -0.546 28.641 29.460 -0.454 0.000 1.148 237 W HN 0.219 nan 8.180 nan 0.000 0.498 238 N N 0.157 118.917 118.700 0.101 0.000 2.381 238 N HA -0.108 4.621 4.740 -0.017 0.000 0.182 238 N C 1.430 176.958 175.510 0.030 0.000 1.025 238 N CA 1.413 54.514 53.050 0.085 0.000 0.888 238 N CB -0.346 38.174 38.487 0.054 0.000 0.965 238 N HN -0.008 nan 8.380 nan 0.000 0.438 239 S N -0.407 115.293 115.700 0.001 0.000 2.577 239 S HA 0.070 4.530 4.470 -0.017 0.000 0.219 239 S C 0.720 175.447 174.600 0.212 0.000 0.962 239 S CA -0.233 58.035 58.200 0.113 0.000 0.921 239 S CB 0.268 63.595 63.200 0.211 0.000 0.789 239 S HN 0.347 nan 8.310 nan 0.000 0.497 240 S N 0.117 115.874 115.700 0.095 0.000 2.828 240 S HA 0.346 4.806 4.470 -0.017 0.000 0.240 240 S C 0.584 175.132 174.600 -0.088 0.000 0.912 240 S CA -0.461 57.797 58.200 0.097 0.000 1.100 240 S CB -0.713 62.646 63.200 0.265 0.000 1.271 240 S HN 0.255 nan 8.310 nan 0.000 0.476 241 L N 1.123 122.292 121.223 -0.090 0.000 2.291 241 L HA 0.034 4.363 4.340 -0.017 0.000 0.214 241 L C 1.358 178.141 176.870 -0.145 0.000 1.120 241 L CA 0.811 55.575 54.840 -0.126 0.000 0.799 241 L CB -0.264 41.781 42.059 -0.023 0.000 0.925 241 L HN 0.641 nan 8.230 nan 0.000 0.446 242 Q N -1.408 118.317 119.800 -0.126 0.000 2.297 242 Q HA 0.339 4.669 4.340 -0.017 0.000 0.268 242 Q C -0.448 175.442 176.000 -0.183 0.000 1.045 242 Q CA -0.625 55.101 55.803 -0.128 0.000 0.861 242 Q CB 1.602 30.300 28.738 -0.065 0.000 1.344 242 Q HN -0.146 nan 8.270 nan 0.000 0.452 243 S N 1.936 117.524 115.700 -0.188 0.000 2.738 243 S HA 0.059 4.519 4.470 -0.017 0.000 0.227 243 S C 0.135 174.685 174.600 -0.083 0.000 1.311 243 S CA -0.617 57.449 58.200 -0.224 0.000 1.249 243 S CB -0.562 62.460 63.200 -0.297 0.000 1.030 243 S HN 0.672 nan 8.310 nan 0.000 0.512 244 N N 1.205 119.878 118.700 -0.046 0.000 2.279 244 N HA 0.073 4.803 4.740 -0.017 0.000 0.226 244 N C -0.469 175.061 175.510 0.033 0.000 1.126 244 N CA -0.347 52.702 53.050 -0.002 0.000 0.846 244 N CB 0.305 38.789 38.487 -0.005 0.000 1.050 244 N HN 0.081 nan 8.380 nan 0.000 0.502 245 K N 0.763 121.200 120.400 0.062 0.000 2.371 245 K HA 0.289 4.599 4.320 -0.017 0.000 0.251 245 K C -0.089 176.606 176.600 0.158 0.000 0.934 245 K CA -0.552 55.799 56.287 0.106 0.000 0.798 245 K CB 2.076 34.645 32.500 0.116 0.000 1.204 245 K HN 0.063 nan 8.250 nan 0.000 0.427 246 E N 3.160 123.433 120.200 0.122 0.000 2.414 246 E HA 0.048 4.388 4.350 -0.017 0.000 0.263 246 E C -1.972 174.676 176.600 0.080 0.000 1.000 246 E CA -1.492 54.960 56.400 0.086 0.000 0.914 246 E CB 0.248 29.976 29.700 0.047 0.000 0.948 246 E HN 0.194 nan 8.360 nan 0.000 0.444 247 P HA 0.044 nan 4.420 nan 0.000 0.244 247 P C 0.852 178.083 177.300 -0.115 0.000 1.769 247 P CA 0.006 62.999 63.100 -0.178 0.000 1.102 247 P CB 0.125 31.452 31.700 -0.621 0.000 1.937 248 V N 2.780 122.664 119.914 -0.050 0.000 2.469 248 V HA -0.201 3.909 4.120 -0.017 0.000 0.251 248 V C 2.762 178.784 176.094 -0.121 0.000 1.064 248 V CA 2.623 64.819 62.300 -0.174 0.000 1.066 248 V CB -1.473 30.005 31.823 -0.575 0.000 0.667 248 V HN 0.452 nan 8.190 nan 0.000 0.461 249 G N -0.686 108.188 108.800 0.123 0.000 2.470 249 G HA2 -0.239 3.711 3.960 -0.017 0.000 0.220 249 G HA3 -0.239 3.711 3.960 -0.017 0.000 0.220 249 G C 1.587 176.363 174.900 -0.208 0.000 1.121 249 G CA 0.693 45.862 45.100 0.115 0.000 0.766 249 G HN 0.526 nan 8.290 nan 0.000 0.553 250 I N 0.300 120.756 120.570 -0.191 0.000 2.756 250 I HA -0.049 4.111 4.170 -0.017 0.000 0.262 250 I C 2.393 178.302 176.117 -0.346 0.000 1.225 250 I CA 0.354 61.537 61.300 -0.196 0.000 1.472 250 I CB 0.085 37.976 38.000 -0.181 0.000 1.094 250 I HN 0.148 nan 8.210 nan 0.000 0.454 251 L N 0.218 121.140 121.223 -0.502 0.000 2.127 251 L HA -0.218 4.112 4.340 -0.017 0.000 0.211 251 L C 2.504 178.598 176.870 -1.294 0.000 1.089 251 L CA 1.879 56.287 54.840 -0.720 0.000 0.757 251 L CB -1.062 40.581 42.059 -0.693 0.000 0.899 251 L HN 0.423 nan 8.230 nan 0.000 0.434 252 T N -4.068 109.627 114.554 -1.431 0.000 3.098 252 T HA -0.082 4.258 4.350 -0.017 0.000 0.266 252 T C 1.679 175.960 174.700 -0.698 0.000 1.145 252 T CA 0.890 62.116 62.100 -1.457 0.000 1.092 252 T CB -0.296 67.937 68.868 -1.059 0.000 0.908 252 T HN 0.428 nan 8.240 nan 0.000 0.526 253 S N -0.239 115.164 115.700 -0.495 0.000 2.556 253 S HA 0.203 4.663 4.470 -0.017 0.000 0.216 253 S C 0.723 175.137 174.600 -0.310 0.000 0.970 253 S CA -0.720 57.232 58.200 -0.414 0.000 0.912 253 S CB -0.345 62.632 63.200 -0.371 0.000 0.790 253 S HN 0.386 nan 8.310 nan 0.000 0.504 254 N N 1.817 120.347 118.700 -0.283 0.000 2.413 254 N HA 0.196 4.926 4.740 -0.017 0.000 0.266 254 N C -0.411 175.090 175.510 -0.016 0.000 1.238 254 N CA -0.377 52.608 53.050 -0.110 0.000 0.972 254 N CB 0.499 38.954 38.487 -0.054 0.000 1.210 254 N HN 0.467 nan 8.380 nan 0.000 0.547 255 H N 0.856 119.896 119.070 -0.050 0.000 2.972 255 H HA 0.018 4.564 4.556 -0.017 0.000 0.343 255 H C 1.182 176.518 175.328 0.013 0.000 1.054 255 H CA 0.245 56.261 56.048 -0.053 0.000 1.412 255 H CB 0.743 30.466 29.762 -0.065 0.000 1.385 255 H HN 0.329 nan 8.280 nan 0.000 0.600 256 R N 3.242 123.603 120.500 -0.232 0.000 2.120 256 R HA -0.132 4.197 4.340 -0.017 0.000 0.234 256 R C 1.384 177.750 176.300 0.110 0.000 1.123 256 R CA 1.039 57.122 56.100 -0.028 0.000 0.975 256 R CB -0.628 29.579 30.300 -0.155 0.000 0.866 256 R HN 0.676 nan 8.270 nan 0.000 0.446 257 N N 0.012 118.894 118.700 0.303 0.000 2.106 257 N HA -0.083 4.647 4.740 -0.017 0.000 0.188 257 N C 1.587 177.193 175.510 0.161 0.000 1.029 257 N CA 1.784 54.965 53.050 0.218 0.000 0.848 257 N CB -0.493 38.122 38.487 0.213 0.000 1.007 257 N HN 0.171 nan 8.380 nan 0.000 0.423 258 T N -0.069 114.609 114.554 0.206 0.000 2.737 258 T HA -0.146 4.194 4.350 -0.017 0.000 0.265 258 T C 1.537 176.380 174.700 0.238 0.000 1.038 258 T CA 0.836 63.030 62.100 0.157 0.000 1.144 258 T CB -0.419 68.526 68.868 0.128 0.000 0.866 258 T HN 0.475 nan 8.240 nan 0.000 0.434 259 W N 1.748 123.060 121.300 0.020 0.000 2.402 259 W HA -0.085 4.565 4.660 -0.016 0.000 0.286 259 W C 2.474 179.024 176.519 0.052 0.000 1.221 259 W CA 0.564 57.913 57.345 0.006 0.000 1.257 259 W CB -0.135 29.294 29.460 -0.052 0.000 1.120 259 W HN 0.297 nan 8.180 nan 0.000 0.551 260 A N 0.924 123.723 122.820 -0.036 0.000 1.908 260 A HA -0.278 4.032 4.320 -0.017 0.000 0.218 260 A C 1.963 179.507 177.584 -0.067 0.000 1.181 260 A CA 2.109 54.044 52.037 -0.171 0.000 0.627 260 A CB -0.917 18.035 19.000 -0.081 0.000 0.818 260 A HN 0.387 nan 8.150 nan 0.000 0.445 261 K N -0.601 119.808 120.400 0.015 0.000 2.062 261 K HA 0.035 4.344 4.320 -0.017 0.000 0.205 261 K C 2.139 178.768 176.600 0.049 0.000 1.051 261 K CA 1.020 57.325 56.287 0.031 0.000 0.941 261 K CB -0.286 32.239 32.500 0.042 0.000 0.719 261 K HN 0.348 nan 8.250 nan 0.000 0.440 262 A N 0.222 123.115 122.820 0.123 0.000 1.969 262 A HA -0.171 4.139 4.320 -0.017 0.000 0.218 262 A C 1.994 179.658 177.584 0.134 0.000 1.169 262 A CA 1.164 53.315 52.037 0.191 0.000 0.635 262 A CB -0.732 18.484 19.000 0.360 0.000 0.810 262 A HN 0.581 nan 8.150 nan 0.000 0.445 263 Y N 1.159 121.278 120.300 -0.302 0.000 2.163 263 Y HA -0.204 4.336 4.550 -0.017 0.000 0.288 263 Y C 2.321 178.081 175.900 -0.232 0.000 1.136 263 Y CA 1.938 59.668 58.100 -0.617 0.000 1.147 263 Y CB -0.364 37.321 38.460 -1.292 0.000 0.987 263 Y HN 0.438 nan 8.280 nan 0.000 0.509 264 N N 0.479 119.118 118.700 -0.101 0.000 2.104 264 N HA -0.282 4.448 4.740 -0.017 0.000 0.190 264 N C 1.611 177.051 175.510 -0.116 0.000 1.024 264 N CA 1.770 54.758 53.050 -0.102 0.000 0.853 264 N CB -0.459 38.022 38.487 -0.011 0.000 1.008 264 N HN 0.498 nan 8.380 nan 0.000 0.424 265 N N 0.488 119.152 118.700 -0.060 0.000 2.171 265 N HA -0.108 4.622 4.740 -0.017 0.000 0.184 265 N C 1.874 177.364 175.510 -0.034 0.000 1.021 265 N CA 0.529 53.562 53.050 -0.028 0.000 0.854 265 N CB -0.333 38.161 38.487 0.011 0.000 0.994 265 N HN 0.178 nan 8.380 nan 0.000 0.426 266 L N 1.236 122.437 121.223 -0.037 0.000 2.012 266 L HA -0.037 4.292 4.340 -0.017 0.000 0.210 266 L C 1.656 178.503 176.870 -0.038 0.000 1.073 266 L CA 1.528 56.371 54.840 0.005 0.000 0.748 266 L CB -0.654 41.452 42.059 0.077 0.000 0.891 266 L HN 0.476 nan 8.230 nan 0.000 0.431 267 I N -4.207 116.248 120.570 -0.192 0.000 3.680 267 I HA -0.019 4.141 4.170 -0.017 0.000 0.306 267 I C 1.682 177.738 176.117 -0.101 0.000 1.260 267 I CA 0.347 61.541 61.300 -0.176 0.000 1.201 267 I CB -0.599 37.192 38.000 -0.349 0.000 1.009 267 I HN 0.141 nan 8.210 nan 0.000 0.467 268 K N 1.178 121.538 120.400 -0.066 0.000 2.217 268 K HA -0.062 4.248 4.320 -0.017 0.000 0.202 268 K C 0.410 176.996 176.600 -0.022 0.000 1.051 268 K CA 0.796 57.060 56.287 -0.039 0.000 0.952 268 K CB -0.146 32.340 32.500 -0.024 0.000 0.736 268 K HN 0.438 nan 8.250 nan 0.000 0.453 269 D N 0.811 121.205 120.400 -0.011 0.000 2.264 269 D HA 0.001 4.631 4.640 -0.017 0.000 0.250 269 D C 0.883 177.172 176.300 -0.017 0.000 1.113 269 D CA -0.245 53.753 54.000 -0.003 0.000 0.871 269 D CB 1.088 41.900 40.800 0.019 0.000 1.167 269 D HN 0.024 nan 8.370 nan 0.000 0.447 270 K N 1.954 122.340 120.400 -0.025 0.000 2.063 270 K HA -0.154 4.156 4.320 -0.017 0.000 0.208 270 K C 1.509 178.075 176.600 -0.057 0.000 1.048 270 K CA 1.082 57.346 56.287 -0.037 0.000 0.928 270 K CB -0.434 32.046 32.500 -0.034 0.000 0.713 270 K HN 0.270 nan 8.250 nan 0.000 0.442 271 V N 2.554 122.432 119.914 -0.061 0.000 2.295 271 V HA -0.245 3.865 4.120 -0.017 0.000 0.246 271 V C 1.899 177.906 176.094 -0.145 0.000 1.049 271 V CA 2.052 64.289 62.300 -0.105 0.000 1.024 271 V CB -0.769 30.997 31.823 -0.095 0.000 0.648 271 V HN 0.402 nan 8.190 nan 0.000 0.447 272 N N 0.252 118.914 118.700 -0.064 0.000 2.104 272 N HA -0.208 4.522 4.740 -0.017 0.000 0.190 272 N C 1.939 177.436 175.510 -0.021 0.000 1.024 272 N CA 1.622 54.682 53.050 0.017 0.000 0.853 272 N CB -0.503 38.105 38.487 0.202 0.000 1.008 272 N HN 0.440 nan 8.380 nan 0.000 0.424 273 R N 1.052 121.527 120.500 -0.041 0.000 2.096 273 R HA -0.081 4.249 4.340 -0.017 0.000 0.235 273 R C 1.993 178.245 176.300 -0.080 0.000 1.127 273 R CA 1.327 57.395 56.100 -0.053 0.000 0.968 273 R CB -0.036 30.233 30.300 -0.050 0.000 0.861 273 R HN 0.362 nan 8.270 nan 0.000 0.440 274 E N -0.529 119.600 120.200 -0.118 0.000 2.072 274 E HA -0.120 4.220 4.350 -0.017 0.000 0.190 274 E C 1.591 178.062 176.600 -0.216 0.000 0.982 274 E CA 1.377 57.688 56.400 -0.147 0.000 0.803 274 E CB 0.088 29.698 29.700 -0.149 0.000 0.755 274 E HN 0.260 nan 8.360 nan 0.000 0.453 275 S N 0.001 115.514 115.700 -0.312 0.000 2.368 275 S HA -0.111 4.348 4.470 -0.017 0.000 0.224 275 S C 2.008 176.381 174.600 -0.379 0.000 1.029 275 S CA 1.013 58.937 58.200 -0.461 0.000 0.988 275 S CB -0.061 62.582 63.200 -0.929 0.000 0.838 275 S HN 0.147 nan 8.310 nan 0.000 0.462 276 V N 2.805 122.586 119.914 -0.222 0.000 2.343 276 V HA -0.199 3.911 4.120 -0.017 0.000 0.247 276 V C 2.247 178.245 176.094 -0.159 0.000 1.051 276 V CA 1.660 63.855 62.300 -0.176 0.000 1.036 276 V CB -0.807 31.075 31.823 0.098 0.000 0.654 276 V HN 0.581 nan 8.190 nan 0.000 0.451 277 N N -0.339 118.298 118.700 -0.104 0.000 2.069 277 N HA -0.227 4.503 4.740 -0.017 0.000 0.191 277 N C 2.162 177.577 175.510 -0.158 0.000 1.031 277 N CA 1.646 54.646 53.050 -0.084 0.000 0.852 277 N CB -0.033 38.411 38.487 -0.072 0.000 1.018 277 N HN 0.433 nan 8.380 nan 0.000 0.423 278 S N 0.561 116.149 115.700 -0.187 0.000 2.368 278 S HA -0.064 4.396 4.470 -0.017 0.000 0.225 278 S C 2.040 176.609 174.600 -0.052 0.000 1.030 278 S CA 0.792 58.906 58.200 -0.144 0.000 0.999 278 S CB -0.251 62.813 63.200 -0.226 0.000 0.844 278 S HN 0.319 nan 8.310 nan 0.000 0.459 279 I N 1.317 121.746 120.570 -0.234 0.000 2.179 279 I HA -0.225 3.935 4.170 -0.017 0.000 0.242 279 I C 2.784 178.778 176.117 -0.205 0.000 1.088 279 I CA 1.447 62.558 61.300 -0.315 0.000 1.357 279 I CB -0.454 37.052 38.000 -0.823 0.000 1.051 279 I HN 0.415 nan 8.210 nan 0.000 0.409 280 Q N 0.648 120.351 119.800 -0.162 0.000 2.170 280 Q HA -0.218 4.112 4.340 -0.017 0.000 0.203 280 Q C 2.084 178.043 176.000 -0.068 0.000 0.976 280 Q CA 1.335 57.144 55.803 0.011 0.000 0.858 280 Q CB -0.111 28.717 28.738 0.151 0.000 0.907 280 Q HN 0.514 nan 8.270 nan 0.000 0.433 281 K N 0.850 121.037 120.400 -0.354 0.000 2.243 281 K HA 0.016 4.326 4.320 -0.017 0.000 0.201 281 K C 0.869 177.239 176.600 -0.384 0.000 1.051 281 K CA 0.326 56.206 56.287 -0.677 0.000 0.970 281 K CB 0.162 32.207 32.500 -0.758 0.000 0.755 281 K HN 0.122 nan 8.250 nan 0.000 0.465 282 S N 1.028 116.509 115.700 -0.365 0.000 2.561 282 S HA -0.056 4.404 4.470 -0.017 0.000 0.294 282 S C 1.281 175.703 174.600 -0.297 0.000 1.294 282 S CA -0.208 57.640 58.200 -0.587 0.000 1.055 282 S CB 0.222 63.229 63.200 -0.321 0.000 0.819 282 S HN 0.120 nan 8.310 nan 0.000 0.503 283 I N 1.288 121.654 120.570 -0.341 0.000 2.208 283 I HA -0.051 4.109 4.170 -0.017 0.000 0.245 283 I C 0.739 176.951 176.117 0.158 0.000 1.097 283 I CA 1.441 62.698 61.300 -0.072 0.000 1.363 283 I CB -0.488 37.467 38.000 -0.074 0.000 1.051 283 I HN 0.825 nan 8.210 nan 0.000 0.413 284 F N -2.970 117.004 119.950 0.040 0.000 2.900 284 F HA 0.509 5.026 4.527 -0.017 0.000 0.321 284 F C -0.973 174.916 175.800 0.148 0.000 1.160 284 F CA -1.236 56.848 58.000 0.141 0.000 0.890 284 F CB 0.740 39.908 39.000 0.279 0.000 1.334 284 F HN -0.514 nan 8.300 nan 0.000 0.459 285 T N 1.620 116.470 114.554 0.492 0.000 2.855 285 T HA 0.694 5.034 4.350 -0.017 0.000 0.281 285 T C -1.199 173.801 174.700 0.501 0.000 1.007 285 T CA -0.655 61.665 62.100 0.367 0.000 1.009 285 T CB 1.889 70.948 68.868 0.318 0.000 0.983 285 T HN 0.599 nan 8.240 nan 0.000 0.455 286 V N 2.394 122.522 119.914 0.356 0.000 2.409 286 V HA 0.343 4.453 4.120 -0.017 0.000 0.291 286 V C -0.336 175.894 176.094 0.227 0.000 1.020 286 V CA -0.840 61.660 62.300 0.333 0.000 0.848 286 V CB 1.355 33.334 31.823 0.260 0.000 0.990 286 V HN 1.070 nan 8.190 nan 0.000 0.430 287 C N 6.420 125.852 119.300 0.219 0.000 2.264 287 C HA 0.540 4.990 4.460 -0.017 0.000 0.324 287 C C 0.325 175.432 174.990 0.194 0.000 1.267 287 C CA -0.943 58.175 59.018 0.166 0.000 1.618 287 C CB -0.271 27.549 27.740 0.134 0.000 2.278 287 C HN 0.708 nan 8.230 nan 0.000 0.499 288 L N 3.887 125.231 121.223 0.201 0.000 2.328 288 L HA 0.254 4.584 4.340 -0.017 0.000 0.280 288 L C -0.123 176.924 176.870 0.295 0.000 1.111 288 L CA 0.112 55.117 54.840 0.275 0.000 0.909 288 L CB -0.215 42.026 42.059 0.303 0.000 1.277 288 L HN 0.621 nan 8.230 nan 0.000 0.433 289 D N 2.743 123.300 120.400 0.261 0.000 2.362 289 D HA 0.145 4.775 4.640 -0.017 0.000 0.242 289 D C 0.273 176.717 176.300 0.240 0.000 1.132 289 D CA -0.109 54.024 54.000 0.222 0.000 0.907 289 D CB 0.982 41.911 40.800 0.215 0.000 1.195 289 D HN 0.383 nan 8.370 nan 0.000 0.429 290 K N 0.384 120.880 120.400 0.160 0.000 2.098 290 K HA 0.236 4.546 4.320 -0.017 0.000 0.257 290 K C 0.188 176.900 176.600 0.187 0.000 0.999 290 K CA -0.872 55.498 56.287 0.139 0.000 0.924 290 K CB 1.007 33.507 32.500 -0.000 0.000 1.028 290 K HN 0.305 nan 8.250 nan 0.000 0.466 291 Q N 1.315 121.224 119.800 0.182 0.000 2.361 291 Q HA 0.116 4.445 4.340 -0.017 0.000 0.276 291 Q C -0.552 175.553 176.000 0.176 0.000 1.022 291 Q CA -0.523 55.389 55.803 0.181 0.000 0.898 291 Q CB 0.773 29.605 28.738 0.156 0.000 1.246 291 Q HN 0.560 nan 8.270 nan 0.000 0.410 292 V N 0.877 120.919 119.914 0.213 0.000 3.001 292 V HA 0.679 4.789 4.120 -0.017 0.000 0.314 292 V C -2.502 173.731 176.094 0.232 0.000 1.099 292 V CA -2.300 60.170 62.300 0.283 0.000 0.989 292 V CB 0.903 32.973 31.823 0.412 0.000 1.040 292 V HN 0.791 nan 8.190 nan 0.000 0.434 293 P HA 0.233 nan 4.420 nan 0.000 0.266 293 P C -0.247 177.138 177.300 0.142 0.000 1.195 293 P CA -0.142 63.066 63.100 0.179 0.000 0.768 293 P CB 0.336 32.160 31.700 0.208 0.000 0.838 294 R N 1.744 122.297 120.500 0.088 0.000 2.694 294 R HA 0.332 4.662 4.340 -0.017 0.000 0.268 294 R C -0.408 175.901 176.300 0.015 0.000 1.061 294 R CA -0.267 55.865 56.100 0.053 0.000 1.133 294 R CB 0.222 30.535 30.300 0.022 0.000 1.020 294 R HN 0.393 nan 8.270 nan 0.000 0.475 295 V N -0.595 119.308 119.914 -0.017 0.000 3.102 295 V HA 0.477 4.587 4.120 -0.017 0.000 0.312 295 V C -0.327 175.738 176.094 -0.049 0.000 1.135 295 V CA -1.100 61.140 62.300 -0.100 0.000 1.022 295 V CB 1.914 33.510 31.823 -0.377 0.000 1.056 295 V HN 0.832 nan 8.190 nan 0.000 0.436 296 S N 1.493 117.166 115.700 -0.045 0.000 2.558 296 S HA 0.042 4.502 4.470 -0.017 0.000 0.287 296 S C 0.789 175.399 174.600 0.017 0.000 1.321 296 S CA 0.256 58.450 58.200 -0.010 0.000 1.048 296 S CB 0.224 63.428 63.200 0.007 0.000 0.844 296 S HN 0.914 nan 8.310 nan 0.000 0.512 297 D N 1.602 122.004 120.400 0.003 0.000 2.264 297 D HA -0.125 4.505 4.640 -0.017 0.000 0.208 297 D C 1.528 177.871 176.300 0.073 0.000 0.966 297 D CA 0.877 54.886 54.000 0.016 0.000 0.864 297 D CB -0.149 40.630 40.800 -0.035 0.000 0.933 297 D HN 0.732 nan 8.370 nan 0.000 0.499 298 D N 0.906 121.342 120.400 0.061 0.000 2.317 298 D HA -0.107 4.523 4.640 -0.017 0.000 0.211 298 D C 1.728 178.090 176.300 0.104 0.000 0.966 298 D CA 0.554 54.599 54.000 0.075 0.000 0.876 298 D CB 0.013 40.849 40.800 0.059 0.000 0.927 298 D HN 0.263 nan 8.370 nan 0.000 0.519 299 V N -3.204 116.779 119.914 0.115 0.000 3.477 299 V HA 0.214 4.324 4.120 -0.017 0.000 0.297 299 V C 1.926 178.138 176.094 0.195 0.000 1.433 299 V CA -0.595 61.800 62.300 0.159 0.000 1.052 299 V CB -0.887 31.043 31.823 0.179 0.000 0.895 299 V HN -0.061 nan 8.190 nan 0.000 0.438 300 Y N 2.747 123.061 120.300 0.024 0.000 2.070 300 Y HA -0.137 4.406 4.550 -0.011 0.000 0.280 300 Y C 2.707 178.650 175.900 0.071 0.000 1.148 300 Y CA 2.210 60.317 58.100 0.011 0.000 1.125 300 Y CB -0.097 38.354 38.460 -0.015 0.000 0.975 300 Y HN 0.129 nan 8.280 nan 0.000 0.492 301 R N 0.635 121.130 120.500 -0.009 0.000 2.105 301 R HA -0.162 4.167 4.340 -0.017 0.000 0.239 301 R C 1.732 177.983 176.300 -0.081 0.000 1.135 301 R CA 1.364 57.408 56.100 -0.093 0.000 0.967 301 R CB -1.244 29.079 30.300 0.038 0.000 0.861 301 R HN 0.486 nan 8.270 nan 0.000 0.442 302 N N 0.280 118.984 118.700 0.008 0.000 2.188 302 N HA -0.119 4.610 4.740 -0.017 0.000 0.184 302 N C 1.676 177.148 175.510 -0.064 0.000 1.018 302 N CA 1.111 54.159 53.050 -0.003 0.000 0.858 302 N CB -0.424 38.090 38.487 0.045 0.000 0.989 302 N HN 0.385 nan 8.380 nan 0.000 0.426 303 H N -0.068 118.913 119.070 -0.149 0.000 2.423 303 H HA 0.082 4.629 4.556 -0.015 0.000 0.297 303 H C 2.018 177.207 175.328 -0.230 0.000 1.075 303 H CA 0.685 56.631 56.048 -0.170 0.000 1.342 303 H CB -0.081 29.596 29.762 -0.141 0.000 1.395 303 H HN -0.063 nan 8.280 nan 0.000 0.530 304 V N 0.427 120.214 119.914 -0.212 0.000 2.358 304 V HA -0.246 3.864 4.120 -0.017 0.000 0.246 304 V C 2.568 178.566 176.094 -0.159 0.000 1.047 304 V CA 1.602 63.765 62.300 -0.229 0.000 1.035 304 V CB -1.020 30.605 31.823 -0.330 0.000 0.658 304 V HN 0.564 nan 8.190 nan 0.000 0.452 305 A N 0.641 123.374 122.820 -0.146 0.000 1.908 305 A HA -0.127 4.183 4.320 -0.017 0.000 0.218 305 A C 2.421 179.882 177.584 -0.205 0.000 1.181 305 A CA 2.058 54.019 52.037 -0.126 0.000 0.627 305 A CB -1.252 17.694 19.000 -0.091 0.000 0.818 305 A HN 0.533 nan 8.150 nan 0.000 0.445 306 G N -0.996 107.642 108.800 -0.269 0.000 2.418 306 G HA2 -0.282 3.668 3.960 -0.017 0.000 0.217 306 G HA3 -0.282 3.668 3.960 -0.017 0.000 0.217 306 G C 1.617 176.098 174.900 -0.697 0.000 1.158 306 G CA 1.104 45.882 45.100 -0.537 0.000 0.771 306 G HN 0.643 nan 8.290 nan 0.000 0.545 307 Q N -0.757 118.844 119.800 -0.332 0.000 2.096 307 Q HA -0.124 4.206 4.340 -0.017 0.000 0.204 307 Q C 2.495 178.420 176.000 -0.125 0.000 0.982 307 Q CA 1.407 57.102 55.803 -0.181 0.000 0.850 307 Q CB -0.128 28.574 28.738 -0.060 0.000 0.901 307 Q HN 0.355 nan 8.270 nan 0.000 0.422 308 M N -0.308 119.222 119.600 -0.118 0.000 2.288 308 M HA -0.061 4.409 4.480 -0.017 0.000 0.266 308 M C 2.045 178.323 176.300 -0.036 0.000 1.072 308 M CA 0.753 56.029 55.300 -0.040 0.000 1.132 308 M CB -0.880 31.706 32.600 -0.023 0.000 1.386 308 M HN 0.280 nan 8.290 nan 0.000 0.432 309 L N 0.491 121.627 121.223 -0.145 0.000 2.068 309 L HA -0.127 4.203 4.340 -0.017 0.000 0.204 309 L C 2.426 179.268 176.870 -0.047 0.000 1.076 309 L CA 1.806 56.583 54.840 -0.105 0.000 0.753 309 L CB -0.452 41.527 42.059 -0.134 0.000 0.910 309 L HN 0.538 nan 8.230 nan 0.000 0.439 310 H N -4.591 114.483 119.070 0.007 0.000 3.622 310 H HA 0.388 4.934 4.556 -0.017 0.000 0.259 310 H C 1.335 176.750 175.328 0.146 0.000 1.145 310 H CA 0.673 56.710 56.048 -0.017 0.000 1.178 310 H CB 0.627 30.294 29.762 -0.158 0.000 1.542 310 H HN 0.226 nan 8.280 nan 0.000 0.586 311 G N 0.704 109.541 108.800 0.063 0.000 2.213 311 G HA2 -0.216 3.734 3.960 -0.017 0.000 0.226 311 G HA3 -0.216 3.734 3.960 -0.017 0.000 0.226 311 G C 1.313 176.324 174.900 0.185 0.000 0.992 311 G CA 0.707 45.913 45.100 0.176 0.000 0.632 311 G HN 1.366 nan 8.290 nan 0.000 0.511 312 G N -1.066 107.909 108.800 0.291 0.000 2.195 312 G HA2 0.462 4.412 3.960 -0.017 0.000 0.246 312 G HA3 0.462 4.412 3.960 -0.017 0.000 0.246 312 G C 1.459 176.420 174.900 0.101 0.000 0.984 312 G CA 0.835 45.986 45.100 0.084 0.000 0.633 312 G HN 2.954 nan 8.290 nan 0.000 0.525 313 G N -1.685 107.269 108.800 0.257 0.000 2.357 313 G HA2 0.451 4.401 3.960 -0.017 0.000 0.643 313 G HA3 0.451 4.401 3.960 -0.017 0.000 0.643 313 G C 0.830 175.892 174.900 0.271 0.000 1.358 313 G CA 0.894 46.149 45.100 0.257 0.000 0.986 313 G HN 1.790 nan 8.290 nan 0.000 0.620 314 S N -0.662 115.126 115.700 0.147 0.000 2.442 314 S HA -0.133 4.327 4.470 -0.017 0.000 0.236 314 S C 1.751 176.410 174.600 0.098 0.000 1.007 314 S CA 1.901 60.137 58.200 0.059 0.000 0.965 314 S CB -0.274 62.930 63.200 0.007 0.000 0.773 314 S HN 1.159 nan 8.310 nan 0.000 0.504 315 K N -0.825 119.649 120.400 0.124 0.000 2.374 315 K HA 0.307 4.617 4.320 -0.017 0.000 0.196 315 K C 0.335 176.797 176.600 -0.231 0.000 1.023 315 K CA -0.122 56.126 56.287 -0.065 0.000 1.103 315 K CB -0.064 32.304 32.500 -0.219 0.000 0.848 315 K HN 0.403 nan 8.250 nan 0.000 0.528 316 F N 1.348 121.393 119.950 0.159 0.000 2.243 316 F HA 0.272 4.788 4.527 -0.018 0.000 0.205 316 F C 1.417 177.347 175.800 0.216 0.000 1.141 316 F CA -0.525 57.572 58.000 0.162 0.000 1.193 316 F CB -0.082 39.003 39.000 0.143 0.000 1.576 316 F HN -0.131 nan 8.300 nan 0.000 0.484 317 N N -0.747 118.215 118.700 0.437 0.000 2.170 317 N HA 0.101 4.831 4.740 -0.017 0.000 0.222 317 N C 1.018 176.682 175.510 0.256 0.000 1.218 317 N CA 0.252 53.501 53.050 0.332 0.000 0.889 317 N CB 0.709 39.349 38.487 0.255 0.000 1.083 317 N HN 0.078 nan 8.380 nan 0.000 0.520 318 S N 0.190 116.033 115.700 0.239 0.000 2.419 318 S HA -0.066 4.394 4.470 -0.017 0.000 0.233 318 S C 1.912 176.563 174.600 0.086 0.000 1.016 318 S CA 1.192 59.523 58.200 0.217 0.000 0.974 318 S CB -0.098 63.211 63.200 0.182 0.000 0.786 318 S HN 0.507 nan 8.310 nan 0.000 0.492 319 G N 0.831 109.551 108.800 -0.133 0.000 2.712 319 G HA2 -0.047 3.903 3.960 -0.017 0.000 0.212 319 G HA3 -0.047 3.903 3.960 -0.017 0.000 0.212 319 G C 0.736 175.548 174.900 -0.146 0.000 1.142 319 G CA -0.140 44.700 45.100 -0.432 0.000 0.789 319 G HN 0.402 nan 8.290 nan 0.000 0.535 320 N N 0.855 119.624 118.700 0.114 0.000 2.802 320 N HA 0.179 4.909 4.740 -0.017 0.000 0.288 320 N C -0.063 175.453 175.510 0.011 0.000 1.268 320 N CA -0.087 53.047 53.050 0.140 0.000 1.035 320 N CB -0.067 38.539 38.487 0.199 0.000 1.353 320 N HN 0.084 nan 8.380 nan 0.000 0.522 321 R N -0.438 120.066 120.500 0.006 0.000 2.752 321 R HA 0.310 4.639 4.340 -0.017 0.000 0.271 321 R C -1.529 174.877 176.300 0.177 0.000 1.026 321 R CA -0.629 55.401 56.100 -0.116 0.000 0.901 321 R CB 1.081 30.929 30.300 -0.753 0.000 1.243 321 R HN 0.230 nan 8.270 nan 0.000 0.463 322 W N 2.851 124.076 121.300 -0.124 0.000 2.451 322 W HA 0.261 4.911 4.660 -0.017 0.000 0.285 322 W C -0.778 175.695 176.519 -0.078 0.000 1.024 322 W CA -0.659 56.691 57.345 0.007 0.000 1.421 322 W CB 0.356 29.888 29.460 0.121 0.000 1.319 322 W HN 0.644 nan 8.180 nan 0.000 0.366 323 F N 1.362 121.243 119.950 -0.115 0.000 2.583 323 F HA -0.162 4.355 4.527 -0.017 0.000 0.297 323 F C 1.820 177.611 175.800 -0.015 0.000 1.131 323 F CA 1.091 59.049 58.000 -0.070 0.000 1.467 323 F CB -0.035 38.870 39.000 -0.157 0.000 1.097 323 F HN 0.026 nan 8.300 nan 0.000 0.586 324 D N -0.074 120.402 120.400 0.127 0.000 2.323 324 D HA -0.058 4.571 4.640 -0.017 0.000 0.209 324 D C 1.044 177.546 176.300 0.336 0.000 0.973 324 D CA 0.614 54.765 54.000 0.252 0.000 0.874 324 D CB -0.098 40.912 40.800 0.350 0.000 0.930 324 D HN 0.000 nan 8.370 nan 0.000 0.521 325 K N 0.905 121.560 120.400 0.425 0.000 2.412 325 K HA 0.035 4.345 4.320 -0.017 0.000 0.281 325 K C 1.066 177.806 176.600 0.234 0.000 1.027 325 K CA 0.260 56.754 56.287 0.344 0.000 0.989 325 K CB 0.607 33.319 32.500 0.353 0.000 0.935 325 K HN -0.222 nan 8.250 nan 0.000 0.475 326 T N 3.494 118.170 114.554 0.204 0.000 2.652 326 T HA -0.078 4.262 4.350 -0.017 0.000 0.267 326 T C 0.368 175.147 174.700 0.132 0.000 1.039 326 T CA 1.159 63.356 62.100 0.162 0.000 1.153 326 T CB -0.079 68.873 68.868 0.140 0.000 0.863 326 T HN 0.405 nan 8.240 nan 0.000 0.428 327 L N 1.496 122.796 121.223 0.127 0.000 2.349 327 L HA 0.471 4.801 4.340 -0.017 0.000 0.278 327 L C -0.574 176.327 176.870 0.053 0.000 0.996 327 L CA -0.555 54.289 54.840 0.008 0.000 0.825 327 L CB 1.868 43.923 42.059 -0.007 0.000 1.243 327 L HN 0.088 nan 8.230 nan 0.000 0.412 328 Q N 3.471 123.216 119.800 -0.091 0.000 2.309 328 Q HA 0.499 4.829 4.340 -0.017 0.000 0.270 328 Q C -1.485 174.435 176.000 -0.135 0.000 1.023 328 Q CA -0.535 55.283 55.803 0.025 0.000 0.758 328 Q CB 2.646 31.402 28.738 0.030 0.000 1.247 328 Q HN 0.374 nan 8.270 nan 0.000 0.455 329 F N 2.612 122.632 119.950 0.117 0.000 2.420 329 F HA 0.484 5.001 4.527 -0.017 0.000 0.342 329 F C 0.161 176.034 175.800 0.122 0.000 1.113 329 F CA -0.615 57.435 58.000 0.084 0.000 1.059 329 F CB 0.928 39.942 39.000 0.024 0.000 1.128 329 F HN 0.321 nan 8.300 nan 0.000 0.475 330 I N 3.929 124.661 120.570 0.271 0.000 2.362 330 I HA 0.403 4.563 4.170 -0.017 0.000 0.289 330 I C -1.009 175.282 176.117 0.290 0.000 0.994 330 I CA -0.811 60.629 61.300 0.235 0.000 1.158 330 I CB 1.649 39.745 38.000 0.160 0.000 1.315 330 I HN 0.181 nan 8.210 nan 0.000 0.451 331 V N 6.146 126.242 119.914 0.305 0.000 2.326 331 V HA 0.537 4.647 4.120 -0.017 0.000 0.281 331 V C 0.520 176.829 176.094 0.360 0.000 1.015 331 V CA -0.595 61.937 62.300 0.385 0.000 0.823 331 V CB 1.234 33.288 31.823 0.385 0.000 1.009 331 V HN 0.839 nan 8.190 nan 0.000 0.436 332 A N 3.157 126.193 122.820 0.360 0.000 2.351 332 A HA 0.422 4.732 4.320 -0.017 0.000 0.257 332 A C 1.334 179.170 177.584 0.420 0.000 1.087 332 A CA -0.132 52.098 52.037 0.322 0.000 0.798 332 A CB 0.483 19.620 19.000 0.229 0.000 1.033 332 A HN 0.811 nan 8.150 nan 0.000 0.488 333 E N 0.708 121.120 120.200 0.353 0.000 2.110 333 E HA -0.221 4.119 4.350 -0.017 0.000 0.193 333 E C 0.766 177.589 176.600 0.371 0.000 0.988 333 E CA 1.810 58.431 56.400 0.368 0.000 0.804 333 E CB -0.074 29.803 29.700 0.296 0.000 0.745 333 E HN 0.809 nan 8.360 nan 0.000 0.458 334 D N -1.530 119.019 120.400 0.249 0.000 2.328 334 D HA 0.063 4.693 4.640 -0.017 0.000 0.226 334 D C 1.248 177.498 176.300 -0.083 0.000 1.066 334 D CA 0.965 55.039 54.000 0.124 0.000 0.861 334 D CB 0.190 41.074 40.800 0.139 0.000 0.912 334 D HN 0.301 nan 8.370 nan 0.000 0.521 335 G N -0.613 108.028 108.800 -0.264 0.000 2.278 335 G HA2 -0.229 3.721 3.960 -0.017 0.000 0.210 335 G HA3 -0.229 3.721 3.960 -0.017 0.000 0.210 335 G C 0.404 175.038 174.900 -0.444 0.000 1.000 335 G CA 0.076 44.593 45.100 -0.972 0.000 0.635 335 G HN 0.393 nan 8.290 nan 0.000 0.495 336 S N 0.459 116.105 115.700 -0.090 0.000 2.579 336 S HA 0.572 5.032 4.470 -0.017 0.000 0.275 336 S C 0.574 175.227 174.600 0.089 0.000 1.345 336 S CA 0.503 58.703 58.200 0.000 0.000 1.031 336 S CB 1.234 64.459 63.200 0.042 0.000 0.892 336 S HN 1.720 nan 8.310 nan 0.000 0.529 337 C N -0.352 119.005 119.300 0.095 0.000 3.285 337 C HA 1.028 5.477 4.460 -0.017 0.000 0.325 337 C C 0.155 175.242 174.990 0.161 0.000 1.304 337 C CA -0.117 59.023 59.018 0.202 0.000 1.319 337 C CB 0.872 28.807 27.740 0.325 0.000 1.640 337 C HN 1.071 nan 8.230 nan 0.000 0.477 338 G N 0.714 109.627 108.800 0.188 0.000 2.435 338 G HA2 0.720 4.670 3.960 -0.017 0.000 0.296 338 G HA3 0.720 4.670 3.960 -0.017 0.000 0.296 338 G C -1.717 173.247 174.900 0.106 0.000 1.240 338 G CA -0.518 44.658 45.100 0.128 0.000 0.872 338 G HN 0.984 nan 8.290 nan 0.000 0.480 339 M N -0.968 118.649 119.600 0.028 0.000 2.813 339 M HA 0.690 5.160 4.480 -0.017 0.000 0.270 339 M C -1.593 174.699 176.300 -0.013 0.000 1.267 339 M CA -0.954 54.306 55.300 -0.066 0.000 0.822 339 M CB 2.643 35.102 32.600 -0.234 0.000 1.671 339 M HN 0.818 nan 8.290 nan 0.000 0.468 340 V N 1.872 121.774 119.914 -0.020 0.000 2.711 340 V HA 0.695 4.805 4.120 -0.017 0.000 0.304 340 V C -2.211 173.915 176.094 0.053 0.000 1.097 340 V CA -0.268 62.052 62.300 0.034 0.000 0.906 340 V CB 1.979 33.874 31.823 0.119 0.000 1.015 340 V HN 0.762 nan 8.190 nan 0.000 0.427 341 Y N 3.416 123.676 120.300 -0.067 0.000 2.485 341 Y HA 0.774 5.314 4.550 -0.017 0.000 0.345 341 Y C -0.298 175.576 175.900 -0.044 0.000 0.998 341 Y CA -1.090 56.957 58.100 -0.089 0.000 1.059 341 Y CB 1.561 39.919 38.460 -0.169 0.000 1.234 341 Y HN 0.597 nan 8.280 nan 0.000 0.461 342 E N 2.801 123.083 120.200 0.136 0.000 2.257 342 E HA 0.004 4.344 4.350 -0.017 0.000 0.278 342 E C 0.332 176.981 176.600 0.081 0.000 1.049 342 E CA 0.244 56.688 56.400 0.074 0.000 0.876 342 E CB 0.271 30.044 29.700 0.122 0.000 1.035 342 E HN 0.939 nan 8.360 nan 0.000 0.419 343 H N 3.910 122.876 119.070 -0.173 0.000 2.489 343 H HA -0.046 4.500 4.556 -0.017 0.000 0.293 343 H C 1.437 176.387 175.328 -0.630 0.000 1.066 343 H CA 1.346 57.201 56.048 -0.321 0.000 1.305 343 H CB 0.295 29.795 29.762 -0.436 0.000 1.386 343 H HN 0.589 nan 8.280 nan 0.000 0.551 344 A N 0.353 122.937 122.820 -0.394 0.000 2.024 344 A HA -0.106 4.204 4.320 -0.017 0.000 0.220 344 A C 2.667 180.181 177.584 -0.116 0.000 1.164 344 A CA 1.589 53.398 52.037 -0.379 0.000 0.643 344 A CB -0.705 18.238 19.000 -0.095 0.000 0.806 344 A HN 0.474 nan 8.150 nan 0.000 0.451 345 A N -1.415 121.393 122.820 -0.020 0.000 1.930 345 A HA 0.545 4.855 4.320 -0.017 0.000 0.215 345 A C 1.212 178.805 177.584 0.015 0.000 1.176 345 A CA 1.713 53.763 52.037 0.021 0.000 0.632 345 A CB -0.381 18.640 19.000 0.035 0.000 0.819 345 A HN 1.606 nan 8.150 nan 0.000 0.445 346 A N -1.654 121.186 122.820 0.034 0.000 0.000 346 A HA 0.633 4.943 4.320 -0.017 0.000 0.000 346 A C -1.264 176.369 177.584 0.081 0.000 0.000 346 A CA -0.594 51.439 52.037 -0.007 0.000 0.000 346 A CB 0.291 19.180 19.000 -0.185 0.000 0.000 346 A HN 0.080 nan 8.150 nan 0.000 0.000 347 E N -0.869 119.341 120.200 0.017 0.000 2.284 347 E HA 0.563 4.902 4.350 -0.017 0.000 0.255 347 E C 1.428 177.949 176.600 -0.132 0.000 1.052 347 E CA 0.398 56.851 56.400 0.090 0.000 0.904 347 E CB 0.775 30.548 29.700 0.120 0.000 1.217 347 E HN 0.762 nan 8.360 nan 0.000 0.438 348 G N 0.585 109.363 108.800 -0.036 0.000 2.421 348 G HA2 -0.160 3.789 3.960 -0.017 0.000 0.216 348 G HA3 -0.160 3.789 3.960 -0.017 0.000 0.216 348 G C -1.097 173.716 174.900 -0.145 0.000 1.171 348 G CA 0.663 45.700 45.100 -0.105 0.000 0.775 348 G HN 0.416 nan 8.290 nan 0.000 0.543 349 P HA -0.116 nan 4.420 nan 0.000 0.215 349 P C -1.288 175.963 177.300 -0.082 0.000 1.163 349 P CA 2.026 65.092 63.100 -0.056 0.000 0.894 349 P CB -0.747 30.942 31.700 -0.018 0.000 0.791 350 P HA -0.136 nan 4.420 nan 0.000 0.215 350 P C 1.489 178.661 177.300 -0.214 0.000 1.153 350 P CA 1.222 64.115 63.100 -0.344 0.000 0.853 350 P CB -0.545 30.706 31.700 -0.748 0.000 0.788 351 I N -0.563 119.808 120.570 -0.332 0.000 2.179 351 I HA -0.157 4.003 4.170 -0.017 0.000 0.242 351 I C 2.288 178.269 176.117 -0.225 0.000 1.088 351 I CA 1.784 62.863 61.300 -0.368 0.000 1.357 351 I CB -1.755 35.877 38.000 -0.614 0.000 1.051 351 I HN -0.052 nan 8.210 nan 0.000 0.409 352 V N -0.395 119.431 119.914 -0.146 0.000 2.809 352 V HA 0.021 4.131 4.120 -0.017 0.000 0.256 352 V C 2.632 178.703 176.094 -0.038 0.000 1.080 352 V CA 1.197 63.454 62.300 -0.071 0.000 1.102 352 V CB -1.399 30.405 31.823 -0.031 0.000 0.705 352 V HN 0.264 nan 8.190 nan 0.000 0.475 353 A N 0.782 123.602 122.820 -0.001 0.000 1.930 353 A HA -0.059 4.251 4.320 -0.017 0.000 0.217 353 A C 2.248 179.768 177.584 -0.107 0.000 1.175 353 A CA 2.017 54.105 52.037 0.085 0.000 0.627 353 A CB -0.525 18.654 19.000 0.299 0.000 0.815 353 A HN 0.615 nan 8.150 nan 0.000 0.443 354 L N -0.438 120.528 121.223 -0.429 0.000 2.056 354 L HA -0.095 4.235 4.340 -0.017 0.000 0.207 354 L C 2.348 178.993 176.870 -0.374 0.000 1.078 354 L CA 1.273 55.520 54.840 -0.988 0.000 0.749 354 L CB -0.217 41.309 42.059 -0.888 0.000 0.901 354 L HN 0.184 nan 8.230 nan 0.000 0.433 355 V N 0.439 120.252 119.914 -0.168 0.000 2.255 355 V HA -0.330 3.780 4.120 -0.017 0.000 0.247 355 V C 2.221 178.327 176.094 0.019 0.000 1.051 355 V CA 2.228 64.513 62.300 -0.026 0.000 1.018 355 V CB -0.687 31.135 31.823 -0.001 0.000 0.641 355 V HN 0.518 nan 8.190 nan 0.000 0.445 356 D N -1.325 119.091 120.400 0.026 0.000 2.123 356 D HA -0.189 4.441 4.640 -0.017 0.000 0.196 356 D C 2.105 178.462 176.300 0.094 0.000 0.992 356 D CA 1.470 55.509 54.000 0.066 0.000 0.833 356 D CB -0.404 40.440 40.800 0.074 0.000 0.954 356 D HN 0.528 nan 8.370 nan 0.000 0.455 357 H N 0.675 119.763 119.070 0.030 0.000 2.321 357 H HA -0.057 4.489 4.556 -0.017 0.000 0.300 357 H C 2.068 177.452 175.328 0.095 0.000 1.087 357 H CA 1.109 57.221 56.048 0.105 0.000 1.319 357 H CB -0.072 29.827 29.762 0.229 0.000 1.379 357 H HN -0.045 nan 8.280 nan 0.000 0.501 358 V N 1.341 121.352 119.914 0.162 0.000 2.295 358 V HA -0.273 3.837 4.120 -0.017 0.000 0.246 358 V C 2.887 179.043 176.094 0.103 0.000 1.049 358 V CA 1.670 64.019 62.300 0.082 0.000 1.024 358 V CB -0.514 31.272 31.823 -0.061 0.000 0.648 358 V HN 0.343 nan 8.190 nan 0.000 0.447 359 M N -0.269 119.395 119.600 0.106 0.000 2.117 359 M HA -0.184 4.286 4.480 -0.017 0.000 0.262 359 M C 2.192 178.564 176.300 0.121 0.000 1.065 359 M CA 1.733 57.120 55.300 0.145 0.000 1.114 359 M CB -1.280 31.401 32.600 0.134 0.000 1.361 359 M HN 0.550 nan 8.290 nan 0.000 0.408 360 E N -0.686 119.557 120.200 0.073 0.000 2.110 360 E HA -0.245 4.095 4.350 -0.017 0.000 0.193 360 E C 2.073 178.687 176.600 0.024 0.000 0.988 360 E CA 1.093 57.510 56.400 0.028 0.000 0.804 360 E CB -0.222 29.467 29.700 -0.018 0.000 0.745 360 E HN 0.482 nan 8.360 nan 0.000 0.458 361 Y N 1.524 121.768 120.300 -0.093 0.000 2.224 361 Y HA -0.203 4.336 4.550 -0.017 0.000 0.289 361 Y C 2.494 178.378 175.900 -0.026 0.000 1.146 361 Y CA 2.242 60.293 58.100 -0.082 0.000 1.182 361 Y CB -0.455 37.959 38.460 -0.077 0.000 0.983 361 Y HN 0.195 nan 8.280 nan 0.000 0.524 362 T N -2.712 111.963 114.554 0.202 0.000 3.051 362 T HA -0.098 4.242 4.350 -0.017 0.000 0.269 362 T C 1.380 176.140 174.700 0.100 0.000 1.127 362 T CA 1.271 63.473 62.100 0.170 0.000 1.107 362 T CB -0.268 68.755 68.868 0.260 0.000 0.898 362 T HN 0.335 nan 8.240 nan 0.000 0.517 363 K N 0.375 120.799 120.400 0.041 0.000 2.367 363 K HA 0.223 4.533 4.320 -0.017 0.000 0.194 363 K C 0.486 177.055 176.600 -0.051 0.000 1.027 363 K CA -0.106 56.188 56.287 0.012 0.000 1.075 363 K CB 0.397 32.908 32.500 0.019 0.000 0.845 363 K HN 0.322 nan 8.250 nan 0.000 0.529 364 K N 2.143 122.466 120.400 -0.127 0.000 2.382 364 K HA 0.089 4.399 4.320 -0.017 0.000 0.275 364 K C -2.484 174.038 176.600 -0.130 0.000 1.009 364 K CA -1.530 54.651 56.287 -0.176 0.000 0.970 364 K CB 0.078 32.370 32.500 -0.347 0.000 0.934 364 K HN -0.183 nan 8.250 nan 0.000 0.479 365 P HA -0.057 nan 4.420 nan 0.000 0.262 365 P C -0.815 176.436 177.300 -0.081 0.000 1.199 365 P CA 0.194 63.250 63.100 -0.074 0.000 0.763 365 P CB 0.380 32.044 31.700 -0.060 0.000 0.790 366 E N 3.717 123.879 120.200 -0.064 0.000 2.217 366 E HA 0.135 4.475 4.350 -0.017 0.000 0.279 366 E C -0.508 176.063 176.600 -0.048 0.000 1.068 366 E CA -0.283 56.082 56.400 -0.058 0.000 0.882 366 E CB 0.163 29.832 29.700 -0.051 0.000 1.039 366 E HN 0.379 nan 8.360 nan 0.000 0.418 367 L N 3.946 125.143 121.223 -0.044 0.000 2.387 367 L HA 0.336 4.666 4.340 -0.017 0.000 0.266 367 L C 0.104 176.959 176.870 -0.025 0.000 1.059 367 L CA -1.317 53.503 54.840 -0.033 0.000 0.801 367 L CB 1.208 43.249 42.059 -0.029 0.000 1.223 367 L HN 0.391 nan 8.230 nan 0.000 0.456 368 V N -0.215 119.686 119.914 -0.021 0.000 2.599 368 V HA 0.257 4.367 4.120 -0.017 0.000 0.300 368 V C 0.039 176.127 176.094 -0.010 0.000 1.034 368 V CA -0.556 61.734 62.300 -0.017 0.000 1.115 368 V CB 0.160 31.974 31.823 -0.016 0.000 0.934 368 V HN 0.652 nan 8.190 nan 0.000 0.485 369 R N 3.440 123.936 120.500 -0.006 0.000 2.668 369 R HA 0.542 4.872 4.340 -0.017 0.000 0.279 369 R C 0.458 176.759 176.300 0.002 0.000 0.976 369 R CA -0.239 55.862 56.100 0.003 0.000 0.978 369 R CB 1.442 31.749 30.300 0.012 0.000 1.133 369 R HN 1.058 nan 8.270 nan 0.000 0.484 370 S N 1.381 117.082 115.700 0.002 0.000 2.572 370 S HA 0.153 4.612 4.470 -0.017 0.000 0.267 370 S C -1.965 172.635 174.600 -0.000 0.000 1.361 370 S CA -0.816 57.382 58.200 -0.003 0.000 1.009 370 S CB -0.487 62.708 63.200 -0.009 0.000 0.888 370 S HN 0.321 nan 8.310 nan 0.000 0.553 371 P HA 0.042 nan 4.420 nan 0.000 0.267 371 P C -0.332 176.971 177.300 0.005 0.000 1.195 371 P CA -0.151 62.949 63.100 0.000 0.000 0.773 371 P CB 0.168 31.866 31.700 -0.003 0.000 0.837 372 M N 4.083 123.691 119.600 0.013 0.000 2.307 372 M HA 0.114 4.584 4.480 -0.017 0.000 0.346 372 M C -0.485 175.826 176.300 0.018 0.000 1.552 372 M CA -0.337 54.977 55.300 0.024 0.000 1.116 372 M CB -0.738 31.880 32.600 0.031 0.000 1.889 372 M HN 0.141 nan 8.290 nan 0.000 0.460 373 V N 5.231 125.156 119.914 0.019 0.000 2.881 373 V HA 0.624 4.734 4.120 -0.017 0.000 0.303 373 V C -2.281 173.833 176.094 0.034 0.000 1.070 373 V CA -1.692 60.612 62.300 0.008 0.000 1.074 373 V CB -0.205 31.599 31.823 -0.033 0.000 1.012 373 V HN 0.785 nan 8.190 nan 0.000 0.482 374 P HA 0.367 nan 4.420 nan 0.000 0.265 374 P C -0.821 176.511 177.300 0.052 0.000 1.193 374 P CA 0.295 63.414 63.100 0.031 0.000 0.765 374 P CB 0.286 31.999 31.700 0.021 0.000 0.823 375 L N 5.105 126.353 121.223 0.043 0.000 2.381 375 L HA 0.563 4.893 4.340 -0.017 0.000 0.268 375 L C -1.897 174.986 176.870 0.022 0.000 0.997 375 L CA -2.107 52.759 54.840 0.044 0.000 0.818 375 L CB 2.113 44.193 42.059 0.035 0.000 1.310 375 L HN 0.298 nan 8.230 nan 0.000 0.416 376 P HA 0.201 nan 4.420 nan 0.000 0.276 376 P C -0.905 176.397 177.300 0.003 0.000 1.261 376 P CA -0.721 62.385 63.100 0.010 0.000 0.800 376 P CB 0.874 32.580 31.700 0.010 0.000 1.066 377 M N 1.670 121.275 119.600 0.007 0.000 2.146 377 M HA 0.345 4.815 4.480 -0.017 0.000 0.352 377 M C -2.413 173.906 176.300 0.031 0.000 1.343 377 M CA -2.360 52.949 55.300 0.015 0.000 1.115 377 M CB -0.383 32.231 32.600 0.023 0.000 1.657 377 M HN 0.080 nan 8.290 nan 0.000 0.471 378 P HA 0.076 nan 4.420 nan 0.000 0.265 378 P C -1.527 175.872 177.300 0.164 0.000 1.193 378 P CA -0.067 63.083 63.100 0.082 0.000 0.765 378 P CB 0.331 32.068 31.700 0.062 0.000 0.823 379 K N 3.383 123.843 120.400 0.100 0.000 2.349 379 K HA 0.101 4.410 4.320 -0.017 0.000 0.288 379 K C -0.027 176.568 176.600 -0.009 0.000 1.058 379 K CA -0.135 56.171 56.287 0.033 0.000 0.953 379 K CB 0.199 32.666 32.500 -0.055 0.000 0.997 379 K HN 0.189 nan 8.250 nan 0.000 0.477 380 K N 5.331 125.648 120.400 -0.138 0.000 2.322 380 K HA 0.136 4.446 4.320 -0.017 0.000 0.283 380 K C -0.723 175.644 176.600 -0.389 0.000 1.042 380 K CA -0.294 55.652 56.287 -0.569 0.000 0.958 380 K CB 0.366 32.532 32.500 -0.557 0.000 0.984 380 K HN 0.634 nan 8.250 nan 0.000 0.473 381 L N 6.688 127.668 121.223 -0.406 0.000 2.315 381 L HA 0.315 4.645 4.340 -0.017 0.000 0.278 381 L C 0.372 176.974 176.870 -0.447 0.000 1.088 381 L CA -0.536 54.081 54.840 -0.371 0.000 0.899 381 L CB 0.455 42.321 42.059 -0.322 0.000 1.277 381 L HN 0.554 nan 8.230 nan 0.000 0.431 382 R N 1.978 122.240 120.500 -0.397 0.000 2.637 382 R HA 0.564 4.894 4.340 -0.017 0.000 0.269 382 R C -1.064 174.939 176.300 -0.494 0.000 1.089 382 R CA -0.264 55.657 56.100 -0.299 0.000 1.177 382 R CB 0.823 31.024 30.300 -0.164 0.000 1.091 382 R HN 0.177 nan 8.270 nan 0.000 0.540 383 F N -0.099 119.847 119.950 -0.006 0.000 2.556 383 F HA 0.279 4.796 4.527 -0.017 0.000 0.314 383 F C -0.002 175.806 175.800 0.014 0.000 1.106 383 F CA -0.989 57.019 58.000 0.013 0.000 0.911 383 F CB 1.758 40.792 39.000 0.057 0.000 1.190 383 F HN 0.267 nan 8.300 nan 0.000 0.448 384 N N 4.102 122.918 118.700 0.193 0.000 2.420 384 N HA 0.291 5.021 4.740 -0.017 0.000 0.249 384 N C -0.819 174.766 175.510 0.125 0.000 1.033 384 N CA -0.216 52.902 53.050 0.114 0.000 0.944 384 N CB 1.133 39.657 38.487 0.063 0.000 1.113 384 N HN 0.312 nan 8.380 nan 0.000 0.502 385 I N 2.239 122.872 120.570 0.105 0.000 2.325 385 I HA 0.144 4.304 4.170 -0.017 0.000 0.291 385 I C 1.341 177.490 176.117 0.053 0.000 1.019 385 I CA -0.383 60.965 61.300 0.080 0.000 1.302 385 I CB 0.290 38.333 38.000 0.071 0.000 1.401 385 I HN 0.342 nan 8.210 nan 0.000 0.485 386 T N 3.761 118.343 114.554 0.046 0.000 2.923 386 T HA 0.462 4.801 4.350 -0.017 0.000 0.281 386 T C -1.968 172.749 174.700 0.027 0.000 0.995 386 T CA -1.810 60.310 62.100 0.033 0.000 0.985 386 T CB 1.709 70.595 68.868 0.030 0.000 1.114 386 T HN 0.238 nan 8.240 nan 0.000 0.548 387 P HA -0.018 nan 4.420 nan 0.000 0.218 387 P C 1.379 178.689 177.300 0.018 0.000 1.149 387 P CA 0.801 63.912 63.100 0.018 0.000 0.817 387 P CB 0.148 31.857 31.700 0.014 0.000 0.785 388 E N -0.293 119.919 120.200 0.020 0.000 2.072 388 E HA -0.135 4.205 4.350 -0.017 0.000 0.191 388 E C 1.869 178.485 176.600 0.027 0.000 0.985 388 E CA 0.882 57.294 56.400 0.021 0.000 0.801 388 E CB -0.406 29.307 29.700 0.022 0.000 0.750 388 E HN 0.148 nan 8.360 nan 0.000 0.452 389 I N 0.778 121.366 120.570 0.031 0.000 2.252 389 I HA -0.220 3.940 4.170 -0.017 0.000 0.245 389 I C 2.494 178.623 176.117 0.021 0.000 1.102 389 I CA 0.899 62.220 61.300 0.035 0.000 1.385 389 I CB -0.201 37.823 38.000 0.040 0.000 1.064 389 I HN 0.044 nan 8.210 nan 0.000 0.414 390 K N 1.801 122.212 120.400 0.018 0.000 2.063 390 K HA -0.248 4.062 4.320 -0.017 0.000 0.208 390 K C 1.754 178.357 176.600 0.005 0.000 1.048 390 K CA 1.973 58.266 56.287 0.010 0.000 0.928 390 K CB -0.478 32.030 32.500 0.014 0.000 0.713 390 K HN 0.190 nan 8.250 nan 0.000 0.442 391 N N 0.525 119.231 118.700 0.009 0.000 2.120 391 N HA -0.145 4.585 4.740 -0.017 0.000 0.188 391 N C 1.141 176.654 175.510 0.005 0.000 1.024 391 N CA 1.853 54.907 53.050 0.006 0.000 0.852 391 N CB -0.234 38.259 38.487 0.009 0.000 1.003 391 N HN 0.242 nan 8.380 nan 0.000 0.424 392 D N 0.082 120.491 120.400 0.016 0.000 2.144 392 D HA -0.105 4.525 4.640 -0.017 0.000 0.199 392 D C 1.980 178.277 176.300 -0.006 0.000 0.984 392 D CA 0.793 54.807 54.000 0.023 0.000 0.834 392 D CB -0.181 40.655 40.800 0.061 0.000 0.955 392 D HN 0.428 nan 8.370 nan 0.000 0.465 393 I N 1.210 121.768 120.570 -0.020 0.000 2.179 393 I HA -0.216 3.944 4.170 -0.017 0.000 0.242 393 I C 2.325 178.412 176.117 -0.050 0.000 1.088 393 I CA 0.970 62.238 61.300 -0.053 0.000 1.357 393 I CB -0.103 37.866 38.000 -0.052 0.000 1.051 393 I HN -0.104 nan 8.210 nan 0.000 0.409 394 E N 0.944 121.126 120.200 -0.030 0.000 2.110 394 E HA -0.189 4.151 4.350 -0.017 0.000 0.193 394 E C 2.117 178.700 176.600 -0.028 0.000 0.988 394 E CA 1.001 57.386 56.400 -0.026 0.000 0.804 394 E CB -0.221 29.470 29.700 -0.014 0.000 0.745 394 E HN 0.363 nan 8.360 nan 0.000 0.458 395 K N 0.524 120.909 120.400 -0.024 0.000 2.097 395 K HA -0.008 4.302 4.320 -0.017 0.000 0.205 395 K C 2.017 178.595 176.600 -0.038 0.000 1.050 395 K CA 1.009 57.282 56.287 -0.024 0.000 0.938 395 K CB -0.354 32.139 32.500 -0.012 0.000 0.718 395 K HN 0.087 nan 8.250 nan 0.000 0.442 396 A N 1.638 124.426 122.820 -0.054 0.000 1.930 396 A HA -0.146 4.163 4.320 -0.017 0.000 0.217 396 A C 2.085 179.618 177.584 -0.085 0.000 1.175 396 A CA 1.357 53.343 52.037 -0.086 0.000 0.627 396 A CB -0.232 18.686 19.000 -0.136 0.000 0.815 396 A HN 0.245 nan 8.150 nan 0.000 0.443 397 K N -0.446 119.912 120.400 -0.071 0.000 2.026 397 K HA -0.185 4.125 4.320 -0.017 0.000 0.208 397 K C 2.334 178.907 176.600 -0.045 0.000 1.048 397 K CA 1.754 58.007 56.287 -0.057 0.000 0.929 397 K CB -0.219 32.254 32.500 -0.044 0.000 0.713 397 K HN 0.609 nan 8.250 nan 0.000 0.439 398 Q N 0.475 120.252 119.800 -0.038 0.000 2.050 398 Q HA -0.198 4.132 4.340 -0.017 0.000 0.202 398 Q C 1.999 177.975 176.000 -0.040 0.000 0.980 398 Q CA 1.731 57.515 55.803 -0.032 0.000 0.840 398 Q CB -0.226 28.496 28.738 -0.027 0.000 0.898 398 Q HN 0.292 nan 8.270 nan 0.000 0.424 399 N N 0.444 119.117 118.700 -0.046 0.000 2.084 399 N HA -0.189 4.541 4.740 -0.017 0.000 0.190 399 N C 1.581 177.054 175.510 -0.062 0.000 1.030 399 N CA 0.798 53.820 53.050 -0.047 0.000 0.849 399 N CB -0.133 38.327 38.487 -0.044 0.000 1.012 399 N HN 0.137 nan 8.380 nan 0.000 0.423 400 L N 0.127 121.300 121.223 -0.084 0.000 2.093 400 L HA 0.028 4.358 4.340 -0.017 0.000 0.208 400 L C 2.339 179.141 176.870 -0.113 0.000 1.085 400 L CA 1.517 56.286 54.840 -0.117 0.000 0.755 400 L CB -1.323 40.661 42.059 -0.124 0.000 0.904 400 L HN 0.234 nan 8.230 nan 0.000 0.435 401 S N -0.551 115.106 115.700 -0.072 0.000 2.359 401 S HA -0.206 4.254 4.470 -0.017 0.000 0.224 401 S C 2.063 176.623 174.600 -0.066 0.000 1.035 401 S CA 1.833 59.998 58.200 -0.057 0.000 1.018 401 S CB -0.410 62.776 63.200 -0.024 0.000 0.876 401 S HN 0.498 nan 8.310 nan 0.000 0.448 402 I N 0.891 121.429 120.570 -0.054 0.000 2.179 402 I HA -0.238 3.922 4.170 -0.017 0.000 0.242 402 I C 2.573 178.660 176.117 -0.051 0.000 1.088 402 I CA 1.540 62.813 61.300 -0.044 0.000 1.357 402 I CB -0.346 37.633 38.000 -0.036 0.000 1.051 402 I HN 0.376 nan 8.210 nan 0.000 0.409 403 M N 0.103 119.665 119.600 -0.064 0.000 2.080 403 M HA -0.225 4.245 4.480 -0.017 0.000 0.260 403 M C 2.326 178.543 176.300 -0.138 0.000 1.068 403 M CA 2.030 57.291 55.300 -0.064 0.000 1.109 403 M CB -0.382 32.153 32.600 -0.109 0.000 1.342 403 M HN 0.170 nan 8.290 nan 0.000 0.405 404 I N -0.274 120.150 120.570 -0.243 0.000 2.252 404 I HA -0.284 3.876 4.170 -0.017 0.000 0.245 404 I C 2.414 178.419 176.117 -0.186 0.000 1.102 404 I CA 1.314 62.392 61.300 -0.370 0.000 1.385 404 I CB -0.454 37.252 38.000 -0.489 0.000 1.064 404 I HN 0.382 nan 8.210 nan 0.000 0.414 405 Q N 0.024 119.759 119.800 -0.108 0.000 2.226 405 Q HA -0.259 4.071 4.340 -0.017 0.000 0.204 405 Q C 1.341 177.330 176.000 -0.018 0.000 0.975 405 Q CA 1.557 57.329 55.803 -0.052 0.000 0.866 405 Q CB -0.160 28.560 28.738 -0.031 0.000 0.915 405 Q HN 0.403 nan 8.270 nan 0.000 0.440 406 D N -0.385 120.016 120.400 0.001 0.000 2.349 406 D HA -0.001 4.629 4.640 -0.017 0.000 0.215 406 D C -0.484 175.907 176.300 0.152 0.000 1.016 406 D CA -0.045 53.998 54.000 0.070 0.000 0.870 406 D CB 0.325 41.165 40.800 0.066 0.000 0.917 406 D HN -0.030 nan 8.370 nan 0.000 0.524 407 L N 0.929 122.196 121.223 0.074 0.000 2.276 407 L HA 0.349 4.679 4.340 -0.017 0.000 0.286 407 L C -0.917 175.951 176.870 -0.003 0.000 1.061 407 L CA -0.254 54.620 54.840 0.058 0.000 0.807 407 L CB 1.457 43.517 42.059 0.001 0.000 1.177 407 L HN -0.204 nan 8.230 nan 0.000 0.429 408 D N 5.545 125.926 120.400 -0.032 0.000 2.440 408 D HA 0.412 5.041 4.640 -0.017 0.000 0.239 408 D C -0.951 175.321 176.300 -0.047 0.000 1.084 408 D CA -0.080 53.901 54.000 -0.032 0.000 0.843 408 D CB 0.559 41.347 40.800 -0.020 0.000 1.097 408 D HN 0.457 nan 8.370 nan 0.000 0.531 409 I N 3.026 123.574 120.570 -0.037 0.000 2.474 409 I HA 0.438 4.598 4.170 -0.017 0.000 0.294 409 I C -0.538 175.569 176.117 -0.016 0.000 1.005 409 I CA -1.074 60.203 61.300 -0.037 0.000 1.113 409 I CB 1.875 39.846 38.000 -0.049 0.000 1.289 409 I HN 0.310 nan 8.210 nan 0.000 0.436 410 M N 7.764 127.359 119.600 -0.008 0.000 2.165 410 M HA 0.479 4.948 4.480 -0.017 0.000 0.283 410 M C -1.551 174.768 176.300 0.031 0.000 0.978 410 M CA -0.454 54.852 55.300 0.009 0.000 0.948 410 M CB 1.509 34.100 32.600 -0.015 0.000 1.599 410 M HN 0.308 nan 8.290 nan 0.000 0.450 411 M N 5.349 124.980 119.600 0.052 0.000 2.209 411 M HA 0.524 4.994 4.480 -0.017 0.000 0.355 411 M C -1.292 175.084 176.300 0.128 0.000 1.171 411 M CA -0.689 54.661 55.300 0.085 0.000 1.069 411 M CB 0.907 33.544 32.600 0.062 0.000 1.622 411 M HN 0.779 nan 8.290 nan 0.000 0.459 412 L N 3.366 124.706 121.223 0.195 0.000 2.376 412 L HA 0.523 4.853 4.340 -0.017 0.000 0.275 412 L C -0.625 176.441 176.870 0.328 0.000 0.987 412 L CA 0.191 55.178 54.840 0.246 0.000 0.828 412 L CB 1.858 44.058 42.059 0.236 0.000 1.249 412 L HN 0.682 nan 8.230 nan 0.000 0.409 413 T N 5.972 120.683 114.554 0.261 0.000 2.811 413 T HA 0.269 4.609 4.350 -0.017 0.000 0.309 413 T C -0.421 174.463 174.700 0.306 0.000 1.005 413 T CA 0.196 62.452 62.100 0.260 0.000 0.955 413 T CB -0.443 68.510 68.868 0.142 0.000 0.970 413 T HN 0.382 nan 8.240 nan 0.000 0.496 414 F N 6.492 126.585 119.950 0.238 0.000 2.509 414 F HA 0.159 4.676 4.527 -0.015 0.000 0.350 414 F C 1.785 177.588 175.800 0.005 0.000 1.220 414 F CA -0.781 57.300 58.000 0.134 0.000 1.151 414 F CB 0.134 39.281 39.000 0.246 0.000 1.379 414 F HN 0.671 nan 8.300 nan 0.000 0.610 415 H N 3.670 122.480 119.070 -0.433 0.000 2.535 415 H HA -0.045 4.503 4.556 -0.014 0.000 0.273 415 H C 1.267 176.339 175.328 -0.427 0.000 0.983 415 H CA 0.967 56.803 56.048 -0.354 0.000 1.238 415 H CB -0.487 29.059 29.762 -0.360 0.000 1.412 415 H HN 0.635 nan 8.280 nan 0.000 0.562 416 H N 1.520 119.885 119.070 -1.175 0.000 2.319 416 H HA -0.065 4.481 4.556 -0.016 0.000 0.297 416 H C 0.501 175.780 175.328 -0.082 0.000 1.097 416 H CA 1.831 57.436 56.048 -0.738 0.000 1.285 416 H CB -0.193 28.974 29.762 -0.991 0.000 1.368 416 H HN 0.487 nan 8.280 nan 0.000 0.495 417 F N -3.074 116.927 119.950 0.084 0.000 2.858 417 F HA 0.598 5.115 4.527 -0.017 0.000 0.319 417 F C 0.082 176.085 175.800 0.339 0.000 1.166 417 F CA -0.589 57.544 58.000 0.222 0.000 0.899 417 F CB 0.891 40.014 39.000 0.204 0.000 1.332 417 F HN 0.023 nan 8.300 nan 0.000 0.461 418 G N 0.423 109.522 108.800 0.499 0.000 3.340 418 G HA2 0.316 4.266 3.960 -0.017 0.000 0.176 418 G HA3 0.316 4.266 3.960 -0.017 0.000 0.176 418 G C -0.205 174.869 174.900 0.290 0.000 1.103 418 G CA -0.690 44.582 45.100 0.285 0.000 0.779 418 G HN 0.637 nan 8.290 nan 0.000 0.673 419 K N 0.665 121.147 120.400 0.137 0.000 2.283 419 K HA -0.045 4.265 4.320 -0.017 0.000 0.202 419 K C 2.113 178.747 176.600 0.056 0.000 1.048 419 K CA 1.473 57.808 56.287 0.080 0.000 0.948 419 K CB -0.031 32.495 32.500 0.045 0.000 0.742 419 K HN 0.516 nan 8.250 nan 0.000 0.458 420 D N 1.188 121.649 120.400 0.102 0.000 2.106 420 D HA -0.260 4.369 4.640 -0.017 0.000 0.191 420 D C 1.766 178.072 176.300 0.011 0.000 0.997 420 D CA 1.294 55.335 54.000 0.069 0.000 0.834 420 D CB -0.747 40.122 40.800 0.114 0.000 0.956 420 D HN 0.170 nan 8.370 nan 0.000 0.448 421 F N 2.051 121.933 119.950 -0.114 0.000 2.075 421 F HA 0.027 4.545 4.527 -0.016 0.000 0.297 421 F C -0.880 174.709 175.800 -0.351 0.000 1.113 421 F CA 0.665 58.472 58.000 -0.322 0.000 1.218 421 F CB -1.341 37.206 39.000 -0.756 0.000 0.984 421 F HN -0.013 nan 8.300 nan 0.000 0.472 422 P HA -0.199 nan 4.420 nan 0.000 0.216 422 P C 1.326 178.381 177.300 -0.409 0.000 1.153 422 P CA 2.376 65.073 63.100 -0.671 0.000 0.858 422 P CB -0.109 31.322 31.700 -0.448 0.000 0.789 423 K N -0.186 120.061 120.400 -0.254 0.000 2.063 423 K HA -0.125 4.185 4.320 -0.017 0.000 0.208 423 K C 2.285 178.772 176.600 -0.189 0.000 1.048 423 K CA 1.997 58.189 56.287 -0.158 0.000 0.928 423 K CB -0.640 31.810 32.500 -0.084 0.000 0.713 423 K HN 0.220 nan 8.250 nan 0.000 0.442 424 S N 0.908 116.456 115.700 -0.253 0.000 2.442 424 S HA -0.091 4.369 4.470 -0.017 0.000 0.236 424 S C 1.438 175.878 174.600 -0.267 0.000 1.007 424 S CA 0.911 58.979 58.200 -0.220 0.000 0.965 424 S CB -0.012 63.076 63.200 -0.188 0.000 0.773 424 S HN 0.169 nan 8.310 nan 0.000 0.504 425 E N 1.038 120.994 120.200 -0.407 0.000 2.474 425 E HA 0.192 4.532 4.350 -0.017 0.000 0.195 425 E C -0.194 176.299 176.600 -0.179 0.000 1.039 425 E CA -0.041 56.165 56.400 -0.323 0.000 0.881 425 E CB -0.061 29.356 29.700 -0.472 0.000 0.970 425 E HN 0.593 nan 8.360 nan 0.000 0.486 426 K N 0.413 120.721 120.400 -0.153 0.000 3.125 426 K HA -0.174 4.136 4.320 -0.017 0.000 0.268 426 K C -0.559 176.004 176.600 -0.062 0.000 1.078 426 K CA 0.345 56.580 56.287 -0.086 0.000 0.775 426 K CB -1.500 30.966 32.500 -0.057 0.000 1.253 426 K HN 0.119 nan 8.250 nan 0.000 0.486 427 L N 0.039 121.215 121.223 -0.079 0.000 2.381 427 L HA 0.321 4.651 4.340 -0.017 0.000 0.268 427 L C 0.570 177.444 176.870 0.007 0.000 0.997 427 L CA -0.938 53.893 54.840 -0.015 0.000 0.818 427 L CB 1.958 44.034 42.059 0.030 0.000 1.310 427 L HN 0.085 nan 8.230 nan 0.000 0.416 428 S N 2.677 118.409 115.700 0.054 0.000 2.525 428 S HA 0.141 4.601 4.470 -0.017 0.000 0.285 428 S C -1.679 172.986 174.600 0.108 0.000 1.283 428 S CA -0.812 57.433 58.200 0.075 0.000 1.072 428 S CB 0.861 64.123 63.200 0.104 0.000 0.867 428 S HN 0.383 nan 8.310 nan 0.000 0.492 429 P HA -0.077 nan 4.420 nan 0.000 0.215 429 P C 0.968 178.373 177.300 0.176 0.000 1.153 429 P CA 1.071 64.234 63.100 0.105 0.000 0.853 429 P CB 0.082 31.824 31.700 0.070 0.000 0.788 430 D N -0.760 119.740 120.400 0.167 0.000 2.117 430 D HA -0.141 4.489 4.640 -0.017 0.000 0.197 430 D C 1.907 178.261 176.300 0.090 0.000 0.987 430 D CA 1.417 55.537 54.000 0.200 0.000 0.829 430 D CB -0.606 40.328 40.800 0.223 0.000 0.961 430 D HN -0.045 nan 8.370 nan 0.000 0.460 431 A N -0.480 122.384 122.820 0.073 0.000 1.902 431 A HA -0.110 4.199 4.320 -0.017 0.000 0.217 431 A C 2.161 179.690 177.584 -0.092 0.000 1.181 431 A CA 1.156 53.126 52.037 -0.111 0.000 0.623 431 A CB -1.177 17.880 19.000 0.095 0.000 0.818 431 A HN 0.417 nan 8.150 nan 0.000 0.443 432 F N 0.706 120.611 119.950 -0.075 0.000 2.095 432 F HA -0.186 4.331 4.527 -0.017 0.000 0.298 432 F C 1.991 177.760 175.800 -0.050 0.000 1.104 432 F CA 1.914 59.889 58.000 -0.042 0.000 1.232 432 F CB -0.235 38.785 39.000 0.033 0.000 0.987 432 F HN 0.187 nan 8.300 nan 0.000 0.475 433 I N -0.100 120.603 120.570 0.221 0.000 2.226 433 I HA -0.303 3.857 4.170 -0.017 0.000 0.245 433 I C 2.427 178.472 176.117 -0.119 0.000 1.100 433 I CA 1.068 62.386 61.300 0.031 0.000 1.374 433 I CB -0.611 37.312 38.000 -0.128 0.000 1.057 433 I HN 0.219 nan 8.210 nan 0.000 0.413 434 Q N 0.248 119.953 119.800 -0.160 0.000 2.084 434 Q HA -0.131 4.198 4.340 -0.017 0.000 0.202 434 Q C 2.526 178.431 176.000 -0.159 0.000 0.978 434 Q CA 1.354 57.044 55.803 -0.188 0.000 0.844 434 Q CB -0.427 28.045 28.738 -0.443 0.000 0.898 434 Q HN 0.403 nan 8.270 nan 0.000 0.426 435 V N 1.170 120.960 119.914 -0.207 0.000 2.407 435 V HA -0.232 3.878 4.120 -0.017 0.000 0.248 435 V C 2.369 178.434 176.094 -0.048 0.000 1.055 435 V CA 1.645 63.871 62.300 -0.123 0.000 1.049 435 V CB -0.969 30.713 31.823 -0.235 0.000 0.662 435 V HN 0.311 nan 8.190 nan 0.000 0.455 436 A N -0.172 122.564 122.820 -0.139 0.000 1.933 436 A HA -0.185 4.125 4.320 -0.017 0.000 0.218 436 A C 2.139 179.710 177.584 -0.023 0.000 1.175 436 A CA 1.965 53.953 52.037 -0.082 0.000 0.628 436 A CB -0.510 18.410 19.000 -0.134 0.000 0.814 436 A HN 0.461 nan 8.150 nan 0.000 0.444 437 L N -0.629 120.566 121.223 -0.046 0.000 2.093 437 L HA -0.141 4.189 4.340 -0.017 0.000 0.208 437 L C 2.277 179.198 176.870 0.086 0.000 1.085 437 L CA 1.968 56.800 54.840 -0.012 0.000 0.755 437 L CB -0.624 41.420 42.059 -0.024 0.000 0.904 437 L HN 0.336 nan 8.230 nan 0.000 0.435 438 Q N -0.668 119.187 119.800 0.092 0.000 2.119 438 Q HA -0.165 4.165 4.340 -0.017 0.000 0.201 438 Q C 2.240 178.369 176.000 0.214 0.000 0.972 438 Q CA 1.609 57.505 55.803 0.156 0.000 0.847 438 Q CB -0.601 28.214 28.738 0.128 0.000 0.903 438 Q HN 0.491 nan 8.270 nan 0.000 0.433 439 L N 0.616 121.940 121.223 0.169 0.000 2.056 439 L HA -0.034 4.296 4.340 -0.017 0.000 0.207 439 L C 2.105 179.086 176.870 0.186 0.000 1.078 439 L CA 2.036 56.966 54.840 0.149 0.000 0.749 439 L CB -0.913 41.219 42.059 0.122 0.000 0.901 439 L HN 0.098 nan 8.230 nan 0.000 0.433 440 A N -1.325 121.591 122.820 0.160 0.000 1.877 440 A HA -0.292 4.018 4.320 -0.017 0.000 0.216 440 A C 2.330 179.990 177.584 0.125 0.000 1.186 440 A CA 1.882 54.020 52.037 0.169 0.000 0.620 440 A CB -1.268 17.796 19.000 0.106 0.000 0.822 440 A HN 0.617 nan 8.150 nan 0.000 0.443 441 Y N -1.548 118.799 120.300 0.079 0.000 2.145 441 Y HA -0.277 4.262 4.550 -0.017 0.000 0.286 441 Y C 2.287 178.297 175.900 0.183 0.000 1.145 441 Y CA 2.257 60.446 58.100 0.147 0.000 1.148 441 Y CB -0.520 38.044 38.460 0.173 0.000 0.981 441 Y HN 0.430 nan 8.280 nan 0.000 0.507 442 Y N 0.919 121.362 120.300 0.238 0.000 2.181 442 Y HA -0.233 4.307 4.550 -0.017 0.000 0.288 442 Y C 2.454 178.353 175.900 -0.002 0.000 1.146 442 Y CA 1.899 60.082 58.100 0.139 0.000 1.164 442 Y CB -0.349 38.176 38.460 0.108 0.000 0.982 442 Y HN 0.021 nan 8.280 nan 0.000 0.515 443 R N -0.329 120.202 120.500 0.051 0.000 2.120 443 R HA -0.141 4.189 4.340 -0.017 0.000 0.234 443 R C 2.120 178.257 176.300 -0.273 0.000 1.123 443 R CA 1.829 57.919 56.100 -0.018 0.000 0.975 443 R CB -0.298 30.131 30.300 0.215 0.000 0.866 443 R HN 0.423 nan 8.270 nan 0.000 0.446 444 I N -1.396 118.844 120.570 -0.550 0.000 2.339 444 I HA -0.175 3.985 4.170 -0.017 0.000 0.245 444 I C 1.227 176.804 176.117 -0.900 0.000 1.096 444 I CA 1.148 61.887 61.300 -0.936 0.000 1.408 444 I CB 0.023 37.232 38.000 -1.319 0.000 1.092 444 I HN 0.110 nan 8.210 nan 0.000 0.423 445 Y N 0.336 120.325 120.300 -0.518 0.000 2.458 445 Y HA 0.297 4.837 4.550 -0.017 0.000 0.254 445 Y C 1.841 177.535 175.900 -0.344 0.000 1.120 445 Y CA 0.416 58.264 58.100 -0.419 0.000 1.282 445 Y CB 0.384 38.527 38.460 -0.529 0.000 1.109 445 Y HN 0.264 nan 8.280 nan 0.000 0.526 446 G N 0.833 109.377 108.800 -0.426 0.000 2.162 446 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.260 446 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.260 446 G C -0.020 174.598 174.900 -0.470 0.000 0.976 446 G CA 0.527 45.266 45.100 -0.601 0.000 0.655 446 G HN 0.485 nan 8.290 nan 0.000 0.533 447 Q N -1.830 117.879 119.800 -0.152 0.000 2.687 447 Q HA 0.775 5.105 4.340 -0.017 0.000 0.295 447 Q C -0.382 175.927 176.000 0.515 0.000 0.920 447 Q CA -0.540 55.435 55.803 0.287 0.000 0.766 447 Q CB 0.761 29.618 28.738 0.198 0.000 1.467 447 Q HN 1.375 nan 8.270 nan 0.000 0.415 448 A N 0.280 123.361 122.820 0.436 0.000 2.252 448 A HA 0.858 5.168 4.320 -0.017 0.000 0.305 448 A C 0.052 177.735 177.584 0.165 0.000 1.097 448 A CA 0.078 52.308 52.037 0.322 0.000 0.849 448 A CB 0.691 19.812 19.000 0.202 0.000 1.142 448 A HN 1.160 nan 8.150 nan 0.000 0.499 449 C N -1.747 117.505 119.300 -0.080 0.000 3.090 449 C HA 0.858 5.308 4.460 -0.017 0.000 0.305 449 C C 0.425 175.387 174.990 -0.048 0.000 1.292 449 C CA -0.504 58.439 59.018 -0.126 0.000 1.482 449 C CB 0.646 28.134 27.740 -0.419 0.000 1.897 449 C HN 1.787 nan 8.230 nan 0.000 0.469 450 A N 1.984 124.822 122.820 0.029 0.000 2.566 450 A HA 0.506 4.816 4.320 -0.017 0.000 0.245 450 A C 0.407 178.159 177.584 0.279 0.000 1.056 450 A CA 0.800 52.912 52.037 0.125 0.000 0.757 450 A CB -0.479 18.492 19.000 -0.047 0.000 0.979 450 A HN 1.060 nan 8.150 nan 0.000 0.508 451 T N 2.440 117.210 114.554 0.360 0.000 2.848 451 T HA 0.475 4.815 4.350 -0.017 0.000 0.285 451 T C -1.091 173.731 174.700 0.204 0.000 0.995 451 T CA -0.067 62.203 62.100 0.283 0.000 0.970 451 T CB 0.909 69.844 68.868 0.110 0.000 0.976 451 T HN 0.522 nan 8.240 nan 0.000 0.441 452 Y N 2.220 122.399 120.300 -0.201 0.000 2.352 452 Y HA 0.588 5.128 4.550 -0.017 0.000 0.339 452 Y C -0.116 175.630 175.900 -0.257 0.000 0.992 452 Y CA -0.671 57.072 58.100 -0.594 0.000 1.100 452 Y CB 1.065 38.719 38.460 -1.344 0.000 1.192 452 Y HN 0.641 nan 8.280 nan 0.000 0.458 453 E N 4.037 124.018 120.200 -0.366 0.000 2.246 453 E HA 0.341 4.681 4.350 -0.017 0.000 0.266 453 E C -1.304 175.088 176.600 -0.347 0.000 0.880 453 E CA -0.753 55.572 56.400 -0.126 0.000 0.762 453 E CB 1.442 31.131 29.700 -0.017 0.000 1.180 453 E HN 0.701 nan 8.360 nan 0.000 0.416 454 S N 1.929 117.588 115.700 -0.068 0.000 2.537 454 S HA 0.378 4.837 4.470 -0.017 0.000 0.286 454 S C -0.347 174.186 174.600 -0.112 0.000 1.299 454 S CA -0.145 58.015 58.200 -0.067 0.000 1.067 454 S CB 1.012 64.272 63.200 0.100 0.000 0.864 454 S HN 0.535 nan 8.310 nan 0.000 0.494 455 A N 2.798 125.525 122.820 -0.155 0.000 2.343 455 A HA 0.655 4.965 4.320 -0.017 0.000 0.316 455 A C 0.086 177.631 177.584 -0.065 0.000 1.104 455 A CA -0.671 51.303 52.037 -0.105 0.000 0.768 455 A CB 1.250 20.168 19.000 -0.137 0.000 1.213 455 A HN 0.644 nan 8.150 nan 0.000 0.456 456 S N 1.695 117.382 115.700 -0.021 0.000 2.548 456 S HA 0.398 4.858 4.470 -0.017 0.000 0.277 456 S C 0.362 174.974 174.600 0.020 0.000 1.315 456 S CA -0.349 57.851 58.200 -0.000 0.000 1.050 456 S CB 0.003 63.212 63.200 0.016 0.000 0.918 456 S HN 0.608 nan 8.310 nan 0.000 0.497 457 L N 5.232 126.473 121.223 0.029 0.000 2.872 457 L HA 0.324 4.654 4.340 -0.017 0.000 0.245 457 L C 1.847 178.805 176.870 0.145 0.000 1.211 457 L CA -0.085 54.829 54.840 0.123 0.000 1.013 457 L CB -0.040 42.056 42.059 0.062 0.000 1.326 457 L HN 0.672 nan 8.230 nan 0.000 0.525 458 R N 0.633 121.171 120.500 0.064 0.000 2.357 458 R HA -0.105 4.225 4.340 -0.017 0.000 0.202 458 R C 2.104 178.401 176.300 -0.005 0.000 1.047 458 R CA 0.886 57.016 56.100 0.050 0.000 1.034 458 R CB -0.170 30.159 30.300 0.049 0.000 0.875 458 R HN 0.510 nan 8.270 nan 0.000 0.473 459 M N -1.594 117.932 119.600 -0.125 0.000 2.619 459 M HA 0.113 4.583 4.480 -0.017 0.000 0.251 459 M C -0.418 175.586 176.300 -0.494 0.000 1.106 459 M CA 1.152 56.260 55.300 -0.320 0.000 1.086 459 M CB 0.260 32.584 32.600 -0.459 0.000 1.465 459 M HN -0.231 nan 8.290 nan 0.000 0.506 460 F N 0.396 120.361 119.950 0.025 0.000 2.458 460 F HA 0.365 4.882 4.527 -0.017 0.000 0.330 460 F C 0.713 176.541 175.800 0.047 0.000 1.082 460 F CA -1.197 56.821 58.000 0.029 0.000 0.995 460 F CB 0.559 39.562 39.000 0.006 0.000 1.170 460 F HN 0.013 nan 8.300 nan 0.000 0.478 461 H N 4.310 123.464 119.070 0.141 0.000 3.157 461 H HA 0.039 4.585 4.556 -0.017 0.000 0.299 461 H C 0.727 176.090 175.328 0.058 0.000 0.961 461 H CA 0.530 56.610 56.048 0.053 0.000 1.428 461 H CB 0.324 30.098 29.762 0.020 0.000 1.459 461 H HN 0.861 nan 8.280 nan 0.000 0.566 462 L N 2.963 124.040 121.223 -0.244 0.000 4.496 462 L HA -0.227 4.103 4.340 -0.017 0.000 0.419 462 L C 1.012 177.829 176.870 -0.089 0.000 1.139 462 L CA 0.608 55.307 54.840 -0.235 0.000 0.975 462 L CB -1.806 40.000 42.059 -0.421 0.000 2.099 462 L HN 0.792 nan 8.230 nan 0.000 0.818 463 G N -0.133 108.664 108.800 -0.005 0.000 2.432 463 G HA2 0.345 4.295 3.960 -0.017 0.000 0.239 463 G HA3 0.345 4.295 3.960 -0.017 0.000 0.239 463 G C 0.765 175.663 174.900 -0.002 0.000 1.291 463 G CA -0.233 44.872 45.100 0.010 0.000 0.863 463 G HN 0.109 nan 8.290 nan 0.000 0.560 464 R N 0.306 120.774 120.500 -0.054 0.000 1.792 464 R HA 0.384 4.713 4.340 -0.017 0.000 0.139 464 R C 0.997 177.253 176.300 -0.073 0.000 2.091 464 R CA 1.006 57.096 56.100 -0.016 0.000 1.697 464 R CB -0.576 29.755 30.300 0.051 0.000 1.340 464 R HN 0.705 nan 8.270 nan 0.000 0.481 465 T N -1.401 113.010 114.554 -0.239 0.000 2.841 465 T HA 0.564 4.904 4.350 -0.017 0.000 0.296 465 T C -0.984 173.461 174.700 -0.425 0.000 1.166 465 T CA -0.818 61.135 62.100 -0.245 0.000 1.007 465 T CB 2.880 71.673 68.868 -0.124 0.000 1.253 465 T HN 0.077 nan 8.240 nan 0.000 0.511 466 D N -0.839 119.370 120.400 -0.318 0.000 2.636 466 D HA 0.557 5.187 4.640 -0.017 0.000 0.275 466 D C -1.064 174.994 176.300 -0.402 0.000 1.130 466 D CA -0.269 53.524 54.000 -0.345 0.000 1.031 466 D CB 2.557 43.228 40.800 -0.214 0.000 1.451 466 D HN 0.675 nan 8.370 nan 0.000 0.505 467 T N 0.987 115.273 114.554 -0.446 0.000 2.771 467 T HA 0.544 4.884 4.350 -0.017 0.000 0.281 467 T C 0.192 174.562 174.700 -0.550 0.000 0.982 467 T CA -0.396 61.287 62.100 -0.697 0.000 0.978 467 T CB 0.624 69.085 68.868 -0.679 0.000 0.930 467 T HN 0.161 nan 8.240 nan 0.000 0.447 468 I N 3.327 123.501 120.570 -0.660 0.000 2.321 468 I HA 0.346 4.506 4.170 -0.017 0.000 0.291 468 I C 0.572 176.192 176.117 -0.828 0.000 0.998 468 I CA -0.630 60.178 61.300 -0.819 0.000 1.227 468 I CB 1.050 38.691 38.000 -0.599 0.000 1.368 468 I HN 0.320 nan 8.210 nan 0.000 0.466 469 R N 4.328 124.166 120.500 -1.104 0.000 2.204 469 R HA 0.259 4.589 4.340 -0.017 0.000 0.341 469 R C 0.763 176.879 176.300 -0.307 0.000 1.035 469 R CA -0.220 55.624 56.100 -0.426 0.000 0.887 469 R CB 1.076 31.362 30.300 -0.024 0.000 1.114 469 R HN 0.626 nan 8.270 nan 0.000 0.473 470 S N 1.639 117.294 115.700 -0.075 0.000 2.453 470 S HA -0.048 4.412 4.470 -0.017 0.000 0.231 470 S C 0.909 175.588 174.600 0.132 0.000 1.005 470 S CA 0.490 58.761 58.200 0.118 0.000 0.949 470 S CB 0.305 63.597 63.200 0.154 0.000 0.774 470 S HN 0.680 nan 8.310 nan 0.000 0.510 471 A N 2.414 125.303 122.820 0.116 0.000 2.310 471 A HA 0.598 4.908 4.320 -0.017 0.000 0.300 471 A C 0.485 178.164 177.584 0.159 0.000 1.269 471 A CA -0.533 51.580 52.037 0.126 0.000 0.909 471 A CB 0.160 19.227 19.000 0.113 0.000 1.144 471 A HN 0.354 nan 8.150 nan 0.000 0.540 472 S N 1.926 117.717 115.700 0.153 0.000 2.732 472 S HA 0.614 5.074 4.470 -0.017 0.000 0.293 472 S C 0.813 175.483 174.600 0.116 0.000 1.159 472 S CA -0.642 57.658 58.200 0.167 0.000 0.847 472 S CB 0.502 63.821 63.200 0.198 0.000 1.169 472 S HN 0.409 nan 8.310 nan 0.000 0.501 473 I N 0.998 121.629 120.570 0.103 0.000 2.226 473 I HA -0.171 3.988 4.170 -0.017 0.000 0.245 473 I C 1.741 177.891 176.117 0.055 0.000 1.100 473 I CA 1.523 62.856 61.300 0.054 0.000 1.374 473 I CB -0.362 37.661 38.000 0.037 0.000 1.057 473 I HN 0.663 nan 8.210 nan 0.000 0.413 474 D N 0.318 120.766 120.400 0.079 0.000 2.149 474 D HA -0.128 4.502 4.640 -0.017 0.000 0.201 474 D C 2.375 178.738 176.300 0.104 0.000 0.972 474 D CA 1.755 55.803 54.000 0.080 0.000 0.835 474 D CB -0.099 40.749 40.800 0.080 0.000 0.966 474 D HN 0.371 nan 8.370 nan 0.000 0.476 475 S N 0.847 116.615 115.700 0.115 0.000 2.368 475 S HA -0.140 4.319 4.470 -0.017 0.000 0.224 475 S C 2.087 176.748 174.600 0.100 0.000 1.029 475 S CA 0.475 58.760 58.200 0.142 0.000 0.988 475 S CB -0.546 62.734 63.200 0.133 0.000 0.838 475 S HN 0.138 nan 8.310 nan 0.000 0.462 476 L N 2.284 123.530 121.223 0.038 0.000 2.046 476 L HA 0.175 4.505 4.340 -0.017 0.000 0.208 476 L C 2.749 179.552 176.870 -0.111 0.000 1.077 476 L CA 1.725 56.528 54.840 -0.063 0.000 0.747 476 L CB -1.335 40.706 42.059 -0.029 0.000 0.896 476 L HN 0.386 nan 8.230 nan 0.000 0.432 477 A N -1.000 121.805 122.820 -0.025 0.000 1.940 477 A HA -0.276 4.034 4.320 -0.017 0.000 0.219 477 A C 2.247 179.826 177.584 -0.008 0.000 1.176 477 A CA 1.933 53.957 52.037 -0.022 0.000 0.631 477 A CB -1.128 17.885 19.000 0.020 0.000 0.814 477 A HN 0.566 nan 8.150 nan 0.000 0.446 478 F N 1.254 121.152 119.950 -0.086 0.000 2.113 478 F HA -0.133 4.384 4.527 -0.017 0.000 0.297 478 F C 2.297 178.029 175.800 -0.113 0.000 1.103 478 F CA 1.953 59.905 58.000 -0.080 0.000 1.248 478 F CB -0.564 38.399 39.000 -0.061 0.000 0.999 478 F HN 0.121 nan 8.300 nan 0.000 0.475 479 V N -1.100 118.513 119.914 -0.502 0.000 2.407 479 V HA -0.211 3.899 4.120 -0.017 0.000 0.248 479 V C 2.248 177.968 176.094 -0.624 0.000 1.055 479 V CA 2.057 63.965 62.300 -0.654 0.000 1.049 479 V CB -1.108 30.439 31.823 -0.460 0.000 0.662 479 V HN 0.330 nan 8.190 nan 0.000 0.455 480 K N 1.184 121.233 120.400 -0.585 0.000 2.031 480 K HA 0.059 4.369 4.320 -0.017 0.000 0.205 480 K C 2.339 178.816 176.600 -0.205 0.000 1.049 480 K CA 1.409 57.471 56.287 -0.374 0.000 0.939 480 K CB -0.761 31.580 32.500 -0.264 0.000 0.717 480 K HN 0.594 nan 8.250 nan 0.000 0.438 481 G N 1.184 109.859 108.800 -0.208 0.000 2.422 481 G HA2 -0.265 3.685 3.960 -0.017 0.000 0.218 481 G HA3 -0.265 3.685 3.960 -0.017 0.000 0.218 481 G C 1.440 176.245 174.900 -0.160 0.000 1.140 481 G CA 0.643 45.665 45.100 -0.130 0.000 0.775 481 G HN 0.148 nan 8.290 nan 0.000 0.545 482 M N 1.485 120.885 119.600 -0.334 0.000 2.149 482 M HA 0.084 4.554 4.480 -0.017 0.000 0.261 482 M C 2.010 178.227 176.300 -0.139 0.000 1.064 482 M CA 1.627 56.741 55.300 -0.312 0.000 1.102 482 M CB -0.278 31.952 32.600 -0.617 0.000 1.369 482 M HN 0.080 nan 8.290 nan 0.000 0.408 483 G N -0.638 108.100 108.800 -0.103 0.000 3.707 483 G HA2 0.164 4.114 3.960 -0.017 0.000 0.286 483 G HA3 0.164 4.114 3.960 -0.017 0.000 0.286 483 G C -1.000 173.895 174.900 -0.008 0.000 1.112 483 G CA -0.244 44.841 45.100 -0.025 0.000 0.861 483 G HN 0.403 nan 8.290 nan 0.000 0.534 484 D N -0.709 119.676 120.400 -0.024 0.000 2.492 484 D HA 0.399 5.028 4.640 -0.017 0.000 0.248 484 D C 1.256 177.551 176.300 -0.008 0.000 1.101 484 D CA -0.477 53.517 54.000 -0.011 0.000 0.840 484 D CB 1.785 42.575 40.800 -0.017 0.000 1.209 484 D HN -0.128 nan 8.370 nan 0.000 0.524 485 S N 1.258 116.958 115.700 -0.000 0.000 2.442 485 S HA -0.133 4.327 4.470 -0.017 0.000 0.236 485 S C 1.840 176.440 174.600 0.001 0.000 1.007 485 S CA 1.507 59.709 58.200 0.002 0.000 0.965 485 S CB -0.217 62.986 63.200 0.005 0.000 0.773 485 S HN 0.783 nan 8.310 nan 0.000 0.504 486 T N -0.591 113.962 114.554 -0.001 0.000 3.113 486 T HA 0.087 4.427 4.350 -0.017 0.000 0.263 486 T C 0.441 175.138 174.700 -0.004 0.000 1.143 486 T CA 0.177 62.276 62.100 -0.001 0.000 1.090 486 T CB -0.305 68.562 68.868 -0.002 0.000 0.922 486 T HN 0.062 nan 8.240 nan 0.000 0.521 487 V N 3.461 123.371 119.914 -0.006 0.000 2.311 487 V HA 0.375 4.484 4.120 -0.017 0.000 0.275 487 V C -2.339 173.749 176.094 -0.010 0.000 1.022 487 V CA -2.313 59.982 62.300 -0.008 0.000 0.830 487 V CB 1.117 32.934 31.823 -0.010 0.000 1.012 487 V HN 0.193 nan 8.190 nan 0.000 0.452 488 P HA 0.083 nan 4.420 nan 0.000 0.269 488 P C 1.033 178.298 177.300 -0.058 0.000 1.217 488 P CA -0.092 62.992 63.100 -0.028 0.000 0.783 488 P CB 0.745 32.426 31.700 -0.032 0.000 0.898 489 E N 1.396 121.544 120.200 -0.086 0.000 2.070 489 E HA -0.265 4.074 4.350 -0.017 0.000 0.197 489 E C 1.705 178.104 176.600 -0.335 0.000 1.004 489 E CA 1.749 58.046 56.400 -0.171 0.000 0.805 489 E CB -0.372 29.234 29.700 -0.156 0.000 0.744 489 E HN 0.583 nan 8.360 nan 0.000 0.451 490 Q N 0.137 119.689 119.800 -0.414 0.000 2.181 490 Q HA -0.229 4.101 4.340 -0.017 0.000 0.205 490 Q C 2.202 178.130 176.000 -0.120 0.000 0.980 490 Q CA 1.479 57.106 55.803 -0.293 0.000 0.862 490 Q CB -0.098 28.533 28.738 -0.178 0.000 0.905 490 Q HN 0.112 nan 8.270 nan 0.000 0.429 491 Q N 0.871 120.624 119.800 -0.078 0.000 2.123 491 Q HA -0.089 4.241 4.340 -0.017 0.000 0.199 491 Q C 1.441 177.453 176.000 0.019 0.000 0.966 491 Q CA 1.428 57.218 55.803 -0.022 0.000 0.845 491 Q CB 0.212 28.942 28.738 -0.014 0.000 0.907 491 Q HN 0.196 nan 8.270 nan 0.000 0.439 492 K N -0.855 119.561 120.400 0.026 0.000 2.097 492 K HA -0.085 4.224 4.320 -0.017 0.000 0.206 492 K C 1.971 178.671 176.600 0.167 0.000 1.049 492 K CA 1.380 57.742 56.287 0.125 0.000 0.933 492 K CB -0.119 32.450 32.500 0.114 0.000 0.717 492 K HN 0.060 nan 8.250 nan 0.000 0.442 493 V N 1.907 121.861 119.914 0.067 0.000 2.295 493 V HA -0.244 3.866 4.120 -0.017 0.000 0.246 493 V C 2.014 178.117 176.094 0.015 0.000 1.049 493 V CA 1.791 64.121 62.300 0.049 0.000 1.024 493 V CB -0.418 31.421 31.823 0.027 0.000 0.648 493 V HN 0.333 nan 8.190 nan 0.000 0.447 494 E N -0.062 120.146 120.200 0.013 0.000 2.085 494 E HA -0.206 4.134 4.350 -0.017 0.000 0.194 494 E C 2.223 178.829 176.600 0.010 0.000 0.994 494 E CA 1.317 57.721 56.400 0.007 0.000 0.801 494 E CB -0.208 29.496 29.700 0.007 0.000 0.743 494 E HN 0.506 nan 8.360 nan 0.000 0.453 495 L N 0.706 121.963 121.223 0.057 0.000 2.093 495 L HA -0.166 4.164 4.340 -0.017 0.000 0.208 495 L C 2.567 179.415 176.870 -0.036 0.000 1.085 495 L CA 0.632 55.533 54.840 0.101 0.000 0.755 495 L CB -0.318 41.888 42.059 0.245 0.000 0.904 495 L HN 0.224 nan 8.230 nan 0.000 0.435 496 L N -0.152 120.941 121.223 -0.218 0.000 2.017 496 L HA -0.237 4.093 4.340 -0.017 0.000 0.208 496 L C 2.927 179.553 176.870 -0.407 0.000 1.073 496 L CA 1.465 55.818 54.840 -0.812 0.000 0.745 496 L CB -0.170 41.493 42.059 -0.659 0.000 0.894 496 L HN 0.170 nan 8.230 nan 0.000 0.432 497 R N -0.251 120.138 120.500 -0.186 0.000 2.096 497 R HA -0.218 4.112 4.340 -0.017 0.000 0.235 497 R C 2.362 178.623 176.300 -0.065 0.000 1.127 497 R CA 1.729 57.771 56.100 -0.096 0.000 0.968 497 R CB -0.286 29.989 30.300 -0.042 0.000 0.861 497 R HN 0.345 nan 8.270 nan 0.000 0.440 498 K N 0.539 120.909 120.400 -0.050 0.000 2.148 498 K HA -0.061 4.249 4.320 -0.017 0.000 0.204 498 K C 2.014 178.612 176.600 -0.003 0.000 1.050 498 K CA 1.137 57.418 56.287 -0.010 0.000 0.942 498 K CB 0.004 32.510 32.500 0.011 0.000 0.724 498 K HN 0.153 nan 8.250 nan 0.000 0.446 499 A N 0.467 123.257 122.820 -0.049 0.000 1.898 499 A HA -0.086 4.224 4.320 -0.017 0.000 0.216 499 A C 2.176 179.757 177.584 -0.006 0.000 1.181 499 A CA 1.355 53.378 52.037 -0.023 0.000 0.620 499 A CB -0.507 18.439 19.000 -0.090 0.000 0.819 499 A HN 0.151 nan 8.150 nan 0.000 0.442 500 V N -0.103 119.770 119.914 -0.068 0.000 2.307 500 V HA -0.233 3.877 4.120 -0.017 0.000 0.245 500 V C 2.749 178.885 176.094 0.070 0.000 1.045 500 V CA 1.985 64.280 62.300 -0.009 0.000 1.024 500 V CB -0.669 31.134 31.823 -0.034 0.000 0.651 500 V HN 0.516 nan 8.190 nan 0.000 0.449 501 Q N -0.186 119.641 119.800 0.044 0.000 2.124 501 Q HA -0.134 4.196 4.340 -0.017 0.000 0.202 501 Q C 2.411 178.464 176.000 0.087 0.000 0.977 501 Q CA 1.898 57.737 55.803 0.061 0.000 0.850 501 Q CB -0.720 28.042 28.738 0.038 0.000 0.901 501 Q HN 0.653 nan 8.270 nan 0.000 0.429 502 A N 0.424 123.301 122.820 0.096 0.000 1.933 502 A HA -0.219 4.091 4.320 -0.017 0.000 0.218 502 A C 2.029 179.710 177.584 0.162 0.000 1.175 502 A CA 1.628 53.737 52.037 0.120 0.000 0.628 502 A CB -0.780 18.294 19.000 0.124 0.000 0.814 502 A HN 0.435 nan 8.150 nan 0.000 0.444 503 H N -0.554 118.568 119.070 0.085 0.000 2.389 503 H HA -0.079 4.467 4.556 -0.017 0.000 0.299 503 H C 2.326 177.709 175.328 0.091 0.000 1.081 503 H CA 1.858 57.957 56.048 0.085 0.000 1.345 503 H CB 0.047 29.832 29.762 0.040 0.000 1.393 503 H HN 0.391 nan 8.280 nan 0.000 0.520 504 R N 1.018 121.629 120.500 0.186 0.000 2.096 504 R HA -0.027 4.303 4.340 -0.017 0.000 0.235 504 R C 2.408 178.752 176.300 0.073 0.000 1.127 504 R CA 1.577 57.754 56.100 0.128 0.000 0.968 504 R CB -0.827 29.539 30.300 0.111 0.000 0.861 504 R HN 0.316 nan 8.270 nan 0.000 0.440 505 A N -0.791 122.072 122.820 0.072 0.000 1.898 505 A HA -0.174 4.136 4.320 -0.017 0.000 0.216 505 A C 2.234 179.834 177.584 0.028 0.000 1.181 505 A CA 1.418 53.482 52.037 0.045 0.000 0.620 505 A CB -0.981 18.044 19.000 0.042 0.000 0.819 505 A HN 0.572 nan 8.150 nan 0.000 0.442 506 Y N 0.821 121.048 120.300 -0.122 0.000 2.181 506 Y HA -0.227 4.313 4.550 -0.016 0.000 0.288 506 Y C 2.795 178.576 175.900 -0.198 0.000 1.146 506 Y CA 1.853 59.835 58.100 -0.196 0.000 1.164 506 Y CB -0.144 38.171 38.460 -0.241 0.000 0.982 506 Y HN 0.353 nan 8.280 nan 0.000 0.515 507 T N -0.066 114.507 114.554 0.032 0.000 2.746 507 T HA -0.201 4.139 4.350 -0.017 0.000 0.267 507 T C 1.298 176.016 174.700 0.030 0.000 1.039 507 T CA 1.616 63.707 62.100 -0.014 0.000 1.142 507 T CB -0.359 68.498 68.868 -0.019 0.000 0.866 507 T HN 0.404 nan 8.240 nan 0.000 0.444 508 D N 0.698 121.119 120.400 0.036 0.000 2.178 508 D HA -0.025 4.605 4.640 -0.017 0.000 0.201 508 D C 2.393 178.716 176.300 0.038 0.000 0.980 508 D CA 0.801 54.823 54.000 0.038 0.000 0.842 508 D CB -0.092 40.730 40.800 0.037 0.000 0.948 508 D HN 0.361 nan 8.370 nan 0.000 0.472 509 R N 0.641 121.149 120.500 0.013 0.000 2.062 509 R HA 0.025 4.355 4.340 -0.017 0.000 0.229 509 R C 2.372 178.691 176.300 0.033 0.000 1.128 509 R CA 0.981 57.078 56.100 -0.005 0.000 0.960 509 R CB -0.234 29.978 30.300 -0.147 0.000 0.855 509 R HN 0.044 nan 8.270 nan 0.000 0.432 510 A N 2.251 125.098 122.820 0.045 0.000 1.883 510 A HA -0.176 4.134 4.320 -0.017 0.000 0.217 510 A C 2.213 179.833 177.584 0.059 0.000 1.186 510 A CA 1.770 53.834 52.037 0.045 0.000 0.624 510 A CB -0.759 18.255 19.000 0.024 0.000 0.822 510 A HN 0.484 nan 8.150 nan 0.000 0.444 511 I N -3.990 116.618 120.570 0.063 0.000 3.001 511 I HA -0.032 4.128 4.170 -0.017 0.000 0.268 511 I C 1.613 177.832 176.117 0.170 0.000 1.267 511 I CA 1.106 62.458 61.300 0.086 0.000 1.472 511 I CB -0.217 37.812 38.000 0.048 0.000 1.089 511 I HN 0.110 nan 8.210 nan 0.000 0.468 512 R N 1.604 122.218 120.500 0.191 0.000 2.466 512 R HA 0.280 4.610 4.340 -0.017 0.000 0.279 512 R C 1.038 177.590 176.300 0.419 0.000 0.976 512 R CA 0.444 56.724 56.100 0.300 0.000 1.081 512 R CB 0.587 30.990 30.300 0.172 0.000 1.215 512 R HN 0.588 nan 8.270 nan 0.000 0.546 513 G N 1.652 110.630 108.800 0.296 0.000 2.160 513 G HA2 -0.298 3.652 3.960 -0.017 0.000 0.251 513 G HA3 -0.298 3.652 3.960 -0.017 0.000 0.251 513 G C 0.313 175.247 174.900 0.057 0.000 1.008 513 G CA 0.276 45.406 45.100 0.050 0.000 0.724 513 G HN 0.478 nan 8.290 nan 0.000 0.514 514 E N -0.444 119.811 120.200 0.091 0.000 2.538 514 E HA 0.508 4.848 4.350 -0.017 0.000 0.207 514 E C 1.645 178.298 176.600 0.090 0.000 1.002 514 E CA 0.223 56.687 56.400 0.106 0.000 0.952 514 E CB 0.549 30.312 29.700 0.106 0.000 1.031 514 E HN 0.717 nan 8.360 nan 0.000 0.476 515 A N 0.500 123.353 122.820 0.056 0.000 2.251 515 A HA 0.301 4.611 4.320 -0.017 0.000 0.278 515 A C 0.501 178.208 177.584 0.205 0.000 1.206 515 A CA -0.125 51.931 52.037 0.032 0.000 0.822 515 A CB 0.047 19.053 19.000 0.010 0.000 1.187 515 A HN 0.338 nan 8.150 nan 0.000 0.504 516 F N -3.033 117.039 119.950 0.205 0.000 2.789 516 F HA 0.299 4.816 4.527 -0.017 0.000 0.320 516 F C 0.833 176.786 175.800 0.255 0.000 1.079 516 F CA 0.309 58.475 58.000 0.277 0.000 1.205 516 F CB -0.393 38.785 39.000 0.297 0.000 1.046 516 F HN 0.470 nan 8.300 nan 0.000 0.586 517 D N 1.358 121.600 120.400 -0.265 0.000 2.104 517 D HA -0.131 4.499 4.640 -0.017 0.000 0.194 517 D C 2.083 178.477 176.300 0.157 0.000 0.994 517 D CA 1.712 55.695 54.000 -0.029 0.000 0.830 517 D CB 0.002 40.711 40.800 -0.151 0.000 0.959 517 D HN 0.033 nan 8.370 nan 0.000 0.452 518 R N -0.326 120.234 120.500 0.100 0.000 2.115 518 R HA -0.083 4.247 4.340 -0.017 0.000 0.230 518 R C 2.095 178.671 176.300 0.461 0.000 1.111 518 R CA 0.835 57.032 56.100 0.161 0.000 0.976 518 R CB -0.997 29.273 30.300 -0.049 0.000 0.870 518 R HN 0.565 nan 8.270 nan 0.000 0.445 519 H N 0.663 119.947 119.070 0.357 0.000 2.321 519 H HA 0.001 4.547 4.556 -0.017 0.000 0.300 519 H C 2.016 177.512 175.328 0.281 0.000 1.087 519 H CA 1.224 57.490 56.048 0.363 0.000 1.319 519 H CB 0.178 30.109 29.762 0.282 0.000 1.379 519 H HN 0.045 nan 8.280 nan 0.000 0.501 520 L N 0.373 121.757 121.223 0.268 0.000 2.083 520 L HA -0.180 4.150 4.340 -0.017 0.000 0.209 520 L C 2.735 179.644 176.870 0.066 0.000 1.083 520 L CA 0.589 55.524 54.840 0.159 0.000 0.752 520 L CB -0.384 41.817 42.059 0.237 0.000 0.899 520 L HN 0.340 nan 8.230 nan 0.000 0.433 521 L N 0.491 121.800 121.223 0.143 0.000 2.046 521 L HA -0.074 4.256 4.340 -0.017 0.000 0.208 521 L C 2.357 179.190 176.870 -0.062 0.000 1.077 521 L CA 2.170 57.022 54.840 0.019 0.000 0.747 521 L CB -1.071 41.085 42.059 0.162 0.000 0.896 521 L HN 0.107 nan 8.230 nan 0.000 0.432 522 G N -0.326 108.609 108.800 0.225 0.000 2.418 522 G HA2 -0.240 3.710 3.960 -0.017 0.000 0.217 522 G HA3 -0.240 3.710 3.960 -0.017 0.000 0.217 522 G C 1.604 176.535 174.900 0.050 0.000 1.158 522 G CA 1.125 46.418 45.100 0.321 0.000 0.771 522 G HN 0.453 nan 8.290 nan 0.000 0.545 523 L N 0.014 121.275 121.223 0.065 0.000 2.083 523 L HA -0.029 4.301 4.340 -0.017 0.000 0.209 523 L C 2.800 179.625 176.870 -0.075 0.000 1.083 523 L CA 1.459 56.356 54.840 0.096 0.000 0.752 523 L CB -0.278 41.947 42.059 0.276 0.000 0.899 523 L HN 0.221 nan 8.230 nan 0.000 0.433 524 K N 0.644 120.729 120.400 -0.525 0.000 2.057 524 K HA -0.138 4.172 4.320 -0.017 0.000 0.206 524 K C 2.134 178.454 176.600 -0.466 0.000 1.050 524 K CA 1.122 56.908 56.287 -0.835 0.000 0.935 524 K CB 0.001 31.682 32.500 -1.365 0.000 0.715 524 K HN 0.239 nan 8.250 nan 0.000 0.439 525 L N 0.728 121.620 121.223 -0.551 0.000 2.093 525 L HA -0.162 4.168 4.340 -0.017 0.000 0.208 525 L C 2.693 179.318 176.870 -0.408 0.000 1.085 525 L CA 0.976 55.397 54.840 -0.700 0.000 0.755 525 L CB -0.412 40.728 42.059 -1.531 0.000 0.904 525 L HN 0.287 nan 8.230 nan 0.000 0.435 526 Q N 0.558 120.231 119.800 -0.212 0.000 2.084 526 Q HA -0.165 4.165 4.340 -0.017 0.000 0.202 526 Q C 2.218 178.260 176.000 0.070 0.000 0.978 526 Q CA 2.033 57.913 55.803 0.129 0.000 0.844 526 Q CB -0.220 28.639 28.738 0.201 0.000 0.898 526 Q HN 0.421 nan 8.270 nan 0.000 0.426 527 A N 0.206 123.037 122.820 0.018 0.000 1.902 527 A HA -0.155 4.154 4.320 -0.017 0.000 0.217 527 A C 2.133 179.728 177.584 0.017 0.000 1.181 527 A CA 1.551 53.614 52.037 0.043 0.000 0.623 527 A CB -0.763 18.281 19.000 0.074 0.000 0.818 527 A HN 0.487 nan 8.150 nan 0.000 0.443 528 I N -0.394 120.156 120.570 -0.033 0.000 2.179 528 I HA -0.252 3.908 4.170 -0.017 0.000 0.242 528 I C 2.423 178.554 176.117 0.023 0.000 1.088 528 I CA 1.626 62.911 61.300 -0.025 0.000 1.357 528 I CB -0.474 37.479 38.000 -0.079 0.000 1.051 528 I HN 0.435 nan 8.210 nan 0.000 0.409 529 E N 0.464 120.700 120.200 0.060 0.000 2.208 529 E HA -0.188 4.152 4.350 -0.017 0.000 0.193 529 E C 1.191 177.845 176.600 0.090 0.000 0.988 529 E CA 0.823 57.290 56.400 0.112 0.000 0.828 529 E CB -0.088 29.746 29.700 0.223 0.000 0.763 529 E HN 0.447 nan 8.360 nan 0.000 0.478 530 D N 0.246 120.693 120.400 0.078 0.000 2.363 530 D HA 0.016 4.646 4.640 -0.017 0.000 0.220 530 D C 0.589 176.915 176.300 0.043 0.000 0.994 530 D CA 0.307 54.343 54.000 0.060 0.000 0.890 530 D CB 0.155 40.989 40.800 0.056 0.000 0.906 530 D HN 0.091 nan 8.370 nan 0.000 0.530 531 L N -0.819 120.428 121.223 0.040 0.000 3.730 531 L HA -0.191 4.139 4.340 -0.017 0.000 0.410 531 L C -0.047 176.839 176.870 0.027 0.000 1.234 531 L CA -0.172 54.686 54.840 0.030 0.000 0.911 531 L CB -2.275 39.801 42.059 0.028 0.000 1.942 531 L HN -0.054 nan 8.230 nan 0.000 0.860 532 V N -4.294 115.638 119.914 0.031 0.000 2.994 532 V HA 0.748 4.857 4.120 -0.017 0.000 0.318 532 V C 0.989 177.104 176.094 0.034 0.000 1.085 532 V CA -0.591 61.728 62.300 0.031 0.000 0.998 532 V CB 1.828 33.673 31.823 0.037 0.000 1.063 532 V HN 0.187 nan 8.190 nan 0.000 0.447 533 S N 2.592 118.312 115.700 0.033 0.000 2.563 533 S HA 0.244 4.704 4.470 -0.017 0.000 0.284 533 S C 0.091 174.722 174.600 0.052 0.000 1.331 533 S CA -0.136 58.085 58.200 0.034 0.000 1.047 533 S CB 0.179 63.397 63.200 0.029 0.000 0.859 533 S HN 0.932 nan 8.310 nan 0.000 0.514 534 M N 4.364 123.993 119.600 0.049 0.000 2.303 534 M HA 0.188 4.658 4.480 -0.017 0.000 0.350 534 M C -2.519 173.835 176.300 0.090 0.000 1.518 534 M CA -1.684 53.661 55.300 0.075 0.000 1.070 534 M CB -0.434 32.199 32.600 0.056 0.000 1.910 534 M HN 0.224 nan 8.290 nan 0.000 0.458 535 P HA 0.019 nan 4.420 nan 0.000 0.266 535 P C -0.087 177.157 177.300 -0.092 0.000 1.195 535 P CA -0.024 63.109 63.100 0.055 0.000 0.768 535 P CB 0.522 32.275 31.700 0.089 0.000 0.838 536 D N 1.896 122.229 120.400 -0.111 0.000 2.182 536 D HA -0.164 4.465 4.640 -0.017 0.000 0.201 536 D C 1.661 177.792 176.300 -0.281 0.000 0.986 536 D CA 1.097 55.016 54.000 -0.135 0.000 0.847 536 D CB -0.291 40.452 40.800 -0.095 0.000 0.942 536 D HN 0.405 nan 8.370 nan 0.000 0.467 537 I N -0.332 119.898 120.570 -0.567 0.000 2.423 537 I HA -0.261 3.899 4.170 -0.017 0.000 0.254 537 I C 1.395 177.005 176.117 -0.845 0.000 1.151 537 I CA 1.060 61.869 61.300 -0.819 0.000 1.421 537 I CB -0.023 37.145 38.000 -1.387 0.000 1.079 537 I HN -0.113 nan 8.210 nan 0.000 0.431 538 F N -0.861 118.818 119.950 -0.452 0.000 2.754 538 F HA 0.058 4.575 4.527 -0.017 0.000 0.297 538 F C 1.951 177.684 175.800 -0.111 0.000 1.122 538 F CA -0.110 57.608 58.000 -0.470 0.000 1.400 538 F CB -0.000 38.724 39.000 -0.460 0.000 1.117 538 F HN 0.020 nan 8.300 nan 0.000 0.587 539 M N -0.510 119.113 119.600 0.039 0.000 2.502 539 M HA 0.071 4.541 4.480 -0.017 0.000 0.243 539 M C 0.044 176.391 176.300 0.078 0.000 1.130 539 M CA 0.374 55.718 55.300 0.073 0.000 1.055 539 M CB -0.915 31.709 32.600 0.040 0.000 1.457 539 M HN -0.095 nan 8.290 nan 0.000 0.488 540 D N 0.914 121.348 120.400 0.058 0.000 2.443 540 D HA 0.009 4.639 4.640 -0.017 0.000 0.239 540 D C 0.940 177.322 176.300 0.136 0.000 1.136 540 D CA 0.629 54.680 54.000 0.085 0.000 0.879 540 D CB 1.279 42.087 40.800 0.013 0.000 1.195 540 D HN 0.056 nan 8.370 nan 0.000 0.443 541 T N 1.840 116.463 114.554 0.115 0.000 2.720 541 T HA -0.142 4.198 4.350 -0.017 0.000 0.268 541 T C 1.956 176.714 174.700 0.097 0.000 1.037 541 T CA 1.552 63.704 62.100 0.087 0.000 1.144 541 T CB -0.152 68.754 68.868 0.063 0.000 0.864 541 T HN 0.370 nan 8.240 nan 0.000 0.444 542 S N 0.117 115.885 115.700 0.114 0.000 2.383 542 S HA -0.112 4.347 4.470 -0.017 0.000 0.229 542 S C 1.662 176.380 174.600 0.197 0.000 1.030 542 S CA 1.034 59.303 58.200 0.114 0.000 1.002 542 S CB -0.462 62.769 63.200 0.051 0.000 0.829 542 S HN 0.622 nan 8.310 nan 0.000 0.467 543 Y N 1.810 122.195 120.300 0.142 0.000 2.200 543 Y HA -0.102 4.438 4.550 -0.017 0.000 0.290 543 Y C 2.429 178.396 175.900 0.111 0.000 1.137 543 Y CA 0.990 59.202 58.100 0.187 0.000 1.163 543 Y CB -0.423 38.121 38.460 0.141 0.000 0.988 543 Y HN 0.261 nan 8.280 nan 0.000 0.518 544 A N 0.325 123.182 122.820 0.062 0.000 1.902 544 A HA -0.179 4.131 4.320 -0.017 0.000 0.217 544 A C 2.181 179.714 177.584 -0.086 0.000 1.181 544 A CA 1.905 53.923 52.037 -0.032 0.000 0.623 544 A CB -1.017 17.997 19.000 0.023 0.000 0.818 544 A HN 0.578 nan 8.150 nan 0.000 0.443 545 I N -0.360 120.181 120.570 -0.048 0.000 2.202 545 I HA -0.255 3.905 4.170 -0.017 0.000 0.242 545 I C 2.963 179.019 176.117 -0.100 0.000 1.091 545 I CA 1.023 62.289 61.300 -0.057 0.000 1.368 545 I CB -0.343 37.651 38.000 -0.009 0.000 1.058 545 I HN 0.354 nan 8.210 nan 0.000 0.410 546 A N 0.474 123.242 122.820 -0.087 0.000 1.972 546 A HA -0.170 4.140 4.320 -0.017 0.000 0.219 546 A C 2.116 179.428 177.584 -0.454 0.000 1.169 546 A CA 1.437 53.413 52.037 -0.102 0.000 0.635 546 A CB -0.307 18.786 19.000 0.155 0.000 0.810 546 A HN 0.325 nan 8.150 nan 0.000 0.446 547 M N -0.448 118.831 119.600 -0.534 0.000 2.495 547 M HA 0.103 4.573 4.480 -0.017 0.000 0.237 547 M C 0.429 176.318 176.300 -0.684 0.000 1.131 547 M CA 0.380 55.268 55.300 -0.686 0.000 1.032 547 M CB -0.804 31.487 32.600 -0.516 0.000 1.513 547 M HN 0.437 nan 8.290 nan 0.000 0.488 548 H N 0.428 119.121 119.070 -0.628 0.000 2.746 548 H HA 0.235 4.781 4.556 -0.017 0.000 0.269 548 H C -1.288 173.823 175.328 -0.361 0.000 1.248 548 H CA -0.456 55.377 56.048 -0.358 0.000 1.258 548 H CB 0.057 29.702 29.762 -0.195 0.000 1.441 548 H HN -0.044 nan 8.280 nan 0.000 0.508 549 F N 4.646 124.521 119.950 -0.125 0.000 2.462 549 F HA 0.127 4.644 4.527 -0.017 0.000 0.354 549 F C 1.696 177.467 175.800 -0.048 0.000 1.192 549 F CA -0.434 57.543 58.000 -0.039 0.000 1.173 549 F CB 0.109 39.106 39.000 -0.005 0.000 1.402 549 F HN 0.504 nan 8.300 nan 0.000 0.595 550 N N 2.331 121.117 118.700 0.144 0.000 2.364 550 N HA -0.098 4.632 4.740 -0.017 0.000 0.183 550 N C 0.179 175.800 175.510 0.186 0.000 1.022 550 N CA 0.972 54.099 53.050 0.128 0.000 0.883 550 N CB 0.377 38.921 38.487 0.096 0.000 0.965 550 N HN 0.384 nan 8.380 nan 0.000 0.438 551 L N 0.544 121.875 121.223 0.181 0.000 2.372 551 L HA 0.250 4.580 4.340 -0.017 0.000 0.273 551 L C -0.507 176.500 176.870 0.229 0.000 0.989 551 L CA -0.343 54.617 54.840 0.200 0.000 0.841 551 L CB 2.104 44.215 42.059 0.085 0.000 1.225 551 L HN -0.198 nan 8.230 nan 0.000 0.414 552 S N 2.134 117.979 115.700 0.242 0.000 2.498 552 S HA 0.783 5.243 4.470 -0.017 0.000 0.317 552 S C -0.315 174.515 174.600 0.383 0.000 1.090 552 S CA -0.349 57.977 58.200 0.210 0.000 1.089 552 S CB 1.121 64.402 63.200 0.135 0.000 0.997 552 S HN 0.699 nan 8.310 nan 0.000 0.470 553 T N 0.808 115.589 114.554 0.378 0.000 2.865 553 T HA 0.887 5.227 4.350 -0.017 0.000 0.294 553 T C -0.734 174.187 174.700 0.368 0.000 1.119 553 T CA -0.544 61.826 62.100 0.451 0.000 1.007 553 T CB 1.502 70.598 68.868 0.379 0.000 1.225 553 T HN 1.149 nan 8.240 nan 0.000 0.515 554 S N 0.009 115.887 115.700 0.298 0.000 2.565 554 S HA 0.471 4.931 4.470 -0.017 0.000 0.274 554 S C -1.655 172.782 174.600 -0.272 0.000 1.144 554 S CA -0.950 57.297 58.200 0.077 0.000 0.849 554 S CB 1.726 64.996 63.200 0.116 0.000 1.103 554 S HN 1.144 nan 8.310 nan 0.000 0.455 555 Q N 1.149 120.714 119.800 -0.392 0.000 2.312 555 Q HA 0.703 5.033 4.340 -0.017 0.000 0.263 555 Q C -1.696 174.150 176.000 -0.257 0.000 0.995 555 Q CA -0.901 54.503 55.803 -0.664 0.000 0.853 555 Q CB 1.894 30.308 28.738 -0.539 0.000 1.300 555 Q HN 0.741 nan 8.270 nan 0.000 0.448 556 V N 6.218 126.009 119.914 -0.205 0.000 2.465 556 V HA 0.319 4.428 4.120 -0.017 0.000 0.263 556 V C -2.297 173.757 176.094 -0.067 0.000 0.981 556 V CA -1.234 61.017 62.300 -0.082 0.000 0.838 556 V CB 1.056 32.863 31.823 -0.027 0.000 1.068 556 V HN 0.730 nan 8.190 nan 0.000 0.458 557 P HA 0.558 nan 4.420 nan 0.000 0.275 557 P C -0.556 176.741 177.300 -0.005 0.000 1.227 557 P CA 0.178 63.262 63.100 -0.026 0.000 0.781 557 P CB 2.145 33.840 31.700 -0.008 0.000 0.906 558 A N 2.709 125.529 122.820 -0.000 0.000 2.606 558 A HA 0.388 4.698 4.320 -0.017 0.000 0.293 558 A C 0.790 178.388 177.584 0.024 0.000 1.082 558 A CA -0.667 51.380 52.037 0.017 0.000 0.685 558 A CB 1.239 20.249 19.000 0.017 0.000 1.284 558 A HN 0.372 nan 8.150 nan 0.000 0.408 559 K N -0.007 120.415 120.400 0.037 0.000 2.155 559 K HA 0.030 4.339 4.320 -0.017 0.000 0.203 559 K C 0.199 176.828 176.600 0.048 0.000 1.052 559 K CA 1.233 57.545 56.287 0.042 0.000 0.948 559 K CB -0.093 32.436 32.500 0.048 0.000 0.728 559 K HN 0.718 nan 8.250 nan 0.000 0.448 560 T N 1.880 116.464 114.554 0.050 0.000 2.901 560 T HA -0.021 4.319 4.350 -0.017 0.000 0.301 560 T C -0.081 174.657 174.700 0.064 0.000 1.012 560 T CA -0.156 61.980 62.100 0.060 0.000 1.135 560 T CB 0.887 69.793 68.868 0.063 0.000 0.936 560 T HN 0.029 nan 8.240 nan 0.000 0.539 561 D N 2.604 123.053 120.400 0.082 0.000 2.600 561 D HA 0.163 4.793 4.640 -0.017 0.000 0.226 561 D C 0.326 176.682 176.300 0.093 0.000 1.119 561 D CA -0.527 53.542 54.000 0.115 0.000 1.051 561 D CB -0.883 40.005 40.800 0.147 0.000 1.106 561 D HN 0.614 nan 8.370 nan 0.000 0.491 562 C N -0.084 119.259 119.300 0.070 0.000 2.871 562 C HA 0.922 5.372 4.460 -0.017 0.000 0.351 562 C C -0.169 174.851 174.990 0.049 0.000 1.338 562 C CA -0.865 58.188 59.018 0.060 0.000 1.686 562 C CB 1.372 29.145 27.740 0.054 0.000 2.135 562 C HN 0.213 nan 8.230 nan 0.000 0.476 563 V N 0.724 120.666 119.914 0.047 0.000 3.147 563 V HA 0.620 4.730 4.120 -0.017 0.000 0.299 563 V C -1.062 175.061 176.094 0.049 0.000 1.302 563 V CA -0.474 61.852 62.300 0.043 0.000 1.015 563 V CB 2.275 34.129 31.823 0.053 0.000 1.086 563 V HN 1.072 nan 8.190 nan 0.000 0.437 564 M N 3.611 123.248 119.600 0.061 0.000 2.762 564 M HA 0.937 5.407 4.480 -0.017 0.000 0.306 564 M C -0.391 175.954 176.300 0.075 0.000 1.223 564 M CA -0.666 54.685 55.300 0.087 0.000 0.896 564 M CB 2.137 34.819 32.600 0.137 0.000 1.684 564 M HN 0.862 nan 8.290 nan 0.000 0.491 565 A N 1.303 124.169 122.820 0.077 0.000 2.587 565 A HA 0.954 5.264 4.320 -0.017 0.000 0.293 565 A C -1.746 175.890 177.584 0.087 0.000 1.087 565 A CA -0.588 51.434 52.037 -0.026 0.000 0.692 565 A CB 1.513 20.475 19.000 -0.065 0.000 1.291 565 A HN 0.827 nan 8.150 nan 0.000 0.407 566 F N -1.092 118.860 119.950 0.002 0.000 2.719 566 F HA 0.746 5.263 4.527 -0.016 0.000 0.309 566 F C 0.212 176.009 175.800 -0.004 0.000 1.138 566 F CA -0.590 57.407 58.000 -0.006 0.000 0.943 566 F CB 0.701 39.712 39.000 0.019 0.000 1.304 566 F HN 0.949 nan 8.300 nan 0.000 0.445 567 G N 0.913 109.843 108.800 0.216 0.000 2.569 567 G HA2 0.551 4.501 3.960 -0.017 0.000 0.249 567 G HA3 0.551 4.501 3.960 -0.017 0.000 0.249 567 G C -2.961 172.065 174.900 0.209 0.000 1.216 567 G CA -1.682 43.479 45.100 0.103 0.000 0.845 567 G HN 0.522 nan 8.290 nan 0.000 0.568 568 P HA 0.071 nan 4.420 nan 0.000 0.268 568 P C 1.122 178.594 177.300 0.285 0.000 1.208 568 P CA -0.243 62.898 63.100 0.068 0.000 0.777 568 P CB 0.939 32.522 31.700 -0.194 0.000 0.875 569 V N 0.084 120.111 119.914 0.190 0.000 3.608 569 V HA 0.127 4.237 4.120 -0.017 0.000 0.269 569 V C 0.504 176.627 176.094 0.048 0.000 1.245 569 V CA 0.501 62.865 62.300 0.108 0.000 1.138 569 V CB -0.665 31.139 31.823 -0.032 0.000 0.841 569 V HN 0.335 nan 8.190 nan 0.000 0.451 570 V N -5.656 114.296 119.914 0.063 0.000 3.007 570 V HA 0.642 4.752 4.120 -0.017 0.000 0.311 570 V C -2.082 174.104 176.094 0.154 0.000 1.120 570 V CA -1.875 60.401 62.300 -0.040 0.000 0.980 570 V CB 1.281 32.838 31.823 -0.444 0.000 1.033 570 V HN -0.015 nan 8.190 nan 0.000 0.429 571 P HA -0.105 nan 4.420 nan 0.000 0.216 571 P C 0.428 177.848 177.300 0.200 0.000 1.150 571 P CA 1.848 65.036 63.100 0.146 0.000 0.837 571 P CB 0.004 31.721 31.700 0.029 0.000 0.786 572 D N -1.335 119.146 120.400 0.134 0.000 2.587 572 D HA 0.218 4.848 4.640 -0.017 0.000 0.233 572 D C 0.697 176.993 176.300 -0.006 0.000 1.213 572 D CA -0.355 53.683 54.000 0.064 0.000 0.827 572 D CB -0.330 40.522 40.800 0.086 0.000 1.006 572 D HN 0.031 nan 8.370 nan 0.000 0.490 573 G N -0.824 107.955 108.800 -0.035 0.000 3.140 573 G HA2 0.577 4.527 3.960 -0.017 0.000 0.271 573 G HA3 0.577 4.527 3.960 -0.017 0.000 0.271 573 G C -1.626 173.116 174.900 -0.263 0.000 1.370 573 G CA -0.823 44.235 45.100 -0.069 0.000 1.014 573 G HN 0.090 nan 8.290 nan 0.000 0.541 574 Y N -1.391 118.937 120.300 0.046 0.000 2.536 574 Y HA 0.604 5.144 4.550 -0.017 0.000 0.347 574 Y C 0.617 176.518 175.900 0.001 0.000 1.000 574 Y CA -0.620 57.477 58.100 -0.005 0.000 1.051 574 Y CB 2.755 41.242 38.460 0.044 0.000 1.259 574 Y HN 0.701 nan 8.280 nan 0.000 0.468 575 G N 2.855 111.690 108.800 0.058 0.000 2.502 575 G HA2 0.667 4.617 3.960 -0.017 0.000 0.311 575 G HA3 0.667 4.617 3.960 -0.017 0.000 0.311 575 G C -1.275 173.420 174.900 -0.342 0.000 1.270 575 G CA -0.464 44.549 45.100 -0.145 0.000 0.948 575 G HN 0.525 nan 8.290 nan 0.000 0.487 576 I N 1.722 122.195 120.570 -0.161 0.000 2.466 576 I HA 0.381 4.540 4.170 -0.017 0.000 0.289 576 I C -0.510 175.692 176.117 0.142 0.000 1.026 576 I CA -0.726 60.568 61.300 -0.011 0.000 1.078 576 I CB 2.168 40.257 38.000 0.149 0.000 1.249 576 I HN 0.428 nan 8.210 nan 0.000 0.429 577 C N 7.195 126.569 119.300 0.124 0.000 2.634 577 C HA 0.859 5.309 4.460 -0.017 0.000 0.313 577 C C -1.251 173.902 174.990 0.271 0.000 1.198 577 C CA -0.394 58.750 59.018 0.211 0.000 1.605 577 C CB 1.417 29.263 27.740 0.178 0.000 2.196 577 C HN 0.744 nan 8.230 nan 0.000 0.486 578 Y N 2.225 122.547 120.300 0.037 0.000 2.581 578 Y HA 0.617 5.157 4.550 -0.017 0.000 0.337 578 Y C -0.908 174.901 175.900 -0.152 0.000 1.108 578 Y CA -1.251 56.740 58.100 -0.181 0.000 1.033 578 Y CB 0.843 38.984 38.460 -0.531 0.000 1.318 578 Y HN 0.555 nan 8.280 nan 0.000 0.459 579 N N 3.374 122.021 118.700 -0.088 0.000 2.569 579 N HA 0.425 5.155 4.740 -0.017 0.000 0.254 579 N C -3.317 172.133 175.510 -0.100 0.000 1.004 579 N CA -2.509 50.491 53.050 -0.084 0.000 0.904 579 N CB 1.879 40.333 38.487 -0.055 0.000 1.165 579 N HN 0.488 nan 8.380 nan 0.000 0.513 580 P HA 0.186 nan 4.420 nan 0.000 0.286 580 P C -0.212 177.031 177.300 -0.094 0.000 1.321 580 P CA -0.256 62.810 63.100 -0.056 0.000 0.790 580 P CB 0.741 32.479 31.700 0.063 0.000 0.897 581 M N 2.006 121.476 119.600 -0.216 0.000 2.336 581 M HA 0.212 4.682 4.480 -0.017 0.000 0.256 581 M C 1.742 177.981 176.300 -0.102 0.000 1.176 581 M CA -0.589 54.575 55.300 -0.227 0.000 0.948 581 M CB 0.008 32.273 32.600 -0.558 0.000 1.393 581 M HN 0.228 nan 8.290 nan 0.000 0.528 582 E N 0.930 121.110 120.200 -0.034 0.000 2.072 582 E HA -0.003 4.336 4.350 -0.017 0.000 0.191 582 E C 1.211 177.869 176.600 0.097 0.000 0.985 582 E CA 1.946 58.370 56.400 0.040 0.000 0.801 582 E CB 0.099 29.831 29.700 0.054 0.000 0.750 582 E HN 0.693 nan 8.360 nan 0.000 0.452 583 A N -0.311 122.589 122.820 0.132 0.000 2.469 583 A HA 0.212 4.522 4.320 -0.017 0.000 0.245 583 A C 0.014 177.769 177.584 0.286 0.000 1.221 583 A CA 0.083 52.249 52.037 0.215 0.000 0.946 583 A CB -0.197 18.925 19.000 0.202 0.000 1.049 583 A HN 0.476 nan 8.150 nan 0.000 0.529 584 H N -2.224 116.919 119.070 0.122 0.000 2.981 584 H HA 0.675 5.222 4.556 -0.015 0.000 0.327 584 H C -2.025 173.368 175.328 0.107 0.000 1.342 584 H CA -1.287 54.833 56.048 0.119 0.000 1.123 584 H CB 0.691 30.503 29.762 0.084 0.000 1.851 584 H HN 0.004 nan 8.280 nan 0.000 0.531 585 I N 1.500 122.155 120.570 0.141 0.000 2.534 585 I HA 0.233 4.393 4.170 -0.017 0.000 0.288 585 I C -0.706 175.393 176.117 -0.030 0.000 1.077 585 I CA -0.559 60.679 61.300 -0.104 0.000 1.051 585 I CB 2.077 39.913 38.000 -0.273 0.000 1.234 585 I HN 0.455 nan 8.210 nan 0.000 0.425 586 N N 5.676 124.309 118.700 -0.111 0.000 2.434 586 N HA 0.572 5.302 4.740 -0.017 0.000 0.272 586 N C -1.397 174.036 175.510 -0.129 0.000 1.040 586 N CA -0.356 52.705 53.050 0.019 0.000 0.956 586 N CB 1.141 39.667 38.487 0.065 0.000 1.108 586 N HN 0.272 nan 8.380 nan 0.000 0.481 587 F N 0.490 120.527 119.950 0.145 0.000 2.561 587 F HA 0.489 5.005 4.527 -0.018 0.000 0.321 587 F C 0.349 176.193 175.800 0.073 0.000 1.065 587 F CA -0.812 57.262 58.000 0.123 0.000 0.934 587 F CB 1.897 40.945 39.000 0.079 0.000 1.215 587 F HN 0.302 nan 8.300 nan 0.000 0.471 588 S N 1.124 116.982 115.700 0.263 0.000 2.538 588 S HA 0.899 5.359 4.470 -0.017 0.000 0.288 588 S C -1.566 173.061 174.600 0.045 0.000 1.108 588 S CA -0.683 57.574 58.200 0.096 0.000 0.971 588 S CB 1.632 64.836 63.200 0.006 0.000 1.041 588 S HN 0.397 nan 8.310 nan 0.000 0.483 589 V N 2.839 122.754 119.914 0.001 0.000 2.525 589 V HA 0.756 4.866 4.120 -0.017 0.000 0.299 589 V C -0.160 175.917 176.094 -0.028 0.000 1.034 589 V CA -0.514 61.775 62.300 -0.019 0.000 0.863 589 V CB 1.638 33.451 31.823 -0.018 0.000 0.999 589 V HN 1.149 nan 8.190 nan 0.000 0.423 590 S N 3.354 119.022 115.700 -0.053 0.000 2.566 590 S HA 1.010 5.470 4.470 -0.017 0.000 0.298 590 S C -0.443 174.095 174.600 -0.104 0.000 1.083 590 S CA -0.174 57.962 58.200 -0.106 0.000 0.978 590 S CB 2.508 65.580 63.200 -0.214 0.000 1.073 590 S HN 1.618 nan 8.310 nan 0.000 0.491 591 A N 0.821 123.498 122.820 -0.238 0.000 2.599 591 A HA 0.739 5.049 4.320 -0.017 0.000 0.290 591 A C -2.228 175.109 177.584 -0.412 0.000 1.101 591 A CA -0.823 50.987 52.037 -0.377 0.000 0.674 591 A CB 0.694 19.545 19.000 -0.247 0.000 1.277 591 A HN 0.753 nan 8.150 nan 0.000 0.419 592 Y N 1.181 121.438 120.300 -0.071 0.000 2.341 592 Y HA 0.333 4.873 4.550 -0.017 0.000 0.337 592 Y C 1.330 177.210 175.900 -0.034 0.000 1.014 592 Y CA -1.181 56.902 58.100 -0.028 0.000 1.111 592 Y CB 1.494 39.951 38.460 -0.006 0.000 1.194 592 Y HN 0.712 nan 8.280 nan 0.000 0.462 593 N N 0.471 119.260 118.700 0.147 0.000 2.309 593 N HA -0.141 4.589 4.740 -0.017 0.000 0.182 593 N C 1.663 177.212 175.510 0.064 0.000 1.018 593 N CA 1.343 54.437 53.050 0.074 0.000 0.876 593 N CB -0.117 38.402 38.487 0.052 0.000 0.972 593 N HN 0.667 nan 8.380 nan 0.000 0.434 594 S N -0.765 114.981 115.700 0.077 0.000 2.500 594 S HA -0.055 4.405 4.470 -0.017 0.000 0.239 594 S C 1.220 175.842 174.600 0.037 0.000 0.989 594 S CA -0.034 58.188 58.200 0.037 0.000 0.951 594 S CB -0.533 62.669 63.200 0.003 0.000 0.759 594 S HN 0.343 nan 8.310 nan 0.000 0.523 595 C N 2.316 121.651 119.300 0.058 0.000 2.239 595 C HA 0.821 5.271 4.460 -0.017 0.000 0.323 595 C C 1.695 176.703 174.990 0.031 0.000 1.205 595 C CA -0.588 58.455 59.018 0.041 0.000 1.584 595 C CB -0.567 27.200 27.740 0.044 0.000 2.201 595 C HN 0.568 nan 8.230 nan 0.000 0.475 596 A N 3.688 126.526 122.820 0.030 0.000 2.070 596 A HA -0.097 4.213 4.320 -0.017 0.000 0.220 596 A C 1.822 179.432 177.584 0.044 0.000 1.159 596 A CA 1.651 53.706 52.037 0.031 0.000 0.656 596 A CB -0.229 18.786 19.000 0.025 0.000 0.800 596 A HN 0.884 nan 8.150 nan 0.000 0.453 597 E N -0.081 120.154 120.200 0.059 0.000 2.427 597 E HA 0.017 4.357 4.350 -0.017 0.000 0.196 597 E C 0.809 177.512 176.600 0.173 0.000 1.028 597 E CA 0.950 57.422 56.400 0.120 0.000 0.864 597 E CB -0.079 29.706 29.700 0.142 0.000 0.813 597 E HN 0.731 nan 8.360 nan 0.000 0.514 598 T N -1.260 113.332 114.554 0.063 0.000 2.895 598 T HA 0.494 4.834 4.350 -0.017 0.000 0.283 598 T C -0.320 174.415 174.700 0.059 0.000 1.014 598 T CA -1.020 61.087 62.100 0.011 0.000 1.037 598 T CB 1.609 70.230 68.868 -0.413 0.000 1.006 598 T HN -0.073 nan 8.240 nan 0.000 0.468 599 N N 0.599 119.424 118.700 0.209 0.000 2.572 599 N HA 0.333 5.063 4.740 -0.017 0.000 0.287 599 N C 0.812 176.467 175.510 0.242 0.000 1.136 599 N CA -0.265 52.876 53.050 0.150 0.000 0.900 599 N CB 2.027 40.563 38.487 0.081 0.000 1.484 599 N HN 0.764 nan 8.380 nan 0.000 0.526 600 A N 3.396 126.322 122.820 0.176 0.000 1.908 600 A HA -0.073 4.236 4.320 -0.017 0.000 0.218 600 A C 2.083 179.651 177.584 -0.027 0.000 1.181 600 A CA 2.209 54.329 52.037 0.138 0.000 0.627 600 A CB -0.642 18.396 19.000 0.063 0.000 0.818 600 A HN 0.754 nan 8.150 nan 0.000 0.445 601 A N -0.455 122.309 122.820 -0.093 0.000 1.877 601 A HA -0.191 4.119 4.320 -0.017 0.000 0.216 601 A C 2.277 179.511 177.584 -0.584 0.000 1.186 601 A CA 1.849 53.697 52.037 -0.314 0.000 0.620 601 A CB -0.541 18.330 19.000 -0.215 0.000 0.822 601 A HN 0.556 nan 8.150 nan 0.000 0.443 602 R N -1.500 118.848 120.500 -0.253 0.000 2.073 602 R HA -0.180 4.150 4.340 -0.017 0.000 0.234 602 R C 2.173 178.468 176.300 -0.008 0.000 1.134 602 R CA 2.020 58.078 56.100 -0.070 0.000 0.952 602 R CB -0.331 29.984 30.300 0.024 0.000 0.850 602 R HN 0.467 nan 8.270 nan 0.000 0.433 603 M N 0.426 119.964 119.600 -0.104 0.000 2.108 603 M HA -0.100 4.370 4.480 -0.017 0.000 0.261 603 M C 2.003 178.219 176.300 -0.140 0.000 1.066 603 M CA 2.049 57.218 55.300 -0.218 0.000 1.107 603 M CB -0.320 31.934 32.600 -0.576 0.000 1.356 603 M HN 0.248 nan 8.290 nan 0.000 0.406 604 A N -1.169 121.558 122.820 -0.156 0.000 1.902 604 A HA -0.200 4.110 4.320 -0.017 0.000 0.217 604 A C 1.976 179.568 177.584 0.013 0.000 1.181 604 A CA 2.015 53.978 52.037 -0.124 0.000 0.623 604 A CB -1.337 17.601 19.000 -0.104 0.000 0.818 604 A HN 0.775 nan 8.150 nan 0.000 0.443 605 H N -2.888 116.203 119.070 0.034 0.000 2.321 605 H HA -0.173 4.373 4.556 -0.017 0.000 0.300 605 H C 1.989 177.303 175.328 -0.024 0.000 1.087 605 H CA 1.721 57.779 56.048 0.018 0.000 1.319 605 H CB -0.188 29.590 29.762 0.026 0.000 1.379 605 H HN 0.597 nan 8.280 nan 0.000 0.501 606 Y N 0.253 120.580 120.300 0.045 0.000 2.242 606 Y HA -0.181 4.359 4.550 -0.017 0.000 0.291 606 Y C 2.435 178.303 175.900 -0.053 0.000 1.137 606 Y CA 0.737 58.826 58.100 -0.018 0.000 1.181 606 Y CB -0.236 38.187 38.460 -0.063 0.000 0.989 606 Y HN 0.162 nan 8.280 nan 0.000 0.527 607 L N 0.548 121.787 121.223 0.028 0.000 2.017 607 L HA -0.186 4.144 4.340 -0.017 0.000 0.208 607 L C 2.274 179.059 176.870 -0.142 0.000 1.073 607 L CA 2.067 56.825 54.840 -0.136 0.000 0.745 607 L CB -0.944 40.909 42.059 -0.343 0.000 0.894 607 L HN 0.319 nan 8.230 nan 0.000 0.432 608 E N -0.499 119.671 120.200 -0.050 0.000 2.058 608 E HA -0.332 4.008 4.350 -0.017 0.000 0.194 608 E C 2.168 178.851 176.600 0.139 0.000 0.997 608 E CA 1.551 58.039 56.400 0.147 0.000 0.801 608 E CB -0.106 29.738 29.700 0.240 0.000 0.746 608 E HN 0.333 nan 8.360 nan 0.000 0.450 609 K N 0.526 120.944 120.400 0.030 0.000 2.148 609 K HA -0.047 4.263 4.320 -0.017 0.000 0.204 609 K C 1.720 178.333 176.600 0.023 0.000 1.050 609 K CA 1.338 57.615 56.287 -0.017 0.000 0.942 609 K CB -0.443 31.983 32.500 -0.124 0.000 0.724 609 K HN 0.230 nan 8.250 nan 0.000 0.446 610 A N 0.512 123.351 122.820 0.030 0.000 1.898 610 A HA -0.085 4.225 4.320 -0.017 0.000 0.216 610 A C 2.181 179.821 177.584 0.092 0.000 1.181 610 A CA 1.482 53.551 52.037 0.054 0.000 0.620 610 A CB -0.671 18.355 19.000 0.044 0.000 0.819 610 A HN 0.297 nan 8.150 nan 0.000 0.442 611 L N -0.636 120.642 121.223 0.093 0.000 2.012 611 L HA -0.201 4.129 4.340 -0.017 0.000 0.210 611 L C 2.590 179.760 176.870 0.501 0.000 1.073 611 L CA 1.212 56.213 54.840 0.269 0.000 0.748 611 L CB -0.539 41.462 42.059 -0.097 0.000 0.891 611 L HN 0.374 nan 8.230 nan 0.000 0.431 612 L N -0.691 120.744 121.223 0.354 0.000 2.056 612 L HA -0.212 4.118 4.340 -0.017 0.000 0.207 612 L C 2.210 179.169 176.870 0.149 0.000 1.078 612 L CA 1.018 56.008 54.840 0.251 0.000 0.749 612 L CB -0.611 41.457 42.059 0.016 0.000 0.901 612 L HN 0.264 nan 8.230 nan 0.000 0.433 613 D N -0.245 120.226 120.400 0.119 0.000 2.144 613 D HA -0.168 4.462 4.640 -0.017 0.000 0.199 613 D C 2.304 178.693 176.300 0.149 0.000 0.984 613 D CA 1.301 55.359 54.000 0.097 0.000 0.834 613 D CB -0.067 40.775 40.800 0.071 0.000 0.955 613 D HN 0.301 nan 8.370 nan 0.000 0.465 614 M N -0.197 119.523 119.600 0.200 0.000 2.175 614 M HA -0.085 4.385 4.480 -0.017 0.000 0.264 614 M C 2.269 178.773 176.300 0.340 0.000 1.063 614 M CA 0.948 56.385 55.300 0.229 0.000 1.119 614 M CB 0.021 32.627 32.600 0.009 0.000 1.377 614 M HN -0.105 nan 8.290 nan 0.000 0.415 615 R N -0.076 120.599 120.500 0.292 0.000 2.066 615 R HA -0.117 4.213 4.340 -0.017 0.000 0.232 615 R C 1.929 178.191 176.300 -0.064 0.000 1.131 615 R CA 1.993 58.031 56.100 -0.103 0.000 0.955 615 R CB -0.329 29.508 30.300 -0.773 0.000 0.851 615 R HN 0.228 nan 8.270 nan 0.000 0.432 616 T N 2.034 116.577 114.554 -0.019 0.000 2.684 616 T HA -0.191 4.149 4.350 -0.017 0.000 0.267 616 T C 1.715 176.451 174.700 0.061 0.000 1.036 616 T CA 1.493 63.590 62.100 -0.005 0.000 1.148 616 T CB -0.332 68.539 68.868 0.005 0.000 0.863 616 T HN 0.190 nan 8.240 nan 0.000 0.436 617 L N 0.871 122.173 121.223 0.132 0.000 1.990 617 L HA -0.051 4.279 4.340 -0.017 0.000 0.213 617 L C 2.221 179.242 176.870 0.251 0.000 1.072 617 L CA 1.696 56.661 54.840 0.207 0.000 0.755 617 L CB -0.678 41.519 42.059 0.229 0.000 0.889 617 L HN 0.256 nan 8.230 nan 0.000 0.432 618 L N -1.132 120.244 121.223 0.254 0.000 2.083 618 L HA -0.224 4.106 4.340 -0.017 0.000 0.209 618 L C 2.628 179.624 176.870 0.211 0.000 1.083 618 L CA 1.378 56.378 54.840 0.267 0.000 0.752 618 L CB -0.546 41.734 42.059 0.368 0.000 0.899 618 L HN 0.403 nan 8.230 nan 0.000 0.433 619 Q N -0.301 119.602 119.800 0.173 0.000 2.230 619 Q HA -0.133 4.197 4.340 -0.017 0.000 0.202 619 Q C 1.627 177.616 176.000 -0.019 0.000 0.963 619 Q CA 1.027 56.882 55.803 0.086 0.000 0.866 619 Q CB -0.079 28.674 28.738 0.025 0.000 0.931 619 Q HN 0.603 nan 8.270 nan 0.000 0.452 620 N N -0.350 118.294 118.700 -0.094 0.000 2.515 620 N HA -0.056 4.674 4.740 -0.017 0.000 0.185 620 N C -0.355 174.737 175.510 -0.696 0.000 1.109 620 N CA 0.231 53.068 53.050 -0.355 0.000 0.903 620 N CB 0.362 38.605 38.487 -0.407 0.000 0.969 620 N HN 0.190 nan 8.380 nan 0.000 0.450 621 H N -0.235 118.869 119.070 0.056 0.000 2.538 621 H HA 0.276 4.822 4.556 -0.017 0.000 0.239 621 H C -2.398 172.957 175.328 0.046 0.000 1.401 621 H CA -1.444 54.633 56.048 0.047 0.000 1.499 621 H CB 0.761 30.553 29.762 0.049 0.000 1.624 621 H HN 0.072 nan 8.280 nan 0.000 0.524 622 P HA 0.046 nan 4.420 nan 0.000 0.276 622 P C 1.251 178.592 177.300 0.068 0.000 1.264 622 P CA 0.043 63.183 63.100 0.067 0.000 0.815 622 P CB 1.771 33.495 31.700 0.040 0.000 1.121 623 R N -0.432 120.093 120.500 0.042 0.000 2.102 623 R HA 0.242 4.571 4.340 -0.017 0.000 0.208 623 R C 1.633 177.949 176.300 0.027 0.000 1.131 623 R CA 0.820 56.940 56.100 0.033 0.000 1.054 623 R CB -0.483 29.828 30.300 0.017 0.000 0.954 623 R HN 0.448 nan 8.270 nan 0.000 0.465 624 A N 0.399 123.231 122.820 0.020 0.000 2.308 624 A HA 0.271 4.581 4.320 -0.017 0.000 0.217 624 A C -0.046 177.550 177.584 0.019 0.000 1.216 624 A CA 0.138 52.185 52.037 0.017 0.000 0.864 624 A CB 0.191 19.198 19.000 0.011 0.000 0.902 624 A HN 0.150 nan 8.150 nan 0.000 0.499 625 K N 0.000 120.415 120.400 0.025 0.000 2.780 625 K HA 0.000 4.310 4.320 -0.017 0.000 0.191 625 K CA 0.000 56.301 56.287 0.024 0.000 0.838 625 K CB 0.000 32.511 32.500 0.018 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543