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 2e91_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKMEAKIDEL INNDPVWSSQ NESLISKPYN HILLKPGKNF RLNLIVQINR DATA SEQUENCE VMNLPKDQLA IVSQIVELLH NSSLLIDDIE DNAPLRRGQT TSHLIFGVPS DATA SEQUENCE TINTANYMYF RAMQLVSQLT TKEPLYHNLI TIFNEELINL HRGQGLDIYW DATA SEQUENCE RDFLPEIIPT QEMYLNMVMN KTGGLFRLTL RLMEALSPSX XXXHSLVPFI DATA SEQUENCE NLLGIIYQIR DDYLNLKDFQ MSXXXGFAED ITEGKLSFPI VHALNFTKTK DATA SEQUENCE GQTEQHNEIL RILLLRTSDK DIKLKLIQIL EFDTNSLAYT KNFINQLVNM DATA SEQUENCE IKN 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 0.000 0.000 1.280 4 N CA 0.000 53.050 53.050 0.000 0.000 0.885 4 N CB 0.000 38.487 38.487 0.000 0.000 1.341 5 K N 1.710 122.110 120.400 0.000 0.000 2.148 5 K HA 0.158 4.478 4.320 0.000 0.000 0.204 5 K C 1.929 178.529 176.600 0.001 0.000 1.050 5 K CA 1.048 57.336 56.287 0.001 0.000 0.942 5 K CB -0.030 32.470 32.500 0.000 0.000 0.724 5 K HN 0.109 nan 8.250 nan 0.000 0.446 6 M N 0.664 120.264 119.600 0.001 0.000 2.098 6 M HA -0.145 4.336 4.480 0.000 0.000 0.262 6 M C 1.988 178.289 176.300 0.001 0.000 1.072 6 M CA 1.977 57.278 55.300 0.001 0.000 1.133 6 M CB -0.413 32.188 32.600 0.001 0.000 1.344 6 M HN 0.373 nan 8.290 nan 0.000 0.414 7 E N -0.032 120.169 120.200 0.001 0.000 2.160 7 E HA -0.182 4.169 4.350 0.000 0.000 0.195 7 E C 1.687 178.287 176.600 0.001 0.000 0.991 7 E CA 1.345 57.746 56.400 0.001 0.000 0.810 7 E CB -0.025 29.675 29.700 0.000 0.000 0.742 7 E HN 0.582 nan 8.360 nan 0.000 0.466 8 A N 1.163 123.983 122.820 0.001 0.000 1.872 8 A HA -0.155 4.165 4.320 0.000 0.000 0.214 8 A C 2.033 179.618 177.584 0.002 0.000 1.187 8 A CA 1.591 53.629 52.037 0.001 0.000 0.614 8 A CB -0.285 18.716 19.000 0.001 0.000 0.826 8 A HN 0.157 nan 8.150 nan 0.000 0.442 9 K N -0.309 120.092 120.400 0.002 0.000 2.057 9 K HA -0.051 4.269 4.320 0.000 0.000 0.207 9 K C 1.762 178.364 176.600 0.003 0.000 1.049 9 K CA 1.334 57.622 56.287 0.002 0.000 0.931 9 K CB -0.266 32.236 32.500 0.002 0.000 0.714 9 K HN 0.341 nan 8.250 nan 0.000 0.440 10 I N 1.806 122.378 120.570 0.002 0.000 2.226 10 I HA -0.257 3.913 4.170 0.000 0.000 0.245 10 I C 2.106 178.224 176.117 0.002 0.000 1.100 10 I CA 1.629 62.931 61.300 0.002 0.000 1.374 10 I CB -0.972 37.029 38.000 0.002 0.000 1.057 10 I HN 0.245 nan 8.210 nan 0.000 0.413 11 D N 0.728 121.129 120.400 0.002 0.000 2.104 11 D HA -0.265 4.376 4.640 0.000 0.000 0.194 11 D C 2.218 178.519 176.300 0.002 0.000 0.994 11 D CA 1.584 55.584 54.000 0.001 0.000 0.830 11 D CB -0.014 40.786 40.800 0.001 0.000 0.959 11 D HN 0.367 nan 8.370 nan 0.000 0.452 12 E N -0.758 119.444 120.200 0.003 0.000 2.077 12 E HA -0.198 4.152 4.350 0.000 0.000 0.193 12 E C 2.166 178.770 176.600 0.005 0.000 0.989 12 E CA 0.643 57.045 56.400 0.004 0.000 0.800 12 E CB -0.203 29.499 29.700 0.004 0.000 0.746 12 E HN 0.302 nan 8.360 nan 0.000 0.452 13 L N 1.645 122.871 121.223 0.006 0.000 1.970 13 L HA -0.197 4.143 4.340 0.000 0.000 0.212 13 L C 2.472 179.346 176.870 0.006 0.000 1.071 13 L CA 2.140 56.985 54.840 0.008 0.000 0.751 13 L CB -0.582 41.481 42.059 0.008 0.000 0.889 13 L HN 0.437 nan 8.230 nan 0.000 0.432 14 I N -3.150 117.422 120.570 0.003 0.000 2.916 14 I HA -0.113 4.057 4.170 0.000 0.000 0.267 14 I C 1.084 177.201 176.117 0.000 0.000 1.263 14 I CA 1.235 62.535 61.300 0.001 0.000 1.471 14 I CB -0.572 37.428 38.000 -0.001 0.000 1.089 14 I HN 0.316 nan 8.210 nan 0.000 0.468 15 N N 1.989 120.690 118.700 0.002 0.000 2.251 15 N HA 0.201 4.942 4.740 0.000 0.000 0.217 15 N C -0.579 174.932 175.510 0.002 0.000 1.124 15 N CA 0.055 53.105 53.050 0.001 0.000 0.843 15 N CB 0.217 38.705 38.487 0.001 0.000 1.024 15 N HN 0.500 nan 8.380 nan 0.000 0.501 16 N N 0.377 119.079 118.700 0.004 0.000 2.405 16 N HA 0.187 4.927 4.740 0.000 0.000 0.285 16 N C -1.032 174.483 175.510 0.009 0.000 1.262 16 N CA -0.485 52.570 53.050 0.008 0.000 0.773 16 N CB 1.901 40.395 38.487 0.011 0.000 1.490 16 N HN -0.083 nan 8.380 nan 0.000 0.486 17 D N 1.227 121.633 120.400 0.012 0.000 2.362 17 D HA 0.163 4.803 4.640 0.000 0.000 0.238 17 D C -1.840 174.474 176.300 0.023 0.000 1.212 17 D CA -0.243 53.765 54.000 0.012 0.000 0.902 17 D CB 0.170 40.981 40.800 0.018 0.000 1.180 17 D HN 0.254 nan 8.370 nan 0.000 0.445 18 P HA 0.073 nan 4.420 nan 0.000 0.275 18 P C -0.518 176.834 177.300 0.087 0.000 1.228 18 P CA -0.386 62.738 63.100 0.040 0.000 0.786 18 P CB 0.569 32.278 31.700 0.015 0.000 0.927 19 V N 4.034 124.010 119.914 0.103 0.000 2.470 19 V HA 0.121 4.241 4.120 0.000 0.000 0.276 19 V C 0.071 176.320 176.094 0.258 0.000 1.040 19 V CA -0.017 62.361 62.300 0.131 0.000 1.008 19 V CB 0.063 31.932 31.823 0.076 0.000 0.990 19 V HN 0.615 nan 8.190 nan 0.000 0.477 20 W N 5.397 126.690 121.300 -0.012 0.000 2.781 20 W HA 0.574 5.234 4.660 -0.000 0.000 0.333 20 W C -0.102 176.414 176.519 -0.006 0.000 1.047 20 W CA -0.711 56.625 57.345 -0.014 0.000 1.236 20 W CB 2.341 31.795 29.460 -0.010 0.000 1.394 20 W HN 0.645 nan 8.180 nan 0.000 0.466 21 S N 1.429 116.801 115.700 -0.546 0.000 2.681 21 S HA 0.311 4.781 4.470 0.000 0.000 0.299 21 S C 0.946 175.243 174.600 -0.505 0.000 1.113 21 S CA -0.088 57.874 58.200 -0.397 0.000 1.013 21 S CB 1.759 64.779 63.200 -0.301 0.000 1.076 21 S HN 0.490 nan 8.310 nan 0.000 0.534 22 S N 0.909 116.464 115.700 -0.242 0.000 2.423 22 S HA -0.162 4.308 4.470 0.000 0.000 0.231 22 S C 1.562 176.046 174.600 -0.193 0.000 1.014 22 S CA 0.880 58.985 58.200 -0.159 0.000 0.965 22 S CB -0.675 62.485 63.200 -0.067 0.000 0.785 22 S HN 0.704 nan 8.310 nan 0.000 0.495 23 Q N 1.985 121.651 119.800 -0.223 0.000 2.046 23 Q HA 0.059 4.399 4.340 0.000 0.000 0.200 23 Q C 2.122 177.947 176.000 -0.291 0.000 0.975 23 Q CA 1.472 57.157 55.803 -0.196 0.000 0.836 23 Q CB -0.458 28.179 28.738 -0.169 0.000 0.896 23 Q HN 0.500 nan 8.270 nan 0.000 0.428 24 N N 0.301 118.678 118.700 -0.539 0.000 2.069 24 N HA -0.200 4.540 4.740 0.000 0.000 0.191 24 N C 1.670 176.845 175.510 -0.559 0.000 1.031 24 N CA 1.390 53.936 53.050 -0.840 0.000 0.852 24 N CB -0.284 37.024 38.487 -1.964 0.000 1.018 24 N HN 0.235 nan 8.380 nan 0.000 0.423 25 E N 0.802 120.723 120.200 -0.464 0.000 2.058 25 E HA -0.055 4.295 4.350 0.000 0.000 0.194 25 E C 1.874 178.523 176.600 0.083 0.000 0.997 25 E CA 1.379 57.844 56.400 0.108 0.000 0.801 25 E CB -0.291 29.516 29.700 0.180 0.000 0.746 25 E HN 0.167 nan 8.360 nan 0.000 0.450 26 S N -0.011 115.680 115.700 -0.016 0.000 2.356 26 S HA -0.103 4.367 4.470 0.000 0.000 0.223 26 S C 1.922 176.518 174.600 -0.007 0.000 1.032 26 S CA 1.159 59.361 58.200 0.003 0.000 1.005 26 S CB -0.354 62.834 63.200 -0.020 0.000 0.867 26 S HN 0.269 nan 8.310 nan 0.000 0.449 27 L N 1.357 122.554 121.223 -0.043 0.000 2.079 27 L HA -0.099 4.241 4.340 0.000 0.000 0.210 27 L C 2.202 179.063 176.870 -0.015 0.000 1.081 27 L CA 1.311 56.130 54.840 -0.037 0.000 0.752 27 L CB -0.646 41.379 42.059 -0.057 0.000 0.896 27 L HN 0.461 nan 8.230 nan 0.000 0.433 28 I N -4.964 115.630 120.570 0.040 0.000 3.793 28 I HA 0.054 4.224 4.170 0.000 0.000 0.315 28 I C 1.530 177.686 176.117 0.066 0.000 1.275 28 I CA 0.315 61.648 61.300 0.055 0.000 1.214 28 I CB 0.174 38.236 38.000 0.103 0.000 1.018 28 I HN -0.038 nan 8.210 nan 0.000 0.439 29 S N 0.957 116.701 115.700 0.073 0.000 2.575 29 S HA 0.153 4.623 4.470 0.000 0.000 0.215 29 S C 1.618 176.224 174.600 0.009 0.000 0.966 29 S CA -0.085 58.176 58.200 0.103 0.000 0.911 29 S CB -0.047 63.231 63.200 0.129 0.000 0.780 29 S HN 0.440 nan 8.310 nan 0.000 0.514 30 K N 1.838 122.140 120.400 -0.163 0.000 2.044 30 K HA -0.127 4.193 4.320 0.000 0.000 0.210 30 K C -0.993 175.252 176.600 -0.592 0.000 1.049 30 K CA 1.603 57.626 56.287 -0.440 0.000 0.927 30 K CB -1.159 30.849 32.500 -0.820 0.000 0.713 30 K HN 0.263 nan 8.250 nan 0.000 0.443 31 P HA -0.178 nan 4.420 nan 0.000 0.216 31 P C 1.033 178.383 177.300 0.084 0.000 1.150 31 P CA 1.128 64.124 63.100 -0.174 0.000 0.837 31 P CB -0.012 31.696 31.700 0.013 0.000 0.786 32 Y N 0.542 120.830 120.300 -0.019 0.000 2.184 32 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 32 Y C 2.019 177.945 175.900 0.042 0.000 1.129 32 Y CA 1.435 59.551 58.100 0.026 0.000 1.144 32 Y CB -0.760 37.710 38.460 0.017 0.000 0.995 32 Y HN -0.158 nan 8.280 nan 0.000 0.513 33 N N -0.477 118.322 118.700 0.165 0.000 2.205 33 N HA -0.253 4.487 4.740 0.000 0.000 0.186 33 N C 1.916 177.449 175.510 0.037 0.000 1.015 33 N CA 1.567 54.674 53.050 0.095 0.000 0.862 33 N CB -0.722 37.830 38.487 0.109 0.000 0.986 33 N HN 0.580 nan 8.380 nan 0.000 0.429 34 H N 0.640 119.720 119.070 0.017 0.000 2.357 34 H HA 0.024 4.580 4.556 0.000 0.000 0.301 34 H C 2.034 177.363 175.328 0.002 0.000 1.082 34 H CA 0.860 56.958 56.048 0.083 0.000 1.342 34 H CB -0.133 29.794 29.762 0.275 0.000 1.389 34 H HN 0.173 nan 8.280 nan 0.000 0.511 35 I N 0.812 121.312 120.570 -0.118 0.000 3.001 35 I HA -0.172 3.998 4.170 0.000 0.000 0.268 35 I C 1.908 177.877 176.117 -0.247 0.000 1.267 35 I CA 0.309 61.488 61.300 -0.200 0.000 1.472 35 I CB -0.063 37.839 38.000 -0.163 0.000 1.089 35 I HN 0.238 nan 8.210 nan 0.000 0.468 36 L N 0.106 121.174 121.223 -0.259 0.000 2.201 36 L HA -0.180 4.160 4.340 0.000 0.000 0.212 36 L C 2.255 179.059 176.870 -0.110 0.000 1.105 36 L CA 0.923 55.655 54.840 -0.180 0.000 0.775 36 L CB -0.328 41.662 42.059 -0.116 0.000 0.913 36 L HN 0.323 nan 8.230 nan 0.000 0.440 37 L N -0.631 120.508 121.223 -0.140 0.000 2.275 37 L HA -0.113 4.227 4.340 0.000 0.000 0.215 37 L C 0.941 177.759 176.870 -0.087 0.000 1.119 37 L CA 0.558 55.333 54.840 -0.108 0.000 0.790 37 L CB -0.547 41.421 42.059 -0.152 0.000 0.919 37 L HN 0.127 nan 8.230 nan 0.000 0.443 38 K N 1.896 122.233 120.400 -0.105 0.000 2.401 38 K HA 0.181 4.501 4.320 0.000 0.000 0.278 38 K C -2.049 174.544 176.600 -0.012 0.000 1.018 38 K CA -1.278 54.976 56.287 -0.055 0.000 0.981 38 K CB -0.086 32.382 32.500 -0.052 0.000 0.933 38 K HN -0.007 nan 8.250 nan 0.000 0.477 39 P HA 0.288 nan 4.420 nan 0.000 0.282 39 P C 0.367 177.710 177.300 0.071 0.000 1.287 39 P CA -0.301 62.826 63.100 0.045 0.000 0.792 39 P CB 0.958 32.689 31.700 0.053 0.000 1.163 40 G N -0.563 108.310 108.800 0.121 0.000 2.318 40 G HA2 -0.190 3.770 3.960 0.000 0.000 0.172 40 G HA3 -0.190 3.770 3.960 0.000 0.000 0.172 40 G C 1.044 176.054 174.900 0.183 0.000 1.002 40 G CA 0.383 45.580 45.100 0.160 0.000 0.697 40 G HN 0.619 nan 8.290 nan 0.000 0.483 41 K N 0.786 121.263 120.400 0.127 0.000 2.009 41 K HA -0.131 4.189 4.320 0.000 0.000 0.210 41 K C 2.383 179.031 176.600 0.080 0.000 1.049 41 K CA 1.832 58.170 56.287 0.086 0.000 0.929 41 K CB -0.275 32.260 32.500 0.058 0.000 0.714 41 K HN 0.279 nan 8.250 nan 0.000 0.440 42 N N 0.316 119.059 118.700 0.072 0.000 2.060 42 N HA -0.211 4.530 4.740 0.000 0.000 0.195 42 N C 1.751 177.205 175.510 -0.094 0.000 1.028 42 N CA 1.684 54.711 53.050 -0.039 0.000 0.861 42 N CB -0.574 37.840 38.487 -0.121 0.000 1.029 42 N HN 0.175 nan 8.380 nan 0.000 0.428 43 F N 1.300 121.253 119.950 0.005 0.000 2.102 43 F HA -0.029 4.498 4.527 0.000 0.000 0.298 43 F C 2.513 178.302 175.800 -0.017 0.000 1.105 43 F CA 0.976 58.981 58.000 0.008 0.000 1.239 43 F CB -0.322 38.694 39.000 0.026 0.000 0.991 43 F HN -0.044 nan 8.300 nan 0.000 0.474 44 R N -0.311 120.261 120.500 0.120 0.000 2.127 44 R HA -0.175 4.165 4.340 0.000 0.000 0.238 44 R C 2.079 178.365 176.300 -0.023 0.000 1.134 44 R CA 1.141 57.229 56.100 -0.021 0.000 0.975 44 R CB -0.654 29.576 30.300 -0.116 0.000 0.865 44 R HN 0.246 nan 8.270 nan 0.000 0.447 45 L N 1.005 122.221 121.223 -0.012 0.000 2.179 45 L HA -0.075 4.265 4.340 0.000 0.000 0.208 45 L C 1.758 178.611 176.870 -0.029 0.000 1.096 45 L CA 1.621 56.447 54.840 -0.023 0.000 0.779 45 L CB -0.533 41.511 42.059 -0.026 0.000 0.922 45 L HN 0.045 nan 8.230 nan 0.000 0.443 46 N N -0.632 118.040 118.700 -0.046 0.000 2.120 46 N HA -0.228 4.512 4.740 0.000 0.000 0.188 46 N C 1.829 177.343 175.510 0.008 0.000 1.024 46 N CA 1.634 54.655 53.050 -0.048 0.000 0.852 46 N CB -0.332 38.089 38.487 -0.110 0.000 1.003 46 N HN 0.327 nan 8.380 nan 0.000 0.424 47 L N 0.686 121.932 121.223 0.037 0.000 1.989 47 L HA -0.051 4.289 4.340 0.000 0.000 0.211 47 L C 2.008 178.906 176.870 0.046 0.000 1.071 47 L CA 1.586 56.466 54.840 0.067 0.000 0.749 47 L CB -0.739 41.357 42.059 0.062 0.000 0.890 47 L HN 0.299 nan 8.230 nan 0.000 0.431 48 I N -1.542 119.037 120.570 0.014 0.000 2.208 48 I HA -0.305 3.865 4.170 0.000 0.000 0.245 48 I C 2.269 178.394 176.117 0.014 0.000 1.097 48 I CA 1.337 62.643 61.300 0.011 0.000 1.363 48 I CB -0.322 37.675 38.000 -0.006 0.000 1.051 48 I HN 0.139 nan 8.210 nan 0.000 0.413 49 V N -0.047 119.870 119.914 0.005 0.000 2.261 49 V HA -0.271 3.849 4.120 0.000 0.000 0.246 49 V C 2.478 178.577 176.094 0.007 0.000 1.047 49 V CA 1.575 63.876 62.300 0.001 0.000 1.015 49 V CB -0.787 31.029 31.823 -0.012 0.000 0.642 49 V HN 0.391 nan 8.190 nan 0.000 0.446 50 Q N -0.143 119.667 119.800 0.017 0.000 2.061 50 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 50 Q C 2.191 178.205 176.000 0.023 0.000 0.984 50 Q CA 1.933 57.749 55.803 0.022 0.000 0.846 50 Q CB -0.654 28.111 28.738 0.046 0.000 0.902 50 Q HN 0.645 nan 8.270 nan 0.000 0.421 51 I N 0.942 121.537 120.570 0.042 0.000 2.264 51 I HA -0.279 3.891 4.170 0.000 0.000 0.248 51 I C 2.211 178.340 176.117 0.020 0.000 1.111 51 I CA 0.973 62.298 61.300 0.042 0.000 1.382 51 I CB -0.373 37.667 38.000 0.067 0.000 1.060 51 I HN 0.324 nan 8.210 nan 0.000 0.418 52 N N 0.975 119.684 118.700 0.015 0.000 2.289 52 N HA -0.186 4.554 4.740 0.000 0.000 0.184 52 N C 1.936 177.446 175.510 -0.001 0.000 1.016 52 N CA 0.712 53.767 53.050 0.008 0.000 0.872 52 N CB 0.090 38.580 38.487 0.006 0.000 0.973 52 N HN 0.335 nan 8.380 nan 0.000 0.433 53 R N -0.067 120.430 120.500 -0.005 0.000 2.159 53 R HA -0.074 4.266 4.340 0.000 0.000 0.237 53 R C 1.969 178.257 176.300 -0.019 0.000 1.131 53 R CA 0.832 56.924 56.100 -0.012 0.000 0.982 53 R CB 0.023 30.314 30.300 -0.015 0.000 0.868 53 R HN 0.140 nan 8.270 nan 0.000 0.453 54 V N 0.065 119.967 119.914 -0.020 0.000 2.685 54 V HA -0.080 4.040 4.120 0.000 0.000 0.244 54 V C 1.950 178.034 176.094 -0.017 0.000 1.054 54 V CA 1.066 63.349 62.300 -0.029 0.000 1.076 54 V CB -0.008 31.791 31.823 -0.039 0.000 0.725 54 V HN 0.221 nan 8.190 nan 0.000 0.467 55 M N -0.547 119.051 119.600 -0.004 0.000 2.388 55 M HA 0.160 4.640 4.480 0.000 0.000 0.265 55 M C 0.627 176.928 176.300 0.002 0.000 1.088 55 M CA 0.424 55.725 55.300 0.003 0.000 1.134 55 M CB -1.008 31.600 32.600 0.014 0.000 1.384 55 M HN 0.394 nan 8.290 nan 0.000 0.447 56 N N 1.988 120.687 118.700 -0.001 0.000 2.714 56 N HA -0.150 4.590 4.740 0.000 0.000 0.253 56 N C -0.788 174.724 175.510 0.004 0.000 1.024 56 N CA 0.461 53.511 53.050 -0.001 0.000 0.726 56 N CB -1.679 36.806 38.487 -0.004 0.000 0.908 56 N HN 0.390 nan 8.380 nan 0.000 0.542 57 L N 0.661 121.888 121.223 0.007 0.000 2.395 57 L HA 0.392 4.732 4.340 0.000 0.000 0.269 57 L C -1.279 175.595 176.870 0.007 0.000 1.133 57 L CA -1.304 53.542 54.840 0.009 0.000 0.812 57 L CB 0.176 42.243 42.059 0.013 0.000 1.125 57 L HN -0.062 nan 8.230 nan 0.000 0.452 58 P HA 0.087 nan 4.420 nan 0.000 0.272 58 P C -0.071 177.232 177.300 0.006 0.000 1.223 58 P CA -0.369 62.734 63.100 0.006 0.000 0.784 58 P CB 0.858 32.562 31.700 0.006 0.000 0.923 59 K N 0.968 121.370 120.400 0.004 0.000 2.160 59 K HA -0.207 4.113 4.320 0.000 0.000 0.206 59 K C 1.364 177.967 176.600 0.006 0.000 1.047 59 K CA 1.867 58.157 56.287 0.004 0.000 0.930 59 K CB -0.365 32.136 32.500 0.002 0.000 0.720 59 K HN 0.438 nan 8.250 nan 0.000 0.450 60 D N 0.854 121.258 120.400 0.006 0.000 2.103 60 D HA -0.188 4.452 4.640 0.000 0.000 0.190 60 D C 2.047 178.353 176.300 0.011 0.000 0.997 60 D CA 1.337 55.341 54.000 0.008 0.000 0.833 60 D CB 0.022 40.827 40.800 0.007 0.000 0.961 60 D HN 0.169 nan 8.370 nan 0.000 0.447 61 Q N -0.668 119.139 119.800 0.012 0.000 2.119 61 Q HA -0.099 4.241 4.340 0.000 0.000 0.201 61 Q C 2.140 178.150 176.000 0.017 0.000 0.972 61 Q CA 0.512 56.325 55.803 0.016 0.000 0.847 61 Q CB -0.085 28.664 28.738 0.018 0.000 0.903 61 Q HN 0.213 nan 8.270 nan 0.000 0.433 62 L N 0.290 121.521 121.223 0.014 0.000 2.083 62 L HA -0.145 4.195 4.340 0.000 0.000 0.209 62 L C 2.129 179.007 176.870 0.013 0.000 1.083 62 L CA 1.878 56.725 54.840 0.013 0.000 0.752 62 L CB -0.531 41.533 42.059 0.009 0.000 0.899 62 L HN 0.190 nan 8.230 nan 0.000 0.433 63 A N -0.402 122.425 122.820 0.012 0.000 1.902 63 A HA -0.188 4.132 4.320 0.000 0.000 0.217 63 A C 2.226 179.821 177.584 0.018 0.000 1.181 63 A CA 2.104 54.149 52.037 0.014 0.000 0.623 63 A CB -0.812 18.195 19.000 0.012 0.000 0.818 63 A HN 0.501 nan 8.150 nan 0.000 0.443 64 I N -0.699 119.883 120.570 0.019 0.000 2.439 64 I HA -0.145 4.026 4.170 0.000 0.000 0.251 64 I C 2.232 178.366 176.117 0.029 0.000 1.139 64 I CA 0.591 61.905 61.300 0.023 0.000 1.438 64 I CB -0.239 37.773 38.000 0.021 0.000 1.085 64 I HN 0.125 nan 8.210 nan 0.000 0.427 65 V N 0.017 119.948 119.914 0.028 0.000 2.343 65 V HA -0.305 3.815 4.120 0.000 0.000 0.247 65 V C 2.612 178.723 176.094 0.029 0.000 1.051 65 V CA 2.249 64.568 62.300 0.032 0.000 1.036 65 V CB -0.497 31.343 31.823 0.027 0.000 0.654 65 V HN 0.416 nan 8.190 nan 0.000 0.451 66 S N -1.032 114.680 115.700 0.021 0.000 2.382 66 S HA -0.257 4.213 4.470 0.000 0.000 0.228 66 S C 2.028 176.648 174.600 0.033 0.000 1.027 66 S CA 1.793 60.004 58.200 0.017 0.000 0.991 66 S CB -0.176 63.031 63.200 0.012 0.000 0.823 66 S HN 0.706 nan 8.310 nan 0.000 0.469 67 Q N 0.103 119.925 119.800 0.038 0.000 2.124 67 Q HA -0.016 4.324 4.340 0.000 0.000 0.202 67 Q C 2.109 178.146 176.000 0.062 0.000 0.977 67 Q CA 1.528 57.361 55.803 0.049 0.000 0.850 67 Q CB -0.224 28.535 28.738 0.036 0.000 0.901 67 Q HN 0.567 nan 8.270 nan 0.000 0.429 68 I N -0.308 120.300 120.570 0.063 0.000 2.202 68 I HA -0.247 3.923 4.170 0.000 0.000 0.242 68 I C 2.140 178.318 176.117 0.101 0.000 1.091 68 I CA 0.784 62.140 61.300 0.094 0.000 1.368 68 I CB -0.167 37.900 38.000 0.112 0.000 1.058 68 I HN 0.037 nan 8.210 nan 0.000 0.410 69 V N 0.563 120.515 119.914 0.064 0.000 2.343 69 V HA -0.231 3.889 4.120 0.000 0.000 0.247 69 V C 2.502 178.636 176.094 0.067 0.000 1.051 69 V CA 1.672 63.991 62.300 0.031 0.000 1.036 69 V CB -0.561 31.247 31.823 -0.026 0.000 0.654 69 V HN 0.388 nan 8.190 nan 0.000 0.451 70 E N -0.024 120.227 120.200 0.084 0.000 2.077 70 E HA -0.155 4.195 4.350 0.000 0.000 0.193 70 E C 2.220 178.952 176.600 0.219 0.000 0.989 70 E CA 1.101 57.585 56.400 0.140 0.000 0.800 70 E CB -0.362 29.413 29.700 0.125 0.000 0.746 70 E HN 0.502 nan 8.360 nan 0.000 0.452 71 L N 0.419 121.759 121.223 0.195 0.000 2.017 71 L HA -0.186 4.154 4.340 0.000 0.000 0.208 71 L C 2.602 179.601 176.870 0.216 0.000 1.073 71 L CA 0.953 55.914 54.840 0.202 0.000 0.745 71 L CB -0.432 41.662 42.059 0.059 0.000 0.894 71 L HN 0.112 nan 8.230 nan 0.000 0.432 72 L N -1.321 120.019 121.223 0.195 0.000 2.056 72 L HA -0.250 4.090 4.340 0.000 0.000 0.207 72 L C 2.662 179.658 176.870 0.209 0.000 1.078 72 L CA 1.187 56.160 54.840 0.221 0.000 0.749 72 L CB -0.726 41.386 42.059 0.088 0.000 0.901 72 L HN 0.332 nan 8.230 nan 0.000 0.433 73 H N 0.600 119.704 119.070 0.058 0.000 2.299 73 H HA -0.119 4.437 4.556 0.000 0.000 0.302 73 H C 2.157 177.510 175.328 0.041 0.000 1.078 73 H CA 1.854 57.910 56.048 0.012 0.000 1.323 73 H CB 0.077 29.816 29.762 -0.038 0.000 1.381 73 H HN 0.188 nan 8.280 nan 0.000 0.498 74 N N -0.215 118.514 118.700 0.048 0.000 2.188 74 N HA -0.107 4.633 4.740 0.000 0.000 0.184 74 N C 2.037 177.535 175.510 -0.019 0.000 1.018 74 N CA 1.245 54.252 53.050 -0.071 0.000 0.858 74 N CB -0.285 38.130 38.487 -0.122 0.000 0.989 74 N HN 0.283 nan 8.380 nan 0.000 0.426 75 S N 0.595 116.349 115.700 0.090 0.000 2.355 75 S HA -0.107 4.363 4.470 0.000 0.000 0.222 75 S C 2.210 176.742 174.600 -0.113 0.000 1.031 75 S CA 1.393 59.555 58.200 -0.064 0.000 0.993 75 S CB -0.288 62.713 63.200 -0.331 0.000 0.859 75 S HN 0.597 nan 8.310 nan 0.000 0.453 76 S N 1.862 117.576 115.700 0.025 0.000 2.399 76 S HA 0.038 4.508 4.470 0.000 0.000 0.231 76 S C 1.787 176.363 174.600 -0.041 0.000 1.022 76 S CA 0.756 58.993 58.200 0.062 0.000 0.983 76 S CB -0.631 62.613 63.200 0.072 0.000 0.803 76 S HN 0.430 nan 8.310 nan 0.000 0.480 77 L N 0.473 121.624 121.223 -0.120 0.000 2.109 77 L HA 0.077 4.417 4.340 0.000 0.000 0.207 77 L C 2.619 179.469 176.870 -0.034 0.000 1.086 77 L CA 0.758 55.529 54.840 -0.114 0.000 0.760 77 L CB -0.632 41.301 42.059 -0.210 0.000 0.910 77 L HN 0.306 nan 8.230 nan 0.000 0.437 78 L N -0.259 120.951 121.223 -0.023 0.000 2.012 78 L HA -0.263 4.077 4.340 0.000 0.000 0.210 78 L C 2.589 179.478 176.870 0.030 0.000 1.073 78 L CA 1.254 56.116 54.840 0.037 0.000 0.748 78 L CB -0.427 41.660 42.059 0.047 0.000 0.891 78 L HN 0.236 nan 8.230 nan 0.000 0.431 79 I N -0.158 120.411 120.570 -0.001 0.000 2.252 79 I HA -0.287 3.883 4.170 0.000 0.000 0.245 79 I C 2.215 178.324 176.117 -0.014 0.000 1.102 79 I CA 1.705 63.006 61.300 0.001 0.000 1.385 79 I CB -1.065 36.957 38.000 0.036 0.000 1.064 79 I HN 0.346 nan 8.210 nan 0.000 0.414 80 D N 1.262 121.656 120.400 -0.009 0.000 2.133 80 D HA -0.240 4.401 4.640 0.000 0.000 0.195 80 D C 1.624 177.917 176.300 -0.012 0.000 0.997 80 D CA 1.471 55.465 54.000 -0.010 0.000 0.840 80 D CB 0.118 40.915 40.800 -0.006 0.000 0.947 80 D HN 0.194 nan 8.370 nan 0.000 0.452 81 D N -0.552 119.852 120.400 0.006 0.000 2.224 81 D HA -0.061 4.579 4.640 0.000 0.000 0.205 81 D C 2.091 178.293 176.300 -0.164 0.000 0.965 81 D CA 0.420 54.443 54.000 0.038 0.000 0.852 81 D CB -0.034 40.872 40.800 0.177 0.000 0.947 81 D HN 0.404 nan 8.370 nan 0.000 0.494 82 I N 0.912 121.314 120.570 -0.280 0.000 2.233 82 I HA -0.181 3.989 4.170 0.000 0.000 0.243 82 I C 2.179 178.148 176.117 -0.247 0.000 1.093 82 I CA 0.935 61.928 61.300 -0.512 0.000 1.380 82 I CB -0.038 37.797 38.000 -0.275 0.000 1.067 82 I HN -0.098 nan 8.210 nan 0.000 0.413 83 E N 0.569 120.696 120.200 -0.121 0.000 2.153 83 E HA -0.223 4.127 4.350 0.000 0.000 0.194 83 E C 0.881 177.452 176.600 -0.050 0.000 0.988 83 E CA 1.199 57.562 56.400 -0.063 0.000 0.811 83 E CB -0.017 29.668 29.700 -0.026 0.000 0.746 83 E HN 0.452 nan 8.360 nan 0.000 0.466 84 D N -0.217 120.158 120.400 -0.041 0.000 2.349 84 D HA -0.001 4.639 4.640 0.000 0.000 0.214 84 D C -0.111 176.186 176.300 -0.006 0.000 1.063 84 D CA 0.039 54.033 54.000 -0.010 0.000 0.847 84 D CB -0.200 40.611 40.800 0.018 0.000 0.933 84 D HN 0.130 nan 8.370 nan 0.000 0.513 85 N N 0.157 118.835 118.700 -0.036 0.000 2.727 85 N HA -0.232 4.508 4.740 0.000 0.000 0.249 85 N C -0.549 175.017 175.510 0.093 0.000 1.048 85 N CA 0.065 53.122 53.050 0.011 0.000 0.714 85 N CB -0.528 37.961 38.487 0.003 0.000 0.959 85 N HN 0.172 nan 8.380 nan 0.000 0.544 86 A N 0.817 123.722 122.820 0.142 0.000 2.366 86 A HA 0.377 4.697 4.320 0.000 0.000 0.272 86 A C -0.907 176.776 177.584 0.165 0.000 1.135 86 A CA -1.013 51.113 52.037 0.149 0.000 0.804 86 A CB 0.639 19.721 19.000 0.136 0.000 1.064 86 A HN 0.309 nan 8.150 nan 0.000 0.499 87 P HA 0.105 nan 4.420 nan 0.000 0.226 87 P C -0.044 177.250 177.300 -0.010 0.000 1.161 87 P CA 0.731 63.823 63.100 -0.013 0.000 0.804 87 P CB 0.293 31.962 31.700 -0.053 0.000 0.829 88 L N -0.620 120.630 121.223 0.045 0.000 2.388 88 L HA 0.618 4.958 4.340 0.000 0.000 0.264 88 L C -0.132 176.799 176.870 0.101 0.000 0.998 88 L CA -1.091 53.794 54.840 0.076 0.000 0.817 88 L CB 2.660 44.793 42.059 0.123 0.000 1.338 88 L HN -0.264 nan 8.230 nan 0.000 0.414 89 R N 2.033 122.589 120.500 0.093 0.000 2.531 89 R HA 0.513 4.853 4.340 0.000 0.000 0.293 89 R C -1.118 175.218 176.300 0.060 0.000 1.124 89 R CA -0.713 55.435 56.100 0.080 0.000 0.945 89 R CB 0.825 31.169 30.300 0.073 0.000 1.195 89 R HN 0.474 nan 8.270 nan 0.000 0.433 90 R N 3.622 124.158 120.500 0.059 0.000 3.144 90 R HA -0.119 4.221 4.340 0.000 0.000 0.255 90 R C 0.807 177.134 176.300 0.045 0.000 0.949 90 R CA 1.088 57.212 56.100 0.040 0.000 0.649 90 R CB -2.048 28.264 30.300 0.020 0.000 1.229 90 R HN 1.283 nan 8.270 nan 0.000 0.440 91 G N -0.827 108.017 108.800 0.074 0.000 2.280 91 G HA2 -0.392 3.568 3.960 0.000 0.000 0.282 91 G HA3 -0.392 3.568 3.960 0.000 0.000 0.282 91 G C 0.057 175.002 174.900 0.075 0.000 1.000 91 G CA 1.082 46.235 45.100 0.089 0.000 0.751 91 G HN 0.593 nan 8.290 nan 0.000 0.515 92 Q N -0.618 119.224 119.800 0.069 0.000 2.413 92 Q HA 0.665 5.005 4.340 0.000 0.000 0.276 92 Q C 0.250 176.306 176.000 0.094 0.000 1.099 92 Q CA -0.304 55.542 55.803 0.072 0.000 0.814 92 Q CB 1.213 29.972 28.738 0.035 0.000 1.379 92 Q HN 0.131 nan 8.270 nan 0.000 0.436 93 T N 2.336 116.944 114.554 0.090 0.000 2.928 93 T HA 0.145 4.495 4.350 0.000 0.000 0.305 93 T C -0.292 174.451 174.700 0.071 0.000 1.035 93 T CA 0.222 62.336 62.100 0.024 0.000 1.145 93 T CB 0.164 68.997 68.868 -0.058 0.000 0.963 93 T HN 0.609 nan 8.240 nan 0.000 0.545 94 T N 3.790 118.321 114.554 -0.038 0.000 2.928 94 T HA 0.009 4.359 4.350 0.000 0.000 0.305 94 T C 1.729 176.347 174.700 -0.136 0.000 1.035 94 T CA -0.277 61.796 62.100 -0.045 0.000 1.145 94 T CB 0.633 69.410 68.868 -0.150 0.000 0.963 94 T HN 0.612 nan 8.240 nan 0.000 0.545 95 S N 2.083 117.829 115.700 0.076 0.000 2.380 95 S HA -0.236 4.234 4.470 0.000 0.000 0.229 95 S C 1.903 176.526 174.600 0.038 0.000 1.043 95 S CA 2.136 60.391 58.200 0.092 0.000 1.038 95 S CB -0.503 62.889 63.200 0.320 0.000 0.872 95 S HN 1.012 nan 8.310 nan 0.000 0.456 96 H N 0.395 119.502 119.070 0.063 0.000 2.456 96 H HA 0.116 4.671 4.556 -0.000 0.000 0.296 96 H C 1.704 177.017 175.328 -0.025 0.000 1.079 96 H CA 1.165 57.239 56.048 0.044 0.000 1.322 96 H CB -0.493 29.293 29.762 0.041 0.000 1.388 96 H HN 0.322 nan 8.280 nan 0.000 0.538 97 L N -0.128 120.770 121.223 -0.541 0.000 2.376 97 L HA 0.023 4.363 4.340 0.000 0.000 0.219 97 L C 1.884 178.568 176.870 -0.309 0.000 1.133 97 L CA 0.614 55.242 54.840 -0.354 0.000 0.816 97 L CB -0.125 41.712 42.059 -0.371 0.000 0.933 97 L HN 0.381 nan 8.230 nan 0.000 0.449 98 I N -1.546 118.764 120.570 -0.433 0.000 2.499 98 I HA -0.111 4.060 4.170 0.000 0.000 0.243 98 I C 1.628 177.346 176.117 -0.665 0.000 1.085 98 I CA 1.014 61.917 61.300 -0.662 0.000 1.422 98 I CB -0.002 37.322 38.000 -1.127 0.000 1.165 98 I HN 0.025 nan 8.210 nan 0.000 0.440 99 F N 1.146 121.042 119.950 -0.089 0.000 2.776 99 F HA 0.405 4.932 4.527 0.000 0.000 0.300 99 F C 1.166 176.966 175.800 0.000 0.000 1.116 99 F CA 0.241 58.221 58.000 -0.033 0.000 1.375 99 F CB -0.049 38.943 39.000 -0.014 0.000 1.109 99 F HN 0.124 nan 8.300 nan 0.000 0.585 100 G N 0.240 109.103 108.800 0.104 0.000 2.692 100 G HA2 -0.163 3.797 3.960 0.000 0.000 0.686 100 G HA3 -0.163 3.797 3.960 0.000 0.000 0.686 100 G C 0.323 175.316 174.900 0.156 0.000 1.243 100 G CA -0.604 44.561 45.100 0.108 0.000 0.782 100 G HN -0.108 nan 8.290 nan 0.000 0.625 101 V N 2.359 122.355 119.914 0.137 0.000 2.343 101 V HA -0.118 4.003 4.120 0.000 0.000 0.247 101 V C 0.647 176.797 176.094 0.093 0.000 1.051 101 V CA 2.957 65.327 62.300 0.117 0.000 1.036 101 V CB -1.033 30.831 31.823 0.067 0.000 0.654 101 V HN 0.682 nan 8.190 nan 0.000 0.451 102 P HA -0.103 nan 4.420 nan 0.000 0.215 102 P C 1.976 179.322 177.300 0.078 0.000 1.157 102 P CA 1.726 64.867 63.100 0.069 0.000 0.868 102 P CB -0.081 31.654 31.700 0.058 0.000 0.788 103 S N -1.350 114.408 115.700 0.097 0.000 2.406 103 S HA -0.092 4.378 4.470 0.000 0.000 0.228 103 S C 1.876 176.535 174.600 0.099 0.000 1.020 103 S CA 1.621 59.876 58.200 0.092 0.000 0.965 103 S CB -1.236 62.029 63.200 0.108 0.000 0.798 103 S HN 0.265 nan 8.310 nan 0.000 0.488 104 T N 2.583 117.217 114.554 0.134 0.000 2.737 104 T HA 0.084 4.434 4.350 0.000 0.000 0.265 104 T C 1.744 176.500 174.700 0.094 0.000 1.038 104 T CA 0.891 63.073 62.100 0.138 0.000 1.144 104 T CB -0.316 68.669 68.868 0.195 0.000 0.866 104 T HN 0.289 nan 8.240 nan 0.000 0.434 105 I N 1.570 122.188 120.570 0.080 0.000 2.127 105 I HA -0.222 3.948 4.170 0.000 0.000 0.241 105 I C 2.610 178.769 176.117 0.069 0.000 1.075 105 I CA 1.428 62.766 61.300 0.063 0.000 1.334 105 I CB -0.449 37.589 38.000 0.062 0.000 1.040 105 I HN 0.243 nan 8.210 nan 0.000 0.405 106 N N 0.414 119.158 118.700 0.073 0.000 2.104 106 N HA -0.181 4.559 4.740 0.000 0.000 0.190 106 N C 1.697 177.270 175.510 0.105 0.000 1.024 106 N CA 2.176 55.272 53.050 0.078 0.000 0.853 106 N CB -0.076 38.439 38.487 0.047 0.000 1.008 106 N HN 0.198 nan 8.380 nan 0.000 0.424 107 T N -0.349 114.265 114.554 0.100 0.000 2.777 107 T HA -0.024 4.326 4.350 0.000 0.000 0.266 107 T C 1.849 176.620 174.700 0.118 0.000 1.040 107 T CA 1.232 63.420 62.100 0.148 0.000 1.141 107 T CB -0.619 68.324 68.868 0.125 0.000 0.868 107 T HN 0.431 nan 8.240 nan 0.000 0.444 108 A N 2.133 124.976 122.820 0.039 0.000 1.883 108 A HA -0.189 4.132 4.320 0.000 0.000 0.217 108 A C 2.154 179.548 177.584 -0.316 0.000 1.186 108 A CA 1.977 53.943 52.037 -0.119 0.000 0.624 108 A CB -0.950 17.965 19.000 -0.141 0.000 0.822 108 A HN 0.617 nan 8.150 nan 0.000 0.444 109 N N -1.989 116.639 118.700 -0.121 0.000 2.166 109 N HA -0.196 4.544 4.740 0.000 0.000 0.186 109 N C 1.768 177.431 175.510 0.255 0.000 1.019 109 N CA 1.416 54.493 53.050 0.044 0.000 0.856 109 N CB -0.294 38.338 38.487 0.241 0.000 0.993 109 N HN 0.609 nan 8.380 nan 0.000 0.426 110 Y N 1.712 122.079 120.300 0.112 0.000 2.165 110 Y HA -0.150 4.400 4.550 0.000 0.000 0.286 110 Y C 2.080 178.030 175.900 0.084 0.000 1.155 110 Y CA 1.383 59.569 58.100 0.144 0.000 1.164 110 Y CB -0.192 38.286 38.460 0.031 0.000 0.978 110 Y HN 0.037 nan 8.280 nan 0.000 0.513 111 M N -1.148 118.361 119.600 -0.152 0.000 2.296 111 M HA -0.199 4.281 4.480 0.000 0.000 0.265 111 M C 2.014 178.241 176.300 -0.122 0.000 1.064 111 M CA 1.157 56.268 55.300 -0.315 0.000 1.109 111 M CB -1.605 30.764 32.600 -0.386 0.000 1.396 111 M HN 0.440 nan 8.290 nan 0.000 0.430 112 Y N -0.902 119.319 120.300 -0.133 0.000 2.181 112 Y HA -0.237 4.313 4.550 0.000 0.000 0.288 112 Y C 2.170 177.920 175.900 -0.249 0.000 1.146 112 Y CA 0.813 58.789 58.100 -0.206 0.000 1.164 112 Y CB -0.452 37.768 38.460 -0.400 0.000 0.982 112 Y HN 0.057 nan 8.280 nan 0.000 0.515 113 F N -0.564 119.492 119.950 0.176 0.000 2.407 113 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 113 F C 2.188 177.948 175.800 -0.066 0.000 1.097 113 F CA 0.573 58.610 58.000 0.061 0.000 1.422 113 F CB -0.098 38.939 39.000 0.061 0.000 1.067 113 F HN -0.094 nan 8.300 nan 0.000 0.539 114 R N 0.268 120.731 120.500 -0.062 0.000 2.093 114 R HA 0.033 4.373 4.340 0.000 0.000 0.224 114 R C 2.398 178.651 176.300 -0.078 0.000 1.101 114 R CA 1.095 57.097 56.100 -0.163 0.000 0.979 114 R CB -1.110 28.971 30.300 -0.364 0.000 0.877 114 R HN 0.285 nan 8.270 nan 0.000 0.441 115 A N 1.637 124.449 122.820 -0.014 0.000 1.877 115 A HA -0.169 4.151 4.320 0.000 0.000 0.216 115 A C 2.258 179.824 177.584 -0.029 0.000 1.186 115 A CA 1.552 53.629 52.037 0.067 0.000 0.620 115 A CB -0.526 18.610 19.000 0.227 0.000 0.822 115 A HN 0.296 nan 8.150 nan 0.000 0.443 116 M N -0.784 118.738 119.600 -0.130 0.000 2.106 116 M HA -0.291 4.189 4.480 0.000 0.000 0.259 116 M C 2.337 178.450 176.300 -0.311 0.000 1.068 116 M CA 2.445 57.370 55.300 -0.624 0.000 1.100 116 M CB -0.246 32.125 32.600 -0.383 0.000 1.351 116 M HN 0.624 nan 8.290 nan 0.000 0.404 117 Q N 0.262 119.990 119.800 -0.121 0.000 2.124 117 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 117 Q C 1.934 177.902 176.000 -0.053 0.000 0.977 117 Q CA 1.442 57.209 55.803 -0.061 0.000 0.850 117 Q CB -0.158 28.559 28.738 -0.034 0.000 0.901 117 Q HN 0.642 nan 8.270 nan 0.000 0.429 118 L N -0.221 120.968 121.223 -0.056 0.000 2.191 118 L HA -0.158 4.182 4.340 0.000 0.000 0.212 118 L C 2.256 179.119 176.870 -0.012 0.000 1.103 118 L CA 0.372 55.196 54.840 -0.027 0.000 0.769 118 L CB -0.309 41.743 42.059 -0.011 0.000 0.908 118 L HN 0.152 nan 8.230 nan 0.000 0.438 119 V N 0.023 119.909 119.914 -0.047 0.000 2.324 119 V HA -0.317 3.803 4.120 0.000 0.000 0.250 119 V C 2.514 178.685 176.094 0.129 0.000 1.060 119 V CA 2.154 64.452 62.300 -0.002 0.000 1.042 119 V CB -0.740 31.008 31.823 -0.124 0.000 0.650 119 V HN 0.678 nan 8.190 nan 0.000 0.450 120 S N -0.867 114.923 115.700 0.150 0.000 2.595 120 S HA -0.138 4.332 4.470 0.000 0.000 0.235 120 S C 1.505 176.096 174.600 -0.015 0.000 0.974 120 S CA 0.925 59.160 58.200 0.058 0.000 0.942 120 S CB -0.352 62.750 63.200 -0.162 0.000 0.766 120 S HN 0.741 nan 8.310 nan 0.000 0.536 121 Q N -0.211 119.597 119.800 0.013 0.000 2.282 121 Q HA 0.384 4.724 4.340 0.000 0.000 0.206 121 Q C 1.302 177.313 176.000 0.018 0.000 0.878 121 Q CA -0.059 55.744 55.803 0.000 0.000 0.944 121 Q CB 0.098 28.836 28.738 -0.001 0.000 1.100 121 Q HN 0.569 nan 8.270 nan 0.000 0.509 122 L N -0.149 121.100 121.223 0.043 0.000 2.375 122 L HA 0.093 4.433 4.340 0.000 0.000 0.215 122 L C 0.806 177.705 176.870 0.048 0.000 1.108 122 L CA 0.706 55.575 54.840 0.048 0.000 0.830 122 L CB 0.363 42.459 42.059 0.063 0.000 0.959 122 L HN 0.169 nan 8.230 nan 0.000 0.457 123 T N -6.325 108.261 114.554 0.054 0.000 2.786 123 T HA 0.194 4.544 4.350 0.000 0.000 0.316 123 T C 0.223 174.931 174.700 0.013 0.000 1.503 123 T CA -0.023 62.104 62.100 0.044 0.000 1.019 123 T CB 1.591 70.503 68.868 0.073 0.000 1.415 123 T HN -0.037 nan 8.240 nan 0.000 0.496 124 T N -2.364 112.190 114.554 0.000 0.000 3.044 124 T HA 0.346 4.696 4.350 0.000 0.000 0.260 124 T C 0.238 174.930 174.700 -0.012 0.000 1.019 124 T CA -0.332 61.748 62.100 -0.032 0.000 0.921 124 T CB -0.217 68.634 68.868 -0.029 0.000 1.053 124 T HN 0.614 nan 8.240 nan 0.000 0.533 125 K N 2.316 122.731 120.400 0.026 0.000 2.310 125 K HA 0.226 4.546 4.320 0.000 0.000 0.290 125 K C 0.861 177.513 176.600 0.087 0.000 1.077 125 K CA -0.444 55.870 56.287 0.044 0.000 0.922 125 K CB 0.900 33.428 32.500 0.047 0.000 1.057 125 K HN 0.069 nan 8.250 nan 0.000 0.479 126 E N 2.587 122.833 120.200 0.077 0.000 2.130 126 E HA -0.182 4.168 4.350 0.000 0.000 0.196 126 E C -1.004 175.702 176.600 0.178 0.000 0.998 126 E CA 1.575 58.054 56.400 0.131 0.000 0.806 126 E CB -1.034 28.719 29.700 0.088 0.000 0.738 126 E HN 0.528 nan 8.360 nan 0.000 0.459 127 P HA -0.121 nan 4.420 nan 0.000 0.214 127 P C 1.805 179.174 177.300 0.115 0.000 1.162 127 P CA 0.662 63.814 63.100 0.088 0.000 0.879 127 P CB -0.076 31.650 31.700 0.044 0.000 0.786 128 L N -1.303 119.984 121.223 0.107 0.000 1.989 128 L HA -0.200 4.140 4.340 0.000 0.000 0.211 128 L C 2.398 179.340 176.870 0.119 0.000 1.071 128 L CA 1.842 56.740 54.840 0.098 0.000 0.749 128 L CB -1.735 40.376 42.059 0.086 0.000 0.890 128 L HN -0.070 nan 8.230 nan 0.000 0.431 129 Y N -0.376 119.952 120.300 0.046 0.000 2.102 129 Y HA -0.364 4.186 4.550 0.000 0.000 0.280 129 Y C 2.874 178.798 175.900 0.040 0.000 1.178 129 Y CA 2.421 60.536 58.100 0.026 0.000 1.146 129 Y CB -0.779 37.688 38.460 0.012 0.000 0.968 129 Y HN 0.476 nan 8.280 nan 0.000 0.504 130 H N 0.303 119.322 119.070 -0.085 0.000 2.387 130 H HA -0.149 4.407 4.556 0.000 0.000 0.299 130 H C 1.615 176.851 175.328 -0.152 0.000 1.099 130 H CA 1.939 57.896 56.048 -0.152 0.000 1.315 130 H CB -0.152 29.601 29.762 -0.014 0.000 1.380 130 H HN 0.413 nan 8.280 nan 0.000 0.513 131 N N 0.533 119.294 118.700 0.103 0.000 2.216 131 N HA -0.076 4.664 4.740 0.000 0.000 0.183 131 N C 2.425 177.919 175.510 -0.026 0.000 1.017 131 N CA 0.565 53.656 53.050 0.068 0.000 0.861 131 N CB -0.354 38.169 38.487 0.060 0.000 0.986 131 N HN 0.355 nan 8.380 nan 0.000 0.428 132 L N 0.560 121.736 121.223 -0.080 0.000 2.046 132 L HA -0.084 4.256 4.340 0.000 0.000 0.208 132 L C 1.992 178.776 176.870 -0.143 0.000 1.077 132 L CA 0.770 55.559 54.840 -0.085 0.000 0.747 132 L CB -0.332 41.681 42.059 -0.076 0.000 0.896 132 L HN 0.111 nan 8.230 nan 0.000 0.432 133 I N -0.251 120.103 120.570 -0.359 0.000 2.394 133 I HA -0.209 3.961 4.170 0.000 0.000 0.251 133 I C 2.477 178.503 176.117 -0.152 0.000 1.136 133 I CA 1.510 62.591 61.300 -0.364 0.000 1.425 133 I CB -1.143 36.469 38.000 -0.648 0.000 1.079 133 I HN 0.281 nan 8.210 nan 0.000 0.425 134 T N 1.245 115.709 114.554 -0.150 0.000 2.777 134 T HA -0.052 4.298 4.350 0.000 0.000 0.266 134 T C 2.068 176.772 174.700 0.006 0.000 1.040 134 T CA 1.025 63.091 62.100 -0.056 0.000 1.141 134 T CB -0.104 68.765 68.868 0.002 0.000 0.868 134 T HN 0.187 nan 8.240 nan 0.000 0.444 135 I N 0.395 120.976 120.570 0.018 0.000 2.179 135 I HA -0.139 4.031 4.170 0.000 0.000 0.242 135 I C 2.065 178.206 176.117 0.040 0.000 1.088 135 I CA 1.361 62.678 61.300 0.029 0.000 1.357 135 I CB -0.345 37.676 38.000 0.035 0.000 1.051 135 I HN 0.170 nan 8.210 nan 0.000 0.409 136 F N 1.815 121.713 119.950 -0.087 0.000 2.095 136 F HA -0.336 4.191 4.527 0.000 0.000 0.298 136 F C 2.421 178.159 175.800 -0.103 0.000 1.104 136 F CA 2.103 60.046 58.000 -0.095 0.000 1.232 136 F CB -0.354 38.580 39.000 -0.110 0.000 0.987 136 F HN 0.081 nan 8.300 nan 0.000 0.475 137 N N 0.632 119.436 118.700 0.173 0.000 2.084 137 N HA -0.189 4.551 4.740 0.000 0.000 0.190 137 N C 1.756 177.238 175.510 -0.046 0.000 1.030 137 N CA 1.966 55.051 53.050 0.059 0.000 0.849 137 N CB -0.343 38.178 38.487 0.057 0.000 1.012 137 N HN 0.505 nan 8.380 nan 0.000 0.423 138 E N 0.017 120.198 120.200 -0.031 0.000 2.058 138 E HA -0.154 4.196 4.350 0.000 0.000 0.194 138 E C 1.626 178.185 176.600 -0.068 0.000 0.997 138 E CA 0.977 57.354 56.400 -0.038 0.000 0.801 138 E CB -0.029 29.660 29.700 -0.018 0.000 0.746 138 E HN 0.368 nan 8.360 nan 0.000 0.450 139 E N 0.549 120.691 120.200 -0.096 0.000 2.152 139 E HA -0.105 4.245 4.350 0.000 0.000 0.192 139 E C 2.204 178.703 176.600 -0.167 0.000 0.983 139 E CA 0.570 56.900 56.400 -0.117 0.000 0.818 139 E CB -0.076 29.556 29.700 -0.114 0.000 0.758 139 E HN 0.317 nan 8.360 nan 0.000 0.467 140 L N 0.276 121.346 121.223 -0.256 0.000 2.156 140 L HA -0.051 4.289 4.340 0.000 0.000 0.208 140 L C 2.433 179.285 176.870 -0.030 0.000 1.095 140 L CA 0.504 55.197 54.840 -0.246 0.000 0.770 140 L CB -0.219 41.553 42.059 -0.478 0.000 0.914 140 L HN 0.076 nan 8.230 nan 0.000 0.439 141 I N 0.062 120.590 120.570 -0.071 0.000 2.226 141 I HA -0.287 3.883 4.170 0.000 0.000 0.245 141 I C 2.126 178.242 176.117 -0.002 0.000 1.100 141 I CA 1.050 62.333 61.300 -0.028 0.000 1.374 141 I CB -0.256 37.718 38.000 -0.043 0.000 1.057 141 I HN 0.369 nan 8.210 nan 0.000 0.413 142 N N 0.757 119.435 118.700 -0.036 0.000 2.120 142 N HA -0.183 4.557 4.740 0.000 0.000 0.188 142 N C 1.776 177.247 175.510 -0.064 0.000 1.024 142 N CA 1.090 54.115 53.050 -0.042 0.000 0.852 142 N CB -0.559 37.902 38.487 -0.044 0.000 1.003 142 N HN 0.220 nan 8.380 nan 0.000 0.424 143 L N 1.521 122.686 121.223 -0.095 0.000 1.989 143 L HA -0.169 4.171 4.340 0.000 0.000 0.211 143 L C 2.025 178.750 176.870 -0.241 0.000 1.071 143 L CA 1.887 56.619 54.840 -0.180 0.000 0.749 143 L CB -0.946 40.950 42.059 -0.270 0.000 0.890 143 L HN 0.295 nan 8.230 nan 0.000 0.431 144 H N -0.431 118.573 119.070 -0.110 0.000 2.457 144 H HA -0.068 4.489 4.556 0.000 0.000 0.294 144 H C 2.356 177.634 175.328 -0.083 0.000 1.064 144 H CA 1.454 57.450 56.048 -0.086 0.000 1.330 144 H CB 0.054 29.764 29.762 -0.087 0.000 1.395 144 H HN 0.432 nan 8.280 nan 0.000 0.541 145 R N 0.081 120.579 120.500 -0.004 0.000 2.066 145 R HA -0.066 4.274 4.340 0.000 0.000 0.232 145 R C 2.738 178.972 176.300 -0.111 0.000 1.131 145 R CA 0.937 57.008 56.100 -0.050 0.000 0.955 145 R CB -0.352 29.920 30.300 -0.046 0.000 0.851 145 R HN 0.256 nan 8.270 nan 0.000 0.432 146 G N 0.664 109.393 108.800 -0.118 0.000 2.433 146 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 146 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 146 G C 1.285 176.073 174.900 -0.186 0.000 1.186 146 G CA 0.320 45.325 45.100 -0.158 0.000 0.779 146 G HN 0.182 nan 8.290 nan 0.000 0.543 147 Q N 0.544 120.255 119.800 -0.149 0.000 2.096 147 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 147 Q C 2.821 178.751 176.000 -0.115 0.000 0.982 147 Q CA 1.596 57.324 55.803 -0.125 0.000 0.850 147 Q CB -1.110 27.550 28.738 -0.131 0.000 0.901 147 Q HN 0.446 nan 8.270 nan 0.000 0.422 148 G N 0.898 109.638 108.800 -0.099 0.000 2.469 148 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 148 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 148 G C 1.573 176.381 174.900 -0.153 0.000 1.150 148 G CA 0.778 45.836 45.100 -0.071 0.000 0.763 148 G HN 0.276 nan 8.290 nan 0.000 0.561 149 L N -0.111 120.904 121.223 -0.347 0.000 2.072 149 L HA 0.017 4.357 4.340 0.000 0.000 0.205 149 L C 2.526 178.860 176.870 -0.893 0.000 1.079 149 L CA 1.141 55.524 54.840 -0.760 0.000 0.752 149 L CB -0.430 40.998 42.059 -1.052 0.000 0.906 149 L HN 0.124 nan 8.230 nan 0.000 0.436 150 D N 0.655 120.730 120.400 -0.542 0.000 2.123 150 D HA -0.188 4.452 4.640 0.000 0.000 0.196 150 D C 2.171 178.449 176.300 -0.037 0.000 0.992 150 D CA 1.399 55.273 54.000 -0.210 0.000 0.833 150 D CB 0.039 40.791 40.800 -0.080 0.000 0.954 150 D HN 0.222 nan 8.370 nan 0.000 0.455 151 I N -0.726 119.818 120.570 -0.043 0.000 2.252 151 I HA -0.236 3.934 4.170 0.000 0.000 0.245 151 I C 2.041 178.229 176.117 0.119 0.000 1.102 151 I CA 0.767 62.089 61.300 0.037 0.000 1.385 151 I CB -0.320 37.703 38.000 0.038 0.000 1.064 151 I HN 0.092 nan 8.210 nan 0.000 0.414 152 Y N 0.932 121.253 120.300 0.034 0.000 2.145 152 Y HA -0.286 4.264 4.550 0.001 0.000 0.286 152 Y C 2.322 178.447 175.900 0.376 0.000 1.145 152 Y CA 1.671 59.917 58.100 0.243 0.000 1.148 152 Y CB -0.210 38.299 38.460 0.081 0.000 0.981 152 Y HN 0.096 nan 8.280 nan 0.000 0.507 153 W N 0.868 122.377 121.300 0.349 0.000 2.318 153 W HA -0.246 4.414 4.660 -0.000 0.000 0.313 153 W C 2.749 179.328 176.519 0.100 0.000 1.221 153 W CA 1.834 59.319 57.345 0.234 0.000 1.266 153 W CB -1.344 28.224 29.460 0.180 0.000 1.150 153 W HN 0.158 nan 8.180 nan 0.000 0.496 154 R N 0.517 121.201 120.500 0.305 0.000 2.070 154 R HA -0.153 4.187 4.340 0.000 0.000 0.233 154 R C 1.523 177.809 176.300 -0.024 0.000 1.137 154 R CA 2.151 58.326 56.100 0.125 0.000 0.945 154 R CB -0.598 29.759 30.300 0.095 0.000 0.845 154 R HN -0.051 nan 8.270 nan 0.000 0.430 155 D N -0.642 119.679 120.400 -0.132 0.000 2.317 155 D HA -0.076 4.565 4.640 0.000 0.000 0.211 155 D C 0.550 176.377 176.300 -0.788 0.000 0.966 155 D CA 0.884 54.626 54.000 -0.430 0.000 0.876 155 D CB 0.122 40.606 40.800 -0.527 0.000 0.927 155 D HN 0.264 nan 8.370 nan 0.000 0.519 156 F N -0.010 119.800 119.950 -0.233 0.000 2.654 156 F HA 0.230 4.757 4.527 0.000 0.000 0.303 156 F C 0.509 176.263 175.800 -0.076 0.000 1.099 156 F CA -0.823 57.034 58.000 -0.239 0.000 1.270 156 F CB 0.119 38.781 39.000 -0.564 0.000 1.024 156 F HN -0.193 nan 8.300 nan 0.000 0.548 157 L N 4.349 125.590 121.223 0.031 0.000 2.525 157 L HA 0.115 4.455 4.340 0.000 0.000 0.278 157 L C -1.449 175.440 176.870 0.031 0.000 1.218 157 L CA -0.783 54.089 54.840 0.053 0.000 0.878 157 L CB 0.285 42.356 42.059 0.020 0.000 1.127 157 L HN -0.111 nan 8.230 nan 0.000 0.492 158 P HA 0.034 nan 4.420 nan 0.000 0.249 158 P C 0.527 177.882 177.300 0.092 0.000 1.583 158 P CA -0.047 63.089 63.100 0.060 0.000 0.988 158 P CB 0.269 32.001 31.700 0.053 0.000 1.530 159 E N 0.769 121.052 120.200 0.138 0.000 2.058 159 E HA -0.111 4.239 4.350 0.000 0.000 0.194 159 E C 0.115 176.810 176.600 0.159 0.000 0.997 159 E CA 0.988 57.491 56.400 0.171 0.000 0.801 159 E CB 0.014 29.871 29.700 0.261 0.000 0.746 159 E HN 0.313 nan 8.360 nan 0.000 0.450 160 I N 1.600 122.275 120.570 0.175 0.000 2.466 160 I HA 0.217 4.387 4.170 0.000 0.000 0.289 160 I C -0.855 175.211 176.117 -0.086 0.000 1.026 160 I CA -0.910 60.432 61.300 0.070 0.000 1.078 160 I CB 2.099 40.197 38.000 0.165 0.000 1.249 160 I HN -0.011 nan 8.210 nan 0.000 0.429 161 I N 7.839 128.331 120.570 -0.129 0.000 2.306 161 I HA 0.329 4.500 4.170 0.000 0.000 0.288 161 I C -2.045 173.882 176.117 -0.316 0.000 1.036 161 I CA -2.707 58.486 61.300 -0.177 0.000 1.221 161 I CB 0.332 38.294 38.000 -0.063 0.000 1.385 161 I HN 0.226 nan 8.210 nan 0.000 0.472 162 P HA 0.220 nan 4.420 nan 0.000 0.272 162 P C 0.096 177.188 177.300 -0.348 0.000 1.223 162 P CA -0.088 62.609 63.100 -0.671 0.000 0.784 162 P CB 0.589 31.508 31.700 -1.302 0.000 0.923 163 T N -2.044 112.369 114.554 -0.235 0.000 2.849 163 T HA 0.141 4.491 4.350 0.000 0.000 0.276 163 T C 1.250 175.892 174.700 -0.098 0.000 0.971 163 T CA -0.453 61.560 62.100 -0.145 0.000 0.949 163 T CB 0.799 69.621 68.868 -0.078 0.000 1.093 163 T HN 0.444 nan 8.240 nan 0.000 0.545 164 Q N -0.143 119.604 119.800 -0.089 0.000 2.084 164 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 164 Q C 2.179 178.271 176.000 0.152 0.000 0.978 164 Q CA 1.876 57.654 55.803 -0.042 0.000 0.844 164 Q CB -0.151 28.550 28.738 -0.061 0.000 0.898 164 Q HN 0.911 nan 8.270 nan 0.000 0.426 165 E N -0.030 120.242 120.200 0.121 0.000 2.051 165 E HA -0.226 4.124 4.350 0.000 0.000 0.192 165 E C 1.993 178.699 176.600 0.177 0.000 0.991 165 E CA 1.460 57.953 56.400 0.155 0.000 0.799 165 E CB -0.113 29.652 29.700 0.107 0.000 0.748 165 E HN 0.425 nan 8.360 nan 0.000 0.449 166 M N -0.302 119.382 119.600 0.141 0.000 2.159 166 M HA -0.149 4.331 4.480 0.000 0.000 0.263 166 M C 2.249 178.777 176.300 0.379 0.000 1.063 166 M CA 1.523 56.951 55.300 0.212 0.000 1.110 166 M CB -0.412 32.238 32.600 0.083 0.000 1.374 166 M HN 0.260 nan 8.290 nan 0.000 0.411 167 Y N 1.286 121.691 120.300 0.175 0.000 2.181 167 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 167 Y C 1.882 177.953 175.900 0.285 0.000 1.146 167 Y CA 1.644 59.917 58.100 0.290 0.000 1.164 167 Y CB -0.230 38.317 38.460 0.145 0.000 0.982 167 Y HN 0.067 nan 8.280 nan 0.000 0.515 168 L N 0.318 121.762 121.223 0.367 0.000 2.093 168 L HA -0.236 4.104 4.340 0.000 0.000 0.208 168 L C 2.048 178.981 176.870 0.105 0.000 1.085 168 L CA 1.214 56.203 54.840 0.249 0.000 0.755 168 L CB -0.573 41.686 42.059 0.334 0.000 0.904 168 L HN 0.305 nan 8.230 nan 0.000 0.435 169 N N -0.406 118.373 118.700 0.132 0.000 2.270 169 N HA -0.160 4.580 4.740 0.000 0.000 0.181 169 N C 1.824 177.354 175.510 0.034 0.000 1.016 169 N CA 1.015 54.117 53.050 0.087 0.000 0.870 169 N CB -0.176 38.376 38.487 0.110 0.000 0.979 169 N HN 0.269 nan 8.380 nan 0.000 0.431 170 M N 0.899 120.522 119.600 0.037 0.000 2.175 170 M HA -0.038 4.442 4.480 0.000 0.000 0.264 170 M C 1.488 177.703 176.300 -0.142 0.000 1.063 170 M CA 1.084 56.334 55.300 -0.083 0.000 1.119 170 M CB -0.352 32.165 32.600 -0.139 0.000 1.377 170 M HN -0.153 nan 8.290 nan 0.000 0.415 171 V N 0.809 120.601 119.914 -0.205 0.000 2.427 171 V HA -0.268 3.853 4.120 0.000 0.000 0.248 171 V C 2.683 178.735 176.094 -0.070 0.000 1.051 171 V CA 1.232 63.423 62.300 -0.181 0.000 1.048 171 V CB -0.688 30.987 31.823 -0.247 0.000 0.666 171 V HN 0.453 nan 8.190 nan 0.000 0.456 172 M N -0.152 119.422 119.600 -0.042 0.000 2.267 172 M HA -0.160 4.320 4.480 0.000 0.000 0.263 172 M C 1.863 178.150 176.300 -0.020 0.000 1.063 172 M CA 1.578 56.867 55.300 -0.018 0.000 1.090 172 M CB -1.124 31.478 32.600 0.002 0.000 1.392 172 M HN 0.420 nan 8.290 nan 0.000 0.422 173 N N -0.374 118.303 118.700 -0.038 0.000 2.428 173 N HA -0.043 4.697 4.740 0.000 0.000 0.181 173 N C 1.560 177.037 175.510 -0.054 0.000 1.028 173 N CA 0.790 53.813 53.050 -0.045 0.000 0.877 173 N CB -0.157 38.295 38.487 -0.058 0.000 1.064 173 N HN 0.324 nan 8.380 nan 0.000 0.434 174 K N 0.196 120.555 120.400 -0.069 0.000 2.097 174 K HA -0.045 4.275 4.320 0.000 0.000 0.206 174 K C 0.873 177.465 176.600 -0.013 0.000 1.049 174 K CA 1.532 57.779 56.287 -0.066 0.000 0.933 174 K CB 0.171 32.624 32.500 -0.078 0.000 0.717 174 K HN 0.085 nan 8.250 nan 0.000 0.442 175 T N -1.648 112.924 114.554 0.030 0.000 3.058 175 T HA 0.115 4.465 4.350 0.000 0.000 0.247 175 T C 1.593 176.412 174.700 0.198 0.000 0.987 175 T CA 0.315 62.489 62.100 0.124 0.000 1.062 175 T CB 0.315 69.281 68.868 0.164 0.000 1.048 175 T HN 0.371 nan 8.240 nan 0.000 0.468 176 G N 1.333 110.188 108.800 0.092 0.000 2.450 176 G HA2 -0.051 3.909 3.960 0.000 0.000 0.220 176 G HA3 -0.051 3.909 3.960 0.000 0.000 0.220 176 G C 1.635 176.597 174.900 0.102 0.000 1.130 176 G CA 1.080 46.233 45.100 0.088 0.000 0.760 176 G HN 0.540 nan 8.290 nan 0.000 0.557 177 G N 1.091 109.915 108.800 0.041 0.000 2.491 177 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 177 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 177 G C 1.739 176.625 174.900 -0.022 0.000 1.180 177 G CA 0.880 45.974 45.100 -0.010 0.000 0.774 177 G HN 0.436 nan 8.290 nan 0.000 0.562 178 L N -1.101 120.104 121.223 -0.031 0.000 2.240 178 L HA 0.162 4.502 4.340 0.000 0.000 0.211 178 L C 2.650 179.432 176.870 -0.146 0.000 1.106 178 L CA 0.168 54.941 54.840 -0.112 0.000 0.793 178 L CB -0.347 41.623 42.059 -0.148 0.000 0.927 178 L HN 0.095 nan 8.230 nan 0.000 0.446 179 F N 0.656 120.552 119.950 -0.091 0.000 2.102 179 F HA -0.166 4.361 4.527 0.000 0.000 0.298 179 F C 2.802 178.576 175.800 -0.043 0.000 1.105 179 F CA 1.475 59.428 58.000 -0.079 0.000 1.239 179 F CB -0.280 38.665 39.000 -0.091 0.000 0.991 179 F HN -0.112 nan 8.300 nan 0.000 0.474 180 R N -0.375 120.211 120.500 0.143 0.000 2.096 180 R HA -0.154 4.186 4.340 0.000 0.000 0.235 180 R C 2.115 178.435 176.300 0.033 0.000 1.127 180 R CA 0.985 57.132 56.100 0.079 0.000 0.968 180 R CB -0.788 29.542 30.300 0.050 0.000 0.861 180 R HN 0.209 nan 8.270 nan 0.000 0.440 181 L N 1.165 122.383 121.223 -0.008 0.000 1.989 181 L HA -0.186 4.154 4.340 0.000 0.000 0.211 181 L C 1.742 178.606 176.870 -0.009 0.000 1.071 181 L CA 2.084 56.904 54.840 -0.033 0.000 0.749 181 L CB -1.329 40.672 42.059 -0.097 0.000 0.890 181 L HN 0.128 nan 8.230 nan 0.000 0.431 182 T N 0.377 114.915 114.554 -0.027 0.000 2.684 182 T HA -0.210 4.140 4.350 0.000 0.000 0.267 182 T C 1.885 176.598 174.700 0.022 0.000 1.036 182 T CA 1.815 63.904 62.100 -0.017 0.000 1.148 182 T CB -0.394 68.436 68.868 -0.064 0.000 0.863 182 T HN 0.315 nan 8.240 nan 0.000 0.436 183 L N 1.105 122.356 121.223 0.048 0.000 2.056 183 L HA 0.049 4.389 4.340 0.000 0.000 0.207 183 L C 2.452 179.358 176.870 0.059 0.000 1.078 183 L CA 1.640 56.524 54.840 0.072 0.000 0.749 183 L CB -0.410 41.717 42.059 0.114 0.000 0.901 183 L HN 0.069 nan 8.230 nan 0.000 0.433 184 R N -0.836 119.694 120.500 0.051 0.000 2.115 184 R HA -0.095 4.245 4.340 0.000 0.000 0.230 184 R C 2.247 178.571 176.300 0.039 0.000 1.111 184 R CA 1.416 57.542 56.100 0.044 0.000 0.976 184 R CB -0.497 29.825 30.300 0.036 0.000 0.870 184 R HN 0.381 nan 8.270 nan 0.000 0.445 185 L N 0.174 121.420 121.223 0.039 0.000 2.056 185 L HA -0.166 4.174 4.340 0.000 0.000 0.207 185 L C 2.544 179.436 176.870 0.037 0.000 1.078 185 L CA 1.392 56.257 54.840 0.041 0.000 0.749 185 L CB -0.318 41.770 42.059 0.048 0.000 0.901 185 L HN 0.239 nan 8.230 nan 0.000 0.433 186 M N -0.713 118.909 119.600 0.037 0.000 2.067 186 M HA -0.216 4.264 4.480 0.000 0.000 0.260 186 M C 2.159 178.479 176.300 0.033 0.000 1.069 186 M CA 1.746 57.066 55.300 0.034 0.000 1.117 186 M CB -0.424 32.197 32.600 0.035 0.000 1.334 186 M HN 0.189 nan 8.290 nan 0.000 0.407 187 E N 0.342 120.565 120.200 0.039 0.000 2.118 187 E HA -0.190 4.160 4.350 0.000 0.000 0.195 187 E C 2.023 178.643 176.600 0.032 0.000 0.992 187 E CA 1.326 57.748 56.400 0.037 0.000 0.804 187 E CB -0.159 29.568 29.700 0.045 0.000 0.741 187 E HN 0.514 nan 8.360 nan 0.000 0.458 188 A N 0.757 123.597 122.820 0.033 0.000 1.969 188 A HA -0.094 4.226 4.320 0.000 0.000 0.218 188 A C 2.071 179.674 177.584 0.031 0.000 1.169 188 A CA 0.863 52.919 52.037 0.032 0.000 0.635 188 A CB -0.280 18.739 19.000 0.033 0.000 0.810 188 A HN 0.131 nan 8.150 nan 0.000 0.445 189 L N -0.571 120.670 121.223 0.031 0.000 2.375 189 L HA 0.058 4.398 4.340 0.000 0.000 0.215 189 L C 1.367 178.251 176.870 0.024 0.000 1.108 189 L CA 0.153 55.010 54.840 0.029 0.000 0.830 189 L CB -0.165 41.912 42.059 0.030 0.000 0.959 189 L HN 0.339 nan 8.230 nan 0.000 0.457 190 S N 1.524 117.237 115.700 0.021 0.000 2.596 190 S HA 0.029 4.499 4.470 0.000 0.000 0.298 190 S C -0.856 173.752 174.600 0.013 0.000 1.255 190 S CA -1.105 57.105 58.200 0.016 0.000 1.083 190 S CB 0.573 63.781 63.200 0.014 0.000 0.837 190 S HN 0.103 nan 8.310 nan 0.000 0.499 191 P HA 0.005 nan 4.420 nan 0.000 0.219 191 P C 0.936 178.239 177.300 0.004 0.000 1.154 191 P CA 0.242 63.347 63.100 0.008 0.000 0.826 191 P CB -0.219 31.485 31.700 0.007 0.000 0.795 198 S N 0.178 116.012 115.700 0.223 0.000 2.568 198 S HA 0.132 4.602 4.470 0.000 0.000 0.282 198 S C 1.107 175.822 174.600 0.191 0.000 1.338 198 S CA -0.652 57.639 58.200 0.151 0.000 1.045 198 S CB 0.184 63.437 63.200 0.088 0.000 0.873 198 S HN 0.488 nan 8.310 nan 0.000 0.516 199 L N 4.760 126.082 121.223 0.165 0.000 2.592 199 L HA 0.088 4.428 4.340 0.000 0.000 0.227 199 L C 1.831 178.822 176.870 0.201 0.000 1.127 199 L CA -0.038 54.916 54.840 0.191 0.000 0.884 199 L CB -0.239 41.922 42.059 0.171 0.000 1.065 199 L HN 0.543 nan 8.230 nan 0.000 0.457 200 V N 1.279 121.269 119.914 0.126 0.000 2.252 200 V HA -0.221 3.899 4.120 0.000 0.000 0.249 200 V C -0.036 176.104 176.094 0.077 0.000 1.056 200 V CA 2.262 64.619 62.300 0.095 0.000 1.022 200 V CB -1.346 30.514 31.823 0.060 0.000 0.641 200 V HN 0.359 nan 8.190 nan 0.000 0.445 201 P HA -0.208 nan 4.420 nan 0.000 0.216 201 P C 1.736 179.068 177.300 0.054 0.000 1.153 201 P CA 1.650 64.765 63.100 0.025 0.000 0.858 201 P CB -0.152 31.539 31.700 -0.014 0.000 0.789 202 F N -0.180 119.745 119.950 -0.042 0.000 2.102 202 F HA -0.173 4.355 4.527 0.000 0.000 0.298 202 F C 1.965 177.747 175.800 -0.030 0.000 1.105 202 F CA 1.307 59.290 58.000 -0.029 0.000 1.239 202 F CB -0.883 38.121 39.000 0.005 0.000 0.991 202 F HN -0.245 nan 8.300 nan 0.000 0.474 203 I N 1.035 121.597 120.570 -0.014 0.000 2.493 203 I HA -0.254 3.916 4.170 0.000 0.000 0.254 203 I C 1.919 177.895 176.117 -0.235 0.000 1.160 203 I CA 1.420 62.643 61.300 -0.127 0.000 1.445 203 I CB -0.915 37.177 38.000 0.154 0.000 1.086 203 I HN 0.235 nan 8.210 nan 0.000 0.433 204 N N -0.470 118.143 118.700 -0.144 0.000 2.142 204 N HA -0.180 4.560 4.740 0.000 0.000 0.186 204 N C 1.762 177.137 175.510 -0.226 0.000 1.023 204 N CA 0.919 53.884 53.050 -0.143 0.000 0.852 204 N CB -0.098 38.351 38.487 -0.063 0.000 0.998 204 N HN 0.212 nan 8.380 nan 0.000 0.424 205 L N 0.938 122.011 121.223 -0.249 0.000 2.056 205 L HA -0.031 4.309 4.340 0.000 0.000 0.207 205 L C 1.902 178.556 176.870 -0.360 0.000 1.078 205 L CA 1.203 55.892 54.840 -0.251 0.000 0.749 205 L CB -0.608 41.322 42.059 -0.215 0.000 0.901 205 L HN 0.135 nan 8.230 nan 0.000 0.433 206 L N -0.044 120.844 121.223 -0.558 0.000 2.042 206 L HA -0.094 4.246 4.340 0.000 0.000 0.210 206 L C 2.359 178.811 176.870 -0.697 0.000 1.076 206 L CA 2.171 56.641 54.840 -0.617 0.000 0.749 206 L CB -1.420 40.199 42.059 -0.734 0.000 0.893 206 L HN 0.357 nan 8.230 nan 0.000 0.432 207 G N -0.874 107.363 108.800 -0.938 0.000 2.408 207 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 207 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 207 G C 1.634 176.372 174.900 -0.269 0.000 1.150 207 G CA 1.025 45.577 45.100 -0.913 0.000 0.776 207 G HN 0.461 nan 8.290 nan 0.000 0.542 208 I N 0.438 120.889 120.570 -0.199 0.000 2.252 208 I HA -0.077 4.093 4.170 0.000 0.000 0.245 208 I C 2.611 178.701 176.117 -0.044 0.000 1.102 208 I CA 0.695 61.964 61.300 -0.052 0.000 1.385 208 I CB -0.150 37.840 38.000 -0.015 0.000 1.064 208 I HN 0.127 nan 8.210 nan 0.000 0.414 209 I N -0.214 120.289 120.570 -0.111 0.000 2.226 209 I HA -0.343 3.827 4.170 0.000 0.000 0.245 209 I C 2.640 178.712 176.117 -0.076 0.000 1.100 209 I CA 1.626 62.861 61.300 -0.108 0.000 1.374 209 I CB -0.505 37.414 38.000 -0.136 0.000 1.057 209 I HN 0.228 nan 8.210 nan 0.000 0.413 210 Y N 1.729 121.931 120.300 -0.165 0.000 2.128 210 Y HA -0.384 4.166 4.550 0.000 0.000 0.284 210 Y C 2.744 178.648 175.900 0.007 0.000 1.154 210 Y CA 2.210 60.269 58.100 -0.069 0.000 1.149 210 Y CB -0.243 38.184 38.460 -0.055 0.000 0.976 210 Y HN 0.109 nan 8.280 nan 0.000 0.505 211 Q N 0.656 120.558 119.800 0.170 0.000 2.046 211 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 211 Q C 2.094 178.143 176.000 0.083 0.000 0.975 211 Q CA 2.329 58.230 55.803 0.163 0.000 0.836 211 Q CB -0.527 28.344 28.738 0.221 0.000 0.896 211 Q HN 0.700 nan 8.270 nan 0.000 0.428 212 I N -0.096 120.502 120.570 0.047 0.000 2.286 212 I HA -0.255 3.915 4.170 0.000 0.000 0.248 212 I C 2.545 178.627 176.117 -0.059 0.000 1.115 212 I CA 1.264 62.538 61.300 -0.044 0.000 1.392 212 I CB -0.319 37.473 38.000 -0.347 0.000 1.065 212 I HN 0.215 nan 8.210 nan 0.000 0.418 213 R N 1.141 121.573 120.500 -0.113 0.000 2.075 213 R HA -0.233 4.107 4.340 0.000 0.000 0.232 213 R C 1.971 178.231 176.300 -0.066 0.000 1.126 213 R CA 2.191 58.242 56.100 -0.082 0.000 0.963 213 R CB -0.267 29.947 30.300 -0.144 0.000 0.858 213 R HN 0.291 nan 8.270 nan 0.000 0.435 214 D N 0.185 120.461 120.400 -0.207 0.000 2.104 214 D HA -0.188 4.452 4.640 0.000 0.000 0.194 214 D C 1.247 177.539 176.300 -0.014 0.000 0.994 214 D CA 1.840 55.735 54.000 -0.175 0.000 0.830 214 D CB -0.114 40.537 40.800 -0.248 0.000 0.959 214 D HN 0.241 nan 8.370 nan 0.000 0.452 215 D N -1.055 119.379 120.400 0.057 0.000 2.097 215 D HA -0.187 4.453 4.640 0.000 0.000 0.195 215 D C 1.722 178.083 176.300 0.101 0.000 0.989 215 D CA 0.888 54.955 54.000 0.112 0.000 0.827 215 D CB -0.638 40.277 40.800 0.191 0.000 0.966 215 D HN 0.356 nan 8.370 nan 0.000 0.456 216 Y N 1.330 121.619 120.300 -0.019 0.000 2.114 216 Y HA -0.146 4.405 4.550 0.000 0.000 0.284 216 Y C 2.169 178.048 175.900 -0.036 0.000 1.143 216 Y CA 1.406 59.489 58.100 -0.029 0.000 1.135 216 Y CB -0.456 37.971 38.460 -0.055 0.000 0.980 216 Y HN -0.079 nan 8.280 nan 0.000 0.499 217 L N 0.520 121.710 121.223 -0.054 0.000 2.131 217 L HA -0.261 4.079 4.340 0.000 0.000 0.210 217 L C 2.498 179.283 176.870 -0.141 0.000 1.092 217 L CA 1.481 56.233 54.840 -0.146 0.000 0.759 217 L CB -0.771 41.257 42.059 -0.051 0.000 0.903 217 L HN 0.424 nan 8.230 nan 0.000 0.435 218 N N 0.742 119.391 118.700 -0.084 0.000 2.149 218 N HA -0.183 4.557 4.740 0.000 0.000 0.188 218 N C 1.824 177.296 175.510 -0.064 0.000 1.019 218 N CA 1.377 54.396 53.050 -0.051 0.000 0.857 218 N CB 0.137 38.614 38.487 -0.016 0.000 0.997 218 N HN 0.357 nan 8.380 nan 0.000 0.426 219 L N 0.043 121.196 121.223 -0.117 0.000 2.168 219 L HA 0.022 4.362 4.340 0.000 0.000 0.203 219 L C 2.422 179.220 176.870 -0.119 0.000 1.078 219 L CA 0.488 55.264 54.840 -0.106 0.000 0.780 219 L CB -0.334 41.649 42.059 -0.126 0.000 0.939 219 L HN -0.027 nan 8.230 nan 0.000 0.451 220 K N 0.637 120.855 120.400 -0.302 0.000 2.097 220 K HA -0.152 4.168 4.320 0.000 0.000 0.206 220 K C 1.593 178.090 176.600 -0.172 0.000 1.049 220 K CA 1.363 57.448 56.287 -0.336 0.000 0.933 220 K CB -0.135 31.965 32.500 -0.668 0.000 0.717 220 K HN 0.174 nan 8.250 nan 0.000 0.442 221 D N -0.910 119.413 120.400 -0.128 0.000 2.183 221 D HA -0.114 4.526 4.640 0.000 0.000 0.203 221 D C 1.572 177.847 176.300 -0.042 0.000 0.969 221 D CA 0.712 54.659 54.000 -0.087 0.000 0.842 221 D CB -0.141 40.604 40.800 -0.092 0.000 0.957 221 D HN 0.192 nan 8.370 nan 0.000 0.484 222 F N 1.344 121.217 119.950 -0.128 0.000 2.206 222 F HA -0.067 4.460 4.527 0.000 0.000 0.298 222 F C 2.346 178.103 175.800 -0.072 0.000 1.090 222 F CA 1.033 58.982 58.000 -0.086 0.000 1.323 222 F CB 0.073 39.042 39.000 -0.051 0.000 1.028 222 F HN -0.168 nan 8.300 nan 0.000 0.492 223 Q N -0.157 119.702 119.800 0.098 0.000 2.224 223 Q HA -0.180 4.160 4.340 0.000 0.000 0.203 223 Q C 1.896 177.847 176.000 -0.082 0.000 0.970 223 Q CA 1.556 57.367 55.803 0.012 0.000 0.865 223 Q CB 0.003 28.734 28.738 -0.013 0.000 0.922 223 Q HN 0.497 nan 8.270 nan 0.000 0.445 224 M N -0.872 118.666 119.600 -0.103 0.000 2.429 224 M HA 0.056 4.536 4.480 0.000 0.000 0.265 224 M C 1.091 177.310 176.300 -0.135 0.000 1.120 224 M CA 0.477 55.715 55.300 -0.102 0.000 1.173 224 M CB 0.754 33.302 32.600 -0.088 0.000 1.343 224 M HN 0.051 nan 8.290 nan 0.000 0.464 230 F N 0.649 120.757 119.950 0.263 0.000 2.767 230 F HA 0.464 4.991 4.527 0.001 0.000 0.323 230 F C 1.752 177.480 175.800 -0.119 0.000 1.091 230 F CA 0.413 58.571 58.000 0.264 0.000 1.192 230 F CB 1.114 40.175 39.000 0.101 0.000 1.056 230 F HN 1.041 nan 8.300 nan 0.000 0.571 231 A N 1.617 124.441 122.820 0.007 0.000 2.687 231 A HA -0.337 3.983 4.320 0.000 0.000 0.299 231 A C 1.208 178.696 177.584 -0.160 0.000 1.497 231 A CA 1.057 52.951 52.037 -0.237 0.000 0.751 231 A CB -2.290 16.261 19.000 -0.750 0.000 1.048 231 A HN 0.523 nan 8.150 nan 0.000 0.464 232 E N 0.257 120.459 120.200 0.004 0.000 2.338 232 E HA -0.101 4.250 4.350 0.000 0.000 0.197 232 E C 1.243 177.839 176.600 -0.007 0.000 1.007 232 E CA 1.458 57.870 56.400 0.020 0.000 0.849 232 E CB -0.044 29.719 29.700 0.105 0.000 0.774 232 E HN 0.658 nan 8.360 nan 0.000 0.506 233 D N -0.161 120.233 120.400 -0.010 0.000 2.178 233 D HA -0.120 4.520 4.640 0.000 0.000 0.201 233 D C 1.765 178.050 176.300 -0.025 0.000 0.980 233 D CA 0.847 54.848 54.000 0.002 0.000 0.842 233 D CB -0.054 40.755 40.800 0.016 0.000 0.948 233 D HN 0.351 nan 8.370 nan 0.000 0.472 234 I N 0.631 121.159 120.570 -0.070 0.000 2.252 234 I HA -0.223 3.947 4.170 0.000 0.000 0.245 234 I C 2.236 178.313 176.117 -0.068 0.000 1.102 234 I CA 1.007 62.257 61.300 -0.083 0.000 1.385 234 I CB -0.330 37.588 38.000 -0.137 0.000 1.064 234 I HN -0.051 nan 8.210 nan 0.000 0.414 235 T N -0.095 114.416 114.554 -0.072 0.000 2.746 235 T HA -0.243 4.107 4.350 0.000 0.000 0.267 235 T C 1.809 176.489 174.700 -0.035 0.000 1.039 235 T CA 1.589 63.657 62.100 -0.055 0.000 1.142 235 T CB -0.248 68.588 68.868 -0.053 0.000 0.866 235 T HN 0.453 nan 8.240 nan 0.000 0.444 236 E N 0.460 120.648 120.200 -0.020 0.000 2.152 236 E HA -0.020 4.330 4.350 0.000 0.000 0.192 236 E C 1.644 178.238 176.600 -0.010 0.000 0.983 236 E CA 0.831 57.227 56.400 -0.008 0.000 0.818 236 E CB -0.200 29.507 29.700 0.013 0.000 0.758 236 E HN 0.547 nan 8.360 nan 0.000 0.467 237 G N 1.886 110.680 108.800 -0.010 0.000 2.157 237 G HA2 -0.318 3.642 3.960 0.000 0.000 0.239 237 G HA3 -0.318 3.642 3.960 0.000 0.000 0.239 237 G C 0.181 175.096 174.900 0.026 0.000 0.982 237 G CA 0.317 45.413 45.100 -0.007 0.000 0.650 237 G HN 0.376 nan 8.290 nan 0.000 0.527 238 K N 0.823 121.252 120.400 0.047 0.000 2.530 238 K HA 0.145 4.465 4.320 0.000 0.000 0.280 238 K C 0.579 177.251 176.600 0.119 0.000 1.004 238 K CA -0.352 55.994 56.287 0.099 0.000 1.071 238 K CB 0.021 32.581 32.500 0.100 0.000 0.876 238 K HN 0.036 nan 8.250 nan 0.000 0.487 239 L N 5.587 126.927 121.223 0.195 0.000 2.391 239 L HA 0.031 4.371 4.340 0.000 0.000 0.249 239 L C 0.566 177.580 176.870 0.241 0.000 1.308 239 L CA 0.461 55.412 54.840 0.185 0.000 1.209 239 L CB -1.270 40.939 42.059 0.251 0.000 1.401 239 L HN 0.724 nan 8.230 nan 0.000 0.416 240 S N -0.178 115.612 115.700 0.150 0.000 2.596 240 S HA 0.065 4.535 4.470 0.000 0.000 0.260 240 S C 1.256 175.819 174.600 -0.061 0.000 1.336 240 S CA -0.364 57.935 58.200 0.165 0.000 0.993 240 S CB 0.631 63.897 63.200 0.109 0.000 0.923 240 S HN 0.393 nan 8.310 nan 0.000 0.567 241 F N 2.341 122.079 119.950 -0.354 0.000 2.095 241 F HA 0.076 4.603 4.527 0.000 0.000 0.298 241 F C -1.066 174.546 175.800 -0.312 0.000 1.104 241 F CA 1.359 58.938 58.000 -0.703 0.000 1.232 241 F CB -1.412 37.225 39.000 -0.605 0.000 0.987 241 F HN 0.467 nan 8.300 nan 0.000 0.475 242 P HA -0.187 nan 4.420 nan 0.000 0.216 242 P C 2.073 179.312 177.300 -0.102 0.000 1.153 242 P CA 1.453 64.541 63.100 -0.020 0.000 0.848 242 P CB -0.050 31.682 31.700 0.054 0.000 0.787 243 I N -1.012 119.497 120.570 -0.101 0.000 2.226 243 I HA -0.162 4.008 4.170 0.000 0.000 0.245 243 I C 2.217 178.236 176.117 -0.163 0.000 1.100 243 I CA 1.547 62.785 61.300 -0.104 0.000 1.374 243 I CB -1.267 36.695 38.000 -0.063 0.000 1.057 243 I HN -0.136 nan 8.210 nan 0.000 0.413 244 V N 0.765 120.534 119.914 -0.242 0.000 2.287 244 V HA -0.312 3.808 4.120 0.000 0.000 0.248 244 V C 2.633 178.525 176.094 -0.337 0.000 1.053 244 V CA 2.105 64.223 62.300 -0.302 0.000 1.027 244 V CB -1.042 30.532 31.823 -0.414 0.000 0.646 244 V HN 0.501 nan 8.190 nan 0.000 0.447 245 H N 0.804 119.564 119.070 -0.517 0.000 2.321 245 H HA -0.166 4.390 4.556 0.000 0.000 0.300 245 H C 2.260 177.423 175.328 -0.275 0.000 1.087 245 H CA 2.155 57.906 56.048 -0.495 0.000 1.319 245 H CB -0.078 29.308 29.762 -0.627 0.000 1.379 245 H HN 0.372 nan 8.280 nan 0.000 0.501 246 A N 1.353 124.119 122.820 -0.089 0.000 1.908 246 A HA -0.119 4.201 4.320 0.000 0.000 0.218 246 A C 2.941 180.491 177.584 -0.057 0.000 1.181 246 A CA 1.479 53.491 52.037 -0.042 0.000 0.627 246 A CB -0.929 18.053 19.000 -0.029 0.000 0.818 246 A HN 0.444 nan 8.150 nan 0.000 0.445 247 L N -0.361 120.789 121.223 -0.122 0.000 2.093 247 L HA -0.179 4.161 4.340 0.000 0.000 0.208 247 L C 2.360 179.227 176.870 -0.006 0.000 1.085 247 L CA 1.208 55.981 54.840 -0.111 0.000 0.755 247 L CB -0.523 41.425 42.059 -0.186 0.000 0.904 247 L HN 0.435 nan 8.230 nan 0.000 0.435 248 N N -0.434 118.191 118.700 -0.124 0.000 2.250 248 N HA -0.161 4.580 4.740 0.000 0.000 0.181 248 N C 1.830 177.250 175.510 -0.150 0.000 1.017 248 N CA 1.105 54.069 53.050 -0.143 0.000 0.866 248 N CB -0.154 38.202 38.487 -0.219 0.000 0.985 248 N HN 0.191 nan 8.380 nan 0.000 0.429 249 F N 2.664 122.377 119.950 -0.395 0.000 2.069 249 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 249 F C 2.683 178.390 175.800 -0.155 0.000 1.113 249 F CA 2.089 59.881 58.000 -0.348 0.000 1.214 249 F CB -0.773 37.956 39.000 -0.450 0.000 0.978 249 F HN 0.049 nan 8.300 nan 0.000 0.474 250 T N -1.271 113.348 114.554 0.108 0.000 2.684 250 T HA -0.296 4.054 4.350 0.000 0.000 0.267 250 T C 2.103 176.778 174.700 -0.042 0.000 1.036 250 T CA 1.708 63.852 62.100 0.073 0.000 1.148 250 T CB -0.768 68.215 68.868 0.191 0.000 0.863 250 T HN 0.433 nan 8.240 nan 0.000 0.436 251 K N 0.937 121.326 120.400 -0.018 0.000 2.026 251 K HA -0.142 4.178 4.320 0.000 0.000 0.208 251 K C 2.376 178.867 176.600 -0.181 0.000 1.048 251 K CA 1.812 58.001 56.287 -0.162 0.000 0.929 251 K CB -0.641 31.760 32.500 -0.165 0.000 0.713 251 K HN 0.371 nan 8.250 nan 0.000 0.439 252 T N 1.294 115.726 114.554 -0.202 0.000 2.777 252 T HA -0.031 4.319 4.350 0.000 0.000 0.266 252 T C 1.469 176.011 174.700 -0.264 0.000 1.040 252 T CA 1.065 63.030 62.100 -0.225 0.000 1.141 252 T CB 0.029 68.747 68.868 -0.251 0.000 0.868 252 T HN 0.151 nan 8.240 nan 0.000 0.444 253 K N 0.557 120.735 120.400 -0.371 0.000 2.487 253 K HA 0.223 4.543 4.320 0.000 0.000 0.192 253 K C 1.456 177.932 176.600 -0.206 0.000 1.027 253 K CA 0.353 56.425 56.287 -0.358 0.000 1.054 253 K CB -0.250 31.886 32.500 -0.608 0.000 0.824 253 K HN 0.478 nan 8.250 nan 0.000 0.510 254 G N 1.905 110.605 108.800 -0.167 0.000 2.160 254 G HA2 -0.302 3.659 3.960 0.000 0.000 0.251 254 G HA3 -0.302 3.659 3.960 0.000 0.000 0.251 254 G C -0.125 174.728 174.900 -0.077 0.000 1.008 254 G CA 0.014 45.045 45.100 -0.114 0.000 0.724 254 G HN 0.442 nan 8.290 nan 0.000 0.514 255 Q N 0.536 120.300 119.800 -0.061 0.000 3.027 255 Q HA 0.317 4.657 4.340 0.000 0.000 0.260 255 Q C 1.668 177.685 176.000 0.028 0.000 1.379 255 Q CA 0.268 56.071 55.803 0.001 0.000 1.038 255 Q CB 0.124 28.892 28.738 0.049 0.000 1.578 255 Q HN 0.411 nan 8.270 nan 0.000 0.571 256 T N 0.521 115.073 114.554 -0.003 0.000 2.684 256 T HA -0.235 4.116 4.350 0.000 0.000 0.267 256 T C 1.619 176.354 174.700 0.057 0.000 1.036 256 T CA 1.694 63.796 62.100 0.004 0.000 1.148 256 T CB 0.077 68.929 68.868 -0.027 0.000 0.863 256 T HN 0.489 nan 8.240 nan 0.000 0.436 257 E N 1.128 121.352 120.200 0.041 0.000 2.051 257 E HA -0.172 4.178 4.350 0.000 0.000 0.192 257 E C 2.293 178.929 176.600 0.060 0.000 0.991 257 E CA 1.443 57.870 56.400 0.044 0.000 0.799 257 E CB -0.236 29.482 29.700 0.030 0.000 0.748 257 E HN 0.445 nan 8.360 nan 0.000 0.449 258 Q N -1.116 118.726 119.800 0.069 0.000 2.084 258 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 258 Q C 2.057 178.099 176.000 0.069 0.000 0.978 258 Q CA 1.857 57.702 55.803 0.069 0.000 0.844 258 Q CB -0.454 28.336 28.738 0.087 0.000 0.898 258 Q HN 0.546 nan 8.270 nan 0.000 0.426 259 H N 0.341 119.414 119.070 0.005 0.000 2.290 259 H HA -0.093 4.463 4.556 0.000 0.000 0.298 259 H C 1.409 176.730 175.328 -0.012 0.000 1.087 259 H CA 2.172 58.214 56.048 -0.010 0.000 1.291 259 H CB -0.039 29.708 29.762 -0.025 0.000 1.369 259 H HN 0.329 nan 8.280 nan 0.000 0.492 260 N N -0.727 118.060 118.700 0.145 0.000 2.244 260 N HA -0.150 4.590 4.740 0.000 0.000 0.183 260 N C 1.758 177.271 175.510 0.005 0.000 1.016 260 N CA 0.866 53.963 53.050 0.078 0.000 0.866 260 N CB 0.016 38.555 38.487 0.086 0.000 0.980 260 N HN 0.408 nan 8.380 nan 0.000 0.430 261 E N 1.458 121.661 120.200 0.006 0.000 2.150 261 E HA -0.044 4.306 4.350 0.000 0.000 0.193 261 E C 1.682 178.262 176.600 -0.033 0.000 0.985 261 E CA 0.800 57.196 56.400 -0.006 0.000 0.814 261 E CB -0.077 29.627 29.700 0.008 0.000 0.752 261 E HN 0.336 nan 8.360 nan 0.000 0.466 262 I N 0.128 120.662 120.570 -0.060 0.000 2.179 262 I HA -0.269 3.901 4.170 0.000 0.000 0.242 262 I C 2.211 178.266 176.117 -0.102 0.000 1.088 262 I CA 0.919 62.166 61.300 -0.088 0.000 1.357 262 I CB -0.260 37.662 38.000 -0.130 0.000 1.051 262 I HN 0.162 nan 8.210 nan 0.000 0.409 263 L N 0.136 121.278 121.223 -0.135 0.000 2.046 263 L HA -0.230 4.110 4.340 0.000 0.000 0.208 263 L C 2.779 179.615 176.870 -0.057 0.000 1.077 263 L CA 1.376 56.153 54.840 -0.104 0.000 0.747 263 L CB -0.668 41.332 42.059 -0.099 0.000 0.896 263 L HN 0.222 nan 8.230 nan 0.000 0.432 264 R N 0.702 121.177 120.500 -0.041 0.000 2.081 264 R HA -0.167 4.173 4.340 0.000 0.000 0.235 264 R C 2.315 178.596 176.300 -0.031 0.000 1.131 264 R CA 1.570 57.653 56.100 -0.027 0.000 0.960 264 R CB -0.237 30.054 30.300 -0.015 0.000 0.856 264 R HN 0.302 nan 8.270 nan 0.000 0.436 265 I N 0.787 121.336 120.570 -0.035 0.000 2.315 265 I HA -0.292 3.878 4.170 0.000 0.000 0.248 265 I C 2.142 178.234 176.117 -0.043 0.000 1.117 265 I CA 1.028 62.306 61.300 -0.036 0.000 1.404 265 I CB -0.147 37.832 38.000 -0.035 0.000 1.071 265 I HN 0.226 nan 8.210 nan 0.000 0.419 266 L N 0.086 121.281 121.223 -0.047 0.000 2.046 266 L HA -0.219 4.121 4.340 0.000 0.000 0.208 266 L C 2.347 179.191 176.870 -0.043 0.000 1.077 266 L CA 1.390 56.203 54.840 -0.045 0.000 0.747 266 L CB -0.494 41.538 42.059 -0.045 0.000 0.896 266 L HN 0.265 nan 8.230 nan 0.000 0.432 267 L N -0.644 120.553 121.223 -0.043 0.000 2.465 267 L HA -0.123 4.217 4.340 0.000 0.000 0.224 267 L C 2.196 179.041 176.870 -0.042 0.000 1.145 267 L CA 0.354 55.167 54.840 -0.045 0.000 0.834 267 L CB -0.248 41.786 42.059 -0.042 0.000 0.944 267 L HN 0.276 nan 8.230 nan 0.000 0.451 268 L N -0.688 120.512 121.223 -0.038 0.000 2.291 268 L HA -0.025 4.315 4.340 0.000 0.000 0.214 268 L C 0.680 177.527 176.870 -0.038 0.000 1.120 268 L CA -0.039 54.781 54.840 -0.034 0.000 0.799 268 L CB -0.196 41.845 42.059 -0.030 0.000 0.925 268 L HN 0.248 nan 8.230 nan 0.000 0.446 269 R N 0.455 120.930 120.500 -0.042 0.000 3.333 269 R HA -0.159 4.181 4.340 0.000 0.000 0.256 269 R C 0.266 176.541 176.300 -0.041 0.000 1.010 269 R CA 0.725 56.800 56.100 -0.042 0.000 0.680 269 R CB -3.024 27.251 30.300 -0.042 0.000 1.102 269 R HN 0.238 nan 8.270 nan 0.000 0.440 270 T N -1.398 113.129 114.554 -0.044 0.000 2.909 270 T HA 0.386 4.736 4.350 0.000 0.000 0.289 270 T C 1.011 175.680 174.700 -0.052 0.000 1.005 270 T CA -0.009 62.065 62.100 -0.042 0.000 1.084 270 T CB 0.956 69.802 68.868 -0.036 0.000 0.975 270 T HN 0.265 nan 8.240 nan 0.000 0.509 271 S N 2.283 117.957 115.700 -0.044 0.000 2.559 271 S HA 0.145 4.615 4.470 0.000 0.000 0.226 271 S C 0.247 174.835 174.600 -0.021 0.000 1.000 271 S CA -0.476 57.696 58.200 -0.047 0.000 0.948 271 S CB 0.076 63.245 63.200 -0.052 0.000 0.870 271 S HN 0.824 nan 8.310 nan 0.000 0.497 272 D N 2.772 123.164 120.400 -0.012 0.000 2.371 272 D HA 0.011 4.651 4.640 0.000 0.000 0.256 272 D C 1.096 177.425 176.300 0.049 0.000 1.193 272 D CA 0.137 54.148 54.000 0.018 0.000 0.881 272 D CB 1.001 41.808 40.800 0.012 0.000 1.143 272 D HN 0.309 nan 8.370 nan 0.000 0.473 273 K N 3.418 123.890 120.400 0.121 0.000 2.097 273 K HA -0.150 4.170 4.320 0.000 0.000 0.206 273 K C 0.972 177.714 176.600 0.237 0.000 1.049 273 K CA 1.146 57.597 56.287 0.273 0.000 0.933 273 K CB 0.181 32.885 32.500 0.340 0.000 0.717 273 K HN 0.299 nan 8.250 nan 0.000 0.442 274 D N 1.071 121.552 120.400 0.134 0.000 2.149 274 D HA -0.053 4.587 4.640 0.000 0.000 0.201 274 D C 2.078 178.426 176.300 0.080 0.000 0.972 274 D CA 1.144 55.208 54.000 0.107 0.000 0.835 274 D CB 0.015 40.856 40.800 0.069 0.000 0.966 274 D HN 0.298 nan 8.370 nan 0.000 0.476 275 I N 1.219 121.819 120.570 0.049 0.000 2.252 275 I HA -0.226 3.944 4.170 0.000 0.000 0.245 275 I C 2.407 178.525 176.117 0.003 0.000 1.102 275 I CA 1.025 62.337 61.300 0.020 0.000 1.385 275 I CB -0.121 37.879 38.000 0.001 0.000 1.064 275 I HN -0.108 nan 8.210 nan 0.000 0.414 276 K N 0.359 120.743 120.400 -0.025 0.000 2.057 276 K HA -0.200 4.120 4.320 0.000 0.000 0.207 276 K C 2.072 178.660 176.600 -0.021 0.000 1.049 276 K CA 1.246 57.462 56.287 -0.118 0.000 0.931 276 K CB -0.234 32.045 32.500 -0.369 0.000 0.714 276 K HN 0.123 nan 8.250 nan 0.000 0.440 277 L N 1.964 123.271 121.223 0.141 0.000 2.156 277 L HA -0.127 4.213 4.340 0.000 0.000 0.208 277 L C 2.245 179.180 176.870 0.108 0.000 1.095 277 L CA 1.654 56.618 54.840 0.206 0.000 0.770 277 L CB -0.349 41.869 42.059 0.265 0.000 0.914 277 L HN 0.041 nan 8.230 nan 0.000 0.439 278 K N -0.672 119.775 120.400 0.078 0.000 2.026 278 K HA -0.230 4.090 4.320 0.000 0.000 0.208 278 K C 2.140 178.768 176.600 0.047 0.000 1.048 278 K CA 1.935 58.260 56.287 0.064 0.000 0.929 278 K CB -0.393 32.135 32.500 0.046 0.000 0.713 278 K HN 0.302 nan 8.250 nan 0.000 0.439 279 L N 1.750 122.984 121.223 0.018 0.000 2.046 279 L HA -0.117 4.223 4.340 0.000 0.000 0.208 279 L C 2.046 178.910 176.870 -0.009 0.000 1.077 279 L CA 1.528 56.365 54.840 -0.005 0.000 0.747 279 L CB -0.326 41.713 42.059 -0.034 0.000 0.896 279 L HN 0.261 nan 8.230 nan 0.000 0.432 280 I N -0.640 119.926 120.570 -0.006 0.000 2.226 280 I HA -0.266 3.904 4.170 0.000 0.000 0.245 280 I C 2.310 178.407 176.117 -0.034 0.000 1.100 280 I CA 0.860 62.148 61.300 -0.020 0.000 1.374 280 I CB -0.409 37.600 38.000 0.015 0.000 1.057 280 I HN 0.354 nan 8.210 nan 0.000 0.413 281 Q N 0.246 120.058 119.800 0.021 0.000 2.291 281 Q HA -0.054 4.286 4.340 0.000 0.000 0.205 281 Q C 2.239 178.293 176.000 0.090 0.000 0.970 281 Q CA 1.267 57.103 55.803 0.055 0.000 0.876 281 Q CB -0.172 28.700 28.738 0.223 0.000 0.935 281 Q HN 0.587 nan 8.270 nan 0.000 0.455 282 I N 0.185 120.792 120.570 0.061 0.000 2.202 282 I HA -0.250 3.921 4.170 0.000 0.000 0.242 282 I C 2.019 178.138 176.117 0.004 0.000 1.091 282 I CA 0.835 62.171 61.300 0.060 0.000 1.368 282 I CB -0.164 37.859 38.000 0.039 0.000 1.058 282 I HN 0.139 nan 8.210 nan 0.000 0.410 283 L N 0.171 121.369 121.223 -0.041 0.000 2.191 283 L HA -0.203 4.137 4.340 0.000 0.000 0.212 283 L C 2.457 179.242 176.870 -0.141 0.000 1.103 283 L CA 1.018 55.809 54.840 -0.081 0.000 0.769 283 L CB -0.569 41.447 42.059 -0.072 0.000 0.908 283 L HN 0.271 nan 8.230 nan 0.000 0.438 284 E N 0.722 120.792 120.200 -0.216 0.000 2.016 284 E HA -0.152 4.198 4.350 0.000 0.000 0.190 284 E C 1.896 178.255 176.600 -0.403 0.000 0.985 284 E CA 1.759 57.900 56.400 -0.432 0.000 0.802 284 E CB -0.191 29.015 29.700 -0.823 0.000 0.762 284 E HN 0.408 nan 8.360 nan 0.000 0.448 285 F N -0.761 119.179 119.950 -0.016 0.000 2.505 285 F HA 0.206 4.732 4.527 -0.000 0.000 0.289 285 F C 1.948 177.743 175.800 -0.008 0.000 1.101 285 F CA 0.585 58.580 58.000 -0.009 0.000 1.446 285 F CB 0.188 39.191 39.000 0.005 0.000 1.123 285 F HN 0.101 nan 8.300 nan 0.000 0.564 286 D N -0.278 120.220 120.400 0.163 0.000 2.259 286 D HA -0.101 4.539 4.640 0.000 0.000 0.216 286 D C 2.038 178.366 176.300 0.047 0.000 0.961 286 D CA 1.613 55.688 54.000 0.124 0.000 0.878 286 D CB 0.126 41.001 40.800 0.125 0.000 1.009 286 D HN 0.140 nan 8.370 nan 0.000 0.490 287 T N -3.372 111.110 114.554 -0.119 0.000 3.001 287 T HA 0.117 4.467 4.350 0.000 0.000 0.251 287 T C 0.461 174.773 174.700 -0.647 0.000 1.040 287 T CA -0.176 61.597 62.100 -0.544 0.000 0.985 287 T CB -0.035 68.669 68.868 -0.272 0.000 1.011 287 T HN 0.057 nan 8.240 nan 0.000 0.509 288 N N 1.431 119.949 118.700 -0.302 0.000 2.721 288 N HA -0.154 4.586 4.740 0.000 0.000 0.249 288 N C 0.721 176.066 175.510 -0.275 0.000 1.072 288 N CA 0.896 53.808 53.050 -0.229 0.000 0.710 288 N CB -1.752 36.631 38.487 -0.173 0.000 0.993 288 N HN 0.474 nan 8.380 nan 0.000 0.547 289 S N -0.182 115.358 115.700 -0.266 0.000 2.428 289 S HA 0.084 4.554 4.470 0.000 0.000 0.230 289 S C 2.073 176.596 174.600 -0.129 0.000 1.014 289 S CA 0.397 58.398 58.200 -0.332 0.000 0.957 289 S CB 0.271 63.407 63.200 -0.107 0.000 0.784 289 S HN 0.380 nan 8.310 nan 0.000 0.499 290 L N 1.127 122.316 121.223 -0.057 0.000 2.005 290 L HA -0.070 4.270 4.340 0.000 0.000 0.207 290 L C 2.860 179.795 176.870 0.108 0.000 1.072 290 L CA 1.279 56.170 54.840 0.085 0.000 0.744 290 L CB -0.807 41.263 42.059 0.018 0.000 0.895 290 L HN 0.310 nan 8.230 nan 0.000 0.433 291 A N -0.577 122.249 122.820 0.011 0.000 1.902 291 A HA -0.294 4.026 4.320 0.000 0.000 0.217 291 A C 2.230 179.806 177.584 -0.013 0.000 1.181 291 A CA 1.587 53.624 52.037 -0.001 0.000 0.623 291 A CB -0.998 17.994 19.000 -0.013 0.000 0.818 291 A HN 0.493 nan 8.150 nan 0.000 0.443 292 Y N 1.287 121.487 120.300 -0.167 0.000 2.165 292 Y HA -0.233 4.318 4.550 0.000 0.000 0.286 292 Y C 2.586 178.456 175.900 -0.050 0.000 1.155 292 Y CA 2.434 60.431 58.100 -0.171 0.000 1.164 292 Y CB -0.483 37.674 38.460 -0.506 0.000 0.978 292 Y HN 0.320 nan 8.280 nan 0.000 0.513 293 T N 0.377 114.964 114.554 0.055 0.000 2.770 293 T HA -0.160 4.190 4.350 0.000 0.000 0.263 293 T C 1.855 176.366 174.700 -0.316 0.000 1.039 293 T CA 1.470 63.570 62.100 0.001 0.000 1.142 293 T CB -0.260 68.709 68.868 0.168 0.000 0.868 293 T HN 0.265 nan 8.240 nan 0.000 0.435 294 K N 1.336 121.483 120.400 -0.421 0.000 2.044 294 K HA -0.181 4.139 4.320 0.000 0.000 0.210 294 K C 2.315 178.729 176.600 -0.311 0.000 1.049 294 K CA 1.488 57.452 56.287 -0.540 0.000 0.927 294 K CB -0.252 32.083 32.500 -0.275 0.000 0.713 294 K HN 0.310 nan 8.250 nan 0.000 0.443 295 N N -0.405 118.164 118.700 -0.218 0.000 2.142 295 N HA -0.174 4.567 4.740 0.000 0.000 0.186 295 N C 1.923 177.314 175.510 -0.200 0.000 1.023 295 N CA 0.958 53.896 53.050 -0.186 0.000 0.852 295 N CB -0.099 38.291 38.487 -0.162 0.000 0.998 295 N HN 0.166 nan 8.380 nan 0.000 0.424 296 F N 1.815 121.506 119.950 -0.432 0.000 2.171 296 F HA -0.028 4.499 4.527 0.000 0.000 0.300 296 F C 2.176 177.766 175.800 -0.351 0.000 1.090 296 F CA 0.990 58.743 58.000 -0.412 0.000 1.293 296 F CB -0.086 38.640 39.000 -0.457 0.000 1.013 296 F HN 0.013 nan 8.300 nan 0.000 0.486 297 I N 0.163 120.639 120.570 -0.157 0.000 2.179 297 I HA -0.359 3.811 4.170 0.000 0.000 0.242 297 I C 1.993 177.985 176.117 -0.208 0.000 1.088 297 I CA 1.896 63.068 61.300 -0.213 0.000 1.357 297 I CB -0.739 37.078 38.000 -0.305 0.000 1.051 297 I HN 0.194 nan 8.210 nan 0.000 0.409 298 N N 0.188 118.766 118.700 -0.203 0.000 2.149 298 N HA -0.238 4.502 4.740 0.000 0.000 0.188 298 N C 1.863 177.273 175.510 -0.168 0.000 1.019 298 N CA 1.060 54.012 53.050 -0.163 0.000 0.857 298 N CB -0.062 38.340 38.487 -0.141 0.000 0.997 298 N HN 0.433 nan 8.380 nan 0.000 0.426 299 Q N 0.642 120.312 119.800 -0.218 0.000 2.084 299 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 299 Q C 2.153 178.005 176.000 -0.246 0.000 0.978 299 Q CA 1.001 56.660 55.803 -0.240 0.000 0.844 299 Q CB -0.083 28.455 28.738 -0.332 0.000 0.898 299 Q HN 0.416 nan 8.270 nan 0.000 0.426 300 L N -0.182 120.866 121.223 -0.292 0.000 2.083 300 L HA -0.169 4.171 4.340 0.000 0.000 0.209 300 L C 2.324 179.102 176.870 -0.153 0.000 1.083 300 L CA 0.665 55.364 54.840 -0.235 0.000 0.752 300 L CB -0.446 41.478 42.059 -0.225 0.000 0.899 300 L HN 0.089 nan 8.230 nan 0.000 0.433 301 V N 0.159 119.991 119.914 -0.136 0.000 2.490 301 V HA -0.237 3.883 4.120 0.000 0.000 0.250 301 V C 2.147 178.201 176.094 -0.066 0.000 1.061 301 V CA 1.621 63.867 62.300 -0.090 0.000 1.064 301 V CB -0.632 31.141 31.823 -0.084 0.000 0.670 301 V HN 0.493 nan 8.190 nan 0.000 0.461 302 N N -0.233 118.417 118.700 -0.083 0.000 2.270 302 N HA -0.053 4.688 4.740 0.000 0.000 0.181 302 N C 1.750 177.230 175.510 -0.050 0.000 1.016 302 N CA 1.170 54.183 53.050 -0.061 0.000 0.870 302 N CB -0.322 38.122 38.487 -0.072 0.000 0.979 302 N HN 0.423 nan 8.380 nan 0.000 0.431 303 M N -0.009 119.550 119.600 -0.069 0.000 2.267 303 M HA -0.097 4.383 4.480 0.000 0.000 0.263 303 M C 1.603 177.898 176.300 -0.008 0.000 1.063 303 M CA 1.219 56.489 55.300 -0.051 0.000 1.090 303 M CB -0.100 32.454 32.600 -0.076 0.000 1.392 303 M HN 0.115 nan 8.290 nan 0.000 0.422 304 I N -0.668 119.907 120.570 0.008 0.000 2.499 304 I HA -0.179 3.991 4.170 0.000 0.000 0.243 304 I C 2.136 178.285 176.117 0.053 0.000 1.085 304 I CA 0.826 62.169 61.300 0.071 0.000 1.422 304 I CB -0.334 37.735 38.000 0.116 0.000 1.165 304 I HN 0.136 nan 8.210 nan 0.000 0.440 305 K N 0.797 121.214 120.400 0.029 0.000 2.218 305 K HA -0.110 4.211 4.320 0.000 0.000 0.205 305 K C 0.658 177.264 176.600 0.009 0.000 1.046 305 K CA 0.894 57.192 56.287 0.019 0.000 0.933 305 K CB -0.131 32.371 32.500 0.004 0.000 0.728 305 K HN 0.337 nan 8.250 nan 0.000 0.454 306 N N 0.000 118.701 118.700 0.001 0.000 1.763 306 N HA 0.000 4.740 4.740 0.000 0.000 0.220 306 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 306 N CB 0.000 38.478 38.487 -0.014 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667