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 2zeu_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKMEAKIDEL INNDPVWSSQ NESLISKPYN HILLKXXXNF RLNLIVQINR DATA SEQUENCE VMNLPKDQLA IVSQIVELLH NSSLLIDDIE DNAPLRRGQT TSHLIFGVPS DATA SEQUENCE TINTANYMYF RAMQLVSQLT TKEPLYHNLI TIFNEELINL HRGQGLDIYW DATA SEQUENCE RDFLPEIIPT QEMYLNMVMN KTGGLFRLTL RLMEALSPSX XXGHSLVPFI DATA SEQUENCE NLLGIIYQIR DDYLNLKDFQ MXXXXGFAED ITEGKLSFPI VHALNFTKTK DATA SEQUENCE GQTEQHNEIL RILLLRTSDK DIKLKLIQIL EFDTNSLAYT KNFINQLVNM DATA SEQUENCE IKNXXXXXXX XXXXXXXXXX XXXXXELLYI IDHLSEL 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 1.656 122.056 120.400 0.000 0.000 2.167 5 K HA 0.237 4.558 4.320 0.000 0.000 0.203 5 K C 1.830 178.431 176.600 0.000 0.000 1.052 5 K CA 0.860 57.148 56.287 0.000 0.000 0.956 5 K CB -0.061 32.439 32.500 0.000 0.000 0.735 5 K HN 0.144 nan 8.250 nan 0.000 0.451 6 M N 0.492 120.092 119.600 0.000 0.000 2.123 6 M HA -0.131 4.349 4.480 0.000 0.000 0.263 6 M C 1.924 178.225 176.300 0.001 0.000 1.069 6 M CA 1.907 57.208 55.300 0.001 0.000 1.133 6 M CB -0.262 32.338 32.600 0.001 0.000 1.356 6 M HN 0.344 nan 8.290 nan 0.000 0.415 7 E N -0.001 120.199 120.200 0.001 0.000 2.153 7 E HA -0.158 4.193 4.350 0.000 0.000 0.194 7 E C 1.714 178.315 176.600 0.001 0.000 0.988 7 E CA 1.224 57.624 56.400 0.000 0.000 0.811 7 E CB -0.028 29.672 29.700 0.000 0.000 0.746 7 E HN 0.580 nan 8.360 nan 0.000 0.466 8 A N 1.145 123.966 122.820 0.001 0.000 1.898 8 A HA -0.151 4.169 4.320 0.000 0.000 0.216 8 A C 2.028 179.613 177.584 0.001 0.000 1.181 8 A CA 1.521 53.559 52.037 0.001 0.000 0.620 8 A CB -0.257 18.744 19.000 0.001 0.000 0.819 8 A HN 0.145 nan 8.150 nan 0.000 0.442 9 K N -0.395 120.006 120.400 0.001 0.000 2.057 9 K HA -0.021 4.299 4.320 0.000 0.000 0.206 9 K C 1.779 178.380 176.600 0.002 0.000 1.050 9 K CA 1.255 57.543 56.287 0.002 0.000 0.935 9 K CB -0.228 32.273 32.500 0.002 0.000 0.715 9 K HN 0.345 nan 8.250 nan 0.000 0.439 10 I N 1.630 122.201 120.570 0.002 0.000 2.226 10 I HA -0.245 3.925 4.170 0.000 0.000 0.245 10 I C 1.947 178.065 176.117 0.002 0.000 1.100 10 I CA 1.615 62.916 61.300 0.002 0.000 1.374 10 I CB -0.916 37.085 38.000 0.001 0.000 1.057 10 I HN 0.215 nan 8.210 nan 0.000 0.413 11 D N 0.651 121.052 120.400 0.001 0.000 2.123 11 D HA -0.251 4.389 4.640 0.000 0.000 0.196 11 D C 2.241 178.542 176.300 0.002 0.000 0.992 11 D CA 1.341 55.341 54.000 0.001 0.000 0.833 11 D CB 0.080 40.880 40.800 0.001 0.000 0.954 11 D HN 0.322 nan 8.370 nan 0.000 0.455 12 E N -0.657 119.545 120.200 0.002 0.000 2.106 12 E HA -0.172 4.178 4.350 0.000 0.000 0.192 12 E C 2.129 178.732 176.600 0.005 0.000 0.984 12 E CA 0.460 56.862 56.400 0.003 0.000 0.806 12 E CB -0.104 29.599 29.700 0.004 0.000 0.750 12 E HN 0.272 nan 8.360 nan 0.000 0.458 13 L N 1.518 122.745 121.223 0.005 0.000 1.989 13 L HA -0.174 4.166 4.340 0.000 0.000 0.211 13 L C 2.358 179.232 176.870 0.006 0.000 1.071 13 L CA 1.875 56.720 54.840 0.007 0.000 0.749 13 L CB -0.450 41.613 42.059 0.007 0.000 0.890 13 L HN 0.357 nan 8.230 nan 0.000 0.431 14 I N -3.375 117.197 120.570 0.003 0.000 3.111 14 I HA -0.038 4.133 4.170 0.000 0.000 0.272 14 I C 1.058 177.176 176.117 0.001 0.000 1.268 14 I CA 0.959 62.260 61.300 0.001 0.000 1.467 14 I CB -0.580 37.420 38.000 -0.000 0.000 1.087 14 I HN 0.251 nan 8.210 nan 0.000 0.467 15 N N 1.693 120.394 118.700 0.002 0.000 2.235 15 N HA 0.194 4.934 4.740 0.000 0.000 0.209 15 N C -0.423 175.089 175.510 0.003 0.000 1.122 15 N CA 0.113 53.164 53.050 0.001 0.000 0.845 15 N CB 0.126 38.614 38.487 0.001 0.000 1.004 15 N HN 0.498 nan 8.380 nan 0.000 0.499 16 N N 0.419 119.122 118.700 0.005 0.000 2.380 16 N HA 0.194 4.934 4.740 0.000 0.000 0.290 16 N C -0.983 174.533 175.510 0.010 0.000 1.236 16 N CA -0.482 52.573 53.050 0.008 0.000 0.780 16 N CB 1.880 40.374 38.487 0.011 0.000 1.438 16 N HN -0.098 nan 8.380 nan 0.000 0.491 17 D N 1.227 121.635 120.400 0.013 0.000 2.368 17 D HA 0.182 4.822 4.640 0.000 0.000 0.240 17 D C -1.853 174.463 176.300 0.027 0.000 1.169 17 D CA -0.402 53.607 54.000 0.015 0.000 0.906 17 D CB 0.126 40.938 40.800 0.020 0.000 1.187 17 D HN 0.251 nan 8.370 nan 0.000 0.435 18 P HA 0.016 nan 4.420 nan 0.000 0.268 18 P C -0.342 177.016 177.300 0.095 0.000 1.205 18 P CA -0.230 62.898 63.100 0.046 0.000 0.771 18 P CB 0.483 32.195 31.700 0.021 0.000 0.858 19 V N 4.757 124.735 119.914 0.106 0.000 2.555 19 V HA 0.146 4.266 4.120 0.000 0.000 0.286 19 V C 0.067 176.309 176.094 0.247 0.000 1.044 19 V CA 0.132 62.508 62.300 0.126 0.000 1.026 19 V CB 0.226 32.091 31.823 0.069 0.000 0.981 19 V HN 0.647 nan 8.190 nan 0.000 0.480 20 W N 5.571 126.863 121.300 -0.014 0.000 3.036 20 W HA 0.472 5.132 4.660 0.000 0.000 0.337 20 W C -0.196 176.320 176.519 -0.006 0.000 1.055 20 W CA -0.693 56.643 57.345 -0.015 0.000 1.248 20 W CB 2.230 31.681 29.460 -0.015 0.000 1.335 20 W HN 0.668 nan 8.180 nan 0.000 0.446 21 S N 1.648 116.978 115.700 -0.617 0.000 2.687 21 S HA 0.305 4.775 4.470 0.000 0.000 0.283 21 S C 1.120 175.412 174.600 -0.513 0.000 1.170 21 S CA 0.070 58.009 58.200 -0.435 0.000 1.008 21 S CB 1.764 64.763 63.200 -0.335 0.000 1.026 21 S HN 0.493 nan 8.310 nan 0.000 0.541 22 S N 0.680 116.234 115.700 -0.244 0.000 2.423 22 S HA -0.156 4.314 4.470 0.000 0.000 0.231 22 S C 1.547 176.035 174.600 -0.186 0.000 1.014 22 S CA 0.803 58.909 58.200 -0.157 0.000 0.965 22 S CB -0.658 62.503 63.200 -0.066 0.000 0.785 22 S HN 0.680 nan 8.310 nan 0.000 0.495 23 Q N 2.133 121.801 119.800 -0.219 0.000 2.079 23 Q HA 0.073 4.414 4.340 0.000 0.000 0.200 23 Q C 2.080 177.920 176.000 -0.267 0.000 0.974 23 Q CA 1.449 57.139 55.803 -0.188 0.000 0.840 23 Q CB -0.631 28.008 28.738 -0.164 0.000 0.898 23 Q HN 0.513 nan 8.270 nan 0.000 0.430 24 N N 0.409 118.803 118.700 -0.509 0.000 2.069 24 N HA -0.201 4.540 4.740 0.000 0.000 0.191 24 N C 1.684 176.932 175.510 -0.437 0.000 1.031 24 N CA 1.438 54.030 53.050 -0.762 0.000 0.852 24 N CB -0.316 37.031 38.487 -1.902 0.000 1.018 24 N HN 0.260 nan 8.380 nan 0.000 0.423 25 E N 0.848 120.832 120.200 -0.361 0.000 2.058 25 E HA -0.063 4.287 4.350 0.000 0.000 0.194 25 E C 1.812 178.489 176.600 0.128 0.000 0.997 25 E CA 1.520 58.032 56.400 0.188 0.000 0.801 25 E CB -0.268 29.572 29.700 0.233 0.000 0.746 25 E HN 0.209 nan 8.360 nan 0.000 0.450 26 S N -0.122 115.589 115.700 0.019 0.000 2.383 26 S HA -0.110 4.360 4.470 0.000 0.000 0.227 26 S C 1.688 176.296 174.600 0.013 0.000 1.026 26 S CA 0.856 59.072 58.200 0.025 0.000 0.981 26 S CB -0.274 62.924 63.200 -0.003 0.000 0.818 26 S HN 0.168 nan 8.310 nan 0.000 0.472 27 L N 1.946 123.161 121.223 -0.014 0.000 2.046 27 L HA 0.003 4.343 4.340 0.000 0.000 0.208 27 L C 2.039 178.911 176.870 0.004 0.000 1.077 27 L CA 1.483 56.315 54.840 -0.013 0.000 0.747 27 L CB -0.918 41.123 42.059 -0.030 0.000 0.896 27 L HN 0.496 nan 8.230 nan 0.000 0.432 28 I N -4.813 115.796 120.570 0.064 0.000 3.684 28 I HA 0.048 4.218 4.170 0.000 0.000 0.304 28 I C 1.277 177.436 176.117 0.070 0.000 1.278 28 I CA 0.415 61.758 61.300 0.072 0.000 1.272 28 I CB -0.212 37.865 38.000 0.128 0.000 1.029 28 I HN -0.005 nan 8.210 nan 0.000 0.458 29 S N 0.868 116.609 115.700 0.069 0.000 2.556 29 S HA 0.176 4.647 4.470 0.000 0.000 0.216 29 S C 1.540 176.136 174.600 -0.006 0.000 0.970 29 S CA -0.213 58.042 58.200 0.092 0.000 0.912 29 S CB 0.013 63.293 63.200 0.133 0.000 0.790 29 S HN 0.440 nan 8.310 nan 0.000 0.504 30 K N 1.986 122.272 120.400 -0.190 0.000 2.044 30 K HA -0.123 4.198 4.320 0.000 0.000 0.210 30 K C -1.017 175.204 176.600 -0.630 0.000 1.049 30 K CA 1.600 57.594 56.287 -0.489 0.000 0.927 30 K CB -1.114 30.851 32.500 -0.892 0.000 0.713 30 K HN 0.252 nan 8.250 nan 0.000 0.443 31 P HA -0.171 nan 4.420 nan 0.000 0.218 31 P C 0.950 178.294 177.300 0.074 0.000 1.149 31 P CA 1.094 64.093 63.100 -0.169 0.000 0.817 31 P CB 0.013 31.720 31.700 0.012 0.000 0.785 32 Y N 0.612 120.893 120.300 -0.032 0.000 2.184 32 Y HA -0.116 4.434 4.550 0.000 0.000 0.290 32 Y C 1.954 177.873 175.900 0.032 0.000 1.129 32 Y CA 1.432 59.541 58.100 0.014 0.000 1.144 32 Y CB -0.740 37.724 38.460 0.006 0.000 0.995 32 Y HN -0.149 nan 8.280 nan 0.000 0.513 33 N N -0.555 118.233 118.700 0.147 0.000 2.205 33 N HA -0.235 4.505 4.740 0.000 0.000 0.186 33 N C 1.655 177.182 175.510 0.029 0.000 1.015 33 N CA 1.743 54.841 53.050 0.079 0.000 0.862 33 N CB -0.683 37.861 38.487 0.094 0.000 0.986 33 N HN 0.572 nan 8.380 nan 0.000 0.429 34 H N 0.449 119.525 119.070 0.010 0.000 2.357 34 H HA 0.148 4.704 4.556 0.001 0.000 0.301 34 H C 1.958 177.283 175.328 -0.004 0.000 1.082 34 H CA 1.089 57.182 56.048 0.076 0.000 1.342 34 H CB -0.184 29.742 29.762 0.274 0.000 1.389 34 H HN 0.166 nan 8.280 nan 0.000 0.511 35 I N 0.052 120.563 120.570 -0.099 0.000 3.111 35 I HA -0.124 4.046 4.170 0.000 0.000 0.272 35 I C 1.297 177.264 176.117 -0.250 0.000 1.268 35 I CA 0.467 61.658 61.300 -0.182 0.000 1.467 35 I CB 0.012 37.927 38.000 -0.141 0.000 1.087 35 I HN 0.344 nan 8.210 nan 0.000 0.467 36 L N 0.234 121.287 121.223 -0.284 0.000 2.191 36 L HA -0.193 4.147 4.340 0.000 0.000 0.212 36 L C 2.261 179.056 176.870 -0.124 0.000 1.103 36 L CA 1.037 55.752 54.840 -0.208 0.000 0.769 36 L CB -0.348 41.621 42.059 -0.150 0.000 0.908 36 L HN 0.319 nan 8.230 nan 0.000 0.438 37 L N -0.701 120.432 121.223 -0.150 0.000 2.362 37 L HA -0.124 4.216 4.340 0.000 0.000 0.219 37 L C 1.335 178.150 176.870 -0.090 0.000 1.134 37 L CA 0.677 55.448 54.840 -0.115 0.000 0.807 37 L CB -0.532 41.432 42.059 -0.159 0.000 0.927 37 L HN 0.196 nan 8.230 nan 0.000 0.447 43 F N 2.482 122.441 119.950 0.016 0.000 2.293 43 F HA 0.193 4.720 4.527 0.001 0.000 0.297 43 F C 2.476 178.282 175.800 0.011 0.000 1.089 43 F CA 0.953 58.971 58.000 0.029 0.000 1.377 43 F CB 0.175 39.193 39.000 0.030 0.000 1.051 43 F HN -0.114 nan 8.300 nan 0.000 0.511 44 R N -0.424 120.150 120.500 0.124 0.000 2.090 44 R HA -0.108 4.232 4.340 0.000 0.000 0.228 44 R C 2.086 178.390 176.300 0.005 0.000 1.110 44 R CA 0.953 57.054 56.100 0.003 0.000 0.973 44 R CB -0.657 29.581 30.300 -0.104 0.000 0.869 44 R HN 0.230 nan 8.270 nan 0.000 0.440 45 L N 1.682 122.908 121.223 0.006 0.000 2.017 45 L HA -0.193 4.147 4.340 0.000 0.000 0.208 45 L C 1.894 178.765 176.870 0.000 0.000 1.073 45 L CA 1.929 56.765 54.840 -0.006 0.000 0.745 45 L CB -0.718 41.330 42.059 -0.019 0.000 0.894 45 L HN 0.088 nan 8.230 nan 0.000 0.432 46 N N -0.666 118.031 118.700 -0.006 0.000 2.094 46 N HA -0.265 4.475 4.740 0.000 0.000 0.191 46 N C 1.824 177.378 175.510 0.073 0.000 1.023 46 N CA 1.997 55.056 53.050 0.014 0.000 0.857 46 N CB -0.442 38.049 38.487 0.007 0.000 1.013 46 N HN 0.385 nan 8.380 nan 0.000 0.426 47 L N 0.484 121.770 121.223 0.105 0.000 2.046 47 L HA 0.054 4.394 4.340 0.000 0.000 0.208 47 L C 1.944 178.869 176.870 0.093 0.000 1.077 47 L CA 1.438 56.356 54.840 0.130 0.000 0.747 47 L CB -0.615 41.529 42.059 0.141 0.000 0.896 47 L HN 0.327 nan 8.230 nan 0.000 0.432 48 I N -1.638 118.963 120.570 0.052 0.000 2.179 48 I HA -0.274 3.896 4.170 0.000 0.000 0.242 48 I C 2.358 178.496 176.117 0.035 0.000 1.088 48 I CA 1.201 62.524 61.300 0.038 0.000 1.357 48 I CB -0.456 37.552 38.000 0.014 0.000 1.051 48 I HN 0.076 nan 8.210 nan 0.000 0.409 49 V N 0.442 120.371 119.914 0.025 0.000 2.343 49 V HA -0.273 3.847 4.120 0.000 0.000 0.247 49 V C 2.563 178.669 176.094 0.020 0.000 1.051 49 V CA 1.641 63.949 62.300 0.013 0.000 1.036 49 V CB -0.637 31.184 31.823 -0.003 0.000 0.654 49 V HN 0.442 nan 8.190 nan 0.000 0.451 50 Q N -0.591 119.232 119.800 0.039 0.000 2.050 50 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 50 Q C 2.282 178.305 176.000 0.038 0.000 0.980 50 Q CA 1.472 57.302 55.803 0.044 0.000 0.840 50 Q CB -0.494 28.294 28.738 0.083 0.000 0.898 50 Q HN 0.462 nan 8.270 nan 0.000 0.424 51 I N 1.302 121.907 120.570 0.059 0.000 2.264 51 I HA -0.250 3.920 4.170 0.000 0.000 0.248 51 I C 2.033 178.163 176.117 0.021 0.000 1.111 51 I CA 0.998 62.328 61.300 0.050 0.000 1.382 51 I CB -1.282 36.769 38.000 0.085 0.000 1.060 51 I HN 0.376 nan 8.210 nan 0.000 0.418 52 N N 1.139 119.851 118.700 0.020 0.000 2.289 52 N HA -0.172 4.568 4.740 0.000 0.000 0.184 52 N C 1.851 177.359 175.510 -0.003 0.000 1.016 52 N CA 0.518 53.573 53.050 0.008 0.000 0.872 52 N CB 0.127 38.618 38.487 0.008 0.000 0.973 52 N HN 0.362 nan 8.380 nan 0.000 0.433 53 R N -0.052 120.445 120.500 -0.006 0.000 2.159 53 R HA -0.076 4.264 4.340 0.000 0.000 0.237 53 R C 1.991 178.277 176.300 -0.024 0.000 1.131 53 R CA 0.841 56.932 56.100 -0.015 0.000 0.982 53 R CB 0.030 30.321 30.300 -0.016 0.000 0.868 53 R HN 0.137 nan 8.270 nan 0.000 0.453 54 V N 0.071 119.968 119.914 -0.029 0.000 2.500 54 V HA -0.098 4.022 4.120 0.000 0.000 0.243 54 V C 2.063 178.137 176.094 -0.034 0.000 1.039 54 V CA 1.143 63.417 62.300 -0.045 0.000 1.053 54 V CB -0.105 31.678 31.823 -0.067 0.000 0.695 54 V HN 0.216 nan 8.190 nan 0.000 0.463 55 M N -0.420 119.169 119.600 -0.019 0.000 2.288 55 M HA 0.116 4.596 4.480 0.000 0.000 0.266 55 M C 0.714 177.010 176.300 -0.007 0.000 1.072 55 M CA 0.595 55.889 55.300 -0.010 0.000 1.132 55 M CB -1.013 31.588 32.600 0.003 0.000 1.386 55 M HN 0.438 nan 8.290 nan 0.000 0.432 56 N N 1.649 120.345 118.700 -0.006 0.000 2.740 56 N HA -0.145 4.595 4.740 0.000 0.000 0.248 56 N C -0.727 174.782 175.510 -0.001 0.000 1.062 56 N CA 0.402 53.449 53.050 -0.005 0.000 0.704 56 N CB -1.896 36.586 38.487 -0.008 0.000 0.968 56 N HN 0.394 nan 8.380 nan 0.000 0.547 57 L N 0.838 122.062 121.223 0.003 0.000 2.417 57 L HA 0.348 4.688 4.340 0.000 0.000 0.268 57 L C -1.284 175.588 176.870 0.004 0.000 1.158 57 L CA -1.256 53.587 54.840 0.006 0.000 0.819 57 L CB 0.063 42.128 42.059 0.010 0.000 1.112 57 L HN -0.101 nan 8.230 nan 0.000 0.458 58 P HA 0.097 nan 4.420 nan 0.000 0.272 58 P C -0.078 177.224 177.300 0.004 0.000 1.223 58 P CA -0.446 62.656 63.100 0.003 0.000 0.784 58 P CB 0.862 32.564 31.700 0.004 0.000 0.923 59 K N 0.949 121.350 120.400 0.002 0.000 2.127 59 K HA -0.203 4.117 4.320 0.000 0.000 0.208 59 K C 1.182 177.784 176.600 0.004 0.000 1.047 59 K CA 2.035 58.323 56.287 0.002 0.000 0.927 59 K CB -0.340 32.159 32.500 -0.001 0.000 0.716 59 K HN 0.447 nan 8.250 nan 0.000 0.450 60 D N 0.429 120.832 120.400 0.005 0.000 2.123 60 D HA -0.119 4.521 4.640 0.000 0.000 0.200 60 D C 1.976 178.281 176.300 0.010 0.000 0.976 60 D CA 0.924 54.928 54.000 0.006 0.000 0.831 60 D CB 0.032 40.836 40.800 0.006 0.000 0.974 60 D HN 0.177 nan 8.370 nan 0.000 0.469 61 Q N -0.385 119.421 119.800 0.011 0.000 2.119 61 Q HA -0.090 4.250 4.340 0.000 0.000 0.201 61 Q C 1.992 178.002 176.000 0.016 0.000 0.972 61 Q CA 0.535 56.347 55.803 0.015 0.000 0.847 61 Q CB -0.029 28.718 28.738 0.016 0.000 0.903 61 Q HN 0.197 nan 8.270 nan 0.000 0.433 62 L N 0.191 121.422 121.223 0.013 0.000 2.131 62 L HA -0.101 4.239 4.340 0.000 0.000 0.210 62 L C 2.076 178.954 176.870 0.013 0.000 1.092 62 L CA 1.827 56.674 54.840 0.013 0.000 0.759 62 L CB -0.497 41.568 42.059 0.009 0.000 0.903 62 L HN 0.166 nan 8.230 nan 0.000 0.435 63 A N -0.441 122.386 122.820 0.012 0.000 1.933 63 A HA -0.160 4.160 4.320 0.000 0.000 0.218 63 A C 2.231 179.825 177.584 0.017 0.000 1.175 63 A CA 1.951 53.996 52.037 0.013 0.000 0.628 63 A CB -0.773 18.233 19.000 0.010 0.000 0.814 63 A HN 0.497 nan 8.150 nan 0.000 0.444 64 I N -0.621 119.960 120.570 0.018 0.000 2.286 64 I HA -0.174 3.997 4.170 0.000 0.000 0.245 64 I C 2.297 178.430 176.117 0.027 0.000 1.104 64 I CA 0.826 62.139 61.300 0.021 0.000 1.397 64 I CB -0.302 37.710 38.000 0.019 0.000 1.072 64 I HN 0.134 nan 8.210 nan 0.000 0.417 65 V N 0.135 120.065 119.914 0.026 0.000 2.287 65 V HA -0.324 3.796 4.120 0.000 0.000 0.248 65 V C 2.635 178.746 176.094 0.028 0.000 1.053 65 V CA 2.336 64.654 62.300 0.031 0.000 1.027 65 V CB -0.660 31.179 31.823 0.026 0.000 0.646 65 V HN 0.487 nan 8.190 nan 0.000 0.447 66 S N -1.000 114.713 115.700 0.022 0.000 2.382 66 S HA -0.271 4.199 4.470 0.000 0.000 0.228 66 S C 2.019 176.638 174.600 0.032 0.000 1.027 66 S CA 1.882 60.093 58.200 0.018 0.000 0.991 66 S CB -0.217 62.991 63.200 0.013 0.000 0.823 66 S HN 0.708 nan 8.310 nan 0.000 0.469 67 Q N 0.041 119.863 119.800 0.036 0.000 2.119 67 Q HA 0.029 4.369 4.340 0.000 0.000 0.201 67 Q C 2.147 178.182 176.000 0.058 0.000 0.972 67 Q CA 1.555 57.385 55.803 0.046 0.000 0.847 67 Q CB -0.212 28.546 28.738 0.033 0.000 0.903 67 Q HN 0.602 nan 8.270 nan 0.000 0.433 68 I N -0.227 120.379 120.570 0.059 0.000 2.179 68 I HA -0.262 3.909 4.170 0.000 0.000 0.242 68 I C 2.161 178.337 176.117 0.098 0.000 1.088 68 I CA 0.841 62.195 61.300 0.090 0.000 1.357 68 I CB -0.280 37.783 38.000 0.105 0.000 1.051 68 I HN 0.036 nan 8.210 nan 0.000 0.409 69 V N 0.681 120.633 119.914 0.063 0.000 2.332 69 V HA -0.265 3.855 4.120 0.000 0.000 0.248 69 V C 2.527 178.668 176.094 0.079 0.000 1.055 69 V CA 1.776 64.098 62.300 0.036 0.000 1.038 69 V CB -0.643 31.167 31.823 -0.022 0.000 0.651 69 V HN 0.408 nan 8.190 nan 0.000 0.450 70 E N -0.071 120.185 120.200 0.092 0.000 2.077 70 E HA -0.156 4.194 4.350 0.000 0.000 0.193 70 E C 2.204 178.933 176.600 0.215 0.000 0.989 70 E CA 1.123 57.610 56.400 0.145 0.000 0.800 70 E CB -0.335 29.444 29.700 0.131 0.000 0.746 70 E HN 0.524 nan 8.360 nan 0.000 0.452 71 L N 0.311 121.649 121.223 0.192 0.000 2.027 71 L HA -0.152 4.188 4.340 0.000 0.000 0.206 71 L C 2.564 179.554 176.870 0.199 0.000 1.074 71 L CA 0.829 55.787 54.840 0.197 0.000 0.745 71 L CB -0.371 41.721 42.059 0.055 0.000 0.898 71 L HN 0.099 nan 8.230 nan 0.000 0.433 72 L N -1.293 120.041 121.223 0.186 0.000 2.056 72 L HA -0.236 4.105 4.340 0.000 0.000 0.207 72 L C 2.670 179.654 176.870 0.190 0.000 1.078 72 L CA 1.133 56.098 54.840 0.209 0.000 0.749 72 L CB -0.734 41.392 42.059 0.112 0.000 0.901 72 L HN 0.329 nan 8.230 nan 0.000 0.433 73 H N 0.644 119.745 119.070 0.052 0.000 2.326 73 H HA -0.113 4.444 4.556 0.001 0.000 0.301 73 H C 2.147 177.499 175.328 0.040 0.000 1.081 73 H CA 1.804 57.858 56.048 0.010 0.000 1.334 73 H CB 0.077 29.817 29.762 -0.037 0.000 1.385 73 H HN 0.184 nan 8.280 nan 0.000 0.504 74 N N -0.221 118.493 118.700 0.023 0.000 2.188 74 N HA -0.101 4.640 4.740 0.000 0.000 0.184 74 N C 1.998 177.497 175.510 -0.018 0.000 1.018 74 N CA 1.238 54.240 53.050 -0.080 0.000 0.858 74 N CB -0.237 38.190 38.487 -0.100 0.000 0.989 74 N HN 0.290 nan 8.380 nan 0.000 0.426 75 S N 0.514 116.261 115.700 0.078 0.000 2.383 75 S HA -0.021 4.449 4.470 0.000 0.000 0.227 75 S C 2.151 176.708 174.600 -0.073 0.000 1.026 75 S CA 0.745 58.915 58.200 -0.050 0.000 0.981 75 S CB -0.119 62.899 63.200 -0.302 0.000 0.818 75 S HN 0.292 nan 8.310 nan 0.000 0.472 76 S N 1.714 117.427 115.700 0.022 0.000 2.382 76 S HA 0.044 4.514 4.470 0.000 0.000 0.228 76 S C 1.768 176.344 174.600 -0.039 0.000 1.027 76 S CA 0.852 59.077 58.200 0.042 0.000 0.991 76 S CB -0.375 62.841 63.200 0.027 0.000 0.823 76 S HN 0.374 nan 8.310 nan 0.000 0.469 77 L N 0.882 122.033 121.223 -0.121 0.000 2.027 77 L HA -0.075 4.265 4.340 0.000 0.000 0.206 77 L C 2.248 179.101 176.870 -0.028 0.000 1.074 77 L CA 1.031 55.805 54.840 -0.110 0.000 0.745 77 L CB -0.685 41.250 42.059 -0.206 0.000 0.898 77 L HN 0.296 nan 8.230 nan 0.000 0.433 78 L N -0.477 120.737 121.223 -0.015 0.000 2.012 78 L HA -0.268 4.072 4.340 0.000 0.000 0.210 78 L C 2.596 179.485 176.870 0.032 0.000 1.073 78 L CA 1.140 56.006 54.840 0.043 0.000 0.748 78 L CB -0.474 41.617 42.059 0.054 0.000 0.891 78 L HN 0.238 nan 8.230 nan 0.000 0.431 79 I N -0.036 120.538 120.570 0.006 0.000 2.202 79 I HA -0.286 3.884 4.170 0.000 0.000 0.242 79 I C 2.248 178.359 176.117 -0.009 0.000 1.091 79 I CA 1.663 62.968 61.300 0.008 0.000 1.368 79 I CB -1.059 36.971 38.000 0.049 0.000 1.058 79 I HN 0.331 nan 8.210 nan 0.000 0.410 80 D N 1.189 121.587 120.400 -0.003 0.000 2.116 80 D HA -0.240 4.400 4.640 0.000 0.000 0.193 80 D C 1.667 177.962 176.300 -0.009 0.000 0.998 80 D CA 1.585 55.582 54.000 -0.006 0.000 0.836 80 D CB 0.093 40.894 40.800 0.001 0.000 0.951 80 D HN 0.213 nan 8.370 nan 0.000 0.449 81 D N -0.484 119.922 120.400 0.011 0.000 2.219 81 D HA -0.083 4.558 4.640 0.000 0.000 0.205 81 D C 2.188 178.414 176.300 -0.124 0.000 0.970 81 D CA 0.444 54.469 54.000 0.042 0.000 0.851 81 D CB -0.075 40.823 40.800 0.163 0.000 0.943 81 D HN 0.406 nan 8.370 nan 0.000 0.488 82 I N 0.981 121.395 120.570 -0.259 0.000 2.233 82 I HA -0.194 3.976 4.170 0.000 0.000 0.243 82 I C 2.147 178.121 176.117 -0.239 0.000 1.093 82 I CA 0.982 61.980 61.300 -0.504 0.000 1.380 82 I CB -0.089 37.732 38.000 -0.299 0.000 1.067 82 I HN -0.095 nan 8.210 nan 0.000 0.413 83 E N 0.520 120.649 120.200 -0.118 0.000 2.204 83 E HA -0.215 4.135 4.350 0.000 0.000 0.195 83 E C 0.832 177.400 176.600 -0.052 0.000 0.990 83 E CA 1.041 57.403 56.400 -0.063 0.000 0.821 83 E CB 0.018 29.702 29.700 -0.026 0.000 0.750 83 E HN 0.466 nan 8.360 nan 0.000 0.477 84 D N -0.362 120.008 120.400 -0.048 0.000 2.369 84 D HA -0.000 4.640 4.640 0.000 0.000 0.211 84 D C 0.011 176.299 176.300 -0.020 0.000 1.077 84 D CA 0.024 54.010 54.000 -0.022 0.000 0.842 84 D CB -0.083 40.720 40.800 0.005 0.000 0.947 84 D HN 0.114 nan 8.370 nan 0.000 0.509 85 N N 0.152 118.825 118.700 -0.044 0.000 2.735 85 N HA -0.233 4.508 4.740 0.000 0.000 0.248 85 N C -0.468 175.087 175.510 0.074 0.000 1.083 85 N CA 0.101 53.154 53.050 0.005 0.000 0.703 85 N CB -0.525 37.959 38.487 -0.006 0.000 1.005 85 N HN 0.170 nan 8.380 nan 0.000 0.550 86 A N 0.859 123.744 122.820 0.109 0.000 2.454 86 A HA 0.307 4.627 4.320 0.000 0.000 0.260 86 A C -0.782 176.866 177.584 0.105 0.000 1.106 86 A CA -0.872 51.222 52.037 0.094 0.000 0.780 86 A CB 0.521 19.575 19.000 0.089 0.000 1.044 86 A HN 0.318 nan 8.150 nan 0.000 0.498 87 P HA 0.116 nan 4.420 nan 0.000 0.230 87 P C -0.086 177.158 177.300 -0.092 0.000 1.168 87 P CA 0.704 63.753 63.100 -0.085 0.000 0.793 87 P CB 0.281 31.902 31.700 -0.131 0.000 0.851 88 L N -0.811 120.378 121.223 -0.057 0.000 2.393 88 L HA 0.629 4.969 4.340 0.000 0.000 0.260 88 L C -0.318 176.583 176.870 0.051 0.000 1.002 88 L CA -1.132 53.701 54.840 -0.012 0.000 0.818 88 L CB 2.667 44.707 42.059 -0.032 0.000 1.369 88 L HN -0.289 nan 8.230 nan 0.000 0.412 89 R N 2.219 122.763 120.500 0.073 0.000 2.515 89 R HA 0.450 4.790 4.340 0.000 0.000 0.291 89 R C -0.924 175.421 176.300 0.076 0.000 1.046 89 R CA -0.675 55.472 56.100 0.079 0.000 0.914 89 R CB 0.894 31.238 30.300 0.074 0.000 1.191 89 R HN 0.525 nan 8.270 nan 0.000 0.435 90 R N 3.587 124.136 120.500 0.083 0.000 3.251 90 R HA -0.216 4.124 4.340 0.000 0.000 0.249 90 R C 0.572 176.916 176.300 0.074 0.000 0.949 90 R CA 1.077 57.219 56.100 0.070 0.000 0.645 90 R CB -2.184 28.143 30.300 0.045 0.000 1.065 90 R HN 1.303 nan 8.270 nan 0.000 0.452 91 G N -1.065 107.802 108.800 0.111 0.000 2.257 91 G HA2 -0.408 3.552 3.960 0.000 0.000 0.267 91 G HA3 -0.408 3.552 3.960 0.000 0.000 0.267 91 G C 0.163 175.118 174.900 0.092 0.000 0.984 91 G CA 1.149 46.320 45.100 0.117 0.000 0.626 91 G HN 0.554 nan 8.290 nan 0.000 0.540 92 Q N 0.332 120.177 119.800 0.075 0.000 2.359 92 Q HA 0.690 5.030 4.340 0.000 0.000 0.275 92 Q C 0.318 176.368 176.000 0.084 0.000 1.082 92 Q CA 0.012 55.861 55.803 0.076 0.000 0.849 92 Q CB 1.054 29.834 28.738 0.071 0.000 1.377 92 Q HN 0.202 nan 8.270 nan 0.000 0.452 93 T N 2.065 116.660 114.554 0.069 0.000 2.905 93 T HA 0.145 4.495 4.350 0.000 0.000 0.299 93 T C -0.095 174.622 174.700 0.028 0.000 1.024 93 T CA 0.559 62.654 62.100 -0.009 0.000 1.151 93 T CB -0.354 68.460 68.868 -0.089 0.000 0.987 93 T HN 0.707 nan 8.240 nan 0.000 0.535 94 T N 1.536 116.044 114.554 -0.077 0.000 2.898 94 T HA 0.133 4.484 4.350 0.000 0.000 0.301 94 T C 1.592 176.190 174.700 -0.172 0.000 1.049 94 T CA -0.844 61.225 62.100 -0.052 0.000 1.095 94 T CB 0.768 69.590 68.868 -0.077 0.000 0.976 94 T HN 0.410 nan 8.240 nan 0.000 0.539 95 S N 1.323 117.033 115.700 0.016 0.000 2.383 95 S HA -0.181 4.289 4.470 0.000 0.000 0.229 95 S C 1.768 176.386 174.600 0.030 0.000 1.030 95 S CA 1.742 59.966 58.200 0.039 0.000 1.002 95 S CB -0.754 62.630 63.200 0.307 0.000 0.829 95 S HN 1.060 nan 8.310 nan 0.000 0.467 96 H N 0.605 119.703 119.070 0.047 0.000 2.491 96 H HA 0.185 4.742 4.556 0.000 0.000 0.290 96 H C 1.627 176.937 175.328 -0.030 0.000 1.050 96 H CA 0.851 56.922 56.048 0.038 0.000 1.309 96 H CB -0.422 29.361 29.762 0.034 0.000 1.392 96 H HN 0.295 nan 8.280 nan 0.000 0.554 97 L N -0.141 120.767 121.223 -0.525 0.000 2.341 97 L HA 0.061 4.401 4.340 0.000 0.000 0.214 97 L C 1.890 178.568 176.870 -0.320 0.000 1.115 97 L CA 0.549 55.169 54.840 -0.367 0.000 0.820 97 L CB -0.070 41.748 42.059 -0.402 0.000 0.944 97 L HN 0.347 nan 8.230 nan 0.000 0.452 98 I N -1.400 118.897 120.570 -0.456 0.000 2.385 98 I HA -0.143 4.027 4.170 0.000 0.000 0.244 98 I C 1.706 177.387 176.117 -0.726 0.000 1.089 98 I CA 1.269 62.146 61.300 -0.705 0.000 1.410 98 I CB -0.041 37.252 38.000 -1.179 0.000 1.117 98 I HN 0.041 nan 8.210 nan 0.000 0.429 99 F N 0.860 120.759 119.950 -0.085 0.000 2.746 99 F HA 0.415 4.942 4.527 0.001 0.000 0.297 99 F C 1.170 176.972 175.800 0.002 0.000 1.113 99 F CA 0.263 58.245 58.000 -0.029 0.000 1.367 99 F CB 0.182 39.176 39.000 -0.010 0.000 1.111 99 F HN 0.110 nan 8.300 nan 0.000 0.590 100 G N 0.204 109.075 108.800 0.118 0.000 2.675 100 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 100 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 100 G C 0.252 175.247 174.900 0.159 0.000 1.215 100 G CA -0.629 44.538 45.100 0.112 0.000 0.777 100 G HN -0.137 nan 8.290 nan 0.000 0.638 101 V N 2.081 122.077 119.914 0.136 0.000 2.343 101 V HA -0.101 4.019 4.120 0.000 0.000 0.247 101 V C 0.587 176.735 176.094 0.089 0.000 1.051 101 V CA 2.861 65.229 62.300 0.113 0.000 1.036 101 V CB -1.070 30.788 31.823 0.058 0.000 0.654 101 V HN 0.655 nan 8.190 nan 0.000 0.451 102 P HA -0.105 nan 4.420 nan 0.000 0.214 102 P C 2.031 179.375 177.300 0.074 0.000 1.163 102 P CA 1.729 64.868 63.100 0.066 0.000 0.883 102 P CB -0.092 31.642 31.700 0.056 0.000 0.788 103 S N -1.285 114.471 115.700 0.093 0.000 2.402 103 S HA -0.109 4.362 4.470 0.000 0.000 0.229 103 S C 1.864 176.521 174.600 0.095 0.000 1.021 103 S CA 1.728 59.981 58.200 0.089 0.000 0.974 103 S CB -1.243 62.023 63.200 0.109 0.000 0.800 103 S HN 0.280 nan 8.310 nan 0.000 0.484 104 T N 2.356 116.988 114.554 0.129 0.000 2.812 104 T HA 0.091 4.441 4.350 0.000 0.000 0.264 104 T C 1.744 176.498 174.700 0.090 0.000 1.042 104 T CA 0.885 63.065 62.100 0.133 0.000 1.140 104 T CB -0.313 68.670 68.868 0.192 0.000 0.870 104 T HN 0.295 nan 8.240 nan 0.000 0.445 105 I N 1.640 122.255 120.570 0.075 0.000 2.127 105 I HA -0.218 3.952 4.170 0.000 0.000 0.241 105 I C 2.590 178.744 176.117 0.062 0.000 1.075 105 I CA 1.346 62.681 61.300 0.058 0.000 1.334 105 I CB -0.420 37.615 38.000 0.057 0.000 1.040 105 I HN 0.224 nan 8.210 nan 0.000 0.405 106 N N 0.323 119.062 118.700 0.065 0.000 2.069 106 N HA -0.188 4.552 4.740 0.000 0.000 0.191 106 N C 1.720 177.283 175.510 0.089 0.000 1.031 106 N CA 2.223 55.311 53.050 0.063 0.000 0.852 106 N CB -0.101 38.405 38.487 0.031 0.000 1.018 106 N HN 0.204 nan 8.380 nan 0.000 0.423 107 T N -0.339 114.270 114.554 0.091 0.000 2.777 107 T HA -0.039 4.312 4.350 0.000 0.000 0.266 107 T C 1.849 176.612 174.700 0.105 0.000 1.040 107 T CA 1.254 63.438 62.100 0.140 0.000 1.141 107 T CB -0.618 68.323 68.868 0.122 0.000 0.868 107 T HN 0.435 nan 8.240 nan 0.000 0.444 108 A N 2.062 124.900 122.820 0.031 0.000 1.908 108 A HA -0.173 4.147 4.320 0.000 0.000 0.218 108 A C 2.144 179.536 177.584 -0.320 0.000 1.181 108 A CA 1.912 53.875 52.037 -0.123 0.000 0.627 108 A CB -0.878 18.039 19.000 -0.139 0.000 0.818 108 A HN 0.623 nan 8.150 nan 0.000 0.445 109 N N -1.956 116.674 118.700 -0.117 0.000 2.188 109 N HA -0.172 4.568 4.740 0.000 0.000 0.184 109 N C 1.761 177.426 175.510 0.257 0.000 1.018 109 N CA 1.299 54.367 53.050 0.031 0.000 0.858 109 N CB -0.290 38.340 38.487 0.239 0.000 0.989 109 N HN 0.589 nan 8.380 nan 0.000 0.426 110 Y N 1.853 122.209 120.300 0.094 0.000 2.151 110 Y HA -0.161 4.390 4.550 0.000 0.000 0.284 110 Y C 2.037 177.986 175.900 0.082 0.000 1.166 110 Y CA 1.390 59.564 58.100 0.124 0.000 1.163 110 Y CB -0.242 38.222 38.460 0.007 0.000 0.974 110 Y HN 0.039 nan 8.280 nan 0.000 0.511 111 M N -1.156 118.370 119.600 -0.123 0.000 2.374 111 M HA -0.194 4.286 4.480 0.000 0.000 0.264 111 M C 1.992 178.223 176.300 -0.115 0.000 1.067 111 M CA 1.075 56.189 55.300 -0.310 0.000 1.103 111 M CB -1.589 30.776 32.600 -0.391 0.000 1.402 111 M HN 0.436 nan 8.290 nan 0.000 0.444 112 Y N -0.820 119.428 120.300 -0.087 0.000 2.181 112 Y HA -0.234 4.317 4.550 0.000 0.000 0.288 112 Y C 2.188 177.970 175.900 -0.197 0.000 1.146 112 Y CA 0.876 58.874 58.100 -0.169 0.000 1.164 112 Y CB -0.442 37.792 38.460 -0.378 0.000 0.982 112 Y HN 0.051 nan 8.280 nan 0.000 0.515 113 F N -0.497 119.575 119.950 0.203 0.000 2.259 113 F HA -0.156 4.372 4.527 0.000 0.000 0.298 113 F C 2.231 178.015 175.800 -0.028 0.000 1.088 113 F CA 0.623 58.682 58.000 0.097 0.000 1.358 113 F CB -0.186 38.876 39.000 0.102 0.000 1.040 113 F HN -0.116 nan 8.300 nan 0.000 0.505 114 R N 0.537 121.028 120.500 -0.015 0.000 2.075 114 R HA -0.055 4.285 4.340 0.000 0.000 0.232 114 R C 2.396 178.656 176.300 -0.067 0.000 1.126 114 R CA 1.201 57.219 56.100 -0.136 0.000 0.963 114 R CB -1.403 28.683 30.300 -0.357 0.000 0.858 114 R HN 0.306 nan 8.270 nan 0.000 0.435 115 A N 1.251 124.066 122.820 -0.009 0.000 1.902 115 A HA -0.156 4.164 4.320 0.000 0.000 0.217 115 A C 2.265 179.815 177.584 -0.057 0.000 1.181 115 A CA 1.572 53.644 52.037 0.059 0.000 0.623 115 A CB -0.489 18.650 19.000 0.231 0.000 0.818 115 A HN 0.287 nan 8.150 nan 0.000 0.443 116 M N -0.914 118.594 119.600 -0.153 0.000 2.108 116 M HA -0.260 4.220 4.480 0.000 0.000 0.261 116 M C 2.412 178.532 176.300 -0.301 0.000 1.066 116 M CA 2.325 57.258 55.300 -0.612 0.000 1.107 116 M CB -0.266 32.120 32.600 -0.356 0.000 1.356 116 M HN 0.633 nan 8.290 nan 0.000 0.406 117 Q N 0.341 120.076 119.800 -0.108 0.000 2.152 117 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 117 Q C 1.922 177.895 176.000 -0.045 0.000 0.985 117 Q CA 1.717 57.492 55.803 -0.048 0.000 0.863 117 Q CB -0.242 28.484 28.738 -0.021 0.000 0.904 117 Q HN 0.615 nan 8.270 nan 0.000 0.422 118 L N -0.322 120.867 121.223 -0.057 0.000 2.191 118 L HA -0.181 4.159 4.340 0.000 0.000 0.212 118 L C 2.261 179.123 176.870 -0.013 0.000 1.103 118 L CA 0.470 55.292 54.840 -0.029 0.000 0.769 118 L CB -0.282 41.766 42.059 -0.019 0.000 0.908 118 L HN 0.163 nan 8.230 nan 0.000 0.438 119 V N -0.114 119.768 119.914 -0.053 0.000 2.380 119 V HA -0.309 3.811 4.120 0.000 0.000 0.251 119 V C 2.529 178.713 176.094 0.150 0.000 1.063 119 V CA 2.110 64.402 62.300 -0.013 0.000 1.055 119 V CB -0.692 31.032 31.823 -0.166 0.000 0.657 119 V HN 0.668 nan 8.190 nan 0.000 0.455 120 S N -0.717 115.096 115.700 0.189 0.000 2.507 120 S HA -0.170 4.300 4.470 0.000 0.000 0.235 120 S C 1.647 176.267 174.600 0.032 0.000 0.988 120 S CA 0.859 59.136 58.200 0.129 0.000 0.944 120 S CB -0.346 62.804 63.200 -0.082 0.000 0.762 120 S HN 0.721 nan 8.310 nan 0.000 0.526 121 Q N 0.164 119.984 119.800 0.033 0.000 2.403 121 Q HA 0.302 4.642 4.340 0.000 0.000 0.203 121 Q C 1.527 177.545 176.000 0.030 0.000 0.932 121 Q CA 0.189 56.001 55.803 0.016 0.000 0.945 121 Q CB -0.181 28.562 28.738 0.008 0.000 1.045 121 Q HN 0.586 nan 8.270 nan 0.000 0.511 122 L N -0.734 120.523 121.223 0.057 0.000 2.270 122 L HA 0.061 4.402 4.340 0.000 0.000 0.210 122 L C 1.042 177.946 176.870 0.056 0.000 1.104 122 L CA 0.663 55.535 54.840 0.054 0.000 0.804 122 L CB 0.474 42.568 42.059 0.058 0.000 0.937 122 L HN -0.010 nan 8.230 nan 0.000 0.450 123 T N -2.380 112.217 114.554 0.072 0.000 2.827 123 T HA 0.182 4.532 4.350 0.000 0.000 0.328 123 T C 0.439 175.162 174.700 0.039 0.000 1.598 123 T CA -0.011 62.125 62.100 0.060 0.000 1.043 123 T CB 1.417 70.336 68.868 0.084 0.000 1.447 123 T HN 0.087 nan 8.240 nan 0.000 0.491 124 T N -0.213 114.352 114.554 0.018 0.000 3.040 124 T HA 0.289 4.639 4.350 0.000 0.000 0.250 124 T C 0.671 175.374 174.700 0.005 0.000 1.058 124 T CA -0.080 62.014 62.100 -0.010 0.000 0.988 124 T CB -0.068 68.791 68.868 -0.015 0.000 0.993 124 T HN 0.540 nan 8.240 nan 0.000 0.519 125 K N 2.040 122.463 120.400 0.039 0.000 2.310 125 K HA 0.104 4.425 4.320 0.000 0.000 0.290 125 K C 0.828 177.485 176.600 0.096 0.000 1.077 125 K CA -0.318 56.000 56.287 0.052 0.000 0.922 125 K CB 0.621 33.151 32.500 0.050 0.000 1.057 125 K HN -0.088 nan 8.250 nan 0.000 0.479 126 E N 4.156 124.403 120.200 0.079 0.000 2.070 126 E HA -0.166 4.184 4.350 0.000 0.000 0.197 126 E C -1.044 175.664 176.600 0.181 0.000 1.004 126 E CA 1.513 57.992 56.400 0.131 0.000 0.805 126 E CB -1.125 28.622 29.700 0.078 0.000 0.744 126 E HN 0.654 nan 8.360 nan 0.000 0.451 127 P HA -0.130 nan 4.420 nan 0.000 0.215 127 P C 1.752 179.125 177.300 0.121 0.000 1.153 127 P CA 0.769 63.920 63.100 0.085 0.000 0.853 127 P CB -0.058 31.664 31.700 0.037 0.000 0.788 128 L N -1.512 119.778 121.223 0.112 0.000 2.056 128 L HA -0.150 4.191 4.340 0.000 0.000 0.207 128 L C 2.366 179.305 176.870 0.116 0.000 1.078 128 L CA 1.713 56.611 54.840 0.098 0.000 0.749 128 L CB -1.661 40.447 42.059 0.082 0.000 0.901 128 L HN -0.084 nan 8.230 nan 0.000 0.433 129 Y N -0.475 119.856 120.300 0.052 0.000 2.128 129 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 129 Y C 2.871 178.801 175.900 0.050 0.000 1.154 129 Y CA 2.329 60.450 58.100 0.035 0.000 1.149 129 Y CB -0.693 37.782 38.460 0.024 0.000 0.976 129 Y HN 0.459 nan 8.280 nan 0.000 0.505 130 H N 0.371 119.419 119.070 -0.036 0.000 2.319 130 H HA -0.179 4.377 4.556 0.001 0.000 0.297 130 H C 1.584 176.828 175.328 -0.139 0.000 1.097 130 H CA 2.149 58.135 56.048 -0.102 0.000 1.285 130 H CB -0.228 29.547 29.762 0.021 0.000 1.368 130 H HN 0.392 nan 8.280 nan 0.000 0.495 131 N N 0.651 119.403 118.700 0.087 0.000 2.166 131 N HA -0.100 4.640 4.740 0.000 0.000 0.186 131 N C 2.416 177.884 175.510 -0.069 0.000 1.019 131 N CA 0.840 53.914 53.050 0.040 0.000 0.856 131 N CB -0.486 38.041 38.487 0.066 0.000 0.993 131 N HN 0.374 nan 8.380 nan 0.000 0.426 132 L N 0.233 121.379 121.223 -0.128 0.000 2.056 132 L HA -0.064 4.276 4.340 0.000 0.000 0.207 132 L C 1.943 178.700 176.870 -0.189 0.000 1.078 132 L CA 0.712 55.471 54.840 -0.135 0.000 0.749 132 L CB -0.336 41.639 42.059 -0.140 0.000 0.901 132 L HN 0.122 nan 8.230 nan 0.000 0.433 133 I N -0.171 120.158 120.570 -0.401 0.000 2.394 133 I HA -0.215 3.956 4.170 0.000 0.000 0.251 133 I C 2.480 178.502 176.117 -0.160 0.000 1.136 133 I CA 1.525 62.610 61.300 -0.358 0.000 1.425 133 I CB -1.107 36.559 38.000 -0.556 0.000 1.079 133 I HN 0.284 nan 8.210 nan 0.000 0.425 134 T N 1.297 115.730 114.554 -0.202 0.000 2.821 134 T HA -0.068 4.282 4.350 0.000 0.000 0.267 134 T C 2.058 176.739 174.700 -0.032 0.000 1.046 134 T CA 1.071 63.098 62.100 -0.120 0.000 1.139 134 T CB -0.088 68.713 68.868 -0.112 0.000 0.871 134 T HN 0.210 nan 8.240 nan 0.000 0.454 135 I N 0.228 120.789 120.570 -0.015 0.000 2.202 135 I HA -0.117 4.054 4.170 0.000 0.000 0.242 135 I C 2.089 178.230 176.117 0.041 0.000 1.091 135 I CA 1.340 62.648 61.300 0.013 0.000 1.368 135 I CB -0.350 37.662 38.000 0.020 0.000 1.058 135 I HN 0.181 nan 8.210 nan 0.000 0.410 136 F N 1.946 121.835 119.950 -0.101 0.000 2.069 136 F HA -0.316 4.212 4.527 0.000 0.000 0.298 136 F C 2.447 178.183 175.800 -0.107 0.000 1.113 136 F CA 1.965 59.904 58.000 -0.101 0.000 1.214 136 F CB -0.382 38.549 39.000 -0.115 0.000 0.978 136 F HN 0.063 nan 8.300 nan 0.000 0.474 137 N N 0.822 119.627 118.700 0.174 0.000 2.069 137 N HA -0.222 4.518 4.740 0.000 0.000 0.191 137 N C 1.764 177.233 175.510 -0.068 0.000 1.031 137 N CA 2.099 55.173 53.050 0.040 0.000 0.852 137 N CB -0.370 38.138 38.487 0.036 0.000 1.018 137 N HN 0.525 nan 8.380 nan 0.000 0.423 138 E N -0.068 120.103 120.200 -0.049 0.000 2.077 138 E HA -0.139 4.211 4.350 0.000 0.000 0.193 138 E C 1.549 178.103 176.600 -0.076 0.000 0.989 138 E CA 0.857 57.226 56.400 -0.051 0.000 0.800 138 E CB 0.005 29.688 29.700 -0.028 0.000 0.746 138 E HN 0.383 nan 8.360 nan 0.000 0.452 139 E N 0.407 120.543 120.200 -0.106 0.000 2.285 139 E HA -0.056 4.295 4.350 0.000 0.000 0.194 139 E C 2.146 178.642 176.600 -0.174 0.000 0.997 139 E CA 0.407 56.735 56.400 -0.120 0.000 0.845 139 E CB 0.094 29.727 29.700 -0.112 0.000 0.782 139 E HN 0.330 nan 8.360 nan 0.000 0.491 140 L N 0.369 121.435 121.223 -0.261 0.000 2.179 140 L HA -0.062 4.279 4.340 0.000 0.000 0.208 140 L C 2.302 179.135 176.870 -0.062 0.000 1.096 140 L CA 0.432 55.111 54.840 -0.268 0.000 0.779 140 L CB -0.253 41.503 42.059 -0.505 0.000 0.922 140 L HN 0.107 nan 8.230 nan 0.000 0.443 141 I N 0.559 121.074 120.570 -0.091 0.000 2.179 141 I HA -0.273 3.897 4.170 0.000 0.000 0.242 141 I C 2.230 178.336 176.117 -0.018 0.000 1.088 141 I CA 1.404 62.676 61.300 -0.046 0.000 1.357 141 I CB -1.059 36.908 38.000 -0.054 0.000 1.051 141 I HN 0.358 nan 8.210 nan 0.000 0.409 142 N N 1.026 119.699 118.700 -0.046 0.000 2.069 142 N HA -0.197 4.543 4.740 0.000 0.000 0.191 142 N C 1.852 177.325 175.510 -0.063 0.000 1.031 142 N CA 1.035 54.057 53.050 -0.046 0.000 0.852 142 N CB -0.734 37.726 38.487 -0.044 0.000 1.018 142 N HN 0.249 nan 8.380 nan 0.000 0.423 143 L N 1.270 122.437 121.223 -0.094 0.000 2.012 143 L HA -0.160 4.180 4.340 0.000 0.000 0.210 143 L C 2.041 178.778 176.870 -0.223 0.000 1.073 143 L CA 1.868 56.611 54.840 -0.162 0.000 0.748 143 L CB -0.888 41.027 42.059 -0.240 0.000 0.891 143 L HN 0.294 nan 8.230 nan 0.000 0.431 144 H N -0.302 118.696 119.070 -0.120 0.000 2.389 144 H HA -0.050 4.506 4.556 0.000 0.000 0.299 144 H C 2.381 177.656 175.328 -0.089 0.000 1.081 144 H CA 1.560 57.550 56.048 -0.097 0.000 1.345 144 H CB 0.093 29.792 29.762 -0.106 0.000 1.393 144 H HN 0.419 nan 8.280 nan 0.000 0.520 145 R N -0.014 120.486 120.500 -0.001 0.000 2.070 145 R HA -0.093 4.247 4.340 0.000 0.000 0.233 145 R C 2.706 178.942 176.300 -0.108 0.000 1.137 145 R CA 1.102 57.172 56.100 -0.050 0.000 0.945 145 R CB -0.489 29.782 30.300 -0.047 0.000 0.845 145 R HN 0.267 nan 8.270 nan 0.000 0.430 146 G N 0.588 109.319 108.800 -0.115 0.000 2.421 146 G HA2 -0.343 3.618 3.960 0.000 0.000 0.216 146 G HA3 -0.343 3.618 3.960 0.000 0.000 0.216 146 G C 1.377 176.165 174.900 -0.185 0.000 1.171 146 G CA 0.770 45.777 45.100 -0.155 0.000 0.775 146 G HN 0.267 nan 8.290 nan 0.000 0.543 147 Q N 0.708 120.418 119.800 -0.150 0.000 2.135 147 Q HA 0.040 4.380 4.340 0.000 0.000 0.204 147 Q C 2.499 178.428 176.000 -0.118 0.000 0.981 147 Q CA 2.145 57.869 55.803 -0.131 0.000 0.856 147 Q CB -0.930 27.720 28.738 -0.146 0.000 0.902 147 Q HN 0.315 nan 8.270 nan 0.000 0.425 148 G N 0.465 109.204 108.800 -0.102 0.000 2.418 148 G HA2 -0.223 3.738 3.960 0.000 0.000 0.217 148 G HA3 -0.223 3.738 3.960 0.000 0.000 0.217 148 G C 1.392 176.207 174.900 -0.141 0.000 1.158 148 G CA 0.818 45.878 45.100 -0.066 0.000 0.771 148 G HN 0.382 nan 8.290 nan 0.000 0.545 149 L N 0.014 121.046 121.223 -0.318 0.000 2.027 149 L HA -0.071 4.269 4.340 0.000 0.000 0.206 149 L C 2.618 178.938 176.870 -0.916 0.000 1.074 149 L CA 1.485 55.910 54.840 -0.693 0.000 0.745 149 L CB -0.310 41.228 42.059 -0.868 0.000 0.898 149 L HN 0.173 nan 8.230 nan 0.000 0.433 150 D N 0.243 120.296 120.400 -0.578 0.000 2.104 150 D HA -0.197 4.443 4.640 0.000 0.000 0.194 150 D C 2.167 178.434 176.300 -0.054 0.000 0.994 150 D CA 1.338 55.177 54.000 -0.268 0.000 0.830 150 D CB -0.003 40.728 40.800 -0.116 0.000 0.959 150 D HN 0.243 nan 8.370 nan 0.000 0.452 151 I N -0.572 119.970 120.570 -0.047 0.000 2.202 151 I HA -0.271 3.899 4.170 0.000 0.000 0.242 151 I C 2.103 178.283 176.117 0.105 0.000 1.091 151 I CA 0.841 62.160 61.300 0.031 0.000 1.368 151 I CB -0.295 37.726 38.000 0.035 0.000 1.058 151 I HN 0.088 nan 8.210 nan 0.000 0.410 152 Y N 0.876 121.190 120.300 0.022 0.000 2.097 152 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 152 Y C 2.301 178.421 175.900 0.366 0.000 1.152 152 Y CA 1.813 60.046 58.100 0.222 0.000 1.136 152 Y CB -0.268 38.232 38.460 0.066 0.000 0.975 152 Y HN 0.120 nan 8.280 nan 0.000 0.498 153 W N 0.650 122.141 121.300 0.319 0.000 2.321 153 W HA -0.218 4.442 4.660 0.000 0.000 0.306 153 W C 2.739 179.302 176.519 0.073 0.000 1.217 153 W CA 1.767 59.237 57.345 0.207 0.000 1.257 153 W CB -1.245 28.314 29.460 0.165 0.000 1.145 153 W HN 0.155 nan 8.180 nan 0.000 0.509 154 R N 0.425 121.093 120.500 0.280 0.000 2.057 154 R HA -0.130 4.210 4.340 0.000 0.000 0.229 154 R C 1.523 177.792 176.300 -0.051 0.000 1.136 154 R CA 1.959 58.122 56.100 0.105 0.000 0.952 154 R CB -0.497 29.850 30.300 0.079 0.000 0.848 154 R HN -0.090 nan 8.270 nan 0.000 0.430 155 D N -0.677 119.626 120.400 -0.162 0.000 2.312 155 D HA -0.078 4.562 4.640 0.000 0.000 0.211 155 D C 0.533 176.289 176.300 -0.907 0.000 0.964 155 D CA 0.895 54.614 54.000 -0.469 0.000 0.877 155 D CB 0.147 40.632 40.800 -0.525 0.000 0.924 155 D HN 0.237 nan 8.370 nan 0.000 0.515 156 F N -0.220 119.598 119.950 -0.220 0.000 2.661 156 F HA 0.240 4.767 4.527 0.000 0.000 0.306 156 F C 0.503 176.259 175.800 -0.074 0.000 1.094 156 F CA -0.804 57.060 58.000 -0.228 0.000 1.254 156 F CB 0.093 38.767 39.000 -0.544 0.000 1.040 156 F HN -0.182 nan 8.300 nan 0.000 0.562 157 L N 4.314 125.544 121.223 0.013 0.000 2.543 157 L HA 0.088 4.428 4.340 0.000 0.000 0.285 157 L C -1.400 175.482 176.870 0.019 0.000 1.236 157 L CA -0.639 54.224 54.840 0.038 0.000 0.871 157 L CB 0.258 42.319 42.059 0.004 0.000 1.121 157 L HN -0.110 nan 8.230 nan 0.000 0.501 158 P HA 0.029 nan 4.420 nan 0.000 0.249 158 P C 0.569 177.919 177.300 0.082 0.000 1.583 158 P CA -0.048 63.080 63.100 0.047 0.000 0.988 158 P CB 0.255 31.979 31.700 0.039 0.000 1.530 159 E N 0.763 121.041 120.200 0.130 0.000 2.097 159 E HA -0.120 4.230 4.350 0.000 0.000 0.196 159 E C 0.139 176.829 176.600 0.149 0.000 1.000 159 E CA 0.978 57.476 56.400 0.162 0.000 0.804 159 E CB -0.005 29.846 29.700 0.251 0.000 0.740 159 E HN 0.330 nan 8.360 nan 0.000 0.454 160 I N 1.584 122.249 120.570 0.159 0.000 2.499 160 I HA 0.222 4.392 4.170 0.000 0.000 0.288 160 I C -0.813 175.247 176.117 -0.094 0.000 1.048 160 I CA -0.859 60.479 61.300 0.063 0.000 1.062 160 I CB 2.107 40.206 38.000 0.167 0.000 1.238 160 I HN -0.027 nan 8.210 nan 0.000 0.426 161 I N 7.795 128.282 120.570 -0.138 0.000 2.347 161 I HA 0.300 4.470 4.170 0.000 0.000 0.283 161 I C -2.042 173.883 176.117 -0.320 0.000 1.058 161 I CA -2.371 58.816 61.300 -0.189 0.000 1.202 161 I CB 0.298 38.253 38.000 -0.075 0.000 1.386 161 I HN 0.243 nan 8.210 nan 0.000 0.475 162 P HA 0.172 nan 4.420 nan 0.000 0.271 162 P C 0.187 177.280 177.300 -0.345 0.000 1.218 162 P CA 0.028 62.729 63.100 -0.666 0.000 0.780 162 P CB 0.579 31.460 31.700 -1.364 0.000 0.901 163 T N -1.640 112.780 114.554 -0.224 0.000 2.810 163 T HA 0.114 4.464 4.350 0.000 0.000 0.277 163 T C 1.282 175.925 174.700 -0.096 0.000 0.973 163 T CA -0.416 61.598 62.100 -0.145 0.000 0.949 163 T CB 0.635 69.456 68.868 -0.079 0.000 1.075 163 T HN 0.494 nan 8.240 nan 0.000 0.537 164 Q N -0.184 119.558 119.800 -0.096 0.000 2.084 164 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 164 Q C 2.167 178.250 176.000 0.138 0.000 0.978 164 Q CA 1.859 57.630 55.803 -0.053 0.000 0.844 164 Q CB -0.156 28.529 28.738 -0.088 0.000 0.898 164 Q HN 0.898 nan 8.270 nan 0.000 0.426 165 E N -0.104 120.161 120.200 0.110 0.000 2.051 165 E HA -0.216 4.134 4.350 0.000 0.000 0.192 165 E C 2.017 178.720 176.600 0.172 0.000 0.991 165 E CA 1.370 57.858 56.400 0.148 0.000 0.799 165 E CB -0.073 29.689 29.700 0.103 0.000 0.748 165 E HN 0.435 nan 8.360 nan 0.000 0.449 166 M N -0.359 119.323 119.600 0.138 0.000 2.117 166 M HA -0.169 4.311 4.480 0.000 0.000 0.262 166 M C 2.204 178.721 176.300 0.362 0.000 1.065 166 M CA 1.500 56.922 55.300 0.204 0.000 1.114 166 M CB -0.408 32.240 32.600 0.079 0.000 1.361 166 M HN 0.250 nan 8.290 nan 0.000 0.408 167 Y N 1.253 121.661 120.300 0.180 0.000 2.128 167 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 167 Y C 1.902 177.973 175.900 0.285 0.000 1.154 167 Y CA 1.745 60.020 58.100 0.293 0.000 1.149 167 Y CB -0.290 38.263 38.460 0.155 0.000 0.976 167 Y HN 0.064 nan 8.280 nan 0.000 0.505 168 L N 0.305 121.758 121.223 0.384 0.000 2.042 168 L HA -0.280 4.061 4.340 0.000 0.000 0.210 168 L C 2.125 179.067 176.870 0.121 0.000 1.076 168 L CA 1.446 56.450 54.840 0.272 0.000 0.749 168 L CB -0.671 41.587 42.059 0.332 0.000 0.893 168 L HN 0.315 nan 8.230 nan 0.000 0.432 169 N N -0.395 118.388 118.700 0.138 0.000 2.188 169 N HA -0.188 4.553 4.740 0.000 0.000 0.184 169 N C 1.813 177.348 175.510 0.042 0.000 1.018 169 N CA 1.138 54.244 53.050 0.093 0.000 0.858 169 N CB -0.272 38.283 38.487 0.114 0.000 0.989 169 N HN 0.266 nan 8.380 nan 0.000 0.426 170 M N 0.874 120.503 119.600 0.048 0.000 2.117 170 M HA -0.068 4.412 4.480 0.000 0.000 0.262 170 M C 1.502 177.732 176.300 -0.117 0.000 1.065 170 M CA 1.200 56.459 55.300 -0.068 0.000 1.114 170 M CB -0.376 32.158 32.600 -0.110 0.000 1.361 170 M HN -0.122 nan 8.290 nan 0.000 0.408 171 V N 0.862 120.679 119.914 -0.163 0.000 2.407 171 V HA -0.290 3.830 4.120 0.000 0.000 0.248 171 V C 2.708 178.778 176.094 -0.040 0.000 1.055 171 V CA 1.344 63.566 62.300 -0.129 0.000 1.049 171 V CB -0.763 30.967 31.823 -0.156 0.000 0.662 171 V HN 0.460 nan 8.190 nan 0.000 0.455 172 M N -0.162 119.426 119.600 -0.020 0.000 2.149 172 M HA -0.146 4.334 4.480 0.000 0.000 0.261 172 M C 2.020 178.315 176.300 -0.008 0.000 1.064 172 M CA 1.605 56.903 55.300 -0.003 0.000 1.102 172 M CB -1.290 31.319 32.600 0.014 0.000 1.369 172 M HN 0.478 nan 8.290 nan 0.000 0.408 173 N N -0.359 118.326 118.700 -0.024 0.000 2.182 173 N HA -0.112 4.628 4.740 0.000 0.000 0.186 173 N C 1.757 177.242 175.510 -0.042 0.000 1.036 173 N CA 0.901 53.930 53.050 -0.035 0.000 0.850 173 N CB -0.071 38.384 38.487 -0.053 0.000 1.010 173 N HN 0.358 nan 8.380 nan 0.000 0.432 174 K N 0.720 121.086 120.400 -0.056 0.000 1.973 174 K HA -0.075 4.245 4.320 0.000 0.000 0.212 174 K C 1.756 178.360 176.600 0.006 0.000 1.047 174 K CA 1.740 57.995 56.287 -0.053 0.000 0.937 174 K CB -0.034 32.424 32.500 -0.069 0.000 0.721 174 K HN 0.075 nan 8.250 nan 0.000 0.440 175 T N -0.565 114.022 114.554 0.054 0.000 2.939 175 T HA 0.019 4.369 4.350 0.000 0.000 0.254 175 T C 1.812 176.649 174.700 0.228 0.000 1.041 175 T CA 0.848 63.046 62.100 0.163 0.000 1.142 175 T CB -0.289 68.703 68.868 0.207 0.000 0.874 175 T HN 0.478 nan 8.240 nan 0.000 0.452 176 G N 1.319 110.186 108.800 0.112 0.000 2.450 176 G HA2 -0.076 3.884 3.960 0.000 0.000 0.220 176 G HA3 -0.076 3.884 3.960 0.000 0.000 0.220 176 G C 1.688 176.664 174.900 0.126 0.000 1.130 176 G CA 0.971 46.135 45.100 0.105 0.000 0.760 176 G HN 0.551 nan 8.290 nan 0.000 0.557 177 G N 1.005 109.839 108.800 0.056 0.000 2.553 177 G HA2 -0.260 3.701 3.960 0.000 0.000 0.218 177 G HA3 -0.260 3.701 3.960 0.000 0.000 0.218 177 G C 1.742 176.634 174.900 -0.012 0.000 1.195 177 G CA 1.045 46.144 45.100 -0.002 0.000 0.779 177 G HN 0.408 nan 8.290 nan 0.000 0.577 178 L N -0.906 120.301 121.223 -0.025 0.000 2.156 178 L HA 0.218 4.558 4.340 0.000 0.000 0.208 178 L C 2.616 179.408 176.870 -0.131 0.000 1.095 178 L CA 0.718 55.489 54.840 -0.115 0.000 0.770 178 L CB -0.193 41.749 42.059 -0.194 0.000 0.914 178 L HN 0.218 nan 8.230 nan 0.000 0.439 179 F N -0.449 119.450 119.950 -0.086 0.000 2.113 179 F HA -0.181 4.347 4.527 0.000 0.000 0.297 179 F C 2.619 178.396 175.800 -0.038 0.000 1.103 179 F CA 1.377 59.332 58.000 -0.075 0.000 1.248 179 F CB -0.330 38.616 39.000 -0.090 0.000 0.999 179 F HN -0.110 nan 8.300 nan 0.000 0.475 180 R N -0.051 120.551 120.500 0.170 0.000 2.092 180 R HA -0.108 4.233 4.340 0.000 0.000 0.231 180 R C 2.258 178.587 176.300 0.049 0.000 1.119 180 R CA 1.018 57.175 56.100 0.094 0.000 0.970 180 R CB -0.709 29.628 30.300 0.061 0.000 0.864 180 R HN 0.334 nan 8.270 nan 0.000 0.440 181 L N 0.568 121.798 121.223 0.012 0.000 2.012 181 L HA -0.211 4.129 4.340 0.000 0.000 0.210 181 L C 1.976 178.852 176.870 0.010 0.000 1.073 181 L CA 1.663 56.495 54.840 -0.013 0.000 0.748 181 L CB -0.368 41.649 42.059 -0.070 0.000 0.891 181 L HN 0.170 nan 8.230 nan 0.000 0.431 182 T N 0.053 114.606 114.554 -0.001 0.000 2.674 182 T HA -0.230 4.120 4.350 0.000 0.000 0.265 182 T C 1.713 176.435 174.700 0.037 0.000 1.039 182 T CA 1.719 63.822 62.100 0.006 0.000 1.150 182 T CB -0.363 68.488 68.868 -0.029 0.000 0.864 182 T HN 0.234 nan 8.240 nan 0.000 0.427 183 L N 1.164 122.424 121.223 0.062 0.000 2.046 183 L HA -0.005 4.336 4.340 0.000 0.000 0.208 183 L C 2.487 179.394 176.870 0.062 0.000 1.077 183 L CA 1.687 56.576 54.840 0.080 0.000 0.747 183 L CB -0.428 41.705 42.059 0.122 0.000 0.896 183 L HN 0.083 nan 8.230 nan 0.000 0.432 184 R N -0.912 119.621 120.500 0.054 0.000 2.096 184 R HA -0.117 4.223 4.340 0.000 0.000 0.235 184 R C 2.254 178.576 176.300 0.037 0.000 1.127 184 R CA 1.581 57.708 56.100 0.044 0.000 0.968 184 R CB -0.507 29.815 30.300 0.036 0.000 0.861 184 R HN 0.386 nan 8.270 nan 0.000 0.440 185 L N 0.137 121.382 121.223 0.037 0.000 2.017 185 L HA -0.185 4.156 4.340 0.000 0.000 0.208 185 L C 2.563 179.452 176.870 0.032 0.000 1.073 185 L CA 1.402 56.263 54.840 0.035 0.000 0.745 185 L CB -0.360 41.725 42.059 0.042 0.000 0.894 185 L HN 0.228 nan 8.230 nan 0.000 0.432 186 M N -0.635 118.985 119.600 0.034 0.000 2.080 186 M HA -0.234 4.247 4.480 0.000 0.000 0.260 186 M C 2.173 178.489 176.300 0.026 0.000 1.068 186 M CA 1.787 57.105 55.300 0.029 0.000 1.109 186 M CB -0.439 32.181 32.600 0.033 0.000 1.342 186 M HN 0.200 nan 8.290 nan 0.000 0.405 187 E N 0.268 120.485 120.200 0.029 0.000 2.110 187 E HA -0.180 4.170 4.350 0.000 0.000 0.193 187 E C 2.055 178.668 176.600 0.022 0.000 0.988 187 E CA 1.290 57.703 56.400 0.023 0.000 0.804 187 E CB -0.170 29.548 29.700 0.029 0.000 0.745 187 E HN 0.526 nan 8.360 nan 0.000 0.458 188 A N 0.721 123.556 122.820 0.025 0.000 2.015 188 A HA -0.102 4.218 4.320 0.000 0.000 0.219 188 A C 2.058 179.656 177.584 0.024 0.000 1.163 188 A CA 0.920 52.971 52.037 0.024 0.000 0.646 188 A CB -0.277 18.737 19.000 0.025 0.000 0.806 188 A HN 0.133 nan 8.150 nan 0.000 0.448 189 L N -0.728 120.509 121.223 0.023 0.000 2.416 189 L HA 0.073 4.413 4.340 0.000 0.000 0.216 189 L C 1.398 178.278 176.870 0.017 0.000 1.098 189 L CA 0.065 54.919 54.840 0.023 0.000 0.840 189 L CB -0.105 41.969 42.059 0.024 0.000 0.981 189 L HN 0.329 nan 8.230 nan 0.000 0.462 190 S N 1.086 116.795 115.700 0.014 0.000 2.558 190 S HA 0.032 4.502 4.470 0.000 0.000 0.293 190 S C -0.992 173.611 174.600 0.006 0.000 1.292 190 S CA -0.987 57.218 58.200 0.008 0.000 1.063 190 S CB 0.647 63.849 63.200 0.003 0.000 0.831 190 S HN 0.097 nan 8.310 nan 0.000 0.499 191 P HA 0.131 nan 4.420 nan 0.000 0.234 191 P C 0.322 177.621 177.300 -0.001 0.000 1.175 191 P CA 0.020 63.121 63.100 0.003 0.000 0.801 191 P CB 0.088 31.790 31.700 0.002 0.000 0.891 197 H N -0.646 118.420 119.070 -0.007 0.000 2.913 197 H HA 0.411 4.967 4.556 0.000 0.000 0.365 197 H C 0.624 175.956 175.328 0.007 0.000 1.155 197 H CA 0.688 56.737 56.048 0.001 0.000 1.417 197 H CB 0.580 30.343 29.762 0.002 0.000 1.386 197 H HN 0.474 nan 8.280 nan 0.000 0.614 198 S N 0.480 116.273 115.700 0.155 0.000 2.568 198 S HA 0.014 4.484 4.470 0.000 0.000 0.282 198 S C 1.358 176.077 174.600 0.198 0.000 1.338 198 S CA -0.736 57.532 58.200 0.113 0.000 1.045 198 S CB -0.040 63.224 63.200 0.106 0.000 0.873 198 S HN 0.583 nan 8.310 nan 0.000 0.516 199 L N 5.078 126.376 121.223 0.126 0.000 2.611 199 L HA 0.089 4.430 4.340 0.000 0.000 0.229 199 L C 1.822 178.835 176.870 0.239 0.000 1.137 199 L CA -0.039 54.915 54.840 0.190 0.000 0.901 199 L CB -0.253 41.881 42.059 0.124 0.000 1.098 199 L HN 0.560 nan 8.230 nan 0.000 0.456 200 V N 1.201 121.216 119.914 0.168 0.000 2.287 200 V HA -0.191 3.929 4.120 0.000 0.000 0.248 200 V C -0.079 176.089 176.094 0.123 0.000 1.053 200 V CA 2.113 64.492 62.300 0.132 0.000 1.027 200 V CB -1.216 30.661 31.823 0.091 0.000 0.646 200 V HN 0.367 nan 8.190 nan 0.000 0.447 201 P HA -0.206 nan 4.420 nan 0.000 0.215 201 P C 1.747 179.112 177.300 0.108 0.000 1.157 201 P CA 1.570 64.726 63.100 0.094 0.000 0.868 201 P CB -0.161 31.588 31.700 0.081 0.000 0.788 202 F N -0.127 119.839 119.950 0.027 0.000 2.134 202 F HA -0.173 4.354 4.527 0.001 0.000 0.299 202 F C 1.942 177.736 175.800 -0.009 0.000 1.097 202 F CA 1.300 59.311 58.000 0.017 0.000 1.264 202 F CB -0.850 38.184 39.000 0.058 0.000 1.001 202 F HN -0.241 nan 8.300 nan 0.000 0.479 203 I N 0.874 121.433 120.570 -0.019 0.000 2.676 203 I HA -0.224 3.946 4.170 0.000 0.000 0.259 203 I C 1.885 177.846 176.117 -0.261 0.000 1.194 203 I CA 1.333 62.535 61.300 -0.163 0.000 1.473 203 I CB -0.864 37.204 38.000 0.114 0.000 1.096 203 I HN 0.213 nan 8.210 nan 0.000 0.443 204 N N -0.499 118.110 118.700 -0.151 0.000 2.216 204 N HA -0.169 4.572 4.740 0.000 0.000 0.183 204 N C 1.733 177.108 175.510 -0.226 0.000 1.017 204 N CA 0.827 53.788 53.050 -0.148 0.000 0.861 204 N CB -0.073 38.381 38.487 -0.054 0.000 0.986 204 N HN 0.198 nan 8.380 nan 0.000 0.428 205 L N 0.903 121.983 121.223 -0.238 0.000 2.056 205 L HA -0.015 4.326 4.340 0.000 0.000 0.207 205 L C 1.879 178.536 176.870 -0.355 0.000 1.078 205 L CA 1.240 55.936 54.840 -0.241 0.000 0.749 205 L CB -0.639 41.301 42.059 -0.197 0.000 0.901 205 L HN 0.150 nan 8.230 nan 0.000 0.433 206 L N -0.162 120.729 121.223 -0.554 0.000 2.046 206 L HA -0.025 4.315 4.340 0.000 0.000 0.208 206 L C 2.347 178.816 176.870 -0.668 0.000 1.077 206 L CA 2.070 56.562 54.840 -0.580 0.000 0.747 206 L CB -1.371 40.277 42.059 -0.684 0.000 0.896 206 L HN 0.325 nan 8.230 nan 0.000 0.432 207 G N -0.502 107.694 108.800 -1.006 0.000 2.422 207 G HA2 -0.247 3.714 3.960 0.000 0.000 0.218 207 G HA3 -0.247 3.714 3.960 0.000 0.000 0.218 207 G C 1.630 176.356 174.900 -0.291 0.000 1.146 207 G CA 1.177 45.636 45.100 -1.068 0.000 0.769 207 G HN 0.472 nan 8.290 nan 0.000 0.547 208 I N 0.275 120.720 120.570 -0.208 0.000 2.202 208 I HA -0.081 4.089 4.170 0.000 0.000 0.242 208 I C 2.636 178.726 176.117 -0.045 0.000 1.091 208 I CA 0.636 61.904 61.300 -0.053 0.000 1.368 208 I CB -0.166 37.820 38.000 -0.023 0.000 1.058 208 I HN 0.130 nan 8.210 nan 0.000 0.410 209 I N -0.122 120.383 120.570 -0.108 0.000 2.163 209 I HA -0.368 3.803 4.170 0.000 0.000 0.243 209 I C 2.626 178.703 176.117 -0.068 0.000 1.085 209 I CA 1.704 62.943 61.300 -0.102 0.000 1.347 209 I CB -0.493 37.432 38.000 -0.126 0.000 1.044 209 I HN 0.212 nan 8.210 nan 0.000 0.408 210 Y N 1.552 121.769 120.300 -0.137 0.000 2.081 210 Y HA -0.404 4.146 4.550 0.000 0.000 0.280 210 Y C 2.694 178.608 175.900 0.024 0.000 1.163 210 Y CA 2.364 60.439 58.100 -0.041 0.000 1.135 210 Y CB -0.357 38.095 38.460 -0.013 0.000 0.970 210 Y HN 0.145 nan 8.280 nan 0.000 0.498 211 Q N 0.452 120.294 119.800 0.070 0.000 2.079 211 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 211 Q C 2.107 178.123 176.000 0.027 0.000 0.974 211 Q CA 2.227 58.067 55.803 0.062 0.000 0.840 211 Q CB -0.467 28.392 28.738 0.201 0.000 0.898 211 Q HN 0.699 nan 8.270 nan 0.000 0.430 212 I N -0.220 120.354 120.570 0.007 0.000 2.315 212 I HA -0.214 3.956 4.170 0.000 0.000 0.248 212 I C 2.517 178.592 176.117 -0.069 0.000 1.117 212 I CA 1.085 62.343 61.300 -0.070 0.000 1.404 212 I CB -0.275 37.518 38.000 -0.344 0.000 1.071 212 I HN 0.197 nan 8.210 nan 0.000 0.419 213 R N 1.048 121.482 120.500 -0.110 0.000 2.092 213 R HA -0.225 4.116 4.340 0.000 0.000 0.231 213 R C 1.965 178.235 176.300 -0.050 0.000 1.119 213 R CA 2.068 58.129 56.100 -0.065 0.000 0.970 213 R CB -0.216 30.015 30.300 -0.116 0.000 0.864 213 R HN 0.288 nan 8.270 nan 0.000 0.440 214 D N 0.411 120.700 120.400 -0.185 0.000 2.084 214 D HA -0.185 4.455 4.640 0.000 0.000 0.194 214 D C 1.231 177.515 176.300 -0.027 0.000 0.990 214 D CA 1.826 55.723 54.000 -0.173 0.000 0.826 214 D CB -0.188 40.427 40.800 -0.308 0.000 0.971 214 D HN 0.197 nan 8.370 nan 0.000 0.453 215 D N -1.007 119.415 120.400 0.037 0.000 2.104 215 D HA -0.203 4.437 4.640 0.000 0.000 0.194 215 D C 1.768 178.124 176.300 0.094 0.000 0.994 215 D CA 0.933 54.989 54.000 0.094 0.000 0.830 215 D CB -0.650 40.251 40.800 0.169 0.000 0.959 215 D HN 0.364 nan 8.370 nan 0.000 0.452 216 Y N 1.221 121.506 120.300 -0.025 0.000 2.114 216 Y HA -0.135 4.416 4.550 0.001 0.000 0.284 216 Y C 2.149 178.027 175.900 -0.037 0.000 1.143 216 Y CA 1.381 59.462 58.100 -0.031 0.000 1.135 216 Y CB -0.469 37.958 38.460 -0.055 0.000 0.980 216 Y HN -0.073 nan 8.280 nan 0.000 0.499 217 L N 0.529 121.693 121.223 -0.098 0.000 2.201 217 L HA -0.221 4.119 4.340 0.000 0.000 0.212 217 L C 2.456 179.234 176.870 -0.154 0.000 1.105 217 L CA 1.272 55.995 54.840 -0.196 0.000 0.775 217 L CB -0.713 41.300 42.059 -0.076 0.000 0.913 217 L HN 0.407 nan 8.230 nan 0.000 0.440 218 N N 0.755 119.400 118.700 -0.092 0.000 2.223 218 N HA -0.172 4.569 4.740 0.000 0.000 0.185 218 N C 1.786 177.249 175.510 -0.079 0.000 1.016 218 N CA 1.303 54.318 53.050 -0.058 0.000 0.863 218 N CB 0.177 38.650 38.487 -0.024 0.000 0.983 218 N HN 0.368 nan 8.380 nan 0.000 0.429 219 L N 0.012 121.160 121.223 -0.125 0.000 2.221 219 L HA 0.036 4.376 4.340 0.000 0.000 0.202 219 L C 2.434 179.232 176.870 -0.119 0.000 1.074 219 L CA 0.427 55.201 54.840 -0.109 0.000 0.795 219 L CB -0.365 41.625 42.059 -0.114 0.000 0.960 219 L HN -0.036 nan 8.230 nan 0.000 0.458 220 K N 0.784 121.002 120.400 -0.304 0.000 2.097 220 K HA -0.169 4.151 4.320 0.000 0.000 0.206 220 K C 1.621 178.120 176.600 -0.168 0.000 1.049 220 K CA 1.497 57.585 56.287 -0.331 0.000 0.933 220 K CB -0.200 31.895 32.500 -0.675 0.000 0.717 220 K HN 0.162 nan 8.250 nan 0.000 0.442 221 D N -0.604 119.715 120.400 -0.134 0.000 2.117 221 D HA -0.164 4.477 4.640 0.000 0.000 0.197 221 D C 1.681 177.969 176.300 -0.020 0.000 0.987 221 D CA 0.960 54.911 54.000 -0.080 0.000 0.829 221 D CB -0.270 40.484 40.800 -0.076 0.000 0.961 221 D HN 0.202 nan 8.370 nan 0.000 0.460 222 F N 1.332 121.199 119.950 -0.137 0.000 2.146 222 F HA -0.128 4.399 4.527 0.000 0.000 0.298 222 F C 2.484 178.232 175.800 -0.087 0.000 1.096 222 F CA 1.308 59.244 58.000 -0.106 0.000 1.275 222 F CB -0.121 38.834 39.000 -0.075 0.000 1.008 222 F HN -0.130 nan 8.300 nan 0.000 0.480 223 Q N 0.317 120.178 119.800 0.101 0.000 2.135 223 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 223 Q C 0.826 176.775 176.000 -0.085 0.000 0.981 223 Q CA 1.130 56.935 55.803 0.002 0.000 0.856 223 Q CB -0.034 28.696 28.738 -0.014 0.000 0.902 223 Q HN 0.392 nan 8.270 nan 0.000 0.425 230 F N 0.958 121.005 119.950 0.162 0.000 2.660 230 F HA 0.551 5.078 4.527 0.001 0.000 0.302 230 F C 1.682 177.313 175.800 -0.281 0.000 1.103 230 F CA -0.091 58.007 58.000 0.164 0.000 1.340 230 F CB 0.098 39.148 39.000 0.082 0.000 1.048 230 F HN 1.205 nan 8.300 nan 0.000 0.551 231 A N 0.634 123.374 122.820 -0.133 0.000 2.687 231 A HA -0.342 3.979 4.320 0.000 0.000 0.299 231 A C 1.447 178.918 177.584 -0.188 0.000 1.497 231 A CA 0.961 52.810 52.037 -0.313 0.000 0.751 231 A CB -2.362 16.140 19.000 -0.830 0.000 1.048 231 A HN 0.460 nan 8.150 nan 0.000 0.464 232 E N 0.132 120.328 120.200 -0.007 0.000 2.338 232 E HA -0.091 4.259 4.350 0.000 0.000 0.197 232 E C 1.255 177.842 176.600 -0.022 0.000 1.007 232 E CA 1.390 57.793 56.400 0.005 0.000 0.849 232 E CB -0.045 29.700 29.700 0.074 0.000 0.774 232 E HN 0.690 nan 8.360 nan 0.000 0.506 233 D N -0.355 120.032 120.400 -0.021 0.000 2.218 233 D HA -0.130 4.510 4.640 0.000 0.000 0.204 233 D C 1.715 177.998 176.300 -0.030 0.000 0.976 233 D CA 0.755 54.751 54.000 -0.007 0.000 0.853 233 D CB -0.034 40.772 40.800 0.009 0.000 0.939 233 D HN 0.332 nan 8.370 nan 0.000 0.481 234 I N 0.496 121.023 120.570 -0.072 0.000 2.202 234 I HA -0.216 3.954 4.170 0.000 0.000 0.242 234 I C 2.162 178.240 176.117 -0.066 0.000 1.091 234 I CA 1.013 62.265 61.300 -0.079 0.000 1.368 234 I CB -0.423 37.501 38.000 -0.127 0.000 1.058 234 I HN -0.042 nan 8.210 nan 0.000 0.410 235 T N 0.381 114.890 114.554 -0.074 0.000 2.759 235 T HA -0.202 4.149 4.350 0.000 0.000 0.269 235 T C 1.607 176.281 174.700 -0.043 0.000 1.042 235 T CA 1.407 63.472 62.100 -0.058 0.000 1.140 235 T CB -0.286 68.546 68.868 -0.061 0.000 0.864 235 T HN 0.434 nan 8.240 nan 0.000 0.455 236 E N 0.010 120.190 120.200 -0.032 0.000 2.371 236 E HA 0.215 4.565 4.350 0.000 0.000 0.194 236 E C 1.582 178.171 176.600 -0.019 0.000 1.012 236 E CA 0.261 56.648 56.400 -0.021 0.000 0.860 236 E CB 0.009 29.706 29.700 -0.004 0.000 0.811 236 E HN 0.517 nan 8.360 nan 0.000 0.502 237 G N 2.642 111.430 108.800 -0.020 0.000 2.143 237 G HA2 -0.359 3.601 3.960 0.000 0.000 0.248 237 G HA3 -0.359 3.601 3.960 0.000 0.000 0.248 237 G C 0.212 175.121 174.900 0.015 0.000 0.991 237 G CA 0.454 45.545 45.100 -0.016 0.000 0.689 237 G HN 0.235 nan 8.290 nan 0.000 0.522 238 K N 0.225 120.645 120.400 0.033 0.000 2.489 238 K HA 0.253 4.573 4.320 0.000 0.000 0.278 238 K C 0.813 177.476 176.600 0.105 0.000 1.000 238 K CA -0.484 55.853 56.287 0.083 0.000 1.012 238 K CB 0.053 32.605 32.500 0.086 0.000 0.903 238 K HN 0.011 nan 8.250 nan 0.000 0.485 239 L N 5.349 126.681 121.223 0.181 0.000 2.423 239 L HA 0.054 4.394 4.340 0.000 0.000 0.249 239 L C 0.402 177.419 176.870 0.247 0.000 1.276 239 L CA 0.414 55.361 54.840 0.179 0.000 1.199 239 L CB -1.217 40.997 42.059 0.259 0.000 1.407 239 L HN 0.712 nan 8.230 nan 0.000 0.410 240 S N -0.338 115.457 115.700 0.158 0.000 2.608 240 S HA 0.092 4.562 4.470 0.000 0.000 0.261 240 S C 1.247 175.835 174.600 -0.019 0.000 1.314 240 S CA -0.384 57.925 58.200 0.182 0.000 0.992 240 S CB 0.722 63.989 63.200 0.113 0.000 0.935 240 S HN 0.383 nan 8.310 nan 0.000 0.564 241 F N 2.458 122.221 119.950 -0.313 0.000 2.095 241 F HA 0.070 4.597 4.527 0.000 0.000 0.298 241 F C -1.080 174.530 175.800 -0.317 0.000 1.104 241 F CA 1.442 59.033 58.000 -0.682 0.000 1.232 241 F CB -1.372 37.258 39.000 -0.617 0.000 0.987 241 F HN 0.470 nan 8.300 nan 0.000 0.475 242 P HA -0.172 nan 4.420 nan 0.000 0.217 242 P C 2.057 179.294 177.300 -0.105 0.000 1.150 242 P CA 1.384 64.471 63.100 -0.022 0.000 0.832 242 P CB -0.075 31.668 31.700 0.072 0.000 0.787 243 I N -1.033 119.478 120.570 -0.098 0.000 2.315 243 I HA -0.147 4.023 4.170 0.000 0.000 0.248 243 I C 2.181 178.196 176.117 -0.170 0.000 1.117 243 I CA 1.449 62.686 61.300 -0.105 0.000 1.404 243 I CB -1.126 36.836 38.000 -0.063 0.000 1.071 243 I HN -0.129 nan 8.210 nan 0.000 0.419 244 V N 0.668 120.435 119.914 -0.244 0.000 2.295 244 V HA -0.295 3.825 4.120 0.000 0.000 0.246 244 V C 2.619 178.498 176.094 -0.358 0.000 1.049 244 V CA 1.980 64.094 62.300 -0.309 0.000 1.024 244 V CB -1.007 30.578 31.823 -0.397 0.000 0.648 244 V HN 0.494 nan 8.190 nan 0.000 0.447 245 H N 0.793 119.526 119.070 -0.562 0.000 2.321 245 H HA -0.167 4.389 4.556 0.000 0.000 0.300 245 H C 2.237 177.378 175.328 -0.312 0.000 1.087 245 H CA 2.064 57.778 56.048 -0.556 0.000 1.319 245 H CB 0.012 29.336 29.762 -0.729 0.000 1.379 245 H HN 0.379 nan 8.280 nan 0.000 0.501 246 A N 1.330 124.041 122.820 -0.182 0.000 1.902 246 A HA -0.105 4.215 4.320 0.000 0.000 0.217 246 A C 2.896 180.421 177.584 -0.099 0.000 1.181 246 A CA 1.358 53.319 52.037 -0.126 0.000 0.623 246 A CB -0.881 18.075 19.000 -0.074 0.000 0.818 246 A HN 0.440 nan 8.150 nan 0.000 0.443 247 L N -0.349 120.787 121.223 -0.145 0.000 2.093 247 L HA -0.160 4.180 4.340 0.000 0.000 0.208 247 L C 2.280 179.142 176.870 -0.013 0.000 1.085 247 L CA 1.095 55.864 54.840 -0.119 0.000 0.755 247 L CB -0.477 41.461 42.059 -0.202 0.000 0.904 247 L HN 0.439 nan 8.230 nan 0.000 0.435 248 N N -0.447 118.174 118.700 -0.130 0.000 2.250 248 N HA -0.151 4.590 4.740 0.000 0.000 0.181 248 N C 1.815 177.241 175.510 -0.139 0.000 1.017 248 N CA 1.015 53.983 53.050 -0.136 0.000 0.866 248 N CB -0.098 38.266 38.487 -0.206 0.000 0.985 248 N HN 0.213 nan 8.380 nan 0.000 0.429 249 F N 2.675 122.386 119.950 -0.398 0.000 2.102 249 F HA -0.224 4.303 4.527 0.000 0.000 0.298 249 F C 2.638 178.335 175.800 -0.172 0.000 1.105 249 F CA 1.933 59.715 58.000 -0.363 0.000 1.239 249 F CB -0.596 38.095 39.000 -0.515 0.000 0.991 249 F HN 0.028 nan 8.300 nan 0.000 0.474 250 T N -1.652 112.990 114.554 0.147 0.000 2.746 250 T HA -0.214 4.136 4.350 0.000 0.000 0.267 250 T C 1.922 176.596 174.700 -0.043 0.000 1.039 250 T CA 1.454 63.612 62.100 0.096 0.000 1.142 250 T CB -0.492 68.501 68.868 0.207 0.000 0.866 250 T HN 0.156 nan 8.240 nan 0.000 0.444 251 K N 1.481 121.867 120.400 -0.023 0.000 2.009 251 K HA -0.070 4.250 4.320 0.000 0.000 0.210 251 K C 2.433 178.921 176.600 -0.187 0.000 1.049 251 K CA 2.137 58.321 56.287 -0.173 0.000 0.929 251 K CB -1.262 31.153 32.500 -0.142 0.000 0.714 251 K HN 0.374 nan 8.250 nan 0.000 0.440 252 T N 1.195 115.627 114.554 -0.203 0.000 2.720 252 T HA -0.078 4.272 4.350 0.000 0.000 0.268 252 T C 1.245 175.784 174.700 -0.269 0.000 1.037 252 T CA 1.450 63.412 62.100 -0.230 0.000 1.144 252 T CB -0.083 68.631 68.868 -0.256 0.000 0.864 252 T HN 0.191 nan 8.240 nan 0.000 0.444 253 K N 0.284 120.461 120.400 -0.371 0.000 2.404 253 K HA 0.257 4.577 4.320 0.000 0.000 0.194 253 K C 1.475 177.953 176.600 -0.204 0.000 1.023 253 K CA 0.500 56.580 56.287 -0.345 0.000 1.094 253 K CB 0.291 32.456 32.500 -0.558 0.000 0.841 253 K HN 0.462 nan 8.250 nan 0.000 0.523 254 G N 2.100 110.798 108.800 -0.170 0.000 2.143 254 G HA2 -0.303 3.658 3.960 0.000 0.000 0.248 254 G HA3 -0.303 3.658 3.960 0.000 0.000 0.248 254 G C -0.068 174.783 174.900 -0.082 0.000 0.991 254 G CA -0.036 44.992 45.100 -0.119 0.000 0.689 254 G HN 0.437 nan 8.290 nan 0.000 0.522 255 Q N 0.751 120.511 119.800 -0.067 0.000 3.026 255 Q HA 0.305 4.646 4.340 0.000 0.000 0.258 255 Q C 1.678 177.689 176.000 0.018 0.000 1.388 255 Q CA 0.346 56.148 55.803 -0.002 0.000 1.000 255 Q CB 0.057 28.827 28.738 0.053 0.000 1.634 255 Q HN 0.418 nan 8.270 nan 0.000 0.571 256 T N 0.802 115.348 114.554 -0.012 0.000 2.652 256 T HA -0.234 4.116 4.350 0.000 0.000 0.267 256 T C 1.621 176.348 174.700 0.046 0.000 1.039 256 T CA 1.726 63.821 62.100 -0.009 0.000 1.153 256 T CB 0.065 68.915 68.868 -0.029 0.000 0.863 256 T HN 0.513 nan 8.240 nan 0.000 0.428 257 E N 0.893 121.115 120.200 0.037 0.000 2.110 257 E HA -0.149 4.202 4.350 0.000 0.000 0.193 257 E C 2.254 178.889 176.600 0.059 0.000 0.988 257 E CA 1.268 57.693 56.400 0.043 0.000 0.804 257 E CB -0.149 29.568 29.700 0.029 0.000 0.745 257 E HN 0.448 nan 8.360 nan 0.000 0.458 258 Q N -1.280 118.563 119.800 0.071 0.000 2.119 258 Q HA -0.121 4.220 4.340 0.000 0.000 0.201 258 Q C 1.960 178.009 176.000 0.082 0.000 0.972 258 Q CA 1.725 57.572 55.803 0.073 0.000 0.847 258 Q CB -0.366 28.427 28.738 0.090 0.000 0.903 258 Q HN 0.548 nan 8.270 nan 0.000 0.433 259 H N 0.315 119.388 119.070 0.005 0.000 2.321 259 H HA -0.038 4.518 4.556 0.000 0.000 0.300 259 H C 1.408 176.728 175.328 -0.013 0.000 1.087 259 H CA 1.916 57.959 56.048 -0.010 0.000 1.319 259 H CB 0.053 29.800 29.762 -0.024 0.000 1.379 259 H HN 0.300 nan 8.280 nan 0.000 0.501 260 N N -0.713 118.086 118.700 0.165 0.000 2.244 260 N HA -0.146 4.595 4.740 0.000 0.000 0.183 260 N C 1.693 177.210 175.510 0.012 0.000 1.016 260 N CA 0.834 53.939 53.050 0.092 0.000 0.866 260 N CB 0.062 38.602 38.487 0.087 0.000 0.980 260 N HN 0.399 nan 8.380 nan 0.000 0.430 261 E N 1.450 121.658 120.200 0.012 0.000 2.107 261 E HA -0.016 4.335 4.350 0.000 0.000 0.191 261 E C 1.707 178.290 176.600 -0.028 0.000 0.982 261 E CA 0.717 57.116 56.400 -0.002 0.000 0.809 261 E CB -0.062 29.645 29.700 0.012 0.000 0.756 261 E HN 0.303 nan 8.360 nan 0.000 0.459 262 I N 0.282 120.820 120.570 -0.052 0.000 2.179 262 I HA -0.287 3.883 4.170 0.000 0.000 0.242 262 I C 2.230 178.289 176.117 -0.098 0.000 1.088 262 I CA 0.982 62.233 61.300 -0.081 0.000 1.357 262 I CB -0.275 37.654 38.000 -0.119 0.000 1.051 262 I HN 0.168 nan 8.210 nan 0.000 0.409 263 L N 0.072 121.217 121.223 -0.131 0.000 2.017 263 L HA -0.230 4.110 4.340 0.000 0.000 0.208 263 L C 2.789 179.624 176.870 -0.059 0.000 1.073 263 L CA 1.387 56.163 54.840 -0.107 0.000 0.745 263 L CB -0.661 41.334 42.059 -0.106 0.000 0.894 263 L HN 0.227 nan 8.230 nan 0.000 0.432 264 R N 0.614 121.090 120.500 -0.041 0.000 2.081 264 R HA -0.166 4.174 4.340 0.000 0.000 0.235 264 R C 2.290 178.572 176.300 -0.029 0.000 1.131 264 R CA 1.537 57.621 56.100 -0.026 0.000 0.960 264 R CB -0.203 30.089 30.300 -0.014 0.000 0.856 264 R HN 0.316 nan 8.270 nan 0.000 0.436 265 I N 0.674 121.225 120.570 -0.032 0.000 2.286 265 I HA -0.280 3.890 4.170 0.000 0.000 0.245 265 I C 2.166 178.260 176.117 -0.038 0.000 1.104 265 I CA 0.944 62.226 61.300 -0.030 0.000 1.397 265 I CB -0.153 37.831 38.000 -0.026 0.000 1.072 265 I HN 0.207 nan 8.210 nan 0.000 0.417 266 L N 0.228 121.423 121.223 -0.046 0.000 2.012 266 L HA -0.254 4.086 4.340 0.000 0.000 0.210 266 L C 2.458 179.301 176.870 -0.045 0.000 1.073 266 L CA 1.508 56.320 54.840 -0.046 0.000 0.748 266 L CB -0.595 41.435 42.059 -0.049 0.000 0.891 266 L HN 0.273 nan 8.230 nan 0.000 0.431 267 L N -0.611 120.585 121.223 -0.045 0.000 2.275 267 L HA -0.180 4.160 4.340 0.000 0.000 0.215 267 L C 2.355 179.199 176.870 -0.043 0.000 1.119 267 L CA 0.636 55.448 54.840 -0.047 0.000 0.790 267 L CB -0.323 41.711 42.059 -0.043 0.000 0.919 267 L HN 0.314 nan 8.230 nan 0.000 0.443 268 L N -0.610 120.592 121.223 -0.036 0.000 2.275 268 L HA -0.075 4.265 4.340 0.000 0.000 0.215 268 L C 0.695 177.544 176.870 -0.035 0.000 1.119 268 L CA 0.095 54.916 54.840 -0.032 0.000 0.790 268 L CB -0.277 41.767 42.059 -0.025 0.000 0.919 268 L HN 0.272 nan 8.230 nan 0.000 0.443 269 R N 0.547 121.023 120.500 -0.041 0.000 3.251 269 R HA -0.160 4.180 4.340 0.000 0.000 0.249 269 R C 0.288 176.565 176.300 -0.038 0.000 0.949 269 R CA 0.789 56.863 56.100 -0.042 0.000 0.645 269 R CB -2.865 27.409 30.300 -0.044 0.000 1.065 269 R HN 0.266 nan 8.270 nan 0.000 0.452 270 T N -1.475 113.057 114.554 -0.037 0.000 2.922 270 T HA 0.392 4.742 4.350 0.000 0.000 0.285 270 T C 0.993 175.672 174.700 -0.034 0.000 1.005 270 T CA -0.084 61.998 62.100 -0.030 0.000 1.061 270 T CB 1.054 69.909 68.868 -0.021 0.000 1.007 270 T HN 0.265 nan 8.240 nan 0.000 0.502 271 S N 2.223 117.910 115.700 -0.022 0.000 2.578 271 S HA 0.159 4.629 4.470 0.000 0.000 0.231 271 S C 0.219 174.830 174.600 0.019 0.000 0.994 271 S CA -0.492 57.698 58.200 -0.016 0.000 0.956 271 S CB 0.064 63.249 63.200 -0.024 0.000 0.870 271 S HN 0.819 nan 8.310 nan 0.000 0.494 272 D N 2.933 123.345 120.400 0.019 0.000 2.401 272 D HA -0.006 4.635 4.640 0.000 0.000 0.254 272 D C 1.125 177.477 176.300 0.086 0.000 1.192 272 D CA 0.251 54.279 54.000 0.047 0.000 0.885 272 D CB 0.881 41.700 40.800 0.032 0.000 1.147 272 D HN 0.361 nan 8.370 nan 0.000 0.478 273 K N 3.260 123.751 120.400 0.151 0.000 2.155 273 K HA -0.112 4.209 4.320 0.000 0.000 0.203 273 K C 0.852 177.603 176.600 0.252 0.000 1.052 273 K CA 0.834 57.302 56.287 0.302 0.000 0.948 273 K CB 0.284 32.993 32.500 0.349 0.000 0.728 273 K HN 0.290 nan 8.250 nan 0.000 0.448 274 D N 1.297 121.782 120.400 0.141 0.000 2.149 274 D HA -0.044 4.597 4.640 0.000 0.000 0.201 274 D C 2.064 178.421 176.300 0.094 0.000 0.972 274 D CA 1.023 55.088 54.000 0.108 0.000 0.835 274 D CB 0.030 40.870 40.800 0.067 0.000 0.966 274 D HN 0.286 nan 8.370 nan 0.000 0.476 275 I N 1.202 121.814 120.570 0.071 0.000 2.252 275 I HA -0.223 3.947 4.170 0.000 0.000 0.245 275 I C 2.365 178.505 176.117 0.038 0.000 1.102 275 I CA 1.018 62.343 61.300 0.042 0.000 1.385 275 I CB -0.067 37.946 38.000 0.021 0.000 1.064 275 I HN -0.115 nan 8.210 nan 0.000 0.414 276 K N 0.308 120.727 120.400 0.032 0.000 2.097 276 K HA -0.164 4.157 4.320 0.000 0.000 0.206 276 K C 2.078 178.716 176.600 0.063 0.000 1.049 276 K CA 1.051 57.318 56.287 -0.033 0.000 0.933 276 K CB -0.124 32.242 32.500 -0.224 0.000 0.717 276 K HN 0.207 nan 8.250 nan 0.000 0.442 277 L N 1.922 123.270 121.223 0.209 0.000 2.093 277 L HA -0.155 4.185 4.340 0.000 0.000 0.208 277 L C 2.315 179.263 176.870 0.130 0.000 1.085 277 L CA 1.683 56.662 54.840 0.232 0.000 0.755 277 L CB -0.648 41.547 42.059 0.225 0.000 0.904 277 L HN 0.183 nan 8.230 nan 0.000 0.435 278 K N -0.321 120.137 120.400 0.097 0.000 2.002 278 K HA -0.244 4.077 4.320 0.000 0.000 0.209 278 K C 2.179 178.818 176.600 0.064 0.000 1.048 278 K CA 1.589 57.922 56.287 0.076 0.000 0.930 278 K CB -0.241 32.292 32.500 0.054 0.000 0.714 278 K HN 0.164 nan 8.250 nan 0.000 0.438 279 L N 1.903 123.149 121.223 0.039 0.000 2.012 279 L HA -0.157 4.183 4.340 0.000 0.000 0.210 279 L C 2.088 178.967 176.870 0.015 0.000 1.073 279 L CA 1.650 56.499 54.840 0.015 0.000 0.748 279 L CB -0.417 41.633 42.059 -0.014 0.000 0.891 279 L HN 0.305 nan 8.230 nan 0.000 0.431 280 I N -0.743 119.842 120.570 0.024 0.000 2.286 280 I HA -0.285 3.885 4.170 0.000 0.000 0.248 280 I C 2.311 178.436 176.117 0.013 0.000 1.115 280 I CA 0.959 62.267 61.300 0.013 0.000 1.392 280 I CB -0.416 37.614 38.000 0.050 0.000 1.065 280 I HN 0.396 nan 8.210 nan 0.000 0.418 281 Q N 0.199 120.043 119.800 0.074 0.000 2.311 281 Q HA -0.012 4.328 4.340 0.000 0.000 0.203 281 Q C 2.291 178.398 176.000 0.178 0.000 0.954 281 Q CA 1.122 57.012 55.803 0.145 0.000 0.885 281 Q CB -0.003 28.912 28.738 0.294 0.000 0.963 281 Q HN 0.584 nan 8.270 nan 0.000 0.471 282 I N 0.150 120.784 120.570 0.107 0.000 2.252 282 I HA -0.265 3.905 4.170 0.000 0.000 0.245 282 I C 1.681 177.814 176.117 0.027 0.000 1.102 282 I CA 0.661 62.014 61.300 0.088 0.000 1.385 282 I CB -0.074 37.956 38.000 0.051 0.000 1.064 282 I HN 0.138 nan 8.210 nan 0.000 0.414 283 L N 0.421 121.634 121.223 -0.016 0.000 2.141 283 L HA -0.196 4.145 4.340 0.000 0.000 0.209 283 L C 2.372 179.168 176.870 -0.122 0.000 1.094 283 L CA 1.652 56.454 54.840 -0.064 0.000 0.763 283 L CB -0.825 41.202 42.059 -0.053 0.000 0.908 283 L HN 0.220 nan 8.230 nan 0.000 0.437 284 E N -0.795 119.293 120.200 -0.187 0.000 2.051 284 E HA -0.124 4.226 4.350 0.000 0.000 0.189 284 E C 1.925 178.235 176.600 -0.484 0.000 0.979 284 E CA 1.565 57.719 56.400 -0.411 0.000 0.803 284 E CB -0.163 29.124 29.700 -0.689 0.000 0.761 284 E HN 0.434 nan 8.360 nan 0.000 0.451 285 F N -0.386 119.554 119.950 -0.017 0.000 2.559 285 F HA 0.216 4.743 4.527 0.000 0.000 0.286 285 F C 2.108 177.901 175.800 -0.012 0.000 1.108 285 F CA 0.532 58.526 58.000 -0.010 0.000 1.436 285 F CB 0.247 39.249 39.000 0.003 0.000 1.130 285 F HN 0.085 nan 8.300 nan 0.000 0.584 286 D N 0.014 120.511 120.400 0.161 0.000 2.259 286 D HA -0.089 4.551 4.640 0.000 0.000 0.216 286 D C 1.825 178.124 176.300 -0.001 0.000 0.961 286 D CA 1.851 55.917 54.000 0.111 0.000 0.878 286 D CB 0.271 41.142 40.800 0.118 0.000 1.009 286 D HN 0.319 nan 8.370 nan 0.000 0.490 287 T N -2.799 111.649 114.554 -0.177 0.000 3.023 287 T HA 0.129 4.479 4.350 0.000 0.000 0.253 287 T C 0.608 174.921 174.700 -0.646 0.000 1.038 287 T CA 0.031 61.727 62.100 -0.672 0.000 0.962 287 T CB -0.044 68.559 68.868 -0.441 0.000 1.018 287 T HN 0.025 nan 8.240 nan 0.000 0.521 288 N N 0.930 119.453 118.700 -0.295 0.000 2.708 288 N HA -0.175 4.565 4.740 0.000 0.000 0.249 288 N C 0.893 176.279 175.510 -0.206 0.000 1.097 288 N CA 0.805 53.732 53.050 -0.204 0.000 0.710 288 N CB -1.507 36.894 38.487 -0.142 0.000 1.032 288 N HN 0.404 nan 8.380 nan 0.000 0.551 289 S N -0.751 114.831 115.700 -0.197 0.000 2.428 289 S HA 0.040 4.510 4.470 0.000 0.000 0.230 289 S C 1.761 176.304 174.600 -0.095 0.000 1.014 289 S CA 0.667 58.733 58.200 -0.224 0.000 0.957 289 S CB 0.143 63.324 63.200 -0.032 0.000 0.784 289 S HN 0.380 nan 8.310 nan 0.000 0.499 290 L N 0.984 122.187 121.223 -0.032 0.000 2.072 290 L HA -0.046 4.294 4.340 0.000 0.000 0.205 290 L C 2.805 179.732 176.870 0.094 0.000 1.079 290 L CA 1.133 56.035 54.840 0.104 0.000 0.752 290 L CB -0.715 41.375 42.059 0.051 0.000 0.906 290 L HN 0.304 nan 8.230 nan 0.000 0.436 291 A N -0.496 122.322 122.820 -0.003 0.000 1.902 291 A HA -0.289 4.031 4.320 0.000 0.000 0.217 291 A C 2.221 179.778 177.584 -0.045 0.000 1.181 291 A CA 1.535 53.557 52.037 -0.026 0.000 0.623 291 A CB -0.953 18.027 19.000 -0.034 0.000 0.818 291 A HN 0.462 nan 8.150 nan 0.000 0.443 292 Y N 1.262 121.442 120.300 -0.199 0.000 2.165 292 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 292 Y C 2.627 178.468 175.900 -0.099 0.000 1.155 292 Y CA 2.443 60.409 58.100 -0.223 0.000 1.164 292 Y CB -0.489 37.592 38.460 -0.631 0.000 0.978 292 Y HN 0.318 nan 8.280 nan 0.000 0.513 293 T N 0.353 114.944 114.554 0.062 0.000 2.812 293 T HA -0.151 4.199 4.350 0.000 0.000 0.264 293 T C 1.866 176.383 174.700 -0.303 0.000 1.042 293 T CA 1.466 63.583 62.100 0.027 0.000 1.140 293 T CB -0.236 68.725 68.868 0.155 0.000 0.870 293 T HN 0.268 nan 8.240 nan 0.000 0.445 294 K N 1.432 121.573 120.400 -0.432 0.000 2.032 294 K HA -0.148 4.172 4.320 0.000 0.000 0.209 294 K C 2.301 178.710 176.600 -0.319 0.000 1.048 294 K CA 1.414 57.358 56.287 -0.573 0.000 0.927 294 K CB -0.271 32.011 32.500 -0.362 0.000 0.712 294 K HN 0.314 nan 8.250 nan 0.000 0.441 295 N N -0.397 118.167 118.700 -0.228 0.000 2.166 295 N HA -0.185 4.555 4.740 0.000 0.000 0.186 295 N C 1.906 177.296 175.510 -0.199 0.000 1.019 295 N CA 0.923 53.855 53.050 -0.197 0.000 0.856 295 N CB -0.089 38.283 38.487 -0.190 0.000 0.993 295 N HN 0.179 nan 8.380 nan 0.000 0.426 296 F N 1.645 121.357 119.950 -0.397 0.000 2.102 296 F HA -0.052 4.475 4.527 0.001 0.000 0.298 296 F C 2.220 177.828 175.800 -0.320 0.000 1.105 296 F CA 1.074 58.855 58.000 -0.365 0.000 1.239 296 F CB -0.107 38.671 39.000 -0.370 0.000 0.991 296 F HN -0.007 nan 8.300 nan 0.000 0.474 297 I N 0.317 120.797 120.570 -0.151 0.000 2.127 297 I HA -0.394 3.777 4.170 0.000 0.000 0.241 297 I C 1.969 177.962 176.117 -0.207 0.000 1.075 297 I CA 2.083 63.259 61.300 -0.206 0.000 1.334 297 I CB -0.798 37.037 38.000 -0.275 0.000 1.040 297 I HN 0.207 nan 8.210 nan 0.000 0.405 298 N N 0.241 118.819 118.700 -0.203 0.000 2.061 298 N HA -0.270 4.471 4.740 0.000 0.000 0.193 298 N C 1.858 177.263 175.510 -0.174 0.000 1.030 298 N CA 1.295 54.245 53.050 -0.166 0.000 0.856 298 N CB -0.155 38.243 38.487 -0.148 0.000 1.023 298 N HN 0.425 nan 8.380 nan 0.000 0.424 299 Q N 0.442 120.108 119.800 -0.224 0.000 2.135 299 Q HA -0.107 4.234 4.340 0.000 0.000 0.204 299 Q C 2.083 177.933 176.000 -0.251 0.000 0.981 299 Q CA 0.956 56.611 55.803 -0.247 0.000 0.856 299 Q CB -0.055 28.475 28.738 -0.346 0.000 0.902 299 Q HN 0.462 nan 8.270 nan 0.000 0.425 300 L N -0.510 120.540 121.223 -0.287 0.000 2.072 300 L HA -0.134 4.206 4.340 0.000 0.000 0.205 300 L C 2.291 179.070 176.870 -0.151 0.000 1.079 300 L CA 0.585 55.284 54.840 -0.236 0.000 0.752 300 L CB -0.346 41.573 42.059 -0.234 0.000 0.906 300 L HN 0.082 nan 8.230 nan 0.000 0.436 301 V N 0.278 120.111 119.914 -0.135 0.000 2.427 301 V HA -0.239 3.881 4.120 0.000 0.000 0.248 301 V C 2.162 178.217 176.094 -0.064 0.000 1.051 301 V CA 1.590 63.837 62.300 -0.088 0.000 1.048 301 V CB -0.637 31.136 31.823 -0.085 0.000 0.666 301 V HN 0.484 nan 8.190 nan 0.000 0.456 302 N N -0.033 118.617 118.700 -0.083 0.000 2.244 302 N HA -0.093 4.647 4.740 0.000 0.000 0.183 302 N C 1.729 177.209 175.510 -0.051 0.000 1.016 302 N CA 1.290 54.302 53.050 -0.063 0.000 0.866 302 N CB -0.364 38.077 38.487 -0.076 0.000 0.980 302 N HN 0.436 nan 8.380 nan 0.000 0.430 303 M N -0.153 119.406 119.600 -0.068 0.000 2.346 303 M HA -0.086 4.394 4.480 0.000 0.000 0.263 303 M C 1.419 177.717 176.300 -0.004 0.000 1.064 303 M CA 1.158 56.429 55.300 -0.048 0.000 1.083 303 M CB -0.128 32.430 32.600 -0.070 0.000 1.399 303 M HN 0.123 nan 8.290 nan 0.000 0.435 304 I N -0.755 119.823 120.570 0.014 0.000 2.726 304 I HA -0.119 4.052 4.170 0.000 0.000 0.243 304 I C 1.944 178.093 176.117 0.054 0.000 1.082 304 I CA 0.444 61.789 61.300 0.074 0.000 1.447 304 I CB -0.375 37.704 38.000 0.132 0.000 1.250 304 I HN 0.044 nan 8.210 nan 0.000 0.453 305 K N 1.284 121.706 120.400 0.037 0.000 2.520 305 K HA -0.119 4.201 4.320 0.000 0.000 0.198 305 K C 0.050 176.658 176.600 0.013 0.000 1.045 305 K CA 0.797 57.100 56.287 0.026 0.000 0.934 305 K CB -0.311 32.196 32.500 0.011 0.000 0.766 305 K HN 0.351 nan 8.250 nan 0.000 0.483 330 L N 1.999 123.325 121.223 0.171 0.000 2.056 330 L HA 0.057 4.397 4.340 0.000 0.000 0.207 330 L C 2.143 179.135 176.870 0.204 0.000 1.078 330 L CA 1.654 56.614 54.840 0.200 0.000 0.749 330 L CB -0.487 41.670 42.059 0.163 0.000 0.901 330 L HN 0.108 nan 8.230 nan 0.000 0.433 331 L N -1.676 119.652 121.223 0.175 0.000 2.093 331 L HA -0.215 4.125 4.340 0.000 0.000 0.208 331 L C 2.540 179.520 176.870 0.184 0.000 1.085 331 L CA 1.468 56.395 54.840 0.145 0.000 0.755 331 L CB -0.883 41.245 42.059 0.116 0.000 0.904 331 L HN 0.370 nan 8.230 nan 0.000 0.435 332 Y N 1.186 121.570 120.300 0.140 0.000 2.097 332 Y HA -0.295 4.256 4.550 0.001 0.000 0.282 332 Y C 2.429 178.507 175.900 0.297 0.000 1.152 332 Y CA 1.663 59.898 58.100 0.225 0.000 1.136 332 Y CB -0.274 38.306 38.460 0.199 0.000 0.975 332 Y HN -0.017 nan 8.280 nan 0.000 0.498 333 I N 0.133 120.881 120.570 0.296 0.000 2.118 333 I HA -0.376 3.795 4.170 0.000 0.000 0.241 333 I C 2.326 178.515 176.117 0.119 0.000 1.070 333 I CA 2.024 63.457 61.300 0.222 0.000 1.327 333 I CB -0.553 37.611 38.000 0.272 0.000 1.034 333 I HN 0.260 nan 8.210 nan 0.000 0.405 334 I N 0.626 121.257 120.570 0.101 0.000 2.423 334 I HA -0.281 3.890 4.170 0.000 0.000 0.254 334 I C 1.586 177.681 176.117 -0.038 0.000 1.151 334 I CA 1.213 62.536 61.300 0.039 0.000 1.421 334 I CB -0.494 37.529 38.000 0.038 0.000 1.079 334 I HN 0.280 nan 8.210 nan 0.000 0.431 335 D N -0.806 119.533 120.400 -0.102 0.000 2.333 335 D HA -0.039 4.602 4.640 0.000 0.000 0.208 335 D C 1.355 177.385 176.300 -0.451 0.000 0.984 335 D CA 0.943 54.791 54.000 -0.254 0.000 0.873 335 D CB -0.027 40.596 40.800 -0.294 0.000 0.935 335 D HN 0.447 nan 8.370 nan 0.000 0.521 336 H N 0.176 119.130 119.070 -0.193 0.000 2.486 336 H HA 0.136 4.692 4.556 0.000 0.000 0.284 336 H C 1.525 176.749 175.328 -0.174 0.000 1.103 336 H CA -0.287 55.600 56.048 -0.268 0.000 1.089 336 H CB 0.810 30.369 29.762 -0.338 0.000 1.603 336 H HN 0.014 nan 8.280 nan 0.000 0.557 337 L N 1.496 122.721 121.223 0.002 0.000 2.083 337 L HA -0.151 4.189 4.340 0.000 0.000 0.209 337 L C 2.196 179.161 176.870 0.159 0.000 1.083 337 L CA 1.515 56.431 54.840 0.127 0.000 0.752 337 L CB -0.358 41.776 42.059 0.124 0.000 0.899 337 L HN 0.175 nan 8.230 nan 0.000 0.433 338 S N -0.837 114.862 115.700 -0.001 0.000 2.547 338 S HA -0.086 4.384 4.470 0.000 0.000 0.235 338 S C 1.232 175.824 174.600 -0.012 0.000 0.980 338 S CA 0.781 58.965 58.200 -0.027 0.000 0.941 338 S CB -0.570 62.574 63.200 -0.093 0.000 0.763 338 S HN 0.675 nan 8.310 nan 0.000 0.532 339 E N 0.929 121.054 120.200 -0.126 0.000 2.476 339 E HA 0.296 4.646 4.350 0.000 0.000 0.196 339 E C 0.462 177.014 176.600 -0.080 0.000 1.029 339 E CA -0.302 55.944 56.400 -0.258 0.000 0.896 339 E CB -0.131 29.042 29.700 -0.879 0.000 1.012 339 E HN 0.466 nan 8.360 nan 0.000 0.475 340 L N 0.000 121.272 121.223 0.082 0.000 2.949 340 L HA 0.000 4.340 4.340 0.000 0.000 0.249 340 L CA 0.000 54.865 54.840 0.041 0.000 0.813 340 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 340 L HN 0.000 nan 8.230 nan 0.000 0.502