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 1hqn_1_C DATA FIRST_RESID 14 DATA SEQUENCE ALRNQQAXAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSX VTDSPIKYGD VXNVIDAPAT IAAGATGELT DATA SEQUENCE XYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LXGYEYFTSR TE 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.584 177.584 -0.000 0.000 1.274 14 A CA 0.000 52.038 52.037 0.001 0.000 0.836 14 A CB 0.000 19.000 19.000 0.001 0.000 0.831 15 L N -0.148 121.075 121.223 -0.001 0.000 2.700 15 L HA 0.398 4.738 4.340 -0.000 0.000 0.240 15 L C 2.350 179.218 176.870 -0.003 0.000 1.162 15 L CA 2.705 57.544 54.840 -0.002 0.000 0.874 15 L CB -2.902 39.156 42.059 -0.002 0.000 1.001 15 L HN 1.692 nan 8.230 nan 0.000 0.447 16 R N -0.159 120.340 120.500 -0.002 0.000 2.148 16 R HA -0.094 4.246 4.340 -0.000 0.000 0.227 16 R C 2.180 178.477 176.300 -0.005 0.000 1.103 16 R CA 2.187 58.286 56.100 -0.002 0.000 0.983 16 R CB -2.147 28.152 30.300 -0.001 0.000 0.874 16 R HN 0.958 nan 8.270 nan 0.000 0.451 17 N N 0.309 119.006 118.700 -0.006 0.000 2.207 17 N HA -0.180 4.560 4.740 -0.000 0.000 0.182 17 N C 2.024 177.526 175.510 -0.013 0.000 1.020 17 N CA 1.266 54.310 53.050 -0.010 0.000 0.858 17 N CB -0.386 38.096 38.487 -0.009 0.000 0.991 17 N HN 0.731 nan 8.380 nan 0.000 0.427 18 Q N -0.915 118.879 119.800 -0.011 0.000 2.170 18 Q HA -0.184 4.156 4.340 -0.000 0.000 0.203 18 Q C 2.686 178.679 176.000 -0.011 0.000 0.976 18 Q CA 2.053 57.849 55.803 -0.012 0.000 0.858 18 Q CB -0.241 28.491 28.738 -0.008 0.000 0.907 18 Q HN 0.811 nan 8.270 nan 0.000 0.433 19 Q N 0.102 119.897 119.800 -0.008 0.000 2.123 19 Q HA 0.182 4.522 4.340 -0.000 0.000 0.199 19 Q C 1.188 177.183 176.000 -0.008 0.000 0.966 19 Q CA 0.986 56.785 55.803 -0.007 0.000 0.845 19 Q CB -0.646 28.090 28.738 -0.004 0.000 0.907 19 Q HN 0.588 nan 8.270 nan 0.000 0.439 23 A N 0.957 123.772 122.820 -0.009 0.000 1.930 23 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 23 A C 1.884 179.465 177.584 -0.006 0.000 1.175 23 A CA 2.033 54.067 52.037 -0.005 0.000 0.627 23 A CB -0.761 18.238 19.000 -0.003 0.000 0.815 23 A HN 0.654 nan 8.150 nan 0.000 0.443 24 N N -0.070 118.623 118.700 -0.013 0.000 2.106 24 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 24 N C 1.824 177.325 175.510 -0.016 0.000 1.029 24 N CA 1.744 54.784 53.050 -0.017 0.000 0.848 24 N CB -0.254 38.215 38.487 -0.031 0.000 1.007 24 N HN 0.319 nan 8.380 nan 0.000 0.423 25 L N 2.111 123.322 121.223 -0.020 0.000 2.012 25 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 25 L C 2.657 179.522 176.870 -0.008 0.000 1.073 25 L CA 1.789 56.619 54.840 -0.018 0.000 0.748 25 L CB -1.048 40.999 42.059 -0.019 0.000 0.891 25 L HN 0.316 nan 8.230 nan 0.000 0.431 26 Q N -1.031 118.766 119.800 -0.005 0.000 2.084 26 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 26 Q C 2.127 178.130 176.000 0.005 0.000 0.978 26 Q CA 1.785 57.589 55.803 0.000 0.000 0.844 26 Q CB -0.215 28.524 28.738 0.001 0.000 0.898 26 Q HN 0.647 nan 8.270 nan 0.000 0.426 27 A N 1.211 124.036 122.820 0.007 0.000 1.933 27 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 27 A C 2.115 179.709 177.584 0.018 0.000 1.175 27 A CA 1.514 53.560 52.037 0.016 0.000 0.628 27 A CB -0.665 18.346 19.000 0.019 0.000 0.814 27 A HN 0.421 nan 8.150 nan 0.000 0.444 28 R N -0.367 120.138 120.500 0.009 0.000 2.073 28 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 28 R C 2.341 178.648 176.300 0.011 0.000 1.134 28 R CA 1.872 57.977 56.100 0.009 0.000 0.952 28 R CB -0.350 29.948 30.300 -0.002 0.000 0.850 28 R HN 0.710 nan 8.270 nan 0.000 0.433 29 Q N 0.134 119.938 119.800 0.007 0.000 2.084 29 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 29 Q C 2.246 178.253 176.000 0.012 0.000 0.978 29 Q CA 1.778 57.585 55.803 0.007 0.000 0.844 29 Q CB -0.130 28.610 28.738 0.004 0.000 0.898 29 Q HN 0.436 nan 8.270 nan 0.000 0.426 30 I N 0.028 120.606 120.570 0.014 0.000 2.226 30 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 30 I C 2.206 178.339 176.117 0.027 0.000 1.100 30 I CA 0.806 62.117 61.300 0.018 0.000 1.374 30 I CB -0.224 37.787 38.000 0.017 0.000 1.057 30 I HN 0.048 nan 8.210 nan 0.000 0.413 31 V N 1.032 120.965 119.914 0.033 0.000 2.295 31 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 31 V C 2.352 178.469 176.094 0.037 0.000 1.049 31 V CA 1.646 63.973 62.300 0.045 0.000 1.024 31 V CB -0.439 31.415 31.823 0.051 0.000 0.648 31 V HN 0.372 nan 8.190 nan 0.000 0.447 32 L N -0.394 120.842 121.223 0.023 0.000 2.191 32 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 32 L C 2.524 179.402 176.870 0.012 0.000 1.103 32 L CA 1.407 56.253 54.840 0.010 0.000 0.769 32 L CB -0.388 41.672 42.059 0.001 0.000 0.908 32 L HN 0.378 nan 8.230 nan 0.000 0.438 33 Q N -0.736 119.076 119.800 0.020 0.000 2.204 33 Q HA -0.113 4.227 4.340 -0.000 0.000 0.198 33 Q C 2.166 178.190 176.000 0.040 0.000 0.946 33 Q CA 1.099 56.916 55.803 0.025 0.000 0.859 33 Q CB 0.222 28.971 28.738 0.018 0.000 0.946 33 Q HN 0.308 nan 8.270 nan 0.000 0.474 34 Q N -0.078 119.747 119.800 0.042 0.000 2.204 34 Q HA 0.134 4.474 4.340 -0.000 0.000 0.198 34 Q C 0.810 176.857 176.000 0.077 0.000 0.946 34 Q CA 0.840 56.673 55.803 0.050 0.000 0.859 34 Q CB -0.173 28.586 28.738 0.035 0.000 0.946 34 Q HN 0.387 nan 8.270 nan 0.000 0.474 35 S N -0.358 115.392 115.700 0.083 0.000 2.645 35 S HA 0.335 4.805 4.470 -0.000 0.000 0.266 35 S C -0.607 174.083 174.600 0.149 0.000 1.258 35 S CA -0.668 57.601 58.200 0.114 0.000 0.990 35 S CB 0.837 64.098 63.200 0.102 0.000 0.967 35 S HN 0.194 nan 8.310 nan 0.000 0.556 36 Y N 2.051 122.360 120.300 0.015 0.000 2.364 36 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 36 Y C -2.538 173.333 175.900 -0.049 0.000 0.975 36 Y CA -2.364 55.728 58.100 -0.014 0.000 1.089 36 Y CB 1.867 40.319 38.460 -0.013 0.000 1.192 36 Y HN 0.547 nan 8.280 nan 0.000 0.454 37 P HA 0.176 nan 4.420 nan 0.000 0.271 37 P C -1.268 175.770 177.300 -0.437 0.000 1.216 37 P CA 0.184 63.019 63.100 -0.441 0.000 0.776 37 P CB 1.842 33.282 31.700 -0.433 0.000 0.881 38 V N 4.726 124.375 119.914 -0.441 0.000 2.888 38 V HA 0.475 4.595 4.120 -0.000 0.000 0.309 38 V C -0.044 175.804 176.094 -0.411 0.000 1.114 38 V CA -0.728 61.302 62.300 -0.450 0.000 0.940 38 V CB 2.501 33.910 31.823 -0.689 0.000 1.021 38 V HN 0.534 nan 8.190 nan 0.000 0.426 39 I N 4.294 124.773 120.570 -0.151 0.000 2.478 39 I HA 0.639 4.809 4.170 -0.000 0.000 0.287 39 I C -0.842 175.373 176.117 0.163 0.000 1.042 39 I CA -0.099 61.219 61.300 0.030 0.000 1.067 39 I CB 1.603 39.627 38.000 0.041 0.000 1.233 39 I HN 0.934 nan 8.210 nan 0.000 0.431 40 Q N 6.050 126.033 119.800 0.306 0.000 2.379 40 Q HA 0.384 4.724 4.340 -0.000 0.000 0.278 40 Q C -1.365 174.855 176.000 0.368 0.000 1.068 40 Q CA -0.924 55.088 55.803 0.349 0.000 0.816 40 Q CB 1.954 30.867 28.738 0.291 0.000 1.387 40 Q HN 0.662 nan 8.270 nan 0.000 0.413 41 Q N 1.164 121.111 119.800 0.244 0.000 2.361 41 Q HA 0.070 4.410 4.340 -0.000 0.000 0.276 41 Q C -0.469 175.546 176.000 0.026 0.000 1.022 41 Q CA 0.198 55.943 55.803 -0.097 0.000 0.898 41 Q CB 1.140 29.753 28.738 -0.208 0.000 1.246 41 Q HN 0.724 nan 8.270 nan 0.000 0.410 42 V N 2.781 122.702 119.914 0.011 0.000 3.048 42 V HA 0.102 4.222 4.120 -0.000 0.000 0.241 42 V C 0.039 176.154 176.094 0.035 0.000 1.129 42 V CA 1.331 63.676 62.300 0.075 0.000 1.128 42 V CB 0.177 32.086 31.823 0.142 0.000 0.849 42 V HN 0.958 nan 8.190 nan 0.000 0.475 43 E N -1.379 118.822 120.200 0.002 0.000 2.393 43 E HA 0.334 4.684 4.350 -0.000 0.000 0.282 43 E C -1.555 175.003 176.600 -0.070 0.000 1.096 43 E CA -0.563 55.832 56.400 -0.008 0.000 0.866 43 E CB 1.498 31.230 29.700 0.054 0.000 1.232 43 E HN 0.014 nan 8.360 nan 0.000 0.431 44 T N 1.548 116.001 114.554 -0.168 0.000 2.893 44 T HA 0.590 4.940 4.350 -0.000 0.000 0.291 44 T C -1.321 173.105 174.700 -0.456 0.000 1.028 44 T CA -0.627 61.276 62.100 -0.328 0.000 0.995 44 T CB 1.739 70.477 68.868 -0.216 0.000 1.051 44 T HN 0.517 nan 8.240 nan 0.000 0.470 45 Q N 0.726 120.059 119.800 -0.778 0.000 2.320 45 Q HA 0.575 4.915 4.340 -0.000 0.000 0.272 45 Q C -1.688 174.042 176.000 -0.451 0.000 1.023 45 Q CA -0.465 54.972 55.803 -0.609 0.000 0.855 45 Q CB 2.019 30.257 28.738 -0.834 0.000 1.367 45 Q HN 0.649 nan 8.270 nan 0.000 0.406 46 T N 4.134 118.576 114.554 -0.186 0.000 2.824 46 T HA 0.818 5.168 4.350 -0.000 0.000 0.282 46 T C -1.288 173.419 174.700 0.012 0.000 0.993 46 T CA -0.353 61.640 62.100 -0.178 0.000 0.967 46 T CB 0.320 69.095 68.868 -0.156 0.000 0.960 46 T HN 0.473 nan 8.240 nan 0.000 0.441 47 F N -0.203 119.662 119.950 -0.143 0.000 2.779 47 F HA 0.706 5.233 4.527 -0.000 0.000 0.316 47 F C -1.591 174.189 175.800 -0.033 0.000 1.164 47 F CA -1.355 56.621 58.000 -0.039 0.000 0.924 47 F CB 1.056 40.102 39.000 0.077 0.000 1.348 47 F HN 0.300 nan 8.300 nan 0.000 0.467 48 D N 2.486 123.007 120.400 0.202 0.000 2.349 48 D HA 0.350 4.990 4.640 -0.000 0.000 0.232 48 D C -1.838 174.639 176.300 0.294 0.000 1.071 48 D CA -2.493 51.576 54.000 0.114 0.000 0.832 48 D CB 2.223 43.093 40.800 0.117 0.000 1.086 48 D HN 0.332 nan 8.370 nan 0.000 0.504 49 P HA -0.116 nan 4.420 nan 0.000 0.223 49 P C 0.947 178.360 177.300 0.189 0.000 1.144 49 P CA 0.524 63.777 63.100 0.255 0.000 0.783 49 P CB 0.299 31.965 31.700 -0.056 0.000 0.771 50 A N 0.048 122.974 122.820 0.176 0.000 2.014 50 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 50 A C 2.117 179.769 177.584 0.114 0.000 1.163 50 A CA 1.318 53.443 52.037 0.148 0.000 0.652 50 A CB -0.838 18.249 19.000 0.145 0.000 0.808 50 A HN 0.148 nan 8.150 nan 0.000 0.449 51 N N -1.095 117.681 118.700 0.127 0.000 2.278 51 N HA 0.065 4.804 4.740 -0.000 0.000 0.181 51 N C 0.822 176.357 175.510 0.041 0.000 1.023 51 N CA 0.706 53.807 53.050 0.085 0.000 0.862 51 N CB 0.069 38.615 38.487 0.099 0.000 1.003 51 N HN 0.528 nan 8.380 nan 0.000 0.431 52 R N -0.392 120.145 120.500 0.062 0.000 2.594 52 R HA 0.267 4.607 4.340 -0.000 0.000 0.265 52 R C -0.720 175.539 176.300 -0.069 0.000 1.070 52 R CA -0.066 55.972 56.100 -0.103 0.000 0.909 52 R CB 0.975 31.098 30.300 -0.295 0.000 1.243 52 R HN 0.101 nan 8.270 nan 0.000 0.455 53 S N 0.704 116.338 115.700 -0.110 0.000 2.817 53 S HA 0.208 4.678 4.470 -0.000 0.000 0.262 53 S C -0.434 174.246 174.600 0.134 0.000 1.051 53 S CA -0.261 58.008 58.200 0.115 0.000 1.185 53 S CB 0.848 64.151 63.200 0.172 0.000 1.152 53 S HN 0.158 nan 8.310 nan 0.000 0.653 54 V N 2.817 122.604 119.914 -0.212 0.000 2.448 54 V HA 0.664 4.784 4.120 -0.000 0.000 0.295 54 V C -1.375 174.445 176.094 -0.456 0.000 1.025 54 V CA -0.504 61.697 62.300 -0.166 0.000 0.859 54 V CB 0.989 32.714 31.823 -0.163 0.000 0.988 54 V HN 0.411 nan 8.190 nan 0.000 0.431 55 F N 1.610 121.508 119.950 -0.087 0.000 2.565 55 F HA 0.535 5.062 4.527 -0.000 0.000 0.313 55 F C -0.195 175.540 175.800 -0.109 0.000 1.091 55 F CA -0.992 56.958 58.000 -0.082 0.000 0.915 55 F CB 1.938 40.927 39.000 -0.019 0.000 1.208 55 F HN 0.387 nan 8.300 nan 0.000 0.453 56 D N 1.962 122.403 120.400 0.068 0.000 2.427 56 D HA 0.473 5.113 4.640 -0.000 0.000 0.226 56 D C -0.852 175.458 176.300 0.017 0.000 1.076 56 D CA -0.055 53.940 54.000 -0.009 0.000 0.849 56 D CB 1.552 42.319 40.800 -0.055 0.000 1.052 56 D HN 0.106 nan 8.370 nan 0.000 0.515 57 V N 2.515 122.411 119.914 -0.029 0.000 2.465 57 V HA 0.320 4.440 4.120 -0.000 0.000 0.279 57 V C 0.568 176.626 176.094 -0.061 0.000 1.045 57 V CA -0.391 61.895 62.300 -0.024 0.000 0.938 57 V CB 1.646 33.421 31.823 -0.081 0.000 0.986 57 V HN 0.505 nan 8.190 nan 0.000 0.467 58 T N 6.990 121.532 114.554 -0.020 0.000 2.929 58 T HA 0.341 4.691 4.350 -0.000 0.000 0.331 58 T C -2.306 172.401 174.700 0.012 0.000 1.120 58 T CA -0.889 61.197 62.100 -0.023 0.000 0.973 58 T CB 0.823 69.683 68.868 -0.013 0.000 1.036 58 T HN 0.482 nan 8.240 nan 0.000 0.502 59 P HA 0.285 nan 4.420 nan 0.000 0.269 59 P C -0.554 176.806 177.300 0.100 0.000 1.217 59 P CA -0.397 62.790 63.100 0.145 0.000 0.783 59 P CB 0.461 32.352 31.700 0.318 0.000 0.898 60 A N 2.008 124.882 122.820 0.090 0.000 2.354 60 A HA 0.188 4.508 4.320 -0.000 0.000 0.269 60 A C 0.090 177.651 177.584 -0.038 0.000 1.109 60 A CA -0.438 51.606 52.037 0.011 0.000 0.800 60 A CB -0.345 18.648 19.000 -0.012 0.000 1.045 60 A HN 0.583 nan 8.150 nan 0.000 0.489 61 N N 1.173 119.845 118.700 -0.046 0.000 2.482 61 N HA 0.413 5.152 4.740 -0.000 0.000 0.242 61 N C -1.326 174.109 175.510 -0.125 0.000 1.100 61 N CA -0.109 52.903 53.050 -0.063 0.000 0.946 61 N CB 0.669 39.136 38.487 -0.033 0.000 1.227 61 N HN 0.359 nan 8.380 nan 0.000 0.508 62 V N 1.099 120.876 119.914 -0.229 0.000 2.777 62 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 62 V C 0.903 176.847 176.094 -0.249 0.000 1.112 62 V CA -0.723 61.401 62.300 -0.293 0.000 0.917 62 V CB 1.340 32.836 31.823 -0.546 0.000 1.018 62 V HN 0.847 nan 8.190 nan 0.000 0.426 63 G N 4.664 113.424 108.800 -0.066 0.000 2.602 63 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.317 63 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.317 63 G C -0.053 174.868 174.900 0.035 0.000 1.327 63 G CA 0.653 45.779 45.100 0.044 0.000 0.971 63 G HN 0.856 nan 8.290 nan 0.000 0.540 64 I N 0.701 121.332 120.570 0.102 0.000 2.304 64 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 64 I C 0.417 176.591 176.117 0.096 0.000 1.018 64 I CA -0.651 60.696 61.300 0.077 0.000 1.260 64 I CB 1.459 39.506 38.000 0.078 0.000 1.390 64 I HN 0.268 nan 8.210 nan 0.000 0.475 65 V N 7.790 127.722 119.914 0.030 0.000 2.461 65 V HA 0.156 4.276 4.120 -0.000 0.000 0.275 65 V C 0.960 177.000 176.094 -0.090 0.000 1.047 65 V CA -0.222 62.055 62.300 -0.038 0.000 0.955 65 V CB 1.119 32.874 31.823 -0.114 0.000 0.988 65 V HN 0.756 nan 8.190 nan 0.000 0.471 66 K N 2.959 123.304 120.400 -0.091 0.000 2.335 66 K HA 0.467 4.787 4.320 -0.000 0.000 0.195 66 K C 0.789 177.303 176.600 -0.143 0.000 1.058 66 K CA 0.674 56.947 56.287 -0.023 0.000 0.988 66 K CB 0.817 33.386 32.500 0.115 0.000 0.880 66 K HN 0.903 nan 8.250 nan 0.000 0.513 67 G N 0.323 108.824 108.800 -0.499 0.000 2.324 67 G HA2 0.346 4.306 3.960 -0.000 0.000 0.293 67 G HA3 0.346 4.306 3.960 -0.000 0.000 0.293 67 G C -1.995 172.127 174.900 -1.296 0.000 1.297 67 G CA -1.036 43.460 45.100 -1.006 0.000 0.853 67 G HN -0.005 nan 8.290 nan 0.000 0.535 68 F N -0.480 118.930 119.950 -0.898 0.000 2.547 68 F HA 0.658 5.185 4.527 -0.000 0.000 0.316 68 F C -0.191 175.498 175.800 -0.185 0.000 1.121 68 F CA -0.848 56.941 58.000 -0.351 0.000 0.911 68 F CB 2.334 41.223 39.000 -0.185 0.000 1.179 68 F HN 0.418 nan 8.300 nan 0.000 0.443 69 L N 4.488 125.976 121.223 0.442 0.000 2.257 69 L HA 0.682 5.022 4.340 -0.000 0.000 0.290 69 L C -1.003 176.205 176.870 0.563 0.000 1.044 69 L CA -0.474 54.751 54.840 0.642 0.000 0.810 69 L CB 1.031 43.505 42.059 0.692 0.000 1.193 69 L HN 0.408 nan 8.230 nan 0.000 0.425 70 V N 5.799 126.005 119.914 0.487 0.000 2.328 70 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 70 V C 0.104 176.382 176.094 0.306 0.000 1.021 70 V CA -0.788 61.736 62.300 0.373 0.000 0.838 70 V CB 1.100 33.072 31.823 0.250 0.000 0.999 70 V HN 0.725 nan 8.190 nan 0.000 0.447 71 K N 4.455 124.955 120.400 0.167 0.000 2.227 71 K HA 0.668 4.988 4.320 -0.000 0.000 0.280 71 K C -1.316 175.261 176.600 -0.038 0.000 1.041 71 K CA -0.349 55.764 56.287 -0.290 0.000 0.905 71 K CB 1.462 33.825 32.500 -0.227 0.000 1.068 71 K HN 0.488 nan 8.250 nan 0.000 0.470 72 V N 3.709 123.576 119.914 -0.078 0.000 2.577 72 V HA 0.340 4.460 4.120 -0.000 0.000 0.303 72 V C -0.351 175.755 176.094 0.019 0.000 1.042 72 V CA -0.827 61.533 62.300 0.101 0.000 0.872 72 V CB 1.656 33.673 31.823 0.322 0.000 0.998 72 V HN 1.016 nan 8.190 nan 0.000 0.423 73 T N 1.428 115.981 114.554 -0.002 0.000 2.908 73 T HA 0.970 5.320 4.350 -0.000 0.000 0.290 73 T C -0.469 174.229 174.700 -0.004 0.000 1.034 73 T CA -0.448 61.653 62.100 0.002 0.000 1.010 73 T CB 2.335 71.192 68.868 -0.017 0.000 1.068 73 T HN 1.390 nan 8.240 nan 0.000 0.481 74 A N 0.593 123.449 122.820 0.059 0.000 2.612 74 A HA 0.919 5.239 4.320 -0.000 0.000 0.293 74 A C -1.104 176.558 177.584 0.129 0.000 1.075 74 A CA -0.776 51.328 52.037 0.111 0.000 0.680 74 A CB 1.191 20.366 19.000 0.291 0.000 1.279 74 A HN 1.735 nan 8.150 nan 0.000 0.411 75 A N 1.121 124.026 122.820 0.142 0.000 2.335 75 A HA 0.759 5.079 4.320 -0.000 0.000 0.304 75 A C -0.887 176.759 177.584 0.104 0.000 1.118 75 A CA -0.268 51.823 52.037 0.091 0.000 0.757 75 A CB 0.414 19.441 19.000 0.045 0.000 1.188 75 A HN 0.749 nan 8.150 nan 0.000 0.460 76 I N 1.844 122.425 120.570 0.018 0.000 2.465 76 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 76 I C -0.337 175.696 176.117 -0.139 0.000 1.014 76 I CA -0.363 60.885 61.300 -0.087 0.000 1.093 76 I CB 2.588 40.499 38.000 -0.148 0.000 1.267 76 I HN 0.550 nan 8.210 nan 0.000 0.431 77 T N 3.999 118.457 114.554 -0.159 0.000 2.792 77 T HA 0.240 4.590 4.350 -0.000 0.000 0.280 77 T C -0.274 174.277 174.700 -0.248 0.000 0.990 77 T CA -0.589 61.413 62.100 -0.164 0.000 0.960 77 T CB 1.078 69.890 68.868 -0.094 0.000 0.939 77 T HN 0.417 nan 8.240 nan 0.000 0.439 78 N N 2.951 121.508 118.700 -0.239 0.000 2.462 78 N HA 0.163 4.903 4.740 -0.000 0.000 0.242 78 N C 0.083 175.509 175.510 -0.141 0.000 1.010 78 N CA -0.462 52.440 53.050 -0.247 0.000 0.939 78 N CB 0.341 38.686 38.487 -0.237 0.000 1.127 78 N HN 0.359 nan 8.380 nan 0.000 0.509 79 N N 1.563 120.189 118.700 -0.124 0.000 2.276 79 N HA -0.036 4.703 4.740 -0.000 0.000 0.212 79 N C -0.332 175.144 175.510 -0.057 0.000 1.127 79 N CA -0.105 52.897 53.050 -0.080 0.000 0.834 79 N CB -0.210 38.230 38.487 -0.079 0.000 1.014 79 N HN 0.659 nan 8.380 nan 0.000 0.491 80 H N 0.070 119.072 119.070 -0.113 0.000 2.757 80 H HA 0.247 4.803 4.556 -0.000 0.000 0.370 80 H C 1.259 176.547 175.328 -0.066 0.000 1.172 80 H CA 0.422 56.418 56.048 -0.086 0.000 1.426 80 H CB 1.126 30.834 29.762 -0.090 0.000 1.438 80 H HN 0.112 nan 8.280 nan 0.000 0.612 81 A N 2.070 124.673 122.820 -0.362 0.000 1.929 81 A HA -0.074 4.245 4.320 -0.000 0.000 0.216 81 A C 1.851 179.462 177.584 0.045 0.000 1.176 81 A CA 1.977 53.930 52.037 -0.140 0.000 0.628 81 A CB -0.463 18.415 19.000 -0.205 0.000 0.816 81 A HN 0.875 nan 8.150 nan 0.000 0.444 82 T N -4.966 109.759 114.554 0.286 0.000 3.168 82 T HA 0.156 4.506 4.350 -0.000 0.000 0.261 82 T C 0.188 174.961 174.700 0.121 0.000 0.931 82 T CA -0.226 61.981 62.100 0.178 0.000 0.949 82 T CB -0.061 68.879 68.868 0.121 0.000 1.229 82 T HN 0.131 nan 8.240 nan 0.000 0.504 83 E N 2.207 122.455 120.200 0.079 0.000 2.354 83 E HA 0.695 5.044 4.350 -0.000 0.000 0.269 83 E C -0.010 176.489 176.600 -0.169 0.000 1.036 83 E CA -0.127 56.150 56.400 -0.205 0.000 0.876 83 E CB 1.444 30.824 29.700 -0.533 0.000 1.009 83 E HN 0.641 nan 8.360 nan 0.000 0.416 84 A N 2.124 124.873 122.820 -0.117 0.000 2.247 84 A HA 0.701 5.020 4.320 -0.000 0.000 0.313 84 A C -0.161 177.364 177.584 -0.097 0.000 1.109 84 A CA -0.558 51.422 52.037 -0.095 0.000 0.890 84 A CB 0.861 19.829 19.000 -0.054 0.000 1.239 84 A HN 0.412 nan 8.150 nan 0.000 0.506 85 V N -3.899 115.970 119.914 -0.074 0.000 3.040 85 V HA 0.947 5.067 4.120 -0.000 0.000 0.312 85 V C -0.203 175.963 176.094 0.120 0.000 1.115 85 V CA -0.347 61.953 62.300 -0.000 0.000 0.998 85 V CB 1.140 32.944 31.823 -0.032 0.000 1.042 85 V HN 1.859 nan 8.190 nan 0.000 0.433 86 A N 2.782 125.728 122.820 0.210 0.000 2.401 86 A HA 0.840 5.160 4.320 -0.000 0.000 0.310 86 A C -0.549 177.164 177.584 0.214 0.000 1.075 86 A CA -0.956 51.221 52.037 0.233 0.000 0.746 86 A CB 1.431 20.490 19.000 0.099 0.000 1.277 86 A HN 1.080 nan 8.150 nan 0.000 0.425 87 L N 1.911 123.161 121.223 0.045 0.000 2.514 87 L HA 0.144 4.484 4.340 -0.000 0.000 0.280 87 L C 1.464 178.251 176.870 -0.139 0.000 1.223 87 L CA 0.111 54.777 54.840 -0.291 0.000 0.864 87 L CB 0.513 42.411 42.059 -0.268 0.000 1.118 87 L HN 0.997 nan 8.230 nan 0.000 0.494 88 T N -1.935 112.514 114.554 -0.174 0.000 2.770 88 T HA 0.098 4.448 4.350 -0.000 0.000 0.281 88 T C 0.729 175.363 174.700 -0.109 0.000 0.981 88 T CA -0.801 61.214 62.100 -0.142 0.000 0.955 88 T CB 0.798 69.550 68.868 -0.193 0.000 1.060 88 T HN 0.496 nan 8.240 nan 0.000 0.531 89 D N -0.184 120.131 120.400 -0.142 0.000 2.144 89 D HA -0.020 4.620 4.640 -0.000 0.000 0.199 89 D C 1.526 178.004 176.300 0.296 0.000 0.984 89 D CA 1.110 55.122 54.000 0.020 0.000 0.834 89 D CB -0.252 40.518 40.800 -0.050 0.000 0.955 89 D HN 0.471 nan 8.370 nan 0.000 0.465 90 F N 0.190 120.078 119.950 -0.102 0.000 2.473 90 F HA 0.247 4.774 4.527 -0.000 0.000 0.294 90 F C 2.206 177.959 175.800 -0.078 0.000 1.103 90 F CA 0.405 58.377 58.000 -0.046 0.000 1.442 90 F CB -0.970 37.974 39.000 -0.094 0.000 1.097 90 F HN -0.025 nan 8.300 nan 0.000 0.547 91 G N 2.730 111.561 108.800 0.053 0.000 2.698 91 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.337 91 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.337 91 G C -1.004 173.874 174.900 -0.038 0.000 1.286 91 G CA 0.669 45.715 45.100 -0.091 0.000 1.000 91 G HN 0.222 nan 8.290 nan 0.000 0.547 92 P HA 0.016 nan 4.420 nan 0.000 0.225 92 P C 1.666 178.974 177.300 0.013 0.000 1.148 92 P CA 2.382 65.486 63.100 0.007 0.000 0.779 92 P CB -0.394 31.298 31.700 -0.014 0.000 0.780 93 A N 0.123 122.911 122.820 -0.053 0.000 2.121 93 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 93 A C 1.847 179.571 177.584 0.234 0.000 1.154 93 A CA 1.095 53.100 52.037 -0.054 0.000 0.679 93 A CB -1.012 17.857 19.000 -0.219 0.000 0.795 93 A HN 0.132 nan 8.150 nan 0.000 0.458 94 N N -0.372 118.463 118.700 0.224 0.000 2.268 94 N HA 0.189 4.929 4.740 -0.000 0.000 0.204 94 N C 1.062 176.715 175.510 0.237 0.000 1.124 94 N CA 0.085 53.289 53.050 0.255 0.000 0.838 94 N CB 0.087 38.707 38.487 0.221 0.000 0.994 94 N HN 0.475 nan 8.380 nan 0.000 0.489 95 L N -0.332 121.064 121.223 0.288 0.000 2.141 95 L HA 0.006 4.346 4.340 -0.000 0.000 0.209 95 L C 0.320 177.359 176.870 0.281 0.000 1.094 95 L CA 0.809 55.844 54.840 0.325 0.000 0.763 95 L CB 0.219 42.494 42.059 0.360 0.000 0.908 95 L HN -0.116 nan 8.230 nan 0.000 0.437 96 V N 0.097 120.100 119.914 0.148 0.000 2.370 96 V HA 0.119 4.239 4.120 -0.000 0.000 0.283 96 V C 0.567 176.550 176.094 -0.184 0.000 1.023 96 V CA -0.529 61.621 62.300 -0.250 0.000 0.857 96 V CB 1.626 32.990 31.823 -0.765 0.000 0.985 96 V HN 0.189 nan 8.190 nan 0.000 0.443 97 Q N 3.702 123.411 119.800 -0.153 0.000 2.096 97 Q HA 0.156 4.496 4.340 -0.000 0.000 0.197 97 Q C 0.403 176.304 176.000 -0.165 0.000 0.964 97 Q CA 1.116 56.875 55.803 -0.074 0.000 0.838 97 Q CB 0.357 29.086 28.738 -0.014 0.000 0.906 97 Q HN 0.653 nan 8.270 nan 0.000 0.444 98 R N -0.895 119.454 120.500 -0.252 0.000 2.680 98 R HA 0.638 4.978 4.340 -0.000 0.000 0.269 98 R C -1.310 174.793 176.300 -0.329 0.000 1.026 98 R CA -0.524 55.420 56.100 -0.259 0.000 0.889 98 R CB 2.111 32.310 30.300 -0.168 0.000 1.241 98 R HN -0.198 nan 8.270 nan 0.000 0.463 99 V N 2.983 122.715 119.914 -0.302 0.000 2.709 99 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 99 V C -0.636 175.332 176.094 -0.211 0.000 1.062 99 V CA -0.689 61.431 62.300 -0.299 0.000 0.901 99 V CB 2.241 33.856 31.823 -0.346 0.000 1.003 99 V HN 0.587 nan 8.190 nan 0.000 0.425 100 I N 3.989 124.457 120.570 -0.170 0.000 2.607 100 I HA 0.485 4.655 4.170 -0.000 0.000 0.290 100 I C -1.622 174.436 176.117 -0.099 0.000 1.129 100 I CA -0.675 60.539 61.300 -0.142 0.000 1.042 100 I CB 2.320 40.265 38.000 -0.092 0.000 1.242 100 I HN 0.677 nan 8.210 nan 0.000 0.421 101 Y N 6.004 126.135 120.300 -0.282 0.000 2.446 101 Y HA 0.653 5.203 4.550 -0.000 0.000 0.345 101 Y C -1.788 173.938 175.900 -0.289 0.000 0.984 101 Y CA -0.758 57.210 58.100 -0.221 0.000 1.058 101 Y CB 1.568 39.900 38.460 -0.213 0.000 1.220 101 Y HN 0.386 nan 8.280 nan 0.000 0.455 102 Y N 4.136 123.888 120.300 -0.913 0.000 2.406 102 Y HA 0.288 4.838 4.550 -0.000 0.000 0.340 102 Y C -0.322 175.030 175.900 -0.914 0.000 0.975 102 Y CA -1.236 56.520 58.100 -0.573 0.000 1.056 102 Y CB 1.289 39.560 38.460 -0.314 0.000 1.210 102 Y HN 0.718 nan 8.280 nan 0.000 0.448 103 D N 2.719 122.984 120.400 -0.225 0.000 2.447 103 D HA 0.235 4.875 4.640 -0.000 0.000 0.265 103 D C -2.122 174.174 176.300 -0.007 0.000 1.250 103 D CA -2.036 51.934 54.000 -0.050 0.000 1.046 103 D CB 0.213 41.162 40.800 0.248 0.000 1.095 103 D HN 0.167 nan 8.370 nan 0.000 0.555 104 P HA -0.110 nan 4.420 nan 0.000 0.216 104 P C 0.246 177.558 177.300 0.020 0.000 1.150 104 P CA 1.216 64.325 63.100 0.016 0.000 0.843 104 P CB 0.047 31.763 31.700 0.027 0.000 0.787 105 D N -1.860 118.571 120.400 0.052 0.000 2.336 105 D HA -0.010 4.630 4.640 -0.000 0.000 0.229 105 D C 0.404 176.738 176.300 0.057 0.000 1.061 105 D CA 0.294 54.323 54.000 0.049 0.000 0.875 105 D CB -0.900 39.938 40.800 0.063 0.000 0.904 105 D HN 0.055 nan 8.370 nan 0.000 0.525 106 N N 1.062 119.799 118.700 0.061 0.000 2.741 106 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 106 N C -0.809 174.823 175.510 0.204 0.000 1.115 106 N CA 0.437 53.545 53.050 0.097 0.000 0.724 106 N CB -0.549 37.945 38.487 0.012 0.000 1.090 106 N HN 0.089 nan 8.380 nan 0.000 0.558 107 Q N 0.651 120.562 119.800 0.186 0.000 2.288 107 Q HA 0.161 4.501 4.340 -0.000 0.000 0.258 107 Q C 0.373 176.496 176.000 0.206 0.000 0.957 107 Q CA -0.166 55.737 55.803 0.167 0.000 0.919 107 Q CB 1.113 29.927 28.738 0.127 0.000 1.185 107 Q HN 0.333 nan 8.270 nan 0.000 0.408 108 R N 2.932 123.470 120.500 0.064 0.000 2.340 108 R HA 0.154 4.494 4.340 -0.000 0.000 0.300 108 R C 0.190 176.478 176.300 -0.020 0.000 1.069 108 R CA 0.154 56.157 56.100 -0.162 0.000 0.984 108 R CB 0.510 30.603 30.300 -0.344 0.000 1.003 108 R HN 0.687 nan 8.270 nan 0.000 0.459 109 H N 1.180 120.181 119.070 -0.116 0.000 4.661 109 H HA 0.158 4.714 4.556 -0.000 0.000 0.141 109 H C 0.034 175.263 175.328 -0.164 0.000 1.436 109 H CA -0.513 55.493 56.048 -0.069 0.000 1.052 109 H CB 0.136 29.924 29.762 0.043 0.000 1.383 109 H HN 0.447 nan 8.280 nan 0.000 0.422 110 T N 1.404 115.947 114.554 -0.018 0.000 2.930 110 T HA 0.098 4.448 4.350 -0.000 0.000 0.306 110 T C 0.091 174.707 174.700 -0.141 0.000 1.045 110 T CA 0.487 62.493 62.100 -0.156 0.000 1.134 110 T CB 0.315 69.049 68.868 -0.224 0.000 0.961 110 T HN 0.418 nan 8.240 nan 0.000 0.545 111 E N 1.882 122.003 120.200 -0.132 0.000 2.542 111 E HA 0.444 4.794 4.350 -0.000 0.000 0.298 111 E C -0.875 175.669 176.600 -0.094 0.000 0.980 111 E CA -0.502 55.826 56.400 -0.120 0.000 0.792 111 E CB 1.012 30.654 29.700 -0.098 0.000 1.463 111 E HN 0.569 nan 8.360 nan 0.000 0.389 112 T N 1.192 115.662 114.554 -0.139 0.000 2.711 112 T HA 0.464 4.814 4.350 -0.000 0.000 0.302 112 T C -0.932 173.619 174.700 -0.249 0.000 1.373 112 T CA -0.165 61.849 62.100 -0.144 0.000 1.000 112 T CB 1.021 69.865 68.868 -0.041 0.000 1.483 112 T HN 0.480 nan 8.240 nan 0.000 0.499 113 S N 0.077 115.555 115.700 -0.371 0.000 2.614 113 S HA 0.473 4.942 4.470 -0.000 0.000 0.265 113 S C 1.655 175.970 174.600 -0.476 0.000 1.303 113 S CA 0.106 58.015 58.200 -0.485 0.000 1.000 113 S CB 0.794 63.483 63.200 -0.851 0.000 0.935 113 S HN 1.072 nan 8.310 nan 0.000 0.551 114 G N 1.008 109.597 108.800 -0.350 0.000 2.418 114 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 114 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 114 G C 1.348 176.242 174.900 -0.009 0.000 1.158 114 G CA 0.774 45.733 45.100 -0.234 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.278 121.563 121.300 -0.026 0.000 2.363 115 W HA -0.044 4.616 4.660 -0.000 0.000 0.296 115 W C 1.789 178.060 176.519 -0.413 0.000 1.212 115 W CA 0.865 58.024 57.345 -0.310 0.000 1.260 115 W CB -1.085 28.180 29.460 -0.324 0.000 1.131 115 W HN 0.434 nan 8.180 nan 0.000 0.530 116 H N 1.220 119.912 119.070 -0.630 0.000 2.326 116 H HA -0.185 4.370 4.556 -0.000 0.000 0.301 116 H C 2.383 177.608 175.328 -0.171 0.000 1.081 116 H CA 1.819 57.633 56.048 -0.391 0.000 1.334 116 H CB -0.123 29.203 29.762 -0.726 0.000 1.385 116 H HN 0.112 nan 8.280 nan 0.000 0.504 117 L N 0.995 121.998 121.223 -0.366 0.000 2.042 117 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 117 L C 2.565 179.348 176.870 -0.145 0.000 1.076 117 L CA 2.435 57.090 54.840 -0.309 0.000 0.749 117 L CB -1.107 40.828 42.059 -0.205 0.000 0.893 117 L HN 0.379 nan 8.230 nan 0.000 0.432 118 H N -1.309 117.696 119.070 -0.108 0.000 2.353 118 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 118 H C 1.816 177.138 175.328 -0.010 0.000 1.090 118 H CA 2.153 58.136 56.048 -0.108 0.000 1.327 118 H CB -0.346 29.329 29.762 -0.146 0.000 1.383 118 H HN 0.349 nan 8.280 nan 0.000 0.508 119 F N -0.284 119.556 119.950 -0.182 0.000 2.234 119 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 119 F C 2.618 178.358 175.800 -0.101 0.000 1.087 119 F CA 0.807 58.751 58.000 -0.094 0.000 1.340 119 F CB -0.886 38.113 39.000 -0.001 0.000 1.031 119 F HN 0.108 nan 8.300 nan 0.000 0.500 120 V N -0.002 119.916 119.914 0.006 0.000 2.379 120 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 120 V C 1.949 177.984 176.094 -0.098 0.000 1.044 120 V CA 1.762 64.040 62.300 -0.038 0.000 1.036 120 V CB -0.801 30.938 31.823 -0.140 0.000 0.664 120 V HN 0.347 nan 8.190 nan 0.000 0.453 121 N N -0.212 118.345 118.700 -0.237 0.000 2.069 121 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 121 N C 1.845 177.210 175.510 -0.241 0.000 1.031 121 N CA 1.883 54.666 53.050 -0.444 0.000 0.852 121 N CB -0.241 37.584 38.487 -1.104 0.000 1.018 121 N HN 0.412 nan 8.380 nan 0.000 0.423 122 T N 0.733 115.181 114.554 -0.177 0.000 2.652 122 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 122 T C 2.056 176.718 174.700 -0.063 0.000 1.039 122 T CA 1.334 63.403 62.100 -0.053 0.000 1.153 122 T CB -0.408 68.401 68.868 -0.098 0.000 0.863 122 T HN 0.355 nan 8.240 nan 0.000 0.428 123 A N 1.977 124.763 122.820 -0.056 0.000 1.883 123 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 123 A C 2.284 179.855 177.584 -0.021 0.000 1.186 123 A CA 1.484 53.456 52.037 -0.108 0.000 0.624 123 A CB -0.365 18.512 19.000 -0.204 0.000 0.822 123 A HN 0.309 nan 8.150 nan 0.000 0.444 124 K N -0.548 119.845 120.400 -0.013 0.000 2.097 124 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 124 K C 2.156 178.738 176.600 -0.029 0.000 1.050 124 K CA 1.582 57.853 56.287 -0.026 0.000 0.938 124 K CB -0.343 32.111 32.500 -0.076 0.000 0.718 124 K HN 0.773 nan 8.250 nan 0.000 0.442 125 Q N -0.037 119.761 119.800 -0.003 0.000 2.172 125 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 125 Q C 0.600 176.590 176.000 -0.017 0.000 0.964 125 Q CA 1.352 57.163 55.803 0.014 0.000 0.855 125 Q CB 0.200 29.002 28.738 0.106 0.000 0.918 125 Q HN 0.463 nan 8.270 nan 0.000 0.444 126 G N -0.619 108.163 108.800 -0.029 0.000 2.132 126 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.234 126 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.234 126 G C -0.084 174.776 174.900 -0.068 0.000 0.989 126 G CA 0.187 45.262 45.100 -0.043 0.000 0.676 126 G HN 0.849 nan 8.290 nan 0.000 0.522 127 A N -1.353 121.422 122.820 -0.074 0.000 2.583 127 A HA 0.763 5.083 4.320 -0.000 0.000 0.292 127 A C -3.137 174.412 177.584 -0.059 0.000 1.045 127 A CA -0.668 51.318 52.037 -0.085 0.000 0.672 127 A CB 0.645 19.607 19.000 -0.064 0.000 1.283 127 A HN 0.190 nan 8.150 nan 0.000 0.419 128 P HA 0.104 nan 4.420 nan 0.000 0.255 128 P C -0.286 177.076 177.300 0.103 0.000 1.161 128 P CA 0.559 63.670 63.100 0.017 0.000 0.768 128 P CB -0.196 31.514 31.700 0.016 0.000 0.746 129 F N 5.839 125.793 119.950 0.005 0.000 2.580 129 F HA -0.097 4.430 4.527 -0.000 0.000 0.398 129 F C 1.196 177.017 175.800 0.035 0.000 1.023 129 F CA 0.364 58.379 58.000 0.026 0.000 1.188 129 F CB -0.461 38.587 39.000 0.080 0.000 1.005 129 F HN 0.277 nan 8.300 nan 0.000 0.546 130 L N 3.486 124.364 121.223 -0.575 0.000 3.976 130 L HA -0.331 4.008 4.340 -0.000 0.000 0.418 130 L C 0.709 177.431 176.870 -0.246 0.000 1.177 130 L CA 0.562 55.078 54.840 -0.540 0.000 0.968 130 L CB -2.424 39.161 42.059 -0.789 0.000 1.933 130 L HN 0.723 nan 8.230 nan 0.000 0.976 131 S N -1.991 113.629 115.700 -0.133 0.000 2.645 131 S HA 0.617 5.087 4.470 -0.000 0.000 0.266 131 S C 0.213 174.767 174.600 -0.078 0.000 1.258 131 S CA 0.048 58.207 58.200 -0.069 0.000 0.990 131 S CB 2.519 65.704 63.200 -0.025 0.000 0.967 131 S HN 0.290 nan 8.310 nan 0.000 0.556 135 T N -1.062 113.486 114.554 -0.010 0.000 2.838 135 T HA 0.509 4.859 4.350 -0.000 0.000 0.292 135 T C 0.161 174.863 174.700 0.003 0.000 1.113 135 T CA 0.132 62.223 62.100 -0.016 0.000 1.008 135 T CB 2.082 70.925 68.868 -0.041 0.000 1.259 135 T HN 0.776 nan 8.240 nan 0.000 0.520 136 D N -0.093 120.307 120.400 0.001 0.000 2.349 136 D HA 0.057 4.697 4.640 -0.000 0.000 0.224 136 D C 0.736 177.051 176.300 0.025 0.000 1.029 136 D CA -0.125 53.882 54.000 0.011 0.000 0.879 136 D CB -0.365 40.438 40.800 0.005 0.000 0.906 136 D HN 0.412 nan 8.370 nan 0.000 0.528 137 S N 1.921 117.643 115.700 0.037 0.000 2.544 137 S HA 0.060 4.529 4.470 -0.000 0.000 0.290 137 S C -0.982 173.670 174.600 0.088 0.000 1.276 137 S CA -0.908 57.337 58.200 0.075 0.000 1.075 137 S CB 0.964 64.242 63.200 0.129 0.000 0.849 137 S HN 0.092 nan 8.310 nan 0.000 0.494 138 P HA 0.032 nan 4.420 nan 0.000 0.222 138 P C 0.184 177.505 177.300 0.036 0.000 1.153 138 P CA 0.367 63.492 63.100 0.042 0.000 0.798 138 P CB -0.076 31.640 31.700 0.027 0.000 0.796 139 I N 1.302 121.909 120.570 0.062 0.000 2.648 139 I HA -0.041 4.128 4.170 -0.000 0.000 0.284 139 I C 1.395 177.478 176.117 -0.057 0.000 1.153 139 I CA 0.371 61.656 61.300 -0.026 0.000 1.426 139 I CB 0.056 38.039 38.000 -0.029 0.000 1.381 139 I HN -0.246 nan 8.210 nan 0.000 0.571 140 K N 6.677 126.989 120.400 -0.148 0.000 3.245 140 K HA 0.052 4.372 4.320 -0.000 0.000 0.285 140 K C -0.620 175.899 176.600 -0.135 0.000 1.156 140 K CA 0.036 56.260 56.287 -0.106 0.000 1.162 140 K CB -0.620 31.829 32.500 -0.084 0.000 1.365 140 K HN 0.380 nan 8.250 nan 0.000 0.316 141 Y N 0.572 120.861 120.300 -0.018 0.000 2.258 141 Y HA 0.303 4.853 4.550 -0.000 0.000 0.345 141 Y C 1.574 177.461 175.900 -0.021 0.000 1.303 141 Y CA 0.686 58.772 58.100 -0.023 0.000 1.537 141 Y CB 0.773 39.217 38.460 -0.026 0.000 1.383 141 Y HN 0.478 nan 8.280 nan 0.000 0.606 142 G N -0.016 108.879 108.800 0.159 0.000 2.302 142 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.276 142 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.276 142 G C -1.721 173.203 174.900 0.040 0.000 1.316 142 G CA -0.833 44.312 45.100 0.075 0.000 0.988 142 G HN 0.549 nan 8.290 nan 0.000 0.479 143 D N 0.721 121.135 120.400 0.023 0.000 2.498 143 D HA 0.447 5.087 4.640 -0.000 0.000 0.229 143 D C 0.869 177.175 176.300 0.012 0.000 1.188 143 D CA 0.097 54.104 54.000 0.012 0.000 1.028 143 D CB 0.226 41.033 40.800 0.012 0.000 1.087 143 D HN 0.398 nan 8.370 nan 0.000 0.510 147 V N 0.191 120.124 119.914 0.032 0.000 2.261 147 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 147 V C 1.225 177.421 176.094 0.169 0.000 1.047 147 V CA 1.340 63.676 62.300 0.060 0.000 1.015 147 V CB -0.206 31.535 31.823 -0.136 0.000 0.642 147 V HN 0.526 nan 8.190 nan 0.000 0.446 148 I N -0.123 120.494 120.570 0.079 0.000 2.418 148 I HA 0.801 4.971 4.170 -0.000 0.000 0.287 148 I C -1.207 174.939 176.117 0.049 0.000 1.008 148 I CA -0.449 60.902 61.300 0.086 0.000 1.104 148 I CB 1.193 39.222 38.000 0.048 0.000 1.264 148 I HN 0.304 nan 8.210 nan 0.000 0.438 149 D N 4.813 125.246 120.400 0.054 0.000 2.654 149 D HA 0.818 5.458 4.640 -0.000 0.000 0.231 149 D C -1.829 174.508 176.300 0.062 0.000 1.239 149 D CA -0.207 53.823 54.000 0.050 0.000 0.790 149 D CB 2.440 43.272 40.800 0.054 0.000 1.480 149 D HN 1.084 nan 8.370 nan 0.000 0.442 150 A N 2.252 125.112 122.820 0.067 0.000 2.565 150 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 150 A C -2.836 174.822 177.584 0.123 0.000 1.062 150 A CA -1.143 50.958 52.037 0.107 0.000 0.723 150 A CB 1.381 20.426 19.000 0.075 0.000 1.282 150 A HN 0.441 nan 8.150 nan 0.000 0.400 151 P HA 0.267 nan 4.420 nan 0.000 0.268 151 P C 1.002 178.424 177.300 0.204 0.000 1.204 151 P CA 0.560 63.755 63.100 0.157 0.000 0.768 151 P CB 1.249 33.028 31.700 0.130 0.000 0.842 152 A N 3.689 126.586 122.820 0.127 0.000 1.978 152 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 152 A C 1.151 178.844 177.584 0.181 0.000 1.170 152 A CA 1.950 54.054 52.037 0.112 0.000 0.636 152 A CB -0.939 18.102 19.000 0.068 0.000 0.810 152 A HN 0.746 nan 8.150 nan 0.000 0.448 153 T N -3.989 110.671 114.554 0.176 0.000 2.883 153 T HA 0.672 5.022 4.350 -0.000 0.000 0.301 153 T C -0.882 173.850 174.700 0.052 0.000 1.158 153 T CA -0.651 61.540 62.100 0.153 0.000 1.007 153 T CB 1.474 70.383 68.868 0.069 0.000 1.186 153 T HN 0.187 nan 8.240 nan 0.000 0.499 154 I N 1.740 122.267 120.570 -0.071 0.000 2.476 154 I HA 0.563 4.733 4.170 -0.000 0.000 0.281 154 I C 0.685 176.723 176.117 -0.132 0.000 1.040 154 I CA -1.131 60.065 61.300 -0.173 0.000 1.094 154 I CB 1.403 39.160 38.000 -0.406 0.000 1.219 154 I HN 1.042 nan 8.210 nan 0.000 0.450 155 A N 4.665 127.435 122.820 -0.082 0.000 2.386 155 A HA 0.670 4.989 4.320 -0.000 0.000 0.246 155 A C 0.657 178.200 177.584 -0.069 0.000 1.089 155 A CA -0.203 51.797 52.037 -0.061 0.000 0.790 155 A CB 0.382 19.360 19.000 -0.037 0.000 1.042 155 A HN 0.833 nan 8.150 nan 0.000 0.497 156 A N -0.179 122.616 122.820 -0.041 0.000 2.548 156 A HA 0.472 4.792 4.320 -0.000 0.000 0.247 156 A C 1.581 179.147 177.584 -0.030 0.000 1.067 156 A CA 0.834 52.861 52.037 -0.016 0.000 0.757 156 A CB -1.083 17.937 19.000 0.034 0.000 0.996 156 A HN 2.740 nan 8.150 nan 0.000 0.504 157 G N 0.850 109.624 108.800 -0.044 0.000 2.176 157 G HA2 0.141 4.101 3.960 -0.000 0.000 0.253 157 G HA3 0.141 4.101 3.960 -0.000 0.000 0.253 157 G C 0.543 175.410 174.900 -0.055 0.000 0.979 157 G CA 0.526 45.598 45.100 -0.047 0.000 0.641 157 G HN 2.138 nan 8.290 nan 0.000 0.530 158 A N -0.556 122.223 122.820 -0.069 0.000 2.269 158 A HA 0.858 5.178 4.320 -0.000 0.000 0.319 158 A C 0.223 177.752 177.584 -0.091 0.000 1.110 158 A CA 0.600 52.595 52.037 -0.070 0.000 0.847 158 A CB 1.115 20.075 19.000 -0.066 0.000 1.161 158 A HN 0.720 nan 8.150 nan 0.000 0.497 159 T N 0.718 115.228 114.554 -0.072 0.000 2.847 159 T HA 0.593 4.943 4.350 -0.000 0.000 0.291 159 T C 0.144 174.810 174.700 -0.056 0.000 0.998 159 T CA 0.038 62.095 62.100 -0.072 0.000 0.967 159 T CB 1.315 70.157 68.868 -0.044 0.000 0.954 159 T HN 1.045 nan 8.240 nan 0.000 0.441 160 G N 2.068 110.825 108.800 -0.072 0.000 2.417 160 G HA2 0.664 4.624 3.960 -0.000 0.000 0.334 160 G HA3 0.664 4.624 3.960 -0.000 0.000 0.334 160 G C -0.930 173.983 174.900 0.022 0.000 1.150 160 G CA -0.635 44.450 45.100 -0.024 0.000 0.923 160 G HN 0.619 nan 8.290 nan 0.000 0.485 161 E N 0.076 120.306 120.200 0.049 0.000 2.179 161 E HA 0.518 4.867 4.350 -0.000 0.000 0.275 161 E C -0.447 176.210 176.600 0.096 0.000 0.945 161 E CA -0.436 56.003 56.400 0.066 0.000 0.792 161 E CB 2.193 31.921 29.700 0.046 0.000 1.125 161 E HN 0.264 nan 8.360 nan 0.000 0.397 162 L N 1.313 122.603 121.223 0.112 0.000 2.354 162 L HA 0.674 5.014 4.340 -0.000 0.000 0.264 162 L C -0.099 176.826 176.870 0.091 0.000 1.008 162 L CA -0.831 54.081 54.840 0.121 0.000 0.819 162 L CB 2.059 44.220 42.059 0.170 0.000 1.339 162 L HN 0.547 nan 8.230 nan 0.000 0.420 166 Y N 1.441 122.033 120.300 0.486 0.000 2.442 166 Y HA 0.377 4.927 4.550 -0.000 0.000 0.344 166 Y C -1.053 175.071 175.900 0.374 0.000 0.976 166 Y CA -1.309 56.985 58.100 0.322 0.000 1.040 166 Y CB 2.276 40.803 38.460 0.111 0.000 1.228 166 Y HN 0.666 nan 8.280 nan 0.000 0.451 167 W N 5.341 126.742 121.300 0.169 0.000 2.361 167 W HA 0.661 5.321 4.660 -0.000 0.000 0.314 167 W C -1.896 174.647 176.519 0.041 0.000 1.041 167 W CA -1.003 56.417 57.345 0.126 0.000 1.241 167 W CB 1.429 30.911 29.460 0.037 0.000 1.279 167 W HN 0.306 nan 8.180 nan 0.000 0.436 168 V N 9.495 129.091 119.914 -0.531 0.000 2.334 168 V HA 0.191 4.311 4.120 -0.000 0.000 0.267 168 V C -1.577 174.005 176.094 -0.854 0.000 1.040 168 V CA -1.544 60.461 62.300 -0.491 0.000 0.866 168 V CB 0.907 32.584 31.823 -0.244 0.000 1.019 168 V HN 0.364 nan 8.190 nan 0.000 0.468 169 P HA 0.395 nan 4.420 nan 0.000 0.282 169 P C 0.021 177.196 177.300 -0.209 0.000 1.249 169 P CA -0.297 62.596 63.100 -0.344 0.000 0.806 169 P CB 2.564 34.379 31.700 0.191 0.000 0.984 170 L N 1.066 122.226 121.223 -0.106 0.000 2.738 170 L HA 0.326 4.666 4.340 -0.000 0.000 0.175 170 L C 1.363 178.358 176.870 0.208 0.000 1.125 170 L CA 0.076 54.871 54.840 -0.075 0.000 0.857 170 L CB -0.798 41.096 42.059 -0.274 0.000 1.300 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.898 122.020 122.820 0.163 0.000 2.386 171 A HA -0.000 4.320 4.320 -0.000 0.000 0.248 171 A C 0.512 178.264 177.584 0.279 0.000 1.082 171 A CA 0.027 52.185 52.037 0.202 0.000 0.789 171 A CB -0.000 19.083 19.000 0.139 0.000 1.025 171 A HN 0.357 nan 8.150 nan 0.000 0.490 172 Y N 2.051 122.359 120.300 0.013 0.000 2.200 172 Y HA -0.003 4.547 4.550 -0.000 0.000 0.290 172 Y C 1.221 177.096 175.900 -0.043 0.000 1.137 172 Y CA 1.712 59.664 58.100 -0.246 0.000 1.163 172 Y CB 0.024 38.358 38.460 -0.210 0.000 0.988 172 Y HN 0.881 nan 8.280 nan 0.000 0.518 173 S N -2.541 113.149 115.700 -0.016 0.000 2.727 173 S HA 0.256 4.726 4.470 -0.000 0.000 0.278 173 S C 0.335 174.928 174.600 -0.010 0.000 1.186 173 S CA -0.658 57.487 58.200 -0.091 0.000 0.836 173 S CB 1.078 64.206 63.200 -0.120 0.000 1.186 173 S HN 0.042 nan 8.310 nan 0.000 0.499 174 E N 1.203 121.366 120.200 -0.062 0.000 2.204 174 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 174 E C 1.872 178.457 176.600 -0.024 0.000 0.989 174 E CA 2.027 58.392 56.400 -0.057 0.000 0.824 174 E CB -0.508 29.129 29.700 -0.104 0.000 0.756 174 E HN 0.852 nan 8.360 nan 0.000 0.477 175 T N -2.308 112.243 114.554 -0.005 0.000 3.015 175 T HA 0.040 4.390 4.350 -0.000 0.000 0.250 175 T C 0.598 175.319 174.700 0.034 0.000 1.057 175 T CA -0.188 61.917 62.100 0.009 0.000 1.066 175 T CB 0.365 69.237 68.868 0.007 0.000 0.959 175 T HN -0.206 nan 8.240 nan 0.000 0.488 176 D N 1.317 121.761 120.400 0.074 0.000 2.454 176 D HA 0.287 4.927 4.640 -0.000 0.000 0.225 176 D C 0.736 177.085 176.300 0.082 0.000 1.081 176 D CA -0.653 53.401 54.000 0.090 0.000 0.864 176 D CB 0.812 41.728 40.800 0.194 0.000 1.040 176 D HN 0.233 nan 8.370 nan 0.000 0.517 177 L N 2.509 123.753 121.223 0.035 0.000 2.650 177 L HA 0.055 4.395 4.340 -0.000 0.000 0.235 177 L C 0.781 177.658 176.870 0.011 0.000 1.149 177 L CA 0.234 55.095 54.840 0.035 0.000 0.887 177 L CB -0.490 41.583 42.059 0.024 0.000 1.021 177 L HN 0.245 nan 8.230 nan 0.000 0.441 178 T N 0.958 115.484 114.554 -0.047 0.000 2.831 178 T HA 0.242 4.592 4.350 -0.000 0.000 0.291 178 T C 1.232 175.915 174.700 -0.029 0.000 0.981 178 T CA 1.018 63.014 62.100 -0.173 0.000 1.174 178 T CB 0.820 69.375 68.868 -0.522 0.000 0.929 178 T HN 0.630 nan 8.240 nan 0.000 0.532 179 G N 2.049 110.860 108.800 0.019 0.000 2.194 179 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.236 179 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.236 179 G C 0.344 175.349 174.900 0.176 0.000 0.987 179 G CA -0.079 45.131 45.100 0.183 0.000 0.635 179 G HN 1.131 nan 8.290 nan 0.000 0.520 180 A N -0.592 122.290 122.820 0.102 0.000 2.366 180 A HA 0.683 5.003 4.320 -0.000 0.000 0.250 180 A C 0.363 177.988 177.584 0.070 0.000 1.099 180 A CA 0.714 52.788 52.037 0.063 0.000 0.794 180 A CB 0.904 19.933 19.000 0.049 0.000 1.056 180 A HN 1.208 nan 8.150 nan 0.000 0.499 181 V N 1.427 121.360 119.914 0.032 0.000 2.483 181 V HA 0.296 4.416 4.120 -0.000 0.000 0.297 181 V C -0.589 175.533 176.094 0.047 0.000 1.027 181 V CA -0.476 61.861 62.300 0.061 0.000 0.855 181 V CB 1.350 33.211 31.823 0.063 0.000 0.995 181 V HN 0.776 nan 8.190 nan 0.000 0.424 182 L N 5.430 126.681 121.223 0.047 0.000 2.325 182 L HA 0.660 5.000 4.340 -0.000 0.000 0.284 182 L C 0.611 177.488 176.870 0.012 0.000 1.089 182 L CA 0.273 55.123 54.840 0.017 0.000 0.836 182 L CB 0.719 42.778 42.059 0.001 0.000 1.184 182 L HN 0.746 nan 8.230 nan 0.000 0.444 183 A N 5.029 127.847 122.820 -0.003 0.000 2.937 183 A HA 0.361 4.681 4.320 -0.000 0.000 0.338 183 A C 0.354 177.914 177.584 -0.040 0.000 1.273 183 A CA -0.302 51.731 52.037 -0.007 0.000 0.937 183 A CB -0.717 18.288 19.000 0.007 0.000 1.133 183 A HN 0.914 nan 8.150 nan 0.000 0.491 184 N N 0.155 118.825 118.700 -0.050 0.000 2.238 184 N HA 0.156 4.896 4.740 -0.000 0.000 0.235 184 N C -0.813 174.666 175.510 -0.051 0.000 1.209 184 N CA -0.251 52.758 53.050 -0.068 0.000 0.879 184 N CB 1.024 39.438 38.487 -0.122 0.000 1.136 184 N HN 0.113 nan 8.380 nan 0.000 0.517 185 V N 2.280 122.174 119.914 -0.033 0.000 2.258 185 V HA 0.333 4.453 4.120 -0.000 0.000 0.258 185 V C -2.114 173.969 176.094 -0.019 0.000 1.121 185 V CA -1.501 60.785 62.300 -0.023 0.000 0.942 185 V CB 0.086 31.901 31.823 -0.014 0.000 1.170 185 V HN 0.101 nan 8.190 nan 0.000 0.487 186 P HA 0.071 nan 4.420 nan 0.000 0.269 186 P C 0.355 177.647 177.300 -0.014 0.000 1.217 186 P CA 0.140 63.231 63.100 -0.015 0.000 0.783 186 P CB 0.183 31.876 31.700 -0.012 0.000 0.898 187 Q N -1.554 118.237 119.800 -0.015 0.000 2.494 187 Q HA -0.195 4.144 4.340 -0.000 0.000 0.272 187 Q C -0.344 175.644 176.000 -0.020 0.000 1.145 187 Q CA 0.952 56.745 55.803 -0.017 0.000 0.943 187 Q CB -2.232 26.497 28.738 -0.014 0.000 1.338 187 Q HN 0.373 nan 8.270 nan 0.000 0.492 188 S N -0.125 115.562 115.700 -0.021 0.000 2.592 188 S HA 0.255 4.725 4.470 -0.000 0.000 0.151 188 S C -0.492 174.094 174.600 -0.024 0.000 1.280 188 S CA -0.811 57.376 58.200 -0.022 0.000 1.187 188 S CB 0.385 63.576 63.200 -0.014 0.000 1.471 188 S HN 0.333 nan 8.310 nan 0.000 0.409 189 K N 2.052 122.431 120.400 -0.034 0.000 2.168 189 K HA 0.424 4.744 4.320 -0.000 0.000 0.258 189 K C 0.039 176.605 176.600 -0.057 0.000 1.010 189 K CA -0.720 55.546 56.287 -0.036 0.000 0.929 189 K CB 0.712 33.187 32.500 -0.041 0.000 0.998 189 K HN 0.445 nan 8.250 nan 0.000 0.479 190 Q N 0.592 120.363 119.800 -0.047 0.000 2.316 190 Q HA 0.273 4.613 4.340 -0.000 0.000 0.215 190 Q C -0.594 175.303 176.000 -0.172 0.000 1.020 190 Q CA -0.684 55.050 55.803 -0.114 0.000 0.970 190 Q CB 1.062 29.812 28.738 0.021 0.000 1.187 190 Q HN 0.512 nan 8.270 nan 0.000 0.546 191 R N 0.822 121.134 120.500 -0.314 0.000 2.510 191 R HA 0.378 4.718 4.340 -0.000 0.000 0.287 191 R C -2.127 174.021 176.300 -0.253 0.000 1.084 191 R CA -0.616 55.349 56.100 -0.226 0.000 0.934 191 R CB 0.932 31.122 30.300 -0.183 0.000 1.201 191 R HN 0.483 nan 8.270 nan 0.000 0.431 192 L N 4.808 125.908 121.223 -0.203 0.000 2.353 192 L HA 0.463 4.803 4.340 -0.000 0.000 0.270 192 L C -1.113 175.653 176.870 -0.173 0.000 1.003 192 L CA -0.219 54.491 54.840 -0.216 0.000 0.862 192 L CB 1.107 42.908 42.059 -0.430 0.000 1.221 192 L HN 0.498 nan 8.230 nan 0.000 0.430 193 K N 6.006 126.334 120.400 -0.121 0.000 2.201 193 K HA 0.609 4.929 4.320 -0.000 0.000 0.278 193 K C -1.209 175.271 176.600 -0.201 0.000 1.027 193 K CA -0.463 55.755 56.287 -0.115 0.000 0.909 193 K CB 1.482 33.953 32.500 -0.048 0.000 1.062 193 K HN 0.532 nan 8.250 nan 0.000 0.465 194 L N 3.015 124.100 121.223 -0.230 0.000 2.381 194 L HA 0.337 4.677 4.340 -0.000 0.000 0.274 194 L C -0.447 176.202 176.870 -0.367 0.000 0.988 194 L CA -0.619 53.959 54.840 -0.435 0.000 0.824 194 L CB 1.830 43.498 42.059 -0.650 0.000 1.263 194 L HN 0.556 nan 8.230 nan 0.000 0.410 195 E N 3.672 123.626 120.200 -0.411 0.000 2.114 195 E HA 0.415 4.765 4.350 -0.000 0.000 0.266 195 E C -1.151 175.274 176.600 -0.292 0.000 0.896 195 E CA -0.478 55.792 56.400 -0.218 0.000 0.750 195 E CB 1.522 31.140 29.700 -0.136 0.000 1.121 195 E HN 0.245 nan 8.360 nan 0.000 0.413 196 F N 1.319 121.284 119.950 0.025 0.000 2.370 196 F HA 0.410 4.937 4.527 -0.000 0.000 0.319 196 F C 1.077 176.888 175.800 0.019 0.000 1.129 196 F CA -0.756 57.271 58.000 0.045 0.000 1.109 196 F CB 0.694 39.800 39.000 0.177 0.000 1.262 196 F HN 0.404 nan 8.300 nan 0.000 0.534 197 A N 1.681 124.626 122.820 0.209 0.000 2.406 197 A HA 0.447 4.767 4.320 -0.000 0.000 0.243 197 A C -0.311 177.281 177.584 0.013 0.000 1.082 197 A CA -0.299 51.814 52.037 0.127 0.000 0.786 197 A CB -0.093 19.031 19.000 0.207 0.000 1.029 197 A HN 0.865 nan 8.150 nan 0.000 0.495 198 N N -0.408 118.362 118.700 0.117 0.000 3.102 198 N HA 0.246 4.986 4.740 -0.000 0.000 0.299 198 N C -0.041 175.673 175.510 0.341 0.000 1.482 198 N CA -0.859 52.285 53.050 0.158 0.000 0.785 198 N CB 0.258 38.828 38.487 0.137 0.000 1.680 198 N HN 0.303 nan 8.380 nan 0.000 0.594 199 N N -0.381 118.555 118.700 0.393 0.000 2.443 199 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 199 N C 0.271 175.943 175.510 0.270 0.000 1.037 199 N CA 0.791 54.086 53.050 0.408 0.000 0.896 199 N CB -0.531 38.209 38.487 0.421 0.000 0.959 199 N HN 0.582 nan 8.380 nan 0.000 0.442 200 N N -0.567 118.241 118.700 0.179 0.000 2.305 200 N HA -0.067 4.673 4.740 -0.000 0.000 0.179 200 N C 1.783 177.347 175.510 0.090 0.000 1.019 200 N CA 1.372 54.504 53.050 0.137 0.000 0.869 200 N CB 0.028 38.583 38.487 0.112 0.000 1.000 200 N HN 0.275 nan 8.380 nan 0.000 0.431 201 T N -1.416 113.178 114.554 0.067 0.000 2.978 201 T HA 0.191 4.541 4.350 -0.000 0.000 0.262 201 T C 1.954 176.637 174.700 -0.029 0.000 1.063 201 T CA 0.613 62.740 62.100 0.045 0.000 1.140 201 T CB -0.134 68.778 68.868 0.074 0.000 0.886 201 T HN 0.113 nan 8.240 nan 0.000 0.470 202 A N 0.710 123.422 122.820 -0.180 0.000 2.066 202 A HA 0.383 4.703 4.320 -0.000 0.000 0.218 202 A C 0.257 177.487 177.584 -0.590 0.000 1.157 202 A CA 0.201 51.961 52.037 -0.461 0.000 0.670 202 A CB -0.500 18.052 19.000 -0.746 0.000 0.804 202 A HN 0.524 nan 8.150 nan 0.000 0.453 203 F N -0.701 119.314 119.950 0.108 0.000 2.467 203 F HA 0.678 5.205 4.527 0.000 0.000 0.336 203 F C 0.254 176.090 175.800 0.060 0.000 1.123 203 F CA -1.565 56.479 58.000 0.074 0.000 0.964 203 F CB 1.490 40.514 39.000 0.040 0.000 1.136 203 F HN 0.073 nan 8.300 nan 0.000 0.447 204 A N 2.020 124.971 122.820 0.218 0.000 2.331 204 A HA 0.869 5.189 4.320 -0.000 0.000 0.320 204 A C -0.244 177.399 177.584 0.100 0.000 1.138 204 A CA -0.621 51.490 52.037 0.124 0.000 0.790 204 A CB 0.691 19.733 19.000 0.070 0.000 1.206 204 A HN 0.965 nan 8.150 nan 0.000 0.470 205 A N 1.683 124.548 122.820 0.075 0.000 2.346 205 A HA 0.530 4.850 4.320 -0.000 0.000 0.252 205 A C 0.446 178.047 177.584 0.028 0.000 1.089 205 A CA -0.273 51.791 52.037 0.045 0.000 0.797 205 A CB -0.016 19.008 19.000 0.041 0.000 1.047 205 A HN 1.250 nan 8.150 nan 0.000 0.494 206 V N 1.266 121.186 119.914 0.010 0.000 2.694 206 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 206 V C 1.733 177.832 176.094 0.007 0.000 1.054 206 V CA 1.854 64.156 62.300 0.004 0.000 1.161 206 V CB -0.021 31.797 31.823 -0.008 0.000 0.916 206 V HN 1.973 nan 8.190 nan 0.000 0.490 207 G N 3.208 112.012 108.800 0.006 0.000 2.253 207 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.251 207 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.251 207 G C 0.480 175.384 174.900 0.006 0.000 0.998 207 G CA 0.330 45.431 45.100 0.002 0.000 0.621 207 G HN 1.529 nan 8.290 nan 0.000 0.524 208 A N -0.077 122.753 122.820 0.017 0.000 2.272 208 A HA 0.614 4.933 4.320 -0.000 0.000 0.275 208 A C 0.580 178.180 177.584 0.027 0.000 1.096 208 A CA 0.261 52.311 52.037 0.022 0.000 0.822 208 A CB 0.277 19.298 19.000 0.035 0.000 1.088 208 A HN 0.565 nan 8.150 nan 0.000 0.495 209 N N 1.001 119.720 118.700 0.031 0.000 2.431 209 N HA 0.146 4.886 4.740 -0.000 0.000 0.265 209 N C -1.769 173.767 175.510 0.044 0.000 1.184 209 N CA -1.410 51.673 53.050 0.055 0.000 0.943 209 N CB 1.019 39.536 38.487 0.050 0.000 1.080 209 N HN 0.337 nan 8.380 nan 0.000 0.477 210 P HA -0.018 nan 4.420 nan 0.000 0.255 210 P C 1.541 178.679 177.300 -0.270 0.000 1.248 210 P CA -0.128 62.913 63.100 -0.097 0.000 0.807 210 P CB 0.468 32.092 31.700 -0.127 0.000 1.150 211 L N 1.683 122.771 121.223 -0.226 0.000 2.010 211 L HA -0.204 4.136 4.340 -0.000 0.000 0.219 211 L C 1.680 178.333 176.870 -0.361 0.000 1.077 211 L CA 2.190 56.773 54.840 -0.429 0.000 0.773 211 L CB -0.925 41.110 42.059 -0.040 0.000 0.892 211 L HN -0.025 nan 8.230 nan 0.000 0.436 212 E N -0.590 119.562 120.200 -0.080 0.000 2.501 212 E HA 0.315 4.665 4.350 -0.000 0.000 0.201 212 E C 0.536 177.164 176.600 0.046 0.000 1.016 212 E CA 0.280 56.722 56.400 0.070 0.000 0.920 212 E CB 0.240 30.034 29.700 0.157 0.000 1.023 212 E HN 0.562 nan 8.360 nan 0.000 0.474 213 A N 0.913 123.715 122.820 -0.030 0.000 2.271 213 A HA 0.428 4.748 4.320 -0.000 0.000 0.288 213 A C 0.923 178.489 177.584 -0.030 0.000 1.094 213 A CA -0.350 51.675 52.037 -0.020 0.000 0.828 213 A CB 0.490 19.486 19.000 -0.006 0.000 1.091 213 A HN 0.106 nan 8.150 nan 0.000 0.493 214 I N -1.671 118.886 120.570 -0.023 0.000 3.039 214 I HA 0.137 4.307 4.170 -0.000 0.000 0.270 214 I C -0.434 175.551 176.117 -0.219 0.000 1.150 214 I CA 0.576 61.832 61.300 -0.075 0.000 1.448 214 I CB 0.036 38.048 38.000 0.020 0.000 1.197 214 I HN 0.579 nan 8.210 nan 0.000 0.450 215 Y N 0.533 120.893 120.300 0.100 0.000 2.512 215 Y HA 0.569 5.119 4.550 -0.000 0.000 0.348 215 Y C -0.265 175.711 175.900 0.127 0.000 0.990 215 Y CA -0.748 57.431 58.100 0.131 0.000 1.033 215 Y CB 1.761 40.338 38.460 0.195 0.000 1.259 215 Y HN -0.062 nan 8.280 nan 0.000 0.461 216 Q N 1.446 121.379 119.800 0.222 0.000 2.389 216 Q HA 0.782 5.122 4.340 -0.000 0.000 0.277 216 Q C -0.996 175.058 176.000 0.090 0.000 1.082 216 Q CA -0.675 55.205 55.803 0.128 0.000 0.810 216 Q CB 2.706 31.478 28.738 0.056 0.000 1.374 216 Q HN 0.970 nan 8.270 nan 0.000 0.422 217 G N 0.318 109.144 108.800 0.043 0.000 2.336 217 G HA2 0.357 4.317 3.960 -0.000 0.000 0.300 217 G HA3 0.357 4.317 3.960 -0.000 0.000 0.300 217 G C -0.281 174.583 174.900 -0.060 0.000 1.375 217 G CA -0.138 44.958 45.100 -0.008 0.000 0.885 217 G HN 0.715 nan 8.290 nan 0.000 0.599 218 A N -0.822 121.934 122.820 -0.107 0.000 2.125 218 A HA 0.326 4.646 4.320 -0.000 0.000 0.219 218 A C 2.209 179.580 177.584 -0.354 0.000 1.156 218 A CA 2.638 54.569 52.037 -0.177 0.000 0.671 218 A CB -0.400 18.496 19.000 -0.173 0.000 0.794 218 A HN 1.995 nan 8.150 nan 0.000 0.459 219 G N -1.648 106.939 108.800 -0.356 0.000 3.284 219 G HA2 0.352 4.312 3.960 -0.000 0.000 0.236 219 G HA3 0.352 4.312 3.960 -0.000 0.000 0.236 219 G C 1.226 176.015 174.900 -0.185 0.000 1.158 219 G CA 0.811 45.646 45.100 -0.442 0.000 0.774 219 G HN 0.592 nan 8.290 nan 0.000 0.545 220 A N 1.350 124.097 122.820 -0.121 0.000 1.908 220 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 220 A C 2.778 180.333 177.584 -0.048 0.000 1.181 220 A CA 2.161 54.160 52.037 -0.064 0.000 0.627 220 A CB -0.689 18.342 19.000 0.053 0.000 0.818 220 A HN 0.764 nan 8.150 nan 0.000 0.445 221 A N -0.271 122.560 122.820 0.017 0.000 1.948 221 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 221 A C 1.288 178.881 177.584 0.014 0.000 1.177 221 A CA 1.821 53.888 52.037 0.049 0.000 0.636 221 A CB -0.403 18.644 19.000 0.079 0.000 0.815 221 A HN 0.481 nan 8.150 nan 0.000 0.449 222 D N -1.112 119.289 120.400 0.000 0.000 2.427 222 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 222 D C -0.507 175.678 176.300 -0.192 0.000 1.157 222 D CA -0.043 53.926 54.000 -0.053 0.000 0.828 222 D CB -0.226 40.568 40.800 -0.010 0.000 0.974 222 D HN 0.261 nan 8.370 nan 0.000 0.498 223 C N 1.773 120.833 119.300 -0.400 0.000 2.365 223 C HA 0.529 4.989 4.460 -0.000 0.000 0.351 223 C C 0.424 174.978 174.990 -0.727 0.000 1.240 223 C CA -0.574 57.946 59.018 -0.829 0.000 2.062 223 C CB 0.604 27.354 27.740 -1.649 0.000 2.387 223 C HN 0.386 nan 8.230 nan 0.000 0.537 224 E N 1.641 121.576 120.200 -0.441 0.000 2.375 224 E HA 0.455 4.805 4.350 -0.000 0.000 0.280 224 E C -1.583 175.071 176.600 0.089 0.000 0.972 224 E CA -0.664 55.757 56.400 0.035 0.000 0.782 224 E CB 0.714 30.459 29.700 0.075 0.000 1.229 224 E HN 0.371 nan 8.360 nan 0.000 0.439 225 F N 1.573 121.689 119.950 0.278 0.000 2.471 225 F HA 0.126 4.653 4.527 0.000 0.000 0.353 225 F C 1.729 177.573 175.800 0.075 0.000 1.113 225 F CA 0.106 58.208 58.000 0.169 0.000 1.262 225 F CB 0.866 39.943 39.000 0.128 0.000 1.146 225 F HN 0.539 nan 8.300 nan 0.000 0.578 226 E N 1.230 121.564 120.200 0.222 0.000 2.251 226 E HA 0.036 4.385 4.350 -0.000 0.000 0.194 226 E C -0.109 176.538 176.600 0.078 0.000 0.964 226 E CA 0.557 57.023 56.400 0.109 0.000 0.868 226 E CB 0.332 30.065 29.700 0.055 0.000 0.828 226 E HN 0.827 nan 8.360 nan 0.000 0.481 227 E N -0.682 119.564 120.200 0.077 0.000 2.398 227 E HA 0.420 4.770 4.350 -0.000 0.000 0.280 227 E C -1.236 175.237 176.600 -0.212 0.000 1.122 227 E CA -0.485 55.853 56.400 -0.105 0.000 0.873 227 E CB 0.614 30.241 29.700 -0.123 0.000 1.294 227 E HN -0.126 nan 8.360 nan 0.000 0.435 228 I N 0.979 121.175 120.570 -0.625 0.000 2.769 228 I HA 0.586 4.755 4.170 -0.000 0.000 0.298 228 I C -0.976 174.595 176.117 -0.911 0.000 1.128 228 I CA -0.944 59.898 61.300 -0.763 0.000 1.031 228 I CB 2.250 39.588 38.000 -1.104 0.000 1.235 228 I HN 0.578 nan 8.210 nan 0.000 0.423 229 S N 4.096 119.483 115.700 -0.522 0.000 2.546 229 S HA 0.764 5.234 4.470 -0.000 0.000 0.274 229 S C -1.590 172.893 174.600 -0.195 0.000 1.121 229 S CA -0.441 57.519 58.200 -0.399 0.000 0.887 229 S CB 1.436 64.478 63.200 -0.263 0.000 1.094 229 S HN 0.490 nan 8.310 nan 0.000 0.474 230 Y N -0.034 120.149 120.300 -0.195 0.000 2.581 230 Y HA 0.854 5.404 4.550 -0.000 0.000 0.345 230 Y C -0.897 174.965 175.900 -0.062 0.000 1.036 230 Y CA -0.902 57.153 58.100 -0.075 0.000 1.042 230 Y CB 1.462 39.946 38.460 0.040 0.000 1.289 230 Y HN 0.439 nan 8.280 nan 0.000 0.471 231 T N 2.486 117.174 114.554 0.222 0.000 3.011 231 T HA 0.474 4.824 4.350 -0.000 0.000 0.303 231 T C -1.504 173.284 174.700 0.147 0.000 0.997 231 T CA -0.625 61.512 62.100 0.062 0.000 1.007 231 T CB 1.276 70.115 68.868 -0.049 0.000 1.017 231 T HN 0.634 nan 8.240 nan 0.000 0.443 232 V N 4.232 124.220 119.914 0.123 0.000 2.394 232 V HA 0.472 4.592 4.120 -0.000 0.000 0.282 232 V C -1.031 175.093 176.094 0.049 0.000 1.031 232 V CA -0.673 61.724 62.300 0.163 0.000 0.881 232 V CB 0.675 32.590 31.823 0.152 0.000 0.982 232 V HN 0.795 nan 8.190 nan 0.000 0.451 233 Y N 3.015 123.499 120.300 0.307 0.000 2.352 233 Y HA 0.482 5.032 4.550 -0.000 0.000 0.339 233 Y C 0.295 176.392 175.900 0.329 0.000 0.992 233 Y CA -0.392 57.882 58.100 0.291 0.000 1.100 233 Y CB 1.704 40.327 38.460 0.273 0.000 1.192 233 Y HN 0.579 nan 8.280 nan 0.000 0.458 234 Q N 2.246 122.307 119.800 0.436 0.000 2.290 234 Q HA 0.428 4.767 4.340 -0.000 0.000 0.259 234 Q C -0.843 175.295 176.000 0.230 0.000 0.941 234 Q CA -0.524 55.441 55.803 0.270 0.000 0.912 234 Q CB 1.217 30.154 28.738 0.331 0.000 1.244 234 Q HN 0.651 nan 8.270 nan 0.000 0.441 235 S N 4.500 120.231 115.700 0.051 0.000 2.429 235 S HA 0.592 5.062 4.470 -0.000 0.000 0.302 235 S C -1.363 173.293 174.600 0.093 0.000 1.115 235 S CA -0.371 57.889 58.200 0.100 0.000 1.095 235 S CB 0.169 63.538 63.200 0.282 0.000 0.987 235 S HN 0.571 nan 8.310 nan 0.000 0.474 236 Y N 2.174 122.464 120.300 -0.015 0.000 2.705 236 Y HA 0.695 5.245 4.550 -0.000 0.000 0.332 236 Y C -1.844 174.058 175.900 0.002 0.000 1.221 236 Y CA -1.555 56.531 58.100 -0.023 0.000 1.059 236 Y CB 0.827 39.275 38.460 -0.021 0.000 1.298 236 Y HN 0.393 nan 8.280 nan 0.000 0.459 237 L N 2.483 123.833 121.223 0.212 0.000 2.296 237 L HA 0.453 4.793 4.340 -0.000 0.000 0.286 237 L C -0.996 176.036 176.870 0.271 0.000 1.023 237 L CA -0.454 54.458 54.840 0.120 0.000 0.812 237 L CB 1.367 43.480 42.059 0.090 0.000 1.223 237 L HN 0.680 nan 8.230 nan 0.000 0.421 238 D N 1.651 122.176 120.400 0.209 0.000 2.326 238 D HA 0.270 4.910 4.640 -0.000 0.000 0.248 238 D C -0.602 175.822 176.300 0.206 0.000 1.001 238 D CA 0.049 54.217 54.000 0.279 0.000 0.961 238 D CB 1.145 42.126 40.800 0.302 0.000 1.183 238 D HN 0.402 nan 8.370 nan 0.000 0.502 239 Q N 0.371 120.288 119.800 0.194 0.000 2.457 239 Q HA -0.178 4.162 4.340 -0.000 0.000 0.333 239 Q C -0.567 175.522 176.000 0.149 0.000 1.448 239 Q CA 0.119 56.014 55.803 0.153 0.000 0.891 239 Q CB -1.300 27.509 28.738 0.118 0.000 1.142 239 Q HN 0.444 nan 8.270 nan 0.000 0.375 240 L N 2.320 123.668 121.223 0.208 0.000 2.455 240 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 240 L C -1.147 175.790 176.870 0.111 0.000 1.174 240 L CA -1.534 53.438 54.840 0.221 0.000 0.869 240 L CB -0.281 42.002 42.059 0.373 0.000 1.130 240 L HN 0.122 nan 8.230 nan 0.000 0.474 241 P HA 0.070 nan 4.420 nan 0.000 0.268 241 P C -0.826 176.388 177.300 -0.144 0.000 1.204 241 P CA -0.069 63.013 63.100 -0.030 0.000 0.768 241 P CB 1.181 32.886 31.700 0.009 0.000 0.842 242 V N 3.035 122.799 119.914 -0.252 0.000 2.540 242 V HA 0.682 4.801 4.120 -0.000 0.000 0.302 242 V C 0.883 176.877 176.094 -0.167 0.000 1.035 242 V CA -0.227 61.856 62.300 -0.363 0.000 0.873 242 V CB 1.717 33.188 31.823 -0.586 0.000 0.992 242 V HN 0.862 nan 8.190 nan 0.000 0.428 243 G N 1.985 110.723 108.800 -0.104 0.000 3.119 243 G HA2 0.553 4.513 3.960 -0.000 0.000 0.206 243 G HA3 0.553 4.513 3.960 -0.000 0.000 0.206 243 G C 0.697 175.575 174.900 -0.037 0.000 1.313 243 G CA 0.525 45.593 45.100 -0.053 0.000 1.010 243 G HN 0.736 nan 8.290 nan 0.000 0.578 244 Q N -1.709 118.080 119.800 -0.018 0.000 2.002 244 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 244 Q C 2.382 178.382 176.000 0.000 0.000 0.988 244 Q CA 2.681 58.479 55.803 -0.009 0.000 0.843 244 Q CB -1.843 26.893 28.738 -0.004 0.000 0.908 244 Q HN 1.224 nan 8.270 nan 0.000 0.420 245 N N -0.232 118.473 118.700 0.009 0.000 2.461 245 N HA 0.449 5.189 4.740 -0.000 0.000 0.188 245 N C 1.247 176.781 175.510 0.039 0.000 1.134 245 N CA 1.216 54.279 53.050 0.022 0.000 0.878 245 N CB 0.026 38.527 38.487 0.024 0.000 0.972 245 N HN 1.542 nan 8.380 nan 0.000 0.456 246 G N -1.278 107.539 108.800 0.027 0.000 2.396 246 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.254 246 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.254 246 G C -0.953 173.981 174.900 0.057 0.000 1.248 246 G CA -0.556 44.579 45.100 0.057 0.000 1.033 246 G HN 0.452 nan 8.290 nan 0.000 0.502 247 Y N -0.148 120.162 120.300 0.017 0.000 2.805 247 Y HA 0.287 4.837 4.550 -0.000 0.000 0.331 247 Y C 1.456 177.367 175.900 0.018 0.000 1.241 247 Y CA 0.496 58.608 58.100 0.020 0.000 1.546 247 Y CB 0.148 38.622 38.460 0.023 0.000 1.248 247 Y HN 0.424 nan 8.280 nan 0.000 0.559 248 I N 5.655 126.302 120.570 0.128 0.000 2.396 248 I HA 0.157 4.327 4.170 -0.000 0.000 0.289 248 I C -0.289 175.890 176.117 0.104 0.000 1.056 248 I CA 0.317 61.669 61.300 0.086 0.000 1.365 248 I CB -0.107 37.920 38.000 0.046 0.000 1.407 248 I HN 0.353 nan 8.210 nan 0.000 0.509 249 L N 8.310 129.581 121.223 0.080 0.000 2.422 249 L HA 0.507 4.847 4.340 -0.000 0.000 0.264 249 L C -2.429 174.463 176.870 0.036 0.000 0.984 249 L CA -1.700 53.178 54.840 0.064 0.000 0.819 249 L CB 2.636 44.734 42.059 0.064 0.000 1.330 249 L HN 0.365 nan 8.230 nan 0.000 0.410 250 P HA 0.175 nan 4.420 nan 0.000 0.256 250 P C 0.836 178.136 177.300 -0.001 0.000 1.689 250 P CA -0.285 62.818 63.100 0.006 0.000 1.124 250 P CB 0.571 32.270 31.700 -0.001 0.000 1.766 251 L N 2.312 123.536 121.223 0.002 0.000 2.051 251 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 251 L C 2.381 179.242 176.870 -0.015 0.000 1.076 251 L CA 1.658 56.497 54.840 -0.001 0.000 0.758 251 L CB -0.629 41.431 42.059 0.002 0.000 0.890 251 L HN 0.254 nan 8.230 nan 0.000 0.433 252 I N -0.657 119.895 120.570 -0.030 0.000 2.286 252 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 252 I C 2.113 178.185 176.117 -0.075 0.000 1.104 252 I CA 0.999 62.267 61.300 -0.054 0.000 1.397 252 I CB -0.431 37.527 38.000 -0.069 0.000 1.072 252 I HN 0.214 nan 8.210 nan 0.000 0.417 253 D N 1.294 121.651 120.400 -0.072 0.000 2.092 253 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 253 D C 2.206 178.482 176.300 -0.040 0.000 0.994 253 D CA 1.443 55.395 54.000 -0.081 0.000 0.828 253 D CB -0.382 40.389 40.800 -0.050 0.000 0.963 253 D HN 0.258 nan 8.370 nan 0.000 0.450 254 L N 0.426 121.644 121.223 -0.008 0.000 2.456 254 L HA -0.037 4.303 4.340 -0.000 0.000 0.224 254 L C 1.648 178.536 176.870 0.029 0.000 1.148 254 L CA 0.792 55.645 54.840 0.023 0.000 0.825 254 L CB -0.254 41.820 42.059 0.025 0.000 0.937 254 L HN 0.043 nan 8.230 nan 0.000 0.450 255 S N -3.300 112.402 115.700 0.003 0.000 2.593 255 S HA 0.158 4.627 4.470 -0.000 0.000 0.236 255 S C 0.557 175.149 174.600 -0.013 0.000 0.991 255 S CA -0.556 57.647 58.200 0.006 0.000 0.963 255 S CB 0.147 63.347 63.200 0.000 0.000 0.865 255 S HN 0.096 nan 8.310 nan 0.000 0.488 256 T N 2.806 117.341 114.554 -0.032 0.000 2.855 256 T HA 0.600 4.950 4.350 -0.000 0.000 0.281 256 T C -0.554 174.136 174.700 -0.016 0.000 1.007 256 T CA -0.584 61.479 62.100 -0.061 0.000 1.009 256 T CB 1.341 70.101 68.868 -0.179 0.000 0.983 256 T HN 0.245 nan 8.240 nan 0.000 0.455 257 L N 2.939 124.156 121.223 -0.010 0.000 2.309 257 L HA 0.499 4.838 4.340 -0.000 0.000 0.282 257 L C -1.032 175.934 176.870 0.161 0.000 1.036 257 L CA -1.105 53.718 54.840 -0.030 0.000 0.806 257 L CB 0.883 42.815 42.059 -0.212 0.000 1.220 257 L HN 0.623 nan 8.230 nan 0.000 0.429 258 Y N 4.202 124.556 120.300 0.089 0.000 2.388 258 Y HA 0.491 5.041 4.550 -0.000 0.000 0.328 258 Y C -0.902 174.945 175.900 -0.088 0.000 0.963 258 Y CA -1.145 57.059 58.100 0.173 0.000 1.240 258 Y CB 0.656 39.354 38.460 0.397 0.000 1.118 258 Y HN 0.543 nan 8.280 nan 0.000 0.484 259 N N 5.693 123.939 118.700 -0.757 0.000 2.405 259 N HA 0.599 5.338 4.740 -0.000 0.000 0.285 259 N C -1.631 173.353 175.510 -0.877 0.000 1.262 259 N CA -0.672 51.879 53.050 -0.832 0.000 0.773 259 N CB 2.299 40.347 38.487 -0.733 0.000 1.490 259 N HN 0.548 nan 8.380 nan 0.000 0.486 260 L N 0.463 121.379 121.223 -0.512 0.000 2.365 260 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 260 L C -0.197 176.662 176.870 -0.018 0.000 1.000 260 L CA -0.567 54.145 54.840 -0.215 0.000 0.819 260 L CB 1.973 43.863 42.059 -0.282 0.000 1.284 260 L HN 0.425 nan 8.230 nan 0.000 0.418 261 E N 2.498 122.833 120.200 0.225 0.000 2.413 261 E HA 0.388 4.738 4.350 -0.000 0.000 0.277 261 E C -1.579 175.118 176.600 0.163 0.000 0.958 261 E CA -0.897 55.624 56.400 0.203 0.000 0.779 261 E CB 3.202 33.071 29.700 0.281 0.000 1.278 261 E HN 0.670 nan 8.360 nan 0.000 0.456 262 N N 0.012 118.739 118.700 0.046 0.000 2.242 262 N HA 0.463 5.203 4.740 -0.000 0.000 0.292 262 N C -1.319 174.219 175.510 0.047 0.000 1.125 262 N CA -0.590 52.414 53.050 -0.076 0.000 0.783 262 N CB 2.152 40.469 38.487 -0.283 0.000 1.558 262 N HN 0.468 nan 8.380 nan 0.000 0.472 263 S N -0.425 115.318 115.700 0.071 0.000 2.651 263 S HA 0.892 5.362 4.470 -0.000 0.000 0.279 263 S C -1.107 173.561 174.600 0.113 0.000 1.148 263 S CA -0.954 57.314 58.200 0.113 0.000 0.837 263 S CB 1.488 64.784 63.200 0.160 0.000 1.138 263 S HN 0.994 nan 8.310 nan 0.000 0.478 264 A N 0.943 123.836 122.820 0.121 0.000 2.340 264 A HA 0.840 5.160 4.320 -0.000 0.000 0.331 264 A C -0.954 176.711 177.584 0.134 0.000 1.140 264 A CA -0.699 51.416 52.037 0.130 0.000 0.801 264 A CB 1.190 20.266 19.000 0.126 0.000 1.234 264 A HN 0.673 nan 8.150 nan 0.000 0.469 265 Q N -0.080 119.818 119.800 0.164 0.000 2.305 265 Q HA 0.673 5.013 4.340 -0.000 0.000 0.271 265 Q C -0.772 175.370 176.000 0.237 0.000 1.046 265 Q CA -0.423 55.529 55.803 0.247 0.000 0.798 265 Q CB 2.210 31.161 28.738 0.354 0.000 1.286 265 Q HN 1.026 nan 8.270 nan 0.000 0.435 266 A N -0.188 122.775 122.820 0.238 0.000 2.435 266 A HA 0.932 5.252 4.320 -0.000 0.000 0.296 266 A C 0.289 177.965 177.584 0.153 0.000 1.147 266 A CA -0.198 51.884 52.037 0.075 0.000 0.775 266 A CB 1.542 20.569 19.000 0.045 0.000 1.340 266 A HN 1.046 nan 8.150 nan 0.000 0.427 267 G N -0.816 107.973 108.800 -0.018 0.000 2.186 267 G HA2 0.026 3.986 3.960 -0.000 0.000 0.130 267 G HA3 0.026 3.986 3.960 -0.000 0.000 0.130 267 G C -0.529 174.358 174.900 -0.022 0.000 1.031 267 G CA -0.105 45.044 45.100 0.081 0.000 0.697 267 G HN 0.763 nan 8.290 nan 0.000 0.494 268 L N 1.385 122.406 121.223 -0.337 0.000 2.349 268 L HA 0.703 5.043 4.340 -0.000 0.000 0.275 268 L C 0.626 177.416 176.870 -0.132 0.000 1.115 268 L CA 0.166 54.781 54.840 -0.375 0.000 0.820 268 L CB 1.606 43.334 42.059 -0.552 0.000 1.135 268 L HN 0.167 nan 8.230 nan 0.000 0.445 269 T N 2.872 117.381 114.554 -0.074 0.000 2.893 269 T HA 0.405 4.755 4.350 -0.000 0.000 0.293 269 T C -2.625 172.044 174.700 -0.052 0.000 1.027 269 T CA -1.453 60.622 62.100 -0.041 0.000 0.988 269 T CB 1.941 70.804 68.868 -0.009 0.000 1.043 269 T HN 0.212 nan 8.240 nan 0.000 0.461 270 P HA 0.123 nan 4.420 nan 0.000 0.261 270 P C 0.252 177.522 177.300 -0.050 0.000 1.183 270 P CA 0.565 63.637 63.100 -0.046 0.000 0.761 270 P CB -0.052 31.630 31.700 -0.029 0.000 0.785 271 N N -0.873 117.781 118.700 -0.077 0.000 2.863 271 N HA -0.152 4.588 4.740 -0.000 0.000 0.245 271 N C -0.691 174.779 175.510 -0.066 0.000 1.001 271 N CA 0.228 53.233 53.050 -0.075 0.000 0.901 271 N CB -1.246 37.220 38.487 -0.035 0.000 1.124 271 N HN 0.140 nan 8.380 nan 0.000 0.582 272 V N 1.098 120.973 119.914 -0.064 0.000 2.435 272 V HA 0.240 4.360 4.120 -0.000 0.000 0.290 272 V C 0.043 176.112 176.094 -0.042 0.000 1.030 272 V CA -0.638 61.642 62.300 -0.032 0.000 0.881 272 V CB 1.672 33.494 31.823 -0.001 0.000 0.983 272 V HN 0.025 nan 8.190 nan 0.000 0.445 273 D N 3.517 123.902 120.400 -0.026 0.000 2.434 273 D HA 0.125 4.765 4.640 -0.000 0.000 0.252 273 D C -0.514 175.809 176.300 0.037 0.000 1.185 273 D CA 0.427 54.413 54.000 -0.025 0.000 0.886 273 D CB 0.390 41.198 40.800 0.012 0.000 1.148 273 D HN 0.357 nan 8.370 nan 0.000 0.483 274 F N 3.488 123.352 119.950 -0.143 0.000 2.391 274 F HA 0.322 4.849 4.527 -0.000 0.000 0.359 274 F C -0.631 175.122 175.800 -0.078 0.000 1.122 274 F CA -0.804 57.129 58.000 -0.113 0.000 1.120 274 F CB 0.788 39.695 39.000 -0.156 0.000 1.142 274 F HN 0.005 nan 8.300 nan 0.000 0.483 275 V N 7.098 126.732 119.914 -0.466 0.000 2.378 275 V HA 0.347 4.467 4.120 -0.000 0.000 0.288 275 V C -0.585 175.257 176.094 -0.420 0.000 1.016 275 V CA -0.908 61.200 62.300 -0.320 0.000 0.840 275 V CB 1.361 33.078 31.823 -0.175 0.000 0.994 275 V HN 0.493 nan 8.190 nan 0.000 0.431 276 V N 5.745 125.509 119.914 -0.249 0.000 2.318 276 V HA 0.296 4.416 4.120 -0.000 0.000 0.271 276 V C 0.203 176.197 176.094 -0.167 0.000 1.030 276 V CA -0.736 61.436 62.300 -0.214 0.000 0.844 276 V CB 1.073 32.833 31.823 -0.105 0.000 1.015 276 V HN 0.844 nan 8.190 nan 0.000 0.460 277 Q N 3.345 123.057 119.800 -0.148 0.000 2.392 277 Q HA 0.209 4.549 4.340 -0.000 0.000 0.262 277 Q C -0.840 175.060 176.000 -0.166 0.000 1.003 277 Q CA -0.018 55.734 55.803 -0.085 0.000 0.888 277 Q CB 0.709 29.410 28.738 -0.060 0.000 1.260 277 Q HN 0.631 nan 8.270 nan 0.000 0.435 278 Y N 0.173 120.384 120.300 -0.148 0.000 2.504 278 Y HA 0.263 4.813 4.550 -0.000 0.000 0.351 278 Y C 0.670 176.479 175.900 -0.152 0.000 0.988 278 Y CA -0.491 57.416 58.100 -0.322 0.000 1.239 278 Y CB 0.709 38.870 38.460 -0.500 0.000 1.128 278 Y HN 0.681 nan 8.280 nan 0.000 0.525 279 A N 4.135 126.932 122.820 -0.039 0.000 3.046 279 A HA 0.017 4.337 4.320 -0.000 0.000 0.259 279 A C 1.039 178.573 177.584 -0.085 0.000 1.843 279 A CA -0.212 51.782 52.037 -0.071 0.000 1.451 279 A CB -1.206 17.718 19.000 -0.126 0.000 1.025 279 A HN 0.905 nan 8.150 nan 0.000 0.625 280 N N 0.742 119.489 118.700 0.078 0.000 2.355 280 N HA -0.093 4.647 4.740 -0.000 0.000 0.225 280 N C 1.026 176.438 175.510 -0.163 0.000 1.231 280 N CA 1.715 54.853 53.050 0.146 0.000 0.786 280 N CB -0.129 38.436 38.487 0.131 0.000 0.850 280 N HN 0.576 nan 8.380 nan 0.000 0.360 281 L N -4.985 116.209 121.223 -0.049 0.000 4.110 281 L HA -0.277 4.063 4.340 -0.000 0.000 0.404 281 L C -0.764 176.281 176.870 0.291 0.000 0.763 281 L CA 0.482 55.330 54.840 0.013 0.000 2.413 281 L CB -1.451 40.527 42.059 -0.136 0.000 1.244 281 L HN 0.408 nan 8.230 nan 0.000 0.614 282 Y N 0.684 121.013 120.300 0.049 0.000 2.453 282 Y HA 0.559 5.109 4.550 -0.000 0.000 0.326 282 Y C 1.045 176.954 175.900 0.015 0.000 1.186 282 Y CA -1.232 56.759 58.100 -0.181 0.000 1.200 282 Y CB 0.888 38.795 38.460 -0.921 0.000 1.247 282 Y HN -0.066 nan 8.280 nan 0.000 0.482 283 R N 2.294 122.888 120.500 0.157 0.000 2.280 283 R HA 0.263 4.603 4.340 -0.000 0.000 0.326 283 R C -1.576 174.802 176.300 0.129 0.000 1.080 283 R CA -0.525 55.668 56.100 0.154 0.000 1.002 283 R CB 0.077 30.430 30.300 0.089 0.000 1.136 283 R HN 0.496 nan 8.270 nan 0.000 0.509 284 Y N 3.388 123.830 120.300 0.238 0.000 2.584 284 Y HA -0.005 4.545 4.550 -0.000 0.000 0.351 284 Y C 1.437 177.439 175.900 0.170 0.000 1.030 284 Y CA -0.146 58.115 58.100 0.269 0.000 1.332 284 Y CB 0.408 39.063 38.460 0.325 0.000 1.148 284 Y HN 0.480 nan 8.280 nan 0.000 0.528 285 L N 1.877 123.236 121.223 0.226 0.000 2.109 285 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 285 L C 0.871 177.873 176.870 0.220 0.000 1.086 285 L CA 0.872 55.786 54.840 0.124 0.000 0.760 285 L CB -0.182 41.866 42.059 -0.018 0.000 0.910 285 L HN 0.626 nan 8.230 nan 0.000 0.437 286 S N -2.170 113.724 115.700 0.322 0.000 2.570 286 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 286 S C -0.633 174.189 174.600 0.369 0.000 1.149 286 S CA -0.735 57.634 58.200 0.281 0.000 0.837 286 S CB 2.316 65.725 63.200 0.349 0.000 1.124 286 S HN -0.072 nan 8.310 nan 0.000 0.465 287 T N 2.081 116.770 114.554 0.224 0.000 2.881 287 T HA 0.594 4.944 4.350 -0.000 0.000 0.290 287 T C -0.916 173.787 174.700 0.005 0.000 1.000 287 T CA -0.447 61.734 62.100 0.136 0.000 0.978 287 T CB 0.859 69.832 68.868 0.175 0.000 0.997 287 T HN 0.658 nan 8.240 nan 0.000 0.443 288 I N 2.368 122.882 120.570 -0.094 0.000 2.465 288 I HA 0.693 4.863 4.170 -0.000 0.000 0.291 288 I C -0.293 175.701 176.117 -0.205 0.000 1.014 288 I CA -1.045 60.231 61.300 -0.041 0.000 1.093 288 I CB 1.729 39.791 38.000 0.103 0.000 1.267 288 I HN 0.710 nan 8.210 nan 0.000 0.431 289 A N 6.600 129.341 122.820 -0.131 0.000 2.332 289 A HA 0.715 5.035 4.320 -0.000 0.000 0.300 289 A C -0.953 176.718 177.584 0.145 0.000 1.153 289 A CA -0.465 51.510 52.037 -0.104 0.000 0.764 289 A CB 1.264 20.105 19.000 -0.266 0.000 1.174 289 A HN 0.406 nan 8.150 nan 0.000 0.467 290 V N 3.303 123.321 119.914 0.173 0.000 2.370 290 V HA 0.287 4.407 4.120 -0.000 0.000 0.279 290 V C -0.513 175.779 176.094 0.331 0.000 1.029 290 V CA -0.382 62.072 62.300 0.258 0.000 0.870 290 V CB 1.091 33.026 31.823 0.187 0.000 0.984 290 V HN 0.774 nan 8.190 nan 0.000 0.451 291 F N 5.205 125.265 119.950 0.184 0.000 2.515 291 F HA 0.341 4.868 4.527 0.000 0.000 0.353 291 F C 0.541 176.236 175.800 -0.173 0.000 1.213 291 F CA -1.751 56.269 58.000 0.034 0.000 1.194 291 F CB 0.013 39.060 39.000 0.079 0.000 1.488 291 F HN 0.589 nan 8.300 nan 0.000 0.619 292 D N 4.015 124.373 120.400 -0.070 0.000 2.470 292 D HA -0.039 4.601 4.640 -0.000 0.000 0.226 292 D C -0.107 175.830 176.300 -0.605 0.000 1.196 292 D CA 0.069 53.707 54.000 -0.604 0.000 0.979 292 D CB -0.377 40.296 40.800 -0.211 0.000 1.059 292 D HN 0.266 nan 8.370 nan 0.000 0.515 293 N N 2.550 120.660 118.700 -0.983 0.000 3.050 293 N HA 0.223 4.963 4.740 -0.000 0.000 0.289 293 N C 0.768 175.962 175.510 -0.526 0.000 1.209 293 N CA 0.407 52.932 53.050 -0.874 0.000 1.154 293 N CB -0.430 37.361 38.487 -1.161 0.000 1.444 293 N HN 0.557 nan 8.380 nan 0.000 0.529 294 G N 1.124 109.709 108.800 -0.359 0.000 2.305 294 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.287 294 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.287 294 G C 0.954 175.715 174.900 -0.231 0.000 1.036 294 G CA 0.519 45.478 45.100 -0.235 0.000 0.887 294 G HN 1.176 nan 8.290 nan 0.000 0.505 295 G N -2.194 106.420 108.800 -0.309 0.000 2.175 295 G HA2 0.103 4.063 3.960 -0.000 0.000 0.244 295 G HA3 0.103 4.063 3.960 -0.000 0.000 0.244 295 G C 0.581 175.362 174.900 -0.199 0.000 0.982 295 G CA 1.174 46.164 45.100 -0.183 0.000 0.641 295 G HN 2.474 nan 8.290 nan 0.000 0.527 296 S N -0.221 115.236 115.700 -0.405 0.000 2.482 296 S HA 0.816 5.286 4.470 -0.000 0.000 0.303 296 S C -0.767 173.508 174.600 -0.541 0.000 1.091 296 S CA -0.900 57.136 58.200 -0.275 0.000 1.057 296 S CB 1.809 64.887 63.200 -0.204 0.000 1.031 296 S HN 0.482 nan 8.310 nan 0.000 0.485 297 F N 2.264 122.118 119.950 -0.161 0.000 2.427 297 F HA 0.490 5.017 4.527 -0.000 0.000 0.348 297 F C 0.451 176.202 175.800 -0.083 0.000 1.125 297 F CA -0.865 57.052 58.000 -0.139 0.000 0.989 297 F CB 1.408 40.335 39.000 -0.121 0.000 1.165 297 F HN 0.530 nan 8.300 nan 0.000 0.442 298 N N 1.393 120.115 118.700 0.036 0.000 2.430 298 N HA 0.486 5.226 4.740 -0.000 0.000 0.298 298 N C -0.408 175.190 175.510 0.148 0.000 1.130 298 N CA -0.668 52.420 53.050 0.064 0.000 0.894 298 N CB 2.122 40.610 38.487 0.002 0.000 1.209 298 N HN 0.599 nan 8.380 nan 0.000 0.503 299 A N 0.583 123.480 122.820 0.129 0.000 3.063 299 A HA 0.458 4.778 4.320 -0.000 0.000 0.263 299 A C 1.344 179.050 177.584 0.203 0.000 1.736 299 A CA 0.255 52.384 52.037 0.153 0.000 1.408 299 A CB -1.409 17.656 19.000 0.108 0.000 1.108 299 A HN 0.899 nan 8.150 nan 0.000 0.621 300 G N 0.919 109.909 108.800 0.316 0.000 2.270 300 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.268 300 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.268 300 G C 1.280 176.273 174.900 0.153 0.000 0.982 300 G CA 1.628 46.901 45.100 0.288 0.000 0.628 300 G HN 1.470 nan 8.290 nan 0.000 0.544 301 T N -0.769 113.858 114.554 0.122 0.000 2.977 301 T HA 0.044 4.394 4.350 -0.000 0.000 0.271 301 T C 1.530 176.265 174.700 0.060 0.000 1.105 301 T CA 1.832 63.977 62.100 0.075 0.000 1.116 301 T CB -0.230 68.671 68.868 0.055 0.000 0.878 301 T HN 0.605 nan 8.240 nan 0.000 0.509 302 D N 0.423 120.874 120.400 0.085 0.000 2.342 302 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 302 D C 0.227 176.606 176.300 0.132 0.000 1.101 302 D CA -0.428 53.630 54.000 0.096 0.000 0.837 302 D CB -0.310 40.530 40.800 0.067 0.000 0.938 302 D HN 0.477 nan 8.370 nan 0.000 0.508 303 I N 0.507 121.106 120.570 0.049 0.000 2.509 303 I HA 0.223 4.393 4.170 -0.000 0.000 0.293 303 I C 0.607 176.658 176.117 -0.111 0.000 1.020 303 I CA -0.891 60.355 61.300 -0.090 0.000 1.088 303 I CB 2.057 39.929 38.000 -0.212 0.000 1.267 303 I HN -0.262 nan 8.210 nan 0.000 0.430 304 N N 3.942 122.523 118.700 -0.198 0.000 2.173 304 N HA -0.014 4.726 4.740 -0.000 0.000 0.184 304 N C -0.529 174.960 175.510 -0.036 0.000 1.025 304 N CA 1.426 54.397 53.050 -0.132 0.000 0.852 304 N CB 0.208 38.559 38.487 -0.226 0.000 0.998 304 N HN 0.646 nan 8.380 nan 0.000 0.427 305 Y N -2.106 118.109 120.300 -0.142 0.000 2.741 305 Y HA 0.620 5.170 4.550 -0.000 0.000 0.339 305 Y C -1.875 173.846 175.900 -0.297 0.000 1.226 305 Y CA -1.507 56.494 58.100 -0.165 0.000 1.072 305 Y CB 0.430 38.834 38.460 -0.094 0.000 1.331 305 Y HN -0.267 nan 8.280 nan 0.000 0.453 306 L N 2.056 123.229 121.223 -0.083 0.000 2.350 306 L HA 0.961 5.301 4.340 -0.000 0.000 0.260 306 L C -0.313 176.412 176.870 -0.242 0.000 1.015 306 L CA -0.161 54.397 54.840 -0.470 0.000 0.821 306 L CB 2.393 43.707 42.059 -1.242 0.000 1.370 306 L HN 1.115 nan 8.230 nan 0.000 0.416 307 S N -0.108 115.351 115.700 -0.402 0.000 2.663 307 S HA 0.592 5.062 4.470 -0.000 0.000 0.264 307 S C -1.815 172.635 174.600 -0.251 0.000 1.112 307 S CA -1.050 57.099 58.200 -0.084 0.000 0.823 307 S CB 1.379 64.570 63.200 -0.014 0.000 1.111 307 S HN 0.541 nan 8.310 nan 0.000 0.476 308 Q N 0.424 120.193 119.800 -0.052 0.000 2.337 308 Q HA 0.653 4.992 4.340 -0.000 0.000 0.270 308 Q C -0.867 175.109 176.000 -0.039 0.000 1.043 308 Q CA -0.709 55.082 55.803 -0.020 0.000 0.794 308 Q CB 2.430 31.207 28.738 0.064 0.000 1.281 308 Q HN 0.746 nan 8.270 nan 0.000 0.446 309 R N -0.656 119.824 120.500 -0.033 0.000 2.771 309 R HA 0.685 5.025 4.340 -0.000 0.000 0.274 309 R C -0.414 175.852 176.300 -0.057 0.000 0.987 309 R CA -0.678 55.388 56.100 -0.057 0.000 0.908 309 R CB 1.368 31.641 30.300 -0.046 0.000 1.213 309 R HN 0.611 nan 8.270 nan 0.000 0.468 310 T N -1.390 113.113 114.554 -0.084 0.000 2.902 310 T HA 0.474 4.824 4.350 -0.000 0.000 0.287 310 T C 1.579 176.263 174.700 -0.027 0.000 1.048 310 T CA -0.246 61.813 62.100 -0.068 0.000 0.941 310 T CB 0.845 69.642 68.868 -0.118 0.000 1.432 310 T HN 0.663 nan 8.240 nan 0.000 0.586 311 A N 1.070 123.887 122.820 -0.006 0.000 1.884 311 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 311 A C 2.030 179.607 177.584 -0.011 0.000 1.197 311 A CA 2.501 54.537 52.037 -0.001 0.000 0.637 311 A CB -2.346 16.660 19.000 0.011 0.000 0.827 311 A HN 1.231 nan 8.150 nan 0.000 0.450 312 N N -2.060 116.631 118.700 -0.015 0.000 2.216 312 N HA 0.313 5.053 4.740 -0.000 0.000 0.258 312 N C 0.971 176.466 175.510 -0.025 0.000 1.262 312 N CA 1.061 54.100 53.050 -0.019 0.000 0.907 312 N CB -0.809 37.666 38.487 -0.020 0.000 0.977 312 N HN 1.159 nan 8.380 nan 0.000 0.436 313 F N -0.044 119.889 119.950 -0.029 0.000 2.730 313 F HA 0.588 5.115 4.527 -0.000 0.000 0.295 313 F C 2.074 177.847 175.800 -0.046 0.000 1.143 313 F CA 0.697 58.677 58.000 -0.034 0.000 1.367 313 F CB -1.360 37.622 39.000 -0.031 0.000 0.970 313 F HN 0.847 nan 8.300 nan 0.000 0.514 314 S N 0.314 115.983 115.700 -0.051 0.000 2.152 314 S HA -0.328 4.142 4.470 -0.000 0.000 0.487 314 S C 0.785 175.344 174.600 -0.069 0.000 0.954 314 S CA 2.299 60.459 58.200 -0.066 0.000 2.950 314 S CB -0.759 62.390 63.200 -0.086 0.000 2.100 314 S HN 0.809 nan 8.310 nan 0.000 0.508 315 D N -0.272 120.084 120.400 -0.072 0.000 2.737 315 D HA -0.103 4.537 4.640 -0.000 0.000 0.243 315 D C 0.950 177.209 176.300 -0.068 0.000 1.109 315 D CA 1.028 54.984 54.000 -0.074 0.000 0.702 315 D CB -1.882 38.862 40.800 -0.093 0.000 1.068 315 D HN 0.777 nan 8.370 nan 0.000 0.432 316 T N -1.740 112.771 114.554 -0.073 0.000 2.897 316 T HA -0.212 4.138 4.350 -0.000 0.000 0.271 316 T C 1.181 175.850 174.700 -0.051 0.000 1.084 316 T CA 1.283 63.339 62.100 -0.073 0.000 1.123 316 T CB 0.028 68.836 68.868 -0.100 0.000 0.865 316 T HN 0.629 nan 8.240 nan 0.000 0.496 317 R N -0.096 120.388 120.500 -0.028 0.000 2.924 317 R HA 0.373 4.713 4.340 -0.000 0.000 0.233 317 R C -0.987 175.359 176.300 0.076 0.000 1.685 317 R CA -0.725 55.378 56.100 0.005 0.000 1.462 317 R CB 0.078 30.363 30.300 -0.024 0.000 1.542 317 R HN 0.131 nan 8.270 nan 0.000 0.667 318 K N 3.487 123.890 120.400 0.004 0.000 2.284 318 K HA 0.355 4.675 4.320 -0.000 0.000 0.287 318 K C -1.006 175.599 176.600 0.009 0.000 1.081 318 K CA -0.286 55.977 56.287 -0.039 0.000 0.910 318 K CB 0.552 32.925 32.500 -0.212 0.000 1.088 318 K HN 0.493 nan 8.250 nan 0.000 0.478 319 L N 3.118 124.431 121.223 0.150 0.000 2.393 319 L HA 0.366 4.706 4.340 -0.000 0.000 0.260 319 L C -0.468 176.528 176.870 0.209 0.000 1.002 319 L CA -1.395 53.558 54.840 0.188 0.000 0.818 319 L CB 2.018 44.255 42.059 0.298 0.000 1.369 319 L HN 0.733 nan 8.230 nan 0.000 0.412 320 D N 0.391 120.891 120.400 0.166 0.000 2.368 320 D HA 0.159 4.799 4.640 -0.000 0.000 0.240 320 D C -2.103 174.307 176.300 0.183 0.000 1.169 320 D CA -1.138 52.955 54.000 0.155 0.000 0.906 320 D CB 0.623 41.495 40.800 0.119 0.000 1.187 320 D HN 0.196 nan 8.370 nan 0.000 0.435 321 P HA -0.224 nan 4.420 nan 0.000 0.214 321 P C 1.021 178.494 177.300 0.288 0.000 1.163 321 P CA 1.587 64.794 63.100 0.178 0.000 0.889 321 P CB 0.086 31.862 31.700 0.126 0.000 0.790 322 K N -1.171 119.357 120.400 0.214 0.000 2.097 322 K HA -0.083 4.236 4.320 -0.000 0.000 0.206 322 K C 1.985 178.705 176.600 0.200 0.000 1.049 322 K CA 1.722 58.127 56.287 0.197 0.000 0.933 322 K CB -0.759 31.823 32.500 0.137 0.000 0.717 322 K HN 0.189 nan 8.250 nan 0.000 0.442 323 T N 0.356 115.027 114.554 0.195 0.000 2.904 323 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 323 T C 1.173 176.000 174.700 0.212 0.000 1.059 323 T CA 0.570 62.768 62.100 0.164 0.000 1.137 323 T CB -0.125 68.820 68.868 0.129 0.000 0.879 323 T HN 0.431 nan 8.240 nan 0.000 0.467 324 W N 2.264 123.631 121.300 0.112 0.000 2.358 324 W HA -0.058 4.602 4.660 -0.000 0.000 0.303 324 W C 2.407 179.041 176.519 0.192 0.000 1.208 324 W CA 1.220 58.651 57.345 0.143 0.000 1.274 324 W CB -0.581 28.973 29.460 0.156 0.000 1.138 324 W HN 0.286 nan 8.180 nan 0.000 0.515 325 A N 0.951 124.061 122.820 0.483 0.000 1.972 325 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 325 A C 2.199 179.901 177.584 0.196 0.000 1.169 325 A CA 2.531 54.787 52.037 0.365 0.000 0.635 325 A CB -1.214 17.974 19.000 0.314 0.000 0.810 325 A HN 0.290 nan 8.150 nan 0.000 0.446 326 A N -0.731 122.177 122.820 0.147 0.000 1.883 326 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 326 A C 2.094 179.706 177.584 0.046 0.000 1.186 326 A CA 1.758 53.845 52.037 0.083 0.000 0.624 326 A CB -0.504 18.538 19.000 0.069 0.000 0.822 326 A HN 0.504 nan 8.150 nan 0.000 0.444 327 Q N -0.440 119.362 119.800 0.003 0.000 2.096 327 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 327 Q C 2.136 178.144 176.000 0.014 0.000 0.982 327 Q CA 2.093 57.864 55.803 -0.053 0.000 0.850 327 Q CB -1.366 27.244 28.738 -0.214 0.000 0.901 327 Q HN 0.648 nan 8.270 nan 0.000 0.422 328 T N 1.119 115.719 114.554 0.077 0.000 2.821 328 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 328 T C 1.835 176.596 174.700 0.103 0.000 1.046 328 T CA 0.782 63.003 62.100 0.202 0.000 1.139 328 T CB -0.047 69.034 68.868 0.356 0.000 0.871 328 T HN 0.263 nan 8.240 nan 0.000 0.454 329 R N 0.697 121.237 120.500 0.067 0.000 2.120 329 R HA 0.020 4.360 4.340 -0.000 0.000 0.234 329 R C 2.518 178.824 176.300 0.010 0.000 1.123 329 R CA 0.808 56.919 56.100 0.020 0.000 0.975 329 R CB -0.076 30.241 30.300 0.028 0.000 0.866 329 R HN 0.220 nan 8.270 nan 0.000 0.446 330 R N 0.149 120.664 120.500 0.025 0.000 2.148 330 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 330 R C 1.967 178.282 176.300 0.026 0.000 1.088 330 R CA 0.970 57.082 56.100 0.019 0.000 0.985 330 R CB -0.148 30.162 30.300 0.018 0.000 0.880 330 R HN 0.070 nan 8.270 nan 0.000 0.451 331 R N 0.696 121.227 120.500 0.052 0.000 2.057 331 R HA 0.108 4.448 4.340 -0.000 0.000 0.224 331 R C 2.047 178.341 176.300 -0.010 0.000 1.136 331 R CA 1.041 57.184 56.100 0.071 0.000 0.968 331 R CB -0.080 30.343 30.300 0.206 0.000 0.863 331 R HN 0.297 nan 8.270 nan 0.000 0.433 332 I N -4.081 116.440 120.570 -0.080 0.000 3.974 332 I HA 0.478 4.648 4.170 -0.000 0.000 0.334 332 I C 0.285 176.313 176.117 -0.148 0.000 1.437 332 I CA 0.256 61.451 61.300 -0.174 0.000 1.113 332 I CB 0.771 38.530 38.000 -0.402 0.000 1.063 332 I HN 0.090 nan 8.210 nan 0.000 0.400 333 A N 0.328 123.094 122.820 -0.089 0.000 2.861 333 A HA -0.228 4.092 4.320 -0.000 0.000 0.261 333 A C 0.650 178.188 177.584 -0.076 0.000 1.351 333 A CA 1.673 53.669 52.037 -0.068 0.000 0.904 333 A CB -2.275 16.688 19.000 -0.062 0.000 1.076 333 A HN 0.805 nan 8.150 nan 0.000 0.729 334 T N -1.946 112.545 114.554 -0.105 0.000 2.661 334 T HA 0.490 4.840 4.350 -0.000 0.000 0.303 334 T C -2.109 172.516 174.700 -0.125 0.000 1.658 334 T CA 0.142 62.184 62.100 -0.098 0.000 0.974 334 T CB 0.866 69.668 68.868 -0.111 0.000 1.857 334 T HN 0.297 nan 8.240 nan 0.000 0.475 335 D N 0.552 120.896 120.400 -0.094 0.000 2.217 335 D HA 0.529 5.169 4.640 -0.000 0.000 0.248 335 D C -0.311 175.900 176.300 -0.148 0.000 1.008 335 D CA -0.124 53.840 54.000 -0.060 0.000 0.914 335 D CB 0.763 41.577 40.800 0.023 0.000 1.182 335 D HN 0.297 nan 8.370 nan 0.000 0.451 336 F N 0.619 120.498 119.950 -0.119 0.000 2.403 336 F HA 0.231 4.758 4.527 -0.000 0.000 0.320 336 F C -1.365 174.327 175.800 -0.179 0.000 1.176 336 F CA -1.339 56.510 58.000 -0.252 0.000 1.206 336 F CB -0.117 38.620 39.000 -0.439 0.000 1.235 336 F HN 0.069 nan 8.300 nan 0.000 0.565 337 P HA -0.002 nan 4.420 nan 0.000 0.271 337 P C -1.091 176.247 177.300 0.064 0.000 1.238 337 P CA -0.305 62.861 63.100 0.111 0.000 0.794 337 P CB 0.322 32.184 31.700 0.270 0.000 0.959 338 K N 1.016 121.463 120.400 0.078 0.000 2.504 338 K HA 0.125 4.445 4.320 -0.000 0.000 0.278 338 K C 1.273 177.952 176.600 0.131 0.000 1.025 338 K CA 1.292 57.629 56.287 0.083 0.000 1.093 338 K CB -0.756 31.810 32.500 0.109 0.000 0.873 338 K HN 0.863 nan 8.250 nan 0.000 0.483 339 G N 1.219 110.060 108.800 0.069 0.000 2.179 339 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 339 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 339 G C 0.027 174.927 174.900 -0.000 0.000 0.977 339 G CA 0.044 45.264 45.100 0.200 0.000 0.641 339 G HN 0.431 nan 8.290 nan 0.000 0.533 340 V N 1.038 120.765 119.914 -0.312 0.000 2.370 340 V HA 0.657 4.777 4.120 -0.000 0.000 0.279 340 V C -0.314 175.397 176.094 -0.639 0.000 1.029 340 V CA -0.768 61.331 62.300 -0.335 0.000 0.870 340 V CB 0.889 32.498 31.823 -0.357 0.000 0.984 340 V HN 0.245 nan 8.190 nan 0.000 0.451 341 Y N 4.187 124.528 120.300 0.069 0.000 2.409 341 Y HA 0.604 5.154 4.550 -0.000 0.000 0.343 341 Y C -0.492 175.584 175.900 0.292 0.000 0.973 341 Y CA -0.822 57.419 58.100 0.236 0.000 1.064 341 Y CB 1.729 40.266 38.460 0.127 0.000 1.207 341 Y HN 0.631 nan 8.280 nan 0.000 0.452 342 Y N 2.303 122.882 120.300 0.464 0.000 2.468 342 Y HA 0.674 5.224 4.550 -0.000 0.000 0.342 342 Y C -1.104 175.096 175.900 0.500 0.000 1.021 342 Y CA -1.908 56.369 58.100 0.294 0.000 1.079 342 Y CB 1.729 40.278 38.460 0.148 0.000 1.226 342 Y HN 0.788 nan 8.280 nan 0.000 0.460 343 C N 6.808 125.875 119.300 -0.388 0.000 2.505 343 C HA 0.339 4.799 4.460 -0.000 0.000 0.342 343 C C -1.299 173.319 174.990 -0.620 0.000 1.121 343 C CA -0.747 58.099 59.018 -0.287 0.000 1.306 343 C CB -0.207 27.779 27.740 0.410 0.000 1.897 343 C HN 0.895 nan 8.230 nan 0.000 0.446 344 D N 3.846 123.915 120.400 -0.551 0.000 2.249 344 D HA 0.287 4.927 4.640 -0.000 0.000 0.246 344 D C 0.106 176.368 176.300 -0.063 0.000 1.114 344 D CA 0.331 54.180 54.000 -0.252 0.000 0.854 344 D CB 0.834 41.609 40.800 -0.041 0.000 1.132 344 D HN 0.735 nan 8.370 nan 0.000 0.461 345 N N 3.243 121.959 118.700 0.026 0.000 2.387 345 N HA 0.080 4.820 4.740 -0.000 0.000 0.259 345 N C 1.095 176.651 175.510 0.076 0.000 1.369 345 N CA -0.153 52.932 53.050 0.058 0.000 0.867 345 N CB 0.703 39.246 38.487 0.092 0.000 1.341 345 N HN 0.357 nan 8.380 nan 0.000 0.495 346 R N 0.522 121.071 120.500 0.083 0.000 2.091 346 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 346 R C 0.705 177.032 176.300 0.044 0.000 1.136 346 R CA 1.308 57.452 56.100 0.074 0.000 0.959 346 R CB 0.080 30.460 30.300 0.134 0.000 0.856 346 R HN 0.077 nan 8.270 nan 0.000 0.437 347 D N 0.144 120.575 120.400 0.051 0.000 2.234 347 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 347 D C 0.155 176.481 176.300 0.044 0.000 0.962 347 D CA 1.234 55.258 54.000 0.040 0.000 0.855 347 D CB 0.263 41.086 40.800 0.038 0.000 0.951 347 D HN 0.085 nan 8.370 nan 0.000 0.500 348 K N 0.696 121.131 120.400 0.059 0.000 2.827 348 K HA 0.286 4.606 4.320 -0.000 0.000 0.186 348 K C -2.748 173.922 176.600 0.117 0.000 1.093 348 K CA -1.435 54.904 56.287 0.086 0.000 0.993 348 K CB 2.433 34.990 32.500 0.095 0.000 1.199 348 K HN -0.104 nan 8.250 nan 0.000 0.598 349 P HA -0.035 nan 4.420 nan 0.000 0.265 349 P C -0.116 177.320 177.300 0.226 0.000 1.187 349 P CA -0.171 63.015 63.100 0.143 0.000 0.766 349 P CB 0.465 32.223 31.700 0.098 0.000 0.820 350 I N 3.577 124.290 120.570 0.238 0.000 2.587 350 I HA -0.012 4.158 4.170 -0.000 0.000 0.284 350 I C -0.037 176.321 176.117 0.402 0.000 1.134 350 I CA 0.333 61.776 61.300 0.238 0.000 1.410 350 I CB -1.153 36.712 38.000 -0.224 0.000 1.392 350 I HN 0.409 nan 8.210 nan 0.000 0.545 351 Y N 5.914 126.296 120.300 0.137 0.000 2.400 351 Y HA 0.130 4.680 4.550 -0.000 0.000 0.335 351 Y C 1.330 177.155 175.900 -0.125 0.000 1.066 351 Y CA -1.136 56.969 58.100 0.007 0.000 1.285 351 Y CB 1.200 39.608 38.460 -0.087 0.000 1.103 351 Y HN 0.724 nan 8.280 nan 0.000 0.490 352 T N 1.365 115.864 114.554 -0.092 0.000 2.996 352 T HA -0.132 4.218 4.350 -0.000 0.000 0.271 352 T C 1.350 175.884 174.700 -0.277 0.000 1.126 352 T CA 1.175 63.221 62.100 -0.089 0.000 1.103 352 T CB -0.036 68.819 68.868 -0.021 0.000 0.870 352 T HN 0.466 nan 8.240 nan 0.000 0.528 353 L N 0.353 121.209 121.223 -0.611 0.000 2.554 353 L HA 0.217 4.557 4.340 -0.000 0.000 0.226 353 L C 2.999 179.641 176.870 -0.380 0.000 1.137 353 L CA 1.417 55.947 54.840 -0.516 0.000 0.863 353 L CB -1.827 39.810 42.059 -0.703 0.000 0.985 353 L HN 0.649 nan 8.230 nan 0.000 0.451 354 Q N 0.017 119.527 119.800 -0.482 0.000 2.391 354 Q HA -0.007 4.333 4.340 -0.000 0.000 0.211 354 Q C 0.211 175.961 176.000 -0.417 0.000 0.908 354 Q CA 0.659 56.187 55.803 -0.458 0.000 0.920 354 Q CB -0.066 28.304 28.738 -0.612 0.000 1.056 354 Q HN 0.641 nan 8.270 nan 0.000 0.523 355 Y N -3.393 116.892 120.300 -0.024 0.000 2.803 355 Y HA 0.528 5.078 4.550 -0.000 0.000 0.265 355 Y C 0.537 176.416 175.900 -0.035 0.000 0.992 355 Y CA -1.744 56.343 58.100 -0.021 0.000 1.174 355 Y CB -0.749 37.707 38.460 -0.007 0.000 1.154 355 Y HN 0.498 nan 8.280 nan 0.000 0.582 356 G N 1.821 110.684 108.800 0.105 0.000 2.668 356 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.266 356 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.266 356 G C -0.280 174.670 174.900 0.083 0.000 1.328 356 G CA 0.189 45.325 45.100 0.059 0.000 0.911 356 G HN 0.886 nan 8.290 nan 0.000 0.567 357 N N -1.408 117.320 118.700 0.045 0.000 2.518 357 N HA 0.442 5.182 4.740 -0.000 0.000 0.266 357 N C -0.014 175.540 175.510 0.073 0.000 1.196 357 N CA 0.229 53.309 53.050 0.051 0.000 0.947 357 N CB 0.969 39.469 38.487 0.022 0.000 1.098 357 N HN 0.668 nan 8.380 nan 0.000 0.450 358 V N 0.724 120.700 119.914 0.103 0.000 2.864 358 V HA 0.852 4.972 4.120 -0.000 0.000 0.314 358 V C 0.591 176.833 176.094 0.248 0.000 1.073 358 V CA -0.730 61.626 62.300 0.095 0.000 0.956 358 V CB 1.719 33.537 31.823 -0.007 0.000 1.023 358 V HN 0.803 nan 8.190 nan 0.000 0.435 359 G N 1.021 109.959 108.800 0.231 0.000 2.612 359 G HA2 0.650 4.610 3.960 -0.000 0.000 0.298 359 G HA3 0.650 4.610 3.960 -0.000 0.000 0.298 359 G C -1.951 173.138 174.900 0.315 0.000 1.336 359 G CA -0.586 44.669 45.100 0.259 0.000 0.953 359 G HN 0.465 nan 8.290 nan 0.000 0.482 360 F N 1.919 121.940 119.950 0.117 0.000 2.410 360 F HA 0.639 5.166 4.527 -0.000 0.000 0.349 360 F C -0.169 175.626 175.800 -0.008 0.000 1.117 360 F CA -0.434 57.634 58.000 0.114 0.000 1.104 360 F CB 1.636 40.655 39.000 0.032 0.000 1.122 360 F HN 0.272 nan 8.300 nan 0.000 0.483 361 V N 6.406 126.078 119.914 -0.403 0.000 2.555 361 V HA 0.615 4.735 4.120 -0.000 0.000 0.302 361 V C -0.874 175.029 176.094 -0.318 0.000 1.038 361 V CA -0.856 61.306 62.300 -0.230 0.000 0.887 361 V CB 1.731 33.481 31.823 -0.122 0.000 0.991 361 V HN 0.551 nan 8.190 nan 0.000 0.434 362 V N 3.766 123.577 119.914 -0.171 0.000 2.524 362 V HA 0.433 4.553 4.120 -0.000 0.000 0.297 362 V C -0.419 175.477 176.094 -0.331 0.000 1.035 362 V CA -0.657 61.462 62.300 -0.301 0.000 0.867 362 V CB 1.970 33.621 31.823 -0.286 0.000 1.004 362 V HN 0.889 nan 8.190 nan 0.000 0.426 363 N N 6.842 125.206 118.700 -0.560 0.000 2.609 363 N HA 0.345 5.085 4.740 -0.000 0.000 0.234 363 N C -2.685 172.532 175.510 -0.489 0.000 1.001 363 N CA -1.610 51.090 53.050 -0.583 0.000 0.926 363 N CB 2.381 40.223 38.487 -1.075 0.000 1.130 363 N HN 0.344 nan 8.380 nan 0.000 0.510 364 P HA 0.092 nan 4.420 nan 0.000 0.271 364 P C 0.221 177.441 177.300 -0.132 0.000 1.216 364 P CA -0.093 62.862 63.100 -0.241 0.000 0.776 364 P CB 1.853 33.423 31.700 -0.218 0.000 0.881 365 K N 1.856 122.221 120.400 -0.059 0.000 2.166 365 K HA 0.042 4.362 4.320 -0.000 0.000 0.201 365 K C 0.395 176.990 176.600 -0.009 0.000 1.052 365 K CA 0.924 57.189 56.287 -0.037 0.000 0.969 365 K CB 0.229 32.718 32.500 -0.017 0.000 0.761 365 K HN 0.646 nan 8.250 nan 0.000 0.459 366 T N -1.623 112.946 114.554 0.026 0.000 2.971 366 T HA 0.487 4.837 4.350 -0.000 0.000 0.304 366 T C -0.931 173.794 174.700 0.043 0.000 1.038 366 T CA -0.941 61.166 62.100 0.012 0.000 1.007 366 T CB 1.976 70.837 68.868 -0.012 0.000 1.055 366 T HN -0.186 nan 8.240 nan 0.000 0.451 367 V N 4.136 124.056 119.914 0.011 0.000 2.376 367 V HA 0.457 4.577 4.120 -0.000 0.000 0.287 367 V C -0.213 175.854 176.094 -0.046 0.000 1.015 367 V CA -1.006 61.303 62.300 0.015 0.000 0.834 367 V CB 1.223 33.050 31.823 0.006 0.000 1.001 367 V HN 0.891 nan 8.190 nan 0.000 0.428 368 N N 2.390 121.031 118.700 -0.097 0.000 2.364 368 N HA 0.203 4.943 4.740 -0.000 0.000 0.264 368 N C 0.031 175.488 175.510 -0.088 0.000 1.263 368 N CA -0.450 52.536 53.050 -0.106 0.000 0.959 368 N CB 0.617 39.010 38.487 -0.157 0.000 1.204 368 N HN 0.750 nan 8.380 nan 0.000 0.550 369 Q N 0.685 120.438 119.800 -0.077 0.000 2.313 369 Q HA 0.034 4.374 4.340 -0.000 0.000 0.266 369 Q C -0.607 175.351 176.000 -0.070 0.000 0.989 369 Q CA 0.037 55.804 55.803 -0.060 0.000 0.890 369 Q CB 0.149 28.859 28.738 -0.046 0.000 1.200 369 Q HN 0.434 nan 8.270 nan 0.000 0.396 370 N N 0.560 119.226 118.700 -0.056 0.000 2.869 370 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 370 N C -1.128 174.338 175.510 -0.073 0.000 1.104 370 N CA 0.902 53.921 53.050 -0.053 0.000 0.760 370 N CB -1.682 36.776 38.487 -0.048 0.000 1.108 370 N HN 0.641 nan 8.380 nan 0.000 0.555 371 A N 0.872 123.645 122.820 -0.078 0.000 2.445 371 A HA 0.615 4.935 4.320 -0.000 0.000 0.242 371 A C 0.905 178.464 177.584 -0.041 0.000 1.075 371 A CA 0.461 52.457 52.037 -0.067 0.000 0.777 371 A CB 0.505 19.502 19.000 -0.006 0.000 1.013 371 A HN 0.473 nan 8.150 nan 0.000 0.493 372 R N 0.536 121.042 120.500 0.011 0.000 2.728 372 R HA 0.597 4.937 4.340 -0.000 0.000 0.274 372 R C -2.151 174.191 176.300 0.070 0.000 1.032 372 R CA -0.950 55.143 56.100 -0.011 0.000 0.866 372 R CB 0.826 31.137 30.300 0.019 0.000 1.263 372 R HN 0.447 nan 8.270 nan 0.000 0.475 373 L N 2.871 124.118 121.223 0.040 0.000 2.305 373 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 373 L C -0.305 176.641 176.870 0.126 0.000 1.013 373 L CA -0.905 53.992 54.840 0.095 0.000 0.819 373 L CB 1.510 43.625 42.059 0.092 0.000 1.227 373 L HN 0.454 nan 8.230 nan 0.000 0.417 377 Y N 0.347 120.692 120.300 0.075 0.000 2.524 377 Y HA 0.734 5.284 4.550 -0.000 0.000 0.344 377 Y C 0.310 176.451 175.900 0.403 0.000 1.012 377 Y CA -1.003 57.321 58.100 0.374 0.000 1.068 377 Y CB 2.707 41.490 38.460 0.537 0.000 1.249 377 Y HN 0.561 nan 8.280 nan 0.000 0.468 378 E N 2.674 123.200 120.200 0.543 0.000 2.218 378 E HA 0.466 4.816 4.350 -0.000 0.000 0.263 378 E C -1.911 174.837 176.600 0.246 0.000 0.879 378 E CA -0.639 55.909 56.400 0.247 0.000 0.762 378 E CB 1.307 31.179 29.700 0.286 0.000 1.166 378 E HN 0.586 nan 8.360 nan 0.000 0.415 379 Y N 1.834 122.124 120.300 -0.016 0.000 2.689 379 Y HA 0.648 5.198 4.550 -0.000 0.000 0.333 379 Y C -1.990 173.862 175.900 -0.081 0.000 1.208 379 Y CA -1.437 56.566 58.100 -0.162 0.000 1.055 379 Y CB 0.748 38.971 38.460 -0.395 0.000 1.304 379 Y HN 0.219 nan 8.280 nan 0.000 0.455 380 F N 0.551 120.631 119.950 0.216 0.000 2.507 380 F HA 0.828 5.355 4.527 -0.000 0.000 0.327 380 F C 0.232 176.113 175.800 0.136 0.000 1.068 380 F CA -0.847 57.223 58.000 0.118 0.000 0.965 380 F CB 2.143 41.155 39.000 0.020 0.000 1.192 380 F HN 0.771 nan 8.300 nan 0.000 0.476 381 T N 0.435 115.154 114.554 0.275 0.000 2.893 381 T HA 0.384 4.734 4.350 -0.000 0.000 0.337 381 T C -1.265 173.492 174.700 0.095 0.000 1.587 381 T CA -0.538 61.668 62.100 0.178 0.000 1.066 381 T CB 1.002 69.945 68.868 0.125 0.000 1.414 381 T HN 0.479 nan 8.240 nan 0.000 0.488 382 S N 2.146 117.898 115.700 0.086 0.000 2.565 382 S HA 0.308 4.777 4.470 -0.000 0.000 0.274 382 S C 1.469 176.090 174.600 0.035 0.000 1.309 382 S CA -0.712 57.512 58.200 0.040 0.000 1.043 382 S CB 1.114 64.337 63.200 0.038 0.000 0.939 382 S HN 0.640 nan 8.310 nan 0.000 0.504 383 R N 0.808 121.314 120.500 0.010 0.000 2.200 383 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 383 R C 0.580 176.895 176.300 0.024 0.000 1.127 383 R CA 0.981 57.084 56.100 0.005 0.000 0.989 383 R CB 0.026 30.331 30.300 0.008 0.000 0.869 383 R HN 0.553 nan 8.270 nan 0.000 0.459 384 T N -0.107 114.464 114.554 0.029 0.000 3.187 384 T HA 0.392 4.742 4.350 -0.000 0.000 0.328 384 T C -0.884 173.837 174.700 0.036 0.000 0.951 384 T CA -0.275 61.843 62.100 0.031 0.000 1.049 384 T CB 1.130 70.012 68.868 0.023 0.000 1.015 384 T HN 0.267 nan 8.240 nan 0.000 0.461 385 E N 0.000 120.228 120.200 0.047 0.000 2.725 385 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 385 E CA 0.000 56.432 56.400 0.053 0.000 0.976 385 E CB 0.000 29.750 29.700 0.083 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440