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 2fzg_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.014 0.000 1.274 1 A CA 0.000 51.969 52.037 -0.113 0.000 0.836 1 A CB 0.000 18.915 19.000 -0.142 0.000 0.831 2 N N 2.468 121.170 118.700 0.003 0.000 2.344 2 N HA 0.321 5.061 4.740 -0.000 0.000 0.236 2 N C -1.758 173.803 175.510 0.086 0.000 1.279 2 N CA -0.361 52.718 53.050 0.047 0.000 0.882 2 N CB 0.333 38.852 38.487 0.054 0.000 1.110 2 N HN 0.202 nan 8.380 nan 0.000 0.436 3 P HA -0.090 nan 4.420 nan 0.000 0.221 3 P C 0.607 177.946 177.300 0.065 0.000 1.145 3 P CA 1.125 64.261 63.100 0.060 0.000 0.795 3 P CB 0.172 31.898 31.700 0.043 0.000 0.775 4 L N -3.430 117.840 121.223 0.079 0.000 2.607 4 L HA 0.131 4.471 4.340 -0.000 0.000 0.228 4 L C 0.781 177.692 176.870 0.068 0.000 1.123 4 L CA -0.574 54.303 54.840 0.061 0.000 0.890 4 L CB -0.416 41.678 42.059 0.059 0.000 1.103 4 L HN -0.010 nan 8.230 nan 0.000 0.468 5 Y N 2.394 122.687 120.300 -0.012 0.000 2.721 5 Y HA -0.137 4.413 4.550 -0.000 0.000 0.329 5 Y C 0.973 176.848 175.900 -0.041 0.000 1.211 5 Y CA 0.114 58.203 58.100 -0.018 0.000 1.512 5 Y CB 0.343 38.797 38.460 -0.011 0.000 1.249 5 Y HN 0.200 nan 8.280 nan 0.000 0.549 6 Q N 1.738 121.124 119.800 -0.690 0.000 2.393 6 Q HA -0.298 4.042 4.340 -0.000 0.000 0.235 6 Q C -0.530 175.216 176.000 -0.424 0.000 0.823 6 Q CA 1.348 56.770 55.803 -0.635 0.000 1.284 6 Q CB -1.226 26.991 28.738 -0.868 0.000 1.669 6 Q HN 0.745 nan 8.270 nan 0.000 0.597 7 K N 0.598 120.825 120.400 -0.288 0.000 2.144 7 K HA 0.266 4.586 4.320 -0.000 0.000 0.270 7 K C 0.038 176.479 176.600 -0.265 0.000 1.005 7 K CA -0.425 55.706 56.287 -0.260 0.000 0.932 7 K CB 0.628 33.067 32.500 -0.102 0.000 1.021 7 K HN 0.072 nan 8.250 nan 0.000 0.462 8 H N 2.429 121.480 119.070 -0.033 0.000 2.551 8 H HA 0.177 4.733 4.556 -0.000 0.000 0.358 8 H C -0.146 175.184 175.328 0.003 0.000 1.151 8 H CA -0.065 55.971 56.048 -0.020 0.000 1.374 8 H CB 0.754 30.500 29.762 -0.027 0.000 1.473 8 H HN 0.279 nan 8.280 nan 0.000 0.574 9 I N 4.525 125.181 120.570 0.143 0.000 2.557 9 I HA 0.010 4.180 4.170 -0.000 0.000 0.277 9 I C 0.769 176.947 176.117 0.103 0.000 1.106 9 I CA -0.130 61.236 61.300 0.110 0.000 1.180 9 I CB 0.171 38.241 38.000 0.116 0.000 1.392 9 I HN 0.449 nan 8.210 nan 0.000 0.506 10 I N 1.187 121.808 120.570 0.086 0.000 2.947 10 I HA 0.131 4.301 4.170 -0.000 0.000 0.263 10 I C 1.063 177.216 176.117 0.059 0.000 1.130 10 I CA 0.775 62.107 61.300 0.054 0.000 1.448 10 I CB -0.074 37.938 38.000 0.021 0.000 1.222 10 I HN 0.383 nan 8.210 nan 0.000 0.453 11 S N -0.156 115.580 115.700 0.061 0.000 2.541 11 S HA 0.419 4.889 4.470 -0.000 0.000 0.280 11 S C 0.444 175.085 174.600 0.067 0.000 1.112 11 S CA -0.543 57.694 58.200 0.062 0.000 0.925 11 S CB 1.667 64.891 63.200 0.040 0.000 1.067 11 S HN 0.070 nan 8.310 nan 0.000 0.479 12 I N 4.913 125.529 120.570 0.076 0.000 2.454 12 I HA -0.092 4.078 4.170 -0.000 0.000 0.254 12 I C 1.637 177.789 176.117 0.059 0.000 1.156 12 I CA 1.729 63.074 61.300 0.076 0.000 1.433 12 I CB -0.487 37.562 38.000 0.083 0.000 1.082 12 I HN 0.802 nan 8.210 nan 0.000 0.432 13 N N 0.126 118.855 118.700 0.049 0.000 2.289 13 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 13 N C 0.791 176.317 175.510 0.026 0.000 1.016 13 N CA 1.078 54.148 53.050 0.033 0.000 0.872 13 N CB -0.065 38.437 38.487 0.026 0.000 0.973 13 N HN 0.372 nan 8.380 nan 0.000 0.433 14 D N 0.360 120.779 120.400 0.032 0.000 2.349 14 D HA 0.090 4.730 4.640 -0.000 0.000 0.215 14 D C 0.092 176.410 176.300 0.030 0.000 1.016 14 D CA 0.385 54.402 54.000 0.028 0.000 0.870 14 D CB 0.368 41.188 40.800 0.033 0.000 0.917 14 D HN 0.216 nan 8.370 nan 0.000 0.524 15 L N 1.267 122.513 121.223 0.038 0.000 2.289 15 L HA 0.226 4.566 4.340 -0.000 0.000 0.285 15 L C 0.877 177.762 176.870 0.024 0.000 1.049 15 L CA -0.591 54.273 54.840 0.040 0.000 0.804 15 L CB 1.606 43.702 42.059 0.061 0.000 1.195 15 L HN -0.127 nan 8.230 nan 0.000 0.428 16 S N 2.789 118.496 115.700 0.012 0.000 2.655 16 S HA 0.271 4.741 4.470 -0.000 0.000 0.265 16 S C 1.025 175.604 174.600 -0.035 0.000 1.240 16 S CA -0.609 57.580 58.200 -0.018 0.000 0.986 16 S CB 1.367 64.556 63.200 -0.018 0.000 0.985 16 S HN 0.730 nan 8.310 nan 0.000 0.562 17 R N 0.221 120.652 120.500 -0.115 0.000 2.096 17 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 17 R C 0.988 177.248 176.300 -0.066 0.000 1.127 17 R CA 1.877 57.842 56.100 -0.225 0.000 0.968 17 R CB -0.603 29.447 30.300 -0.417 0.000 0.861 17 R HN 0.744 nan 8.270 nan 0.000 0.440 18 D N 0.654 121.033 120.400 -0.034 0.000 2.117 18 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 18 D C 1.408 177.736 176.300 0.047 0.000 0.982 18 D CA 1.071 55.081 54.000 0.017 0.000 0.828 18 D CB -0.296 40.509 40.800 0.009 0.000 0.967 18 D HN 0.261 nan 8.370 nan 0.000 0.464 19 D N 0.659 121.084 120.400 0.040 0.000 2.104 19 D HA -0.107 4.533 4.640 -0.000 0.000 0.194 19 D C 2.438 178.789 176.300 0.086 0.000 0.994 19 D CA 0.399 54.433 54.000 0.056 0.000 0.830 19 D CB -0.324 40.504 40.800 0.048 0.000 0.959 19 D HN 0.232 nan 8.370 nan 0.000 0.452 20 L N 0.603 121.891 121.223 0.109 0.000 2.012 20 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 20 L C 2.039 179.023 176.870 0.190 0.000 1.073 20 L CA 1.330 56.273 54.840 0.173 0.000 0.748 20 L CB -0.533 41.685 42.059 0.266 0.000 0.891 20 L HN 0.044 nan 8.230 nan 0.000 0.431 21 N N -0.408 118.408 118.700 0.195 0.000 2.188 21 N HA -0.198 4.542 4.740 -0.000 0.000 0.184 21 N C 1.714 177.301 175.510 0.128 0.000 1.018 21 N CA 0.705 53.863 53.050 0.181 0.000 0.858 21 N CB -0.092 38.499 38.487 0.173 0.000 0.989 21 N HN 0.130 nan 8.380 nan 0.000 0.426 22 L N 1.011 122.294 121.223 0.100 0.000 1.989 22 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 22 L C 1.886 178.800 176.870 0.073 0.000 1.071 22 L CA 1.521 56.407 54.840 0.077 0.000 0.749 22 L CB -0.717 41.381 42.059 0.064 0.000 0.890 22 L HN -0.025 nan 8.230 nan 0.000 0.431 23 V N -0.040 119.920 119.914 0.077 0.000 2.287 23 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 23 V C 2.633 178.752 176.094 0.042 0.000 1.053 23 V CA 2.088 64.421 62.300 0.055 0.000 1.027 23 V CB -0.635 31.225 31.823 0.063 0.000 0.646 23 V HN 0.466 nan 8.190 nan 0.000 0.447 24 L N -0.124 121.162 121.223 0.105 0.000 2.093 24 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 24 L C 2.740 179.711 176.870 0.167 0.000 1.085 24 L CA 1.581 56.526 54.840 0.175 0.000 0.755 24 L CB -1.028 41.201 42.059 0.283 0.000 0.904 24 L HN 0.388 nan 8.230 nan 0.000 0.435 25 A N 0.127 123.022 122.820 0.125 0.000 1.898 25 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 25 A C 2.363 179.989 177.584 0.069 0.000 1.181 25 A CA 2.176 54.275 52.037 0.104 0.000 0.620 25 A CB -0.779 18.271 19.000 0.084 0.000 0.819 25 A HN 0.383 nan 8.150 nan 0.000 0.442 26 T N 0.318 114.897 114.554 0.042 0.000 2.821 26 T HA 0.043 4.393 4.350 -0.000 0.000 0.267 26 T C 2.189 176.880 174.700 -0.015 0.000 1.046 26 T CA 1.342 63.453 62.100 0.019 0.000 1.139 26 T CB -0.389 68.490 68.868 0.018 0.000 0.871 26 T HN 0.570 nan 8.240 nan 0.000 0.454 27 A N 1.471 124.239 122.820 -0.087 0.000 1.933 27 A HA 0.199 4.518 4.320 -0.000 0.000 0.218 27 A C 2.625 180.119 177.584 -0.149 0.000 1.175 27 A CA 1.697 53.587 52.037 -0.246 0.000 0.628 27 A CB -1.003 17.550 19.000 -0.745 0.000 0.814 27 A HN 0.505 nan 8.150 nan 0.000 0.444 28 A N -0.384 122.474 122.820 0.064 0.000 1.898 28 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 28 A C 2.092 179.699 177.584 0.040 0.000 1.181 28 A CA 1.928 54.075 52.037 0.184 0.000 0.620 28 A CB -0.387 18.757 19.000 0.241 0.000 0.819 28 A HN 0.477 nan 8.150 nan 0.000 0.442 29 K N -0.321 120.098 120.400 0.031 0.000 2.009 29 K HA -0.042 4.278 4.320 -0.000 0.000 0.210 29 K C 1.811 178.411 176.600 0.000 0.000 1.049 29 K CA 1.590 57.886 56.287 0.015 0.000 0.929 29 K CB -0.384 32.129 32.500 0.021 0.000 0.714 29 K HN 0.469 nan 8.250 nan 0.000 0.440 30 L N 0.692 121.920 121.223 0.008 0.000 2.141 30 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 30 L C 2.464 179.344 176.870 0.016 0.000 1.094 30 L CA 1.144 56.007 54.840 0.039 0.000 0.763 30 L CB -0.327 41.782 42.059 0.083 0.000 0.908 30 L HN 0.189 nan 8.230 nan 0.000 0.437 31 K N 0.483 120.804 120.400 -0.131 0.000 2.097 31 K HA -0.173 4.146 4.320 -0.000 0.000 0.206 31 K C 2.043 178.492 176.600 -0.252 0.000 1.049 31 K CA 1.398 57.378 56.287 -0.512 0.000 0.933 31 K CB -0.015 31.941 32.500 -0.907 0.000 0.717 31 K HN 0.280 nan 8.250 nan 0.000 0.442 32 A N 0.362 123.107 122.820 -0.125 0.000 1.975 32 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 32 A C 0.871 178.440 177.584 -0.024 0.000 1.170 32 A CA 0.649 52.648 52.037 -0.064 0.000 0.656 32 A CB 0.098 19.076 19.000 -0.037 0.000 0.821 32 A HN 0.289 nan 8.150 nan 0.000 0.449 33 N N 0.666 119.361 118.700 -0.009 0.000 2.791 33 N HA 0.260 5.000 4.740 -0.000 0.000 0.265 33 N C -3.150 172.377 175.510 0.027 0.000 1.580 33 N CA -1.126 51.930 53.050 0.010 0.000 0.809 33 N CB 1.050 39.542 38.487 0.009 0.000 1.178 33 N HN 0.043 nan 8.380 nan 0.000 0.499 34 P HA -0.027 nan 4.420 nan 0.000 0.263 34 P C -0.647 176.680 177.300 0.045 0.000 1.175 34 P CA 0.549 63.687 63.100 0.063 0.000 0.761 34 P CB 0.565 32.309 31.700 0.074 0.000 0.794 35 Q N 4.083 123.911 119.800 0.047 0.000 2.907 35 Q HA 0.162 4.502 4.340 -0.000 0.000 0.262 35 Q C -1.562 174.457 176.000 0.032 0.000 0.997 35 Q CA -1.453 54.369 55.803 0.032 0.000 0.797 35 Q CB 1.135 29.888 28.738 0.026 0.000 1.228 35 Q HN 0.418 nan 8.270 nan 0.000 0.466 36 P HA -0.158 nan 4.420 nan 0.000 0.229 36 P C 0.082 177.394 177.300 0.019 0.000 1.150 36 P CA 1.151 64.271 63.100 0.033 0.000 0.765 36 P CB 0.542 32.263 31.700 0.034 0.000 0.783 37 E N -1.335 118.867 120.200 0.002 0.000 2.630 37 E HA 0.089 4.438 4.350 -0.000 0.000 0.218 37 E C 1.542 178.122 176.600 -0.033 0.000 0.977 37 E CA -0.368 56.017 56.400 -0.025 0.000 1.038 37 E CB -0.264 29.412 29.700 -0.040 0.000 1.051 37 E HN 0.130 nan 8.360 nan 0.000 0.487 38 L N 0.579 121.798 121.223 -0.008 0.000 2.043 38 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 38 L C 1.546 178.414 176.870 -0.003 0.000 1.075 38 L CA 1.837 56.675 54.840 -0.003 0.000 0.752 38 L CB -0.126 41.942 42.059 0.015 0.000 0.891 38 L HN 0.099 nan 8.230 nan 0.000 0.432 39 L N -0.337 120.888 121.223 0.003 0.000 2.910 39 L HA 0.153 4.492 4.340 -0.000 0.000 0.252 39 L C 0.654 177.528 176.870 0.006 0.000 1.195 39 L CA -0.307 54.542 54.840 0.015 0.000 1.003 39 L CB -0.344 41.732 42.059 0.028 0.000 1.328 39 L HN 0.149 nan 8.230 nan 0.000 0.540 40 K N 1.056 121.428 120.400 -0.048 0.000 2.524 40 K HA -0.099 4.221 4.320 -0.000 0.000 0.279 40 K C 0.204 176.767 176.600 -0.062 0.000 0.993 40 K CA 0.733 56.958 56.287 -0.105 0.000 1.030 40 K CB 0.150 32.501 32.500 -0.248 0.000 0.891 40 K HN 0.384 nan 8.250 nan 0.000 0.488 41 H N -0.449 118.641 119.070 0.033 0.000 3.863 41 H HA -0.130 4.426 4.556 -0.000 0.000 0.160 41 H C -0.405 174.942 175.328 0.031 0.000 0.870 41 H CA 0.774 56.840 56.048 0.031 0.000 1.247 41 H CB -0.552 29.228 29.762 0.029 0.000 0.921 41 H HN 0.489 nan 8.280 nan 0.000 0.421 42 K N 1.874 122.358 120.400 0.141 0.000 2.143 42 K HA 0.511 4.831 4.320 -0.000 0.000 0.272 42 K C -0.048 176.592 176.600 0.067 0.000 1.001 42 K CA -0.406 55.935 56.287 0.091 0.000 0.915 42 K CB 2.149 34.689 32.500 0.067 0.000 1.047 42 K HN -0.028 nan 8.250 nan 0.000 0.458 43 V N 4.885 124.833 119.914 0.058 0.000 2.448 43 V HA 0.433 4.553 4.120 -0.000 0.000 0.295 43 V C 0.019 176.134 176.094 0.036 0.000 1.025 43 V CA -0.838 61.489 62.300 0.045 0.000 0.859 43 V CB 1.478 33.333 31.823 0.053 0.000 0.988 43 V HN 0.513 nan 8.190 nan 0.000 0.431 44 I N 3.474 124.050 120.570 0.011 0.000 2.530 44 I HA 0.691 4.861 4.170 -0.000 0.000 0.297 44 I C 0.326 176.434 176.117 -0.014 0.000 1.011 44 I CA -0.652 60.645 61.300 -0.004 0.000 1.107 44 I CB 1.957 39.941 38.000 -0.026 0.000 1.285 44 I HN 0.640 nan 8.210 nan 0.000 0.436 45 A N 3.599 126.405 122.820 -0.023 0.000 2.290 45 A HA 0.458 4.778 4.320 -0.000 0.000 0.310 45 A C 0.104 177.616 177.584 -0.121 0.000 1.202 45 A CA -0.338 51.671 52.037 -0.047 0.000 0.837 45 A CB 0.789 19.777 19.000 -0.021 0.000 1.139 45 A HN 0.662 nan 8.150 nan 0.000 0.509 46 S N 1.859 117.477 115.700 -0.137 0.000 2.567 46 S HA 0.329 4.799 4.470 -0.000 0.000 0.262 46 S C -0.625 173.802 174.600 -0.288 0.000 1.237 46 S CA -0.480 57.656 58.200 -0.106 0.000 1.093 46 S CB -0.779 62.426 63.200 0.008 0.000 1.095 46 S HN 0.698 nan 8.310 nan 0.000 0.489 47 C N 5.855 124.857 119.300 -0.496 0.000 2.146 47 C HA 0.444 4.904 4.460 -0.000 0.000 0.338 47 C C -0.213 174.303 174.990 -0.790 0.000 1.074 47 C CA -0.865 57.568 59.018 -0.975 0.000 1.527 47 C CB -2.040 25.293 27.740 -0.678 0.000 1.915 47 C HN 0.768 nan 8.230 nan 0.000 0.453 48 F N 2.750 122.291 119.950 -0.681 0.000 2.384 48 F HA 0.325 4.851 4.527 -0.000 0.000 0.359 48 F C 0.983 176.752 175.800 -0.052 0.000 1.143 48 F CA -0.913 56.951 58.000 -0.227 0.000 1.216 48 F CB -0.141 38.781 39.000 -0.130 0.000 1.512 48 F HN 0.514 nan 8.300 nan 0.000 0.573 49 F N 0.090 120.146 119.950 0.177 0.000 2.216 49 F HA -0.122 4.404 4.527 -0.000 0.000 0.300 49 F C 1.442 177.276 175.800 0.056 0.000 1.085 49 F CA 0.811 58.917 58.000 0.175 0.000 1.326 49 F CB -0.100 38.874 39.000 -0.042 0.000 1.027 49 F HN 0.274 nan 8.300 nan 0.000 0.497 50 E N 0.984 121.329 120.200 0.242 0.000 2.133 50 E HA 0.520 4.870 4.350 -0.000 0.000 0.274 50 E C -0.502 176.243 176.600 0.241 0.000 0.930 50 E CA -0.847 55.654 56.400 0.168 0.000 0.770 50 E CB 1.230 31.000 29.700 0.116 0.000 1.104 50 E HN 0.075 nan 8.360 nan 0.000 0.403 51 A N 3.524 126.445 122.820 0.168 0.000 2.561 51 A HA 0.194 4.514 4.320 -0.000 0.000 0.234 51 A C 0.171 177.835 177.584 0.132 0.000 1.055 51 A CA 0.615 52.729 52.037 0.130 0.000 0.756 51 A CB 0.380 19.420 19.000 0.067 0.000 0.986 51 A HN 0.480 nan 8.150 nan 0.000 0.505 52 S N 1.650 117.373 115.700 0.038 0.000 2.548 52 S HA 0.266 4.736 4.470 -0.000 0.000 0.168 52 S C 0.771 175.272 174.600 -0.166 0.000 1.068 52 S CA 0.118 58.333 58.200 0.026 0.000 1.129 52 S CB -0.214 63.149 63.200 0.272 0.000 1.435 52 S HN 0.765 nan 8.310 nan 0.000 0.410 53 T N 3.264 117.759 114.554 -0.098 0.000 2.635 53 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 53 T C 1.841 176.490 174.700 -0.085 0.000 1.040 53 T CA 1.688 63.721 62.100 -0.113 0.000 1.156 53 T CB -0.238 68.598 68.868 -0.054 0.000 0.863 53 T HN 0.611 nan 8.240 nan 0.000 0.430 54 R N 0.214 120.706 120.500 -0.013 0.000 2.070 54 R HA -0.116 4.223 4.340 -0.000 0.000 0.233 54 R C 2.695 179.019 176.300 0.040 0.000 1.137 54 R CA 1.894 58.008 56.100 0.024 0.000 0.945 54 R CB -0.575 29.767 30.300 0.069 0.000 0.845 54 R HN 0.316 nan 8.270 nan 0.000 0.430 55 T N 0.209 114.821 114.554 0.096 0.000 2.708 55 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 55 T C 1.758 176.580 174.700 0.204 0.000 1.037 55 T CA 1.528 63.766 62.100 0.230 0.000 1.146 55 T CB -0.240 68.894 68.868 0.442 0.000 0.865 55 T HN 0.304 nan 8.240 nan 0.000 0.435 56 R N 0.493 120.855 120.500 -0.230 0.000 2.073 56 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 56 R C 2.454 178.691 176.300 -0.105 0.000 1.134 56 R CA 1.204 56.997 56.100 -0.512 0.000 0.952 56 R CB -0.434 29.141 30.300 -1.209 0.000 0.850 56 R HN 0.345 nan 8.270 nan 0.000 0.433 57 L N 0.069 121.234 121.223 -0.097 0.000 2.046 57 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 57 L C 2.683 179.566 176.870 0.022 0.000 1.077 57 L CA 1.554 56.379 54.840 -0.025 0.000 0.747 57 L CB -0.612 41.427 42.059 -0.033 0.000 0.896 57 L HN 0.350 nan 8.230 nan 0.000 0.432 58 S N -0.127 115.586 115.700 0.021 0.000 2.353 58 S HA -0.224 4.246 4.470 -0.000 0.000 0.222 58 S C 1.982 176.587 174.600 0.009 0.000 1.035 58 S CA 1.426 59.616 58.200 -0.016 0.000 1.025 58 S CB -0.365 62.808 63.200 -0.045 0.000 0.902 58 S HN 0.300 nan 8.310 nan 0.000 0.440 59 F N 1.575 121.552 119.950 0.045 0.000 2.069 59 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 59 F C 2.686 178.500 175.800 0.023 0.000 1.113 59 F CA 1.903 59.941 58.000 0.064 0.000 1.214 59 F CB -0.248 38.850 39.000 0.163 0.000 0.978 59 F HN 0.323 nan 8.300 nan 0.000 0.474 60 E N -0.714 119.633 120.200 0.245 0.000 2.085 60 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 60 E C 2.074 178.759 176.600 0.142 0.000 0.994 60 E CA 1.798 58.277 56.400 0.130 0.000 0.801 60 E CB -0.291 29.481 29.700 0.121 0.000 0.743 60 E HN 0.352 nan 8.360 nan 0.000 0.453 61 T N 0.596 115.231 114.554 0.134 0.000 2.684 61 T HA -0.147 4.202 4.350 -0.000 0.000 0.267 61 T C 2.125 176.864 174.700 0.065 0.000 1.036 61 T CA 1.443 63.612 62.100 0.116 0.000 1.148 61 T CB -0.220 68.661 68.868 0.022 0.000 0.863 61 T HN 0.075 nan 8.240 nan 0.000 0.436 62 S N 1.411 117.118 115.700 0.013 0.000 2.370 62 S HA -0.111 4.358 4.470 -0.000 0.000 0.226 62 S C 2.113 176.723 174.600 0.018 0.000 1.033 62 S CA 1.320 59.510 58.200 -0.015 0.000 1.011 62 S CB -0.463 62.713 63.200 -0.041 0.000 0.852 62 S HN 0.417 nan 8.310 nan 0.000 0.457 63 M N 0.803 120.408 119.600 0.009 0.000 2.073 63 M HA -0.178 4.302 4.480 -0.000 0.000 0.258 63 M C 2.197 178.427 176.300 -0.118 0.000 1.070 63 M CA 1.598 56.850 55.300 -0.080 0.000 1.103 63 M CB -0.701 31.785 32.600 -0.191 0.000 1.321 63 M HN 0.351 nan 8.290 nan 0.000 0.405 64 H N -0.324 118.770 119.070 0.039 0.000 2.423 64 H HA 0.003 4.559 4.556 -0.000 0.000 0.297 64 H C 2.179 177.520 175.328 0.022 0.000 1.075 64 H CA 1.071 57.136 56.048 0.027 0.000 1.342 64 H CB -0.278 29.495 29.762 0.019 0.000 1.395 64 H HN 0.254 nan 8.280 nan 0.000 0.530 65 R N 0.770 121.345 120.500 0.124 0.000 2.193 65 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 65 R C 1.933 178.273 176.300 0.065 0.000 1.110 65 R CA 0.405 56.553 56.100 0.080 0.000 0.988 65 R CB -0.365 29.964 30.300 0.049 0.000 0.871 65 R HN 0.350 nan 8.270 nan 0.000 0.458 66 L N -0.987 120.268 121.223 0.053 0.000 2.640 66 L HA 0.237 4.577 4.340 -0.000 0.000 0.230 66 L C 1.040 177.930 176.870 0.034 0.000 1.123 66 L CA 0.392 55.256 54.840 0.040 0.000 0.900 66 L CB 0.353 42.432 42.059 0.034 0.000 1.146 66 L HN 0.301 nan 8.230 nan 0.000 0.484 67 G N 0.206 109.037 108.800 0.052 0.000 2.157 67 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 67 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 67 G C 0.365 175.298 174.900 0.054 0.000 0.979 67 G CA 0.013 45.146 45.100 0.055 0.000 0.650 67 G HN 0.468 nan 8.290 nan 0.000 0.529 68 A N -0.007 122.827 122.820 0.023 0.000 2.304 68 A HA 0.823 5.142 4.320 -0.000 0.000 0.271 68 A C 0.798 178.376 177.584 -0.010 0.000 1.091 68 A CA 0.781 52.822 52.037 0.007 0.000 0.812 68 A CB 0.717 19.703 19.000 -0.022 0.000 1.056 68 A HN 0.964 nan 8.150 nan 0.000 0.489 69 S N -0.878 114.836 115.700 0.025 0.000 2.672 69 S HA 0.599 5.069 4.470 -0.000 0.000 0.276 69 S C -0.350 174.238 174.600 -0.021 0.000 1.207 69 S CA -0.477 57.752 58.200 0.048 0.000 1.002 69 S CB 1.292 64.535 63.200 0.072 0.000 0.998 69 S HN 0.632 nan 8.310 nan 0.000 0.542 70 V N 1.824 121.745 119.914 0.012 0.000 2.789 70 V HA 0.730 4.849 4.120 -0.000 0.000 0.311 70 V C -0.541 175.577 176.094 0.039 0.000 1.073 70 V CA -0.738 61.557 62.300 -0.008 0.000 0.921 70 V CB 1.732 33.525 31.823 -0.051 0.000 1.009 70 V HN 0.789 nan 8.190 nan 0.000 0.426 71 V N 0.603 120.532 119.914 0.026 0.000 3.078 71 V HA 1.160 5.279 4.120 -0.000 0.000 0.311 71 V C -0.049 176.051 176.094 0.009 0.000 1.138 71 V CA 0.151 62.475 62.300 0.039 0.000 1.007 71 V CB 1.520 33.380 31.823 0.061 0.000 1.045 71 V HN 1.569 nan 8.190 nan 0.000 0.432 72 G N 1.310 110.119 108.800 0.016 0.000 2.344 72 G HA2 0.663 4.622 3.960 -0.000 0.000 0.282 72 G HA3 0.663 4.622 3.960 -0.000 0.000 0.282 72 G C -1.621 173.262 174.900 -0.028 0.000 1.281 72 G CA 0.033 45.067 45.100 -0.110 0.000 0.877 72 G HN 2.236 nan 8.290 nan 0.000 0.494 73 F N -1.598 118.340 119.950 -0.020 0.000 2.665 73 F HA 0.867 5.394 4.527 -0.000 0.000 0.308 73 F C -0.644 175.151 175.800 -0.008 0.000 1.112 73 F CA -1.118 56.860 58.000 -0.038 0.000 0.972 73 F CB 1.699 40.648 39.000 -0.086 0.000 1.295 73 F HN 0.756 nan 8.300 nan 0.000 0.440 74 S N 1.069 116.854 115.700 0.142 0.000 2.519 74 S HA 0.497 4.966 4.470 -0.000 0.000 0.309 74 S C -0.821 173.888 174.600 0.181 0.000 1.100 74 S CA -0.385 57.886 58.200 0.119 0.000 1.059 74 S CB 1.288 64.483 63.200 -0.008 0.000 1.008 74 S HN 0.783 nan 8.310 nan 0.000 0.478 75 D N 1.627 122.152 120.400 0.208 0.000 2.766 75 D HA 0.153 4.792 4.640 -0.000 0.000 0.284 75 D C 0.467 176.816 176.300 0.082 0.000 1.050 75 D CA 0.683 54.767 54.000 0.141 0.000 0.945 75 D CB 0.535 41.414 40.800 0.130 0.000 1.272 75 D HN 0.627 nan 8.370 nan 0.000 0.482 76 S N 0.240 115.991 115.700 0.085 0.000 3.586 76 S HA -0.203 4.267 4.470 -0.000 0.000 0.309 76 S C 0.403 175.025 174.600 0.036 0.000 1.195 76 S CA 0.471 58.702 58.200 0.051 0.000 0.895 76 S CB -1.764 61.458 63.200 0.037 0.000 0.983 76 S HN 0.528 nan 8.310 nan 0.000 0.563 77 A N 1.052 123.900 122.820 0.047 0.000 2.615 77 A HA 0.324 4.644 4.320 -0.000 0.000 0.230 77 A C 0.473 178.058 177.584 0.002 0.000 1.062 77 A CA 0.973 53.022 52.037 0.021 0.000 0.758 77 A CB 0.003 19.024 19.000 0.035 0.000 0.995 77 A HN 0.773 nan 8.150 nan 0.000 0.511 78 N N 0.081 118.771 118.700 -0.017 0.000 2.851 78 N HA 0.279 5.019 4.740 -0.000 0.000 0.248 78 N C -0.253 175.238 175.510 -0.031 0.000 1.221 78 N CA 0.863 53.901 53.050 -0.020 0.000 0.847 78 N CB 0.390 38.864 38.487 -0.022 0.000 1.150 78 N HN 0.857 nan 8.380 nan 0.000 0.507 79 T N 0.759 115.302 114.554 -0.019 0.000 3.044 79 T HA -0.240 4.110 4.350 -0.000 0.000 0.450 79 T C -0.324 174.345 174.700 -0.050 0.000 0.774 79 T CA 0.868 62.958 62.100 -0.017 0.000 2.290 79 T CB -1.386 67.470 68.868 -0.020 0.000 1.648 79 T HN 0.411 nan 8.240 nan 0.000 0.569 80 S N 3.762 119.412 115.700 -0.084 0.000 2.443 80 S HA 0.428 4.898 4.470 -0.000 0.000 0.284 80 S C 0.641 175.091 174.600 -0.250 0.000 1.206 80 S CA -0.036 58.010 58.200 -0.257 0.000 1.074 80 S CB -0.035 62.848 63.200 -0.529 0.000 0.963 80 S HN 1.388 nan 8.310 nan 0.000 0.501 81 L N 4.444 125.550 121.223 -0.194 0.000 3.487 81 L HA -0.125 4.215 4.340 -0.000 0.000 0.450 81 L C 0.593 177.433 176.870 -0.050 0.000 1.290 81 L CA 1.323 56.092 54.840 -0.118 0.000 0.874 81 L CB -1.283 40.697 42.059 -0.131 0.000 1.804 81 L HN 0.792 nan 8.230 nan 0.000 0.831 82 G N -0.599 108.173 108.800 -0.048 0.000 2.645 82 G HA2 0.269 4.228 3.960 -0.000 0.000 0.208 82 G HA3 0.269 4.228 3.960 -0.000 0.000 0.208 82 G C 0.229 175.109 174.900 -0.034 0.000 1.264 82 G CA 0.136 45.217 45.100 -0.032 0.000 0.586 82 G HN 0.295 nan 8.290 nan 0.000 0.952 83 K N 0.995 121.374 120.400 -0.035 0.000 5.422 83 K HA -0.185 4.135 4.320 -0.000 0.000 0.441 83 K C 0.798 177.383 176.600 -0.026 0.000 1.132 83 K CA 0.652 56.920 56.287 -0.030 0.000 1.304 83 K CB -1.034 31.449 32.500 -0.028 0.000 1.710 83 K HN 0.871 nan 8.250 nan 0.000 0.405 84 K N -2.844 117.542 120.400 -0.024 0.000 3.507 84 K HA -0.331 3.989 4.320 -0.000 0.000 0.306 84 K C 0.736 177.322 176.600 -0.022 0.000 1.228 84 K CA 2.007 58.282 56.287 -0.021 0.000 1.016 84 K CB -1.506 30.983 32.500 -0.019 0.000 1.305 84 K HN 0.879 nan 8.250 nan 0.000 0.417 85 G N 0.579 109.364 108.800 -0.026 0.000 3.988 85 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.195 85 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.195 85 G C -0.670 174.208 174.900 -0.038 0.000 1.060 85 G CA -0.028 45.054 45.100 -0.030 0.000 0.847 85 G HN 0.292 nan 8.290 nan 0.000 0.515 86 E N 2.420 122.597 120.200 -0.038 0.000 2.384 86 E HA 0.350 4.700 4.350 -0.000 0.000 0.266 86 E C 0.876 177.439 176.600 -0.062 0.000 1.012 86 E CA 0.024 56.394 56.400 -0.050 0.000 0.901 86 E CB 0.697 30.370 29.700 -0.045 0.000 0.967 86 E HN 0.276 nan 8.360 nan 0.000 0.435 87 T N 1.581 116.079 114.554 -0.094 0.000 2.860 87 T HA 0.010 4.360 4.350 -0.000 0.000 0.299 87 T C 1.160 175.771 174.700 -0.149 0.000 1.045 87 T CA -0.752 61.271 62.100 -0.129 0.000 1.071 87 T CB 0.893 69.653 68.868 -0.181 0.000 0.985 87 T HN 0.508 nan 8.240 nan 0.000 0.537 88 L N 1.945 123.066 121.223 -0.170 0.000 2.131 88 L HA 0.119 4.459 4.340 -0.000 0.000 0.210 88 L C 2.670 179.381 176.870 -0.265 0.000 1.092 88 L CA 2.182 56.907 54.840 -0.192 0.000 0.759 88 L CB -1.508 40.385 42.059 -0.275 0.000 0.903 88 L HN 0.935 nan 8.230 nan 0.000 0.435 89 A N -0.414 122.140 122.820 -0.444 0.000 1.873 89 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 89 A C 2.021 179.245 177.584 -0.601 0.000 1.193 89 A CA 2.133 53.620 52.037 -0.916 0.000 0.629 89 A CB -0.994 17.084 19.000 -1.537 0.000 0.826 89 A HN 0.531 nan 8.150 nan 0.000 0.447 90 D N -1.133 119.038 120.400 -0.382 0.000 2.144 90 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 90 D C 2.148 178.366 176.300 -0.136 0.000 0.984 90 D CA 1.901 55.769 54.000 -0.220 0.000 0.834 90 D CB -0.695 40.016 40.800 -0.150 0.000 0.955 90 D HN 0.538 nan 8.370 nan 0.000 0.465 91 T N -0.592 113.906 114.554 -0.094 0.000 2.881 91 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 91 T C 1.905 176.603 174.700 -0.003 0.000 1.068 91 T CA 0.656 62.748 62.100 -0.014 0.000 1.131 91 T CB -0.162 68.757 68.868 0.086 0.000 0.871 91 T HN -0.059 nan 8.240 nan 0.000 0.479 92 I N 1.291 121.848 120.570 -0.021 0.000 2.406 92 I HA 0.033 4.203 4.170 -0.000 0.000 0.249 92 I C 2.827 178.933 176.117 -0.018 0.000 1.122 92 I CA 0.859 62.166 61.300 0.011 0.000 1.431 92 I CB -0.445 37.579 38.000 0.039 0.000 1.087 92 I HN 0.197 nan 8.210 nan 0.000 0.424 93 S N -0.162 115.518 115.700 -0.034 0.000 2.383 93 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 93 S C 2.137 176.683 174.600 -0.090 0.000 1.030 93 S CA 1.322 59.515 58.200 -0.012 0.000 1.002 93 S CB -0.301 62.896 63.200 -0.006 0.000 0.829 93 S HN 0.243 nan 8.310 nan 0.000 0.467 94 V N 2.167 121.990 119.914 -0.151 0.000 2.239 94 V HA -0.117 4.003 4.120 -0.000 0.000 0.242 94 V C 2.090 177.823 176.094 -0.601 0.000 1.038 94 V CA 1.519 63.639 62.300 -0.301 0.000 1.002 94 V CB -0.672 31.000 31.823 -0.252 0.000 0.641 94 V HN 0.440 nan 8.190 nan 0.000 0.449 95 I N 1.569 121.848 120.570 -0.484 0.000 2.248 95 I HA -0.256 3.913 4.170 -0.000 0.000 0.248 95 I C 2.500 178.478 176.117 -0.232 0.000 1.107 95 I CA 1.959 62.997 61.300 -0.436 0.000 1.373 95 I CB -0.606 37.345 38.000 -0.081 0.000 1.055 95 I HN 0.499 nan 8.210 nan 0.000 0.418 96 S N -0.367 115.257 115.700 -0.128 0.000 2.547 96 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 96 S C 1.803 176.390 174.600 -0.023 0.000 0.980 96 S CA 1.129 59.307 58.200 -0.035 0.000 0.941 96 S CB -0.873 62.329 63.200 0.003 0.000 0.763 96 S HN 0.627 nan 8.310 nan 0.000 0.532 97 T N -2.380 112.122 114.554 -0.086 0.000 3.065 97 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 97 T C 1.354 176.168 174.700 0.189 0.000 1.099 97 T CA -0.164 61.951 62.100 0.024 0.000 1.063 97 T CB -0.579 68.301 68.868 0.021 0.000 0.948 97 T HN 0.611 nan 8.240 nan 0.000 0.506 98 Y N 1.443 121.764 120.300 0.035 0.000 2.301 98 Y HA 0.332 4.882 4.550 -0.000 0.000 0.295 98 Y C 1.573 177.490 175.900 0.028 0.000 1.126 98 Y CA -0.178 57.941 58.100 0.031 0.000 1.154 98 Y CB 0.470 38.951 38.460 0.036 0.000 1.075 98 Y HN 0.200 nan 8.280 nan 0.000 0.534 99 V N -2.690 117.343 119.914 0.198 0.000 3.177 99 V HA 0.321 4.441 4.120 -0.000 0.000 0.319 99 V C 0.006 176.145 176.094 0.076 0.000 1.125 99 V CA -0.805 61.566 62.300 0.119 0.000 1.029 99 V CB 1.813 33.696 31.823 0.101 0.000 1.119 99 V HN 0.043 nan 8.190 nan 0.000 0.452 100 D N 0.983 121.418 120.400 0.059 0.000 2.305 100 D HA 0.417 5.057 4.640 -0.000 0.000 0.206 100 D C 0.617 176.934 176.300 0.029 0.000 0.974 100 D CA 1.654 55.681 54.000 0.045 0.000 0.871 100 D CB 1.048 41.878 40.800 0.050 0.000 0.947 100 D HN 0.988 nan 8.370 nan 0.000 0.516 101 A N 0.147 122.982 122.820 0.025 0.000 2.604 101 A HA 0.601 4.921 4.320 -0.000 0.000 0.295 101 A C -1.491 176.091 177.584 -0.004 0.000 1.067 101 A CA -0.613 51.431 52.037 0.013 0.000 0.683 101 A CB 1.147 20.152 19.000 0.009 0.000 1.281 101 A HN -0.002 nan 8.150 nan 0.000 0.407 102 I N 1.595 122.157 120.570 -0.012 0.000 2.389 102 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 102 I C -0.781 175.266 176.117 -0.116 0.000 0.999 102 I CA -0.917 60.355 61.300 -0.046 0.000 1.129 102 I CB 1.871 39.867 38.000 -0.008 0.000 1.288 102 I HN 0.327 nan 8.210 nan 0.000 0.444 103 V N 7.794 127.577 119.914 -0.218 0.000 2.370 103 V HA 0.527 4.647 4.120 -0.000 0.000 0.283 103 V C 0.003 175.832 176.094 -0.442 0.000 1.023 103 V CA -0.423 61.632 62.300 -0.409 0.000 0.857 103 V CB 1.488 32.917 31.823 -0.655 0.000 0.985 103 V HN 0.740 nan 8.190 nan 0.000 0.443 104 M N 4.485 123.840 119.600 -0.408 0.000 2.501 104 M HA 0.775 5.254 4.480 -0.000 0.000 0.293 104 M C -1.027 175.031 176.300 -0.403 0.000 1.192 104 M CA -0.856 54.221 55.300 -0.372 0.000 0.886 104 M CB 2.626 35.222 32.600 -0.007 0.000 1.710 104 M HN 0.454 nan 8.290 nan 0.000 0.457 105 R N 1.506 121.729 120.500 -0.462 0.000 2.561 105 R HA 0.600 4.940 4.340 -0.000 0.000 0.297 105 R C -1.822 174.544 176.300 0.110 0.000 0.969 105 R CA -0.355 55.590 56.100 -0.259 0.000 0.879 105 R CB 1.435 31.497 30.300 -0.396 0.000 1.178 105 R HN 0.911 nan 8.270 nan 0.000 0.445 106 H N 4.337 123.399 119.070 -0.013 0.000 3.012 106 H HA 0.285 4.841 4.556 -0.000 0.000 0.367 106 H C -2.291 173.032 175.328 -0.008 0.000 1.211 106 H CA -1.933 54.124 56.048 0.015 0.000 1.139 106 H CB 2.945 32.625 29.762 -0.137 0.000 1.838 106 H HN 0.440 nan 8.280 nan 0.000 0.550 107 P HA 0.000 nan 4.420 nan 0.000 0.231 107 P C -0.314 177.061 177.300 0.125 0.000 1.168 107 P CA 0.612 63.746 63.100 0.057 0.000 0.779 107 P CB 1.081 32.765 31.700 -0.026 0.000 0.844 108 Q N 0.528 120.507 119.800 0.299 0.000 2.256 108 Q HA 0.278 4.618 4.340 -0.000 0.000 0.257 108 Q C -0.437 175.575 176.000 0.020 0.000 0.936 108 Q CA -0.746 55.132 55.803 0.126 0.000 0.903 108 Q CB 1.178 29.981 28.738 0.108 0.000 1.263 108 Q HN 0.004 nan 8.270 nan 0.000 0.440 109 E N 0.286 120.484 120.200 -0.004 0.000 2.414 109 E HA 0.222 4.572 4.350 -0.000 0.000 0.263 109 E C 0.857 177.416 176.600 -0.068 0.000 1.000 109 E CA 1.317 57.702 56.400 -0.026 0.000 0.914 109 E CB 0.414 30.106 29.700 -0.014 0.000 0.948 109 E HN 0.853 nan 8.360 nan 0.000 0.444 110 G N 1.908 110.660 108.800 -0.080 0.000 2.217 110 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.246 110 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.246 110 G C 1.241 176.045 174.900 -0.160 0.000 0.990 110 G CA 0.655 45.695 45.100 -0.100 0.000 0.627 110 G HN 0.701 nan 8.290 nan 0.000 0.522 111 A N 0.692 123.362 122.820 -0.250 0.000 1.903 111 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 111 A C 2.870 180.277 177.584 -0.296 0.000 1.191 111 A CA 3.409 55.185 52.037 -0.435 0.000 0.638 111 A CB -1.025 17.457 19.000 -0.862 0.000 0.823 111 A HN 1.910 nan 8.150 nan 0.000 0.451 112 A N -0.795 121.905 122.820 -0.199 0.000 1.969 112 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 112 A C 2.153 179.652 177.584 -0.141 0.000 1.169 112 A CA 1.981 53.932 52.037 -0.143 0.000 0.635 112 A CB -0.393 18.552 19.000 -0.092 0.000 0.810 112 A HN 0.516 nan 8.150 nan 0.000 0.445 113 R N -0.097 120.327 120.500 -0.126 0.000 2.075 113 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 113 R C 1.944 178.168 176.300 -0.127 0.000 1.126 113 R CA 1.698 57.725 56.100 -0.121 0.000 0.963 113 R CB -0.792 29.455 30.300 -0.089 0.000 0.858 113 R HN 0.479 nan 8.270 nan 0.000 0.435 114 L N -0.115 121.047 121.223 -0.102 0.000 2.046 114 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 114 L C 2.198 179.095 176.870 0.044 0.000 1.077 114 L CA 1.865 56.691 54.840 -0.023 0.000 0.747 114 L CB -0.550 41.492 42.059 -0.028 0.000 0.896 114 L HN 0.326 nan 8.230 nan 0.000 0.432 115 A N -0.364 122.432 122.820 -0.039 0.000 1.883 115 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 115 A C 2.400 179.942 177.584 -0.070 0.000 1.186 115 A CA 2.541 54.576 52.037 -0.004 0.000 0.624 115 A CB -1.504 17.459 19.000 -0.061 0.000 0.822 115 A HN 0.648 nan 8.150 nan 0.000 0.444 116 T N -1.553 112.841 114.554 -0.266 0.000 2.822 116 T HA -0.191 4.159 4.350 -0.000 0.000 0.270 116 T C 1.330 175.841 174.700 -0.316 0.000 1.064 116 T CA 1.771 63.547 62.100 -0.541 0.000 1.131 116 T CB -0.554 67.758 68.868 -0.926 0.000 0.858 116 T HN 0.660 nan 8.240 nan 0.000 0.483 117 E N -0.253 119.779 120.200 -0.279 0.000 2.511 117 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 117 E C 0.412 176.579 176.600 -0.722 0.000 1.066 117 E CA 0.444 56.563 56.400 -0.467 0.000 0.871 117 E CB -0.064 29.292 29.700 -0.573 0.000 0.863 117 E HN 0.699 nan 8.360 nan 0.000 0.520 118 F N -1.221 118.676 119.950 -0.089 0.000 2.856 118 F HA 0.087 4.614 4.527 -0.000 0.000 0.338 118 F C 1.665 177.435 175.800 -0.050 0.000 1.100 118 F CA -0.208 57.754 58.000 -0.064 0.000 1.150 118 F CB 0.922 39.882 39.000 -0.068 0.000 1.101 118 F HN -0.068 nan 8.300 nan 0.000 0.548 119 S N -0.985 114.759 115.700 0.073 0.000 2.577 119 S HA 0.473 4.943 4.470 -0.000 0.000 0.219 119 S C 1.588 176.221 174.600 0.055 0.000 0.962 119 S CA 0.307 58.544 58.200 0.063 0.000 0.921 119 S CB -0.354 62.879 63.200 0.055 0.000 0.789 119 S HN 0.517 nan 8.310 nan 0.000 0.497 120 G N 3.871 112.693 108.800 0.037 0.000 2.634 120 G HA2 -0.495 3.465 3.960 -0.000 0.000 0.318 120 G HA3 -0.495 3.465 3.960 -0.000 0.000 0.318 120 G C 0.535 175.460 174.900 0.041 0.000 1.207 120 G CA 0.671 45.787 45.100 0.027 0.000 0.987 120 G HN 0.882 nan 8.290 nan 0.000 0.547 121 N N -0.142 118.571 118.700 0.021 0.000 2.398 121 N HA 0.336 5.076 4.740 -0.000 0.000 0.188 121 N C 0.306 175.808 175.510 -0.013 0.000 1.122 121 N CA 0.574 53.620 53.050 -0.007 0.000 0.866 121 N CB 0.562 39.044 38.487 -0.008 0.000 0.970 121 N HN 0.526 nan 8.380 nan 0.000 0.462 122 V N 1.706 121.641 119.914 0.034 0.000 2.383 122 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 122 V C -2.131 174.021 176.094 0.096 0.000 1.036 122 V CA -1.921 60.402 62.300 0.038 0.000 0.889 122 V CB 1.202 33.052 31.823 0.045 0.000 0.985 122 V HN 0.073 nan 8.190 nan 0.000 0.459 123 P HA 0.184 nan 4.420 nan 0.000 0.271 123 P C -0.759 176.649 177.300 0.181 0.000 1.216 123 P CA -0.056 63.073 63.100 0.047 0.000 0.776 123 P CB 0.713 32.363 31.700 -0.083 0.000 0.881 124 V N 4.990 125.146 119.914 0.403 0.000 2.370 124 V HA 0.251 4.371 4.120 -0.000 0.000 0.283 124 V C -0.053 176.100 176.094 0.099 0.000 1.023 124 V CA -0.434 61.952 62.300 0.142 0.000 0.857 124 V CB 1.046 32.857 31.823 -0.019 0.000 0.985 124 V HN 0.320 nan 8.190 nan 0.000 0.443 125 L N 4.710 125.942 121.223 0.016 0.000 2.280 125 L HA 0.468 4.807 4.340 -0.000 0.000 0.287 125 L C 0.217 177.066 176.870 -0.036 0.000 1.023 125 L CA -0.086 54.767 54.840 0.022 0.000 0.819 125 L CB 1.263 43.335 42.059 0.022 0.000 1.212 125 L HN 0.566 nan 8.230 nan 0.000 0.420 126 N N 2.401 121.119 118.700 0.031 0.000 2.411 126 N HA 0.318 5.058 4.740 -0.000 0.000 0.259 126 N C 0.358 175.915 175.510 0.078 0.000 1.103 126 N CA 0.056 53.111 53.050 0.009 0.000 0.954 126 N CB 1.592 40.098 38.487 0.031 0.000 1.085 126 N HN 0.670 nan 8.380 nan 0.000 0.485 127 A N 2.426 125.223 122.820 -0.039 0.000 2.379 127 A HA 0.531 4.851 4.320 -0.000 0.000 0.236 127 A C 0.633 178.141 177.584 -0.127 0.000 1.272 127 A CA 0.257 52.338 52.037 0.074 0.000 0.886 127 A CB -0.752 18.165 19.000 -0.139 0.000 0.962 127 A HN 0.912 nan 8.150 nan 0.000 0.504 128 G N 0.814 109.516 108.800 -0.163 0.000 2.873 128 G HA2 0.322 4.282 3.960 -0.000 0.000 0.507 128 G HA3 0.322 4.282 3.960 -0.000 0.000 0.507 128 G C -1.479 173.362 174.900 -0.098 0.000 1.440 128 G CA -0.248 44.690 45.100 -0.271 0.000 1.016 128 G HN 0.526 nan 8.290 nan 0.000 0.615 129 D N 1.909 122.284 120.400 -0.043 0.000 2.408 129 D HA 0.572 5.211 4.640 -0.000 0.000 0.261 129 D C 1.119 177.427 176.300 0.015 0.000 1.190 129 D CA 0.556 54.551 54.000 -0.008 0.000 0.910 129 D CB 0.685 41.462 40.800 -0.039 0.000 1.097 129 D HN 1.902 nan 8.370 nan 0.000 0.522 130 G N 2.836 111.657 108.800 0.034 0.000 2.582 130 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.288 130 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.288 130 G C 0.798 175.724 174.900 0.044 0.000 1.247 130 G CA 0.701 45.824 45.100 0.039 0.000 0.972 130 G HN 1.155 nan 8.290 nan 0.000 0.557 131 S N 0.512 116.245 115.700 0.056 0.000 2.710 131 S HA 0.136 4.605 4.470 -0.000 0.000 0.224 131 S C 1.244 175.903 174.600 0.099 0.000 0.948 131 S CA 1.041 59.295 58.200 0.089 0.000 0.949 131 S CB -0.145 63.124 63.200 0.114 0.000 0.778 131 S HN 0.825 nan 8.310 nan 0.000 0.498 132 N N 0.634 119.375 118.700 0.069 0.000 2.297 132 N HA 0.035 4.775 4.740 -0.000 0.000 0.204 132 N C -0.020 175.548 175.510 0.096 0.000 1.036 132 N CA 0.305 53.396 53.050 0.068 0.000 0.991 132 N CB 0.290 38.794 38.487 0.028 0.000 1.198 132 N HN 0.284 nan 8.380 nan 0.000 0.515 133 Q N -0.553 119.297 119.800 0.083 0.000 2.359 133 Q HA 0.240 4.580 4.340 -0.000 0.000 0.275 133 Q C -1.098 175.006 176.000 0.173 0.000 1.082 133 Q CA -0.329 55.546 55.803 0.120 0.000 0.849 133 Q CB 1.732 30.527 28.738 0.094 0.000 1.377 133 Q HN 0.517 nan 8.270 nan 0.000 0.452 134 H N 0.949 120.071 119.070 0.087 0.000 3.225 134 H HA 0.150 4.706 4.556 -0.000 0.000 0.205 134 H C -2.091 173.304 175.328 0.111 0.000 1.314 134 H CA -1.494 54.619 56.048 0.108 0.000 1.336 134 H CB 0.499 30.327 29.762 0.109 0.000 2.276 134 H HN 0.294 nan 8.280 nan 0.000 0.535 135 P HA -0.196 nan 4.420 nan 0.000 0.216 135 P C 1.466 178.845 177.300 0.132 0.000 1.150 135 P CA 2.159 65.356 63.100 0.161 0.000 0.843 135 P CB 0.069 31.856 31.700 0.145 0.000 0.787 136 T N -3.104 111.557 114.554 0.178 0.000 2.951 136 T HA -0.152 4.197 4.350 -0.000 0.000 0.268 136 T C 2.115 176.801 174.700 -0.024 0.000 1.073 136 T CA 1.163 63.318 62.100 0.092 0.000 1.134 136 T CB -0.841 68.101 68.868 0.122 0.000 0.884 136 T HN 0.045 nan 8.240 nan 0.000 0.479 137 Q N 1.510 121.207 119.800 -0.173 0.000 2.124 137 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 137 Q C 2.229 178.192 176.000 -0.063 0.000 0.977 137 Q CA 2.185 57.827 55.803 -0.268 0.000 0.850 137 Q CB -1.053 27.256 28.738 -0.714 0.000 0.901 137 Q HN 0.573 nan 8.270 nan 0.000 0.429 138 T N 0.684 115.224 114.554 -0.023 0.000 2.812 138 T HA -0.030 4.320 4.350 -0.000 0.000 0.264 138 T C 1.689 176.436 174.700 0.079 0.000 1.042 138 T CA 1.147 63.269 62.100 0.036 0.000 1.140 138 T CB -0.208 68.689 68.868 0.049 0.000 0.870 138 T HN 0.213 nan 8.240 nan 0.000 0.445 139 L N 1.018 122.287 121.223 0.078 0.000 2.042 139 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 139 L C 2.448 179.402 176.870 0.140 0.000 1.076 139 L CA 1.179 56.081 54.840 0.103 0.000 0.749 139 L CB -0.699 41.404 42.059 0.074 0.000 0.893 139 L HN 0.331 nan 8.230 nan 0.000 0.432 140 L N -2.825 118.465 121.223 0.111 0.000 2.201 140 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 140 L C 1.801 178.820 176.870 0.249 0.000 1.105 140 L CA 1.587 56.537 54.840 0.184 0.000 0.775 140 L CB -0.841 41.279 42.059 0.101 0.000 0.913 140 L HN 0.047 nan 8.230 nan 0.000 0.440 141 D N 0.776 121.292 120.400 0.193 0.000 2.084 141 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 141 D C 2.361 178.773 176.300 0.187 0.000 0.985 141 D CA 1.799 55.932 54.000 0.221 0.000 0.826 141 D CB -0.352 40.569 40.800 0.202 0.000 0.978 141 D HN 0.390 nan 8.370 nan 0.000 0.456 142 L N -0.116 121.199 121.223 0.153 0.000 2.079 142 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 142 L C 2.411 179.368 176.870 0.145 0.000 1.081 142 L CA 0.821 55.727 54.840 0.110 0.000 0.752 142 L CB -0.411 41.713 42.059 0.109 0.000 0.896 142 L HN 0.011 nan 8.230 nan 0.000 0.433 143 F N 0.618 120.609 119.950 0.069 0.000 2.134 143 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 143 F C 2.489 178.348 175.800 0.098 0.000 1.097 143 F CA 1.899 59.947 58.000 0.081 0.000 1.264 143 F CB -0.102 38.965 39.000 0.111 0.000 1.001 143 F HN -0.062 nan 8.300 nan 0.000 0.479 144 T N 1.369 115.968 114.554 0.076 0.000 2.746 144 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 144 T C 1.987 176.667 174.700 -0.035 0.000 1.039 144 T CA 1.810 63.932 62.100 0.036 0.000 1.142 144 T CB -0.385 68.626 68.868 0.239 0.000 0.866 144 T HN 0.269 nan 8.240 nan 0.000 0.444 145 I N 1.104 121.672 120.570 -0.002 0.000 2.202 145 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 145 I C 2.903 178.945 176.117 -0.125 0.000 1.091 145 I CA 1.369 62.639 61.300 -0.052 0.000 1.368 145 I CB -0.439 37.546 38.000 -0.025 0.000 1.058 145 I HN 0.320 nan 8.210 nan 0.000 0.410 146 Q N 1.261 120.981 119.800 -0.133 0.000 2.124 146 Q HA -0.284 4.055 4.340 -0.000 0.000 0.202 146 Q C 2.073 177.964 176.000 -0.183 0.000 0.977 146 Q CA 1.899 57.615 55.803 -0.146 0.000 0.850 146 Q CB -0.168 28.514 28.738 -0.093 0.000 0.901 146 Q HN 0.547 nan 8.270 nan 0.000 0.429 147 E N -0.171 119.858 120.200 -0.285 0.000 2.107 147 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 147 E C 1.708 178.176 176.600 -0.220 0.000 0.982 147 E CA 1.639 57.857 56.400 -0.304 0.000 0.809 147 E CB 0.113 29.499 29.700 -0.523 0.000 0.756 147 E HN 0.613 nan 8.360 nan 0.000 0.459 148 T N -2.094 112.316 114.554 -0.239 0.000 3.067 148 T HA 0.055 4.405 4.350 -0.000 0.000 0.257 148 T C 1.561 176.119 174.700 -0.238 0.000 1.105 148 T CA 0.136 62.052 62.100 -0.307 0.000 1.104 148 T CB 0.356 68.925 68.868 -0.499 0.000 0.925 148 T HN -0.001 nan 8.240 nan 0.000 0.498 149 Q N 0.353 120.045 119.800 -0.181 0.000 2.316 149 Q HA 0.331 4.671 4.340 -0.000 0.000 0.235 149 Q C 1.788 177.722 176.000 -0.111 0.000 0.863 149 Q CA 0.737 56.457 55.803 -0.138 0.000 0.939 149 Q CB 0.596 29.262 28.738 -0.121 0.000 1.108 149 Q HN 0.696 nan 8.270 nan 0.000 0.522 150 G N 2.643 111.375 108.800 -0.114 0.000 2.162 150 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 150 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 150 G C 0.204 175.060 174.900 -0.072 0.000 0.976 150 G CA 0.801 45.850 45.100 -0.085 0.000 0.655 150 G HN 0.417 nan 8.290 nan 0.000 0.533 151 R N -2.198 118.245 120.500 -0.095 0.000 2.741 151 R HA 0.666 5.006 4.340 -0.000 0.000 0.276 151 R C -0.357 175.834 176.300 -0.182 0.000 1.028 151 R CA -0.985 55.053 56.100 -0.103 0.000 0.865 151 R CB 0.205 30.464 30.300 -0.068 0.000 1.268 151 R HN 0.240 nan 8.270 nan 0.000 0.475 152 L N -0.329 120.724 121.223 -0.284 0.000 3.135 152 L HA 0.401 4.741 4.340 -0.000 0.000 0.279 152 L C -0.660 176.002 176.870 -0.347 0.000 1.200 152 L CA -0.210 54.319 54.840 -0.519 0.000 1.016 152 L CB 0.690 41.991 42.059 -1.264 0.000 1.391 152 L HN 0.518 nan 8.230 nan 0.000 0.588 153 D N 0.432 120.760 120.400 -0.121 0.000 2.252 153 D HA 0.259 4.899 4.640 -0.000 0.000 0.245 153 D C -0.161 176.122 176.300 -0.028 0.000 1.009 153 D CA -0.435 53.572 54.000 0.012 0.000 0.870 153 D CB 1.511 42.358 40.800 0.078 0.000 1.251 153 D HN -0.030 nan 8.370 nan 0.000 0.460 154 N N 0.158 118.842 118.700 -0.028 0.000 2.714 154 N HA -0.202 4.538 4.740 -0.000 0.000 0.253 154 N C -0.910 174.563 175.510 -0.061 0.000 1.024 154 N CA 0.315 53.337 53.050 -0.046 0.000 0.726 154 N CB -1.050 37.435 38.487 -0.003 0.000 0.908 154 N HN 0.309 nan 8.380 nan 0.000 0.542 155 L N 0.024 121.165 121.223 -0.137 0.000 2.334 155 L HA 0.437 4.776 4.340 -0.000 0.000 0.270 155 L C 0.584 177.311 176.870 -0.238 0.000 1.018 155 L CA -0.856 53.915 54.840 -0.115 0.000 0.811 155 L CB 1.120 43.097 42.059 -0.137 0.000 1.271 155 L HN 0.278 nan 8.230 nan 0.000 0.443 156 H N 1.774 120.795 119.070 -0.080 0.000 2.597 156 H HA 0.359 4.915 4.556 -0.000 0.000 0.303 156 H C -1.076 174.260 175.328 0.014 0.000 1.057 156 H CA -0.374 55.688 56.048 0.023 0.000 1.261 156 H CB 1.660 31.473 29.762 0.084 0.000 1.397 156 H HN 0.160 nan 8.280 nan 0.000 0.461 157 V N 3.013 122.910 119.914 -0.028 0.000 2.409 157 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 157 V C 0.190 176.429 176.094 0.242 0.000 1.020 157 V CA -0.819 61.498 62.300 0.029 0.000 0.848 157 V CB 1.334 33.070 31.823 -0.145 0.000 0.990 157 V HN 0.821 nan 8.190 nan 0.000 0.430 158 A N 6.699 129.667 122.820 0.246 0.000 2.317 158 A HA 0.931 5.251 4.320 -0.000 0.000 0.327 158 A C -0.459 177.308 177.584 0.305 0.000 1.178 158 A CA -0.582 51.622 52.037 0.279 0.000 0.817 158 A CB 0.971 20.035 19.000 0.107 0.000 1.189 158 A HN 0.811 nan 8.150 nan 0.000 0.489 159 M N 3.103 122.930 119.600 0.379 0.000 2.190 159 M HA 0.440 4.920 4.480 -0.000 0.000 0.312 159 M C -1.281 175.198 176.300 0.297 0.000 0.990 159 M CA -0.529 54.995 55.300 0.374 0.000 0.927 159 M CB 1.937 34.791 32.600 0.423 0.000 1.571 159 M HN 0.373 nan 8.290 nan 0.000 0.427 160 V N 1.894 121.935 119.914 0.210 0.000 2.680 160 V HA 0.990 5.110 4.120 -0.000 0.000 0.309 160 V C 0.468 176.602 176.094 0.068 0.000 1.052 160 V CA -0.055 62.331 62.300 0.143 0.000 0.908 160 V CB 1.325 33.248 31.823 0.166 0.000 1.001 160 V HN 1.143 nan 8.190 nan 0.000 0.431 161 G N 3.560 112.346 108.800 -0.023 0.000 2.541 161 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.208 161 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.208 161 G C -0.721 174.132 174.900 -0.079 0.000 1.191 161 G CA 0.099 45.175 45.100 -0.041 0.000 1.217 161 G HN 0.797 nan 8.290 nan 0.000 0.566 162 D N 1.992 122.384 120.400 -0.014 0.000 2.479 162 D HA 0.518 5.158 4.640 -0.000 0.000 0.218 162 D C 1.770 178.044 176.300 -0.044 0.000 1.131 162 D CA -0.320 53.678 54.000 -0.004 0.000 0.916 162 D CB 0.047 40.898 40.800 0.085 0.000 1.022 162 D HN 0.378 nan 8.370 nan 0.000 0.515 163 L N 2.674 123.839 121.223 -0.097 0.000 2.341 163 L HA 0.050 4.390 4.340 -0.000 0.000 0.214 163 L C 2.362 179.186 176.870 -0.077 0.000 1.115 163 L CA 0.200 54.961 54.840 -0.130 0.000 0.820 163 L CB -0.128 41.802 42.059 -0.214 0.000 0.944 163 L HN 0.306 nan 8.230 nan 0.000 0.452 164 K N 0.630 120.935 120.400 -0.157 0.000 1.985 164 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 164 K C 1.945 178.408 176.600 -0.228 0.000 1.047 164 K CA 1.835 57.954 56.287 -0.280 0.000 0.932 164 K CB -0.088 32.087 32.500 -0.541 0.000 0.716 164 K HN 0.168 nan 8.250 nan 0.000 0.439 165 Y N -0.059 120.275 120.300 0.056 0.000 2.510 165 Y HA 0.227 4.777 4.550 -0.000 0.000 0.273 165 Y C 1.117 176.961 175.900 -0.095 0.000 1.119 165 Y CA 0.084 58.212 58.100 0.045 0.000 1.286 165 Y CB -0.051 38.428 38.460 0.031 0.000 1.061 165 Y HN 0.041 nan 8.280 nan 0.000 0.542 166 G N 2.084 110.814 108.800 -0.117 0.000 2.327 166 G HA2 0.046 4.005 3.960 -0.000 0.000 0.278 166 G HA3 0.046 4.005 3.960 -0.000 0.000 0.278 166 G C 1.118 175.689 174.900 -0.547 0.000 1.145 166 G CA -0.409 44.554 45.100 -0.229 0.000 1.097 166 G HN 0.528 nan 8.290 nan 0.000 0.430 167 R N 1.224 121.595 120.500 -0.215 0.000 2.148 167 R HA -0.118 4.222 4.340 -0.000 0.000 0.227 167 R C 2.016 178.277 176.300 -0.066 0.000 1.103 167 R CA 1.752 57.786 56.100 -0.109 0.000 0.983 167 R CB -0.703 29.649 30.300 0.088 0.000 0.874 167 R HN 0.503 nan 8.270 nan 0.000 0.451 168 T N -0.406 114.125 114.554 -0.039 0.000 2.896 168 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 168 T C 2.148 176.777 174.700 -0.118 0.000 1.050 168 T CA 0.977 63.070 62.100 -0.011 0.000 1.140 168 T CB -0.436 68.478 68.868 0.076 0.000 0.877 168 T HN 0.216 nan 8.240 nan 0.000 0.457 169 V N -0.148 119.661 119.914 -0.174 0.000 2.515 169 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 169 V C 2.338 178.354 176.094 -0.131 0.000 1.058 169 V CA 1.560 63.736 62.300 -0.207 0.000 1.064 169 V CB -1.520 30.219 31.823 -0.139 0.000 0.675 169 V HN 0.614 nan 8.190 nan 0.000 0.461 170 H N 0.932 119.927 119.070 -0.126 0.000 2.353 170 H HA -0.065 4.491 4.556 -0.000 0.000 0.300 170 H C 2.626 177.895 175.328 -0.098 0.000 1.090 170 H CA 1.413 57.374 56.048 -0.146 0.000 1.327 170 H CB 0.004 29.732 29.762 -0.056 0.000 1.383 170 H HN 0.476 nan 8.280 nan 0.000 0.508 171 S N 0.652 116.395 115.700 0.071 0.000 2.387 171 S HA -0.098 4.371 4.470 -0.000 0.000 0.226 171 S C 2.065 176.672 174.600 0.011 0.000 1.026 171 S CA 0.565 58.795 58.200 0.051 0.000 0.972 171 S CB -0.144 63.092 63.200 0.061 0.000 0.814 171 S HN 0.152 nan 8.310 nan 0.000 0.477 172 L N 2.013 123.203 121.223 -0.056 0.000 2.017 172 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 172 L C 2.290 179.165 176.870 0.009 0.000 1.073 172 L CA 1.861 56.658 54.840 -0.071 0.000 0.745 172 L CB -1.389 40.498 42.059 -0.286 0.000 0.894 172 L HN 0.212 nan 8.230 nan 0.000 0.432 173 T N -0.621 113.901 114.554 -0.054 0.000 2.684 173 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 173 T C 1.823 176.455 174.700 -0.113 0.000 1.036 173 T CA 1.657 63.656 62.100 -0.168 0.000 1.148 173 T CB -0.249 68.415 68.868 -0.339 0.000 0.863 173 T HN 0.433 nan 8.240 nan 0.000 0.436 174 Q N 0.729 120.491 119.800 -0.064 0.000 2.061 174 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 174 Q C 2.799 178.837 176.000 0.064 0.000 0.984 174 Q CA 1.643 57.438 55.803 -0.013 0.000 0.846 174 Q CB -0.510 28.236 28.738 0.014 0.000 0.902 174 Q HN 0.595 nan 8.270 nan 0.000 0.421 175 A N 1.055 123.937 122.820 0.103 0.000 1.898 175 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 175 A C 2.173 179.950 177.584 0.322 0.000 1.181 175 A CA 0.977 53.125 52.037 0.184 0.000 0.620 175 A CB -0.671 18.435 19.000 0.176 0.000 0.819 175 A HN 0.284 nan 8.150 nan 0.000 0.442 176 L N -0.832 120.579 121.223 0.314 0.000 2.275 176 L HA -0.110 4.229 4.340 -0.000 0.000 0.215 176 L C 2.653 179.804 176.870 0.469 0.000 1.119 176 L CA 0.706 55.807 54.840 0.436 0.000 0.790 176 L CB -0.328 42.013 42.059 0.470 0.000 0.919 176 L HN 0.435 nan 8.230 nan 0.000 0.443 177 A N -0.624 122.380 122.820 0.306 0.000 2.235 177 A HA -0.059 4.261 4.320 -0.000 0.000 0.208 177 A C 1.984 179.644 177.584 0.126 0.000 1.172 177 A CA 0.618 52.780 52.037 0.209 0.000 0.786 177 A CB -0.227 18.820 19.000 0.077 0.000 0.804 177 A HN 0.283 nan 8.150 nan 0.000 0.479 178 K N -1.382 119.086 120.400 0.113 0.000 2.367 178 K HA 0.243 4.563 4.320 -0.000 0.000 0.194 178 K C -0.747 175.643 176.600 -0.350 0.000 1.027 178 K CA 0.037 56.250 56.287 -0.124 0.000 1.075 178 K CB 0.213 32.586 32.500 -0.213 0.000 0.845 178 K HN 0.468 nan 8.250 nan 0.000 0.529 179 F N 0.746 120.736 119.950 0.067 0.000 2.572 179 F HA 0.250 4.777 4.527 -0.000 0.000 0.342 179 F C 0.473 176.301 175.800 0.046 0.000 1.064 179 F CA -1.033 56.997 58.000 0.051 0.000 1.008 179 F CB 0.914 39.944 39.000 0.049 0.000 1.303 179 F HN -0.176 nan 8.300 nan 0.000 0.492 180 D N -0.443 120.089 120.400 0.221 0.000 2.228 180 D HA 0.373 5.013 4.640 -0.000 0.000 0.247 180 D C 0.672 177.019 176.300 0.079 0.000 0.995 180 D CA 0.127 54.198 54.000 0.119 0.000 0.903 180 D CB 1.612 42.459 40.800 0.078 0.000 1.205 180 D HN 0.784 nan 8.370 nan 0.000 0.459 181 G N 1.556 110.382 108.800 0.044 0.000 2.203 181 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 181 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 181 G C 0.203 175.056 174.900 -0.078 0.000 1.012 181 G CA -0.081 45.015 45.100 -0.007 0.000 0.749 181 G HN 0.477 nan 8.290 nan 0.000 0.512 182 N N 0.121 118.772 118.700 -0.082 0.000 2.513 182 N HA 0.527 5.267 4.740 -0.000 0.000 0.274 182 N C 0.510 175.787 175.510 -0.388 0.000 1.189 182 N CA 0.032 52.912 53.050 -0.283 0.000 0.975 182 N CB 0.635 38.932 38.487 -0.317 0.000 1.157 182 N HN 0.434 nan 8.380 nan 0.000 0.465 183 R N 1.041 121.149 120.500 -0.653 0.000 2.561 183 R HA 0.461 4.801 4.340 -0.000 0.000 0.297 183 R C -0.955 174.828 176.300 -0.861 0.000 0.969 183 R CA -0.587 55.138 56.100 -0.626 0.000 0.879 183 R CB 1.236 31.137 30.300 -0.666 0.000 1.178 183 R HN 0.375 nan 8.270 nan 0.000 0.445 184 F N 1.765 121.419 119.950 -0.494 0.000 2.480 184 F HA 0.457 4.984 4.527 -0.000 0.000 0.329 184 F C -0.411 174.851 175.800 -0.896 0.000 1.091 184 F CA -0.790 56.877 58.000 -0.554 0.000 0.972 184 F CB 1.251 39.932 39.000 -0.531 0.000 1.150 184 F HN 0.320 nan 8.300 nan 0.000 0.467 185 Y N 2.143 122.291 120.300 -0.253 0.000 2.361 185 Y HA 0.563 5.113 4.550 -0.000 0.000 0.337 185 Y C -1.140 174.725 175.900 -0.059 0.000 0.965 185 Y CA -1.213 56.816 58.100 -0.117 0.000 1.091 185 Y CB 1.216 39.657 38.460 -0.031 0.000 1.182 185 Y HN 0.291 nan 8.280 nan 0.000 0.450 186 F N 4.087 124.285 119.950 0.412 0.000 2.402 186 F HA 0.567 5.093 4.527 -0.000 0.000 0.355 186 F C -0.494 175.438 175.800 0.221 0.000 1.123 186 F CA -1.694 56.448 58.000 0.236 0.000 1.021 186 F CB 1.010 40.074 39.000 0.106 0.000 1.160 186 F HN 0.267 nan 8.300 nan 0.000 0.451 187 I N 3.626 124.401 120.570 0.342 0.000 2.405 187 I HA 0.708 4.878 4.170 -0.000 0.000 0.280 187 I C -0.267 175.798 176.117 -0.086 0.000 1.027 187 I CA -0.098 61.337 61.300 0.224 0.000 1.161 187 I CB 0.894 39.075 38.000 0.302 0.000 1.300 187 I HN 0.705 nan 8.210 nan 0.000 0.463 188 A N 7.610 130.279 122.820 -0.253 0.000 2.604 188 A HA 0.878 5.198 4.320 -0.000 0.000 0.295 188 A C -2.899 174.398 177.584 -0.480 0.000 1.067 188 A CA -1.175 50.534 52.037 -0.547 0.000 0.683 188 A CB 1.485 20.335 19.000 -0.249 0.000 1.281 188 A HN 0.337 nan 8.150 nan 0.000 0.407 189 P HA 0.272 nan 4.420 nan 0.000 0.275 189 P C -0.415 176.848 177.300 -0.061 0.000 1.266 189 P CA 0.033 63.062 63.100 -0.119 0.000 0.793 189 P CB 0.602 32.300 31.700 -0.004 0.000 1.074 190 D N 0.192 120.597 120.400 0.009 0.000 2.144 190 D HA -0.111 4.528 4.640 -0.000 0.000 0.199 190 D C 1.977 178.265 176.300 -0.020 0.000 0.984 190 D CA 1.775 55.775 54.000 -0.000 0.000 0.834 190 D CB -0.689 40.127 40.800 0.025 0.000 0.955 190 D HN 0.386 nan 8.370 nan 0.000 0.465 191 A N -0.139 122.680 122.820 -0.002 0.000 2.121 191 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 191 A C 1.374 178.943 177.584 -0.025 0.000 1.154 191 A CA 0.811 52.852 52.037 0.007 0.000 0.679 191 A CB -0.242 18.788 19.000 0.049 0.000 0.795 191 A HN 0.273 nan 8.150 nan 0.000 0.458 192 L N -0.724 120.460 121.223 -0.064 0.000 3.288 192 L HA 0.393 4.733 4.340 -0.000 0.000 0.293 192 L C 0.597 177.373 176.870 -0.157 0.000 1.294 192 L CA -0.466 54.310 54.840 -0.107 0.000 1.006 192 L CB 0.333 42.358 42.059 -0.056 0.000 1.407 192 L HN 0.244 nan 8.230 nan 0.000 0.592 193 A N 0.637 123.365 122.820 -0.154 0.000 2.425 193 A HA 0.377 4.697 4.320 -0.000 0.000 0.242 193 A C 0.190 177.620 177.584 -0.257 0.000 1.077 193 A CA -0.343 51.590 52.037 -0.173 0.000 0.781 193 A CB 0.306 19.229 19.000 -0.130 0.000 1.020 193 A HN 0.336 nan 8.150 nan 0.000 0.494 194 M N 2.666 122.050 119.600 -0.359 0.000 2.284 194 M HA 0.249 4.728 4.480 -0.000 0.000 0.351 194 M C -2.232 173.759 176.300 -0.516 0.000 1.443 194 M CA -1.434 53.537 55.300 -0.548 0.000 1.031 194 M CB -0.287 31.683 32.600 -1.051 0.000 1.893 194 M HN 0.330 nan 8.290 nan 0.000 0.456 195 P HA -0.021 nan 4.420 nan 0.000 0.266 195 P C -0.246 176.764 177.300 -0.484 0.000 1.193 195 P CA 0.020 62.853 63.100 -0.445 0.000 0.770 195 P CB 0.485 31.894 31.700 -0.484 0.000 0.836 196 Q N 2.825 122.466 119.800 -0.265 0.000 2.135 196 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 196 Q C 1.782 177.663 176.000 -0.199 0.000 0.981 196 Q CA 1.958 57.637 55.803 -0.207 0.000 0.856 196 Q CB -1.087 27.604 28.738 -0.079 0.000 0.902 196 Q HN 0.658 nan 8.270 nan 0.000 0.425 197 Y N -1.847 118.325 120.300 -0.214 0.000 2.274 197 Y HA -0.112 4.438 4.550 -0.000 0.000 0.290 197 Y C 1.564 177.327 175.900 -0.228 0.000 1.145 197 Y CA 0.813 58.799 58.100 -0.190 0.000 1.203 197 Y CB -0.351 38.002 38.460 -0.179 0.000 0.984 197 Y HN 0.061 nan 8.280 nan 0.000 0.533 198 I N 0.947 120.933 120.570 -0.973 0.000 2.233 198 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 198 I C 2.387 178.167 176.117 -0.561 0.000 1.093 198 I CA 1.090 61.891 61.300 -0.832 0.000 1.380 198 I CB -1.004 36.393 38.000 -1.006 0.000 1.067 198 I HN 0.397 nan 8.210 nan 0.000 0.413 199 L N 0.251 121.114 121.223 -0.601 0.000 2.131 199 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 199 L C 2.103 178.866 176.870 -0.178 0.000 1.092 199 L CA 1.146 55.640 54.840 -0.577 0.000 0.759 199 L CB -0.720 40.935 42.059 -0.673 0.000 0.903 199 L HN 0.204 nan 8.230 nan 0.000 0.435 200 D N -0.223 120.101 120.400 -0.126 0.000 2.117 200 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 200 D C 2.176 178.474 176.300 -0.003 0.000 0.982 200 D CA 1.025 55.017 54.000 -0.013 0.000 0.828 200 D CB -0.109 40.689 40.800 -0.003 0.000 0.967 200 D HN 0.190 nan 8.370 nan 0.000 0.464 201 M N 0.428 119.997 119.600 -0.053 0.000 2.117 201 M HA -0.116 4.363 4.480 -0.000 0.000 0.262 201 M C 1.939 178.232 176.300 -0.012 0.000 1.065 201 M CA 1.126 56.405 55.300 -0.035 0.000 1.114 201 M CB -0.306 32.253 32.600 -0.069 0.000 1.361 201 M HN 0.004 nan 8.290 nan 0.000 0.408 202 L N -0.190 121.016 121.223 -0.028 0.000 2.027 202 L HA -0.229 4.111 4.340 -0.000 0.000 0.206 202 L C 2.199 179.171 176.870 0.171 0.000 1.074 202 L CA 1.178 56.062 54.840 0.072 0.000 0.745 202 L CB -1.073 41.041 42.059 0.092 0.000 0.898 202 L HN 0.230 nan 8.230 nan 0.000 0.433 203 D N 0.065 120.598 120.400 0.222 0.000 2.092 203 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 203 D C 2.066 178.429 176.300 0.106 0.000 0.994 203 D CA 1.145 55.265 54.000 0.201 0.000 0.828 203 D CB -0.207 40.715 40.800 0.203 0.000 0.963 203 D HN 0.221 nan 8.370 nan 0.000 0.450 204 E N 0.840 121.088 120.200 0.079 0.000 2.396 204 E HA -0.158 4.192 4.350 -0.000 0.000 0.200 204 E C 0.712 177.339 176.600 0.044 0.000 1.023 204 E CA 0.769 57.199 56.400 0.049 0.000 0.857 204 E CB 0.125 29.846 29.700 0.035 0.000 0.775 204 E HN 0.285 nan 8.360 nan 0.000 0.525 205 K N -1.349 119.085 120.400 0.057 0.000 2.438 205 K HA 0.176 4.496 4.320 -0.000 0.000 0.205 205 K C 0.714 177.349 176.600 0.059 0.000 1.033 205 K CA 0.410 56.727 56.287 0.052 0.000 1.089 205 K CB 0.989 33.521 32.500 0.054 0.000 0.857 205 K HN 0.129 nan 8.250 nan 0.000 0.522 206 G N 2.128 110.965 108.800 0.062 0.000 2.148 206 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 206 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 206 G C 0.091 175.029 174.900 0.064 0.000 0.981 206 G CA -0.034 45.096 45.100 0.049 0.000 0.670 206 G HN 0.276 nan 8.290 nan 0.000 0.528 207 I N 1.335 121.974 120.570 0.115 0.000 2.325 207 I HA 0.550 4.720 4.170 -0.000 0.000 0.291 207 I C 0.927 177.156 176.117 0.186 0.000 1.019 207 I CA -0.385 61.015 61.300 0.167 0.000 1.302 207 I CB 1.501 39.655 38.000 0.256 0.000 1.401 207 I HN 0.257 nan 8.210 nan 0.000 0.485 208 A N 8.793 131.660 122.820 0.077 0.000 2.354 208 A HA 0.605 4.925 4.320 -0.000 0.000 0.269 208 A C -0.691 176.916 177.584 0.038 0.000 1.109 208 A CA -0.330 51.675 52.037 -0.053 0.000 0.800 208 A CB 0.472 19.390 19.000 -0.138 0.000 1.045 208 A HN 0.883 nan 8.150 nan 0.000 0.489 209 W N 0.443 121.675 121.300 -0.114 0.000 3.118 209 W HA 0.711 5.371 4.660 -0.000 0.000 0.328 209 W C -1.117 175.276 176.519 -0.210 0.000 1.239 209 W CA -0.663 56.537 57.345 -0.242 0.000 1.176 209 W CB 0.861 30.226 29.460 -0.160 0.000 1.433 209 W HN 0.806 nan 8.180 nan 0.000 0.562 210 S N 1.092 116.833 115.700 0.067 0.000 2.588 210 S HA 0.747 5.217 4.470 -0.000 0.000 0.275 210 S C -1.129 173.642 174.600 0.286 0.000 1.130 210 S CA -1.038 57.207 58.200 0.074 0.000 0.855 210 S CB 2.415 65.670 63.200 0.092 0.000 1.116 210 S HN 0.461 nan 8.310 nan 0.000 0.472 211 L N 2.515 123.820 121.223 0.137 0.000 2.307 211 L HA 0.604 4.944 4.340 -0.000 0.000 0.284 211 L C -0.391 176.398 176.870 -0.134 0.000 1.023 211 L CA -0.503 54.453 54.840 0.193 0.000 0.810 211 L CB 0.977 43.180 42.059 0.239 0.000 1.231 211 L HN 0.667 nan 8.230 nan 0.000 0.423 212 H N 0.525 119.738 119.070 0.238 0.000 2.821 212 H HA 0.206 4.762 4.556 -0.000 0.000 0.373 212 H C 0.107 175.570 175.328 0.225 0.000 1.165 212 H CA -0.464 55.704 56.048 0.200 0.000 1.154 212 H CB 2.349 32.224 29.762 0.188 0.000 1.765 212 H HN 0.632 nan 8.280 nan 0.000 0.549 213 S N 0.655 116.541 115.700 0.310 0.000 2.501 213 S HA 0.029 4.499 4.470 -0.000 0.000 0.220 213 S C 0.823 175.606 174.600 0.305 0.000 0.997 213 S CA 0.211 58.603 58.200 0.320 0.000 0.919 213 S CB 0.162 63.483 63.200 0.202 0.000 0.778 213 S HN 0.589 nan 8.310 nan 0.000 0.523 214 S N 0.213 116.043 115.700 0.217 0.000 2.651 214 S HA 0.599 5.068 4.470 -0.000 0.000 0.279 214 S C 0.417 175.082 174.600 0.108 0.000 1.148 214 S CA -0.811 57.457 58.200 0.115 0.000 0.837 214 S CB 0.654 63.857 63.200 0.005 0.000 1.138 214 S HN 0.059 nan 8.310 nan 0.000 0.478 215 I N 0.371 120.978 120.570 0.063 0.000 2.546 215 I HA 0.056 4.226 4.170 -0.000 0.000 0.255 215 I C 2.052 178.136 176.117 -0.055 0.000 1.163 215 I CA 0.893 62.200 61.300 0.011 0.000 1.457 215 I CB -1.447 36.560 38.000 0.012 0.000 1.092 215 I HN 0.833 nan 8.210 nan 0.000 0.434 216 E N 1.757 121.938 120.200 -0.032 0.000 2.153 216 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 216 E C 1.803 178.361 176.600 -0.070 0.000 0.988 216 E CA 1.355 57.727 56.400 -0.047 0.000 0.811 216 E CB -0.565 29.135 29.700 0.001 0.000 0.746 216 E HN 0.627 nan 8.360 nan 0.000 0.466 217 E N 0.506 120.676 120.200 -0.049 0.000 2.204 217 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 217 E C 1.933 178.401 176.600 -0.221 0.000 0.990 217 E CA 1.042 57.405 56.400 -0.061 0.000 0.821 217 E CB 0.222 29.956 29.700 0.058 0.000 0.750 217 E HN 0.133 nan 8.360 nan 0.000 0.477 218 V N -0.139 119.580 119.914 -0.325 0.000 3.570 218 V HA -0.024 4.096 4.120 -0.000 0.000 0.257 218 V C 1.701 177.547 176.094 -0.413 0.000 1.272 218 V CA 0.292 62.273 62.300 -0.533 0.000 1.079 218 V CB 0.324 31.661 31.823 -0.811 0.000 0.829 218 V HN 0.150 nan 8.190 nan 0.000 0.454 219 M N 1.919 121.347 119.600 -0.288 0.000 2.190 219 M HA -0.267 4.213 4.480 -0.000 0.000 0.252 219 M C 1.991 178.131 176.300 -0.266 0.000 1.076 219 M CA 2.923 58.067 55.300 -0.260 0.000 1.079 219 M CB -0.914 31.541 32.600 -0.241 0.000 1.303 219 M HN 0.405 nan 8.290 nan 0.000 0.412 220 A N -1.454 121.218 122.820 -0.247 0.000 2.067 220 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 220 A C 1.970 179.415 177.584 -0.231 0.000 1.158 220 A CA 1.762 53.670 52.037 -0.216 0.000 0.661 220 A CB -0.550 18.347 19.000 -0.171 0.000 0.801 220 A HN 0.601 nan 8.150 nan 0.000 0.452 221 E N -0.878 119.152 120.200 -0.283 0.000 2.431 221 E HA 0.109 4.459 4.350 -0.000 0.000 0.200 221 E C 0.494 176.914 176.600 -0.299 0.000 0.995 221 E CA 0.013 56.212 56.400 -0.335 0.000 0.915 221 E CB 0.025 29.536 29.700 -0.315 0.000 0.930 221 E HN 0.272 nan 8.360 nan 0.000 0.496 222 V N 2.368 122.125 119.914 -0.262 0.000 2.572 222 V HA -0.015 4.104 4.120 -0.000 0.000 0.291 222 V C 0.589 176.629 176.094 -0.090 0.000 1.039 222 V CA 0.400 62.612 62.300 -0.147 0.000 1.055 222 V CB 0.831 32.540 31.823 -0.191 0.000 0.969 222 V HN 0.024 nan 8.190 nan 0.000 0.482 223 D N 5.408 125.802 120.400 -0.011 0.000 2.323 223 D HA 0.188 4.828 4.640 -0.000 0.000 0.218 223 D C 0.035 176.317 176.300 -0.030 0.000 0.973 223 D CA 0.765 54.747 54.000 -0.030 0.000 0.890 223 D CB 0.645 41.442 40.800 -0.006 0.000 1.011 223 D HN 0.348 nan 8.370 nan 0.000 0.499 224 I N 1.866 122.440 120.570 0.007 0.000 2.478 224 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 224 I C -0.862 175.306 176.117 0.084 0.000 1.042 224 I CA -1.007 60.319 61.300 0.044 0.000 1.067 224 I CB 2.106 40.150 38.000 0.073 0.000 1.233 224 I HN -0.154 nan 8.210 nan 0.000 0.431 225 L N 8.578 129.851 121.223 0.083 0.000 2.277 225 L HA 0.431 4.771 4.340 -0.000 0.000 0.284 225 L C -1.478 175.478 176.870 0.142 0.000 1.028 225 L CA -0.375 54.525 54.840 0.099 0.000 0.835 225 L CB 0.814 42.895 42.059 0.037 0.000 1.215 225 L HN 0.418 nan 8.230 nan 0.000 0.425 226 Y N 6.249 126.601 120.300 0.087 0.000 2.385 226 Y HA 0.548 5.098 4.550 -0.000 0.000 0.341 226 Y C -0.332 175.587 175.900 0.031 0.000 0.965 226 Y CA -0.671 57.472 58.100 0.072 0.000 1.180 226 Y CB 0.822 39.336 38.460 0.090 0.000 1.139 226 Y HN 0.517 nan 8.280 nan 0.000 0.502 227 M N 4.591 124.044 119.600 -0.246 0.000 2.318 227 M HA 0.315 4.795 4.480 -0.000 0.000 0.347 227 M C -0.102 175.887 176.300 -0.518 0.000 1.175 227 M CA -0.286 54.895 55.300 -0.197 0.000 1.075 227 M CB 1.557 34.126 32.600 -0.053 0.000 1.614 227 M HN 0.583 nan 8.290 nan 0.000 0.456 228 T N 1.596 115.975 114.554 -0.291 0.000 2.907 228 T HA 0.627 4.977 4.350 -0.000 0.000 0.292 228 T C -0.693 173.917 174.700 -0.150 0.000 1.043 228 T CA -0.879 61.039 62.100 -0.304 0.000 1.003 228 T CB 1.480 70.328 68.868 -0.033 0.000 1.084 228 T HN 0.796 nan 8.240 nan 0.000 0.483 229 R N 1.849 122.324 120.500 -0.042 0.000 2.441 229 R HA 0.612 4.952 4.340 -0.000 0.000 0.284 229 R C -0.751 175.620 176.300 0.118 0.000 1.070 229 R CA -0.625 55.558 56.100 0.138 0.000 1.047 229 R CB 0.210 30.625 30.300 0.191 0.000 1.016 229 R HN 0.288 nan 8.270 nan 0.000 0.477 230 V N 4.051 124.064 119.914 0.164 0.000 2.470 230 V HA -0.006 4.114 4.120 -0.000 0.000 0.276 230 V C 0.624 176.787 176.094 0.115 0.000 1.040 230 V CA -0.137 62.272 62.300 0.182 0.000 1.008 230 V CB 0.858 32.884 31.823 0.337 0.000 0.990 230 V HN 0.787 nan 8.190 nan 0.000 0.477 231 Q N 4.989 124.849 119.800 0.101 0.000 3.107 231 Q HA -0.004 4.336 4.340 -0.000 0.000 0.268 231 Q C 1.423 177.419 176.000 -0.007 0.000 1.382 231 Q CA -0.165 55.655 55.803 0.028 0.000 0.927 231 Q CB -0.147 28.593 28.738 0.004 0.000 1.755 231 Q HN 0.851 nan 8.270 nan 0.000 0.545 232 K N 0.636 120.991 120.400 -0.075 0.000 2.211 232 K HA -0.190 4.129 4.320 -0.000 0.000 0.204 232 K C 1.281 177.787 176.600 -0.156 0.000 1.047 232 K CA 1.338 57.498 56.287 -0.212 0.000 0.935 232 K CB 0.051 32.099 32.500 -0.752 0.000 0.728 232 K HN 0.257 nan 8.250 nan 0.000 0.452 233 E N 1.682 121.806 120.200 -0.125 0.000 2.533 233 E HA -0.153 4.197 4.350 -0.000 0.000 0.201 233 E C 1.318 177.872 176.600 -0.076 0.000 1.097 233 E CA 0.687 57.030 56.400 -0.095 0.000 0.887 233 E CB 0.053 29.704 29.700 -0.081 0.000 0.855 233 E HN 0.460 nan 8.360 nan 0.000 0.540 234 R N -0.202 120.258 120.500 -0.067 0.000 2.287 234 R HA 0.325 4.664 4.340 -0.000 0.000 0.197 234 R C 0.639 176.940 176.300 0.001 0.000 0.900 234 R CA -0.031 56.030 56.100 -0.064 0.000 1.052 234 R CB 0.441 30.667 30.300 -0.123 0.000 1.117 234 R HN 0.093 nan 8.270 nan 0.000 0.568 235 L N 0.161 121.406 121.223 0.037 0.000 2.365 235 L HA 0.366 4.705 4.340 -0.000 0.000 0.267 235 L C -0.216 176.699 176.870 0.075 0.000 1.033 235 L CA -1.068 53.822 54.840 0.084 0.000 0.802 235 L CB 0.898 43.051 42.059 0.157 0.000 1.267 235 L HN -0.060 nan 8.230 nan 0.000 0.457 236 D N 0.263 120.714 120.400 0.086 0.000 2.372 236 D HA 0.125 4.764 4.640 -0.000 0.000 0.243 236 D C -1.854 174.513 176.300 0.111 0.000 1.121 236 D CA -1.248 52.798 54.000 0.076 0.000 0.898 236 D CB 1.365 42.205 40.800 0.066 0.000 1.202 236 D HN 0.168 nan 8.370 nan 0.000 0.428 237 P HA -0.132 nan 4.420 nan 0.000 0.216 237 P C 1.008 178.396 177.300 0.146 0.000 1.150 237 P CA 1.073 64.250 63.100 0.128 0.000 0.843 237 P CB 0.196 31.945 31.700 0.082 0.000 0.787 238 S N -0.868 114.891 115.700 0.098 0.000 2.368 238 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 238 S C 1.937 176.584 174.600 0.079 0.000 1.029 238 S CA 1.012 59.258 58.200 0.076 0.000 0.988 238 S CB -0.715 62.519 63.200 0.055 0.000 0.838 238 S HN 0.304 nan 8.310 nan 0.000 0.462 239 E N 0.017 120.274 120.200 0.095 0.000 2.051 239 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 239 E C 1.807 178.474 176.600 0.111 0.000 0.991 239 E CA 1.146 57.604 56.400 0.097 0.000 0.799 239 E CB -0.227 29.536 29.700 0.105 0.000 0.748 239 E HN 0.676 nan 8.360 nan 0.000 0.449 240 Y N 0.232 120.566 120.300 0.058 0.000 2.497 240 Y HA -0.105 4.445 4.550 -0.000 0.000 0.292 240 Y C 1.777 177.717 175.900 0.068 0.000 1.137 240 Y CA 1.097 59.237 58.100 0.066 0.000 1.285 240 Y CB -0.056 38.437 38.460 0.055 0.000 0.991 240 Y HN 0.127 nan 8.280 nan 0.000 0.556 241 A N 0.427 123.211 122.820 -0.060 0.000 1.874 241 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 241 A C 2.013 179.524 177.584 -0.123 0.000 1.189 241 A CA 1.477 53.451 52.037 -0.106 0.000 0.615 241 A CB -0.617 18.390 19.000 0.012 0.000 0.830 241 A HN 0.508 nan 8.150 nan 0.000 0.443 242 N N 0.467 119.136 118.700 -0.052 0.000 2.084 242 N HA -0.155 4.584 4.740 -0.000 0.000 0.190 242 N C 1.935 177.431 175.510 -0.022 0.000 1.030 242 N CA 2.096 55.130 53.050 -0.026 0.000 0.849 242 N CB -0.766 37.730 38.487 0.014 0.000 1.012 242 N HN 0.524 nan 8.380 nan 0.000 0.423 243 V N -0.236 119.675 119.914 -0.006 0.000 2.379 243 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 243 V C 2.319 178.458 176.094 0.075 0.000 1.044 243 V CA 1.569 63.939 62.300 0.116 0.000 1.036 243 V CB -0.616 31.294 31.823 0.144 0.000 0.664 243 V HN 0.146 nan 8.190 nan 0.000 0.453 244 K N 1.399 121.674 120.400 -0.207 0.000 1.988 244 K HA -0.251 4.069 4.320 -0.000 0.000 0.221 244 K C 2.240 178.778 176.600 -0.103 0.000 1.053 244 K CA 2.649 58.776 56.287 -0.267 0.000 0.959 244 K CB -0.997 31.108 32.500 -0.659 0.000 0.728 244 K HN 0.563 nan 8.250 nan 0.000 0.447 245 A N 0.640 123.383 122.820 -0.130 0.000 2.104 245 A HA -0.296 4.024 4.320 -0.000 0.000 0.223 245 A C 1.990 179.484 177.584 -0.150 0.000 1.164 245 A CA 2.125 54.099 52.037 -0.104 0.000 0.659 245 A CB -0.570 18.376 19.000 -0.089 0.000 0.808 245 A HN 0.647 nan 8.150 nan 0.000 0.465 246 Q N -1.958 117.699 119.800 -0.239 0.000 2.107 246 Q HA 0.065 4.404 4.340 -0.000 0.000 0.195 246 Q C 0.212 175.816 176.000 -0.660 0.000 0.964 246 Q CA 0.905 56.365 55.803 -0.572 0.000 0.833 246 Q CB 0.034 28.129 28.738 -1.072 0.000 0.910 246 Q HN 0.736 nan 8.270 nan 0.000 0.465 247 F N 0.751 120.703 119.950 0.004 0.000 2.974 247 F HA 0.244 4.770 4.527 -0.000 0.000 0.292 247 F C -0.215 175.599 175.800 0.024 0.000 1.209 247 F CA -0.347 57.668 58.000 0.024 0.000 1.366 247 F CB 0.293 39.316 39.000 0.039 0.000 1.033 247 F HN -0.215 nan 8.300 nan 0.000 0.516 248 V N 1.919 121.873 119.914 0.067 0.000 2.547 248 V HA 0.372 4.491 4.120 -0.000 0.000 0.299 248 V C -0.426 175.691 176.094 0.040 0.000 1.040 248 V CA -0.923 61.410 62.300 0.056 0.000 0.913 248 V CB 2.215 34.049 31.823 0.019 0.000 0.992 248 V HN 0.134 nan 8.190 nan 0.000 0.449 249 L N 6.277 127.527 121.223 0.046 0.000 2.296 249 L HA 0.597 4.937 4.340 -0.000 0.000 0.286 249 L C -0.020 176.871 176.870 0.036 0.000 1.023 249 L CA 0.204 55.068 54.840 0.040 0.000 0.812 249 L CB 0.936 43.024 42.059 0.047 0.000 1.223 249 L HN 0.533 nan 8.230 nan 0.000 0.421 250 R N 2.911 123.433 120.500 0.037 0.000 2.787 250 R HA 0.583 4.923 4.340 -0.000 0.000 0.271 250 R C 0.675 177.011 176.300 0.060 0.000 0.993 250 R CA 0.027 56.153 56.100 0.043 0.000 0.993 250 R CB 1.919 32.238 30.300 0.032 0.000 1.155 250 R HN 0.851 nan 8.270 nan 0.000 0.486 251 A N 0.958 123.821 122.820 0.071 0.000 1.933 251 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 251 A C 1.927 179.565 177.584 0.091 0.000 1.175 251 A CA 2.185 54.276 52.037 0.089 0.000 0.628 251 A CB -0.500 18.553 19.000 0.089 0.000 0.814 251 A HN 0.811 nan 8.150 nan 0.000 0.444 252 S N 0.446 116.194 115.700 0.080 0.000 2.419 252 S HA -0.180 4.289 4.470 -0.000 0.000 0.233 252 S C 1.105 175.803 174.600 0.164 0.000 1.016 252 S CA 1.392 59.651 58.200 0.098 0.000 0.974 252 S CB -0.549 62.684 63.200 0.054 0.000 0.786 252 S HN 0.535 nan 8.310 nan 0.000 0.492 253 D N 1.861 122.327 120.400 0.110 0.000 2.310 253 D HA 0.040 4.680 4.640 -0.000 0.000 0.212 253 D C 1.208 177.509 176.300 0.002 0.000 0.965 253 D CA 0.643 54.697 54.000 0.089 0.000 0.879 253 D CB -0.309 40.510 40.800 0.031 0.000 0.921 253 D HN 0.478 nan 8.370 nan 0.000 0.510 254 L N 0.513 121.744 121.223 0.014 0.000 2.685 254 L HA 0.126 4.466 4.340 -0.000 0.000 0.233 254 L C 1.671 178.497 176.870 -0.074 0.000 1.173 254 L CA -0.147 54.641 54.840 -0.088 0.000 0.961 254 L CB -0.529 41.517 42.059 -0.022 0.000 1.217 254 L HN 0.107 nan 8.230 nan 0.000 0.478 255 H N -0.415 118.646 119.070 -0.015 0.000 2.387 255 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 255 H C 1.642 176.961 175.328 -0.015 0.000 1.090 255 H CA 1.625 57.672 56.048 -0.002 0.000 1.332 255 H CB -0.322 29.438 29.762 -0.004 0.000 1.386 255 H HN 0.390 nan 8.280 nan 0.000 0.516 256 N N 1.257 119.593 118.700 -0.607 0.000 2.251 256 N HA 0.199 4.939 4.740 -0.000 0.000 0.217 256 N C -0.005 175.349 175.510 -0.261 0.000 1.124 256 N CA 0.323 53.162 53.050 -0.352 0.000 0.843 256 N CB 0.097 38.322 38.487 -0.437 0.000 1.024 256 N HN 0.528 nan 8.380 nan 0.000 0.501 257 A N 1.144 123.809 122.820 -0.260 0.000 2.425 257 A HA 0.224 4.544 4.320 -0.000 0.000 0.242 257 A C 0.432 177.920 177.584 -0.160 0.000 1.077 257 A CA -0.302 51.564 52.037 -0.286 0.000 0.781 257 A CB 0.576 19.234 19.000 -0.570 0.000 1.020 257 A HN 0.279 nan 8.150 nan 0.000 0.494 258 K N 0.834 121.146 120.400 -0.146 0.000 2.168 258 K HA 0.354 4.674 4.320 -0.000 0.000 0.258 258 K C 1.296 177.913 176.600 0.029 0.000 1.010 258 K CA 0.243 56.488 56.287 -0.071 0.000 0.929 258 K CB 0.808 33.250 32.500 -0.097 0.000 0.998 258 K HN 0.712 nan 8.250 nan 0.000 0.479 259 A N 2.288 125.123 122.820 0.025 0.000 1.978 259 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 259 A C 1.609 179.197 177.584 0.007 0.000 1.170 259 A CA 1.880 53.939 52.037 0.037 0.000 0.636 259 A CB -0.585 18.406 19.000 -0.015 0.000 0.810 259 A HN 0.910 nan 8.150 nan 0.000 0.448 260 N N -1.138 117.543 118.700 -0.032 0.000 2.412 260 N HA 0.001 4.741 4.740 -0.000 0.000 0.184 260 N C 0.759 176.224 175.510 -0.075 0.000 1.101 260 N CA 0.062 53.062 53.050 -0.084 0.000 0.881 260 N CB -0.279 38.150 38.487 -0.096 0.000 0.969 260 N HN 0.385 nan 8.380 nan 0.000 0.459 261 M N 1.897 121.494 119.600 -0.006 0.000 2.252 261 M HA 0.065 4.545 4.480 -0.000 0.000 0.348 261 M C -0.733 175.602 176.300 0.058 0.000 1.334 261 M CA 0.576 55.862 55.300 -0.025 0.000 1.071 261 M CB 0.371 32.886 32.600 -0.142 0.000 1.763 261 M HN -0.087 nan 8.290 nan 0.000 0.452 262 K N 4.234 124.619 120.400 -0.025 0.000 2.316 262 K HA 0.534 4.854 4.320 -0.000 0.000 0.251 262 K C -1.398 175.249 176.600 0.079 0.000 0.934 262 K CA -0.694 55.588 56.287 -0.008 0.000 0.802 262 K CB 2.162 34.547 32.500 -0.192 0.000 1.171 262 K HN 0.530 nan 8.250 nan 0.000 0.426 263 V N 4.504 124.523 119.914 0.174 0.000 2.383 263 V HA 0.415 4.535 4.120 -0.000 0.000 0.275 263 V C 0.138 176.396 176.094 0.274 0.000 1.036 263 V CA -0.711 61.713 62.300 0.206 0.000 0.889 263 V CB 0.899 32.889 31.823 0.279 0.000 0.985 263 V HN 0.479 nan 8.190 nan 0.000 0.459 264 L N 4.624 125.934 121.223 0.144 0.000 2.333 264 L HA 0.729 5.069 4.340 -0.000 0.000 0.269 264 L C -0.634 176.114 176.870 -0.203 0.000 1.010 264 L CA -0.740 54.129 54.840 0.050 0.000 0.818 264 L CB 2.019 44.093 42.059 0.024 0.000 1.306 264 L HN 0.615 nan 8.230 nan 0.000 0.430 265 H N 3.003 121.888 119.070 -0.308 0.000 3.188 265 H HA 0.163 4.719 4.556 -0.000 0.000 0.325 265 H C -2.474 172.728 175.328 -0.211 0.000 1.033 265 H CA -1.063 54.757 56.048 -0.381 0.000 1.443 265 H CB 2.946 32.501 29.762 -0.345 0.000 1.968 265 H HN 0.264 nan 8.280 nan 0.000 0.449 266 P HA -0.037 nan 4.420 nan 0.000 0.225 266 P C 0.007 177.454 177.300 0.245 0.000 1.148 266 P CA 0.450 63.635 63.100 0.141 0.000 0.779 266 P CB 1.054 32.840 31.700 0.143 0.000 0.780 267 L N -3.356 118.179 121.223 0.520 0.000 0.584 267 L HA -0.117 4.223 4.340 -0.000 0.000 0.356 267 L C -2.451 174.525 176.870 0.177 0.000 0.992 267 L CA -0.875 54.072 54.840 0.179 0.000 1.223 267 L CB -1.795 40.319 42.059 0.091 0.000 0.009 267 L HN -0.006 nan 8.230 nan 0.000 0.091 268 P HA 0.357 nan 4.420 nan 0.000 0.279 268 P C -1.274 175.904 177.300 -0.204 0.000 1.239 268 P CA -0.525 62.559 63.100 -0.027 0.000 0.789 268 P CB 0.798 32.507 31.700 0.014 0.000 0.933 269 R N 1.338 121.559 120.500 -0.465 0.000 2.486 269 R HA 0.670 5.009 4.340 -0.000 0.000 0.286 269 R C -0.379 175.793 176.300 -0.214 0.000 0.999 269 R CA -0.577 55.158 56.100 -0.609 0.000 0.993 269 R CB 0.438 30.205 30.300 -0.888 0.000 1.084 269 R HN 0.233 nan 8.270 nan 0.000 0.487 270 V N -0.104 119.752 119.914 -0.097 0.000 3.602 270 V HA 0.066 4.186 4.120 -0.000 0.000 0.186 270 V C 0.146 176.251 176.094 0.018 0.000 1.444 270 V CA 0.417 62.704 62.300 -0.022 0.000 1.221 270 V CB 0.480 32.310 31.823 0.011 0.000 1.180 270 V HN 0.772 nan 8.190 nan 0.000 0.554 271 D N 0.052 120.491 120.400 0.065 0.000 2.417 271 D HA 0.057 4.697 4.640 -0.000 0.000 0.207 271 D C 1.913 178.265 176.300 0.087 0.000 1.075 271 D CA 0.507 54.569 54.000 0.103 0.000 0.851 271 D CB 0.454 41.382 40.800 0.213 0.000 0.976 271 D HN 0.598 nan 8.370 nan 0.000 0.505 272 E N 0.200 120.447 120.200 0.078 0.000 2.170 272 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 272 E C 0.666 177.284 176.600 0.031 0.000 0.981 272 E CA 0.501 56.954 56.400 0.089 0.000 0.830 272 E CB 0.843 30.645 29.700 0.170 0.000 0.775 272 E HN 0.250 nan 8.360 nan 0.000 0.470 273 I N 1.554 122.095 120.570 -0.049 0.000 2.447 273 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 273 I C -0.356 175.733 176.117 -0.046 0.000 1.023 273 I CA -1.122 60.132 61.300 -0.077 0.000 1.083 273 I CB 1.916 39.770 38.000 -0.245 0.000 1.245 273 I HN -0.058 nan 8.210 nan 0.000 0.434 274 A N 3.560 126.383 122.820 0.005 0.000 2.462 274 A HA 0.259 4.579 4.320 -0.000 0.000 0.243 274 A C 1.467 179.083 177.584 0.053 0.000 1.076 274 A CA 0.184 52.237 52.037 0.028 0.000 0.773 274 A CB 0.212 19.234 19.000 0.036 0.000 1.010 274 A HN 0.904 nan 8.150 nan 0.000 0.493 275 T N -0.722 113.869 114.554 0.062 0.000 2.946 275 T HA -0.171 4.179 4.350 -0.000 0.000 0.271 275 T C 0.878 175.642 174.700 0.106 0.000 1.104 275 T CA 1.532 63.690 62.100 0.097 0.000 1.114 275 T CB -0.461 68.459 68.868 0.085 0.000 0.867 275 T HN 0.776 nan 8.240 nan 0.000 0.513 276 D N 1.029 121.480 120.400 0.084 0.000 2.363 276 D HA -0.014 4.626 4.640 -0.000 0.000 0.220 276 D C 1.755 178.117 176.300 0.104 0.000 0.994 276 D CA 0.097 54.147 54.000 0.082 0.000 0.890 276 D CB -0.573 40.264 40.800 0.062 0.000 0.906 276 D HN 0.432 nan 8.370 nan 0.000 0.530 277 V N 1.001 120.993 119.914 0.130 0.000 2.591 277 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 277 V C 1.599 177.809 176.094 0.194 0.000 1.053 277 V CA 1.510 63.910 62.300 0.167 0.000 1.068 277 V CB -0.419 31.517 31.823 0.189 0.000 0.689 277 V HN 0.045 nan 8.190 nan 0.000 0.462 278 D N 0.773 121.305 120.400 0.220 0.000 2.190 278 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 278 D C 2.013 178.376 176.300 0.104 0.000 0.992 278 D CA 1.094 55.213 54.000 0.198 0.000 0.854 278 D CB -0.189 40.769 40.800 0.262 0.000 0.936 278 D HN 0.407 nan 8.370 nan 0.000 0.462 279 K N 0.556 121.013 120.400 0.094 0.000 2.365 279 K HA 0.027 4.347 4.320 -0.000 0.000 0.197 279 K C 1.113 177.740 176.600 0.046 0.000 1.042 279 K CA 0.177 56.501 56.287 0.061 0.000 0.987 279 K CB -0.781 31.752 32.500 0.054 0.000 0.779 279 K HN 0.319 nan 8.250 nan 0.000 0.484 280 T N 0.531 115.123 114.554 0.063 0.000 2.860 280 T HA 0.128 4.477 4.350 -0.000 0.000 0.299 280 T C -1.484 173.203 174.700 -0.022 0.000 1.045 280 T CA -1.282 60.840 62.100 0.036 0.000 1.071 280 T CB 1.185 70.121 68.868 0.113 0.000 0.985 280 T HN -0.111 nan 8.240 nan 0.000 0.537 281 P HA -0.053 nan 4.420 nan 0.000 0.229 281 P C 1.073 178.267 177.300 -0.177 0.000 1.160 281 P CA 0.924 63.923 63.100 -0.168 0.000 0.777 281 P CB -0.044 31.502 31.700 -0.257 0.000 0.814 282 H N 0.626 119.731 119.070 0.059 0.000 2.462 282 H HA 0.171 4.727 4.556 -0.000 0.000 0.292 282 H C 1.027 176.423 175.328 0.113 0.000 1.049 282 H CA 0.359 56.434 56.048 0.046 0.000 1.334 282 H CB -0.649 29.131 29.762 0.030 0.000 1.404 282 H HN 0.089 nan 8.280 nan 0.000 0.544 283 A N 1.117 124.042 122.820 0.174 0.000 2.537 283 A HA -0.061 4.259 4.320 -0.000 0.000 0.260 283 A C 0.303 177.827 177.584 -0.099 0.000 1.082 283 A CA 0.210 52.204 52.037 -0.072 0.000 0.765 283 A CB -0.526 18.369 19.000 -0.174 0.000 1.019 283 A HN 0.715 nan 8.150 nan 0.000 0.507 284 W N 3.962 124.951 121.300 -0.518 0.000 1.686 284 W HA 0.104 4.764 4.660 -0.000 0.000 0.263 284 W C -0.054 176.291 176.519 -0.290 0.000 0.860 284 W CA -0.084 57.065 57.345 -0.327 0.000 1.635 284 W CB 0.237 29.630 29.460 -0.111 0.000 0.998 284 W HN 1.059 nan 8.180 nan 0.000 0.464 285 Y N -1.860 118.342 120.300 -0.164 0.000 2.263 285 Y HA -0.051 4.499 4.550 -0.000 0.000 0.292 285 Y C 1.872 177.580 175.900 -0.320 0.000 1.130 285 Y CA 0.974 58.915 58.100 -0.265 0.000 1.179 285 Y CB -1.404 36.829 38.460 -0.379 0.000 0.998 285 Y HN -0.248 nan 8.280 nan 0.000 0.532 286 F N 0.993 120.847 119.950 -0.159 0.000 2.163 286 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 286 F C 2.297 177.960 175.800 -0.229 0.000 1.094 286 F CA 0.845 58.760 58.000 -0.141 0.000 1.290 286 F CB -1.110 37.785 39.000 -0.176 0.000 1.017 286 F HN 0.039 nan 8.300 nan 0.000 0.483 287 Q N 0.138 119.725 119.800 -0.355 0.000 2.135 287 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 287 Q C 2.258 178.150 176.000 -0.181 0.000 0.981 287 Q CA 1.785 57.276 55.803 -0.521 0.000 0.856 287 Q CB -0.590 27.186 28.738 -1.605 0.000 0.902 287 Q HN 0.536 nan 8.270 nan 0.000 0.425 288 Q N -0.212 119.540 119.800 -0.080 0.000 2.084 288 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 288 Q C 1.873 177.945 176.000 0.121 0.000 0.978 288 Q CA 1.508 57.390 55.803 0.131 0.000 0.844 288 Q CB -0.185 28.660 28.738 0.177 0.000 0.898 288 Q HN 0.408 nan 8.270 nan 0.000 0.426 289 A N 0.523 123.397 122.820 0.089 0.000 1.898 289 A HA -0.063 4.256 4.320 -0.000 0.000 0.216 289 A C 2.297 179.910 177.584 0.048 0.000 1.181 289 A CA 1.458 53.548 52.037 0.090 0.000 0.620 289 A CB -1.218 17.863 19.000 0.134 0.000 0.819 289 A HN 0.603 nan 8.150 nan 0.000 0.442 290 G N -0.305 108.521 108.800 0.043 0.000 2.448 290 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.219 290 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.219 290 G C 1.310 176.223 174.900 0.022 0.000 1.127 290 G CA 1.018 46.124 45.100 0.010 0.000 0.766 290 G HN 0.707 nan 8.290 nan 0.000 0.552 291 N N 0.300 119.109 118.700 0.182 0.000 2.512 291 N HA 0.010 4.749 4.740 -0.000 0.000 0.183 291 N C 2.231 177.835 175.510 0.157 0.000 1.073 291 N CA 0.271 53.559 53.050 0.397 0.000 0.911 291 N CB 0.012 38.861 38.487 0.603 0.000 0.964 291 N HN 0.326 nan 8.380 nan 0.000 0.447 292 G N 0.720 109.524 108.800 0.007 0.000 2.471 292 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 292 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 292 G C 1.413 176.171 174.900 -0.236 0.000 1.125 292 G CA 0.289 45.335 45.100 -0.090 0.000 0.775 292 G HN 0.222 nan 8.290 nan 0.000 0.548 293 I N -0.184 120.170 120.570 -0.362 0.000 2.286 293 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 293 I C 2.203 177.999 176.117 -0.535 0.000 1.104 293 I CA 0.740 61.742 61.300 -0.497 0.000 1.397 293 I CB -0.095 37.524 38.000 -0.635 0.000 1.072 293 I HN 0.094 nan 8.210 nan 0.000 0.417 294 F N 0.543 120.435 119.950 -0.096 0.000 2.163 294 F HA -0.048 4.479 4.527 -0.000 0.000 0.297 294 F C 2.566 178.175 175.800 -0.318 0.000 1.094 294 F CA 0.884 58.765 58.000 -0.198 0.000 1.290 294 F CB -1.376 37.483 39.000 -0.236 0.000 1.017 294 F HN -0.037 nan 8.300 nan 0.000 0.483 295 A N 0.546 123.231 122.820 -0.225 0.000 1.883 295 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 295 A C 2.320 179.816 177.584 -0.147 0.000 1.186 295 A CA 1.899 53.806 52.037 -0.216 0.000 0.624 295 A CB -0.744 18.189 19.000 -0.111 0.000 0.822 295 A HN 0.316 nan 8.150 nan 0.000 0.444 296 R N -0.905 119.477 120.500 -0.197 0.000 2.090 296 R HA -0.063 4.276 4.340 -0.000 0.000 0.228 296 R C 2.521 178.781 176.300 -0.067 0.000 1.110 296 R CA 1.365 57.342 56.100 -0.204 0.000 0.973 296 R CB -0.269 29.729 30.300 -0.504 0.000 0.869 296 R HN 0.680 nan 8.270 nan 0.000 0.440 297 Q N 0.005 119.763 119.800 -0.070 0.000 2.050 297 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 297 Q C 2.244 178.253 176.000 0.015 0.000 0.980 297 Q CA 1.662 57.463 55.803 -0.005 0.000 0.840 297 Q CB -0.173 28.573 28.738 0.015 0.000 0.898 297 Q HN 0.374 nan 8.270 nan 0.000 0.424 298 A N 0.855 123.669 122.820 -0.009 0.000 1.873 298 A HA -0.225 4.094 4.320 -0.000 0.000 0.218 298 A C 2.037 179.636 177.584 0.025 0.000 1.193 298 A CA 1.414 53.450 52.037 -0.002 0.000 0.629 298 A CB -0.831 18.140 19.000 -0.049 0.000 0.826 298 A HN 0.337 nan 8.150 nan 0.000 0.447 299 L N -0.365 120.875 121.223 0.027 0.000 2.012 299 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 299 L C 2.450 179.369 176.870 0.083 0.000 1.073 299 L CA 1.735 56.612 54.840 0.063 0.000 0.748 299 L CB -0.552 41.557 42.059 0.083 0.000 0.891 299 L HN 0.443 nan 8.230 nan 0.000 0.431 300 L N -1.426 119.852 121.223 0.091 0.000 2.056 300 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 300 L C 2.590 179.505 176.870 0.075 0.000 1.078 300 L CA 1.179 56.075 54.840 0.093 0.000 0.749 300 L CB -0.818 41.301 42.059 0.100 0.000 0.901 300 L HN 0.318 nan 8.230 nan 0.000 0.433 301 A N -0.100 122.759 122.820 0.065 0.000 1.930 301 A HA -0.137 4.182 4.320 -0.000 0.000 0.217 301 A C 2.250 179.882 177.584 0.080 0.000 1.175 301 A CA 1.275 53.350 52.037 0.064 0.000 0.627 301 A CB -0.625 18.404 19.000 0.049 0.000 0.815 301 A HN 0.344 nan 8.150 nan 0.000 0.443 302 L N -0.699 120.570 121.223 0.077 0.000 2.093 302 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 302 L C 2.409 179.360 176.870 0.134 0.000 1.085 302 L CA 0.878 55.774 54.840 0.093 0.000 0.755 302 L CB -0.301 41.803 42.059 0.074 0.000 0.904 302 L HN 0.248 nan 8.230 nan 0.000 0.435 303 V N -0.329 119.645 119.914 0.099 0.000 2.719 303 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 303 V C 1.951 178.091 176.094 0.077 0.000 1.065 303 V CA 1.208 63.541 62.300 0.055 0.000 1.086 303 V CB 0.024 31.854 31.823 0.011 0.000 0.700 303 V HN 0.361 nan 8.190 nan 0.000 0.467 304 L N -0.678 120.628 121.223 0.139 0.000 2.590 304 L HA 0.262 4.602 4.340 -0.000 0.000 0.227 304 L C -0.025 177.011 176.870 0.278 0.000 1.099 304 L CA 0.191 55.136 54.840 0.175 0.000 0.872 304 L CB -0.006 42.114 42.059 0.102 0.000 1.088 304 L HN 0.330 nan 8.230 nan 0.000 0.479 305 N N -0.603 118.243 118.700 0.244 0.000 2.314 305 N HA 0.307 5.046 4.740 -0.000 0.000 0.294 305 N C 0.459 175.919 175.510 -0.083 0.000 1.029 305 N CA -0.608 52.495 53.050 0.088 0.000 0.845 305 N CB 1.621 40.131 38.487 0.037 0.000 1.321 305 N HN -0.136 nan 8.380 nan 0.000 0.481 306 R N 0.609 120.834 120.500 -0.459 0.000 2.082 306 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 306 R C -0.465 175.671 176.300 -0.273 0.000 1.136 306 R CA 1.358 57.032 56.100 -0.709 0.000 0.935 306 R CB 0.017 29.948 30.300 -0.615 0.000 0.842 306 R HN 0.649 nan 8.270 nan 0.000 0.430 307 D N -0.469 119.835 120.400 -0.160 0.000 2.879 307 D HA 0.291 4.930 4.640 -0.000 0.000 0.236 307 D C -0.992 175.283 176.300 -0.042 0.000 1.171 307 D CA -0.382 53.570 54.000 -0.079 0.000 0.868 307 D CB 2.393 43.151 40.800 -0.071 0.000 1.598 307 D HN -0.039 nan 8.370 nan 0.000 0.497 308 L N 1.339 122.552 121.223 -0.017 0.000 2.296 308 L HA 0.408 4.748 4.340 -0.000 0.000 0.286 308 L C 0.232 177.101 176.870 -0.001 0.000 1.023 308 L CA -1.030 53.808 54.840 -0.003 0.000 0.812 308 L CB 2.166 44.231 42.059 0.011 0.000 1.223 308 L HN 0.075 nan 8.230 nan 0.000 0.421 309 V N 5.950 125.863 119.914 -0.002 0.000 2.218 309 V HA 0.361 4.480 4.120 -0.000 0.000 0.261 309 V C -0.244 175.853 176.094 0.005 0.000 1.142 309 V CA -0.264 62.036 62.300 0.000 0.000 0.965 309 V CB 0.231 32.052 31.823 -0.003 0.000 1.190 309 V HN 0.559 nan 8.190 nan 0.000 0.478 310 L N 0.000 121.228 121.223 0.009 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.847 54.840 0.012 0.000 0.813 310 L CB 0.000 42.069 42.059 0.016 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502