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 1q3g_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.320 55.300 0.034 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 D N 3.777 124.203 120.400 0.044 0.000 2.478 2 D HA 0.367 5.032 4.640 0.042 0.000 0.234 2 D C -0.343 175.966 176.300 0.014 0.000 1.154 2 D CA 0.925 54.948 54.000 0.038 0.000 0.874 2 D CB 0.712 41.529 40.800 0.029 0.000 1.198 2 D HN 0.528 nan 8.370 nan 0.000 0.455 3 K N 0.535 120.961 120.400 0.043 0.000 2.495 3 K HA 0.482 4.827 4.320 0.042 0.000 0.268 3 K C -0.915 175.820 176.600 0.225 0.000 1.008 3 K CA -0.780 55.535 56.287 0.046 0.000 0.882 3 K CB 1.949 34.489 32.500 0.065 0.000 1.443 3 K HN 0.293 nan 8.250 nan 0.000 0.447 4 F N 1.091 121.042 119.950 0.002 0.000 2.467 4 F HA 0.421 4.965 4.527 0.028 0.000 0.336 4 F C 0.145 175.942 175.800 -0.005 0.000 1.123 4 F CA -1.038 56.960 58.000 -0.004 0.000 0.964 4 F CB 2.026 41.016 39.000 -0.016 0.000 1.136 4 F HN 0.222 nan 8.300 nan 0.000 0.447 5 R N 3.727 124.309 120.500 0.137 0.000 2.246 5 R HA 0.565 4.931 4.340 0.042 0.000 0.332 5 R C -1.726 174.574 176.300 -0.000 0.000 0.974 5 R CA -0.379 55.755 56.100 0.057 0.000 0.837 5 R CB 1.251 31.573 30.300 0.038 0.000 1.145 5 R HN 0.457 nan 8.270 nan 0.000 0.467 6 V N 4.522 124.441 119.914 0.007 0.000 2.495 6 V HA 0.354 4.499 4.120 0.042 0.000 0.298 6 V C -0.485 175.600 176.094 -0.015 0.000 1.031 6 V CA -0.907 61.380 62.300 -0.021 0.000 0.871 6 V CB 1.845 33.661 31.823 -0.012 0.000 0.988 6 V HN 0.683 nan 8.190 nan 0.000 0.432 7 Q N 2.765 122.551 119.800 -0.024 0.000 2.322 7 Q HA 0.690 5.055 4.340 0.042 0.000 0.265 7 Q C 0.080 176.069 176.000 -0.018 0.000 0.985 7 Q CA -0.167 55.626 55.803 -0.017 0.000 0.849 7 Q CB 2.518 31.245 28.738 -0.018 0.000 1.274 7 Q HN 0.979 nan 8.270 nan 0.000 0.449 8 G N 2.453 111.245 108.800 -0.013 0.000 2.798 8 G HA2 0.727 4.712 3.960 0.042 0.000 0.286 8 G HA3 0.727 4.712 3.960 0.042 0.000 0.286 8 G C -2.842 172.052 174.900 -0.010 0.000 1.389 8 G CA -1.230 43.862 45.100 -0.013 0.000 0.894 8 G HN 0.310 nan 8.290 nan 0.000 0.488 9 P HA 0.374 nan 4.420 nan 0.000 0.281 9 P C -0.714 176.579 177.300 -0.010 0.000 1.249 9 P CA -0.080 63.014 63.100 -0.011 0.000 0.810 9 P CB 1.627 33.322 31.700 -0.009 0.000 1.008 10 T N -0.811 113.737 114.554 -0.011 0.000 2.971 10 T HA 0.416 4.791 4.350 0.042 0.000 0.304 10 T C -0.305 174.390 174.700 -0.008 0.000 1.038 10 T CA -1.033 61.061 62.100 -0.011 0.000 1.007 10 T CB 1.442 70.302 68.868 -0.014 0.000 1.055 10 T HN 0.448 nan 8.240 nan 0.000 0.451 11 R N 2.858 123.354 120.500 -0.006 0.000 2.491 11 R HA 0.503 4.868 4.340 0.042 0.000 0.283 11 R C -0.704 175.595 176.300 -0.002 0.000 1.072 11 R CA -0.556 55.541 56.100 -0.004 0.000 1.048 11 R CB 0.286 30.583 30.300 -0.004 0.000 0.983 11 R HN 0.713 nan 8.270 nan 0.000 0.450 12 L N 5.847 127.073 121.223 0.004 0.000 2.272 12 L HA 0.351 4.716 4.340 0.042 0.000 0.289 12 L C -0.232 176.646 176.870 0.013 0.000 1.032 12 L CA -0.366 54.484 54.840 0.017 0.000 0.810 12 L CB 1.264 43.346 42.059 0.039 0.000 1.205 12 L HN 0.791 nan 8.230 nan 0.000 0.422 13 Q N 2.868 122.671 119.800 0.004 0.000 2.575 13 Q HA 0.809 5.174 4.340 0.042 0.000 0.290 13 Q C -0.377 175.611 176.000 -0.019 0.000 0.963 13 Q CA -0.396 55.403 55.803 -0.006 0.000 0.783 13 Q CB 2.860 31.590 28.738 -0.013 0.000 1.467 13 Q HN 0.658 nan 8.270 nan 0.000 0.402 14 G N 0.792 109.575 108.800 -0.028 0.000 2.317 14 G HA2 -0.044 3.941 3.960 0.042 0.000 0.196 14 G HA3 -0.044 3.941 3.960 0.042 0.000 0.196 14 G C -1.400 173.467 174.900 -0.056 0.000 1.255 14 G CA -0.235 44.839 45.100 -0.043 0.000 1.243 14 G HN 0.707 nan 8.290 nan 0.000 0.535 15 E N -1.449 118.705 120.200 -0.076 0.000 2.369 15 E HA 0.655 5.030 4.350 0.042 0.000 0.270 15 E C -1.453 175.058 176.600 -0.149 0.000 0.909 15 E CA -0.703 55.641 56.400 -0.093 0.000 0.775 15 E CB 3.158 32.809 29.700 -0.082 0.000 1.270 15 E HN 0.980 nan 8.360 nan 0.000 0.445 16 V N 0.913 120.720 119.914 -0.178 0.000 3.048 16 V HA 0.438 4.583 4.120 0.042 0.000 0.303 16 V C -1.509 174.479 176.094 -0.177 0.000 1.214 16 V CA -0.264 61.865 62.300 -0.285 0.000 0.984 16 V CB 2.499 33.932 31.823 -0.650 0.000 1.054 16 V HN 0.708 nan 8.190 nan 0.000 0.430 17 T N 7.375 121.843 114.554 -0.143 0.000 2.758 17 T HA 0.535 4.910 4.350 0.042 0.000 0.285 17 T C -0.192 174.485 174.700 -0.037 0.000 0.981 17 T CA -0.271 61.793 62.100 -0.061 0.000 0.965 17 T CB 0.669 69.515 68.868 -0.038 0.000 0.927 17 T HN 0.483 nan 8.240 nan 0.000 0.448 18 I N 3.196 123.771 120.570 0.007 0.000 2.556 18 I HA 0.145 4.340 4.170 0.042 0.000 0.284 18 I C 1.186 177.327 176.117 0.040 0.000 1.114 18 I CA 0.124 61.456 61.300 0.054 0.000 1.418 18 I CB 0.352 38.396 38.000 0.074 0.000 1.394 18 I HN 0.567 nan 8.210 nan 0.000 0.552 19 S N 4.015 119.748 115.700 0.055 0.000 2.661 19 S HA 0.500 4.996 4.470 0.042 0.000 0.265 19 S C 0.645 175.251 174.600 0.010 0.000 1.225 19 S CA -0.554 57.664 58.200 0.030 0.000 0.986 19 S CB 1.129 64.354 63.200 0.042 0.000 1.008 19 S HN 0.847 nan 8.310 nan 0.000 0.565 20 G N 0.089 108.884 108.800 -0.008 0.000 2.544 20 G HA2 0.447 4.432 3.960 0.042 0.000 0.242 20 G HA3 0.447 4.432 3.960 0.042 0.000 0.242 20 G C -0.097 174.788 174.900 -0.024 0.000 1.247 20 G CA -0.358 44.729 45.100 -0.023 0.000 0.840 20 G HN 0.885 nan 8.290 nan 0.000 0.578 21 A N 1.351 124.156 122.820 -0.026 0.000 2.491 21 A HA 0.253 4.599 4.320 0.042 0.000 0.261 21 A C 1.642 179.209 177.584 -0.028 0.000 1.101 21 A CA 0.307 52.326 52.037 -0.030 0.000 0.772 21 A CB 0.266 19.250 19.000 -0.026 0.000 1.043 21 A HN 0.922 nan 8.150 nan 0.000 0.501 22 K N 2.562 122.941 120.400 -0.036 0.000 2.032 22 K HA -0.177 4.168 4.320 0.042 0.000 0.209 22 K C 0.499 177.117 176.600 0.030 0.000 1.048 22 K CA 1.959 58.237 56.287 -0.015 0.000 0.927 22 K CB -0.127 32.348 32.500 -0.042 0.000 0.712 22 K HN 0.710 nan 8.250 nan 0.000 0.441 23 N N 0.091 118.812 118.700 0.034 0.000 2.501 23 N HA 0.016 4.782 4.740 0.042 0.000 0.195 23 N C 0.523 176.060 175.510 0.045 0.000 1.213 23 N CA 0.727 53.834 53.050 0.093 0.000 0.864 23 N CB 0.841 39.386 38.487 0.097 0.000 0.999 23 N HN 0.377 nan 8.380 nan 0.000 0.454 24 A N -0.176 122.640 122.820 -0.006 0.000 1.997 24 A HA 0.459 4.804 4.320 0.042 0.000 0.198 24 A C 2.104 179.635 177.584 -0.089 0.000 1.449 24 A CA 0.653 52.659 52.037 -0.053 0.000 0.908 24 A CB -0.367 18.614 19.000 -0.030 0.000 0.984 24 A HN 0.177 nan 8.150 nan 0.000 0.487 25 A N 0.467 123.251 122.820 -0.060 0.000 1.877 25 A HA -0.032 4.314 4.320 0.042 0.000 0.216 25 A C 2.113 179.654 177.584 -0.073 0.000 1.186 25 A CA 1.550 53.533 52.037 -0.090 0.000 0.620 25 A CB -0.739 18.224 19.000 -0.062 0.000 0.822 25 A HN 0.438 nan 8.150 nan 0.000 0.443 26 L N -0.031 121.215 121.223 0.039 0.000 1.989 26 L HA -0.128 4.237 4.340 0.042 0.000 0.211 26 L C -0.165 176.819 176.870 0.190 0.000 1.071 26 L CA 1.920 56.883 54.840 0.204 0.000 0.749 26 L CB -1.454 40.864 42.059 0.430 0.000 0.890 26 L HN 0.320 nan 8.230 nan 0.000 0.431 27 P HA -0.164 nan 4.420 nan 0.000 0.219 27 P C 1.811 178.942 177.300 -0.283 0.000 1.150 27 P CA 1.594 64.334 63.100 -0.600 0.000 0.814 27 P CB 0.058 31.138 31.700 -1.033 0.000 0.787 28 I N -0.660 119.739 120.570 -0.284 0.000 2.353 28 I HA -0.178 4.017 4.170 0.042 0.000 0.248 28 I C 2.636 178.515 176.117 -0.397 0.000 1.119 28 I CA 0.984 62.009 61.300 -0.459 0.000 1.417 28 I CB -0.520 37.058 38.000 -0.704 0.000 1.078 28 I HN -0.146 nan 8.210 nan 0.000 0.421 29 L N -0.374 120.691 121.223 -0.262 0.000 2.083 29 L HA -0.216 4.149 4.340 0.042 0.000 0.209 29 L C 2.409 179.179 176.870 -0.168 0.000 1.083 29 L CA 1.592 56.288 54.840 -0.239 0.000 0.752 29 L CB -0.478 41.416 42.059 -0.275 0.000 0.899 29 L HN 0.150 nan 8.230 nan 0.000 0.433 30 F N -0.515 119.427 119.950 -0.013 0.000 2.259 30 F HA -0.097 4.456 4.527 0.044 0.000 0.298 30 F C 2.546 178.387 175.800 0.069 0.000 1.088 30 F CA 0.851 58.889 58.000 0.065 0.000 1.358 30 F CB -0.420 38.660 39.000 0.133 0.000 1.040 30 F HN -0.006 nan 8.300 nan 0.000 0.505 31 A N 0.105 123.045 122.820 0.199 0.000 2.019 31 A HA -0.080 4.265 4.320 0.042 0.000 0.219 31 A C 2.343 180.104 177.584 0.294 0.000 1.164 31 A CA 1.418 53.587 52.037 0.220 0.000 0.644 31 A CB -1.128 18.025 19.000 0.255 0.000 0.805 31 A HN 0.292 nan 8.150 nan 0.000 0.449 32 A N -0.236 122.760 122.820 0.294 0.000 2.076 32 A HA -0.039 4.306 4.320 0.042 0.000 0.220 32 A C 1.959 179.660 177.584 0.194 0.000 1.160 32 A CA 1.263 53.470 52.037 0.284 0.000 0.653 32 A CB -0.597 18.510 19.000 0.178 0.000 0.801 32 A HN 0.501 nan 8.150 nan 0.000 0.455 33 L N -0.813 120.528 121.223 0.197 0.000 2.349 33 L HA -0.151 4.214 4.340 0.042 0.000 0.220 33 L C 2.070 179.078 176.870 0.230 0.000 1.130 33 L CA 0.648 55.628 54.840 0.233 0.000 0.791 33 L CB -0.322 41.908 42.059 0.285 0.000 0.918 33 L HN 0.431 nan 8.230 nan 0.000 0.444 34 L N -0.667 120.650 121.223 0.156 0.000 2.341 34 L HA 0.103 4.468 4.340 0.042 0.000 0.214 34 L C 1.400 178.287 176.870 0.029 0.000 1.115 34 L CA -0.320 54.561 54.840 0.069 0.000 0.820 34 L CB -0.332 41.744 42.059 0.029 0.000 0.944 34 L HN 0.113 nan 8.230 nan 0.000 0.452 35 A N 0.492 123.346 122.820 0.058 0.000 2.454 35 A HA 0.087 4.432 4.320 0.042 0.000 0.260 35 A C 0.979 178.596 177.584 0.055 0.000 1.106 35 A CA -0.138 51.919 52.037 0.033 0.000 0.780 35 A CB 0.175 19.210 19.000 0.057 0.000 1.044 35 A HN 0.321 nan 8.150 nan 0.000 0.498 36 E N 1.460 121.675 120.200 0.025 0.000 2.400 36 E HA 0.003 4.378 4.350 0.042 0.000 0.195 36 E C 0.017 176.645 176.600 0.047 0.000 1.012 36 E CA 0.495 56.918 56.400 0.038 0.000 0.875 36 E CB 0.398 30.103 29.700 0.009 0.000 0.859 36 E HN 0.846 nan 8.360 nan 0.000 0.498 37 E N 0.768 120.992 120.200 0.041 0.000 2.299 37 E HA 0.307 4.682 4.350 0.042 0.000 0.260 37 E C -2.642 174.000 176.600 0.070 0.000 0.944 37 E CA -2.503 53.926 56.400 0.048 0.000 0.815 37 E CB 1.249 30.969 29.700 0.033 0.000 1.252 37 E HN -0.174 nan 8.360 nan 0.000 0.418 38 P HA -0.047 nan 4.420 nan 0.000 0.266 38 P C -1.131 176.245 177.300 0.126 0.000 1.186 38 P CA 0.310 63.478 63.100 0.114 0.000 0.767 38 P CB 0.437 32.207 31.700 0.117 0.000 0.820 39 V N 2.528 122.535 119.914 0.154 0.000 2.760 39 V HA 0.335 4.480 4.120 0.042 0.000 0.309 39 V C -0.338 175.826 176.094 0.116 0.000 1.077 39 V CA -0.465 61.929 62.300 0.158 0.000 0.910 39 V CB 2.139 34.083 31.823 0.202 0.000 1.008 39 V HN 0.501 nan 8.190 nan 0.000 0.424 40 E N 4.496 124.728 120.200 0.053 0.000 2.185 40 E HA 0.555 4.930 4.350 0.042 0.000 0.261 40 E C -1.544 174.948 176.600 -0.179 0.000 0.879 40 E CA -0.566 55.710 56.400 -0.207 0.000 0.756 40 E CB 1.581 31.159 29.700 -0.203 0.000 1.152 40 E HN 0.640 nan 8.360 nan 0.000 0.416 41 I N 4.574 124.968 120.570 -0.293 0.000 2.328 41 I HA 0.183 4.378 4.170 0.042 0.000 0.287 41 I C 0.223 176.167 176.117 -0.287 0.000 1.012 41 I CA -0.525 60.646 61.300 -0.216 0.000 1.195 41 I CB 1.412 39.264 38.000 -0.246 0.000 1.350 41 I HN 0.385 nan 8.210 nan 0.000 0.464 42 Q N 3.983 123.657 119.800 -0.210 0.000 2.221 42 Q HA 0.276 4.641 4.340 0.042 0.000 0.242 42 Q C 0.354 176.263 176.000 -0.152 0.000 0.940 42 Q CA -0.704 54.975 55.803 -0.208 0.000 0.896 42 Q CB 0.720 29.361 28.738 -0.163 0.000 1.226 42 Q HN 0.581 nan 8.270 nan 0.000 0.463 43 N N -0.574 118.050 118.700 -0.127 0.000 2.740 43 N HA -0.166 4.599 4.740 0.042 0.000 0.248 43 N C -1.679 173.782 175.510 -0.080 0.000 1.062 43 N CA 0.237 53.235 53.050 -0.086 0.000 0.704 43 N CB -0.915 37.526 38.487 -0.078 0.000 0.968 43 N HN 0.329 nan 8.380 nan 0.000 0.547 44 V N 1.762 121.618 119.914 -0.098 0.000 2.432 44 V HA 0.381 4.526 4.120 0.042 0.000 0.271 44 V C -1.383 174.682 176.094 -0.048 0.000 1.046 44 V CA -1.067 61.183 62.300 -0.084 0.000 0.945 44 V CB 1.147 32.902 31.823 -0.113 0.000 0.992 44 V HN 0.222 nan 8.190 nan 0.000 0.471 45 P HA 0.161 nan 4.420 nan 0.000 0.272 45 P C -0.781 176.520 177.300 0.002 0.000 1.223 45 P CA -0.466 62.630 63.100 -0.006 0.000 0.784 45 P CB 0.883 32.580 31.700 -0.005 0.000 0.923 46 K N 2.729 123.142 120.400 0.021 0.000 2.206 46 K HA 0.390 4.735 4.320 0.042 0.000 0.268 46 K C -0.167 176.457 176.600 0.040 0.000 1.111 46 K CA -0.196 56.108 56.287 0.029 0.000 0.955 46 K CB -0.071 32.451 32.500 0.038 0.000 1.406 46 K HN 0.427 nan 8.250 nan 0.000 0.427 47 L N 1.162 122.404 121.223 0.032 0.000 2.333 47 L HA 0.360 4.725 4.340 0.042 0.000 0.263 47 L C 1.377 178.270 176.870 0.037 0.000 1.014 47 L CA -1.074 53.790 54.840 0.041 0.000 0.820 47 L CB 1.320 43.397 42.059 0.030 0.000 1.352 47 L HN 0.291 nan 8.230 nan 0.000 0.421 48 K N 0.670 121.097 120.400 0.045 0.000 2.103 48 K HA -0.163 4.182 4.320 0.042 0.000 0.207 48 K C 1.044 177.664 176.600 0.032 0.000 1.048 48 K CA 1.690 57.999 56.287 0.037 0.000 0.930 48 K CB 0.097 32.624 32.500 0.044 0.000 0.716 48 K HN 0.611 nan 8.250 nan 0.000 0.444 49 D N 0.591 121.016 120.400 0.041 0.000 2.178 49 D HA -0.116 4.549 4.640 0.042 0.000 0.202 49 D C 1.837 178.164 176.300 0.045 0.000 0.974 49 D CA 0.533 54.563 54.000 0.051 0.000 0.841 49 D CB 0.057 40.897 40.800 0.067 0.000 0.953 49 D HN 0.157 nan 8.370 nan 0.000 0.478 50 I N 1.335 121.921 120.570 0.026 0.000 2.353 50 I HA -0.166 4.030 4.170 0.042 0.000 0.248 50 I C 1.649 177.760 176.117 -0.010 0.000 1.119 50 I CA 1.030 62.330 61.300 0.000 0.000 1.417 50 I CB -0.726 37.269 38.000 -0.008 0.000 1.078 50 I HN -0.056 nan 8.210 nan 0.000 0.421 51 D N 0.686 121.088 120.400 0.004 0.000 2.097 51 D HA -0.128 4.537 4.640 0.042 0.000 0.197 51 D C 2.143 178.441 176.300 -0.002 0.000 0.984 51 D CA 1.588 55.589 54.000 0.002 0.000 0.826 51 D CB -0.291 40.514 40.800 0.009 0.000 0.973 51 D HN 0.238 nan 8.370 nan 0.000 0.460 52 T N 0.444 115.003 114.554 0.009 0.000 2.788 52 T HA -0.107 4.269 4.350 0.042 0.000 0.268 52 T C 2.017 176.727 174.700 0.016 0.000 1.044 52 T CA 1.578 63.688 62.100 0.017 0.000 1.139 52 T CB -0.419 68.467 68.868 0.030 0.000 0.867 52 T HN 0.145 nan 8.240 nan 0.000 0.454 53 T N 2.117 116.670 114.554 -0.002 0.000 2.708 53 T HA 0.017 4.393 4.350 0.042 0.000 0.266 53 T C 2.057 176.668 174.700 -0.148 0.000 1.037 53 T CA 1.088 63.126 62.100 -0.104 0.000 1.146 53 T CB -0.338 68.412 68.868 -0.196 0.000 0.865 53 T HN 0.319 nan 8.240 nan 0.000 0.435 54 M N 0.687 120.231 119.600 -0.095 0.000 2.159 54 M HA -0.097 4.409 4.480 0.042 0.000 0.263 54 M C 2.391 178.666 176.300 -0.042 0.000 1.063 54 M CA 1.480 56.738 55.300 -0.071 0.000 1.110 54 M CB -0.314 32.264 32.600 -0.035 0.000 1.374 54 M HN 0.134 nan 8.290 nan 0.000 0.411 55 K N 1.037 121.423 120.400 -0.024 0.000 2.026 55 K HA -0.168 4.177 4.320 0.042 0.000 0.208 55 K C 1.905 178.502 176.600 -0.004 0.000 1.048 55 K CA 1.223 57.505 56.287 -0.009 0.000 0.929 55 K CB -0.194 32.305 32.500 -0.001 0.000 0.713 55 K HN 0.313 nan 8.250 nan 0.000 0.439 56 L N 1.081 122.307 121.223 0.006 0.000 2.017 56 L HA -0.174 4.191 4.340 0.042 0.000 0.208 56 L C 2.228 179.106 176.870 0.013 0.000 1.073 56 L CA 1.157 56.019 54.840 0.037 0.000 0.745 56 L CB -0.217 41.908 42.059 0.109 0.000 0.894 56 L HN 0.296 nan 8.230 nan 0.000 0.432 57 L N -0.683 120.517 121.223 -0.039 0.000 2.012 57 L HA -0.266 4.099 4.340 0.042 0.000 0.210 57 L C 2.536 179.390 176.870 -0.027 0.000 1.073 57 L CA 2.032 56.846 54.840 -0.044 0.000 0.748 57 L CB -1.008 40.994 42.059 -0.094 0.000 0.891 57 L HN 0.301 nan 8.230 nan 0.000 0.431 58 T N -0.542 113.997 114.554 -0.026 0.000 2.720 58 T HA -0.275 4.100 4.350 0.042 0.000 0.268 58 T C 1.678 176.360 174.700 -0.030 0.000 1.037 58 T CA 1.785 63.872 62.100 -0.021 0.000 1.144 58 T CB -0.283 68.576 68.868 -0.014 0.000 0.864 58 T HN 0.524 nan 8.240 nan 0.000 0.444 59 Q N 0.655 120.440 119.800 -0.025 0.000 2.515 59 Q HA 0.146 4.512 4.340 0.042 0.000 0.212 59 Q C 1.625 177.586 176.000 -0.065 0.000 0.970 59 Q CA 0.842 56.625 55.803 -0.034 0.000 0.941 59 Q CB -0.413 28.318 28.738 -0.012 0.000 0.998 59 Q HN 0.440 nan 8.270 nan 0.000 0.518 60 L N -0.394 120.785 121.223 -0.073 0.000 2.607 60 L HA 0.365 4.731 4.340 0.042 0.000 0.228 60 L C 0.820 177.576 176.870 -0.190 0.000 1.123 60 L CA 0.348 55.104 54.840 -0.140 0.000 0.890 60 L CB 0.321 42.332 42.059 -0.081 0.000 1.103 60 L HN 0.568 nan 8.230 nan 0.000 0.468 61 G N 0.393 109.122 108.800 -0.119 0.000 2.131 61 G HA2 -0.205 3.781 3.960 0.042 0.000 0.201 61 G HA3 -0.205 3.781 3.960 0.042 0.000 0.201 61 G C 0.117 174.985 174.900 -0.054 0.000 1.000 61 G CA -0.043 44.994 45.100 -0.104 0.000 0.680 61 G HN 0.206 nan 8.290 nan 0.000 0.514 62 T N 0.640 115.175 114.554 -0.031 0.000 2.907 62 T HA 0.543 4.918 4.350 0.042 0.000 0.284 62 T C 0.298 175.004 174.700 0.010 0.000 1.004 62 T CA -0.247 61.855 62.100 0.004 0.000 1.063 62 T CB 1.515 70.390 68.868 0.012 0.000 0.992 62 T HN 0.269 nan 8.240 nan 0.000 0.483 63 K N 2.216 122.634 120.400 0.029 0.000 2.264 63 K HA 0.566 4.911 4.320 0.042 0.000 0.277 63 K C -1.047 175.585 176.600 0.053 0.000 1.067 63 K CA -0.494 55.813 56.287 0.034 0.000 0.900 63 K CB 0.943 33.465 32.500 0.038 0.000 1.124 63 K HN 0.260 nan 8.250 nan 0.000 0.469 64 V N 3.053 122.995 119.914 0.046 0.000 2.656 64 V HA 0.431 4.576 4.120 0.042 0.000 0.307 64 V C -0.591 175.553 176.094 0.082 0.000 1.051 64 V CA -0.863 61.476 62.300 0.065 0.000 0.893 64 V CB 1.754 33.593 31.823 0.026 0.000 0.999 64 V HN 0.892 nan 8.190 nan 0.000 0.426 65 E N 4.011 124.299 120.200 0.146 0.000 2.363 65 E HA 0.758 5.133 4.350 0.042 0.000 0.281 65 E C -1.145 175.643 176.600 0.312 0.000 0.953 65 E CA -1.229 55.270 56.400 0.164 0.000 0.778 65 E CB 2.611 32.372 29.700 0.102 0.000 1.220 65 E HN 0.757 nan 8.360 nan 0.000 0.431 66 R N 0.705 121.359 120.500 0.257 0.000 2.885 66 R HA 0.486 4.851 4.340 0.042 0.000 0.260 66 R C -0.567 175.909 176.300 0.293 0.000 1.107 66 R CA -0.396 55.889 56.100 0.308 0.000 0.978 66 R CB 0.561 30.933 30.300 0.120 0.000 1.227 66 R HN 0.549 nan 8.270 nan 0.000 0.473 67 D N 0.107 120.670 120.400 0.272 0.000 2.256 67 D HA 0.080 4.746 4.640 0.042 0.000 0.279 67 D C 1.412 177.777 176.300 0.109 0.000 1.209 67 D CA 0.823 54.945 54.000 0.204 0.000 0.946 67 D CB -1.026 39.906 40.800 0.220 0.000 0.914 67 D HN 0.612 nan 8.370 nan 0.000 0.278 68 G N -1.050 107.795 108.800 0.074 0.000 2.744 68 G HA2 0.180 4.165 3.960 0.042 0.000 0.211 68 G HA3 0.180 4.165 3.960 0.042 0.000 0.211 68 G C 0.465 175.295 174.900 -0.116 0.000 1.146 68 G CA 0.201 45.295 45.100 -0.010 0.000 0.787 68 G HN 0.357 nan 8.290 nan 0.000 0.534 69 S N -1.177 114.372 115.700 -0.252 0.000 2.704 69 S HA 0.661 5.156 4.470 0.042 0.000 0.305 69 S C -0.869 173.374 174.600 -0.594 0.000 1.107 69 S CA -0.494 57.354 58.200 -0.586 0.000 0.993 69 S CB 2.446 64.982 63.200 -1.106 0.000 1.110 69 S HN -0.058 nan 8.310 nan 0.000 0.534 70 V N 1.886 121.455 119.914 -0.576 0.000 2.407 70 V HA 0.348 4.493 4.120 0.042 0.000 0.291 70 V C -1.071 174.825 176.094 -0.331 0.000 1.018 70 V CA -0.604 61.532 62.300 -0.273 0.000 0.842 70 V CB 1.106 32.835 31.823 -0.157 0.000 0.996 70 V HN 0.779 nan 8.190 nan 0.000 0.426 71 W N 5.581 126.882 121.300 0.001 0.000 2.361 71 W HA 0.564 5.242 4.660 0.030 0.000 0.309 71 W C -0.714 175.813 176.519 0.012 0.000 1.122 71 W CA -0.579 56.774 57.345 0.014 0.000 1.208 71 W CB 1.592 31.060 29.460 0.015 0.000 1.246 71 W HN 0.300 nan 8.180 nan 0.000 0.490 72 I N 3.191 123.870 120.570 0.183 0.000 2.474 72 I HA 0.154 4.349 4.170 0.042 0.000 0.294 72 I C -0.483 175.715 176.117 0.135 0.000 1.005 72 I CA -0.562 60.814 61.300 0.126 0.000 1.113 72 I CB 1.892 39.938 38.000 0.076 0.000 1.289 72 I HN 0.283 nan 8.210 nan 0.000 0.436 73 D N 5.035 125.500 120.400 0.109 0.000 2.375 73 D HA 0.494 5.160 4.640 0.042 0.000 0.259 73 D C 0.051 176.404 176.300 0.088 0.000 1.235 73 D CA -0.293 53.766 54.000 0.098 0.000 0.924 73 D CB 1.490 42.341 40.800 0.085 0.000 1.143 73 D HN 0.597 nan 8.370 nan 0.000 0.529 74 A N 2.335 125.218 122.820 0.105 0.000 2.462 74 A HA 0.153 4.499 4.320 0.042 0.000 0.261 74 A C 1.777 179.454 177.584 0.154 0.000 1.323 74 A CA 0.342 52.454 52.037 0.126 0.000 0.913 74 A CB -0.285 18.807 19.000 0.154 0.000 1.028 74 A HN 0.460 nan 8.150 nan 0.000 0.511 75 S N 0.106 115.877 115.700 0.119 0.000 2.419 75 S HA -0.119 4.376 4.470 0.042 0.000 0.235 75 S C 0.791 175.480 174.600 0.148 0.000 1.019 75 S CA 0.993 59.265 58.200 0.119 0.000 0.982 75 S CB -0.326 62.923 63.200 0.083 0.000 0.789 75 S HN 0.646 nan 8.310 nan 0.000 0.490 76 N N -0.026 118.746 118.700 0.120 0.000 2.238 76 N HA 0.466 5.231 4.740 0.042 0.000 0.302 76 N C -2.119 173.412 175.510 0.036 0.000 1.072 76 N CA -0.458 52.651 53.050 0.099 0.000 0.792 76 N CB 2.383 40.900 38.487 0.049 0.000 1.425 76 N HN 0.044 nan 8.380 nan 0.000 0.478 77 V N 4.478 124.364 119.914 -0.047 0.000 2.509 77 V HA 0.243 4.388 4.120 0.042 0.000 0.289 77 V C 0.591 176.399 176.094 -0.476 0.000 1.026 77 V CA -0.844 61.273 62.300 -0.304 0.000 0.872 77 V CB 1.358 32.846 31.823 -0.558 0.000 1.017 77 V HN 0.818 nan 8.190 nan 0.000 0.436 78 N N 2.507 120.956 118.700 -0.419 0.000 2.270 78 N HA 0.106 4.871 4.740 0.042 0.000 0.198 78 N C 0.040 175.198 175.510 -0.588 0.000 1.117 78 N CA -0.093 52.713 53.050 -0.407 0.000 0.845 78 N CB 0.798 39.163 38.487 -0.203 0.000 0.980 78 N HN 0.600 nan 8.380 nan 0.000 0.486 79 N N -0.174 118.015 118.700 -0.852 0.000 2.406 79 N HA 0.285 5.050 4.740 0.042 0.000 0.283 79 N C -1.820 173.179 175.510 -0.852 0.000 1.074 79 N CA -0.593 52.031 53.050 -0.710 0.000 0.916 79 N CB 0.909 39.204 38.487 -0.319 0.000 1.639 79 N HN -0.064 nan 8.380 nan 0.000 0.485 80 F N 0.726 120.624 119.950 -0.086 0.000 2.908 80 F HA 0.449 5.002 4.527 0.043 0.000 0.328 80 F C 0.615 176.420 175.800 0.008 0.000 1.211 80 F CA -0.489 57.477 58.000 -0.057 0.000 1.291 80 F CB 0.509 39.475 39.000 -0.058 0.000 0.962 80 F HN 0.276 nan 8.300 nan 0.000 0.505 81 S N 0.995 116.750 115.700 0.091 0.000 2.547 81 S HA 0.836 5.331 4.470 0.042 0.000 0.281 81 S C -0.751 173.931 174.600 0.137 0.000 1.118 81 S CA -0.478 57.792 58.200 0.118 0.000 0.947 81 S CB 1.219 64.450 63.200 0.051 0.000 1.053 81 S HN 0.206 nan 8.310 nan 0.000 0.482 82 A N 6.211 129.152 122.820 0.201 0.000 2.273 82 A HA 0.667 5.012 4.320 0.042 0.000 0.320 82 A C -2.560 175.181 177.584 0.262 0.000 1.358 82 A CA -1.764 50.386 52.037 0.188 0.000 0.910 82 A CB 0.180 19.274 19.000 0.156 0.000 1.159 82 A HN 0.650 nan 8.150 nan 0.000 0.526 83 P HA -0.084 nan 4.420 nan 0.000 0.268 83 P C 0.374 177.795 177.300 0.201 0.000 1.205 83 P CA 0.159 63.441 63.100 0.303 0.000 0.771 83 P CB 0.633 32.448 31.700 0.191 0.000 0.858 84 Y N 3.524 123.870 120.300 0.076 0.000 2.040 84 Y HA -0.334 4.242 4.550 0.044 0.000 0.275 84 Y C 1.974 177.861 175.900 -0.021 0.000 1.171 84 Y CA 2.567 60.625 58.100 -0.071 0.000 1.123 84 Y CB -1.190 37.234 38.460 -0.060 0.000 0.963 84 Y HN 0.329 nan 8.280 nan 0.000 0.493 85 D N -0.097 120.360 120.400 0.096 0.000 2.254 85 D HA -0.229 4.437 4.640 0.042 0.000 0.201 85 D C 2.124 178.374 176.300 -0.084 0.000 0.998 85 D CA 1.501 55.494 54.000 -0.012 0.000 0.885 85 D CB -0.276 40.571 40.800 0.079 0.000 0.915 85 D HN 0.484 nan 8.370 nan 0.000 0.460 86 L N -0.684 120.510 121.223 -0.048 0.000 2.269 86 L HA 0.022 4.387 4.340 0.042 0.000 0.200 86 L C 2.224 179.050 176.870 -0.074 0.000 1.069 86 L CA 0.317 55.135 54.840 -0.036 0.000 0.804 86 L CB -0.029 42.046 42.059 0.026 0.000 0.987 86 L HN 0.027 nan 8.230 nan 0.000 0.468 87 V N -0.705 119.150 119.914 -0.098 0.000 2.809 87 V HA -0.203 3.943 4.120 0.042 0.000 0.256 87 V C 2.244 178.213 176.094 -0.209 0.000 1.080 87 V CA 1.724 63.949 62.300 -0.125 0.000 1.102 87 V CB -0.847 30.904 31.823 -0.121 0.000 0.705 87 V HN 0.615 nan 8.190 nan 0.000 0.475 88 K N 1.707 121.901 120.400 -0.343 0.000 2.362 88 K HA -0.096 4.249 4.320 0.042 0.000 0.200 88 K C 1.737 178.201 176.600 -0.228 0.000 1.046 88 K CA 1.714 57.761 56.287 -0.401 0.000 0.952 88 K CB -0.683 31.395 32.500 -0.702 0.000 0.753 88 K HN 0.662 nan 8.250 nan 0.000 0.466 89 T N -2.236 112.218 114.554 -0.166 0.000 3.040 89 T HA 0.202 4.577 4.350 0.042 0.000 0.250 89 T C 0.558 175.219 174.700 -0.065 0.000 1.058 89 T CA -0.424 61.614 62.100 -0.104 0.000 0.988 89 T CB 0.060 68.876 68.868 -0.086 0.000 0.993 89 T HN 0.261 nan 8.240 nan 0.000 0.519 90 M N 2.101 121.658 119.600 -0.073 0.000 2.356 90 M HA 0.330 4.836 4.480 0.042 0.000 0.215 90 M C 0.440 176.685 176.300 -0.092 0.000 0.978 90 M CA -0.611 54.659 55.300 -0.049 0.000 0.972 90 M CB 1.262 33.870 32.600 0.015 0.000 2.529 90 M HN 0.151 nan 8.290 nan 0.000 0.447 91 R N 1.914 122.330 120.500 -0.140 0.000 2.193 91 R HA 0.040 4.405 4.340 0.042 0.000 0.229 91 R C 1.210 177.321 176.300 -0.314 0.000 1.110 91 R CA 1.529 57.503 56.100 -0.209 0.000 0.988 91 R CB -0.499 29.677 30.300 -0.207 0.000 0.871 91 R HN 0.630 nan 8.270 nan 0.000 0.458 92 A N 1.233 123.872 122.820 -0.302 0.000 2.178 92 A HA -0.059 4.286 4.320 0.042 0.000 0.218 92 A C 1.936 179.234 177.584 -0.475 0.000 1.157 92 A CA 1.279 53.021 52.037 -0.490 0.000 0.689 92 A CB -0.425 18.453 19.000 -0.203 0.000 0.787 92 A HN 0.412 nan 8.150 nan 0.000 0.465 93 S N -0.329 115.221 115.700 -0.251 0.000 2.442 93 S HA -0.153 4.342 4.470 0.042 0.000 0.236 93 S C 1.647 176.022 174.600 -0.374 0.000 1.007 93 S CA 1.148 59.232 58.200 -0.193 0.000 0.965 93 S CB -0.414 62.795 63.200 0.014 0.000 0.773 93 S HN 0.615 nan 8.310 nan 0.000 0.504 94 I N 0.943 121.267 120.570 -0.409 0.000 2.423 94 I HA -0.119 4.076 4.170 0.042 0.000 0.254 94 I C 1.352 177.313 176.117 -0.260 0.000 1.151 94 I CA 0.946 62.035 61.300 -0.352 0.000 1.421 94 I CB -0.364 37.331 38.000 -0.508 0.000 1.079 94 I HN 0.379 nan 8.210 nan 0.000 0.431 95 W N 0.482 121.470 121.300 -0.520 0.000 2.848 95 W HA 0.084 4.767 4.660 0.038 0.000 0.241 95 W C 2.274 178.589 176.519 -0.341 0.000 1.289 95 W CA 0.726 57.803 57.345 -0.447 0.000 1.396 95 W CB -1.146 27.968 29.460 -0.577 0.000 1.138 95 W HN 0.315 nan 8.180 nan 0.000 0.677 96 A N -0.495 122.259 122.820 -0.109 0.000 2.021 96 A HA -0.042 4.303 4.320 0.042 0.000 0.216 96 A C 1.938 179.643 177.584 0.202 0.000 1.163 96 A CA 0.607 52.775 52.037 0.218 0.000 0.676 96 A CB -0.571 18.625 19.000 0.326 0.000 0.818 96 A HN 0.118 nan 8.150 nan 0.000 0.453 97 L N 0.439 121.743 121.223 0.135 0.000 1.990 97 L HA -0.114 4.251 4.340 0.042 0.000 0.213 97 L C 2.424 179.387 176.870 0.155 0.000 1.072 97 L CA 2.411 57.335 54.840 0.140 0.000 0.755 97 L CB -1.057 41.063 42.059 0.101 0.000 0.889 97 L HN 0.327 nan 8.230 nan 0.000 0.432 98 G N -0.736 108.163 108.800 0.165 0.000 2.545 98 G HA2 -0.244 3.741 3.960 0.042 0.000 0.217 98 G HA3 -0.244 3.741 3.960 0.042 0.000 0.217 98 G C -0.618 174.366 174.900 0.140 0.000 1.218 98 G CA 1.050 46.238 45.100 0.147 0.000 0.787 98 G HN 0.386 nan 8.290 nan 0.000 0.571 99 P HA -0.032 nan 4.420 nan 0.000 0.215 99 P C 2.146 179.585 177.300 0.231 0.000 1.153 99 P CA 0.700 63.908 63.100 0.180 0.000 0.853 99 P CB -0.123 31.712 31.700 0.224 0.000 0.788 100 L N -0.960 120.438 121.223 0.291 0.000 2.012 100 L HA -0.163 4.202 4.340 0.042 0.000 0.210 100 L C 2.481 179.514 176.870 0.272 0.000 1.073 100 L CA 1.501 56.575 54.840 0.390 0.000 0.748 100 L CB -1.234 41.027 42.059 0.336 0.000 0.891 100 L HN -0.079 nan 8.230 nan 0.000 0.431 101 V N -0.209 119.798 119.914 0.154 0.000 2.515 101 V HA -0.195 3.950 4.120 0.042 0.000 0.250 101 V C 2.543 178.661 176.094 0.039 0.000 1.058 101 V CA 1.724 64.069 62.300 0.074 0.000 1.064 101 V CB 0.007 31.865 31.823 0.058 0.000 0.675 101 V HN 0.422 nan 8.190 nan 0.000 0.461 102 A N -0.057 122.790 122.820 0.045 0.000 1.930 102 A HA -0.164 4.182 4.320 0.042 0.000 0.217 102 A C 2.420 179.966 177.584 -0.063 0.000 1.175 102 A CA 1.859 53.895 52.037 -0.003 0.000 0.627 102 A CB -0.472 18.533 19.000 0.009 0.000 0.815 102 A HN 0.592 nan 8.150 nan 0.000 0.443 103 R N -2.371 118.073 120.500 -0.092 0.000 2.175 103 R HA 0.166 4.531 4.340 0.042 0.000 0.202 103 R C 0.552 176.521 176.300 -0.551 0.000 1.018 103 R CA 0.691 56.585 56.100 -0.344 0.000 1.029 103 R CB 0.043 30.055 30.300 -0.480 0.000 0.959 103 R HN 0.443 nan 8.270 nan 0.000 0.480 104 F N -0.544 119.372 119.950 -0.057 0.000 2.682 104 F HA 0.404 4.956 4.527 0.042 0.000 0.308 104 F C 1.297 176.948 175.800 -0.248 0.000 1.093 104 F CA 0.338 58.232 58.000 -0.176 0.000 1.244 104 F CB 1.401 40.198 39.000 -0.339 0.000 1.052 104 F HN 0.254 nan 8.300 nan 0.000 0.573 105 G N 1.086 109.862 108.800 -0.040 0.000 2.189 105 G HA2 -0.280 3.705 3.960 0.042 0.000 0.267 105 G HA3 -0.280 3.705 3.960 0.042 0.000 0.267 105 G C 0.105 174.960 174.900 -0.075 0.000 0.975 105 G CA 0.662 45.728 45.100 -0.057 0.000 0.644 105 G HN 0.532 nan 8.290 nan 0.000 0.537 106 Q N -1.867 117.865 119.800 -0.113 0.000 2.575 106 Q HA 0.675 5.041 4.340 0.042 0.000 0.290 106 Q C -0.419 175.551 176.000 -0.049 0.000 0.963 106 Q CA -0.522 55.215 55.803 -0.110 0.000 0.783 106 Q CB 1.741 30.363 28.738 -0.193 0.000 1.467 106 Q HN 1.715 nan 8.270 nan 0.000 0.402 107 G N 0.832 109.658 108.800 0.042 0.000 2.404 107 G HA2 0.422 4.407 3.960 0.042 0.000 0.298 107 G HA3 0.422 4.407 3.960 0.042 0.000 0.298 107 G C -2.217 172.763 174.900 0.134 0.000 1.577 107 G CA -0.350 44.834 45.100 0.139 0.000 0.847 107 G HN 0.862 nan 8.290 nan 0.000 0.598 108 Q N -0.662 119.238 119.800 0.167 0.000 2.320 108 Q HA 0.752 5.117 4.340 0.042 0.000 0.272 108 Q C -1.841 174.297 176.000 0.231 0.000 1.023 108 Q CA -1.090 54.821 55.803 0.179 0.000 0.855 108 Q CB 2.736 31.568 28.738 0.156 0.000 1.367 108 Q HN 0.699 nan 8.270 nan 0.000 0.406 109 V N 1.323 121.371 119.914 0.223 0.000 2.709 109 V HA 0.435 4.580 4.120 0.042 0.000 0.308 109 V C -0.259 175.883 176.094 0.081 0.000 1.062 109 V CA -0.833 61.569 62.300 0.170 0.000 0.901 109 V CB 1.952 33.811 31.823 0.059 0.000 1.003 109 V HN 0.910 nan 8.190 nan 0.000 0.425 110 S N 4.033 119.672 115.700 -0.102 0.000 2.537 110 S HA 0.222 4.717 4.470 0.042 0.000 0.286 110 S C -0.070 174.394 174.600 -0.226 0.000 1.299 110 S CA -0.367 57.526 58.200 -0.512 0.000 1.067 110 S CB 0.033 62.928 63.200 -0.508 0.000 0.864 110 S HN 0.657 nan 8.310 nan 0.000 0.494 111 L N 7.993 129.102 121.223 -0.190 0.000 2.530 111 L HA 0.239 4.604 4.340 0.042 0.000 0.273 111 L C -1.682 175.133 176.870 -0.093 0.000 1.141 111 L CA -1.499 53.277 54.840 -0.105 0.000 0.905 111 L CB 0.483 42.503 42.059 -0.064 0.000 1.202 111 L HN 0.600 nan 8.230 nan 0.000 0.473 112 P HA 0.087 nan 4.420 nan 0.000 0.268 112 P C 0.003 177.262 177.300 -0.068 0.000 1.205 112 P CA -0.201 62.833 63.100 -0.111 0.000 0.771 112 P CB 0.984 32.592 31.700 -0.153 0.000 0.858 113 G N 1.982 110.754 108.800 -0.046 0.000 2.504 113 G HA2 0.468 4.453 3.960 0.042 0.000 0.257 113 G HA3 0.468 4.453 3.960 0.042 0.000 0.257 113 G C 0.233 175.115 174.900 -0.031 0.000 1.451 113 G CA -0.403 44.686 45.100 -0.017 0.000 1.059 113 G HN 0.622 nan 8.290 nan 0.000 0.550 114 G N -2.072 106.718 108.800 -0.017 0.000 2.569 114 G HA2 0.404 4.389 3.960 0.042 0.000 0.249 114 G HA3 0.404 4.389 3.960 0.042 0.000 0.249 114 G C -0.359 174.523 174.900 -0.031 0.000 1.216 114 G CA 0.109 45.198 45.100 -0.019 0.000 0.845 114 G HN 0.703 nan 8.290 nan 0.000 0.568 115 C N 0.377 119.654 119.300 -0.037 0.000 2.630 115 C HA 0.715 5.200 4.460 0.042 0.000 0.346 115 C C 1.965 176.925 174.990 -0.051 0.000 1.245 115 C CA 0.251 59.235 59.018 -0.056 0.000 1.804 115 C CB 1.211 28.894 27.740 -0.094 0.000 2.279 115 C HN 1.033 nan 8.230 nan 0.000 0.498 116 A N 1.736 124.521 122.820 -0.059 0.000 1.877 116 A HA -0.090 4.256 4.320 0.042 0.000 0.216 116 A C 1.717 179.256 177.584 -0.074 0.000 1.186 116 A CA 2.158 54.162 52.037 -0.054 0.000 0.620 116 A CB -0.742 18.222 19.000 -0.060 0.000 0.822 116 A HN 1.098 nan 8.150 nan 0.000 0.443 117 I N -4.135 116.353 120.570 -0.136 0.000 3.564 117 I HA 0.456 4.651 4.170 0.042 0.000 0.294 117 I C 0.738 176.817 176.117 -0.064 0.000 1.289 117 I CA 0.464 61.672 61.300 -0.153 0.000 1.325 117 I CB -0.382 37.419 38.000 -0.333 0.000 1.039 117 I HN 0.306 nan 8.210 nan 0.000 0.474 118 G N -0.156 108.628 108.800 -0.027 0.000 2.340 118 G HA2 0.406 4.391 3.960 0.042 0.000 0.298 118 G HA3 0.406 4.391 3.960 0.042 0.000 0.298 118 G C 0.073 174.999 174.900 0.044 0.000 1.498 118 G CA -0.292 44.849 45.100 0.067 0.000 0.847 118 G HN 0.039 nan 8.290 nan 0.000 0.594 119 A N 0.054 122.902 122.820 0.047 0.000 1.972 119 A HA 0.190 4.535 4.320 0.042 0.000 0.219 119 A C 1.594 179.195 177.584 0.028 0.000 1.169 119 A CA 1.826 53.877 52.037 0.024 0.000 0.635 119 A CB -0.563 18.448 19.000 0.018 0.000 0.810 119 A HN 1.462 nan 8.150 nan 0.000 0.446 120 R N -1.128 119.416 120.500 0.074 0.000 3.127 120 R HA -0.125 4.240 4.340 0.042 0.000 0.247 120 R C -2.293 174.018 176.300 0.018 0.000 0.896 120 R CA 0.412 56.560 56.100 0.081 0.000 0.624 120 R CB -2.006 28.339 30.300 0.074 0.000 1.154 120 R HN 0.555 nan 8.270 nan 0.000 0.474 121 P HA 0.014 nan 4.420 nan 0.000 0.271 121 P C 0.208 177.512 177.300 0.007 0.000 1.244 121 P CA -0.213 62.888 63.100 0.001 0.000 0.793 121 P CB 0.972 32.677 31.700 0.008 0.000 0.984 122 V N 0.725 120.636 119.914 -0.004 0.000 3.159 122 V HA -0.012 4.133 4.120 0.042 0.000 0.333 122 V C 1.654 177.822 176.094 0.123 0.000 1.424 122 V CA 0.188 62.492 62.300 0.006 0.000 1.125 122 V CB -0.554 31.143 31.823 -0.211 0.000 1.075 122 V HN 0.617 nan 8.190 nan 0.000 0.482 123 D N 0.483 120.941 120.400 0.097 0.000 2.149 123 D HA -0.281 4.384 4.640 0.042 0.000 0.194 123 D C 1.779 178.181 176.300 0.169 0.000 1.001 123 D CA 1.647 55.711 54.000 0.107 0.000 0.849 123 D CB -0.162 40.670 40.800 0.053 0.000 0.939 123 D HN 0.509 nan 8.370 nan 0.000 0.449 124 L N -0.041 121.275 121.223 0.155 0.000 2.131 124 L HA -0.132 4.233 4.340 0.042 0.000 0.210 124 L C 2.842 179.839 176.870 0.213 0.000 1.092 124 L CA 0.962 55.896 54.840 0.156 0.000 0.759 124 L CB -0.669 41.416 42.059 0.044 0.000 0.903 124 L HN 0.145 nan 8.230 nan 0.000 0.435 125 H N 0.049 119.190 119.070 0.118 0.000 2.293 125 H HA -0.127 4.454 4.556 0.042 0.000 0.300 125 H C 2.462 177.855 175.328 0.108 0.000 1.082 125 H CA 1.840 57.954 56.048 0.109 0.000 1.308 125 H CB 0.062 29.863 29.762 0.065 0.000 1.375 125 H HN 0.319 nan 8.280 nan 0.000 0.495 126 I N 0.380 121.098 120.570 0.247 0.000 2.179 126 I HA -0.291 3.904 4.170 0.042 0.000 0.242 126 I C 2.570 178.774 176.117 0.144 0.000 1.088 126 I CA 1.156 62.552 61.300 0.159 0.000 1.357 126 I CB -0.389 37.689 38.000 0.129 0.000 1.051 126 I HN 0.083 nan 8.210 nan 0.000 0.409 127 F N 1.932 121.913 119.950 0.051 0.000 2.091 127 F HA -0.198 4.354 4.527 0.041 0.000 0.299 127 F C 2.269 178.084 175.800 0.025 0.000 1.103 127 F CA 1.839 59.856 58.000 0.029 0.000 1.228 127 F CB -0.845 38.166 39.000 0.019 0.000 0.984 127 F HN -0.003 nan 8.300 nan 0.000 0.477 128 G N 0.870 109.681 108.800 0.019 0.000 2.421 128 G HA2 -0.213 3.772 3.960 0.042 0.000 0.216 128 G HA3 -0.213 3.772 3.960 0.042 0.000 0.216 128 G C 1.772 176.598 174.900 -0.124 0.000 1.171 128 G CA 1.076 46.119 45.100 -0.096 0.000 0.775 128 G HN 0.451 nan 8.290 nan 0.000 0.543 129 L N 0.054 121.257 121.223 -0.033 0.000 2.083 129 L HA -0.062 4.303 4.340 0.042 0.000 0.209 129 L C 2.881 179.710 176.870 -0.068 0.000 1.083 129 L CA 1.202 56.029 54.840 -0.022 0.000 0.752 129 L CB -0.431 41.648 42.059 0.034 0.000 0.899 129 L HN 0.309 nan 8.230 nan 0.000 0.433 130 E N -0.065 120.074 120.200 -0.102 0.000 2.110 130 E HA -0.196 4.180 4.350 0.042 0.000 0.193 130 E C 2.109 178.603 176.600 -0.176 0.000 0.988 130 E CA 0.809 57.139 56.400 -0.117 0.000 0.804 130 E CB 0.102 29.738 29.700 -0.107 0.000 0.745 130 E HN 0.299 nan 8.360 nan 0.000 0.458 131 K N 0.400 120.618 120.400 -0.303 0.000 2.283 131 K HA -0.068 4.277 4.320 0.042 0.000 0.202 131 K C 1.859 178.368 176.600 -0.152 0.000 1.048 131 K CA 0.648 56.761 56.287 -0.290 0.000 0.948 131 K CB 0.014 32.242 32.500 -0.454 0.000 0.742 131 K HN 0.239 nan 8.250 nan 0.000 0.458 132 L N -0.401 120.752 121.223 -0.117 0.000 2.591 132 L HA 0.058 4.424 4.340 0.042 0.000 0.228 132 L C 1.177 178.015 176.870 -0.052 0.000 1.133 132 L CA 0.465 55.265 54.840 -0.067 0.000 0.880 132 L CB 0.015 42.046 42.059 -0.047 0.000 1.033 132 L HN 0.379 nan 8.230 nan 0.000 0.450 133 G N -0.498 108.266 108.800 -0.060 0.000 2.211 133 G HA2 -0.209 3.776 3.960 0.042 0.000 0.201 133 G HA3 -0.209 3.776 3.960 0.042 0.000 0.201 133 G C 0.402 175.283 174.900 -0.032 0.000 0.997 133 G CA -0.155 44.920 45.100 -0.043 0.000 0.652 133 G HN 0.414 nan 8.290 nan 0.000 0.500 134 A N 0.230 123.032 122.820 -0.030 0.000 2.407 134 A HA 0.620 4.965 4.320 0.042 0.000 0.248 134 A C 0.319 177.896 177.584 -0.012 0.000 1.082 134 A CA 0.739 52.767 52.037 -0.014 0.000 0.785 134 A CB 0.501 19.500 19.000 -0.001 0.000 1.020 134 A HN 0.602 nan 8.150 nan 0.000 0.489 135 E N 1.594 121.792 120.200 -0.003 0.000 2.133 135 E HA 0.562 4.937 4.350 0.042 0.000 0.274 135 E C -1.239 175.370 176.600 0.015 0.000 0.930 135 E CA -0.334 56.068 56.400 0.003 0.000 0.770 135 E CB 0.641 30.342 29.700 0.002 0.000 1.104 135 E HN 0.573 nan 8.360 nan 0.000 0.403 136 I N 4.814 125.396 120.570 0.021 0.000 2.509 136 I HA 0.376 4.572 4.170 0.042 0.000 0.293 136 I C -0.366 175.773 176.117 0.036 0.000 1.020 136 I CA -0.930 60.390 61.300 0.034 0.000 1.088 136 I CB 1.785 39.810 38.000 0.042 0.000 1.267 136 I HN 0.475 nan 8.210 nan 0.000 0.430 137 K N 5.906 126.332 120.400 0.042 0.000 2.443 137 K HA 0.625 4.971 4.320 0.042 0.000 0.251 137 K C -1.585 175.047 176.600 0.054 0.000 0.972 137 K CA -0.923 55.389 56.287 0.042 0.000 0.833 137 K CB 2.882 35.403 32.500 0.035 0.000 1.317 137 K HN 0.398 nan 8.250 nan 0.000 0.441 138 L N 3.170 124.423 121.223 0.049 0.000 2.324 138 L HA 0.346 4.711 4.340 0.042 0.000 0.274 138 L C -1.173 175.733 176.870 0.060 0.000 1.012 138 L CA -0.013 54.861 54.840 0.057 0.000 0.859 138 L CB 0.675 42.758 42.059 0.040 0.000 1.224 138 L HN 1.011 nan 8.230 nan 0.000 0.429 139 E N 4.182 124.433 120.200 0.086 0.000 2.224 139 E HA 0.329 4.704 4.350 0.042 0.000 0.265 139 E C -0.288 176.385 176.600 0.121 0.000 0.878 139 E CA -0.599 55.847 56.400 0.077 0.000 0.759 139 E CB 1.285 31.017 29.700 0.053 0.000 1.164 139 E HN 0.573 nan 8.360 nan 0.000 0.414 140 E N 2.001 122.255 120.200 0.089 0.000 2.476 140 E HA -0.320 4.055 4.350 0.042 0.000 0.251 140 E C 0.618 177.308 176.600 0.149 0.000 1.130 140 E CA 0.803 57.264 56.400 0.101 0.000 0.736 140 E CB -2.387 27.373 29.700 0.100 0.000 1.298 140 E HN 1.437 nan 8.360 nan 0.000 0.400 141 G N -1.045 107.799 108.800 0.074 0.000 2.176 141 G HA2 -0.349 3.636 3.960 0.042 0.000 0.253 141 G HA3 -0.349 3.636 3.960 0.042 0.000 0.253 141 G C -0.147 174.683 174.900 -0.117 0.000 0.979 141 G CA 0.525 45.604 45.100 -0.035 0.000 0.641 141 G HN 0.423 nan 8.290 nan 0.000 0.530 142 Y N -0.695 119.618 120.300 0.021 0.000 2.409 142 Y HA 0.556 5.131 4.550 0.041 0.000 0.339 142 Y C 0.512 176.429 175.900 0.027 0.000 1.033 142 Y CA -0.596 57.525 58.100 0.034 0.000 1.094 142 Y CB 2.166 40.648 38.460 0.037 0.000 1.210 142 Y HN 0.447 nan 8.280 nan 0.000 0.456 143 V N 4.049 124.052 119.914 0.148 0.000 2.334 143 V HA 0.447 4.592 4.120 0.042 0.000 0.267 143 V C -0.822 175.348 176.094 0.126 0.000 1.040 143 V CA -0.686 61.674 62.300 0.101 0.000 0.866 143 V CB 0.020 31.873 31.823 0.050 0.000 1.019 143 V HN 0.714 nan 8.190 nan 0.000 0.468 144 K N 5.975 126.441 120.400 0.109 0.000 2.240 144 K HA 0.795 5.140 4.320 0.042 0.000 0.271 144 K C -0.235 176.403 176.600 0.064 0.000 1.018 144 K CA -0.168 56.173 56.287 0.090 0.000 0.874 144 K CB 1.959 34.502 32.500 0.073 0.000 1.098 144 K HN 0.899 nan 8.250 nan 0.000 0.458 145 A N 1.874 124.731 122.820 0.061 0.000 2.355 145 A HA 0.747 5.092 4.320 0.042 0.000 0.324 145 A C -0.659 176.941 177.584 0.026 0.000 1.117 145 A CA -0.617 51.447 52.037 0.044 0.000 0.785 145 A CB 1.266 20.298 19.000 0.054 0.000 1.254 145 A HN 0.714 nan 8.150 nan 0.000 0.453 146 S N -0.342 115.366 115.700 0.012 0.000 2.596 146 S HA 0.777 5.272 4.470 0.042 0.000 0.270 146 S C -1.371 173.224 174.600 -0.009 0.000 1.155 146 S CA -0.457 57.740 58.200 -0.005 0.000 0.827 146 S CB 1.329 64.524 63.200 -0.008 0.000 1.130 146 S HN 2.158 nan 8.310 nan 0.000 0.467 147 V N 1.070 120.973 119.914 -0.018 0.000 2.852 147 V HA 0.546 4.691 4.120 0.042 0.000 0.300 147 V C -1.894 174.185 176.094 -0.024 0.000 1.205 147 V CA -0.643 61.645 62.300 -0.019 0.000 0.940 147 V CB 2.051 33.862 31.823 -0.020 0.000 1.047 147 V HN 1.017 nan 8.190 nan 0.000 0.429 148 N N 4.607 123.294 118.700 -0.021 0.000 2.401 148 N HA 0.669 5.434 4.740 0.042 0.000 0.255 148 N C 0.395 175.891 175.510 -0.023 0.000 1.110 148 N CA 1.552 54.589 53.050 -0.021 0.000 0.949 148 N CB 1.251 39.729 38.487 -0.016 0.000 1.110 148 N HN 1.407 nan 8.380 nan 0.000 0.490 149 G N 1.820 110.604 108.800 -0.027 0.000 2.568 149 G HA2 -0.237 3.748 3.960 0.042 0.000 0.222 149 G HA3 -0.237 3.748 3.960 0.042 0.000 0.222 149 G C -0.546 174.332 174.900 -0.036 0.000 1.321 149 G CA -0.750 44.332 45.100 -0.030 0.000 0.893 149 G HN 0.546 nan 8.290 nan 0.000 0.569 150 R N -0.645 119.833 120.500 -0.037 0.000 2.577 150 R HA 0.579 4.945 4.340 0.042 0.000 0.269 150 R C 0.598 176.878 176.300 -0.033 0.000 1.084 150 R CA -0.580 55.496 56.100 -0.040 0.000 1.163 150 R CB 0.359 30.634 30.300 -0.041 0.000 1.100 150 R HN 0.464 nan 8.270 nan 0.000 0.547 151 L N 1.392 122.596 121.223 -0.033 0.000 2.439 151 L HA 0.246 4.612 4.340 0.042 0.000 0.261 151 L C 0.015 176.867 176.870 -0.030 0.000 1.153 151 L CA -0.364 54.459 54.840 -0.029 0.000 0.808 151 L CB 0.380 42.423 42.059 -0.026 0.000 1.126 151 L HN 0.233 nan 8.230 nan 0.000 0.460 152 K N 0.733 121.116 120.400 -0.029 0.000 2.244 152 K HA 0.415 4.760 4.320 0.042 0.000 0.260 152 K C -0.014 176.570 176.600 -0.026 0.000 0.951 152 K CA -0.339 55.932 56.287 -0.027 0.000 0.826 152 K CB 1.751 34.236 32.500 -0.025 0.000 1.108 152 K HN 0.611 nan 8.250 nan 0.000 0.433 153 G N 1.149 109.934 108.800 -0.024 0.000 2.474 153 G HA2 0.405 4.390 3.960 0.042 0.000 0.233 153 G HA3 0.405 4.390 3.960 0.042 0.000 0.233 153 G C -0.634 174.258 174.900 -0.013 0.000 1.278 153 G CA 0.206 45.294 45.100 -0.020 0.000 0.861 153 G HN 0.637 nan 8.290 nan 0.000 0.567 154 A N 1.047 123.867 122.820 -0.001 0.000 2.609 154 A HA 0.657 5.002 4.320 0.042 0.000 0.291 154 A C -0.967 176.668 177.584 0.084 0.000 1.096 154 A CA -0.706 51.344 52.037 0.023 0.000 0.684 154 A CB 1.056 20.050 19.000 -0.009 0.000 1.282 154 A HN 0.956 nan 8.150 nan 0.000 0.412 155 H N 0.904 119.965 119.070 -0.014 0.000 2.690 155 H HA 0.609 5.190 4.556 0.042 0.000 0.289 155 H C -1.034 174.303 175.328 0.015 0.000 1.089 155 H CA -0.476 55.574 56.048 0.002 0.000 1.299 155 H CB 0.212 29.978 29.762 0.007 0.000 1.405 155 H HN 0.471 nan 8.280 nan 0.000 0.463 156 I N 6.234 126.902 120.570 0.163 0.000 2.362 156 I HA 0.166 4.361 4.170 0.042 0.000 0.289 156 I C -0.489 175.680 176.117 0.088 0.000 0.994 156 I CA -0.997 60.359 61.300 0.094 0.000 1.158 156 I CB 1.832 39.883 38.000 0.085 0.000 1.315 156 I HN 0.288 nan 8.210 nan 0.000 0.451 157 V N 6.676 126.631 119.914 0.068 0.000 2.333 157 V HA 0.320 4.466 4.120 0.042 0.000 0.274 157 V C 0.445 176.575 176.094 0.060 0.000 1.028 157 V CA -0.585 61.725 62.300 0.017 0.000 0.851 157 V CB 1.231 33.014 31.823 -0.066 0.000 1.000 157 V HN 0.621 nan 8.190 nan 0.000 0.456 158 M N 4.512 124.136 119.600 0.040 0.000 2.184 158 M HA 0.215 4.720 4.480 0.042 0.000 0.351 158 M C 0.179 176.434 176.300 -0.075 0.000 1.395 158 M CA -0.171 55.124 55.300 -0.007 0.000 1.117 158 M CB 0.427 33.035 32.600 0.013 0.000 1.708 158 M HN 0.778 nan 8.290 nan 0.000 0.468 159 D N 2.476 122.782 120.400 -0.158 0.000 3.134 159 D HA 0.362 5.027 4.640 0.042 0.000 0.248 159 D C -0.277 175.952 176.300 -0.119 0.000 1.273 159 D CA -0.281 53.635 54.000 -0.140 0.000 0.904 159 D CB 0.286 40.977 40.800 -0.181 0.000 1.089 159 D HN 0.536 nan 8.370 nan 0.000 0.478 160 K N -0.428 119.919 120.400 -0.089 0.000 2.841 160 K HA 0.117 4.462 4.320 0.042 0.000 0.298 160 K C -1.859 174.707 176.600 -0.056 0.000 1.137 160 K CA -0.643 55.598 56.287 -0.075 0.000 0.937 160 K CB 1.232 33.679 32.500 -0.087 0.000 1.377 160 K HN -0.045 nan 8.250 nan 0.000 0.390 161 V N 2.674 122.559 119.914 -0.048 0.000 2.408 161 V HA 0.376 4.521 4.120 0.042 0.000 0.267 161 V C -0.092 175.983 176.094 -0.032 0.000 1.047 161 V CA -0.110 62.172 62.300 -0.031 0.000 0.937 161 V CB 1.080 32.889 31.823 -0.023 0.000 0.999 161 V HN 0.610 nan 8.190 nan 0.000 0.472 162 S N 4.098 119.789 115.700 -0.015 0.000 2.647 162 S HA 0.422 4.918 4.470 0.042 0.000 0.300 162 S C 0.539 175.160 174.600 0.034 0.000 1.129 162 S CA -0.596 57.604 58.200 -0.000 0.000 1.029 162 S CB 1.897 65.088 63.200 -0.015 0.000 1.007 162 S HN 0.315 nan 8.310 nan 0.000 0.484 163 V N 5.441 125.403 119.914 0.081 0.000 2.270 163 V HA 0.002 4.147 4.120 0.042 0.000 0.245 163 V C 2.686 178.920 176.094 0.232 0.000 1.043 163 V CA 2.534 64.915 62.300 0.136 0.000 1.014 163 V CB -1.287 30.638 31.823 0.170 0.000 0.645 163 V HN 0.955 nan 8.190 nan 0.000 0.447 164 G N -0.298 108.688 108.800 0.310 0.000 2.459 164 G HA2 -0.250 3.736 3.960 0.042 0.000 0.217 164 G HA3 -0.250 3.736 3.960 0.042 0.000 0.217 164 G C 1.789 176.783 174.900 0.156 0.000 1.183 164 G CA 1.182 46.599 45.100 0.529 0.000 0.776 164 G HN 0.616 nan 8.290 nan 0.000 0.552 165 A N 0.052 122.627 122.820 -0.407 0.000 1.940 165 A HA -0.032 4.313 4.320 0.042 0.000 0.219 165 A C 2.524 180.006 177.584 -0.169 0.000 1.176 165 A CA 2.512 54.162 52.037 -0.644 0.000 0.631 165 A CB -0.969 17.802 19.000 -0.382 0.000 0.814 165 A HN 0.320 nan 8.150 nan 0.000 0.446 166 T N -0.410 114.117 114.554 -0.045 0.000 2.746 166 T HA -0.114 4.261 4.350 0.042 0.000 0.267 166 T C 1.873 176.574 174.700 0.000 0.000 1.039 166 T CA 1.554 63.652 62.100 -0.003 0.000 1.142 166 T CB -0.390 68.487 68.868 0.014 0.000 0.866 166 T HN 0.173 nan 8.240 nan 0.000 0.444 167 V N 1.392 121.321 119.914 0.025 0.000 2.295 167 V HA -0.192 3.954 4.120 0.042 0.000 0.246 167 V C 2.792 178.867 176.094 -0.032 0.000 1.049 167 V CA 2.015 64.273 62.300 -0.070 0.000 1.024 167 V CB -1.164 30.497 31.823 -0.270 0.000 0.648 167 V HN 0.504 nan 8.190 nan 0.000 0.447 168 T N 0.509 115.134 114.554 0.119 0.000 2.607 168 T HA -0.203 4.172 4.350 0.042 0.000 0.267 168 T C 1.795 176.541 174.700 0.078 0.000 1.049 168 T CA 2.206 64.414 62.100 0.179 0.000 1.162 168 T CB -0.340 68.709 68.868 0.301 0.000 0.863 168 T HN 0.347 nan 8.240 nan 0.000 0.424 169 I N 0.686 121.278 120.570 0.037 0.000 2.179 169 I HA -0.190 4.005 4.170 0.042 0.000 0.242 169 I C 2.618 178.741 176.117 0.009 0.000 1.088 169 I CA 1.395 62.708 61.300 0.022 0.000 1.357 169 I CB -0.419 37.591 38.000 0.017 0.000 1.051 169 I HN 0.265 nan 8.210 nan 0.000 0.409 170 M N 0.355 119.955 119.600 -0.002 0.000 2.117 170 M HA -0.215 4.291 4.480 0.042 0.000 0.262 170 M C 2.423 178.711 176.300 -0.019 0.000 1.065 170 M CA 1.875 57.166 55.300 -0.014 0.000 1.114 170 M CB -0.014 32.571 32.600 -0.025 0.000 1.361 170 M HN 0.120 nan 8.290 nan 0.000 0.408 171 S N 0.723 116.413 115.700 -0.017 0.000 2.356 171 S HA -0.060 4.435 4.470 0.042 0.000 0.223 171 S C 2.023 176.627 174.600 0.006 0.000 1.032 171 S CA 1.323 59.518 58.200 -0.009 0.000 1.005 171 S CB -0.525 62.675 63.200 -0.000 0.000 0.867 171 S HN 0.695 nan 8.310 nan 0.000 0.449 172 A N 1.456 124.289 122.820 0.021 0.000 1.933 172 A HA 0.142 4.487 4.320 0.042 0.000 0.218 172 A C 2.296 179.878 177.584 -0.004 0.000 1.175 172 A CA 1.603 53.652 52.037 0.020 0.000 0.628 172 A CB -0.954 18.066 19.000 0.033 0.000 0.814 172 A HN 0.511 nan 8.150 nan 0.000 0.444 173 A N -0.071 122.744 122.820 -0.009 0.000 2.070 173 A HA -0.072 4.273 4.320 0.042 0.000 0.220 173 A C 2.335 179.902 177.584 -0.029 0.000 1.159 173 A CA 2.241 54.267 52.037 -0.019 0.000 0.656 173 A CB -1.361 17.629 19.000 -0.016 0.000 0.800 173 A HN 0.798 nan 8.150 nan 0.000 0.453 174 T N -1.931 112.603 114.554 -0.033 0.000 2.849 174 T HA -0.044 4.332 4.350 0.042 0.000 0.270 174 T C 1.294 175.964 174.700 -0.050 0.000 1.066 174 T CA 1.476 63.548 62.100 -0.047 0.000 1.130 174 T CB -0.357 68.475 68.868 -0.060 0.000 0.864 174 T HN 0.327 nan 8.240 nan 0.000 0.481 175 L N 0.563 121.758 121.223 -0.046 0.000 2.769 175 L HA 0.543 4.908 4.340 0.042 0.000 0.240 175 L C 1.289 178.130 176.870 -0.048 0.000 1.163 175 L CA -0.590 54.217 54.840 -0.055 0.000 0.962 175 L CB -0.272 41.747 42.059 -0.067 0.000 1.258 175 L HN 0.302 nan 8.230 nan 0.000 0.513 176 A N 0.279 123.075 122.820 -0.040 0.000 2.287 176 A HA 0.238 4.583 4.320 0.042 0.000 0.273 176 A C 0.102 177.665 177.584 -0.035 0.000 1.091 176 A CA -0.238 51.777 52.037 -0.035 0.000 0.817 176 A CB 0.417 19.399 19.000 -0.030 0.000 1.069 176 A HN 0.256 nan 8.150 nan 0.000 0.492 177 E N -0.035 120.145 120.200 -0.033 0.000 2.044 177 E HA 0.466 4.841 4.350 0.042 0.000 0.282 177 E C 0.467 177.050 176.600 -0.028 0.000 1.031 177 E CA 0.742 57.124 56.400 -0.030 0.000 0.824 177 E CB 0.168 29.851 29.700 -0.028 0.000 1.076 177 E HN 1.324 nan 8.360 nan 0.000 0.395 178 G N 2.658 111.440 108.800 -0.029 0.000 2.396 178 G HA2 -0.170 3.816 3.960 0.042 0.000 0.254 178 G HA3 -0.170 3.816 3.960 0.042 0.000 0.254 178 G C -0.580 174.302 174.900 -0.030 0.000 1.248 178 G CA -0.610 44.473 45.100 -0.028 0.000 1.033 178 G HN 0.452 nan 8.290 nan 0.000 0.502 179 T N 1.063 115.598 114.554 -0.032 0.000 2.824 179 T HA 0.711 5.086 4.350 0.042 0.000 0.280 179 T C -0.053 174.627 174.700 -0.034 0.000 0.995 179 T CA 0.198 62.276 62.100 -0.036 0.000 1.009 179 T CB 1.562 70.403 68.868 -0.045 0.000 0.955 179 T HN 0.738 nan 8.240 nan 0.000 0.452 180 T N 3.448 117.985 114.554 -0.029 0.000 2.856 180 T HA 0.656 5.031 4.350 0.042 0.000 0.283 180 T C -0.410 174.282 174.700 -0.013 0.000 1.008 180 T CA -0.518 61.574 62.100 -0.013 0.000 0.997 180 T CB 0.721 69.585 68.868 -0.006 0.000 0.992 180 T HN 0.408 nan 8.240 nan 0.000 0.454 181 I N 3.294 123.873 120.570 0.015 0.000 2.447 181 I HA 0.436 4.632 4.170 0.042 0.000 0.287 181 I C -0.683 175.518 176.117 0.140 0.000 1.023 181 I CA -0.776 60.542 61.300 0.030 0.000 1.083 181 I CB 1.782 39.715 38.000 -0.112 0.000 1.245 181 I HN 0.465 nan 8.210 nan 0.000 0.434 182 I N 5.913 126.539 120.570 0.094 0.000 2.307 182 I HA 0.260 4.455 4.170 0.042 0.000 0.289 182 I C 0.082 176.258 176.117 0.098 0.000 1.021 182 I CA -0.590 60.767 61.300 0.096 0.000 1.224 182 I CB 0.834 38.867 38.000 0.056 0.000 1.376 182 I HN 0.436 nan 8.210 nan 0.000 0.470 183 E N 4.969 125.235 120.200 0.110 0.000 2.266 183 E HA 0.114 4.489 4.350 0.042 0.000 0.277 183 E C 0.177 176.802 176.600 0.042 0.000 1.018 183 E CA -0.328 56.121 56.400 0.080 0.000 0.840 183 E CB 1.047 30.780 29.700 0.055 0.000 1.082 183 E HN 0.559 nan 8.360 nan 0.000 0.395 184 N N 0.575 119.294 118.700 0.031 0.000 2.758 184 N HA -0.221 4.544 4.740 0.042 0.000 0.248 184 N C -1.128 174.392 175.510 0.017 0.000 1.076 184 N CA 0.795 53.854 53.050 0.014 0.000 0.696 184 N CB -0.849 37.637 38.487 -0.002 0.000 0.979 184 N HN 0.570 nan 8.380 nan 0.000 0.550 185 A N -0.078 122.758 122.820 0.026 0.000 2.366 185 A HA 0.699 5.045 4.320 0.042 0.000 0.249 185 A C 0.911 178.509 177.584 0.024 0.000 1.084 185 A CA 0.138 52.190 52.037 0.025 0.000 0.794 185 A CB 0.342 19.358 19.000 0.027 0.000 1.034 185 A HN 0.878 nan 8.150 nan 0.000 0.491 186 A N 0.801 123.636 122.820 0.025 0.000 2.440 186 A HA 0.472 4.817 4.320 0.042 0.000 0.251 186 A C 0.720 178.330 177.584 0.043 0.000 1.089 186 A CA -0.233 51.825 52.037 0.035 0.000 0.779 186 A CB 0.002 19.026 19.000 0.039 0.000 1.022 186 A HN 0.763 nan 8.150 nan 0.000 0.492 187 R N 0.682 121.223 120.500 0.068 0.000 2.393 187 R HA 0.176 4.541 4.340 0.042 0.000 0.244 187 R C -0.321 176.044 176.300 0.108 0.000 0.920 187 R CA -0.084 56.071 56.100 0.091 0.000 1.076 187 R CB 0.039 30.407 30.300 0.113 0.000 1.119 187 R HN 0.782 nan 8.270 nan 0.000 0.524 188 E N 0.937 121.163 120.200 0.042 0.000 2.467 188 E HA -0.047 4.328 4.350 0.042 0.000 0.264 188 E C -1.581 174.912 176.600 -0.178 0.000 1.020 188 E CA -1.034 55.287 56.400 -0.132 0.000 0.945 188 E CB 0.414 30.068 29.700 -0.077 0.000 0.942 188 E HN -0.077 nan 8.360 nan 0.000 0.449 189 P HA -0.164 nan 4.420 nan 0.000 0.218 189 P C 0.317 177.561 177.300 -0.094 0.000 1.148 189 P CA 1.197 64.184 63.100 -0.187 0.000 0.822 189 P CB 0.291 31.852 31.700 -0.231 0.000 0.784 190 E N -0.906 119.238 120.200 -0.094 0.000 2.153 190 E HA -0.131 4.244 4.350 0.042 0.000 0.194 190 E C 1.960 178.524 176.600 -0.059 0.000 0.988 190 E CA 0.821 57.186 56.400 -0.058 0.000 0.811 190 E CB -0.889 28.787 29.700 -0.040 0.000 0.746 190 E HN 0.194 nan 8.360 nan 0.000 0.466 191 I N 0.245 120.784 120.570 -0.051 0.000 2.179 191 I HA -0.206 3.989 4.170 0.042 0.000 0.242 191 I C 2.131 178.226 176.117 -0.036 0.000 1.088 191 I CA 0.944 62.217 61.300 -0.044 0.000 1.357 191 I CB -0.993 36.996 38.000 -0.019 0.000 1.051 191 I HN 0.023 nan 8.210 nan 0.000 0.409 192 V N 1.029 120.930 119.914 -0.021 0.000 2.287 192 V HA -0.301 3.844 4.120 0.042 0.000 0.248 192 V C 2.283 178.384 176.094 0.012 0.000 1.053 192 V CA 2.203 64.503 62.300 -0.001 0.000 1.027 192 V CB -0.708 31.122 31.823 0.010 0.000 0.646 192 V HN 0.312 nan 8.190 nan 0.000 0.447 193 D N -0.292 120.120 120.400 0.019 0.000 2.117 193 D HA -0.139 4.526 4.640 0.042 0.000 0.197 193 D C 2.270 178.540 176.300 -0.049 0.000 0.987 193 D CA 1.728 55.771 54.000 0.071 0.000 0.829 193 D CB -0.128 40.725 40.800 0.089 0.000 0.961 193 D HN 0.400 nan 8.370 nan 0.000 0.460 194 T N -0.377 114.130 114.554 -0.080 0.000 2.821 194 T HA -0.084 4.292 4.350 0.042 0.000 0.267 194 T C 1.906 176.565 174.700 -0.070 0.000 1.046 194 T CA 1.247 63.286 62.100 -0.102 0.000 1.139 194 T CB -0.362 68.420 68.868 -0.143 0.000 0.871 194 T HN 0.204 nan 8.240 nan 0.000 0.454 195 A N 2.644 125.425 122.820 -0.066 0.000 1.877 195 A HA -0.155 4.190 4.320 0.042 0.000 0.216 195 A C 2.226 179.760 177.584 -0.084 0.000 1.186 195 A CA 1.503 53.503 52.037 -0.062 0.000 0.620 195 A CB -0.629 18.349 19.000 -0.037 0.000 0.822 195 A HN 0.386 nan 8.150 nan 0.000 0.443 196 N N -1.022 117.635 118.700 -0.071 0.000 2.309 196 N HA -0.116 4.649 4.740 0.042 0.000 0.182 196 N C 1.336 176.701 175.510 -0.240 0.000 1.018 196 N CA 1.342 54.360 53.050 -0.053 0.000 0.876 196 N CB -0.570 37.997 38.487 0.133 0.000 0.972 196 N HN 0.570 nan 8.380 nan 0.000 0.434 197 F N 1.742 121.271 119.950 -0.701 0.000 2.084 197 F HA 0.005 4.560 4.527 0.046 0.000 0.296 197 F C 1.988 177.574 175.800 -0.356 0.000 1.111 197 F CA 0.944 58.421 58.000 -0.871 0.000 1.224 197 F CB -0.538 37.950 39.000 -0.853 0.000 0.991 197 F HN -0.109 nan 8.300 nan 0.000 0.471 198 L N -0.326 120.633 121.223 -0.439 0.000 2.042 198 L HA -0.244 4.121 4.340 0.042 0.000 0.210 198 L C 2.419 179.095 176.870 -0.324 0.000 1.076 198 L CA 1.222 55.812 54.840 -0.418 0.000 0.749 198 L CB -0.998 40.948 42.059 -0.189 0.000 0.893 198 L HN 0.037 nan 8.230 nan 0.000 0.432 199 V N 0.082 119.866 119.914 -0.217 0.000 2.407 199 V HA -0.299 3.846 4.120 0.042 0.000 0.248 199 V C 2.711 178.717 176.094 -0.146 0.000 1.055 199 V CA 1.768 63.984 62.300 -0.140 0.000 1.049 199 V CB -0.866 30.911 31.823 -0.077 0.000 0.662 199 V HN 0.502 nan 8.190 nan 0.000 0.455 200 A N -0.468 122.241 122.820 -0.185 0.000 2.015 200 A HA -0.066 4.279 4.320 0.042 0.000 0.219 200 A C 2.065 179.536 177.584 -0.187 0.000 1.163 200 A CA 1.313 53.275 52.037 -0.125 0.000 0.646 200 A CB -0.416 18.564 19.000 -0.033 0.000 0.806 200 A HN 0.537 nan 8.150 nan 0.000 0.448 201 L N -1.619 119.405 121.223 -0.332 0.000 2.599 201 L HA 0.172 4.537 4.340 0.042 0.000 0.230 201 L C 1.679 178.445 176.870 -0.173 0.000 1.141 201 L CA 0.638 55.307 54.840 -0.284 0.000 0.877 201 L CB -0.092 41.717 42.059 -0.417 0.000 1.009 201 L HN 0.596 nan 8.230 nan 0.000 0.447 202 G N -0.712 107.999 108.800 -0.148 0.000 2.211 202 G HA2 -0.182 3.803 3.960 0.042 0.000 0.201 202 G HA3 -0.182 3.803 3.960 0.042 0.000 0.201 202 G C 0.415 175.257 174.900 -0.096 0.000 0.997 202 G CA -0.170 44.870 45.100 -0.101 0.000 0.652 202 G HN 0.413 nan 8.290 nan 0.000 0.500 203 A N 0.160 122.907 122.820 -0.122 0.000 2.386 203 A HA 0.621 4.966 4.320 0.042 0.000 0.246 203 A C 0.449 177.987 177.584 -0.078 0.000 1.089 203 A CA 0.576 52.553 52.037 -0.101 0.000 0.790 203 A CB 0.292 19.221 19.000 -0.118 0.000 1.042 203 A HN 0.383 nan 8.150 nan 0.000 0.497 204 K N 1.071 121.434 120.400 -0.062 0.000 2.464 204 K HA 0.578 4.923 4.320 0.042 0.000 0.252 204 K C -1.407 175.166 176.600 -0.044 0.000 1.000 204 K CA 0.278 56.535 56.287 -0.049 0.000 0.951 204 K CB 1.020 33.495 32.500 -0.042 0.000 1.183 204 K HN 0.586 nan 8.250 nan 0.000 0.445 205 I N 1.295 121.839 120.570 -0.042 0.000 2.730 205 I HA 0.352 4.547 4.170 0.042 0.000 0.298 205 I C -0.365 175.737 176.117 -0.025 0.000 1.089 205 I CA -0.801 60.477 61.300 -0.035 0.000 1.041 205 I CB 2.364 40.339 38.000 -0.041 0.000 1.235 205 I HN 0.550 nan 8.210 nan 0.000 0.423 206 S N 1.971 117.659 115.700 -0.020 0.000 2.556 206 S HA 0.810 5.305 4.470 0.042 0.000 0.271 206 S C 0.139 174.734 174.600 -0.008 0.000 1.135 206 S CA 0.016 58.208 58.200 -0.013 0.000 0.858 206 S CB 2.019 65.210 63.200 -0.014 0.000 1.114 206 S HN 1.394 nan 8.310 nan 0.000 0.468 207 G N 0.853 109.652 108.800 -0.002 0.000 2.194 207 G HA2 -0.243 3.743 3.960 0.042 0.000 0.236 207 G HA3 -0.243 3.743 3.960 0.042 0.000 0.236 207 G C 0.140 175.045 174.900 0.007 0.000 0.987 207 G CA 0.095 45.197 45.100 0.003 0.000 0.635 207 G HN 1.339 nan 8.290 nan 0.000 0.520 208 Q N 0.487 120.289 119.800 0.004 0.000 2.283 208 Q HA 0.363 4.729 4.340 0.042 0.000 0.301 208 Q C 1.180 177.189 176.000 0.016 0.000 1.063 208 Q CA 1.239 57.045 55.803 0.006 0.000 0.952 208 Q CB 0.775 29.512 28.738 -0.001 0.000 1.166 208 Q HN 1.894 nan 8.270 nan 0.000 0.381 209 G N 2.184 110.998 108.800 0.024 0.000 2.213 209 G HA2 -0.282 3.703 3.960 0.042 0.000 0.226 209 G HA3 -0.282 3.703 3.960 0.042 0.000 0.226 209 G C 0.245 175.171 174.900 0.043 0.000 0.992 209 G CA 0.320 45.444 45.100 0.041 0.000 0.632 209 G HN 1.160 nan 8.290 nan 0.000 0.511 210 T N -1.695 112.877 114.554 0.030 0.000 2.919 210 T HA 0.565 4.940 4.350 0.042 0.000 0.282 210 T C 0.774 175.489 174.700 0.026 0.000 1.020 210 T CA 0.595 62.711 62.100 0.026 0.000 0.994 210 T CB 1.662 70.541 68.868 0.019 0.000 1.180 210 T HN 0.167 nan 8.240 nan 0.000 0.566 211 D N -1.066 119.349 120.400 0.023 0.000 2.349 211 D HA 0.089 4.754 4.640 0.042 0.000 0.224 211 D C 0.639 176.957 176.300 0.030 0.000 1.029 211 D CA -0.123 53.891 54.000 0.025 0.000 0.879 211 D CB -0.121 40.690 40.800 0.019 0.000 0.906 211 D HN 0.592 nan 8.370 nan 0.000 0.528 212 R N 0.781 121.298 120.500 0.029 0.000 2.473 212 R HA 0.457 4.822 4.340 0.042 0.000 0.303 212 R C -1.617 174.697 176.300 0.023 0.000 1.002 212 R CA -0.533 55.588 56.100 0.035 0.000 0.884 212 R CB 0.506 30.828 30.300 0.037 0.000 1.173 212 R HN 0.001 nan 8.270 nan 0.000 0.464 213 I N 3.695 124.279 120.570 0.024 0.000 2.377 213 I HA 0.335 4.530 4.170 0.042 0.000 0.293 213 I C -0.322 175.798 176.117 0.004 0.000 0.987 213 I CA -0.793 60.513 61.300 0.011 0.000 1.185 213 I CB 2.353 40.359 38.000 0.009 0.000 1.341 213 I HN 0.610 nan 8.210 nan 0.000 0.455 214 T N 7.108 121.656 114.554 -0.009 0.000 2.779 214 T HA 0.635 5.010 4.350 0.042 0.000 0.280 214 T C -0.396 174.290 174.700 -0.024 0.000 0.987 214 T CA -0.318 61.769 62.100 -0.022 0.000 0.966 214 T CB 1.065 69.914 68.868 -0.032 0.000 0.933 214 T HN 0.169 nan 8.240 nan 0.000 0.442 215 I N 2.461 123.016 120.570 -0.026 0.000 2.465 215 I HA 0.372 4.567 4.170 0.042 0.000 0.291 215 I C 0.158 176.255 176.117 -0.033 0.000 1.014 215 I CA -0.583 60.699 61.300 -0.030 0.000 1.093 215 I CB 1.973 39.957 38.000 -0.027 0.000 1.267 215 I HN 0.543 nan 8.210 nan 0.000 0.431 216 E N 4.680 124.858 120.200 -0.036 0.000 2.102 216 E HA 0.509 4.885 4.350 0.042 0.000 0.263 216 E C 0.116 176.693 176.600 -0.038 0.000 0.894 216 E CA -0.630 55.749 56.400 -0.036 0.000 0.746 216 E CB 1.129 30.808 29.700 -0.035 0.000 1.129 216 E HN 0.852 nan 8.360 nan 0.000 0.416 217 G N 2.329 111.106 108.800 -0.037 0.000 2.562 217 G HA2 0.252 4.237 3.960 0.042 0.000 0.233 217 G HA3 0.252 4.237 3.960 0.042 0.000 0.233 217 G C 0.083 174.958 174.900 -0.042 0.000 1.266 217 G CA 0.178 45.254 45.100 -0.040 0.000 0.852 217 G HN 0.442 nan 8.290 nan 0.000 0.581 218 V N -1.191 118.694 119.914 -0.047 0.000 3.102 218 V HA 0.556 4.701 4.120 0.042 0.000 0.312 218 V C 0.834 176.898 176.094 -0.051 0.000 1.135 218 V CA -0.765 61.507 62.300 -0.047 0.000 1.022 218 V CB 1.892 33.684 31.823 -0.052 0.000 1.056 218 V HN 0.781 nan 8.190 nan 0.000 0.436 219 E N 1.108 121.280 120.200 -0.048 0.000 2.077 219 E HA -0.042 4.333 4.350 0.042 0.000 0.193 219 E C 0.431 176.993 176.600 -0.063 0.000 0.989 219 E CA 1.786 58.155 56.400 -0.051 0.000 0.800 219 E CB 0.116 29.790 29.700 -0.043 0.000 0.746 219 E HN 0.771 nan 8.360 nan 0.000 0.452 220 R N -0.805 119.658 120.500 -0.061 0.000 2.734 220 R HA 0.536 4.901 4.340 0.042 0.000 0.271 220 R C -1.366 174.893 176.300 -0.068 0.000 1.021 220 R CA -0.746 55.312 56.100 -0.069 0.000 0.893 220 R CB 0.949 31.212 30.300 -0.061 0.000 1.244 220 R HN -0.152 nan 8.270 nan 0.000 0.464 221 L N 1.075 122.254 121.223 -0.073 0.000 2.334 221 L HA 0.603 4.968 4.340 0.042 0.000 0.276 221 L C 0.642 177.473 176.870 -0.066 0.000 1.014 221 L CA -0.659 54.130 54.840 -0.084 0.000 0.815 221 L CB 2.022 44.017 42.059 -0.107 0.000 1.268 221 L HN 1.004 nan 8.230 nan 0.000 0.428 222 G N 1.168 109.927 108.800 -0.069 0.000 3.311 222 G HA2 0.613 4.598 3.960 0.042 0.000 0.169 222 G HA3 0.613 4.598 3.960 0.042 0.000 0.169 222 G C 0.037 174.915 174.900 -0.035 0.000 1.852 222 G CA 0.407 45.482 45.100 -0.042 0.000 1.010 222 G HN 0.762 nan 8.290 nan 0.000 0.530 223 G N -3.109 105.677 108.800 -0.024 0.000 2.911 223 G HA2 0.709 4.694 3.960 0.042 0.000 0.299 223 G HA3 0.709 4.694 3.960 0.042 0.000 0.299 223 G C -0.369 174.534 174.900 0.005 0.000 1.283 223 G CA 0.154 45.256 45.100 0.004 0.000 0.805 223 G HN 1.829 nan 8.290 nan 0.000 0.548 224 G N -2.597 106.238 108.800 0.058 0.000 2.352 224 G HA2 0.507 4.492 3.960 0.042 0.000 0.283 224 G HA3 0.507 4.492 3.960 0.042 0.000 0.283 224 G C -2.008 172.968 174.900 0.127 0.000 1.308 224 G CA 0.192 45.337 45.100 0.075 0.000 0.892 224 G HN 1.428 nan 8.290 nan 0.000 0.504 225 V N 0.436 120.431 119.914 0.134 0.000 2.588 225 V HA 0.726 4.872 4.120 0.042 0.000 0.304 225 V C -1.292 174.925 176.094 0.204 0.000 1.042 225 V CA -0.573 61.806 62.300 0.133 0.000 0.877 225 V CB 1.553 33.420 31.823 0.074 0.000 0.996 225 V HN 0.940 nan 8.190 nan 0.000 0.425 226 Y N 4.187 124.529 120.300 0.071 0.000 2.421 226 Y HA 0.589 5.163 4.550 0.040 0.000 0.339 226 Y C -0.220 175.668 175.900 -0.020 0.000 0.996 226 Y CA -0.812 57.336 58.100 0.080 0.000 1.046 226 Y CB 1.681 40.302 38.460 0.269 0.000 1.226 226 Y HN 0.621 nan 8.280 nan 0.000 0.445 227 R N 5.447 125.620 120.500 -0.544 0.000 2.255 227 R HA 0.576 4.941 4.340 0.042 0.000 0.326 227 R C -1.359 174.732 176.300 -0.349 0.000 0.986 227 R CA -0.521 55.371 56.100 -0.347 0.000 0.847 227 R CB 0.826 30.958 30.300 -0.281 0.000 1.111 227 R HN 0.617 nan 8.270 nan 0.000 0.452 228 V N 6.423 126.271 119.914 -0.111 0.000 2.763 228 V HA -0.008 4.137 4.120 0.042 0.000 0.306 228 V C 1.031 177.096 176.094 -0.048 0.000 1.059 228 V CA -0.098 62.193 62.300 -0.015 0.000 1.138 228 V CB 0.574 32.378 31.823 -0.031 0.000 0.940 228 V HN 0.690 nan 8.190 nan 0.000 0.489 229 L N 4.813 126.033 121.223 -0.006 0.000 2.472 229 L HA 0.533 4.898 4.340 0.042 0.000 0.260 229 L C -2.385 174.472 176.870 -0.021 0.000 1.209 229 L CA -1.628 53.199 54.840 -0.021 0.000 0.817 229 L CB -0.078 41.980 42.059 -0.002 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.009 nan 4.420 nan 0.000 0.269 230 P C -1.160 176.136 177.300 -0.006 0.000 1.209 230 P CA 0.035 63.132 63.100 -0.005 0.000 0.776 230 P CB 0.343 32.046 31.700 0.005 0.000 0.876 231 D N 2.831 123.231 120.400 -0.001 0.000 2.344 231 D HA -0.005 4.660 4.640 0.042 0.000 0.253 231 D C 1.310 177.612 176.300 0.002 0.000 1.255 231 D CA -0.099 53.892 54.000 -0.014 0.000 0.894 231 D CB 0.538 41.321 40.800 -0.029 0.000 1.067 231 D HN 0.344 nan 8.370 nan 0.000 0.492 232 R N 3.737 124.230 120.500 -0.012 0.000 2.148 232 R HA -0.106 4.259 4.340 0.042 0.000 0.227 232 R C 1.358 177.662 176.300 0.006 0.000 1.103 232 R CA 0.532 56.632 56.100 -0.000 0.000 0.983 232 R CB -0.094 30.193 30.300 -0.022 0.000 0.874 232 R HN 0.342 nan 8.270 nan 0.000 0.451 233 I N 1.731 122.289 120.570 -0.020 0.000 2.406 233 I HA -0.111 4.084 4.170 0.042 0.000 0.249 233 I C 2.471 178.597 176.117 0.015 0.000 1.122 233 I CA 1.121 62.410 61.300 -0.019 0.000 1.431 233 I CB -1.118 36.846 38.000 -0.061 0.000 1.087 233 I HN 0.357 nan 8.210 nan 0.000 0.424 234 E N 0.951 121.150 120.200 -0.001 0.000 2.072 234 E HA -0.183 4.192 4.350 0.042 0.000 0.191 234 E C 2.026 178.772 176.600 0.244 0.000 0.985 234 E CA 1.884 58.350 56.400 0.110 0.000 0.801 234 E CB 0.197 29.975 29.700 0.130 0.000 0.750 234 E HN 0.381 nan 8.360 nan 0.000 0.452 235 T N -0.143 114.529 114.554 0.197 0.000 2.652 235 T HA -0.150 4.225 4.350 0.042 0.000 0.267 235 T C 1.767 176.583 174.700 0.194 0.000 1.039 235 T CA 1.345 63.576 62.100 0.218 0.000 1.153 235 T CB -0.734 68.212 68.868 0.131 0.000 0.863 235 T HN 0.403 nan 8.240 nan 0.000 0.428 236 G N 0.907 109.785 108.800 0.131 0.000 2.442 236 G HA2 -0.219 3.766 3.960 0.042 0.000 0.219 236 G HA3 -0.219 3.766 3.960 0.042 0.000 0.219 236 G C 1.709 176.678 174.900 0.114 0.000 1.141 236 G CA 1.455 46.635 45.100 0.133 0.000 0.763 236 G HN 0.462 nan 8.290 nan 0.000 0.554 237 T N 0.774 115.369 114.554 0.069 0.000 2.746 237 T HA -0.062 4.313 4.350 0.042 0.000 0.267 237 T C 2.034 176.648 174.700 -0.144 0.000 1.039 237 T CA 1.001 63.068 62.100 -0.055 0.000 1.142 237 T CB -0.324 68.495 68.868 -0.082 0.000 0.866 237 T HN 0.299 nan 8.240 nan 0.000 0.444 238 F N 0.724 120.726 119.950 0.086 0.000 2.259 238 F HA 0.137 4.685 4.527 0.035 0.000 0.298 238 F C 2.088 177.907 175.800 0.031 0.000 1.088 238 F CA 0.498 58.529 58.000 0.051 0.000 1.358 238 F CB -0.379 38.659 39.000 0.063 0.000 1.040 238 F HN 0.060 nan 8.300 nan 0.000 0.505 239 L N -0.818 120.527 121.223 0.204 0.000 2.083 239 L HA -0.197 4.168 4.340 0.042 0.000 0.209 239 L C 2.306 179.205 176.870 0.048 0.000 1.083 239 L CA 0.669 55.585 54.840 0.127 0.000 0.752 239 L CB -0.681 41.455 42.059 0.129 0.000 0.899 239 L HN -0.028 nan 8.230 nan 0.000 0.433 240 V N -0.059 119.853 119.914 -0.004 0.000 2.427 240 V HA -0.250 3.895 4.120 0.042 0.000 0.248 240 V C 2.731 178.777 176.094 -0.080 0.000 1.051 240 V CA 1.555 63.783 62.300 -0.119 0.000 1.048 240 V CB -0.668 31.036 31.823 -0.200 0.000 0.666 240 V HN 0.468 nan 8.190 nan 0.000 0.456 241 A N 0.172 122.974 122.820 -0.029 0.000 1.892 241 A HA -0.214 4.132 4.320 0.042 0.000 0.218 241 A C 2.419 180.009 177.584 0.011 0.000 1.188 241 A CA 2.420 54.453 52.037 -0.005 0.000 0.631 241 A CB -0.780 18.262 19.000 0.070 0.000 0.822 241 A HN 0.577 nan 8.150 nan 0.000 0.447 242 A N -0.418 122.423 122.820 0.034 0.000 1.872 242 A HA 0.247 4.592 4.320 0.042 0.000 0.214 242 A C 2.521 180.097 177.584 -0.013 0.000 1.187 242 A CA 1.914 53.960 52.037 0.016 0.000 0.614 242 A CB -1.092 17.925 19.000 0.027 0.000 0.826 242 A HN 1.145 nan 8.150 nan 0.000 0.442 243 A N 0.562 123.366 122.820 -0.026 0.000 1.978 243 A HA -0.119 4.226 4.320 0.042 0.000 0.220 243 A C 2.009 179.562 177.584 -0.051 0.000 1.170 243 A CA 1.625 53.636 52.037 -0.043 0.000 0.636 243 A CB -0.818 18.140 19.000 -0.070 0.000 0.810 243 A HN 1.027 nan 8.150 nan 0.000 0.448 244 I N -3.005 117.528 120.570 -0.061 0.000 3.728 244 I HA 0.128 4.323 4.170 0.042 0.000 0.307 244 I C 1.294 177.392 176.117 -0.033 0.000 1.276 244 I CA 1.068 62.335 61.300 -0.055 0.000 1.285 244 I CB 0.257 38.215 38.000 -0.072 0.000 1.038 244 I HN 0.230 nan 8.210 nan 0.000 0.445 245 S N -0.108 115.577 115.700 -0.024 0.000 2.663 245 S HA 0.443 4.938 4.470 0.042 0.000 0.243 245 S C 1.476 176.070 174.600 -0.010 0.000 1.009 245 S CA 0.140 58.331 58.200 -0.015 0.000 0.988 245 S CB 0.208 63.402 63.200 -0.010 0.000 0.896 245 S HN 0.709 nan 8.310 nan 0.000 0.502 246 G N 0.586 109.379 108.800 -0.011 0.000 2.180 246 G HA2 -0.193 3.792 3.960 0.042 0.000 0.263 246 G HA3 -0.193 3.792 3.960 0.042 0.000 0.263 246 G C 0.592 175.483 174.900 -0.015 0.000 0.989 246 G CA 0.210 45.306 45.100 -0.007 0.000 0.692 246 G HN 1.108 nan 8.290 nan 0.000 0.526 247 G N -0.983 107.806 108.800 -0.019 0.000 2.525 247 G HA2 0.598 4.583 3.960 0.042 0.000 0.287 247 G HA3 0.598 4.583 3.960 0.042 0.000 0.287 247 G C -0.163 174.711 174.900 -0.044 0.000 1.350 247 G CA 0.076 45.162 45.100 -0.023 0.000 1.039 247 G HN 0.564 nan 8.290 nan 0.000 0.513 248 K N -1.020 119.357 120.400 -0.039 0.000 2.422 248 K HA 0.667 5.012 4.320 0.042 0.000 0.251 248 K C -1.723 174.865 176.600 -0.019 0.000 0.933 248 K CA -0.728 55.530 56.287 -0.049 0.000 0.798 248 K CB 2.216 34.676 32.500 -0.066 0.000 1.238 248 K HN 0.441 nan 8.250 nan 0.000 0.428 249 I N 2.550 123.118 120.570 -0.002 0.000 2.918 249 I HA 0.393 4.589 4.170 0.042 0.000 0.301 249 I C -1.829 174.307 176.117 0.032 0.000 1.312 249 I CA -0.936 60.370 61.300 0.011 0.000 1.007 249 I CB 2.381 40.403 38.000 0.036 0.000 1.281 249 I HN 0.379 nan 8.210 nan 0.000 0.440 250 V N 5.280 125.203 119.914 0.015 0.000 2.483 250 V HA 0.355 4.500 4.120 0.042 0.000 0.297 250 V C -0.674 175.449 176.094 0.048 0.000 1.027 250 V CA -0.567 61.763 62.300 0.050 0.000 0.855 250 V CB 1.412 33.217 31.823 -0.031 0.000 0.995 250 V HN 0.774 nan 8.190 nan 0.000 0.424 251 C N 6.227 125.597 119.300 0.117 0.000 2.285 251 C HA 0.607 5.092 4.460 0.042 0.000 0.335 251 C C 0.572 175.643 174.990 0.135 0.000 1.267 251 C CA -1.037 58.034 59.018 0.089 0.000 1.762 251 C CB -0.079 27.731 27.740 0.117 0.000 2.365 251 C HN 0.732 nan 8.230 nan 0.000 0.527 252 R N 2.441 122.985 120.500 0.074 0.000 2.573 252 R HA 0.280 4.645 4.340 0.042 0.000 0.272 252 R C 0.290 176.635 176.300 0.075 0.000 1.009 252 R CA -0.384 55.773 56.100 0.094 0.000 1.059 252 R CB 0.288 30.607 30.300 0.033 0.000 1.112 252 R HN 0.782 nan 8.270 nan 0.000 0.517 253 N N -1.281 117.470 118.700 0.084 0.000 2.754 253 N HA -0.188 4.577 4.740 0.042 0.000 0.248 253 N C -1.087 174.451 175.510 0.047 0.000 1.093 253 N CA 1.170 54.251 53.050 0.051 0.000 0.699 253 N CB -0.938 37.565 38.487 0.027 0.000 1.016 253 N HN 0.752 nan 8.380 nan 0.000 0.552 254 A N -0.196 122.663 122.820 0.065 0.000 2.269 254 A HA 0.708 5.053 4.320 0.042 0.000 0.327 254 A C 0.214 177.803 177.584 0.008 0.000 1.112 254 A CA -0.369 51.695 52.037 0.045 0.000 0.865 254 A CB 1.098 20.138 19.000 0.065 0.000 1.227 254 A HN 0.217 nan 8.150 nan 0.000 0.498 255 Q N 0.566 120.364 119.800 -0.003 0.000 2.771 255 Q HA 0.305 4.670 4.340 0.042 0.000 0.247 255 Q C -2.256 173.728 176.000 -0.026 0.000 0.986 255 Q CA -1.782 54.008 55.803 -0.022 0.000 0.713 255 Q CB 1.213 29.942 28.738 -0.015 0.000 1.241 255 Q HN 0.442 nan 8.270 nan 0.000 0.488 256 P HA -0.248 nan 4.420 nan 0.000 0.218 256 P C 0.648 177.932 177.300 -0.027 0.000 1.154 256 P CA 1.807 64.872 63.100 -0.058 0.000 0.872 256 P CB 0.187 31.810 31.700 -0.128 0.000 0.790 257 D N -1.371 119.015 120.400 -0.023 0.000 2.351 257 D HA -0.125 4.540 4.640 0.042 0.000 0.216 257 D C 1.201 177.529 176.300 0.048 0.000 0.968 257 D CA 1.571 55.573 54.000 0.005 0.000 0.899 257 D CB -1.575 39.226 40.800 0.002 0.000 0.907 257 D HN 0.255 nan 8.370 nan 0.000 0.514 258 T N -2.620 111.960 114.554 0.043 0.000 3.107 258 T HA 0.209 4.585 4.350 0.042 0.000 0.249 258 T C 1.223 175.985 174.700 0.103 0.000 1.096 258 T CA -0.253 61.894 62.100 0.078 0.000 1.012 258 T CB -0.312 68.555 68.868 -0.002 0.000 0.977 258 T HN 0.204 nan 8.240 nan 0.000 0.527 259 L N 0.525 121.785 121.223 0.061 0.000 3.267 259 L HA 0.362 4.727 4.340 0.042 0.000 0.289 259 L C 0.858 177.745 176.870 0.028 0.000 1.260 259 L CA -0.321 54.543 54.840 0.040 0.000 1.034 259 L CB 0.517 42.595 42.059 0.033 0.000 1.413 259 L HN -0.008 nan 8.230 nan 0.000 0.594 260 D N 1.616 122.029 120.400 0.022 0.000 2.126 260 D HA -0.241 4.424 4.640 0.042 0.000 0.190 260 D C 2.148 178.456 176.300 0.012 0.000 1.001 260 D CA 1.845 55.850 54.000 0.007 0.000 0.841 260 D CB 0.188 40.980 40.800 -0.013 0.000 0.949 260 D HN 0.403 nan 8.370 nan 0.000 0.446 261 A N 0.754 123.571 122.820 -0.005 0.000 1.865 261 A HA -0.170 4.176 4.320 0.042 0.000 0.217 261 A C 2.640 180.258 177.584 0.057 0.000 1.191 261 A CA 1.736 53.785 52.037 0.021 0.000 0.623 261 A CB -0.900 18.103 19.000 0.005 0.000 0.826 261 A HN 0.162 nan 8.150 nan 0.000 0.444 262 V N 0.243 120.153 119.914 -0.006 0.000 2.295 262 V HA -0.265 3.880 4.120 0.042 0.000 0.246 262 V C 2.579 178.777 176.094 0.174 0.000 1.049 262 V CA 2.006 64.332 62.300 0.044 0.000 1.024 262 V CB -0.797 31.028 31.823 0.002 0.000 0.648 262 V HN 0.570 nan 8.190 nan 0.000 0.447 263 L N 0.006 121.299 121.223 0.116 0.000 2.083 263 L HA -0.152 4.213 4.340 0.042 0.000 0.209 263 L C 2.717 179.658 176.870 0.118 0.000 1.083 263 L CA 1.488 56.399 54.840 0.118 0.000 0.752 263 L CB -0.849 41.252 42.059 0.069 0.000 0.899 263 L HN 0.378 nan 8.230 nan 0.000 0.433 264 A N -0.069 122.809 122.820 0.096 0.000 1.898 264 A HA -0.210 4.135 4.320 0.042 0.000 0.216 264 A C 2.297 179.948 177.584 0.113 0.000 1.181 264 A CA 1.622 53.709 52.037 0.083 0.000 0.620 264 A CB -0.296 18.738 19.000 0.057 0.000 0.819 264 A HN 0.149 nan 8.150 nan 0.000 0.442 265 K N -0.166 120.326 120.400 0.153 0.000 2.097 265 K HA 0.117 4.462 4.320 0.042 0.000 0.205 265 K C 1.746 178.529 176.600 0.306 0.000 1.050 265 K CA 0.901 57.306 56.287 0.197 0.000 0.938 265 K CB -0.473 32.112 32.500 0.141 0.000 0.718 265 K HN 0.502 nan 8.250 nan 0.000 0.442 266 L N 0.041 121.469 121.223 0.341 0.000 2.093 266 L HA -0.151 4.214 4.340 0.042 0.000 0.208 266 L C 2.307 179.272 176.870 0.159 0.000 1.085 266 L CA 1.199 56.199 54.840 0.266 0.000 0.755 266 L CB -0.256 41.940 42.059 0.227 0.000 0.904 266 L HN 0.150 nan 8.230 nan 0.000 0.435 267 R N -0.020 120.561 120.500 0.135 0.000 2.092 267 R HA -0.162 4.203 4.340 0.042 0.000 0.231 267 R C 2.077 178.431 176.300 0.091 0.000 1.119 267 R CA 1.195 57.355 56.100 0.099 0.000 0.970 267 R CB -0.228 30.121 30.300 0.083 0.000 0.864 267 R HN 0.438 nan 8.270 nan 0.000 0.440 268 E N 0.316 120.575 120.200 0.099 0.000 2.204 268 E HA -0.133 4.242 4.350 0.042 0.000 0.195 268 E C 1.631 178.281 176.600 0.084 0.000 0.990 268 E CA 0.998 57.447 56.400 0.082 0.000 0.821 268 E CB 0.046 29.793 29.700 0.079 0.000 0.750 268 E HN 0.332 nan 8.360 nan 0.000 0.477 269 A N -0.280 122.604 122.820 0.106 0.000 2.208 269 A HA 0.214 4.559 4.320 0.042 0.000 0.209 269 A C 1.648 179.270 177.584 0.064 0.000 1.161 269 A CA 0.937 53.025 52.037 0.085 0.000 0.782 269 A CB 0.003 19.058 19.000 0.092 0.000 0.816 269 A HN 0.343 nan 8.150 nan 0.000 0.477 270 G N -2.419 106.424 108.800 0.071 0.000 2.168 270 G HA2 0.178 4.163 3.960 0.042 0.000 0.197 270 G HA3 0.178 4.163 3.960 0.042 0.000 0.197 270 G C 0.335 175.282 174.900 0.079 0.000 0.997 270 G CA 0.068 45.210 45.100 0.069 0.000 0.658 270 G HN 1.447 nan 8.290 nan 0.000 0.513 271 A N 0.161 123.026 122.820 0.074 0.000 2.388 271 A HA 0.568 4.913 4.320 0.042 0.000 0.257 271 A C 0.114 177.748 177.584 0.084 0.000 1.095 271 A CA 0.575 52.651 52.037 0.066 0.000 0.791 271 A CB 0.576 19.610 19.000 0.058 0.000 1.029 271 A HN 0.532 nan 8.150 nan 0.000 0.489 272 D N 1.974 122.421 120.400 0.079 0.000 2.428 272 D HA 0.453 5.119 4.640 0.042 0.000 0.221 272 D C -0.596 175.754 176.300 0.084 0.000 1.123 272 D CA 0.072 54.141 54.000 0.116 0.000 0.869 272 D CB -0.020 40.913 40.800 0.223 0.000 1.032 272 D HN 0.349 nan 8.370 nan 0.000 0.506 273 I N 3.020 123.644 120.570 0.090 0.000 2.441 273 I HA 0.367 4.562 4.170 0.042 0.000 0.295 273 I C 0.170 176.344 176.117 0.094 0.000 0.994 273 I CA -0.778 60.576 61.300 0.090 0.000 1.144 273 I CB 1.725 39.772 38.000 0.078 0.000 1.314 273 I HN 0.276 nan 8.210 nan 0.000 0.445 274 E N 3.628 123.904 120.200 0.126 0.000 2.317 274 E HA 0.583 4.958 4.350 0.042 0.000 0.270 274 E C -1.051 175.547 176.600 -0.003 0.000 0.885 274 E CA -0.855 55.621 56.400 0.127 0.000 0.760 274 E CB 2.625 32.491 29.700 0.276 0.000 1.227 274 E HN 0.654 nan 8.360 nan 0.000 0.434 275 T N -1.290 113.096 114.554 -0.280 0.000 2.906 275 T HA 0.806 5.181 4.350 0.042 0.000 0.295 275 T C 0.116 174.093 174.700 -1.205 0.000 1.075 275 T CA -0.740 60.928 62.100 -0.720 0.000 1.005 275 T CB 1.936 70.577 68.868 -0.379 0.000 1.136 275 T HN 0.524 nan 8.240 nan 0.000 0.498 276 G N 0.033 107.735 108.800 -1.830 0.000 3.251 276 G HA2 0.498 4.483 3.960 0.042 0.000 0.248 276 G HA3 0.498 4.483 3.960 0.042 0.000 0.248 276 G C 0.269 174.752 174.900 -0.695 0.000 1.320 276 G CA -0.470 43.789 45.100 -1.401 0.000 0.982 276 G HN 0.711 nan 8.290 nan 0.000 0.575 277 E N -0.343 119.658 120.200 -0.331 0.000 2.072 277 E HA -0.079 4.296 4.350 0.042 0.000 0.191 277 E C 0.901 177.422 176.600 -0.132 0.000 0.985 277 E CA 2.024 58.336 56.400 -0.146 0.000 0.801 277 E CB 0.156 29.846 29.700 -0.018 0.000 0.750 277 E HN 0.469 nan 8.360 nan 0.000 0.452 278 D N -1.165 119.180 120.400 -0.092 0.000 2.760 278 D HA 0.069 4.734 4.640 0.042 0.000 0.314 278 D C -0.522 175.845 176.300 0.112 0.000 1.464 278 D CA -0.571 53.433 54.000 0.006 0.000 0.797 278 D CB -0.881 39.963 40.800 0.074 0.000 1.149 278 D HN 0.302 nan 8.370 nan 0.000 0.455 279 W N -0.085 121.219 121.300 0.007 0.000 3.137 279 W HA 0.672 5.356 4.660 0.040 0.000 0.324 279 W C -2.101 174.427 176.519 0.015 0.000 1.253 279 W CA -1.287 56.063 57.345 0.007 0.000 1.183 279 W CB 0.475 29.936 29.460 0.001 0.000 1.424 279 W HN -0.290 nan 8.180 nan 0.000 0.566 280 I N 2.995 123.764 120.570 0.332 0.000 2.619 280 I HA 0.344 4.539 4.170 0.042 0.000 0.292 280 I C -0.177 176.171 176.117 0.384 0.000 1.100 280 I CA -0.746 60.681 61.300 0.212 0.000 1.043 280 I CB 2.599 40.652 38.000 0.088 0.000 1.239 280 I HN 0.456 nan 8.210 nan 0.000 0.420 281 S N 6.833 122.769 115.700 0.393 0.000 2.513 281 S HA 0.829 5.325 4.470 0.042 0.000 0.299 281 S C -1.044 173.652 174.600 0.160 0.000 1.087 281 S CA -0.735 57.629 58.200 0.274 0.000 1.012 281 S CB 2.264 65.643 63.200 0.297 0.000 1.044 281 S HN 0.640 nan 8.310 nan 0.000 0.485 282 L N 2.278 123.556 121.223 0.092 0.000 2.409 282 L HA 0.665 5.030 4.340 0.042 0.000 0.272 282 L C -1.903 174.953 176.870 -0.024 0.000 0.980 282 L CA -0.300 54.569 54.840 0.047 0.000 0.826 282 L CB 1.857 43.950 42.059 0.057 0.000 1.268 282 L HN 0.832 nan 8.230 nan 0.000 0.407 283 D N 4.881 125.221 120.400 -0.100 0.000 2.593 283 D HA 0.286 4.951 4.640 0.042 0.000 0.251 283 D C 0.251 176.343 176.300 -0.347 0.000 1.140 283 D CA -0.432 53.397 54.000 -0.286 0.000 0.855 283 D CB 1.922 42.429 40.800 -0.488 0.000 1.267 283 D HN 0.486 nan 8.370 nan 0.000 0.532 284 M N 1.609 121.070 119.600 -0.232 0.000 2.509 284 M HA 0.024 4.529 4.480 0.042 0.000 0.250 284 M C 0.138 176.422 176.300 -0.027 0.000 1.132 284 M CA 0.299 55.541 55.300 -0.097 0.000 1.080 284 M CB -0.645 31.934 32.600 -0.034 0.000 1.408 284 M HN 0.495 nan 8.290 nan 0.000 0.484 285 H N 0.022 119.104 119.070 0.021 0.000 2.770 285 H HA -0.155 4.427 4.556 0.043 0.000 0.309 285 H C 1.292 176.628 175.328 0.013 0.000 1.206 285 H CA 0.902 56.961 56.048 0.017 0.000 1.147 285 H CB -2.246 27.527 29.762 0.019 0.000 1.422 285 H HN 0.634 nan 8.280 nan 0.000 0.420 286 G N -0.244 108.597 108.800 0.067 0.000 2.166 286 G HA2 -0.362 3.623 3.960 0.042 0.000 0.260 286 G HA3 -0.362 3.623 3.960 0.042 0.000 0.260 286 G C 0.428 175.355 174.900 0.046 0.000 0.986 286 G CA 0.940 46.068 45.100 0.047 0.000 0.683 286 G HN 0.557 nan 8.290 nan 0.000 0.527 287 K N -0.026 120.409 120.400 0.057 0.000 2.185 287 K HA 0.419 4.764 4.320 0.042 0.000 0.271 287 K C 0.740 177.357 176.600 0.028 0.000 1.013 287 K CA -0.722 55.594 56.287 0.049 0.000 0.943 287 K CB 1.132 33.672 32.500 0.067 0.000 0.998 287 K HN 0.300 nan 8.250 nan 0.000 0.468 288 R N 3.084 123.599 120.500 0.024 0.000 2.441 288 R HA 0.176 4.542 4.340 0.042 0.000 0.284 288 R C -2.177 174.133 176.300 0.017 0.000 1.070 288 R CA -1.395 54.714 56.100 0.015 0.000 1.047 288 R CB 0.531 30.840 30.300 0.015 0.000 1.016 288 R HN 0.390 nan 8.270 nan 0.000 0.477 289 P HA 0.078 nan 4.420 nan 0.000 0.272 289 P C -1.265 176.047 177.300 0.019 0.000 1.223 289 P CA -0.146 62.960 63.100 0.010 0.000 0.784 289 P CB 0.771 32.463 31.700 -0.014 0.000 0.923 290 K N 1.164 121.582 120.400 0.030 0.000 2.172 290 K HA 0.470 4.816 4.320 0.042 0.000 0.276 290 K C 0.289 176.911 176.600 0.037 0.000 1.013 290 K CA -0.606 55.701 56.287 0.033 0.000 0.913 290 K CB 1.268 33.791 32.500 0.038 0.000 1.055 290 K HN 0.555 nan 8.250 nan 0.000 0.461 291 A N 2.286 125.125 122.820 0.031 0.000 2.531 291 A HA 0.265 4.610 4.320 0.042 0.000 0.236 291 A C 0.355 177.961 177.584 0.037 0.000 1.062 291 A CA -0.234 51.820 52.037 0.029 0.000 0.760 291 A CB -0.062 18.948 19.000 0.018 0.000 0.995 291 A HN 0.548 nan 8.150 nan 0.000 0.501 292 V N -0.349 119.592 119.914 0.046 0.000 3.102 292 V HA 0.869 5.015 4.120 0.042 0.000 0.312 292 V C -0.109 175.983 176.094 -0.003 0.000 1.135 292 V CA -0.601 61.724 62.300 0.042 0.000 1.022 292 V CB 1.770 33.652 31.823 0.099 0.000 1.056 292 V HN 0.775 nan 8.190 nan 0.000 0.436 293 T N 2.027 116.560 114.554 -0.035 0.000 2.771 293 T HA 0.730 5.105 4.350 0.042 0.000 0.281 293 T C -0.565 174.044 174.700 -0.150 0.000 0.982 293 T CA -0.269 61.786 62.100 -0.074 0.000 0.978 293 T CB 1.318 70.155 68.868 -0.052 0.000 0.930 293 T HN 0.749 nan 8.240 nan 0.000 0.447 294 V N 3.624 123.407 119.914 -0.219 0.000 2.823 294 V HA 0.648 4.793 4.120 0.042 0.000 0.312 294 V C -0.210 175.723 176.094 -0.270 0.000 1.072 294 V CA -1.036 61.020 62.300 -0.406 0.000 0.937 294 V CB 2.251 33.586 31.823 -0.813 0.000 1.013 294 V HN 0.746 nan 8.190 nan 0.000 0.430 295 R N 2.230 122.588 120.500 -0.237 0.000 2.521 295 R HA 0.441 4.806 4.340 0.042 0.000 0.295 295 R C -0.058 176.233 176.300 -0.014 0.000 1.183 295 R CA -0.281 55.766 56.100 -0.089 0.000 0.957 295 R CB 1.334 31.604 30.300 -0.050 0.000 1.171 295 R HN 0.958 nan 8.270 nan 0.000 0.494 296 T N 0.835 115.420 114.554 0.052 0.000 2.903 296 T HA 0.602 4.977 4.350 0.042 0.000 0.314 296 T C 0.249 175.000 174.700 0.085 0.000 1.078 296 T CA -0.022 62.183 62.100 0.174 0.000 1.114 296 T CB 1.520 70.504 68.868 0.194 0.000 0.987 296 T HN 0.660 nan 8.240 nan 0.000 0.548 297 A N 2.781 125.652 122.820 0.085 0.000 2.544 297 A HA 0.709 5.055 4.320 0.042 0.000 0.291 297 A C -3.149 174.453 177.584 0.029 0.000 1.055 297 A CA -1.685 50.369 52.037 0.028 0.000 0.651 297 A CB 0.147 19.157 19.000 0.017 0.000 1.296 297 A HN 0.655 nan 8.150 nan 0.000 0.431 298 P HA 0.243 nan 4.420 nan 0.000 0.268 298 P C -0.309 177.025 177.300 0.056 0.000 1.208 298 P CA 0.377 63.496 63.100 0.033 0.000 0.777 298 P CB 0.149 31.858 31.700 0.015 0.000 0.875 299 H N 3.950 123.015 119.070 -0.008 0.000 2.948 299 H HA 0.009 4.591 4.556 0.043 0.000 0.351 299 H C -1.193 174.132 175.328 -0.006 0.000 1.079 299 H CA -0.635 55.406 56.048 -0.011 0.000 1.407 299 H CB 0.212 29.968 29.762 -0.010 0.000 1.373 299 H HN 0.324 nan 8.280 nan 0.000 0.605 300 P HA 0.121 nan 4.420 nan 0.000 0.255 300 P C -0.367 176.709 177.300 -0.374 0.000 1.301 300 P CA 0.210 62.714 63.100 -0.993 0.000 0.817 300 P CB -0.078 31.203 31.700 -0.699 0.000 1.259 301 A N 0.505 123.227 122.820 -0.164 0.000 2.262 301 A HA 0.242 4.587 4.320 0.042 0.000 0.273 301 A C -0.210 177.387 177.584 0.022 0.000 1.202 301 A CA -0.544 51.470 52.037 -0.038 0.000 0.811 301 A CB -0.563 18.440 19.000 0.004 0.000 1.159 301 A HN 0.177 nan 8.150 nan 0.000 0.505 302 F N 1.806 121.711 119.950 -0.075 0.000 2.571 302 F HA 0.283 4.836 4.527 0.043 0.000 0.384 302 F C -1.651 174.125 175.800 -0.040 0.000 1.058 302 F CA -1.575 56.371 58.000 -0.090 0.000 1.200 302 F CB 0.591 39.502 39.000 -0.149 0.000 1.077 302 F HN 0.253 nan 8.300 nan 0.000 0.558 303 P HA -0.025 nan 4.420 nan 0.000 0.276 303 P C 0.347 177.613 177.300 -0.057 0.000 1.235 303 P CA -0.035 62.961 63.100 -0.174 0.000 0.772 303 P CB 1.526 33.104 31.700 -0.203 0.000 0.871 304 T N 2.284 116.908 114.554 0.117 0.000 2.881 304 T HA -0.155 4.220 4.350 0.042 0.000 0.270 304 T C 1.707 176.511 174.700 0.172 0.000 1.068 304 T CA 1.675 63.901 62.100 0.211 0.000 1.131 304 T CB -0.558 68.461 68.868 0.252 0.000 0.871 304 T HN 0.446 nan 8.240 nan 0.000 0.479 305 A N 0.498 123.373 122.820 0.093 0.000 2.172 305 A HA 0.170 4.515 4.320 0.042 0.000 0.216 305 A C 2.088 179.700 177.584 0.047 0.000 1.154 305 A CA 0.883 52.953 52.037 0.056 0.000 0.701 305 A CB -0.346 18.668 19.000 0.024 0.000 0.789 305 A HN 0.498 nan 8.150 nan 0.000 0.465 306 M N -1.256 118.360 119.600 0.027 0.000 2.367 306 M HA 0.071 4.576 4.480 0.042 0.000 0.256 306 M C 1.900 178.431 176.300 0.385 0.000 1.091 306 M CA 0.421 55.779 55.300 0.096 0.000 1.049 306 M CB -0.376 32.085 32.600 -0.232 0.000 1.406 306 M HN 0.601 nan 8.290 nan 0.000 0.498 307 Q N 1.007 121.060 119.800 0.420 0.000 2.045 307 Q HA -0.179 4.186 4.340 0.042 0.000 0.206 307 Q C 1.771 177.956 176.000 0.308 0.000 0.991 307 Q CA 2.412 58.495 55.803 0.466 0.000 0.851 307 Q CB -0.023 28.947 28.738 0.386 0.000 0.911 307 Q HN 0.459 nan 8.270 nan 0.000 0.418 308 A N 0.542 123.401 122.820 0.064 0.000 1.883 308 A HA -0.266 4.079 4.320 0.042 0.000 0.217 308 A C 2.009 179.541 177.584 -0.087 0.000 1.186 308 A CA 1.934 53.751 52.037 -0.368 0.000 0.624 308 A CB -0.632 17.962 19.000 -0.676 0.000 0.822 308 A HN 0.514 nan 8.150 nan 0.000 0.444 309 Q N -1.238 118.587 119.800 0.043 0.000 2.096 309 Q HA -0.103 4.262 4.340 0.042 0.000 0.204 309 Q C 1.638 177.690 176.000 0.087 0.000 0.982 309 Q CA 1.724 57.559 55.803 0.052 0.000 0.850 309 Q CB -0.461 28.325 28.738 0.080 0.000 0.901 309 Q HN 0.694 nan 8.270 nan 0.000 0.422 310 F N -0.082 119.948 119.950 0.133 0.000 2.456 310 F HA -0.071 4.480 4.527 0.041 0.000 0.298 310 F C 2.071 177.913 175.800 0.070 0.000 1.104 310 F CA 1.003 59.081 58.000 0.129 0.000 1.435 310 F CB -0.164 38.957 39.000 0.201 0.000 1.078 310 F HN 0.017 nan 8.300 nan 0.000 0.546 311 T N 0.478 115.180 114.554 0.247 0.000 2.777 311 T HA -0.183 4.192 4.350 0.042 0.000 0.266 311 T C 2.022 176.778 174.700 0.093 0.000 1.040 311 T CA 1.264 63.471 62.100 0.178 0.000 1.141 311 T CB -0.500 68.573 68.868 0.340 0.000 0.868 311 T HN 0.141 nan 8.240 nan 0.000 0.444 312 L N 1.446 122.714 121.223 0.076 0.000 1.989 312 L HA 0.018 4.383 4.340 0.042 0.000 0.211 312 L C 2.257 179.111 176.870 -0.028 0.000 1.071 312 L CA 1.589 56.438 54.840 0.015 0.000 0.749 312 L CB -1.024 41.026 42.059 -0.014 0.000 0.890 312 L HN 0.264 nan 8.230 nan 0.000 0.431 313 L N -0.298 120.881 121.223 -0.074 0.000 2.021 313 L HA -0.318 4.047 4.340 0.042 0.000 0.215 313 L C 2.290 179.132 176.870 -0.046 0.000 1.074 313 L CA 2.039 56.811 54.840 -0.113 0.000 0.760 313 L CB -0.577 41.318 42.059 -0.274 0.000 0.889 313 L HN 0.435 nan 8.230 nan 0.000 0.433 314 N N -0.089 118.607 118.700 -0.007 0.000 2.166 314 N HA -0.158 4.607 4.740 0.042 0.000 0.186 314 N C 1.816 177.318 175.510 -0.013 0.000 1.019 314 N CA 1.406 54.456 53.050 0.001 0.000 0.856 314 N CB -0.389 38.102 38.487 0.006 0.000 0.993 314 N HN 0.381 nan 8.380 nan 0.000 0.426 315 L N 0.433 121.645 121.223 -0.018 0.000 2.353 315 L HA -0.054 4.312 4.340 0.042 0.000 0.220 315 L C 1.337 178.195 176.870 -0.020 0.000 1.133 315 L CA 0.600 55.425 54.840 -0.025 0.000 0.798 315 L CB -0.073 41.965 42.059 -0.034 0.000 0.922 315 L HN 0.092 nan 8.230 nan 0.000 0.445 316 V N -4.768 115.135 119.914 -0.019 0.000 3.159 316 V HA 0.548 4.693 4.120 0.042 0.000 0.333 316 V C 0.599 176.690 176.094 -0.005 0.000 1.424 316 V CA -0.301 61.990 62.300 -0.015 0.000 1.125 316 V CB -0.172 31.637 31.823 -0.025 0.000 1.075 316 V HN 0.092 nan 8.190 nan 0.000 0.482 317 A N 0.729 123.550 122.820 0.001 0.000 2.269 317 A HA 0.783 5.128 4.320 0.042 0.000 0.319 317 A C -0.078 177.519 177.584 0.022 0.000 1.110 317 A CA -0.500 51.542 52.037 0.008 0.000 0.847 317 A CB 1.169 20.173 19.000 0.008 0.000 1.161 317 A HN 0.492 nan 8.150 nan 0.000 0.497 318 E N 0.073 120.288 120.200 0.024 0.000 2.105 318 E HA 0.493 4.868 4.350 0.042 0.000 0.285 318 E C 0.337 176.957 176.600 0.034 0.000 1.055 318 E CA 1.108 57.526 56.400 0.030 0.000 0.843 318 E CB -0.166 29.550 29.700 0.027 0.000 1.067 318 E HN 1.611 nan 8.360 nan 0.000 0.398 319 G N 2.613 111.439 108.800 0.044 0.000 2.343 319 G HA2 -0.058 3.927 3.960 0.042 0.000 0.562 319 G HA3 -0.058 3.927 3.960 0.042 0.000 0.562 319 G C -0.814 174.119 174.900 0.055 0.000 1.269 319 G CA -0.513 44.614 45.100 0.046 0.000 1.011 319 G HN 0.444 nan 8.290 nan 0.000 0.498 320 T N 1.129 115.712 114.554 0.048 0.000 2.753 320 T HA 0.631 5.006 4.350 0.042 0.000 0.297 320 T C 0.663 175.347 174.700 -0.027 0.000 0.981 320 T CA 0.523 62.636 62.100 0.022 0.000 0.956 320 T CB 1.069 69.979 68.868 0.069 0.000 0.936 320 T HN 1.347 nan 8.240 nan 0.000 0.463 321 G N 1.832 110.594 108.800 -0.064 0.000 2.371 321 G HA2 0.602 4.587 3.960 0.042 0.000 0.326 321 G HA3 0.602 4.587 3.960 0.042 0.000 0.326 321 G C -0.956 173.888 174.900 -0.093 0.000 1.127 321 G CA -0.476 44.591 45.100 -0.055 0.000 0.885 321 G HN 0.622 nan 8.290 nan 0.000 0.477 322 V N 2.854 122.724 119.914 -0.074 0.000 2.487 322 V HA 0.448 4.593 4.120 0.042 0.000 0.298 322 V C -0.274 175.776 176.094 -0.074 0.000 1.028 322 V CA -0.542 61.709 62.300 -0.082 0.000 0.860 322 V CB 1.457 33.244 31.823 -0.061 0.000 0.991 322 V HN 0.623 nan 8.190 nan 0.000 0.427 323 I N 3.537 124.066 120.570 -0.068 0.000 2.406 323 I HA 0.470 4.665 4.170 0.042 0.000 0.290 323 I C -0.138 176.026 176.117 0.079 0.000 0.999 323 I CA -0.186 61.097 61.300 -0.028 0.000 1.124 323 I CB 2.234 40.237 38.000 0.006 0.000 1.289 323 I HN 0.501 nan 8.210 nan 0.000 0.441 324 T N 4.348 118.943 114.554 0.069 0.000 2.770 324 T HA 0.268 4.643 4.350 0.042 0.000 0.283 324 T C -0.431 174.340 174.700 0.118 0.000 0.988 324 T CA -0.458 61.716 62.100 0.124 0.000 0.957 324 T CB 1.343 70.240 68.868 0.048 0.000 0.930 324 T HN 0.441 nan 8.240 nan 0.000 0.443 325 E N 2.086 122.371 120.200 0.142 0.000 2.109 325 E HA 0.372 4.747 4.350 0.042 0.000 0.278 325 E C 0.871 177.456 176.600 -0.025 0.000 0.954 325 E CA -0.572 55.850 56.400 0.037 0.000 0.779 325 E CB 0.750 30.376 29.700 -0.123 0.000 1.093 325 E HN 0.639 nan 8.360 nan 0.000 0.401 326 T N 2.137 116.678 114.554 -0.021 0.000 3.044 326 T HA 0.191 4.566 4.350 0.042 0.000 0.260 326 T C 1.099 175.730 174.700 -0.115 0.000 1.019 326 T CA -0.154 61.913 62.100 -0.055 0.000 0.921 326 T CB -0.020 68.825 68.868 -0.038 0.000 1.053 326 T HN 0.400 nan 8.240 nan 0.000 0.533 327 I N -0.141 120.337 120.570 -0.154 0.000 2.729 327 I HA 0.395 4.590 4.170 0.042 0.000 0.256 327 I C 0.149 175.907 176.117 -0.597 0.000 1.115 327 I CA 0.040 61.109 61.300 -0.386 0.000 1.446 327 I CB -0.638 37.104 38.000 -0.429 0.000 1.176 327 I HN 0.204 nan 8.210 nan 0.000 0.446 328 F N 1.135 121.045 119.950 -0.066 0.000 2.482 328 F HA 0.286 4.839 4.527 0.044 0.000 0.331 328 F C 1.337 177.056 175.800 -0.135 0.000 1.115 328 F CA -0.746 57.204 58.000 -0.084 0.000 0.955 328 F CB 1.407 40.363 39.000 -0.073 0.000 1.136 328 F HN -0.120 nan 8.300 nan 0.000 0.452 329 E N 0.369 120.607 120.200 0.063 0.000 2.160 329 E HA -0.205 4.170 4.350 0.042 0.000 0.195 329 E C 0.553 177.108 176.600 -0.074 0.000 0.991 329 E CA 1.085 57.471 56.400 -0.023 0.000 0.810 329 E CB -0.021 29.678 29.700 -0.001 0.000 0.742 329 E HN 0.409 nan 8.360 nan 0.000 0.466 330 N N 0.156 118.827 118.700 -0.049 0.000 2.723 330 N HA 0.139 4.904 4.740 0.042 0.000 0.290 330 N C -0.761 174.699 175.510 -0.082 0.000 1.882 330 N CA -0.074 52.931 53.050 -0.075 0.000 0.851 330 N CB 0.372 38.845 38.487 -0.024 0.000 1.234 330 N HN -0.055 nan 8.380 nan 0.000 0.491 331 R N 1.307 121.696 120.500 -0.184 0.000 2.935 331 R HA 0.261 4.626 4.340 0.042 0.000 0.354 331 R C -0.518 175.858 176.300 0.127 0.000 1.206 331 R CA -0.159 55.909 56.100 -0.054 0.000 1.082 331 R CB -0.118 30.177 30.300 -0.009 0.000 1.431 331 R HN 0.284 nan 8.270 nan 0.000 0.582 332 F N -0.250 119.748 119.950 0.079 0.000 2.775 332 F HA 0.164 4.716 4.527 0.041 0.000 0.313 332 F C 1.293 176.971 175.800 -0.204 0.000 1.121 332 F CA -0.507 57.433 58.000 -0.100 0.000 1.206 332 F CB 0.697 39.638 39.000 -0.098 0.000 1.052 332 F HN 0.091 nan 8.300 nan 0.000 0.524 333 M N 0.229 119.919 119.600 0.150 0.000 2.358 333 M HA -0.189 4.317 4.480 0.042 0.000 0.264 333 M C 2.350 178.675 176.300 0.042 0.000 1.064 333 M CA 1.333 56.675 55.300 0.070 0.000 1.093 333 M CB -0.553 32.079 32.600 0.054 0.000 1.401 333 M HN 0.321 nan 8.290 nan 0.000 0.440 334 H N -1.275 117.821 119.070 0.043 0.000 2.470 334 H HA 0.071 4.653 4.556 0.043 0.000 0.289 334 H C 2.059 177.389 175.328 0.005 0.000 1.033 334 H CA 0.905 56.959 56.048 0.010 0.000 1.331 334 H CB -1.182 28.588 29.762 0.014 0.000 1.414 334 H HN 0.211 nan 8.280 nan 0.000 0.545 335 V N 2.524 122.154 119.914 -0.473 0.000 2.252 335 V HA -0.193 3.952 4.120 0.042 0.000 0.249 335 V C -0.252 175.763 176.094 -0.133 0.000 1.056 335 V CA 2.419 64.534 62.300 -0.308 0.000 1.022 335 V CB -1.414 30.184 31.823 -0.374 0.000 0.641 335 V HN 0.401 nan 8.190 nan 0.000 0.445 336 P HA -0.122 nan 4.420 nan 0.000 0.218 336 P C 1.560 178.842 177.300 -0.030 0.000 1.148 336 P CA 1.171 64.244 63.100 -0.045 0.000 0.822 336 P CB -0.009 31.675 31.700 -0.026 0.000 0.784 337 E N -0.518 119.668 120.200 -0.023 0.000 2.072 337 E HA -0.056 4.320 4.350 0.042 0.000 0.190 337 E C 2.120 178.712 176.600 -0.013 0.000 0.982 337 E CA 0.913 57.308 56.400 -0.008 0.000 0.803 337 E CB -0.930 28.774 29.700 0.007 0.000 0.755 337 E HN 0.313 nan 8.360 nan 0.000 0.453 338 L N 0.608 121.822 121.223 -0.016 0.000 2.141 338 L HA -0.098 4.267 4.340 0.042 0.000 0.209 338 L C 2.485 179.325 176.870 -0.050 0.000 1.094 338 L CA 0.642 55.467 54.840 -0.024 0.000 0.763 338 L CB -0.344 41.707 42.059 -0.013 0.000 0.908 338 L HN 0.074 nan 8.230 nan 0.000 0.437 339 I N -0.485 120.054 120.570 -0.052 0.000 2.361 339 I HA -0.279 3.916 4.170 0.042 0.000 0.251 339 I C 2.619 178.710 176.117 -0.044 0.000 1.133 339 I CA 1.113 62.380 61.300 -0.055 0.000 1.413 339 I CB -0.256 37.726 38.000 -0.030 0.000 1.073 339 I HN 0.215 nan 8.210 nan 0.000 0.424 340 R N 0.228 120.711 120.500 -0.029 0.000 2.148 340 R HA -0.059 4.306 4.340 0.042 0.000 0.227 340 R C 1.839 178.123 176.300 -0.026 0.000 1.103 340 R CA 1.079 57.168 56.100 -0.019 0.000 0.983 340 R CB -0.105 30.189 30.300 -0.010 0.000 0.874 340 R HN 0.355 nan 8.270 nan 0.000 0.451 341 M N -0.742 118.836 119.600 -0.037 0.000 2.505 341 M HA 0.148 4.654 4.480 0.042 0.000 0.230 341 M C 0.641 176.899 176.300 -0.069 0.000 1.153 341 M CA 0.426 55.701 55.300 -0.041 0.000 0.997 341 M CB 1.216 33.795 32.600 -0.035 0.000 1.606 341 M HN 0.416 nan 8.290 nan 0.000 0.481 342 G N 0.314 109.057 108.800 -0.095 0.000 2.176 342 G HA2 -0.183 3.803 3.960 0.042 0.000 0.232 342 G HA3 -0.183 3.803 3.960 0.042 0.000 0.232 342 G C 0.189 174.866 174.900 -0.370 0.000 0.986 342 G CA -0.059 44.941 45.100 -0.168 0.000 0.643 342 G HN 0.653 nan 8.290 nan 0.000 0.522 343 A N 0.504 123.155 122.820 -0.281 0.000 2.366 343 A HA 0.648 4.993 4.320 0.042 0.000 0.249 343 A C 0.096 177.441 177.584 -0.397 0.000 1.084 343 A CA -0.036 51.813 52.037 -0.313 0.000 0.794 343 A CB 0.266 19.183 19.000 -0.139 0.000 1.034 343 A HN 0.525 nan 8.150 nan 0.000 0.491 344 H N -0.020 119.067 119.070 0.029 0.000 2.646 344 H HA 0.692 5.274 4.556 0.043 0.000 0.328 344 H C -0.169 175.208 175.328 0.081 0.000 0.998 344 H CA 0.284 56.373 56.048 0.068 0.000 1.225 344 H CB 1.331 31.156 29.762 0.106 0.000 1.457 344 H HN 0.957 nan 8.280 nan 0.000 0.505 345 A N 2.720 125.633 122.820 0.155 0.000 2.608 345 A HA 0.610 4.955 4.320 0.042 0.000 0.292 345 A C -1.266 176.324 177.584 0.010 0.000 1.066 345 A CA -0.851 51.196 52.037 0.017 0.000 0.676 345 A CB 1.836 20.770 19.000 -0.109 0.000 1.277 345 A HN 0.532 nan 8.150 nan 0.000 0.413 346 E N 0.159 120.334 120.200 -0.043 0.000 2.266 346 E HA 0.653 5.029 4.350 0.042 0.000 0.268 346 E C -1.216 175.327 176.600 -0.095 0.000 0.879 346 E CA -0.256 56.126 56.400 -0.030 0.000 0.762 346 E CB 2.179 31.896 29.700 0.027 0.000 1.199 346 E HN 0.524 nan 8.360 nan 0.000 0.422 347 I N 2.361 122.887 120.570 -0.073 0.000 2.321 347 I HA 0.285 4.480 4.170 0.042 0.000 0.291 347 I C -0.388 175.736 176.117 0.011 0.000 0.998 347 I CA -0.597 60.662 61.300 -0.067 0.000 1.227 347 I CB 1.075 39.064 38.000 -0.018 0.000 1.368 347 I HN 0.243 nan 8.210 nan 0.000 0.466 348 E N 5.350 125.569 120.200 0.032 0.000 2.267 348 E HA 0.325 4.700 4.350 0.042 0.000 0.248 348 E C -0.007 176.643 176.600 0.082 0.000 0.899 348 E CA -0.104 56.324 56.400 0.047 0.000 0.764 348 E CB 1.646 31.362 29.700 0.026 0.000 1.227 348 E HN 0.739 nan 8.360 nan 0.000 0.421 349 S N 3.746 119.498 115.700 0.087 0.000 4.116 349 S HA -0.281 4.214 4.470 0.042 0.000 0.623 349 S C 0.635 175.324 174.600 0.149 0.000 1.933 349 S CA 1.691 59.943 58.200 0.087 0.000 4.224 349 S CB -1.076 62.158 63.200 0.057 0.000 0.208 349 S HN 0.725 nan 8.310 nan 0.000 0.527 350 N N 2.270 121.046 118.700 0.128 0.000 2.327 350 N HA 0.231 4.996 4.740 0.042 0.000 0.231 350 N C -0.114 175.597 175.510 0.335 0.000 1.130 350 N CA 0.864 54.002 53.050 0.147 0.000 0.845 350 N CB 0.186 38.681 38.487 0.014 0.000 1.073 350 N HN 0.885 nan 8.380 nan 0.000 0.496 351 T N -1.936 112.841 114.554 0.373 0.000 2.933 351 T HA 0.510 4.885 4.350 0.042 0.000 0.305 351 T C -0.903 173.796 174.700 -0.001 0.000 1.092 351 T CA -0.666 61.589 62.100 0.257 0.000 1.008 351 T CB 1.691 70.619 68.868 0.100 0.000 1.102 351 T HN -0.025 nan 8.240 nan 0.000 0.469 352 V N 3.211 122.961 119.914 -0.273 0.000 2.398 352 V HA 0.592 4.737 4.120 0.042 0.000 0.286 352 V C -0.071 175.870 176.094 -0.255 0.000 1.026 352 V CA -1.143 60.898 62.300 -0.433 0.000 0.868 352 V CB 1.051 32.449 31.823 -0.709 0.000 0.982 352 V HN 0.804 nan 8.190 nan 0.000 0.443 353 I N 3.427 123.861 120.570 -0.226 0.000 2.301 353 I HA 0.332 4.528 4.170 0.042 0.000 0.292 353 I C 0.136 176.001 176.117 -0.419 0.000 1.046 353 I CA 0.003 61.148 61.300 -0.258 0.000 1.282 353 I CB 0.721 38.610 38.000 -0.186 0.000 1.409 353 I HN 0.658 nan 8.210 nan 0.000 0.484 354 C N 6.296 125.353 119.300 -0.405 0.000 2.341 354 C HA 0.432 4.917 4.460 0.042 0.000 0.338 354 C C 0.372 175.081 174.990 -0.469 0.000 1.257 354 C CA -0.553 58.245 59.018 -0.367 0.000 1.883 354 C CB 0.354 27.989 27.740 -0.174 0.000 2.334 354 C HN 0.606 nan 8.230 nan 0.000 0.524 355 H N 1.513 120.597 119.070 0.024 0.000 2.736 355 H HA 0.282 4.863 4.556 0.042 0.000 0.271 355 H C 0.623 175.990 175.328 0.064 0.000 1.184 355 H CA -0.057 56.019 56.048 0.046 0.000 1.378 355 H CB 0.795 30.596 29.762 0.065 0.000 1.428 355 H HN 0.949 nan 8.280 nan 0.000 0.500 356 G N 1.812 110.675 108.800 0.106 0.000 2.391 356 G HA2 0.248 4.233 3.960 0.042 0.000 0.234 356 G HA3 0.248 4.233 3.960 0.042 0.000 0.234 356 G C 0.484 175.440 174.900 0.093 0.000 1.284 356 G CA 0.001 45.142 45.100 0.069 0.000 0.873 356 G HN 0.432 nan 8.290 nan 0.000 0.549 357 V N -0.003 119.944 119.914 0.054 0.000 3.046 357 V HA 0.668 4.813 4.120 0.042 0.000 0.316 357 V C 1.049 177.157 176.094 0.023 0.000 1.104 357 V CA -0.523 61.810 62.300 0.055 0.000 1.006 357 V CB 1.991 33.827 31.823 0.022 0.000 1.058 357 V HN 0.692 nan 8.190 nan 0.000 0.440 358 E N 1.492 121.707 120.200 0.026 0.000 2.028 358 E HA 0.017 4.392 4.350 0.042 0.000 0.191 358 E C 0.589 177.191 176.600 0.002 0.000 0.988 358 E CA 1.679 58.088 56.400 0.014 0.000 0.799 358 E CB 0.162 29.872 29.700 0.017 0.000 0.755 358 E HN 0.657 nan 8.360 nan 0.000 0.447 359 K N -0.174 120.225 120.400 -0.002 0.000 2.435 359 K HA 0.400 4.745 4.320 0.042 0.000 0.251 359 K C -0.791 175.793 176.600 -0.026 0.000 0.954 359 K CA -0.783 55.497 56.287 -0.012 0.000 0.820 359 K CB 1.801 34.297 32.500 -0.006 0.000 1.292 359 K HN 0.077 nan 8.250 nan 0.000 0.436 360 L N 0.848 122.054 121.223 -0.029 0.000 2.352 360 L HA 0.443 4.809 4.340 0.042 0.000 0.269 360 L C 0.074 176.928 176.870 -0.028 0.000 1.034 360 L CA -0.712 54.104 54.840 -0.040 0.000 0.806 360 L CB 1.879 43.914 42.059 -0.040 0.000 1.244 360 L HN 0.465 nan 8.230 nan 0.000 0.447 361 S N 0.176 115.859 115.700 -0.030 0.000 2.451 361 S HA 0.477 4.972 4.470 0.042 0.000 0.301 361 S C 0.211 174.802 174.600 -0.015 0.000 1.116 361 S CA -0.696 57.493 58.200 -0.018 0.000 1.093 361 S CB 1.665 64.856 63.200 -0.015 0.000 1.017 361 S HN 0.770 nan 8.310 nan 0.000 0.482 362 G N 1.456 110.251 108.800 -0.009 0.000 2.432 362 G HA2 0.504 4.489 3.960 0.042 0.000 0.239 362 G HA3 0.504 4.489 3.960 0.042 0.000 0.239 362 G C -0.181 174.717 174.900 -0.003 0.000 1.291 362 G CA 0.158 45.255 45.100 -0.005 0.000 0.863 362 G HN 1.013 nan 8.290 nan 0.000 0.560 363 A N 1.725 124.545 122.820 -0.000 0.000 2.536 363 A HA 0.675 5.020 4.320 0.042 0.000 0.293 363 A C -0.699 176.890 177.584 0.007 0.000 1.119 363 A CA -0.776 51.262 52.037 0.002 0.000 0.654 363 A CB 0.816 19.815 19.000 -0.002 0.000 1.291 363 A HN 0.638 nan 8.150 nan 0.000 0.439 364 Q N 0.558 120.363 119.800 0.008 0.000 2.322 364 Q HA 0.501 4.866 4.340 0.042 0.000 0.256 364 Q C -0.213 175.793 176.000 0.009 0.000 0.960 364 Q CA -0.522 55.289 55.803 0.012 0.000 0.934 364 Q CB 1.385 30.132 28.738 0.014 0.000 1.200 364 Q HN 0.877 nan 8.270 nan 0.000 0.435 365 V N -0.122 119.797 119.914 0.009 0.000 3.046 365 V HA 0.700 4.845 4.120 0.042 0.000 0.316 365 V C -0.658 175.437 176.094 0.002 0.000 1.104 365 V CA -1.284 61.018 62.300 0.004 0.000 1.006 365 V CB 2.206 34.030 31.823 0.002 0.000 1.058 365 V HN 0.824 nan 8.190 nan 0.000 0.440 366 M N 2.755 122.353 119.600 -0.002 0.000 2.253 366 M HA 0.792 5.298 4.480 0.042 0.000 0.314 366 M C -0.074 176.208 176.300 -0.030 0.000 1.019 366 M CA -0.618 54.678 55.300 -0.008 0.000 0.932 366 M CB 1.472 34.076 32.600 0.006 0.000 1.606 366 M HN 1.205 nan 8.290 nan 0.000 0.430 367 A N 2.887 125.674 122.820 -0.055 0.000 2.477 367 A HA 0.423 4.768 4.320 0.042 0.000 0.246 367 A C 0.835 178.311 177.584 -0.181 0.000 1.078 367 A CA 0.240 52.207 52.037 -0.116 0.000 0.770 367 A CB -0.041 18.882 19.000 -0.128 0.000 1.011 367 A HN 0.961 nan 8.150 nan 0.000 0.494 368 T N -1.561 112.808 114.554 -0.307 0.000 2.959 368 T HA 0.364 4.739 4.350 0.042 0.000 0.254 368 T C 0.009 174.280 174.700 -0.715 0.000 1.003 368 T CA 0.646 62.533 62.100 -0.356 0.000 0.950 368 T CB -0.384 68.401 68.868 -0.139 0.000 1.090 368 T HN 0.877 nan 8.240 nan 0.000 0.503 369 D N -0.804 119.133 120.400 -0.772 0.000 2.692 369 D HA 0.385 5.050 4.640 0.042 0.000 0.290 369 D C 0.683 176.763 176.300 -0.368 0.000 1.281 369 D CA -0.933 52.696 54.000 -0.619 0.000 0.804 369 D CB 0.682 41.309 40.800 -0.288 0.000 1.331 369 D HN -0.105 nan 8.370 nan 0.000 0.432 370 L N 0.553 121.687 121.223 -0.149 0.000 1.951 370 L HA -0.119 4.246 4.340 0.042 0.000 0.222 370 L C 1.988 178.869 176.870 0.018 0.000 1.078 370 L CA 1.928 56.765 54.840 -0.005 0.000 0.778 370 L CB -0.690 41.389 42.059 0.033 0.000 0.893 370 L HN 0.493 nan 8.230 nan 0.000 0.436 371 R N -0.007 120.488 120.500 -0.008 0.000 2.148 371 R HA 0.031 4.396 4.340 0.042 0.000 0.227 371 R C 2.169 178.410 176.300 -0.097 0.000 1.103 371 R CA 1.207 57.308 56.100 0.001 0.000 0.983 371 R CB -1.506 28.787 30.300 -0.013 0.000 0.874 371 R HN 0.589 nan 8.270 nan 0.000 0.451 372 A N 1.372 124.108 122.820 -0.139 0.000 1.898 372 A HA -0.167 4.178 4.320 0.042 0.000 0.216 372 A C 2.372 179.885 177.584 -0.119 0.000 1.181 372 A CA 1.866 53.816 52.037 -0.145 0.000 0.620 372 A CB -0.580 18.375 19.000 -0.075 0.000 0.819 372 A HN 0.448 nan 8.150 nan 0.000 0.442 373 S N 0.500 116.116 115.700 -0.140 0.000 2.370 373 S HA -0.069 4.427 4.470 0.042 0.000 0.226 373 S C 2.117 176.630 174.600 -0.145 0.000 1.033 373 S CA 1.555 59.672 58.200 -0.137 0.000 1.011 373 S CB -0.813 62.301 63.200 -0.143 0.000 0.852 373 S HN 0.956 nan 8.310 nan 0.000 0.457 374 A N 1.593 124.298 122.820 -0.192 0.000 1.933 374 A HA 0.010 4.355 4.320 0.042 0.000 0.218 374 A C 2.473 179.933 177.584 -0.206 0.000 1.175 374 A CA 1.859 53.706 52.037 -0.316 0.000 0.628 374 A CB -1.209 17.476 19.000 -0.524 0.000 0.814 374 A HN 0.575 nan 8.150 nan 0.000 0.444 375 S N -0.094 115.518 115.700 -0.148 0.000 2.368 375 S HA -0.067 4.428 4.470 0.042 0.000 0.225 375 S C 1.791 176.350 174.600 -0.067 0.000 1.030 375 S CA 1.382 59.518 58.200 -0.107 0.000 0.999 375 S CB -0.420 62.713 63.200 -0.112 0.000 0.844 375 S HN 0.524 nan 8.310 nan 0.000 0.459 376 L N 0.994 122.185 121.223 -0.053 0.000 2.141 376 L HA -0.051 4.314 4.340 0.042 0.000 0.209 376 L C 2.252 179.111 176.870 -0.019 0.000 1.094 376 L CA 0.714 55.540 54.840 -0.025 0.000 0.763 376 L CB -0.603 41.445 42.059 -0.020 0.000 0.908 376 L HN 0.210 nan 8.230 nan 0.000 0.437 377 V N 0.118 120.016 119.914 -0.027 0.000 2.358 377 V HA -0.247 3.898 4.120 0.042 0.000 0.246 377 V C 2.370 178.448 176.094 -0.026 0.000 1.047 377 V CA 1.404 63.712 62.300 0.013 0.000 1.035 377 V CB -0.239 31.618 31.823 0.056 0.000 0.658 377 V HN 0.344 nan 8.190 nan 0.000 0.452 378 L N 0.034 121.217 121.223 -0.067 0.000 2.131 378 L HA -0.136 4.229 4.340 0.042 0.000 0.210 378 L C 2.725 179.569 176.870 -0.044 0.000 1.092 378 L CA 1.378 56.178 54.840 -0.067 0.000 0.759 378 L CB -0.807 41.194 42.059 -0.097 0.000 0.903 378 L HN 0.368 nan 8.230 nan 0.000 0.435 379 A N 0.555 123.352 122.820 -0.037 0.000 1.877 379 A HA -0.148 4.197 4.320 0.042 0.000 0.216 379 A C 2.422 179.994 177.584 -0.020 0.000 1.186 379 A CA 1.798 53.819 52.037 -0.027 0.000 0.620 379 A CB -1.276 17.712 19.000 -0.019 0.000 0.822 379 A HN 0.432 nan 8.150 nan 0.000 0.443 380 G N -1.016 107.776 108.800 -0.013 0.000 2.442 380 G HA2 -0.266 3.719 3.960 0.042 0.000 0.219 380 G HA3 -0.266 3.719 3.960 0.042 0.000 0.219 380 G C 1.542 176.434 174.900 -0.014 0.000 1.141 380 G CA 1.300 46.395 45.100 -0.007 0.000 0.763 380 G HN 0.532 nan 8.290 nan 0.000 0.554 381 C N 0.699 119.988 119.300 -0.020 0.000 2.425 381 C HA 0.023 4.508 4.460 0.042 0.000 0.277 381 C C 2.636 177.615 174.990 -0.019 0.000 1.280 381 C CA 0.917 59.922 59.018 -0.022 0.000 1.744 381 C CB -0.881 26.846 27.740 -0.022 0.000 1.989 381 C HN 0.665 nan 8.230 nan 0.000 0.491 382 I N -1.189 119.369 120.570 -0.020 0.000 3.968 382 I HA 0.378 4.573 4.170 0.042 0.000 0.328 382 I C 1.058 177.165 176.117 -0.017 0.000 1.290 382 I CA -0.103 61.186 61.300 -0.018 0.000 1.163 382 I CB -0.398 37.589 38.000 -0.022 0.000 1.024 382 I HN 0.069 nan 8.210 nan 0.000 0.413 383 A N 1.820 124.630 122.820 -0.017 0.000 2.313 383 A HA 0.295 4.640 4.320 0.042 0.000 0.261 383 A C -0.027 177.550 177.584 -0.013 0.000 1.090 383 A CA -0.164 51.863 52.037 -0.016 0.000 0.807 383 A CB 0.293 19.283 19.000 -0.016 0.000 1.055 383 A HN 0.409 nan 8.150 nan 0.000 0.492 384 E N 0.067 120.260 120.200 -0.011 0.000 2.105 384 E HA 0.486 4.861 4.350 0.042 0.000 0.285 384 E C 0.594 177.191 176.600 -0.007 0.000 1.055 384 E CA 1.178 57.573 56.400 -0.008 0.000 0.843 384 E CB -0.240 29.457 29.700 -0.006 0.000 1.067 384 E HN 1.578 nan 8.360 nan 0.000 0.398 385 G N 3.099 111.896 108.800 -0.006 0.000 2.378 385 G HA2 -0.145 3.840 3.960 0.042 0.000 0.198 385 G HA3 -0.145 3.840 3.960 0.042 0.000 0.198 385 G C -0.645 174.252 174.900 -0.004 0.000 1.223 385 G CA -0.386 44.712 45.100 -0.004 0.000 1.088 385 G HN 0.564 nan 8.290 nan 0.000 0.530 386 T N 1.463 116.017 114.554 -0.001 0.000 2.767 386 T HA 0.671 5.046 4.350 0.042 0.000 0.284 386 T C -0.135 174.568 174.700 0.005 0.000 0.973 386 T CA 0.283 62.384 62.100 0.002 0.000 0.996 386 T CB 1.451 70.322 68.868 0.004 0.000 0.927 386 T HN 0.714 nan 8.240 nan 0.000 0.456 387 T N 2.770 117.329 114.554 0.009 0.000 2.829 387 T HA 0.561 4.937 4.350 0.042 0.000 0.280 387 T C -0.476 174.242 174.700 0.030 0.000 0.999 387 T CA -0.543 61.566 62.100 0.015 0.000 0.983 387 T CB 1.318 70.193 68.868 0.012 0.000 0.968 387 T HN 0.318 nan 8.240 nan 0.000 0.446 388 V N 3.668 123.602 119.914 0.033 0.000 2.376 388 V HA 0.361 4.506 4.120 0.042 0.000 0.287 388 V C -0.264 175.858 176.094 0.046 0.000 1.015 388 V CA -0.797 61.533 62.300 0.049 0.000 0.834 388 V CB 1.649 33.495 31.823 0.039 0.000 1.001 388 V HN 0.723 nan 8.190 nan 0.000 0.428 389 V N 3.977 123.932 119.914 0.067 0.000 2.334 389 V HA 0.282 4.427 4.120 0.042 0.000 0.267 389 V C 0.107 176.202 176.094 0.001 0.000 1.040 389 V CA -0.360 61.958 62.300 0.031 0.000 0.866 389 V CB 1.283 33.129 31.823 0.037 0.000 1.019 389 V HN 0.901 nan 8.190 nan 0.000 0.468 390 D N 3.967 124.364 120.400 -0.004 0.000 2.339 390 D HA 0.320 4.985 4.640 0.042 0.000 0.245 390 D C 0.731 177.006 176.300 -0.041 0.000 1.115 390 D CA -0.134 53.863 54.000 -0.006 0.000 0.917 390 D CB 0.468 41.278 40.800 0.016 0.000 1.192 390 D HN 0.494 nan 8.370 nan 0.000 0.428 391 R N 1.650 122.133 120.500 -0.028 0.000 3.267 391 R HA -0.177 4.188 4.340 0.042 0.000 0.254 391 R C 0.733 176.846 176.300 -0.312 0.000 0.993 391 R CA 0.495 56.538 56.100 -0.095 0.000 0.670 391 R CB -2.054 28.198 30.300 -0.079 0.000 1.125 391 R HN 0.464 nan 8.270 nan 0.000 0.434 392 I N -2.214 118.186 120.570 -0.284 0.000 3.444 392 I HA -0.098 4.097 4.170 0.042 0.000 0.287 392 I C 1.960 177.863 176.117 -0.355 0.000 1.302 392 I CA 0.451 61.493 61.300 -0.430 0.000 1.368 392 I CB -0.889 36.591 38.000 -0.866 0.000 1.048 392 I HN 0.351 nan 8.210 nan 0.000 0.487 393 Y N 0.046 120.222 120.300 -0.206 0.000 2.256 393 Y HA -0.235 4.336 4.550 0.036 0.000 0.288 393 Y C 2.371 178.183 175.900 -0.146 0.000 1.155 393 Y CA 1.434 59.422 58.100 -0.186 0.000 1.203 393 Y CB -1.669 36.667 38.460 -0.207 0.000 0.980 393 Y HN 0.208 nan 8.280 nan 0.000 0.530 394 H N 0.526 119.233 119.070 -0.605 0.000 2.353 394 H HA -0.191 4.390 4.556 0.042 0.000 0.298 394 H C 2.363 177.621 175.328 -0.115 0.000 1.103 394 H CA 2.052 57.893 56.048 -0.346 0.000 1.293 394 H CB -0.360 29.136 29.762 -0.443 0.000 1.372 394 H HN 0.507 nan 8.280 nan 0.000 0.501 395 I N 1.068 121.626 120.570 -0.019 0.000 2.493 395 I HA -0.201 3.994 4.170 0.042 0.000 0.254 395 I C 1.216 177.413 176.117 0.134 0.000 1.160 395 I CA 1.024 62.352 61.300 0.046 0.000 1.445 395 I CB 0.013 37.952 38.000 -0.103 0.000 1.086 395 I HN 0.081 nan 8.210 nan 0.000 0.433 396 D N 0.385 120.829 120.400 0.072 0.000 2.348 396 D HA -0.111 4.554 4.640 0.042 0.000 0.216 396 D C 2.081 178.444 176.300 0.106 0.000 0.970 396 D CA 0.525 54.585 54.000 0.101 0.000 0.889 396 D CB -0.075 40.770 40.800 0.075 0.000 0.912 396 D HN 0.376 nan 8.370 nan 0.000 0.524 397 R N -0.136 120.431 120.500 0.110 0.000 2.073 397 R HA 0.008 4.374 4.340 0.042 0.000 0.229 397 R C 1.845 178.180 176.300 0.059 0.000 1.120 397 R CA 1.233 57.385 56.100 0.087 0.000 0.967 397 R CB 0.084 30.442 30.300 0.096 0.000 0.862 397 R HN 0.110 nan 8.270 nan 0.000 0.436 398 G N -1.771 107.066 108.800 0.062 0.000 3.441 398 G HA2 0.103 4.088 3.960 0.042 0.000 0.263 398 G HA3 0.103 4.088 3.960 0.042 0.000 0.263 398 G C -0.608 174.144 174.900 -0.247 0.000 1.014 398 G CA -0.211 44.836 45.100 -0.089 0.000 0.833 398 G HN 0.065 nan 8.290 nan 0.000 0.514 399 Y N 0.598 120.925 120.300 0.045 0.000 2.338 399 Y HA 0.406 4.976 4.550 0.034 0.000 0.333 399 Y C -0.032 175.922 175.900 0.090 0.000 0.968 399 Y CA -1.285 56.856 58.100 0.068 0.000 1.123 399 Y CB 1.769 40.264 38.460 0.059 0.000 1.165 399 Y HN 0.068 nan 8.280 nan 0.000 0.452 400 E N 4.307 124.633 120.200 0.210 0.000 2.180 400 E HA 0.254 4.630 4.350 0.042 0.000 0.283 400 E C -0.318 176.398 176.600 0.193 0.000 1.061 400 E CA -0.403 56.095 56.400 0.163 0.000 0.861 400 E CB 0.273 30.037 29.700 0.107 0.000 1.056 400 E HN 0.680 nan 8.360 nan 0.000 0.407 401 R N 3.490 124.094 120.500 0.173 0.000 3.251 401 R HA -0.223 4.142 4.340 0.042 0.000 0.249 401 R C 1.010 177.430 176.300 0.200 0.000 0.949 401 R CA 0.534 56.731 56.100 0.161 0.000 0.645 401 R CB -1.865 28.501 30.300 0.110 0.000 1.065 401 R HN 0.765 nan 8.270 nan 0.000 0.452 402 I N 0.147 120.870 120.570 0.254 0.000 2.394 402 I HA -0.248 3.947 4.170 0.042 0.000 0.251 402 I C 2.400 178.627 176.117 0.183 0.000 1.136 402 I CA 1.636 63.100 61.300 0.274 0.000 1.425 402 I CB -0.011 38.093 38.000 0.173 0.000 1.079 402 I HN 0.515 nan 8.210 nan 0.000 0.425 403 E N 0.825 121.106 120.200 0.135 0.000 2.023 403 E HA -0.294 4.081 4.350 0.042 0.000 0.196 403 E C 1.675 178.265 176.600 -0.015 0.000 1.003 403 E CA 2.036 58.411 56.400 -0.041 0.000 0.809 403 E CB 0.004 29.659 29.700 -0.075 0.000 0.755 403 E HN 0.475 nan 8.360 nan 0.000 0.449 404 D N 0.388 120.805 120.400 0.028 0.000 2.104 404 D HA -0.160 4.505 4.640 0.042 0.000 0.194 404 D C 1.901 178.210 176.300 0.015 0.000 0.994 404 D CA 1.178 55.187 54.000 0.015 0.000 0.830 404 D CB -0.178 40.638 40.800 0.027 0.000 0.959 404 D HN 0.197 nan 8.370 nan 0.000 0.452 405 K N 0.196 120.626 120.400 0.051 0.000 2.057 405 K HA -0.050 4.295 4.320 0.042 0.000 0.207 405 K C 2.352 178.972 176.600 0.034 0.000 1.049 405 K CA 0.554 56.840 56.287 -0.000 0.000 0.931 405 K CB -0.140 32.360 32.500 -0.001 0.000 0.714 405 K HN 0.156 nan 8.250 nan 0.000 0.440 406 L N 0.469 121.773 121.223 0.135 0.000 2.056 406 L HA -0.138 4.227 4.340 0.042 0.000 0.207 406 L C 2.747 179.632 176.870 0.025 0.000 1.078 406 L CA 1.000 55.916 54.840 0.125 0.000 0.749 406 L CB -0.308 41.803 42.059 0.087 0.000 0.901 406 L HN 0.184 nan 8.230 nan 0.000 0.433 407 R N 0.475 120.968 120.500 -0.012 0.000 2.081 407 R HA -0.174 4.192 4.340 0.042 0.000 0.235 407 R C 2.182 178.466 176.300 -0.025 0.000 1.131 407 R CA 1.477 57.557 56.100 -0.033 0.000 0.960 407 R CB -0.263 30.010 30.300 -0.046 0.000 0.856 407 R HN 0.324 nan 8.270 nan 0.000 0.436 408 A N 0.339 123.143 122.820 -0.027 0.000 2.225 408 A HA -0.052 4.293 4.320 0.042 0.000 0.215 408 A C 1.712 179.274 177.584 -0.038 0.000 1.164 408 A CA 0.885 52.900 52.037 -0.037 0.000 0.710 408 A CB -0.199 18.770 19.000 -0.051 0.000 0.780 408 A HN 0.371 nan 8.150 nan 0.000 0.473 409 L N -2.017 119.192 121.223 -0.024 0.000 2.640 409 L HA 0.308 4.673 4.340 0.042 0.000 0.230 409 L C 1.464 178.330 176.870 -0.007 0.000 1.123 409 L CA 0.544 55.375 54.840 -0.014 0.000 0.900 409 L CB 0.321 42.389 42.059 0.015 0.000 1.146 409 L HN 0.507 nan 8.230 nan 0.000 0.484 410 G N -0.014 108.778 108.800 -0.013 0.000 2.163 410 G HA2 -0.190 3.795 3.960 0.042 0.000 0.213 410 G HA3 -0.190 3.795 3.960 0.042 0.000 0.213 410 G C 0.326 175.215 174.900 -0.017 0.000 0.991 410 G CA -0.148 44.943 45.100 -0.015 0.000 0.653 410 G HN 0.397 nan 8.290 nan 0.000 0.518 411 A N 0.015 122.824 122.820 -0.019 0.000 2.371 411 A HA 0.613 4.958 4.320 0.042 0.000 0.257 411 A C 0.496 178.052 177.584 -0.046 0.000 1.089 411 A CA 0.118 52.137 52.037 -0.030 0.000 0.794 411 A CB 0.433 19.413 19.000 -0.033 0.000 1.029 411 A HN 0.492 nan 8.150 nan 0.000 0.488 412 N N 1.872 120.542 118.700 -0.050 0.000 2.817 412 N HA 0.367 5.133 4.740 0.042 0.000 0.234 412 N C -1.323 174.139 175.510 -0.080 0.000 1.066 412 N CA -0.030 52.988 53.050 -0.054 0.000 0.926 412 N CB 0.272 38.736 38.487 -0.037 0.000 1.176 412 N HN 0.669 nan 8.380 nan 0.000 0.506 413 I N 1.476 121.974 120.570 -0.120 0.000 2.730 413 I HA 0.459 4.654 4.170 0.042 0.000 0.298 413 I C -1.446 174.540 176.117 -0.219 0.000 1.089 413 I CA -0.680 60.500 61.300 -0.199 0.000 1.041 413 I CB 1.970 39.784 38.000 -0.310 0.000 1.235 413 I HN 0.434 nan 8.210 nan 0.000 0.423 414 E N 6.617 126.680 120.200 -0.228 0.000 2.354 414 E HA 0.349 4.725 4.350 0.042 0.000 0.283 414 E C -1.675 174.885 176.600 -0.067 0.000 0.938 414 E CA -1.049 55.261 56.400 -0.150 0.000 0.777 414 E CB 1.608 31.272 29.700 -0.061 0.000 1.222 414 E HN 0.617 nan 8.360 nan 0.000 0.423 415 R N 2.460 122.976 120.500 0.026 0.000 2.308 415 R HA 0.438 4.803 4.340 0.042 0.000 0.305 415 R C -0.455 175.939 176.300 0.156 0.000 1.053 415 R CA -0.427 55.831 56.100 0.263 0.000 0.957 415 R CB 1.165 31.688 30.300 0.372 0.000 1.022 415 R HN 0.507 nan 8.270 nan 0.000 0.461 416 V N 1.131 121.139 119.914 0.156 0.000 2.914 416 V HA 0.590 4.735 4.120 0.042 0.000 0.314 416 V C -0.531 175.610 176.094 0.078 0.000 1.084 416 V CA -1.212 61.143 62.300 0.093 0.000 0.963 416 V CB 2.003 33.870 31.823 0.074 0.000 1.025 416 V HN 0.643 nan 8.190 nan 0.000 0.432 417 K N 1.308 121.741 120.400 0.055 0.000 2.520 417 K HA 0.695 5.040 4.320 0.042 0.000 0.256 417 K C 0.539 177.160 176.600 0.036 0.000 1.033 417 K CA 0.142 56.455 56.287 0.043 0.000 1.007 417 K CB 0.657 33.176 32.500 0.033 0.000 1.330 417 K HN 2.065 nan 8.250 nan 0.000 0.507 418 G N 2.381 111.198 108.800 0.028 0.000 2.940 418 G HA2 -0.139 3.846 3.960 0.042 0.000 0.273 418 G HA3 -0.139 3.846 3.960 0.042 0.000 0.273 418 G C -0.176 174.740 174.900 0.026 0.000 1.030 418 G CA 0.019 45.134 45.100 0.024 0.000 1.066 418 G HN 0.489 nan 8.290 nan 0.000 0.466 419 E N 0.000 120.214 120.200 0.023 0.000 2.725 419 E HA 0.000 4.375 4.350 0.042 0.000 0.291 419 E CA 0.000 56.416 56.400 0.026 0.000 0.976 419 E CB 0.000 29.713 29.700 0.021 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440