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_L 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 0.000 176.327 176.300 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 0.044 0.000 1.302 2 D N 3.762 124.189 120.400 0.045 0.000 2.443 2 D HA 0.371 5.011 4.640 -0.000 0.000 0.234 2 D C -0.326 175.983 176.300 0.015 0.000 1.172 2 D CA 0.890 54.913 54.000 0.039 0.000 0.878 2 D CB 0.725 41.544 40.800 0.032 0.000 1.204 2 D HN 0.527 nan 8.370 nan 0.000 0.453 3 K N 0.515 120.942 120.400 0.046 0.000 2.495 3 K HA 0.491 4.811 4.320 -0.000 0.000 0.268 3 K C -0.903 175.837 176.600 0.233 0.000 1.008 3 K CA -0.784 55.532 56.287 0.048 0.000 0.882 3 K CB 1.956 34.497 32.500 0.068 0.000 1.443 3 K HN 0.294 nan 8.250 nan 0.000 0.447 4 F N 1.228 121.180 119.950 0.004 0.000 2.467 4 F HA 0.412 4.939 4.527 -0.000 0.000 0.336 4 F C 0.152 175.950 175.800 -0.003 0.000 1.123 4 F CA -1.030 56.969 58.000 -0.002 0.000 0.964 4 F CB 1.979 40.970 39.000 -0.014 0.000 1.136 4 F HN 0.215 nan 8.300 nan 0.000 0.447 5 R N 3.957 124.543 120.500 0.143 0.000 2.295 5 R HA 0.615 4.955 4.340 -0.000 0.000 0.324 5 R C -1.768 174.538 176.300 0.010 0.000 0.968 5 R CA -0.396 55.743 56.100 0.065 0.000 0.837 5 R CB 1.470 31.795 30.300 0.041 0.000 1.133 5 R HN 0.479 nan 8.270 nan 0.000 0.450 6 V N 4.402 124.325 119.914 0.014 0.000 2.555 6 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 6 V C -0.517 175.571 176.094 -0.011 0.000 1.038 6 V CA -0.961 61.330 62.300 -0.016 0.000 0.887 6 V CB 1.868 33.688 31.823 -0.005 0.000 0.991 6 V HN 0.701 nan 8.190 nan 0.000 0.434 7 Q N 2.198 121.985 119.800 -0.022 0.000 2.282 7 Q HA 0.774 5.114 4.340 -0.000 0.000 0.260 7 Q C 0.120 176.110 176.000 -0.017 0.000 0.964 7 Q CA -0.169 55.625 55.803 -0.016 0.000 0.880 7 Q CB 2.252 30.979 28.738 -0.018 0.000 1.286 7 Q HN 1.022 nan 8.270 nan 0.000 0.445 8 G N 1.877 110.669 108.800 -0.012 0.000 2.708 8 G HA2 0.689 4.649 3.960 -0.000 0.000 0.289 8 G HA3 0.689 4.649 3.960 -0.000 0.000 0.289 8 G C -2.898 171.996 174.900 -0.010 0.000 1.416 8 G CA -1.096 43.997 45.100 -0.012 0.000 0.829 8 G HN 0.354 nan 8.290 nan 0.000 0.480 9 P HA 0.403 nan 4.420 nan 0.000 0.286 9 P C -0.668 176.625 177.300 -0.011 0.000 1.261 9 P CA -0.117 62.976 63.100 -0.012 0.000 0.821 9 P CB 1.666 33.360 31.700 -0.011 0.000 1.013 10 T N -0.806 113.741 114.554 -0.012 0.000 2.971 10 T HA 0.405 4.755 4.350 -0.000 0.000 0.304 10 T C -0.332 174.363 174.700 -0.009 0.000 1.038 10 T CA -1.041 61.053 62.100 -0.011 0.000 1.007 10 T CB 1.366 70.226 68.868 -0.014 0.000 1.055 10 T HN 0.408 nan 8.240 nan 0.000 0.451 11 R N 3.180 123.676 120.500 -0.007 0.000 2.401 11 R HA 0.445 4.785 4.340 -0.000 0.000 0.299 11 R C -0.538 175.760 176.300 -0.002 0.000 1.064 11 R CA -0.522 55.574 56.100 -0.005 0.000 1.000 11 R CB 0.135 30.432 30.300 -0.005 0.000 0.973 11 R HN 0.697 nan 8.270 nan 0.000 0.438 12 L N 6.283 127.508 121.223 0.003 0.000 2.265 12 L HA 0.304 4.644 4.340 -0.000 0.000 0.288 12 L C -0.156 176.722 176.870 0.013 0.000 1.058 12 L CA -0.203 54.646 54.840 0.016 0.000 0.809 12 L CB 1.108 43.189 42.059 0.037 0.000 1.179 12 L HN 0.802 nan 8.230 nan 0.000 0.429 13 Q N 2.663 122.465 119.800 0.005 0.000 2.633 13 Q HA 0.814 5.154 4.340 -0.000 0.000 0.289 13 Q C -0.396 175.592 176.000 -0.019 0.000 0.940 13 Q CA -0.507 55.292 55.803 -0.006 0.000 0.785 13 Q CB 2.550 31.281 28.738 -0.012 0.000 1.467 13 Q HN 0.651 nan 8.270 nan 0.000 0.401 14 G N 0.669 109.453 108.800 -0.027 0.000 2.253 14 G HA2 0.001 3.961 3.960 -0.000 0.000 0.190 14 G HA3 0.001 3.961 3.960 -0.000 0.000 0.190 14 G C -1.431 173.437 174.900 -0.054 0.000 1.274 14 G CA -0.256 44.819 45.100 -0.042 0.000 1.275 14 G HN 0.712 nan 8.290 nan 0.000 0.518 15 E N -1.528 118.627 120.200 -0.075 0.000 2.416 15 E HA 0.661 5.011 4.350 -0.000 0.000 0.273 15 E C -1.500 175.012 176.600 -0.147 0.000 0.935 15 E CA -0.705 55.640 56.400 -0.092 0.000 0.784 15 E CB 3.198 32.849 29.700 -0.081 0.000 1.301 15 E HN 1.005 nan 8.360 nan 0.000 0.454 16 V N 0.771 120.580 119.914 -0.175 0.000 3.048 16 V HA 0.429 4.549 4.120 -0.000 0.000 0.303 16 V C -1.562 174.427 176.094 -0.175 0.000 1.214 16 V CA -0.263 61.868 62.300 -0.280 0.000 0.984 16 V CB 2.491 33.926 31.823 -0.646 0.000 1.054 16 V HN 0.708 nan 8.190 nan 0.000 0.430 17 T N 7.402 121.872 114.554 -0.141 0.000 2.756 17 T HA 0.534 4.884 4.350 -0.000 0.000 0.290 17 T C -0.171 174.509 174.700 -0.035 0.000 0.985 17 T CA -0.269 61.794 62.100 -0.060 0.000 0.955 17 T CB 0.642 69.487 68.868 -0.037 0.000 0.930 17 T HN 0.488 nan 8.240 nan 0.000 0.451 18 I N 3.240 123.815 120.570 0.009 0.000 2.648 18 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 18 I C 1.168 177.309 176.117 0.040 0.000 1.153 18 I CA 0.148 61.480 61.300 0.055 0.000 1.426 18 I CB 0.308 38.352 38.000 0.074 0.000 1.381 18 I HN 0.568 nan 8.210 nan 0.000 0.571 19 S N 4.009 119.742 115.700 0.054 0.000 2.681 19 S HA 0.508 4.978 4.470 -0.000 0.000 0.270 19 S C 0.648 175.254 174.600 0.010 0.000 1.209 19 S CA -0.589 57.629 58.200 0.030 0.000 0.988 19 S CB 1.195 64.419 63.200 0.042 0.000 1.006 19 S HN 0.849 nan 8.310 nan 0.000 0.558 20 G N 0.157 108.952 108.800 -0.008 0.000 2.554 20 G HA2 0.432 4.392 3.960 -0.000 0.000 0.238 20 G HA3 0.432 4.392 3.960 -0.000 0.000 0.238 20 G C -0.044 174.843 174.900 -0.023 0.000 1.259 20 G CA -0.323 44.763 45.100 -0.022 0.000 0.843 20 G HN 0.896 nan 8.290 nan 0.000 0.582 21 A N 1.454 124.259 122.820 -0.025 0.000 2.491 21 A HA 0.261 4.581 4.320 -0.000 0.000 0.261 21 A C 1.637 179.204 177.584 -0.027 0.000 1.101 21 A CA 0.308 52.328 52.037 -0.030 0.000 0.772 21 A CB 0.298 19.282 19.000 -0.026 0.000 1.043 21 A HN 0.924 nan 8.150 nan 0.000 0.501 22 K N 2.508 122.887 120.400 -0.035 0.000 2.032 22 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 22 K C 0.510 177.129 176.600 0.032 0.000 1.048 22 K CA 1.952 58.230 56.287 -0.014 0.000 0.927 22 K CB -0.132 32.343 32.500 -0.041 0.000 0.712 22 K HN 0.717 nan 8.250 nan 0.000 0.441 23 N N 0.102 118.824 118.700 0.036 0.000 2.501 23 N HA 0.011 4.750 4.740 -0.000 0.000 0.195 23 N C 0.548 176.086 175.510 0.047 0.000 1.213 23 N CA 0.736 53.843 53.050 0.095 0.000 0.864 23 N CB 0.824 39.370 38.487 0.098 0.000 0.999 23 N HN 0.373 nan 8.380 nan 0.000 0.454 24 A N -0.165 122.653 122.820 -0.004 0.000 1.997 24 A HA 0.459 4.779 4.320 -0.000 0.000 0.198 24 A C 2.104 179.636 177.584 -0.086 0.000 1.449 24 A CA 0.648 52.654 52.037 -0.052 0.000 0.908 24 A CB -0.355 18.627 19.000 -0.030 0.000 0.984 24 A HN 0.177 nan 8.150 nan 0.000 0.487 25 A N 0.428 123.214 122.820 -0.057 0.000 1.902 25 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 25 A C 2.111 179.656 177.584 -0.064 0.000 1.181 25 A CA 1.522 53.508 52.037 -0.086 0.000 0.623 25 A CB -0.707 18.257 19.000 -0.059 0.000 0.818 25 A HN 0.437 nan 8.150 nan 0.000 0.443 26 L N -0.047 121.205 121.223 0.048 0.000 1.994 26 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 26 L C -0.192 176.802 176.870 0.208 0.000 1.071 26 L CA 1.871 56.841 54.840 0.216 0.000 0.745 26 L CB -1.429 40.890 42.059 0.432 0.000 0.892 26 L HN 0.312 nan 8.230 nan 0.000 0.431 27 P HA -0.163 nan 4.420 nan 0.000 0.219 27 P C 1.807 178.947 177.300 -0.268 0.000 1.150 27 P CA 1.589 64.341 63.100 -0.580 0.000 0.814 27 P CB 0.055 31.138 31.700 -1.029 0.000 0.787 28 I N -0.686 119.723 120.570 -0.268 0.000 2.353 28 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 28 I C 2.630 178.524 176.117 -0.372 0.000 1.119 28 I CA 0.979 62.018 61.300 -0.435 0.000 1.417 28 I CB -0.521 37.067 38.000 -0.688 0.000 1.078 28 I HN -0.149 nan 8.210 nan 0.000 0.421 29 L N -0.386 120.691 121.223 -0.243 0.000 2.083 29 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 29 L C 2.408 179.188 176.870 -0.150 0.000 1.083 29 L CA 1.596 56.303 54.840 -0.221 0.000 0.752 29 L CB -0.474 41.431 42.059 -0.257 0.000 0.899 29 L HN 0.152 nan 8.230 nan 0.000 0.433 30 F N -0.516 119.430 119.950 -0.008 0.000 2.259 30 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 30 F C 2.546 178.388 175.800 0.070 0.000 1.088 30 F CA 0.857 58.897 58.000 0.067 0.000 1.358 30 F CB -0.425 38.656 39.000 0.135 0.000 1.040 30 F HN -0.009 nan 8.300 nan 0.000 0.505 31 A N 0.077 123.020 122.820 0.206 0.000 2.019 31 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 31 A C 2.328 180.087 177.584 0.291 0.000 1.164 31 A CA 1.403 53.571 52.037 0.219 0.000 0.644 31 A CB -1.104 18.046 19.000 0.249 0.000 0.805 31 A HN 0.292 nan 8.150 nan 0.000 0.449 32 A N -0.269 122.724 122.820 0.288 0.000 2.070 32 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 32 A C 1.942 179.642 177.584 0.193 0.000 1.159 32 A CA 1.184 53.388 52.037 0.278 0.000 0.656 32 A CB -0.572 18.534 19.000 0.177 0.000 0.800 32 A HN 0.496 nan 8.150 nan 0.000 0.453 33 L N -0.783 120.558 121.223 0.197 0.000 2.353 33 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 33 L C 2.038 179.050 176.870 0.236 0.000 1.133 33 L CA 0.638 55.618 54.840 0.234 0.000 0.798 33 L CB -0.314 41.916 42.059 0.285 0.000 0.922 33 L HN 0.428 nan 8.230 nan 0.000 0.445 34 L N -0.678 120.641 121.223 0.160 0.000 2.341 34 L HA 0.111 4.451 4.340 -0.000 0.000 0.214 34 L C 1.381 178.271 176.870 0.033 0.000 1.115 34 L CA -0.343 54.542 54.840 0.074 0.000 0.820 34 L CB -0.319 41.758 42.059 0.030 0.000 0.944 34 L HN 0.111 nan 8.230 nan 0.000 0.452 35 A N 0.442 123.299 122.820 0.062 0.000 2.454 35 A HA 0.103 4.423 4.320 -0.000 0.000 0.260 35 A C 0.983 178.601 177.584 0.058 0.000 1.106 35 A CA -0.153 51.906 52.037 0.035 0.000 0.780 35 A CB 0.231 19.267 19.000 0.059 0.000 1.044 35 A HN 0.312 nan 8.150 nan 0.000 0.498 36 E N 1.503 121.719 120.200 0.027 0.000 2.276 36 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 36 E C -0.135 176.493 176.600 0.048 0.000 0.983 36 E CA 0.508 56.932 56.400 0.040 0.000 0.861 36 E CB 0.361 30.066 29.700 0.010 0.000 0.817 36 E HN 0.839 nan 8.360 nan 0.000 0.485 37 E N 1.288 121.510 120.200 0.038 0.000 2.207 37 E HA 0.270 4.620 4.350 -0.000 0.000 0.270 37 E C -2.629 174.010 176.600 0.065 0.000 0.927 37 E CA -2.556 53.871 56.400 0.045 0.000 0.799 37 E CB 1.550 31.267 29.700 0.030 0.000 1.172 37 E HN -0.170 nan 8.360 nan 0.000 0.404 38 P HA -0.125 nan 4.420 nan 0.000 0.264 38 P C -1.079 176.295 177.300 0.124 0.000 1.173 38 P CA 0.481 63.646 63.100 0.110 0.000 0.761 38 P CB 0.419 32.187 31.700 0.114 0.000 0.794 39 V N 2.564 122.566 119.914 0.148 0.000 2.962 39 V HA 0.445 4.565 4.120 -0.000 0.000 0.313 39 V C -0.154 176.007 176.094 0.111 0.000 1.099 39 V CA -0.532 61.861 62.300 0.155 0.000 0.971 39 V CB 2.271 34.223 31.823 0.214 0.000 1.028 39 V HN 0.471 nan 8.190 nan 0.000 0.430 40 E N 2.939 123.165 120.200 0.043 0.000 2.216 40 E HA 0.540 4.890 4.350 -0.000 0.000 0.260 40 E C -1.671 174.817 176.600 -0.187 0.000 0.880 40 E CA -0.549 55.721 56.400 -0.217 0.000 0.765 40 E CB 1.646 31.217 29.700 -0.215 0.000 1.174 40 E HN 0.655 nan 8.360 nan 0.000 0.417 41 I N 4.562 124.955 120.570 -0.294 0.000 2.328 41 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 41 I C 0.256 176.200 176.117 -0.288 0.000 1.012 41 I CA -0.508 60.660 61.300 -0.220 0.000 1.195 41 I CB 1.378 39.229 38.000 -0.249 0.000 1.350 41 I HN 0.380 nan 8.210 nan 0.000 0.464 42 Q N 4.005 123.678 119.800 -0.212 0.000 2.212 42 Q HA 0.282 4.622 4.340 -0.000 0.000 0.238 42 Q C 0.388 176.297 176.000 -0.152 0.000 0.955 42 Q CA -0.711 54.968 55.803 -0.208 0.000 0.906 42 Q CB 0.697 29.337 28.738 -0.164 0.000 1.215 42 Q HN 0.586 nan 8.270 nan 0.000 0.478 43 N N -0.701 117.924 118.700 -0.126 0.000 2.735 43 N HA -0.167 4.572 4.740 -0.000 0.000 0.248 43 N C -1.615 173.848 175.510 -0.078 0.000 1.083 43 N CA 0.265 53.264 53.050 -0.085 0.000 0.703 43 N CB -0.925 37.516 38.487 -0.078 0.000 1.005 43 N HN 0.336 nan 8.380 nan 0.000 0.550 44 V N 1.743 121.599 119.914 -0.097 0.000 2.455 44 V HA 0.345 4.465 4.120 -0.000 0.000 0.273 44 V C -1.372 174.694 176.094 -0.047 0.000 1.045 44 V CA -1.015 61.236 62.300 -0.082 0.000 0.976 44 V CB 1.023 32.779 31.823 -0.112 0.000 0.993 44 V HN 0.211 nan 8.190 nan 0.000 0.475 45 P HA 0.152 nan 4.420 nan 0.000 0.272 45 P C -0.761 176.540 177.300 0.003 0.000 1.223 45 P CA -0.449 62.648 63.100 -0.005 0.000 0.784 45 P CB 0.872 32.570 31.700 -0.004 0.000 0.923 46 K N 2.580 122.993 120.400 0.022 0.000 2.206 46 K HA 0.395 4.715 4.320 -0.000 0.000 0.268 46 K C -0.202 176.423 176.600 0.041 0.000 1.111 46 K CA -0.207 56.098 56.287 0.029 0.000 0.955 46 K CB -0.077 32.446 32.500 0.038 0.000 1.406 46 K HN 0.421 nan 8.250 nan 0.000 0.427 47 L N 1.170 122.412 121.223 0.032 0.000 2.333 47 L HA 0.361 4.701 4.340 -0.000 0.000 0.263 47 L C 1.388 178.280 176.870 0.037 0.000 1.014 47 L CA -1.075 53.789 54.840 0.041 0.000 0.820 47 L CB 1.327 43.405 42.059 0.031 0.000 1.352 47 L HN 0.283 nan 8.230 nan 0.000 0.421 48 K N 0.713 121.140 120.400 0.045 0.000 2.103 48 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 48 K C 1.055 177.674 176.600 0.031 0.000 1.048 48 K CA 1.722 58.031 56.287 0.037 0.000 0.930 48 K CB 0.087 32.614 32.500 0.045 0.000 0.716 48 K HN 0.617 nan 8.250 nan 0.000 0.444 49 D N 0.558 120.983 120.400 0.040 0.000 2.178 49 D HA -0.117 4.523 4.640 -0.000 0.000 0.202 49 D C 1.843 178.170 176.300 0.045 0.000 0.974 49 D CA 0.539 54.569 54.000 0.050 0.000 0.841 49 D CB 0.058 40.898 40.800 0.067 0.000 0.953 49 D HN 0.162 nan 8.370 nan 0.000 0.478 50 I N 1.362 121.948 120.570 0.026 0.000 2.353 50 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 50 I C 1.663 177.774 176.117 -0.011 0.000 1.119 50 I CA 1.023 62.323 61.300 0.001 0.000 1.417 50 I CB -0.710 37.286 38.000 -0.007 0.000 1.078 50 I HN -0.057 nan 8.210 nan 0.000 0.421 51 D N 0.700 121.102 120.400 0.003 0.000 2.097 51 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 51 D C 2.135 178.432 176.300 -0.006 0.000 0.984 51 D CA 1.603 55.603 54.000 -0.001 0.000 0.826 51 D CB -0.299 40.504 40.800 0.006 0.000 0.973 51 D HN 0.237 nan 8.370 nan 0.000 0.460 52 T N 0.576 115.132 114.554 0.004 0.000 2.720 52 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 52 T C 2.024 176.729 174.700 0.008 0.000 1.037 52 T CA 1.665 63.771 62.100 0.010 0.000 1.144 52 T CB -0.473 68.409 68.868 0.023 0.000 0.864 52 T HN 0.150 nan 8.240 nan 0.000 0.444 53 T N 2.140 116.689 114.554 -0.008 0.000 2.708 53 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 53 T C 2.057 176.662 174.700 -0.159 0.000 1.037 53 T CA 1.153 63.184 62.100 -0.115 0.000 1.146 53 T CB -0.355 68.393 68.868 -0.200 0.000 0.865 53 T HN 0.326 nan 8.240 nan 0.000 0.435 54 M N 0.500 120.040 119.600 -0.100 0.000 2.159 54 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 54 M C 2.372 178.643 176.300 -0.048 0.000 1.063 54 M CA 1.555 56.809 55.300 -0.076 0.000 1.110 54 M CB -0.315 32.261 32.600 -0.039 0.000 1.374 54 M HN 0.121 nan 8.290 nan 0.000 0.411 55 K N 0.501 120.883 120.400 -0.030 0.000 2.032 55 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 55 K C 1.964 178.557 176.600 -0.012 0.000 1.048 55 K CA 1.335 57.613 56.287 -0.015 0.000 0.927 55 K CB -0.376 32.120 32.500 -0.007 0.000 0.712 55 K HN 0.318 nan 8.250 nan 0.000 0.441 56 L N 1.279 122.498 121.223 -0.006 0.000 1.994 56 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 56 L C 2.183 179.053 176.870 -0.000 0.000 1.071 56 L CA 1.247 56.101 54.840 0.023 0.000 0.745 56 L CB -0.195 41.918 42.059 0.089 0.000 0.892 56 L HN 0.222 nan 8.230 nan 0.000 0.431 57 L N -0.762 120.429 121.223 -0.054 0.000 2.012 57 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 57 L C 2.532 179.381 176.870 -0.034 0.000 1.073 57 L CA 2.006 56.813 54.840 -0.055 0.000 0.748 57 L CB -0.990 41.006 42.059 -0.105 0.000 0.891 57 L HN 0.309 nan 8.230 nan 0.000 0.431 58 T N -1.225 113.310 114.554 -0.032 0.000 2.720 58 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 58 T C 1.845 176.524 174.700 -0.033 0.000 1.037 58 T CA 1.347 63.432 62.100 -0.025 0.000 1.144 58 T CB -0.200 68.658 68.868 -0.017 0.000 0.864 58 T HN 0.348 nan 8.240 nan 0.000 0.444 59 Q N 0.290 120.073 119.800 -0.029 0.000 2.291 59 Q HA 0.001 4.341 4.340 -0.000 0.000 0.206 59 Q C 1.865 177.826 176.000 -0.066 0.000 0.976 59 Q CA 0.842 56.624 55.803 -0.034 0.000 0.875 59 Q CB -0.184 28.547 28.738 -0.011 0.000 0.927 59 Q HN 0.516 nan 8.270 nan 0.000 0.450 60 L N -1.056 120.124 121.223 -0.072 0.000 2.591 60 L HA 0.143 4.483 4.340 -0.000 0.000 0.228 60 L C 1.053 177.808 176.870 -0.192 0.000 1.133 60 L CA 0.581 55.336 54.840 -0.141 0.000 0.880 60 L CB 0.215 42.221 42.059 -0.089 0.000 1.033 60 L HN 0.413 nan 8.230 nan 0.000 0.450 61 G N 0.163 108.891 108.800 -0.120 0.000 2.145 61 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.176 61 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.176 61 G C 0.099 174.965 174.900 -0.056 0.000 1.013 61 G CA -0.097 44.940 45.100 -0.105 0.000 0.689 61 G HN 0.207 nan 8.290 nan 0.000 0.506 62 T N 0.590 115.124 114.554 -0.034 0.000 2.907 62 T HA 0.557 4.907 4.350 -0.000 0.000 0.284 62 T C 0.258 174.963 174.700 0.008 0.000 1.004 62 T CA -0.297 61.804 62.100 0.001 0.000 1.063 62 T CB 1.577 70.449 68.868 0.008 0.000 0.992 62 T HN 0.270 nan 8.240 nan 0.000 0.483 63 K N 2.147 122.564 120.400 0.028 0.000 2.264 63 K HA 0.587 4.907 4.320 -0.000 0.000 0.277 63 K C -1.046 175.585 176.600 0.052 0.000 1.067 63 K CA -0.509 55.797 56.287 0.033 0.000 0.900 63 K CB 1.009 33.531 32.500 0.038 0.000 1.124 63 K HN 0.257 nan 8.250 nan 0.000 0.469 64 V N 2.991 122.932 119.914 0.045 0.000 2.735 64 V HA 0.444 4.564 4.120 -0.000 0.000 0.310 64 V C -0.595 175.547 176.094 0.081 0.000 1.061 64 V CA -0.864 61.474 62.300 0.063 0.000 0.913 64 V CB 1.848 33.685 31.823 0.023 0.000 1.005 64 V HN 0.900 nan 8.190 nan 0.000 0.428 65 E N 3.825 124.111 120.200 0.144 0.000 2.380 65 E HA 0.766 5.116 4.350 -0.000 0.000 0.281 65 E C -1.206 175.577 176.600 0.304 0.000 0.999 65 E CA -1.233 55.267 56.400 0.168 0.000 0.800 65 E CB 2.757 32.528 29.700 0.119 0.000 1.228 65 E HN 0.765 nan 8.360 nan 0.000 0.436 66 R N 0.456 121.110 120.500 0.257 0.000 2.906 66 R HA 0.452 4.792 4.340 -0.000 0.000 0.258 66 R C -0.634 175.842 176.300 0.293 0.000 1.156 66 R CA -0.394 55.889 56.100 0.306 0.000 0.996 66 R CB 0.512 30.883 30.300 0.119 0.000 1.259 66 R HN 0.538 nan 8.270 nan 0.000 0.462 67 D N 0.136 120.697 120.400 0.269 0.000 2.256 67 D HA 0.084 4.724 4.640 -0.000 0.000 0.279 67 D C 1.406 177.771 176.300 0.108 0.000 1.209 67 D CA 0.849 54.970 54.000 0.202 0.000 0.946 67 D CB -1.018 39.913 40.800 0.218 0.000 0.914 67 D HN 0.614 nan 8.370 nan 0.000 0.278 68 G N -1.069 107.775 108.800 0.073 0.000 2.744 68 G HA2 0.180 4.140 3.960 -0.000 0.000 0.211 68 G HA3 0.180 4.140 3.960 -0.000 0.000 0.211 68 G C 0.471 175.303 174.900 -0.113 0.000 1.146 68 G CA 0.208 45.303 45.100 -0.009 0.000 0.787 68 G HN 0.359 nan 8.290 nan 0.000 0.534 69 S N -1.217 114.336 115.700 -0.245 0.000 2.704 69 S HA 0.671 5.141 4.470 -0.000 0.000 0.305 69 S C -0.881 173.374 174.600 -0.576 0.000 1.107 69 S CA -0.501 57.362 58.200 -0.563 0.000 0.993 69 S CB 2.429 64.993 63.200 -1.060 0.000 1.110 69 S HN -0.053 nan 8.310 nan 0.000 0.534 70 V N 1.759 121.331 119.914 -0.570 0.000 2.444 70 V HA 0.361 4.481 4.120 -0.000 0.000 0.294 70 V C -1.095 174.790 176.094 -0.349 0.000 1.022 70 V CA -0.614 61.519 62.300 -0.278 0.000 0.850 70 V CB 1.200 32.928 31.823 -0.158 0.000 0.992 70 V HN 0.778 nan 8.190 nan 0.000 0.426 71 W N 5.485 126.785 121.300 0.000 0.000 2.361 71 W HA 0.576 5.236 4.660 -0.000 0.000 0.309 71 W C -0.741 175.785 176.519 0.011 0.000 1.122 71 W CA -0.573 56.779 57.345 0.013 0.000 1.208 71 W CB 1.631 31.099 29.460 0.014 0.000 1.246 71 W HN 0.297 nan 8.180 nan 0.000 0.490 72 I N 3.159 123.835 120.570 0.176 0.000 2.509 72 I HA 0.158 4.327 4.170 -0.000 0.000 0.293 72 I C -0.537 175.659 176.117 0.132 0.000 1.020 72 I CA -0.574 60.799 61.300 0.122 0.000 1.088 72 I CB 1.915 39.959 38.000 0.073 0.000 1.267 72 I HN 0.282 nan 8.210 nan 0.000 0.430 73 D N 5.228 125.693 120.400 0.108 0.000 2.375 73 D HA 0.491 5.131 4.640 -0.000 0.000 0.259 73 D C -0.268 176.085 176.300 0.088 0.000 1.235 73 D CA -0.269 53.790 54.000 0.098 0.000 0.924 73 D CB 1.442 42.294 40.800 0.086 0.000 1.143 73 D HN 0.585 nan 8.370 nan 0.000 0.529 74 A N 2.533 125.416 122.820 0.105 0.000 3.181 74 A HA 0.329 4.649 4.320 -0.000 0.000 0.293 74 A C 1.206 178.883 177.584 0.156 0.000 1.346 74 A CA -0.314 51.799 52.037 0.127 0.000 1.018 74 A CB 0.022 19.116 19.000 0.156 0.000 1.093 74 A HN 0.353 nan 8.150 nan 0.000 0.629 75 S N -0.060 115.713 115.700 0.121 0.000 2.458 75 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 75 S C 1.021 175.706 174.600 0.141 0.000 1.019 75 S CA 0.777 59.050 58.200 0.122 0.000 0.937 75 S CB -0.075 63.176 63.200 0.084 0.000 0.788 75 S HN 0.688 nan 8.310 nan 0.000 0.511 76 N N 1.115 119.881 118.700 0.109 0.000 2.467 76 N HA 0.243 4.983 4.740 -0.000 0.000 0.278 76 N C -1.038 174.488 175.510 0.027 0.000 1.306 76 N CA -0.037 53.062 53.050 0.082 0.000 0.905 76 N CB 0.730 39.242 38.487 0.042 0.000 1.236 76 N HN -0.016 nan 8.380 nan 0.000 0.509 77 V N 2.165 122.106 119.914 0.044 0.000 2.509 77 V HA -0.030 4.090 4.120 -0.000 0.000 0.297 77 V C 1.125 177.004 176.094 -0.359 0.000 1.014 77 V CA 0.552 62.742 62.300 -0.183 0.000 1.127 77 V CB 0.149 31.823 31.823 -0.248 0.000 0.925 77 V HN 0.565 nan 8.190 nan 0.000 0.480 78 N N 3.129 121.553 118.700 -0.460 0.000 2.239 78 N HA 0.066 4.805 4.740 -0.000 0.000 0.208 78 N C 0.348 175.286 175.510 -0.953 0.000 1.200 78 N CA -0.304 52.443 53.050 -0.506 0.000 0.895 78 N CB 0.663 39.015 38.487 -0.225 0.000 1.085 78 N HN 0.601 nan 8.380 nan 0.000 0.500 79 N N 0.137 118.242 118.700 -0.992 0.000 2.370 79 N HA 0.333 5.073 4.740 -0.000 0.000 0.303 79 N C -1.401 173.432 175.510 -1.129 0.000 1.103 79 N CA -0.618 51.906 53.050 -0.876 0.000 0.848 79 N CB 0.950 39.209 38.487 -0.380 0.000 1.235 79 N HN -0.065 nan 8.380 nan 0.000 0.496 80 F N 0.252 120.157 119.950 -0.074 0.000 2.835 80 F HA 0.348 4.875 4.527 -0.000 0.000 0.342 80 F C 0.108 175.926 175.800 0.030 0.000 1.202 80 F CA -0.600 57.374 58.000 -0.044 0.000 1.240 80 F CB -0.144 38.829 39.000 -0.044 0.000 1.005 80 F HN 0.337 nan 8.300 nan 0.000 0.507 81 S N 0.204 115.973 115.700 0.115 0.000 2.570 81 S HA 0.912 5.381 4.470 -0.000 0.000 0.286 81 S C -0.745 173.945 174.600 0.150 0.000 1.099 81 S CA -0.829 57.467 58.200 0.161 0.000 0.913 81 S CB 2.278 65.565 63.200 0.145 0.000 1.085 81 S HN 0.221 nan 8.310 nan 0.000 0.480 82 A N 2.983 125.919 122.820 0.193 0.000 2.291 82 A HA 0.804 5.124 4.320 -0.000 0.000 0.311 82 A C -2.709 174.994 177.584 0.198 0.000 1.224 82 A CA -1.934 50.194 52.037 0.153 0.000 0.821 82 A CB 0.565 19.634 19.000 0.117 0.000 1.172 82 A HN 0.670 nan 8.150 nan 0.000 0.494 83 P HA 0.063 nan 4.420 nan 0.000 0.276 83 P C 0.318 177.699 177.300 0.135 0.000 1.244 83 P CA -0.175 63.092 63.100 0.277 0.000 0.801 83 P CB 0.796 32.624 31.700 0.213 0.000 1.006 84 Y N 3.061 123.376 120.300 0.024 0.000 2.014 84 Y HA -0.308 4.242 4.550 -0.000 0.000 0.272 84 Y C 2.088 177.972 175.900 -0.027 0.000 1.164 84 Y CA 2.814 60.869 58.100 -0.076 0.000 1.114 84 Y CB -1.103 37.338 38.460 -0.032 0.000 0.961 84 Y HN 0.435 nan 8.280 nan 0.000 0.489 85 D N -0.130 120.267 120.400 -0.004 0.000 2.397 85 D HA -0.247 4.393 4.640 -0.000 0.000 0.219 85 D C 1.959 178.167 176.300 -0.154 0.000 0.975 85 D CA 1.477 55.402 54.000 -0.126 0.000 0.940 85 D CB -0.513 40.309 40.800 0.037 0.000 0.884 85 D HN 0.556 nan 8.370 nan 0.000 0.505 86 L N 0.300 121.454 121.223 -0.115 0.000 2.347 86 L HA -0.020 4.320 4.340 -0.000 0.000 0.196 86 L C 2.555 179.358 176.870 -0.112 0.000 1.072 86 L CA 0.401 55.194 54.840 -0.078 0.000 0.817 86 L CB 0.103 42.159 42.059 -0.005 0.000 1.029 86 L HN -0.001 nan 8.230 nan 0.000 0.478 87 V N -0.585 119.249 119.914 -0.133 0.000 2.970 87 V HA -0.198 3.922 4.120 -0.000 0.000 0.260 87 V C 2.200 178.165 176.094 -0.216 0.000 1.100 87 V CA 1.745 63.959 62.300 -0.142 0.000 1.122 87 V CB -0.880 30.861 31.823 -0.137 0.000 0.721 87 V HN 0.614 nan 8.190 nan 0.000 0.483 88 K N 1.635 121.814 120.400 -0.368 0.000 2.442 88 K HA -0.083 4.237 4.320 -0.000 0.000 0.198 88 K C 1.715 178.167 176.600 -0.246 0.000 1.042 88 K CA 1.642 57.677 56.287 -0.420 0.000 0.958 88 K CB -0.636 31.354 32.500 -0.850 0.000 0.766 88 K HN 0.660 nan 8.250 nan 0.000 0.474 89 T N -2.235 112.205 114.554 -0.189 0.000 3.022 89 T HA 0.202 4.552 4.350 -0.000 0.000 0.250 89 T C 0.562 175.219 174.700 -0.073 0.000 1.060 89 T CA -0.421 61.608 62.100 -0.118 0.000 1.013 89 T CB 0.063 68.869 68.868 -0.104 0.000 0.982 89 T HN 0.259 nan 8.240 nan 0.000 0.508 90 M N 2.094 121.647 119.600 -0.079 0.000 2.380 90 M HA 0.328 4.808 4.480 -0.000 0.000 0.202 90 M C 0.428 176.670 176.300 -0.096 0.000 0.975 90 M CA -0.604 54.664 55.300 -0.054 0.000 0.971 90 M CB 1.241 33.846 32.600 0.008 0.000 2.685 90 M HN 0.149 nan 8.290 nan 0.000 0.431 91 R N 1.887 122.303 120.500 -0.141 0.000 2.193 91 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 91 R C 1.261 177.370 176.300 -0.318 0.000 1.110 91 R CA 1.528 57.502 56.100 -0.209 0.000 0.988 91 R CB -0.543 29.634 30.300 -0.206 0.000 0.871 91 R HN 0.639 nan 8.270 nan 0.000 0.458 92 A N 1.905 124.538 122.820 -0.312 0.000 2.186 92 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 92 A C 2.138 179.419 177.584 -0.506 0.000 1.159 92 A CA 1.423 53.154 52.037 -0.511 0.000 0.680 92 A CB -0.571 18.295 19.000 -0.224 0.000 0.787 92 A HN 0.597 nan 8.150 nan 0.000 0.467 93 S N -0.572 114.965 115.700 -0.272 0.000 2.595 93 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 93 S C 1.518 175.899 174.600 -0.365 0.000 0.974 93 S CA 0.878 58.942 58.200 -0.226 0.000 0.942 93 S CB -0.534 62.703 63.200 0.062 0.000 0.766 93 S HN 0.452 nan 8.310 nan 0.000 0.536 94 I N 0.856 121.166 120.570 -0.433 0.000 2.493 94 I HA 0.050 4.220 4.170 -0.000 0.000 0.254 94 I C 1.465 177.423 176.117 -0.266 0.000 1.160 94 I CA 0.479 61.562 61.300 -0.361 0.000 1.445 94 I CB -0.643 37.047 38.000 -0.516 0.000 1.086 94 I HN 0.353 nan 8.210 nan 0.000 0.433 95 W N 0.670 121.658 121.300 -0.520 0.000 2.848 95 W HA 0.068 4.728 4.660 -0.000 0.000 0.241 95 W C 2.279 178.597 176.519 -0.334 0.000 1.289 95 W CA 0.738 57.814 57.345 -0.448 0.000 1.396 95 W CB -1.151 27.954 29.460 -0.593 0.000 1.138 95 W HN 0.317 nan 8.180 nan 0.000 0.677 96 A N -0.470 122.291 122.820 -0.098 0.000 2.021 96 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 96 A C 1.946 179.653 177.584 0.204 0.000 1.163 96 A CA 0.684 52.859 52.037 0.230 0.000 0.676 96 A CB -0.591 18.606 19.000 0.328 0.000 0.818 96 A HN 0.122 nan 8.150 nan 0.000 0.453 97 L N 0.415 121.717 121.223 0.133 0.000 1.990 97 L HA -0.107 4.233 4.340 -0.000 0.000 0.213 97 L C 2.432 179.394 176.870 0.153 0.000 1.072 97 L CA 2.423 57.345 54.840 0.136 0.000 0.755 97 L CB -1.092 41.024 42.059 0.095 0.000 0.889 97 L HN 0.326 nan 8.230 nan 0.000 0.432 98 G N -0.727 108.171 108.800 0.163 0.000 2.545 98 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 98 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 98 G C -0.599 174.385 174.900 0.140 0.000 1.218 98 G CA 1.069 46.256 45.100 0.145 0.000 0.787 98 G HN 0.384 nan 8.290 nan 0.000 0.571 99 P HA -0.046 nan 4.420 nan 0.000 0.215 99 P C 2.157 179.599 177.300 0.236 0.000 1.153 99 P CA 0.742 63.951 63.100 0.183 0.000 0.853 99 P CB -0.137 31.699 31.700 0.227 0.000 0.788 100 L N -1.111 120.288 121.223 0.294 0.000 2.012 100 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 100 L C 2.445 179.482 176.870 0.278 0.000 1.073 100 L CA 1.488 56.561 54.840 0.390 0.000 0.748 100 L CB -1.213 41.046 42.059 0.332 0.000 0.891 100 L HN -0.096 nan 8.230 nan 0.000 0.431 101 V N -0.379 119.629 119.914 0.157 0.000 2.667 101 V HA -0.137 3.983 4.120 -0.000 0.000 0.252 101 V C 2.469 178.587 176.094 0.041 0.000 1.065 101 V CA 1.500 63.846 62.300 0.077 0.000 1.083 101 V CB 0.155 32.013 31.823 0.059 0.000 0.692 101 V HN 0.431 nan 8.190 nan 0.000 0.468 102 A N -0.301 122.548 122.820 0.048 0.000 1.970 102 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 102 A C 2.371 179.919 177.584 -0.061 0.000 1.170 102 A CA 1.615 53.651 52.037 -0.001 0.000 0.645 102 A CB -0.362 18.644 19.000 0.010 0.000 0.816 102 A HN 0.527 nan 8.150 nan 0.000 0.447 103 R N -2.268 118.178 120.500 -0.089 0.000 2.146 103 R HA 0.170 4.510 4.340 -0.000 0.000 0.206 103 R C 0.508 176.473 176.300 -0.559 0.000 1.049 103 R CA 0.699 56.591 56.100 -0.346 0.000 1.029 103 R CB 0.041 30.054 30.300 -0.479 0.000 0.949 103 R HN 0.434 nan 8.270 nan 0.000 0.471 104 F N -0.449 119.465 119.950 -0.060 0.000 2.661 104 F HA 0.403 4.930 4.527 -0.000 0.000 0.306 104 F C 1.279 176.931 175.800 -0.247 0.000 1.094 104 F CA 0.340 58.232 58.000 -0.181 0.000 1.254 104 F CB 1.369 40.155 39.000 -0.356 0.000 1.040 104 F HN 0.262 nan 8.300 nan 0.000 0.562 105 G N 1.096 109.873 108.800 -0.039 0.000 2.168 105 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.263 105 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.263 105 G C 0.099 174.957 174.900 -0.070 0.000 0.977 105 G CA 0.676 45.743 45.100 -0.055 0.000 0.659 105 G HN 0.536 nan 8.290 nan 0.000 0.533 106 Q N -1.939 117.800 119.800 -0.102 0.000 2.575 106 Q HA 0.665 5.005 4.340 -0.000 0.000 0.290 106 Q C -0.462 175.519 176.000 -0.032 0.000 0.963 106 Q CA -0.541 55.204 55.803 -0.096 0.000 0.783 106 Q CB 1.675 30.308 28.738 -0.175 0.000 1.467 106 Q HN 1.695 nan 8.270 nan 0.000 0.402 107 G N 1.201 110.036 108.800 0.058 0.000 2.429 107 G HA2 0.413 4.373 3.960 -0.000 0.000 0.300 107 G HA3 0.413 4.373 3.960 -0.000 0.000 0.300 107 G C -2.180 172.808 174.900 0.147 0.000 1.598 107 G CA -0.654 44.537 45.100 0.152 0.000 0.863 107 G HN 0.711 nan 8.290 nan 0.000 0.614 108 Q N 0.159 120.070 119.800 0.184 0.000 2.289 108 Q HA 0.727 5.067 4.340 -0.000 0.000 0.270 108 Q C -1.611 174.520 176.000 0.218 0.000 1.038 108 Q CA -1.055 54.867 55.803 0.199 0.000 0.812 108 Q CB 2.805 31.673 28.738 0.216 0.000 1.300 108 Q HN 0.578 nan 8.270 nan 0.000 0.427 109 V N 1.037 121.048 119.914 0.161 0.000 2.709 109 V HA 0.361 4.481 4.120 -0.000 0.000 0.308 109 V C -0.096 175.946 176.094 -0.087 0.000 1.062 109 V CA -0.817 61.522 62.300 0.064 0.000 0.901 109 V CB 1.959 33.787 31.823 0.008 0.000 1.003 109 V HN 0.908 nan 8.190 nan 0.000 0.425 110 S N 3.998 119.512 115.700 -0.309 0.000 2.525 110 S HA 0.240 4.710 4.470 -0.000 0.000 0.285 110 S C -0.066 174.380 174.600 -0.257 0.000 1.283 110 S CA -0.382 57.466 58.200 -0.586 0.000 1.072 110 S CB 0.020 62.870 63.200 -0.584 0.000 0.867 110 S HN 0.652 nan 8.310 nan 0.000 0.492 111 L N 8.131 129.238 121.223 -0.193 0.000 2.597 111 L HA 0.223 4.563 4.340 -0.000 0.000 0.271 111 L C -1.663 175.154 176.870 -0.088 0.000 1.157 111 L CA -1.435 53.340 54.840 -0.107 0.000 0.928 111 L CB 0.456 42.478 42.059 -0.061 0.000 1.216 111 L HN 0.593 nan 8.230 nan 0.000 0.481 112 P HA 0.088 nan 4.420 nan 0.000 0.268 112 P C -0.001 177.269 177.300 -0.050 0.000 1.205 112 P CA -0.218 62.828 63.100 -0.090 0.000 0.771 112 P CB 0.969 32.586 31.700 -0.139 0.000 0.858 113 G N 1.815 110.605 108.800 -0.017 0.000 2.504 113 G HA2 0.473 4.433 3.960 -0.000 0.000 0.257 113 G HA3 0.473 4.433 3.960 -0.000 0.000 0.257 113 G C 0.238 175.129 174.900 -0.015 0.000 1.451 113 G CA -0.414 44.688 45.100 0.002 0.000 1.059 113 G HN 0.623 nan 8.290 nan 0.000 0.550 114 G N -2.105 106.692 108.800 -0.004 0.000 2.569 114 G HA2 0.402 4.362 3.960 -0.000 0.000 0.249 114 G HA3 0.402 4.362 3.960 -0.000 0.000 0.249 114 G C -0.336 174.553 174.900 -0.019 0.000 1.216 114 G CA 0.143 45.238 45.100 -0.009 0.000 0.845 114 G HN 0.720 nan 8.290 nan 0.000 0.568 115 C N 0.198 119.481 119.300 -0.028 0.000 2.630 115 C HA 0.719 5.179 4.460 -0.000 0.000 0.346 115 C C 1.960 176.924 174.990 -0.043 0.000 1.245 115 C CA 0.258 59.248 59.018 -0.047 0.000 1.804 115 C CB 1.208 28.896 27.740 -0.087 0.000 2.279 115 C HN 1.034 nan 8.230 nan 0.000 0.498 116 A N 1.625 124.414 122.820 -0.051 0.000 1.877 116 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 116 A C 1.718 179.261 177.584 -0.069 0.000 1.186 116 A CA 2.126 54.134 52.037 -0.048 0.000 0.620 116 A CB -0.739 18.229 19.000 -0.053 0.000 0.822 116 A HN 1.095 nan 8.150 nan 0.000 0.443 117 I N -4.136 116.356 120.570 -0.130 0.000 3.564 117 I HA 0.451 4.621 4.170 -0.000 0.000 0.294 117 I C 0.752 176.835 176.117 -0.057 0.000 1.289 117 I CA 0.469 61.682 61.300 -0.146 0.000 1.325 117 I CB -0.362 37.444 38.000 -0.323 0.000 1.039 117 I HN 0.298 nan 8.210 nan 0.000 0.474 118 G N -0.154 108.633 108.800 -0.022 0.000 2.340 118 G HA2 0.417 4.377 3.960 -0.000 0.000 0.298 118 G HA3 0.417 4.377 3.960 -0.000 0.000 0.298 118 G C 0.053 174.981 174.900 0.047 0.000 1.498 118 G CA -0.285 44.858 45.100 0.071 0.000 0.847 118 G HN 0.032 nan 8.290 nan 0.000 0.594 119 A N -0.006 122.844 122.820 0.049 0.000 1.972 119 A HA 0.216 4.536 4.320 -0.000 0.000 0.219 119 A C 1.564 179.166 177.584 0.030 0.000 1.169 119 A CA 1.725 53.778 52.037 0.026 0.000 0.635 119 A CB -0.548 18.463 19.000 0.019 0.000 0.810 119 A HN 1.414 nan 8.150 nan 0.000 0.446 120 R N -1.062 119.483 120.500 0.074 0.000 3.092 120 R HA -0.126 4.214 4.340 -0.000 0.000 0.245 120 R C -2.311 174.002 176.300 0.020 0.000 0.881 120 R CA 0.414 56.564 56.100 0.083 0.000 0.614 120 R CB -1.966 28.381 30.300 0.079 0.000 1.128 120 R HN 0.546 nan 8.270 nan 0.000 0.483 121 P HA 0.012 nan 4.420 nan 0.000 0.271 121 P C 0.187 177.492 177.300 0.007 0.000 1.233 121 P CA -0.209 62.893 63.100 0.002 0.000 0.789 121 P CB 1.019 32.725 31.700 0.009 0.000 0.951 122 V N 0.899 120.810 119.914 -0.006 0.000 3.070 122 V HA -0.010 4.110 4.120 -0.000 0.000 0.345 122 V C 1.653 177.820 176.094 0.121 0.000 1.403 122 V CA 0.160 62.462 62.300 0.003 0.000 1.155 122 V CB -0.589 31.101 31.823 -0.222 0.000 1.140 122 V HN 0.614 nan 8.190 nan 0.000 0.505 123 D N 0.432 120.890 120.400 0.097 0.000 2.133 123 D HA -0.278 4.362 4.640 -0.000 0.000 0.195 123 D C 1.790 178.191 176.300 0.169 0.000 0.997 123 D CA 1.605 55.669 54.000 0.106 0.000 0.840 123 D CB -0.143 40.688 40.800 0.051 0.000 0.947 123 D HN 0.509 nan 8.370 nan 0.000 0.452 124 L N 0.023 121.339 121.223 0.156 0.000 2.131 124 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 124 L C 2.849 179.847 176.870 0.213 0.000 1.092 124 L CA 1.002 55.938 54.840 0.159 0.000 0.759 124 L CB -0.689 41.399 42.059 0.048 0.000 0.903 124 L HN 0.143 nan 8.230 nan 0.000 0.435 125 H N 0.069 119.209 119.070 0.117 0.000 2.293 125 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 125 H C 2.465 177.856 175.328 0.105 0.000 1.082 125 H CA 1.884 57.996 56.048 0.107 0.000 1.308 125 H CB 0.022 29.821 29.762 0.063 0.000 1.375 125 H HN 0.321 nan 8.280 nan 0.000 0.495 126 I N 0.388 121.105 120.570 0.245 0.000 2.179 126 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 126 I C 2.576 178.779 176.117 0.143 0.000 1.088 126 I CA 1.169 62.563 61.300 0.157 0.000 1.357 126 I CB -0.389 37.688 38.000 0.128 0.000 1.051 126 I HN 0.083 nan 8.210 nan 0.000 0.409 127 F N 1.932 121.911 119.950 0.050 0.000 2.091 127 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 127 F C 2.276 178.090 175.800 0.024 0.000 1.103 127 F CA 1.825 59.842 58.000 0.028 0.000 1.228 127 F CB -0.871 38.140 39.000 0.018 0.000 0.984 127 F HN -0.004 nan 8.300 nan 0.000 0.477 128 G N 0.903 109.702 108.800 -0.001 0.000 2.421 128 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 128 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 128 G C 1.780 176.601 174.900 -0.133 0.000 1.171 128 G CA 1.096 46.126 45.100 -0.115 0.000 0.775 128 G HN 0.453 nan 8.290 nan 0.000 0.543 129 L N 0.057 121.257 121.223 -0.038 0.000 2.046 129 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 129 L C 2.892 179.720 176.870 -0.069 0.000 1.077 129 L CA 1.258 56.083 54.840 -0.024 0.000 0.747 129 L CB -0.448 41.630 42.059 0.032 0.000 0.896 129 L HN 0.309 nan 8.230 nan 0.000 0.432 130 E N -0.060 120.081 120.200 -0.099 0.000 2.110 130 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 130 E C 2.107 178.605 176.600 -0.171 0.000 0.988 130 E CA 0.830 57.163 56.400 -0.112 0.000 0.804 130 E CB 0.086 29.727 29.700 -0.098 0.000 0.745 130 E HN 0.297 nan 8.360 nan 0.000 0.458 131 K N 0.396 120.616 120.400 -0.300 0.000 2.283 131 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 131 K C 1.832 178.340 176.600 -0.154 0.000 1.048 131 K CA 0.656 56.769 56.287 -0.290 0.000 0.948 131 K CB 0.018 32.243 32.500 -0.459 0.000 0.742 131 K HN 0.242 nan 8.250 nan 0.000 0.458 132 L N -0.414 120.737 121.223 -0.119 0.000 2.591 132 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 132 L C 1.159 177.998 176.870 -0.053 0.000 1.133 132 L CA 0.436 55.235 54.840 -0.069 0.000 0.880 132 L CB 0.032 42.061 42.059 -0.050 0.000 1.033 132 L HN 0.372 nan 8.230 nan 0.000 0.450 133 G N -0.431 108.334 108.800 -0.059 0.000 2.201 133 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.212 133 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.212 133 G C 0.408 175.290 174.900 -0.031 0.000 0.994 133 G CA -0.144 44.931 45.100 -0.042 0.000 0.644 133 G HN 0.419 nan 8.290 nan 0.000 0.508 134 A N 0.214 123.016 122.820 -0.029 0.000 2.407 134 A HA 0.615 4.935 4.320 -0.000 0.000 0.248 134 A C 0.331 177.909 177.584 -0.010 0.000 1.082 134 A CA 0.735 52.765 52.037 -0.013 0.000 0.785 134 A CB 0.486 19.486 19.000 -0.000 0.000 1.020 134 A HN 0.602 nan 8.150 nan 0.000 0.489 135 E N 1.734 121.934 120.200 -0.000 0.000 2.133 135 E HA 0.467 4.817 4.350 -0.000 0.000 0.274 135 E C -1.119 175.491 176.600 0.016 0.000 0.930 135 E CA -0.542 55.861 56.400 0.005 0.000 0.770 135 E CB 0.564 30.267 29.700 0.004 0.000 1.104 135 E HN 0.507 nan 8.360 nan 0.000 0.403 136 I N 4.263 124.846 120.570 0.022 0.000 2.378 136 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 136 I C -0.215 175.924 176.117 0.036 0.000 0.992 136 I CA -0.756 60.564 61.300 0.034 0.000 1.154 136 I CB 1.242 39.267 38.000 0.042 0.000 1.315 136 I HN 0.494 nan 8.210 nan 0.000 0.448 137 K N 5.173 125.598 120.400 0.041 0.000 2.385 137 K HA 0.695 5.015 4.320 -0.000 0.000 0.248 137 K C -1.235 175.396 176.600 0.052 0.000 0.955 137 K CA -0.980 55.332 56.287 0.041 0.000 0.816 137 K CB 2.960 35.482 32.500 0.036 0.000 1.250 137 K HN 0.327 nan 8.250 nan 0.000 0.434 138 L N 1.855 123.107 121.223 0.049 0.000 2.345 138 L HA 0.340 4.680 4.340 -0.000 0.000 0.274 138 L C -1.256 175.650 176.870 0.060 0.000 0.999 138 L CA 0.088 54.963 54.840 0.058 0.000 0.849 138 L CB 0.870 42.955 42.059 0.043 0.000 1.220 138 L HN 0.744 nan 8.230 nan 0.000 0.422 139 E N 3.140 123.390 120.200 0.083 0.000 2.292 139 E HA 0.433 4.783 4.350 -0.000 0.000 0.272 139 E C -0.921 175.745 176.600 0.110 0.000 0.881 139 E CA -0.351 56.091 56.400 0.071 0.000 0.754 139 E CB 1.292 31.019 29.700 0.045 0.000 1.201 139 E HN 0.661 nan 8.360 nan 0.000 0.425 140 E N 1.396 121.648 120.200 0.086 0.000 2.476 140 E HA -0.319 4.031 4.350 -0.000 0.000 0.251 140 E C 0.690 177.429 176.600 0.232 0.000 1.130 140 E CA 0.681 57.148 56.400 0.111 0.000 0.736 140 E CB -2.512 27.224 29.700 0.061 0.000 1.298 140 E HN 1.450 nan 8.360 nan 0.000 0.400 141 G N -0.863 108.023 108.800 0.144 0.000 2.168 141 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.263 141 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.263 141 G C -0.180 174.737 174.900 0.028 0.000 0.977 141 G CA 0.761 45.904 45.100 0.071 0.000 0.659 141 G HN 0.435 nan 8.290 nan 0.000 0.533 142 Y N -0.879 119.432 120.300 0.018 0.000 2.352 142 Y HA 0.548 5.098 4.550 -0.000 0.000 0.339 142 Y C 0.480 176.396 175.900 0.026 0.000 0.992 142 Y CA -1.013 57.105 58.100 0.030 0.000 1.100 142 Y CB 2.127 40.608 38.460 0.035 0.000 1.192 142 Y HN 0.203 nan 8.280 nan 0.000 0.458 143 V N 6.015 125.996 119.914 0.111 0.000 2.387 143 V HA 0.283 4.403 4.120 -0.000 0.000 0.260 143 V C -0.625 175.536 176.094 0.113 0.000 1.054 143 V CA -0.477 61.873 62.300 0.083 0.000 0.967 143 V CB -0.336 31.508 31.823 0.035 0.000 1.036 143 V HN 0.679 nan 8.190 nan 0.000 0.481 144 K N 6.368 126.831 120.400 0.105 0.000 2.240 144 K HA 0.767 5.087 4.320 -0.000 0.000 0.271 144 K C -0.320 176.321 176.600 0.067 0.000 1.018 144 K CA -0.196 56.148 56.287 0.095 0.000 0.874 144 K CB 1.904 34.455 32.500 0.084 0.000 1.098 144 K HN 0.774 nan 8.250 nan 0.000 0.458 145 A N 1.862 124.722 122.820 0.066 0.000 2.374 145 A HA 0.749 5.069 4.320 -0.000 0.000 0.317 145 A C -0.670 176.933 177.584 0.032 0.000 1.094 145 A CA -0.619 51.447 52.037 0.048 0.000 0.765 145 A CB 1.281 20.314 19.000 0.055 0.000 1.268 145 A HN 0.715 nan 8.150 nan 0.000 0.438 146 S N -0.313 115.397 115.700 0.017 0.000 2.588 146 S HA 0.777 5.247 4.470 -0.000 0.000 0.269 146 S C -1.384 173.213 174.600 -0.005 0.000 1.157 146 S CA -0.449 57.752 58.200 0.000 0.000 0.824 146 S CB 1.318 64.517 63.200 -0.003 0.000 1.126 146 S HN 2.159 nan 8.310 nan 0.000 0.464 147 V N 1.328 121.233 119.914 -0.015 0.000 2.852 147 V HA 0.488 4.608 4.120 -0.000 0.000 0.300 147 V C -1.885 174.195 176.094 -0.022 0.000 1.205 147 V CA -0.742 61.548 62.300 -0.017 0.000 0.940 147 V CB 2.146 33.958 31.823 -0.018 0.000 1.047 147 V HN 0.998 nan 8.190 nan 0.000 0.429 148 N N 4.955 123.643 118.700 -0.019 0.000 2.448 148 N HA 0.575 5.315 4.740 -0.000 0.000 0.250 148 N C 0.477 175.974 175.510 -0.022 0.000 1.136 148 N CA 1.127 54.166 53.050 -0.019 0.000 0.953 148 N CB 1.149 39.627 38.487 -0.014 0.000 1.251 148 N HN 1.417 nan 8.380 nan 0.000 0.502 149 G N 1.885 110.669 108.800 -0.027 0.000 2.482 149 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.214 149 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.214 149 G C -0.577 174.301 174.900 -0.037 0.000 1.271 149 G CA -0.787 44.295 45.100 -0.030 0.000 0.944 149 G HN 0.524 nan 8.290 nan 0.000 0.568 150 R N -0.466 120.012 120.500 -0.037 0.000 2.528 150 R HA 0.602 4.942 4.340 -0.000 0.000 0.271 150 R C 0.625 176.905 176.300 -0.034 0.000 1.056 150 R CA -0.651 55.424 56.100 -0.041 0.000 1.117 150 R CB 0.602 30.876 30.300 -0.043 0.000 1.085 150 R HN 0.470 nan 8.270 nan 0.000 0.530 151 L N 1.555 122.758 121.223 -0.033 0.000 2.472 151 L HA 0.204 4.544 4.340 -0.000 0.000 0.260 151 L C 0.422 177.274 176.870 -0.030 0.000 1.209 151 L CA 0.125 54.947 54.840 -0.030 0.000 0.817 151 L CB 0.259 42.302 42.059 -0.027 0.000 1.106 151 L HN 0.330 nan 8.230 nan 0.000 0.479 152 K N 0.791 121.173 120.400 -0.030 0.000 2.323 152 K HA 0.357 4.677 4.320 -0.000 0.000 0.259 152 K C -0.059 176.525 176.600 -0.028 0.000 0.947 152 K CA -0.631 55.639 56.287 -0.028 0.000 0.819 152 K CB 1.691 34.176 32.500 -0.026 0.000 1.109 152 K HN 0.736 nan 8.250 nan 0.000 0.429 153 G N 1.514 110.299 108.800 -0.025 0.000 2.464 153 G HA2 0.307 4.266 3.960 -0.000 0.000 0.231 153 G HA3 0.307 4.266 3.960 -0.000 0.000 0.231 153 G C -0.506 174.385 174.900 -0.015 0.000 1.267 153 G CA -0.060 45.027 45.100 -0.022 0.000 0.863 153 G HN 0.647 nan 8.290 nan 0.000 0.559 154 A N 1.360 124.178 122.820 -0.004 0.000 2.609 154 A HA 0.647 4.967 4.320 -0.000 0.000 0.291 154 A C -0.900 176.732 177.584 0.080 0.000 1.096 154 A CA -0.705 51.344 52.037 0.020 0.000 0.684 154 A CB 1.057 20.049 19.000 -0.013 0.000 1.282 154 A HN 0.959 nan 8.150 nan 0.000 0.412 155 H N 1.055 120.115 119.070 -0.018 0.000 2.690 155 H HA 0.596 5.152 4.556 -0.000 0.000 0.289 155 H C -0.984 174.350 175.328 0.011 0.000 1.089 155 H CA -0.415 55.633 56.048 -0.001 0.000 1.299 155 H CB 0.188 29.953 29.762 0.005 0.000 1.405 155 H HN 0.471 nan 8.280 nan 0.000 0.463 156 I N 6.245 126.910 120.570 0.158 0.000 2.362 156 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 156 I C -0.517 175.651 176.117 0.085 0.000 0.994 156 I CA -0.981 60.371 61.300 0.086 0.000 1.158 156 I CB 1.838 39.880 38.000 0.071 0.000 1.315 156 I HN 0.285 nan 8.210 nan 0.000 0.451 157 V N 6.684 126.640 119.914 0.070 0.000 2.347 157 V HA 0.349 4.469 4.120 -0.000 0.000 0.280 157 V C 0.395 176.531 176.094 0.070 0.000 1.021 157 V CA -0.570 61.743 62.300 0.022 0.000 0.847 157 V CB 1.341 33.126 31.823 -0.062 0.000 0.990 157 V HN 0.623 nan 8.190 nan 0.000 0.444 158 M N 4.230 123.856 119.600 0.043 0.000 2.105 158 M HA 0.234 4.714 4.480 -0.000 0.000 0.350 158 M C 0.511 176.769 176.300 -0.070 0.000 1.308 158 M CA -0.261 55.036 55.300 -0.004 0.000 1.108 158 M CB 0.716 33.325 32.600 0.016 0.000 1.622 158 M HN 0.812 nan 8.290 nan 0.000 0.468 159 D N 1.449 121.761 120.400 -0.147 0.000 2.323 159 D HA 0.100 4.739 4.640 -0.000 0.000 0.239 159 D C 0.073 176.310 176.300 -0.104 0.000 1.129 159 D CA 0.163 54.085 54.000 -0.129 0.000 0.865 159 D CB 0.331 41.029 40.800 -0.170 0.000 0.913 159 D HN 0.476 nan 8.370 nan 0.000 0.517 160 K N -0.029 120.318 120.400 -0.089 0.000 2.569 160 K HA 0.287 4.607 4.320 -0.000 0.000 0.259 160 K C -1.654 174.914 176.600 -0.054 0.000 0.932 160 K CA -0.836 55.407 56.287 -0.073 0.000 0.833 160 K CB 2.289 34.739 32.500 -0.082 0.000 1.340 160 K HN -0.140 nan 8.250 nan 0.000 0.429 161 V N 2.748 122.635 119.914 -0.046 0.000 2.439 161 V HA 0.208 4.328 4.120 -0.000 0.000 0.271 161 V C -0.023 176.053 176.094 -0.030 0.000 1.040 161 V CA 0.053 62.336 62.300 -0.029 0.000 1.002 161 V CB 0.903 32.713 31.823 -0.022 0.000 1.000 161 V HN 0.663 nan 8.190 nan 0.000 0.477 162 S N 4.232 119.924 115.700 -0.014 0.000 2.647 162 S HA 0.419 4.889 4.470 -0.000 0.000 0.300 162 S C 0.522 175.143 174.600 0.035 0.000 1.129 162 S CA -0.630 57.571 58.200 0.001 0.000 1.029 162 S CB 1.900 65.093 63.200 -0.012 0.000 1.007 162 S HN 0.310 nan 8.310 nan 0.000 0.484 163 V N 5.452 125.415 119.914 0.081 0.000 2.270 163 V HA -0.003 4.117 4.120 -0.000 0.000 0.245 163 V C 2.704 178.934 176.094 0.227 0.000 1.043 163 V CA 2.549 64.930 62.300 0.135 0.000 1.014 163 V CB -1.305 30.619 31.823 0.168 0.000 0.645 163 V HN 0.960 nan 8.190 nan 0.000 0.447 164 G N -0.315 108.671 108.800 0.311 0.000 2.459 164 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 164 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 164 G C 1.785 176.783 174.900 0.163 0.000 1.183 164 G CA 1.227 46.646 45.100 0.532 0.000 0.776 164 G HN 0.623 nan 8.290 nan 0.000 0.552 165 A N 0.030 122.619 122.820 -0.385 0.000 1.940 165 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 165 A C 2.527 180.007 177.584 -0.173 0.000 1.176 165 A CA 2.508 54.162 52.037 -0.638 0.000 0.631 165 A CB -0.969 17.809 19.000 -0.371 0.000 0.814 165 A HN 0.320 nan 8.150 nan 0.000 0.446 166 T N -0.386 114.140 114.554 -0.046 0.000 2.746 166 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 166 T C 1.876 176.573 174.700 -0.005 0.000 1.039 166 T CA 1.578 63.675 62.100 -0.006 0.000 1.142 166 T CB -0.404 68.471 68.868 0.012 0.000 0.866 166 T HN 0.172 nan 8.240 nan 0.000 0.444 167 V N 1.377 121.301 119.914 0.018 0.000 2.295 167 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 167 V C 2.795 178.864 176.094 -0.042 0.000 1.049 167 V CA 2.022 64.274 62.300 -0.081 0.000 1.024 167 V CB -1.150 30.500 31.823 -0.288 0.000 0.648 167 V HN 0.507 nan 8.190 nan 0.000 0.447 168 T N 0.447 115.065 114.554 0.107 0.000 2.652 168 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 168 T C 1.798 176.540 174.700 0.071 0.000 1.039 168 T CA 2.134 64.335 62.100 0.169 0.000 1.153 168 T CB -0.322 68.727 68.868 0.302 0.000 0.863 168 T HN 0.343 nan 8.240 nan 0.000 0.428 169 I N 0.727 121.315 120.570 0.031 0.000 2.179 169 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 169 I C 2.619 178.739 176.117 0.004 0.000 1.088 169 I CA 1.406 62.716 61.300 0.016 0.000 1.357 169 I CB -0.422 37.584 38.000 0.011 0.000 1.051 169 I HN 0.262 nan 8.210 nan 0.000 0.409 170 M N 0.374 119.970 119.600 -0.007 0.000 2.108 170 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 170 M C 2.417 178.703 176.300 -0.024 0.000 1.066 170 M CA 1.897 57.186 55.300 -0.019 0.000 1.107 170 M CB -0.021 32.561 32.600 -0.030 0.000 1.356 170 M HN 0.130 nan 8.290 nan 0.000 0.406 171 S N 0.707 116.394 115.700 -0.022 0.000 2.355 171 S HA -0.057 4.413 4.470 -0.000 0.000 0.222 171 S C 2.029 176.631 174.600 0.002 0.000 1.031 171 S CA 1.316 59.508 58.200 -0.013 0.000 0.993 171 S CB -0.538 62.659 63.200 -0.005 0.000 0.859 171 S HN 0.697 nan 8.310 nan 0.000 0.453 172 A N 1.505 124.336 122.820 0.018 0.000 1.933 172 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 172 A C 2.302 179.883 177.584 -0.006 0.000 1.175 172 A CA 1.638 53.686 52.037 0.018 0.000 0.628 172 A CB -0.984 18.035 19.000 0.031 0.000 0.814 172 A HN 0.514 nan 8.150 nan 0.000 0.444 173 A N -0.076 122.737 122.820 -0.011 0.000 2.019 173 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 173 A C 2.341 179.906 177.584 -0.031 0.000 1.164 173 A CA 2.277 54.302 52.037 -0.021 0.000 0.644 173 A CB -1.379 17.610 19.000 -0.019 0.000 0.805 173 A HN 0.808 nan 8.150 nan 0.000 0.449 174 T N -1.880 112.653 114.554 -0.036 0.000 2.849 174 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 174 T C 1.298 175.967 174.700 -0.052 0.000 1.066 174 T CA 1.481 63.552 62.100 -0.049 0.000 1.130 174 T CB -0.369 68.462 68.868 -0.062 0.000 0.864 174 T HN 0.329 nan 8.240 nan 0.000 0.481 175 L N 0.628 121.822 121.223 -0.048 0.000 2.769 175 L HA 0.543 4.883 4.340 -0.000 0.000 0.240 175 L C 1.265 178.105 176.870 -0.050 0.000 1.163 175 L CA -0.598 54.208 54.840 -0.056 0.000 0.962 175 L CB -0.299 41.719 42.059 -0.068 0.000 1.258 175 L HN 0.305 nan 8.230 nan 0.000 0.513 176 A N 0.250 123.046 122.820 -0.041 0.000 2.287 176 A HA 0.254 4.574 4.320 -0.000 0.000 0.273 176 A C 0.084 177.646 177.584 -0.037 0.000 1.091 176 A CA -0.263 51.752 52.037 -0.037 0.000 0.817 176 A CB 0.446 19.427 19.000 -0.031 0.000 1.069 176 A HN 0.255 nan 8.150 nan 0.000 0.492 177 E N -0.005 120.175 120.200 -0.034 0.000 2.044 177 E HA 0.464 4.814 4.350 -0.000 0.000 0.282 177 E C 0.499 177.082 176.600 -0.029 0.000 1.031 177 E CA 0.772 57.153 56.400 -0.031 0.000 0.824 177 E CB 0.179 29.861 29.700 -0.029 0.000 1.076 177 E HN 1.322 nan 8.360 nan 0.000 0.395 178 G N 2.712 111.494 108.800 -0.029 0.000 2.447 178 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 178 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 178 G C -0.569 174.312 174.900 -0.031 0.000 1.261 178 G CA -0.584 44.499 45.100 -0.029 0.000 1.000 178 G HN 0.461 nan 8.290 nan 0.000 0.515 179 T N 1.077 115.611 114.554 -0.033 0.000 2.824 179 T HA 0.709 5.059 4.350 -0.000 0.000 0.280 179 T C -0.055 174.624 174.700 -0.036 0.000 0.995 179 T CA 0.206 62.283 62.100 -0.038 0.000 1.009 179 T CB 1.572 70.412 68.868 -0.047 0.000 0.955 179 T HN 0.741 nan 8.240 nan 0.000 0.452 180 T N 3.445 117.980 114.554 -0.031 0.000 2.856 180 T HA 0.660 5.010 4.350 -0.000 0.000 0.283 180 T C -0.403 174.287 174.700 -0.016 0.000 1.008 180 T CA -0.522 61.569 62.100 -0.016 0.000 0.997 180 T CB 0.716 69.578 68.868 -0.010 0.000 0.992 180 T HN 0.410 nan 8.240 nan 0.000 0.454 181 I N 3.248 123.825 120.570 0.012 0.000 2.478 181 I HA 0.438 4.608 4.170 -0.000 0.000 0.287 181 I C -0.709 175.489 176.117 0.135 0.000 1.042 181 I CA -0.773 60.543 61.300 0.027 0.000 1.067 181 I CB 1.809 39.741 38.000 -0.114 0.000 1.233 181 I HN 0.462 nan 8.210 nan 0.000 0.431 182 I N 5.900 126.524 120.570 0.090 0.000 2.307 182 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 182 I C 0.079 176.254 176.117 0.096 0.000 1.021 182 I CA -0.593 60.763 61.300 0.093 0.000 1.224 182 I CB 0.887 38.918 38.000 0.053 0.000 1.376 182 I HN 0.439 nan 8.210 nan 0.000 0.470 183 E N 4.910 125.175 120.200 0.108 0.000 2.266 183 E HA 0.112 4.462 4.350 -0.000 0.000 0.277 183 E C 0.186 176.811 176.600 0.042 0.000 1.018 183 E CA -0.341 56.107 56.400 0.079 0.000 0.840 183 E CB 1.034 30.766 29.700 0.053 0.000 1.082 183 E HN 0.556 nan 8.360 nan 0.000 0.395 184 N N 0.540 119.259 118.700 0.031 0.000 2.740 184 N HA -0.227 4.513 4.740 -0.000 0.000 0.248 184 N C -1.104 174.416 175.510 0.017 0.000 1.062 184 N CA 0.795 53.854 53.050 0.015 0.000 0.704 184 N CB -0.831 37.656 38.487 -0.000 0.000 0.968 184 N HN 0.572 nan 8.380 nan 0.000 0.547 185 A N -0.095 122.740 122.820 0.025 0.000 2.366 185 A HA 0.694 5.014 4.320 -0.000 0.000 0.249 185 A C 0.894 178.492 177.584 0.023 0.000 1.084 185 A CA 0.141 52.192 52.037 0.024 0.000 0.794 185 A CB 0.330 19.346 19.000 0.026 0.000 1.034 185 A HN 0.873 nan 8.150 nan 0.000 0.491 186 A N 0.726 123.561 122.820 0.024 0.000 2.440 186 A HA 0.501 4.821 4.320 -0.000 0.000 0.251 186 A C 0.564 178.173 177.584 0.042 0.000 1.089 186 A CA -0.292 51.766 52.037 0.034 0.000 0.779 186 A CB -0.007 19.016 19.000 0.038 0.000 1.022 186 A HN 0.725 nan 8.150 nan 0.000 0.492 187 R N 0.938 121.479 120.500 0.068 0.000 2.609 187 R HA 0.222 4.562 4.340 -0.000 0.000 0.326 187 R C -0.562 175.810 176.300 0.120 0.000 1.090 187 R CA -0.103 56.051 56.100 0.092 0.000 1.072 187 R CB 0.110 30.473 30.300 0.106 0.000 1.330 187 R HN 0.759 nan 8.270 nan 0.000 0.572 188 E N 0.760 120.983 120.200 0.038 0.000 2.392 188 E HA 0.047 4.397 4.350 -0.000 0.000 0.264 188 E C -1.555 174.941 176.600 -0.172 0.000 1.024 188 E CA -1.768 54.558 56.400 -0.123 0.000 0.903 188 E CB 0.694 30.355 29.700 -0.065 0.000 0.963 188 E HN -0.076 nan 8.360 nan 0.000 0.432 189 P HA -0.198 nan 4.420 nan 0.000 0.217 189 P C 0.244 177.487 177.300 -0.095 0.000 1.148 189 P CA 1.251 64.239 63.100 -0.186 0.000 0.834 189 P CB 0.298 31.859 31.700 -0.232 0.000 0.783 190 E N -1.107 119.036 120.200 -0.095 0.000 2.150 190 E HA -0.121 4.228 4.350 -0.000 0.000 0.193 190 E C 1.945 178.509 176.600 -0.060 0.000 0.985 190 E CA 0.772 57.137 56.400 -0.059 0.000 0.814 190 E CB -0.823 28.853 29.700 -0.040 0.000 0.752 190 E HN 0.206 nan 8.360 nan 0.000 0.466 191 I N 0.202 120.740 120.570 -0.052 0.000 2.252 191 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 191 I C 2.113 178.207 176.117 -0.038 0.000 1.102 191 I CA 0.903 62.176 61.300 -0.046 0.000 1.385 191 I CB -0.976 37.013 38.000 -0.020 0.000 1.064 191 I HN 0.020 nan 8.210 nan 0.000 0.414 192 V N 1.029 120.929 119.914 -0.023 0.000 2.295 192 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 192 V C 2.279 178.379 176.094 0.009 0.000 1.049 192 V CA 2.177 64.475 62.300 -0.003 0.000 1.024 192 V CB -0.699 31.129 31.823 0.009 0.000 0.648 192 V HN 0.308 nan 8.190 nan 0.000 0.447 193 D N -0.255 120.154 120.400 0.015 0.000 2.117 193 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 193 D C 2.277 178.542 176.300 -0.059 0.000 0.987 193 D CA 1.760 55.797 54.000 0.061 0.000 0.829 193 D CB -0.139 40.710 40.800 0.080 0.000 0.961 193 D HN 0.398 nan 8.370 nan 0.000 0.460 194 T N -0.327 114.176 114.554 -0.085 0.000 2.821 194 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 194 T C 1.907 176.563 174.700 -0.074 0.000 1.046 194 T CA 1.266 63.303 62.100 -0.105 0.000 1.139 194 T CB -0.380 68.401 68.868 -0.144 0.000 0.871 194 T HN 0.205 nan 8.240 nan 0.000 0.454 195 A N 2.679 125.457 122.820 -0.070 0.000 1.877 195 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 195 A C 2.241 179.773 177.584 -0.087 0.000 1.186 195 A CA 1.534 53.532 52.037 -0.065 0.000 0.620 195 A CB -0.657 18.319 19.000 -0.040 0.000 0.822 195 A HN 0.389 nan 8.150 nan 0.000 0.443 196 N N -0.963 117.694 118.700 -0.072 0.000 2.223 196 N HA -0.133 4.607 4.740 -0.000 0.000 0.185 196 N C 1.370 176.742 175.510 -0.230 0.000 1.016 196 N CA 1.442 54.461 53.050 -0.053 0.000 0.863 196 N CB -0.597 37.964 38.487 0.124 0.000 0.983 196 N HN 0.569 nan 8.380 nan 0.000 0.429 197 F N 1.771 121.303 119.950 -0.698 0.000 2.113 197 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 197 F C 2.003 177.592 175.800 -0.351 0.000 1.103 197 F CA 0.969 58.450 58.000 -0.864 0.000 1.248 197 F CB -0.526 37.955 39.000 -0.864 0.000 0.999 197 F HN -0.099 nan 8.300 nan 0.000 0.475 198 L N -0.402 120.559 121.223 -0.436 0.000 2.042 198 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 198 L C 2.422 179.097 176.870 -0.324 0.000 1.076 198 L CA 1.142 55.729 54.840 -0.422 0.000 0.749 198 L CB -0.954 40.988 42.059 -0.195 0.000 0.893 198 L HN 0.032 nan 8.230 nan 0.000 0.432 199 V N 0.092 119.875 119.914 -0.217 0.000 2.407 199 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 199 V C 2.715 178.724 176.094 -0.142 0.000 1.055 199 V CA 1.760 63.976 62.300 -0.139 0.000 1.049 199 V CB -0.848 30.930 31.823 -0.075 0.000 0.662 199 V HN 0.499 nan 8.190 nan 0.000 0.455 200 A N -0.472 122.241 122.820 -0.177 0.000 2.015 200 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 200 A C 2.065 179.541 177.584 -0.181 0.000 1.163 200 A CA 1.348 53.314 52.037 -0.118 0.000 0.646 200 A CB -0.415 18.571 19.000 -0.022 0.000 0.806 200 A HN 0.538 nan 8.150 nan 0.000 0.448 201 L N -1.671 119.358 121.223 -0.323 0.000 2.599 201 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 201 L C 1.668 178.436 176.870 -0.171 0.000 1.141 201 L CA 0.630 55.303 54.840 -0.278 0.000 0.877 201 L CB -0.065 41.748 42.059 -0.411 0.000 1.009 201 L HN 0.594 nan 8.230 nan 0.000 0.447 202 G N -0.668 108.044 108.800 -0.147 0.000 2.229 202 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.189 202 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.189 202 G C 0.407 175.249 174.900 -0.096 0.000 1.000 202 G CA -0.174 44.866 45.100 -0.100 0.000 0.663 202 G HN 0.407 nan 8.290 nan 0.000 0.493 203 A N 0.204 122.951 122.820 -0.122 0.000 2.406 203 A HA 0.617 4.937 4.320 -0.000 0.000 0.243 203 A C 0.449 177.986 177.584 -0.078 0.000 1.082 203 A CA 0.542 52.519 52.037 -0.101 0.000 0.786 203 A CB 0.290 19.218 19.000 -0.119 0.000 1.029 203 A HN 0.379 nan 8.150 nan 0.000 0.495 204 K N 1.233 121.595 120.400 -0.063 0.000 2.404 204 K HA 0.581 4.900 4.320 -0.000 0.000 0.257 204 K C -1.361 175.212 176.600 -0.045 0.000 1.026 204 K CA 0.286 56.544 56.287 -0.049 0.000 0.951 204 K CB 0.963 33.438 32.500 -0.042 0.000 1.203 204 K HN 0.587 nan 8.250 nan 0.000 0.446 205 I N 1.276 121.821 120.570 -0.043 0.000 2.730 205 I HA 0.351 4.521 4.170 -0.000 0.000 0.298 205 I C -0.388 175.713 176.117 -0.027 0.000 1.089 205 I CA -0.801 60.477 61.300 -0.037 0.000 1.041 205 I CB 2.381 40.356 38.000 -0.043 0.000 1.235 205 I HN 0.561 nan 8.210 nan 0.000 0.423 206 S N 1.851 117.538 115.700 -0.021 0.000 2.550 206 S HA 0.802 5.271 4.470 -0.000 0.000 0.270 206 S C 0.116 174.710 174.600 -0.010 0.000 1.145 206 S CA -0.001 58.190 58.200 -0.014 0.000 0.852 206 S CB 1.990 65.181 63.200 -0.015 0.000 1.119 206 S HN 1.402 nan 8.310 nan 0.000 0.465 207 G N 0.825 109.623 108.800 -0.004 0.000 2.194 207 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.236 207 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.236 207 G C 0.136 175.040 174.900 0.006 0.000 0.987 207 G CA 0.098 45.200 45.100 0.002 0.000 0.635 207 G HN 1.334 nan 8.290 nan 0.000 0.520 208 Q N 0.485 120.287 119.800 0.003 0.000 2.283 208 Q HA 0.372 4.712 4.340 -0.000 0.000 0.301 208 Q C 1.171 177.180 176.000 0.015 0.000 1.063 208 Q CA 1.209 57.015 55.803 0.005 0.000 0.952 208 Q CB 0.833 29.569 28.738 -0.003 0.000 1.166 208 Q HN 1.875 nan 8.270 nan 0.000 0.381 209 G N 2.254 111.068 108.800 0.023 0.000 2.213 209 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.226 209 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.226 209 G C 0.250 175.175 174.900 0.042 0.000 0.992 209 G CA 0.293 45.417 45.100 0.040 0.000 0.632 209 G HN 1.150 nan 8.290 nan 0.000 0.511 210 T N -1.582 112.989 114.554 0.029 0.000 2.919 210 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 210 T C 0.693 175.408 174.700 0.025 0.000 1.020 210 T CA 0.578 62.693 62.100 0.025 0.000 0.994 210 T CB 1.659 70.538 68.868 0.018 0.000 1.180 210 T HN 0.151 nan 8.240 nan 0.000 0.566 211 D N -1.027 119.386 120.400 0.022 0.000 2.336 211 D HA 0.112 4.752 4.640 -0.000 0.000 0.229 211 D C 0.576 176.894 176.300 0.030 0.000 1.061 211 D CA -0.191 53.824 54.000 0.024 0.000 0.875 211 D CB -0.171 40.641 40.800 0.018 0.000 0.904 211 D HN 0.601 nan 8.370 nan 0.000 0.525 212 R N 0.727 121.244 120.500 0.028 0.000 2.507 212 R HA 0.449 4.789 4.340 -0.000 0.000 0.298 212 R C -1.705 174.609 176.300 0.022 0.000 1.087 212 R CA -0.515 55.606 56.100 0.035 0.000 0.917 212 R CB 0.490 30.811 30.300 0.036 0.000 1.173 212 R HN -0.002 nan 8.270 nan 0.000 0.472 213 I N 3.644 124.228 120.570 0.023 0.000 2.377 213 I HA 0.344 4.514 4.170 -0.000 0.000 0.293 213 I C -0.321 175.797 176.117 0.002 0.000 0.987 213 I CA -0.821 60.485 61.300 0.009 0.000 1.185 213 I CB 2.384 40.388 38.000 0.007 0.000 1.341 213 I HN 0.604 nan 8.210 nan 0.000 0.455 214 T N 7.119 121.667 114.554 -0.011 0.000 2.770 214 T HA 0.627 4.977 4.350 -0.000 0.000 0.283 214 T C -0.383 174.301 174.700 -0.026 0.000 0.988 214 T CA -0.309 61.777 62.100 -0.023 0.000 0.957 214 T CB 0.968 69.816 68.868 -0.033 0.000 0.930 214 T HN 0.167 nan 8.240 nan 0.000 0.443 215 I N 2.515 123.068 120.570 -0.028 0.000 2.465 215 I HA 0.366 4.535 4.170 -0.000 0.000 0.291 215 I C 0.181 176.277 176.117 -0.035 0.000 1.014 215 I CA -0.582 60.699 61.300 -0.032 0.000 1.093 215 I CB 1.938 39.920 38.000 -0.029 0.000 1.267 215 I HN 0.542 nan 8.210 nan 0.000 0.431 216 E N 4.746 124.924 120.200 -0.037 0.000 2.102 216 E HA 0.510 4.860 4.350 -0.000 0.000 0.263 216 E C 0.129 176.706 176.600 -0.039 0.000 0.894 216 E CA -0.626 55.752 56.400 -0.037 0.000 0.746 216 E CB 1.122 30.800 29.700 -0.036 0.000 1.129 216 E HN 0.849 nan 8.360 nan 0.000 0.416 217 G N 2.322 111.099 108.800 -0.038 0.000 2.647 217 G HA2 0.260 4.220 3.960 -0.000 0.000 0.234 217 G HA3 0.260 4.220 3.960 -0.000 0.000 0.234 217 G C 0.063 174.938 174.900 -0.043 0.000 1.252 217 G CA 0.179 45.254 45.100 -0.041 0.000 0.846 217 G HN 0.448 nan 8.290 nan 0.000 0.589 218 V N -1.323 118.562 119.914 -0.048 0.000 3.130 218 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 218 V C 0.824 176.887 176.094 -0.052 0.000 1.158 218 V CA -0.765 61.507 62.300 -0.048 0.000 1.029 218 V CB 1.879 33.671 31.823 -0.052 0.000 1.057 218 V HN 0.779 nan 8.190 nan 0.000 0.436 219 E N 1.092 121.263 120.200 -0.049 0.000 2.077 219 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 219 E C 0.438 177.000 176.600 -0.063 0.000 0.989 219 E CA 1.798 58.167 56.400 -0.052 0.000 0.800 219 E CB 0.120 29.794 29.700 -0.043 0.000 0.746 219 E HN 0.767 nan 8.360 nan 0.000 0.452 220 R N -0.849 119.614 120.500 -0.062 0.000 2.716 220 R HA 0.530 4.870 4.340 -0.000 0.000 0.271 220 R C -1.381 174.879 176.300 -0.068 0.000 1.028 220 R CA -0.749 55.310 56.100 -0.069 0.000 0.883 220 R CB 0.924 31.187 30.300 -0.062 0.000 1.250 220 R HN -0.153 nan 8.270 nan 0.000 0.465 221 L N 1.085 122.265 121.223 -0.073 0.000 2.334 221 L HA 0.599 4.939 4.340 -0.000 0.000 0.276 221 L C 0.667 177.498 176.870 -0.064 0.000 1.014 221 L CA -0.651 54.139 54.840 -0.083 0.000 0.815 221 L CB 2.011 44.007 42.059 -0.106 0.000 1.268 221 L HN 1.003 nan 8.230 nan 0.000 0.428 222 G N 1.213 109.972 108.800 -0.068 0.000 3.311 222 G HA2 0.609 4.568 3.960 -0.000 0.000 0.169 222 G HA3 0.609 4.568 3.960 -0.000 0.000 0.169 222 G C 0.049 174.929 174.900 -0.033 0.000 1.852 222 G CA 0.421 45.496 45.100 -0.040 0.000 1.010 222 G HN 0.765 nan 8.290 nan 0.000 0.530 223 G N -3.153 105.634 108.800 -0.022 0.000 2.911 223 G HA2 0.707 4.667 3.960 -0.000 0.000 0.299 223 G HA3 0.707 4.667 3.960 -0.000 0.000 0.299 223 G C -0.374 174.532 174.900 0.010 0.000 1.283 223 G CA 0.164 45.269 45.100 0.007 0.000 0.805 223 G HN 1.839 nan 8.290 nan 0.000 0.548 224 G N -2.602 106.235 108.800 0.062 0.000 2.350 224 G HA2 0.504 4.464 3.960 -0.000 0.000 0.282 224 G HA3 0.504 4.464 3.960 -0.000 0.000 0.282 224 G C -2.004 172.973 174.900 0.128 0.000 1.314 224 G CA 0.185 45.332 45.100 0.078 0.000 0.915 224 G HN 1.435 nan 8.290 nan 0.000 0.499 225 V N 0.525 120.520 119.914 0.134 0.000 2.531 225 V HA 0.709 4.829 4.120 -0.000 0.000 0.301 225 V C -1.264 174.947 176.094 0.196 0.000 1.034 225 V CA -0.566 61.812 62.300 0.129 0.000 0.865 225 V CB 1.483 33.347 31.823 0.069 0.000 0.995 225 V HN 0.917 nan 8.190 nan 0.000 0.424 226 Y N 4.315 124.656 120.300 0.068 0.000 2.457 226 Y HA 0.600 5.150 4.550 -0.000 0.000 0.343 226 Y C -0.171 175.713 175.900 -0.027 0.000 0.994 226 Y CA -0.836 57.309 58.100 0.076 0.000 1.031 226 Y CB 1.702 40.318 38.460 0.261 0.000 1.246 226 Y HN 0.612 nan 8.280 nan 0.000 0.449 227 R N 5.483 125.648 120.500 -0.558 0.000 2.229 227 R HA 0.566 4.906 4.340 -0.000 0.000 0.332 227 R C -1.382 174.713 176.300 -0.341 0.000 0.989 227 R CA -0.525 55.365 56.100 -0.350 0.000 0.842 227 R CB 0.792 30.923 30.300 -0.282 0.000 1.119 227 R HN 0.621 nan 8.270 nan 0.000 0.456 228 V N 6.407 126.256 119.914 -0.108 0.000 2.763 228 V HA -0.013 4.107 4.120 -0.000 0.000 0.306 228 V C 1.035 177.101 176.094 -0.045 0.000 1.059 228 V CA -0.082 62.210 62.300 -0.013 0.000 1.138 228 V CB 0.547 32.353 31.823 -0.029 0.000 0.940 228 V HN 0.689 nan 8.190 nan 0.000 0.489 229 L N 4.733 125.954 121.223 -0.004 0.000 2.472 229 L HA 0.541 4.881 4.340 -0.000 0.000 0.260 229 L C -2.386 174.472 176.870 -0.020 0.000 1.209 229 L CA -1.666 53.163 54.840 -0.019 0.000 0.817 229 L CB -0.068 41.991 42.059 -0.000 0.000 1.106 229 L HN 0.347 nan 8.230 nan 0.000 0.479 230 P HA -0.023 nan 4.420 nan 0.000 0.267 230 P C -1.125 176.171 177.300 -0.007 0.000 1.200 230 P CA 0.068 63.166 63.100 -0.005 0.000 0.772 230 P CB 0.326 32.029 31.700 0.005 0.000 0.855 231 D N 3.017 123.416 120.400 -0.001 0.000 2.359 231 D HA -0.010 4.630 4.640 -0.000 0.000 0.250 231 D C 1.340 177.641 176.300 0.000 0.000 1.264 231 D CA -0.083 53.909 54.000 -0.015 0.000 0.911 231 D CB 0.483 41.266 40.800 -0.029 0.000 1.056 231 D HN 0.341 nan 8.370 nan 0.000 0.499 232 R N 3.629 124.121 120.500 -0.013 0.000 2.152 232 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 232 R C 1.375 177.677 176.300 0.003 0.000 1.117 232 R CA 0.595 56.693 56.100 -0.003 0.000 0.981 232 R CB -0.126 30.158 30.300 -0.026 0.000 0.870 232 R HN 0.338 nan 8.270 nan 0.000 0.451 233 I N 1.741 122.297 120.570 -0.023 0.000 2.353 233 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 233 I C 2.505 178.630 176.117 0.013 0.000 1.119 233 I CA 1.174 62.461 61.300 -0.022 0.000 1.417 233 I CB -1.192 36.770 38.000 -0.062 0.000 1.078 233 I HN 0.354 nan 8.210 nan 0.000 0.421 234 E N 0.906 121.102 120.200 -0.007 0.000 2.077 234 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 234 E C 2.033 178.776 176.600 0.238 0.000 0.989 234 E CA 1.978 58.440 56.400 0.103 0.000 0.800 234 E CB 0.184 29.960 29.700 0.127 0.000 0.746 234 E HN 0.398 nan 8.360 nan 0.000 0.452 235 T N -0.182 114.487 114.554 0.192 0.000 2.652 235 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 235 T C 1.776 176.589 174.700 0.188 0.000 1.039 235 T CA 1.366 63.593 62.100 0.213 0.000 1.153 235 T CB -0.787 68.157 68.868 0.127 0.000 0.863 235 T HN 0.412 nan 8.240 nan 0.000 0.428 236 G N 0.927 109.802 108.800 0.126 0.000 2.442 236 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 236 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 236 G C 1.706 176.674 174.900 0.113 0.000 1.141 236 G CA 1.503 46.681 45.100 0.130 0.000 0.763 236 G HN 0.469 nan 8.290 nan 0.000 0.554 237 T N 0.761 115.355 114.554 0.068 0.000 2.746 237 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 237 T C 2.038 176.652 174.700 -0.143 0.000 1.039 237 T CA 1.013 63.080 62.100 -0.054 0.000 1.142 237 T CB -0.327 68.493 68.868 -0.079 0.000 0.866 237 T HN 0.301 nan 8.240 nan 0.000 0.444 238 F N 0.761 120.764 119.950 0.089 0.000 2.259 238 F HA 0.129 4.656 4.527 -0.000 0.000 0.298 238 F C 2.087 177.907 175.800 0.032 0.000 1.088 238 F CA 0.514 58.545 58.000 0.053 0.000 1.358 238 F CB -0.393 38.645 39.000 0.064 0.000 1.040 238 F HN 0.061 nan 8.300 nan 0.000 0.505 239 L N -0.836 120.507 121.223 0.201 0.000 2.083 239 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 239 L C 2.288 179.186 176.870 0.047 0.000 1.083 239 L CA 0.639 55.554 54.840 0.125 0.000 0.752 239 L CB -0.669 41.466 42.059 0.127 0.000 0.899 239 L HN -0.024 nan 8.230 nan 0.000 0.433 240 V N -0.086 119.826 119.914 -0.002 0.000 2.515 240 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 240 V C 2.723 178.769 176.094 -0.080 0.000 1.058 240 V CA 1.532 63.762 62.300 -0.117 0.000 1.064 240 V CB -0.626 31.081 31.823 -0.194 0.000 0.675 240 V HN 0.462 nan 8.190 nan 0.000 0.461 241 A N 0.143 122.946 122.820 -0.029 0.000 1.908 241 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 241 A C 2.408 179.998 177.584 0.010 0.000 1.181 241 A CA 2.343 54.377 52.037 -0.006 0.000 0.627 241 A CB -0.717 18.323 19.000 0.066 0.000 0.818 241 A HN 0.570 nan 8.150 nan 0.000 0.445 242 A N -0.381 122.458 122.820 0.031 0.000 1.872 242 A HA 0.262 4.582 4.320 -0.000 0.000 0.214 242 A C 2.523 180.097 177.584 -0.016 0.000 1.187 242 A CA 1.854 53.900 52.037 0.014 0.000 0.614 242 A CB -1.106 17.910 19.000 0.026 0.000 0.826 242 A HN 1.127 nan 8.150 nan 0.000 0.442 243 A N 0.614 123.416 122.820 -0.030 0.000 1.986 243 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 243 A C 2.028 179.578 177.584 -0.057 0.000 1.171 243 A CA 1.673 53.681 52.037 -0.048 0.000 0.640 243 A CB -0.840 18.114 19.000 -0.076 0.000 0.811 243 A HN 1.036 nan 8.150 nan 0.000 0.451 244 I N -2.923 117.607 120.570 -0.066 0.000 3.728 244 I HA 0.109 4.279 4.170 -0.000 0.000 0.307 244 I C 1.346 177.440 176.117 -0.038 0.000 1.276 244 I CA 1.121 62.384 61.300 -0.061 0.000 1.285 244 I CB 0.209 38.163 38.000 -0.077 0.000 1.038 244 I HN 0.236 nan 8.210 nan 0.000 0.445 245 S N -0.058 115.625 115.700 -0.028 0.000 2.602 245 S HA 0.447 4.917 4.470 -0.000 0.000 0.240 245 S C 1.492 176.084 174.600 -0.013 0.000 0.992 245 S CA 0.129 58.318 58.200 -0.018 0.000 0.971 245 S CB 0.192 63.385 63.200 -0.013 0.000 0.855 245 S HN 0.717 nan 8.310 nan 0.000 0.481 246 G N 0.595 109.386 108.800 -0.015 0.000 2.180 246 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.263 246 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.263 246 G C 0.595 175.485 174.900 -0.016 0.000 0.989 246 G CA 0.183 45.278 45.100 -0.009 0.000 0.692 246 G HN 1.101 nan 8.290 nan 0.000 0.526 247 G N -0.922 107.866 108.800 -0.020 0.000 2.525 247 G HA2 0.583 4.543 3.960 -0.000 0.000 0.287 247 G HA3 0.583 4.543 3.960 -0.000 0.000 0.287 247 G C -0.148 174.726 174.900 -0.043 0.000 1.350 247 G CA 0.074 45.161 45.100 -0.023 0.000 1.039 247 G HN 0.595 nan 8.290 nan 0.000 0.513 248 K N -0.919 119.459 120.400 -0.036 0.000 2.482 248 K HA 0.639 4.959 4.320 -0.000 0.000 0.251 248 K C -1.622 174.967 176.600 -0.019 0.000 0.936 248 K CA -0.695 55.563 56.287 -0.047 0.000 0.791 248 K CB 1.980 34.444 32.500 -0.060 0.000 1.213 248 K HN 0.433 nan 8.250 nan 0.000 0.428 249 I N 2.904 123.474 120.570 -0.001 0.000 3.006 249 I HA 0.461 4.631 4.170 -0.000 0.000 0.306 249 I C -1.767 174.370 176.117 0.033 0.000 1.250 249 I CA -0.991 60.316 61.300 0.012 0.000 0.996 249 I CB 2.360 40.382 38.000 0.037 0.000 1.261 249 I HN 0.387 nan 8.210 nan 0.000 0.442 250 V N 5.053 124.978 119.914 0.019 0.000 2.525 250 V HA 0.352 4.472 4.120 -0.000 0.000 0.299 250 V C -0.739 175.386 176.094 0.052 0.000 1.034 250 V CA -0.577 61.755 62.300 0.054 0.000 0.863 250 V CB 1.439 33.246 31.823 -0.026 0.000 0.999 250 V HN 0.782 nan 8.190 nan 0.000 0.423 251 C N 6.119 125.492 119.300 0.121 0.000 2.285 251 C HA 0.628 5.088 4.460 -0.000 0.000 0.335 251 C C 0.543 175.614 174.990 0.135 0.000 1.267 251 C CA -1.053 58.020 59.018 0.092 0.000 1.762 251 C CB 0.030 27.841 27.740 0.118 0.000 2.365 251 C HN 0.737 nan 8.230 nan 0.000 0.527 252 R N 2.340 122.885 120.500 0.074 0.000 2.573 252 R HA 0.289 4.629 4.340 -0.000 0.000 0.272 252 R C 0.264 176.609 176.300 0.075 0.000 1.009 252 R CA -0.415 55.741 56.100 0.094 0.000 1.059 252 R CB 0.296 30.615 30.300 0.032 0.000 1.112 252 R HN 0.783 nan 8.270 nan 0.000 0.517 253 N N -1.254 117.495 118.700 0.083 0.000 2.754 253 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 253 N C -1.099 174.439 175.510 0.048 0.000 1.093 253 N CA 1.171 54.252 53.050 0.051 0.000 0.699 253 N CB -0.924 37.579 38.487 0.027 0.000 1.016 253 N HN 0.746 nan 8.380 nan 0.000 0.552 254 A N -0.198 122.661 122.820 0.065 0.000 2.269 254 A HA 0.710 5.030 4.320 -0.000 0.000 0.327 254 A C 0.207 177.797 177.584 0.009 0.000 1.112 254 A CA -0.384 51.680 52.037 0.045 0.000 0.865 254 A CB 1.121 20.161 19.000 0.065 0.000 1.227 254 A HN 0.219 nan 8.150 nan 0.000 0.498 255 Q N 0.596 120.394 119.800 -0.003 0.000 2.771 255 Q HA 0.306 4.646 4.340 -0.000 0.000 0.247 255 Q C -2.258 173.726 176.000 -0.027 0.000 0.986 255 Q CA -1.786 54.004 55.803 -0.022 0.000 0.713 255 Q CB 1.204 29.933 28.738 -0.015 0.000 1.241 255 Q HN 0.445 nan 8.270 nan 0.000 0.488 256 P HA -0.248 nan 4.420 nan 0.000 0.218 256 P C 0.641 177.925 177.300 -0.028 0.000 1.154 256 P CA 1.804 64.869 63.100 -0.060 0.000 0.872 256 P CB 0.177 31.800 31.700 -0.129 0.000 0.790 257 D N -1.339 119.046 120.400 -0.024 0.000 2.384 257 D HA -0.125 4.515 4.640 -0.000 0.000 0.222 257 D C 1.180 177.508 176.300 0.046 0.000 0.976 257 D CA 1.556 55.557 54.000 0.003 0.000 0.915 257 D CB -1.565 39.235 40.800 0.001 0.000 0.896 257 D HN 0.259 nan 8.370 nan 0.000 0.523 258 T N -2.667 111.912 114.554 0.040 0.000 3.107 258 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 258 T C 1.201 175.959 174.700 0.096 0.000 1.096 258 T CA -0.280 61.864 62.100 0.074 0.000 1.012 258 T CB -0.307 68.557 68.868 -0.007 0.000 0.977 258 T HN 0.203 nan 8.240 nan 0.000 0.527 259 L N 0.572 121.828 121.223 0.056 0.000 3.289 259 L HA 0.364 4.704 4.340 -0.000 0.000 0.291 259 L C 0.839 177.722 176.870 0.022 0.000 1.279 259 L CA -0.326 54.534 54.840 0.033 0.000 1.025 259 L CB 0.519 42.594 42.059 0.027 0.000 1.413 259 L HN -0.006 nan 8.230 nan 0.000 0.593 260 D N 1.612 122.023 120.400 0.018 0.000 2.106 260 D HA -0.237 4.403 4.640 -0.000 0.000 0.191 260 D C 2.148 178.453 176.300 0.008 0.000 0.997 260 D CA 1.832 55.834 54.000 0.004 0.000 0.834 260 D CB 0.195 40.986 40.800 -0.015 0.000 0.956 260 D HN 0.404 nan 8.370 nan 0.000 0.448 261 A N 0.766 123.579 122.820 -0.011 0.000 1.883 261 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 261 A C 2.635 180.244 177.584 0.042 0.000 1.186 261 A CA 1.658 53.701 52.037 0.011 0.000 0.624 261 A CB -0.872 18.123 19.000 -0.007 0.000 0.822 261 A HN 0.162 nan 8.150 nan 0.000 0.444 262 V N 0.229 120.128 119.914 -0.025 0.000 2.295 262 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 262 V C 2.575 178.769 176.094 0.167 0.000 1.049 262 V CA 1.963 64.277 62.300 0.023 0.000 1.024 262 V CB -0.782 31.031 31.823 -0.016 0.000 0.648 262 V HN 0.568 nan 8.190 nan 0.000 0.447 263 L N 0.037 121.326 121.223 0.109 0.000 2.083 263 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 263 L C 2.731 179.670 176.870 0.115 0.000 1.083 263 L CA 1.520 56.428 54.840 0.114 0.000 0.752 263 L CB -0.861 41.236 42.059 0.064 0.000 0.899 263 L HN 0.376 nan 8.230 nan 0.000 0.433 264 A N -0.059 122.817 122.820 0.093 0.000 1.902 264 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 264 A C 2.298 179.950 177.584 0.114 0.000 1.181 264 A CA 1.670 53.756 52.037 0.082 0.000 0.623 264 A CB -0.311 18.723 19.000 0.056 0.000 0.818 264 A HN 0.153 nan 8.150 nan 0.000 0.443 265 K N -0.148 120.344 120.400 0.154 0.000 2.097 265 K HA 0.099 4.419 4.320 -0.000 0.000 0.205 265 K C 1.763 178.545 176.600 0.304 0.000 1.050 265 K CA 0.949 57.358 56.287 0.203 0.000 0.938 265 K CB -0.500 32.098 32.500 0.162 0.000 0.718 265 K HN 0.502 nan 8.250 nan 0.000 0.442 266 L N 0.105 121.531 121.223 0.339 0.000 2.083 266 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 266 L C 2.333 179.294 176.870 0.153 0.000 1.083 266 L CA 1.271 56.266 54.840 0.258 0.000 0.752 266 L CB -0.277 41.914 42.059 0.220 0.000 0.899 266 L HN 0.165 nan 8.230 nan 0.000 0.433 267 R N -0.043 120.535 120.500 0.131 0.000 2.096 267 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 267 R C 2.095 178.448 176.300 0.089 0.000 1.127 267 R CA 1.242 57.399 56.100 0.096 0.000 0.968 267 R CB -0.255 30.093 30.300 0.080 0.000 0.861 267 R HN 0.441 nan 8.270 nan 0.000 0.440 268 E N 0.349 120.607 120.200 0.098 0.000 2.204 268 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 268 E C 1.666 178.315 176.600 0.082 0.000 0.990 268 E CA 1.032 57.481 56.400 0.081 0.000 0.821 268 E CB 0.025 29.773 29.700 0.080 0.000 0.750 268 E HN 0.338 nan 8.360 nan 0.000 0.477 269 A N -0.269 122.612 122.820 0.102 0.000 2.206 269 A HA 0.192 4.512 4.320 -0.000 0.000 0.211 269 A C 1.655 179.274 177.584 0.058 0.000 1.158 269 A CA 0.972 53.056 52.037 0.079 0.000 0.761 269 A CB -0.043 19.007 19.000 0.084 0.000 0.801 269 A HN 0.351 nan 8.150 nan 0.000 0.473 270 G N -2.465 106.375 108.800 0.066 0.000 2.168 270 G HA2 0.178 4.138 3.960 -0.000 0.000 0.197 270 G HA3 0.178 4.138 3.960 -0.000 0.000 0.197 270 G C 0.327 175.270 174.900 0.071 0.000 0.997 270 G CA 0.077 45.215 45.100 0.064 0.000 0.658 270 G HN 1.454 nan 8.290 nan 0.000 0.513 271 A N 0.153 123.012 122.820 0.066 0.000 2.388 271 A HA 0.570 4.890 4.320 -0.000 0.000 0.257 271 A C 0.127 177.753 177.584 0.072 0.000 1.095 271 A CA 0.578 52.648 52.037 0.055 0.000 0.791 271 A CB 0.579 19.609 19.000 0.050 0.000 1.029 271 A HN 0.550 nan 8.150 nan 0.000 0.489 272 D N 2.039 122.474 120.400 0.059 0.000 2.428 272 D HA 0.454 5.094 4.640 -0.000 0.000 0.221 272 D C -0.562 175.780 176.300 0.071 0.000 1.123 272 D CA 0.061 54.119 54.000 0.098 0.000 0.869 272 D CB -0.066 40.847 40.800 0.189 0.000 1.032 272 D HN 0.353 nan 8.370 nan 0.000 0.506 273 I N 2.613 123.231 120.570 0.081 0.000 2.441 273 I HA 0.428 4.598 4.170 -0.000 0.000 0.295 273 I C 0.169 176.338 176.117 0.086 0.000 0.994 273 I CA -0.834 60.516 61.300 0.082 0.000 1.144 273 I CB 1.861 39.904 38.000 0.071 0.000 1.314 273 I HN 0.274 nan 8.210 nan 0.000 0.445 274 E N 2.702 122.970 120.200 0.113 0.000 2.331 274 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 274 E C -1.160 175.421 176.600 -0.032 0.000 0.895 274 E CA -0.574 55.886 56.400 0.101 0.000 0.753 274 E CB 2.482 32.317 29.700 0.225 0.000 1.216 274 E HN 0.689 nan 8.360 nan 0.000 0.434 275 T N -0.729 113.646 114.554 -0.298 0.000 2.924 275 T HA 0.881 5.230 4.350 -0.000 0.000 0.291 275 T C 0.230 174.214 174.700 -1.194 0.000 1.045 275 T CA -0.639 61.022 62.100 -0.731 0.000 1.015 275 T CB 1.874 70.510 68.868 -0.385 0.000 1.103 275 T HN 0.445 nan 8.240 nan 0.000 0.496 276 G N -0.065 107.665 108.800 -1.783 0.000 3.251 276 G HA2 0.488 4.448 3.960 -0.000 0.000 0.248 276 G HA3 0.488 4.448 3.960 -0.000 0.000 0.248 276 G C 0.254 174.747 174.900 -0.678 0.000 1.320 276 G CA -0.486 43.800 45.100 -1.355 0.000 0.982 276 G HN 0.702 nan 8.290 nan 0.000 0.575 277 E N -0.349 119.664 120.200 -0.313 0.000 2.072 277 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 277 E C 0.864 177.390 176.600 -0.123 0.000 0.985 277 E CA 2.027 58.345 56.400 -0.137 0.000 0.801 277 E CB 0.160 29.854 29.700 -0.011 0.000 0.750 277 E HN 0.471 nan 8.360 nan 0.000 0.452 278 D N -1.181 119.171 120.400 -0.080 0.000 2.785 278 D HA 0.072 4.712 4.640 -0.000 0.000 0.324 278 D C -0.529 175.844 176.300 0.121 0.000 1.523 278 D CA -0.579 53.429 54.000 0.014 0.000 0.789 278 D CB -0.900 39.947 40.800 0.077 0.000 1.171 278 D HN 0.300 nan 8.370 nan 0.000 0.447 279 W N -0.143 121.161 121.300 0.006 0.000 3.137 279 W HA 0.674 5.334 4.660 -0.000 0.000 0.324 279 W C -2.116 174.411 176.519 0.014 0.000 1.253 279 W CA -1.267 56.082 57.345 0.007 0.000 1.183 279 W CB 0.462 29.922 29.460 0.001 0.000 1.424 279 W HN -0.279 nan 8.180 nan 0.000 0.566 280 I N 2.870 123.642 120.570 0.336 0.000 2.619 280 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 280 I C -0.248 176.099 176.117 0.384 0.000 1.100 280 I CA -0.758 60.666 61.300 0.206 0.000 1.043 280 I CB 2.608 40.658 38.000 0.084 0.000 1.239 280 I HN 0.460 nan 8.210 nan 0.000 0.420 281 S N 6.710 122.639 115.700 0.381 0.000 2.526 281 S HA 0.835 5.305 4.470 -0.000 0.000 0.293 281 S C -1.100 173.595 174.600 0.157 0.000 1.092 281 S CA -0.728 57.636 58.200 0.273 0.000 0.980 281 S CB 2.264 65.650 63.200 0.309 0.000 1.048 281 S HN 0.648 nan 8.310 nan 0.000 0.483 282 L N 2.250 123.527 121.223 0.089 0.000 2.410 282 L HA 0.684 5.023 4.340 -0.000 0.000 0.270 282 L C -1.922 174.932 176.870 -0.027 0.000 0.983 282 L CA -0.305 54.560 54.840 0.042 0.000 0.822 282 L CB 1.898 43.988 42.059 0.051 0.000 1.285 282 L HN 0.842 nan 8.230 nan 0.000 0.409 283 D N 4.845 125.181 120.400 -0.107 0.000 2.696 283 D HA 0.285 4.925 4.640 -0.000 0.000 0.251 283 D C 0.221 176.307 176.300 -0.357 0.000 1.188 283 D CA -0.425 53.404 54.000 -0.284 0.000 0.876 283 D CB 1.926 42.444 40.800 -0.471 0.000 1.334 283 D HN 0.487 nan 8.370 nan 0.000 0.540 284 M N 1.600 121.059 119.600 -0.235 0.000 2.509 284 M HA 0.026 4.506 4.480 -0.000 0.000 0.250 284 M C 0.135 176.411 176.300 -0.040 0.000 1.132 284 M CA 0.284 55.520 55.300 -0.107 0.000 1.080 284 M CB -0.664 31.912 32.600 -0.040 0.000 1.408 284 M HN 0.490 nan 8.290 nan 0.000 0.484 285 H N 0.051 119.132 119.070 0.018 0.000 2.770 285 H HA -0.152 4.404 4.556 -0.000 0.000 0.309 285 H C 1.300 176.634 175.328 0.011 0.000 1.206 285 H CA 0.913 56.970 56.048 0.015 0.000 1.147 285 H CB -2.247 27.525 29.762 0.017 0.000 1.422 285 H HN 0.636 nan 8.280 nan 0.000 0.420 286 G N -0.269 108.572 108.800 0.068 0.000 2.166 286 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 286 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 286 G C 0.411 175.337 174.900 0.042 0.000 0.986 286 G CA 0.989 46.116 45.100 0.045 0.000 0.683 286 G HN 0.552 nan 8.290 nan 0.000 0.527 287 K N -0.090 120.341 120.400 0.053 0.000 2.144 287 K HA 0.456 4.776 4.320 -0.000 0.000 0.270 287 K C 0.785 177.398 176.600 0.022 0.000 1.005 287 K CA -0.774 55.539 56.287 0.043 0.000 0.932 287 K CB 1.036 33.574 32.500 0.064 0.000 1.021 287 K HN 0.282 nan 8.250 nan 0.000 0.462 288 R N 3.319 123.829 120.500 0.017 0.000 2.490 288 R HA 0.167 4.506 4.340 -0.000 0.000 0.280 288 R C -2.160 174.145 176.300 0.008 0.000 1.077 288 R CA -1.365 54.739 56.100 0.006 0.000 1.065 288 R CB 0.490 30.793 30.300 0.005 0.000 1.003 288 R HN 0.395 nan 8.270 nan 0.000 0.470 289 P HA 0.074 nan 4.420 nan 0.000 0.272 289 P C -1.256 176.050 177.300 0.010 0.000 1.223 289 P CA -0.126 62.974 63.100 0.001 0.000 0.784 289 P CB 0.762 32.448 31.700 -0.024 0.000 0.923 290 K N 1.048 121.461 120.400 0.022 0.000 2.172 290 K HA 0.477 4.797 4.320 -0.000 0.000 0.276 290 K C 0.253 176.870 176.600 0.030 0.000 1.013 290 K CA -0.630 55.673 56.287 0.027 0.000 0.913 290 K CB 1.335 33.855 32.500 0.034 0.000 1.055 290 K HN 0.556 nan 8.250 nan 0.000 0.461 291 A N 2.257 125.092 122.820 0.024 0.000 2.531 291 A HA 0.266 4.586 4.320 -0.000 0.000 0.236 291 A C 0.368 177.971 177.584 0.033 0.000 1.062 291 A CA -0.235 51.816 52.037 0.023 0.000 0.760 291 A CB -0.075 18.932 19.000 0.012 0.000 0.995 291 A HN 0.544 nan 8.150 nan 0.000 0.501 292 V N -0.306 119.634 119.914 0.044 0.000 3.074 292 V HA 0.876 4.996 4.120 -0.000 0.000 0.314 292 V C -0.094 175.999 176.094 -0.001 0.000 1.117 292 V CA -0.606 61.720 62.300 0.043 0.000 1.014 292 V CB 1.773 33.657 31.823 0.102 0.000 1.057 292 V HN 0.769 nan 8.190 nan 0.000 0.438 293 T N 1.896 116.431 114.554 -0.031 0.000 2.779 293 T HA 0.732 5.082 4.350 -0.000 0.000 0.280 293 T C -0.572 174.042 174.700 -0.143 0.000 0.987 293 T CA -0.262 61.796 62.100 -0.070 0.000 0.966 293 T CB 1.293 70.132 68.868 -0.048 0.000 0.933 293 T HN 0.747 nan 8.240 nan 0.000 0.442 294 V N 3.643 123.430 119.914 -0.211 0.000 2.823 294 V HA 0.671 4.791 4.120 -0.000 0.000 0.312 294 V C -0.217 175.719 176.094 -0.263 0.000 1.072 294 V CA -1.035 61.028 62.300 -0.395 0.000 0.937 294 V CB 2.281 33.627 31.823 -0.795 0.000 1.013 294 V HN 0.743 nan 8.190 nan 0.000 0.430 295 R N 2.070 122.430 120.500 -0.234 0.000 2.539 295 R HA 0.448 4.788 4.340 -0.000 0.000 0.295 295 R C -0.191 176.097 176.300 -0.020 0.000 1.138 295 R CA -0.288 55.758 56.100 -0.089 0.000 0.936 295 R CB 1.583 31.855 30.300 -0.048 0.000 1.182 295 R HN 0.964 nan 8.270 nan 0.000 0.459 296 T N 0.977 115.559 114.554 0.048 0.000 2.900 296 T HA 0.657 5.007 4.350 -0.000 0.000 0.307 296 T C 0.226 174.978 174.700 0.086 0.000 1.065 296 T CA -0.046 62.158 62.100 0.173 0.000 1.105 296 T CB 1.563 70.547 68.868 0.192 0.000 0.979 296 T HN 0.686 nan 8.240 nan 0.000 0.544 297 A N 2.522 125.394 122.820 0.086 0.000 2.515 297 A HA 0.714 5.034 4.320 -0.000 0.000 0.292 297 A C -3.152 174.450 177.584 0.030 0.000 1.065 297 A CA -1.660 50.395 52.037 0.029 0.000 0.641 297 A CB 0.130 19.141 19.000 0.018 0.000 1.306 297 A HN 0.658 nan 8.150 nan 0.000 0.441 298 P HA 0.263 nan 4.420 nan 0.000 0.269 298 P C -0.350 176.984 177.300 0.057 0.000 1.217 298 P CA 0.337 63.456 63.100 0.033 0.000 0.783 298 P CB 0.159 31.868 31.700 0.015 0.000 0.898 299 H N 3.757 122.821 119.070 -0.009 0.000 2.948 299 H HA 0.017 4.573 4.556 -0.000 0.000 0.351 299 H C -1.206 174.117 175.328 -0.008 0.000 1.079 299 H CA -0.681 55.359 56.048 -0.012 0.000 1.407 299 H CB 0.214 29.970 29.762 -0.012 0.000 1.373 299 H HN 0.317 nan 8.280 nan 0.000 0.605 300 P HA 0.122 nan 4.420 nan 0.000 0.255 300 P C -0.368 176.704 177.300 -0.379 0.000 1.301 300 P CA 0.200 62.687 63.100 -1.021 0.000 0.817 300 P CB -0.083 31.189 31.700 -0.713 0.000 1.259 301 A N 0.488 123.209 122.820 -0.165 0.000 2.262 301 A HA 0.245 4.565 4.320 -0.000 0.000 0.273 301 A C -0.208 177.386 177.584 0.017 0.000 1.202 301 A CA -0.555 51.458 52.037 -0.040 0.000 0.811 301 A CB -0.563 18.438 19.000 0.002 0.000 1.159 301 A HN 0.176 nan 8.150 nan 0.000 0.505 302 F N 1.828 121.734 119.950 -0.074 0.000 2.571 302 F HA 0.272 4.799 4.527 -0.000 0.000 0.384 302 F C -1.631 174.145 175.800 -0.040 0.000 1.058 302 F CA -1.495 56.450 58.000 -0.091 0.000 1.200 302 F CB 0.576 39.486 39.000 -0.150 0.000 1.077 302 F HN 0.260 nan 8.300 nan 0.000 0.558 303 P HA -0.023 nan 4.420 nan 0.000 0.276 303 P C 0.283 177.562 177.300 -0.035 0.000 1.230 303 P CA -0.062 62.938 63.100 -0.166 0.000 0.776 303 P CB 1.551 33.127 31.700 -0.206 0.000 0.888 304 T N 2.059 116.688 114.554 0.125 0.000 2.915 304 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 304 T C 1.707 176.516 174.700 0.181 0.000 1.071 304 T CA 1.552 63.783 62.100 0.219 0.000 1.132 304 T CB -0.581 68.439 68.868 0.254 0.000 0.878 304 T HN 0.442 nan 8.240 nan 0.000 0.479 305 A N 0.562 123.443 122.820 0.101 0.000 2.216 305 A HA 0.186 4.506 4.320 -0.000 0.000 0.214 305 A C 2.027 179.644 177.584 0.054 0.000 1.160 305 A CA 0.837 52.911 52.037 0.062 0.000 0.725 305 A CB -0.332 18.684 19.000 0.027 0.000 0.784 305 A HN 0.505 nan 8.150 nan 0.000 0.472 306 M N -1.164 118.461 119.600 0.042 0.000 2.313 306 M HA 0.088 4.568 4.480 -0.000 0.000 0.273 306 M C 1.813 178.363 176.300 0.416 0.000 1.049 306 M CA 0.338 55.704 55.300 0.110 0.000 1.004 306 M CB -0.092 32.375 32.600 -0.221 0.000 1.461 306 M HN 0.599 nan 8.290 nan 0.000 0.514 307 Q N 1.035 121.095 119.800 0.433 0.000 2.061 307 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 307 Q C 1.763 177.940 176.000 0.295 0.000 0.984 307 Q CA 2.209 58.287 55.803 0.458 0.000 0.846 307 Q CB 0.040 29.006 28.738 0.381 0.000 0.902 307 Q HN 0.451 nan 8.270 nan 0.000 0.421 308 A N 0.679 123.535 122.820 0.059 0.000 1.883 308 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 308 A C 2.024 179.550 177.584 -0.096 0.000 1.186 308 A CA 1.936 53.749 52.037 -0.374 0.000 0.624 308 A CB -0.641 17.973 19.000 -0.642 0.000 0.822 308 A HN 0.502 nan 8.150 nan 0.000 0.444 309 Q N -1.223 118.603 119.800 0.043 0.000 2.096 309 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 309 Q C 1.653 177.704 176.000 0.085 0.000 0.982 309 Q CA 1.770 57.606 55.803 0.055 0.000 0.850 309 Q CB -0.468 28.324 28.738 0.091 0.000 0.901 309 Q HN 0.692 nan 8.270 nan 0.000 0.422 310 F N -0.079 119.946 119.950 0.124 0.000 2.407 310 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 310 F C 2.087 177.923 175.800 0.060 0.000 1.097 310 F CA 1.015 59.086 58.000 0.118 0.000 1.422 310 F CB -0.197 38.911 39.000 0.181 0.000 1.067 310 F HN 0.019 nan 8.300 nan 0.000 0.539 311 T N 0.459 115.153 114.554 0.232 0.000 2.777 311 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 311 T C 2.028 176.780 174.700 0.087 0.000 1.040 311 T CA 1.255 63.456 62.100 0.168 0.000 1.141 311 T CB -0.489 68.576 68.868 0.328 0.000 0.868 311 T HN 0.146 nan 8.240 nan 0.000 0.444 312 L N 1.436 122.701 121.223 0.070 0.000 1.989 312 L HA 0.032 4.372 4.340 -0.000 0.000 0.211 312 L C 2.241 179.091 176.870 -0.033 0.000 1.071 312 L CA 1.575 56.422 54.840 0.012 0.000 0.749 312 L CB -1.008 41.043 42.059 -0.015 0.000 0.890 312 L HN 0.264 nan 8.230 nan 0.000 0.431 313 L N -0.300 120.876 121.223 -0.078 0.000 2.013 313 L HA -0.306 4.034 4.340 -0.000 0.000 0.212 313 L C 2.275 179.111 176.870 -0.057 0.000 1.073 313 L CA 2.013 56.781 54.840 -0.120 0.000 0.753 313 L CB -0.574 41.316 42.059 -0.281 0.000 0.890 313 L HN 0.425 nan 8.230 nan 0.000 0.432 314 N N -0.064 118.626 118.700 -0.017 0.000 2.166 314 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 314 N C 1.830 177.323 175.510 -0.028 0.000 1.019 314 N CA 1.403 54.447 53.050 -0.011 0.000 0.856 314 N CB -0.403 38.082 38.487 -0.004 0.000 0.993 314 N HN 0.378 nan 8.380 nan 0.000 0.426 315 L N 0.462 121.666 121.223 -0.032 0.000 2.353 315 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 315 L C 1.336 178.176 176.870 -0.050 0.000 1.133 315 L CA 0.635 55.449 54.840 -0.043 0.000 0.798 315 L CB -0.102 41.933 42.059 -0.040 0.000 0.922 315 L HN 0.095 nan 8.230 nan 0.000 0.445 316 V N -4.808 115.080 119.914 -0.043 0.000 3.159 316 V HA 0.552 4.672 4.120 -0.000 0.000 0.333 316 V C 0.616 176.692 176.094 -0.030 0.000 1.424 316 V CA -0.267 62.007 62.300 -0.043 0.000 1.125 316 V CB -0.236 31.561 31.823 -0.045 0.000 1.075 316 V HN 0.098 nan 8.190 nan 0.000 0.482 317 A N 0.576 123.383 122.820 -0.022 0.000 2.248 317 A HA 0.785 5.105 4.320 -0.000 0.000 0.316 317 A C -0.090 177.496 177.584 0.003 0.000 1.101 317 A CA -0.553 51.478 52.037 -0.010 0.000 0.875 317 A CB 1.098 20.094 19.000 -0.007 0.000 1.207 317 A HN 0.459 nan 8.150 nan 0.000 0.504 318 E N -0.174 120.032 120.200 0.010 0.000 2.105 318 E HA 0.481 4.831 4.350 -0.000 0.000 0.285 318 E C 0.407 177.022 176.600 0.024 0.000 1.055 318 E CA 1.300 57.711 56.400 0.018 0.000 0.843 318 E CB -0.114 29.597 29.700 0.018 0.000 1.067 318 E HN 1.609 nan 8.360 nan 0.000 0.398 319 G N 2.729 111.550 108.800 0.035 0.000 2.422 319 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.607 319 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.607 319 G C -0.702 174.228 174.900 0.050 0.000 1.270 319 G CA -0.503 44.623 45.100 0.042 0.000 0.992 319 G HN 0.480 nan 8.290 nan 0.000 0.499 320 T N 1.234 115.816 114.554 0.047 0.000 2.753 320 T HA 0.628 4.978 4.350 -0.000 0.000 0.297 320 T C 0.693 175.376 174.700 -0.028 0.000 0.981 320 T CA 0.556 62.668 62.100 0.021 0.000 0.956 320 T CB 1.090 70.001 68.868 0.072 0.000 0.936 320 T HN 1.391 nan 8.240 nan 0.000 0.463 321 G N 1.870 110.630 108.800 -0.066 0.000 2.371 321 G HA2 0.599 4.559 3.960 -0.000 0.000 0.326 321 G HA3 0.599 4.559 3.960 -0.000 0.000 0.326 321 G C -0.944 173.899 174.900 -0.094 0.000 1.127 321 G CA -0.469 44.597 45.100 -0.058 0.000 0.885 321 G HN 0.625 nan 8.290 nan 0.000 0.477 322 V N 2.940 122.810 119.914 -0.074 0.000 2.487 322 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 322 V C -0.251 175.799 176.094 -0.073 0.000 1.028 322 V CA -0.551 61.700 62.300 -0.081 0.000 0.860 322 V CB 1.462 33.250 31.823 -0.059 0.000 0.991 322 V HN 0.621 nan 8.190 nan 0.000 0.427 323 I N 3.590 124.119 120.570 -0.068 0.000 2.406 323 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 323 I C -0.187 175.975 176.117 0.076 0.000 0.999 323 I CA -0.199 61.083 61.300 -0.030 0.000 1.124 323 I CB 2.218 40.218 38.000 0.000 0.000 1.289 323 I HN 0.507 nan 8.210 nan 0.000 0.441 324 T N 4.200 118.794 114.554 0.066 0.000 2.791 324 T HA 0.261 4.611 4.350 -0.000 0.000 0.288 324 T C -0.421 174.346 174.700 0.112 0.000 0.999 324 T CA -0.490 61.682 62.100 0.120 0.000 0.952 324 T CB 1.350 70.245 68.868 0.044 0.000 0.938 324 T HN 0.438 nan 8.240 nan 0.000 0.444 325 E N 2.168 122.453 120.200 0.143 0.000 2.146 325 E HA 0.369 4.719 4.350 -0.000 0.000 0.282 325 E C 0.886 177.469 176.600 -0.028 0.000 0.989 325 E CA -0.532 55.888 56.400 0.032 0.000 0.799 325 E CB 0.733 30.352 29.700 -0.134 0.000 1.088 325 E HN 0.651 nan 8.360 nan 0.000 0.397 326 T N 2.117 116.657 114.554 -0.023 0.000 3.044 326 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 326 T C 1.065 175.696 174.700 -0.116 0.000 1.019 326 T CA -0.180 61.886 62.100 -0.057 0.000 0.921 326 T CB -0.013 68.832 68.868 -0.039 0.000 1.053 326 T HN 0.400 nan 8.240 nan 0.000 0.533 327 I N -0.209 120.268 120.570 -0.155 0.000 2.729 327 I HA 0.409 4.579 4.170 -0.000 0.000 0.256 327 I C 0.091 175.847 176.117 -0.602 0.000 1.115 327 I CA 0.023 61.092 61.300 -0.386 0.000 1.446 327 I CB -0.558 37.183 38.000 -0.432 0.000 1.176 327 I HN 0.203 nan 8.210 nan 0.000 0.446 328 F N 2.331 122.241 119.950 -0.066 0.000 2.482 328 F HA 0.243 4.770 4.527 -0.000 0.000 0.331 328 F C 1.626 177.346 175.800 -0.133 0.000 1.115 328 F CA -0.792 57.158 58.000 -0.083 0.000 0.955 328 F CB 1.290 40.248 39.000 -0.071 0.000 1.136 328 F HN -0.005 nan 8.300 nan 0.000 0.452 329 E N 0.952 121.192 120.200 0.067 0.000 2.204 329 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 329 E C 0.095 176.655 176.600 -0.068 0.000 0.990 329 E CA 1.260 57.646 56.400 -0.024 0.000 0.821 329 E CB -0.228 29.468 29.700 -0.006 0.000 0.750 329 E HN 0.601 nan 8.360 nan 0.000 0.477 330 N N 0.157 118.836 118.700 -0.035 0.000 2.696 330 N HA 0.130 4.870 4.740 -0.000 0.000 0.308 330 N C -0.611 174.856 175.510 -0.071 0.000 1.915 330 N CA -0.284 52.728 53.050 -0.063 0.000 0.906 330 N CB 0.398 38.873 38.487 -0.019 0.000 1.284 330 N HN -0.051 nan 8.380 nan 0.000 0.488 331 R N 0.804 121.204 120.500 -0.167 0.000 2.935 331 R HA 0.305 4.645 4.340 -0.000 0.000 0.354 331 R C -0.550 175.841 176.300 0.153 0.000 1.206 331 R CA -0.021 56.054 56.100 -0.042 0.000 1.082 331 R CB -0.170 30.129 30.300 -0.001 0.000 1.431 331 R HN 0.363 nan 8.270 nan 0.000 0.582 332 F N -0.338 119.658 119.950 0.076 0.000 2.735 332 F HA 0.157 4.684 4.527 -0.000 0.000 0.308 332 F C 1.304 176.974 175.800 -0.216 0.000 1.112 332 F CA -0.490 57.447 58.000 -0.105 0.000 1.235 332 F CB 0.688 39.630 39.000 -0.097 0.000 1.027 332 F HN 0.087 nan 8.300 nan 0.000 0.528 333 M N 0.216 119.903 119.600 0.145 0.000 2.358 333 M HA -0.191 4.289 4.480 -0.000 0.000 0.264 333 M C 2.361 178.683 176.300 0.036 0.000 1.064 333 M CA 1.335 56.675 55.300 0.066 0.000 1.093 333 M CB -0.559 32.075 32.600 0.056 0.000 1.401 333 M HN 0.315 nan 8.290 nan 0.000 0.440 334 H N -1.222 117.877 119.070 0.048 0.000 2.470 334 H HA 0.059 4.615 4.556 -0.000 0.000 0.289 334 H C 2.057 177.392 175.328 0.012 0.000 1.033 334 H CA 0.966 57.024 56.048 0.017 0.000 1.331 334 H CB -1.200 28.573 29.762 0.019 0.000 1.414 334 H HN 0.217 nan 8.280 nan 0.000 0.545 335 V N 2.516 122.147 119.914 -0.473 0.000 2.252 335 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 335 V C -0.265 175.757 176.094 -0.121 0.000 1.056 335 V CA 2.423 64.544 62.300 -0.298 0.000 1.022 335 V CB -1.422 30.182 31.823 -0.365 0.000 0.641 335 V HN 0.409 nan 8.190 nan 0.000 0.445 336 P HA -0.107 nan 4.420 nan 0.000 0.218 336 P C 1.548 178.839 177.300 -0.015 0.000 1.149 336 P CA 1.108 64.188 63.100 -0.035 0.000 0.817 336 P CB 0.000 31.689 31.700 -0.019 0.000 0.785 337 E N -0.421 119.773 120.200 -0.010 0.000 2.046 337 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 337 E C 2.110 178.714 176.600 0.007 0.000 0.982 337 E CA 0.921 57.325 56.400 0.006 0.000 0.800 337 E CB -0.954 28.756 29.700 0.018 0.000 0.756 337 E HN 0.308 nan 8.360 nan 0.000 0.449 338 L N 0.609 121.836 121.223 0.006 0.000 2.131 338 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 338 L C 2.466 179.333 176.870 -0.005 0.000 1.092 338 L CA 0.622 55.465 54.840 0.004 0.000 0.759 338 L CB -0.339 41.727 42.059 0.010 0.000 0.903 338 L HN 0.077 nan 8.230 nan 0.000 0.435 339 I N -0.525 120.043 120.570 -0.003 0.000 2.361 339 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 339 I C 2.630 178.760 176.117 0.023 0.000 1.133 339 I CA 1.079 62.389 61.300 0.017 0.000 1.413 339 I CB -0.250 37.762 38.000 0.020 0.000 1.073 339 I HN 0.209 nan 8.210 nan 0.000 0.424 340 R N 0.273 120.781 120.500 0.013 0.000 2.152 340 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 340 R C 1.879 178.186 176.300 0.011 0.000 1.117 340 R CA 1.136 57.245 56.100 0.015 0.000 0.981 340 R CB -0.128 30.180 30.300 0.012 0.000 0.870 340 R HN 0.352 nan 8.270 nan 0.000 0.451 341 M N -0.705 118.897 119.600 0.004 0.000 2.568 341 M HA 0.136 4.616 4.480 -0.000 0.000 0.226 341 M C 0.670 176.959 176.300 -0.019 0.000 1.148 341 M CA 0.486 55.783 55.300 -0.005 0.000 1.007 341 M CB 1.139 33.734 32.600 -0.009 0.000 1.651 341 M HN 0.434 nan 8.290 nan 0.000 0.488 342 G N 0.310 109.104 108.800 -0.010 0.000 2.176 342 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.232 342 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.232 342 G C 0.178 174.989 174.900 -0.147 0.000 0.986 342 G CA -0.056 45.023 45.100 -0.033 0.000 0.643 342 G HN 0.656 nan 8.290 nan 0.000 0.522 343 A N 0.068 122.828 122.820 -0.101 0.000 2.386 343 A HA 0.670 4.990 4.320 -0.000 0.000 0.248 343 A C 0.028 177.602 177.584 -0.017 0.000 1.082 343 A CA 0.107 52.057 52.037 -0.146 0.000 0.789 343 A CB 0.227 19.189 19.000 -0.064 0.000 1.025 343 A HN 0.656 nan 8.150 nan 0.000 0.490 344 H N 0.120 119.207 119.070 0.028 0.000 2.587 344 H HA 0.619 5.175 4.556 -0.000 0.000 0.325 344 H C 0.018 175.393 175.328 0.078 0.000 1.012 344 H CA 0.064 56.152 56.048 0.066 0.000 1.213 344 H CB 1.546 31.369 29.762 0.103 0.000 1.431 344 H HN 0.960 nan 8.280 nan 0.000 0.492 345 A N 2.994 125.911 122.820 0.161 0.000 2.608 345 A HA 0.567 4.887 4.320 -0.000 0.000 0.292 345 A C -1.413 176.173 177.584 0.002 0.000 1.066 345 A CA -0.955 51.093 52.037 0.017 0.000 0.676 345 A CB 1.781 20.722 19.000 -0.100 0.000 1.277 345 A HN 0.642 nan 8.150 nan 0.000 0.413 346 E N 0.156 120.326 120.200 -0.050 0.000 2.272 346 E HA 0.656 5.006 4.350 -0.000 0.000 0.269 346 E C -1.222 175.321 176.600 -0.096 0.000 0.877 346 E CA -0.243 56.135 56.400 -0.036 0.000 0.755 346 E CB 2.205 31.917 29.700 0.020 0.000 1.192 346 E HN 0.535 nan 8.360 nan 0.000 0.422 347 I N 1.933 122.459 120.570 -0.073 0.000 2.377 347 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 347 I C -0.455 175.669 176.117 0.012 0.000 0.987 347 I CA -0.665 60.596 61.300 -0.064 0.000 1.185 347 I CB 1.492 39.483 38.000 -0.015 0.000 1.341 347 I HN 0.385 nan 8.210 nan 0.000 0.455 348 E N 4.838 125.061 120.200 0.038 0.000 2.316 348 E HA 0.407 4.756 4.350 -0.000 0.000 0.254 348 E C -0.093 176.558 176.600 0.086 0.000 0.902 348 E CA 0.074 56.503 56.400 0.048 0.000 0.801 348 E CB 1.383 31.099 29.700 0.027 0.000 1.270 348 E HN 0.638 nan 8.360 nan 0.000 0.414 349 S N 3.863 119.615 115.700 0.086 0.000 4.059 349 S HA -0.313 4.157 4.470 -0.000 0.000 0.624 349 S C 0.645 175.333 174.600 0.147 0.000 2.019 349 S CA 1.766 60.017 58.200 0.086 0.000 4.197 349 S CB -1.135 62.098 63.200 0.056 0.000 0.215 349 S HN 0.815 nan 8.310 nan 0.000 0.609 350 N N 2.178 120.952 118.700 0.123 0.000 2.327 350 N HA 0.217 4.957 4.740 -0.000 0.000 0.231 350 N C -0.101 175.608 175.510 0.332 0.000 1.130 350 N CA 0.865 53.997 53.050 0.137 0.000 0.845 350 N CB 0.103 38.593 38.487 0.006 0.000 1.073 350 N HN 0.870 nan 8.380 nan 0.000 0.496 351 T N -1.994 112.787 114.554 0.379 0.000 2.933 351 T HA 0.513 4.863 4.350 -0.000 0.000 0.305 351 T C -0.896 173.811 174.700 0.012 0.000 1.092 351 T CA -0.679 61.579 62.100 0.262 0.000 1.008 351 T CB 1.697 70.626 68.868 0.101 0.000 1.102 351 T HN -0.027 nan 8.240 nan 0.000 0.469 352 V N 3.220 122.983 119.914 -0.252 0.000 2.398 352 V HA 0.590 4.710 4.120 -0.000 0.000 0.286 352 V C -0.091 175.854 176.094 -0.249 0.000 1.026 352 V CA -1.145 60.905 62.300 -0.416 0.000 0.868 352 V CB 1.053 32.460 31.823 -0.693 0.000 0.982 352 V HN 0.808 nan 8.190 nan 0.000 0.443 353 I N 3.427 123.864 120.570 -0.222 0.000 2.312 353 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 353 I C 0.146 176.015 176.117 -0.414 0.000 1.031 353 I CA -0.023 61.124 61.300 -0.256 0.000 1.293 353 I CB 0.727 38.617 38.000 -0.183 0.000 1.403 353 I HN 0.655 nan 8.210 nan 0.000 0.484 354 C N 6.308 125.367 119.300 -0.402 0.000 2.341 354 C HA 0.429 4.889 4.460 -0.000 0.000 0.338 354 C C 0.381 175.090 174.990 -0.468 0.000 1.257 354 C CA -0.554 58.245 59.018 -0.364 0.000 1.883 354 C CB 0.305 27.939 27.740 -0.177 0.000 2.334 354 C HN 0.606 nan 8.230 nan 0.000 0.524 355 H N 1.536 120.616 119.070 0.016 0.000 2.736 355 H HA 0.281 4.837 4.556 -0.000 0.000 0.271 355 H C 0.634 175.976 175.328 0.022 0.000 1.184 355 H CA -0.051 56.020 56.048 0.038 0.000 1.378 355 H CB 0.794 30.607 29.762 0.085 0.000 1.428 355 H HN 0.950 nan 8.280 nan 0.000 0.500 356 G N 1.754 110.594 108.800 0.067 0.000 2.368 356 G HA2 0.245 4.205 3.960 -0.000 0.000 0.233 356 G HA3 0.245 4.205 3.960 -0.000 0.000 0.233 356 G C 0.459 175.362 174.900 0.005 0.000 1.267 356 G CA -0.013 45.095 45.100 0.015 0.000 0.873 356 G HN 0.429 nan 8.290 nan 0.000 0.539 357 V N 0.153 120.034 119.914 -0.056 0.000 2.960 357 V HA 0.621 4.741 4.120 -0.000 0.000 0.315 357 V C 1.081 177.144 176.094 -0.051 0.000 1.087 357 V CA -0.439 61.815 62.300 -0.076 0.000 0.982 357 V CB 1.880 33.581 31.823 -0.204 0.000 1.039 357 V HN 0.817 nan 8.190 nan 0.000 0.437 358 E N 2.151 122.331 120.200 -0.033 0.000 2.021 358 E HA -0.110 4.240 4.350 -0.000 0.000 0.200 358 E C 0.869 177.451 176.600 -0.031 0.000 1.015 358 E CA 2.161 58.548 56.400 -0.022 0.000 0.824 358 E CB 0.088 29.781 29.700 -0.011 0.000 0.762 358 E HN 0.773 nan 8.360 nan 0.000 0.454 359 K N -0.818 119.559 120.400 -0.038 0.000 2.477 359 K HA 0.409 4.729 4.320 -0.000 0.000 0.255 359 K C -1.313 175.258 176.600 -0.049 0.000 0.952 359 K CA -0.731 55.534 56.287 -0.037 0.000 0.826 359 K CB 1.136 33.623 32.500 -0.023 0.000 1.331 359 K HN 0.080 nan 8.250 nan 0.000 0.437 360 L N 1.357 122.554 121.223 -0.043 0.000 2.375 360 L HA 0.442 4.782 4.340 -0.000 0.000 0.268 360 L C -0.303 176.551 176.870 -0.027 0.000 1.058 360 L CA -0.811 54.003 54.840 -0.043 0.000 0.803 360 L CB 1.990 44.026 42.059 -0.039 0.000 1.212 360 L HN 0.595 nan 8.230 nan 0.000 0.451 361 S N 0.104 115.791 115.700 -0.021 0.000 2.451 361 S HA 0.470 4.940 4.470 -0.000 0.000 0.301 361 S C 0.218 174.815 174.600 -0.005 0.000 1.116 361 S CA -0.710 57.484 58.200 -0.010 0.000 1.093 361 S CB 1.642 64.839 63.200 -0.004 0.000 1.017 361 S HN 0.773 nan 8.310 nan 0.000 0.482 362 G N 1.509 110.308 108.800 -0.003 0.000 2.484 362 G HA2 0.503 4.463 3.960 -0.000 0.000 0.235 362 G HA3 0.503 4.463 3.960 -0.000 0.000 0.235 362 G C -0.176 174.727 174.900 0.005 0.000 1.282 362 G CA 0.179 45.280 45.100 0.002 0.000 0.857 362 G HN 1.033 nan 8.290 nan 0.000 0.571 363 A N 1.569 124.394 122.820 0.009 0.000 2.511 363 A HA 0.656 4.976 4.320 -0.000 0.000 0.293 363 A C -0.713 176.880 177.584 0.015 0.000 1.098 363 A CA -0.773 51.271 52.037 0.011 0.000 0.643 363 A CB 0.765 19.771 19.000 0.010 0.000 1.302 363 A HN 0.644 nan 8.150 nan 0.000 0.446 364 Q N 0.572 120.381 119.800 0.016 0.000 2.314 364 Q HA 0.496 4.836 4.340 -0.000 0.000 0.257 364 Q C -0.142 175.868 176.000 0.017 0.000 0.975 364 Q CA -0.494 55.321 55.803 0.019 0.000 0.933 364 Q CB 1.335 30.084 28.738 0.019 0.000 1.195 364 Q HN 0.903 nan 8.270 nan 0.000 0.426 365 V N -0.119 119.805 119.914 0.016 0.000 3.113 365 V HA 0.707 4.827 4.120 -0.000 0.000 0.316 365 V C -0.662 175.438 176.094 0.009 0.000 1.125 365 V CA -1.297 61.011 62.300 0.012 0.000 1.026 365 V CB 2.227 34.057 31.823 0.011 0.000 1.080 365 V HN 0.822 nan 8.190 nan 0.000 0.444 366 M N 2.592 122.195 119.600 0.004 0.000 2.190 366 M HA 0.793 5.272 4.480 -0.000 0.000 0.312 366 M C -0.121 176.165 176.300 -0.023 0.000 0.990 366 M CA -0.618 54.681 55.300 -0.001 0.000 0.927 366 M CB 1.487 34.095 32.600 0.012 0.000 1.571 366 M HN 1.217 nan 8.290 nan 0.000 0.427 367 A N 2.833 125.625 122.820 -0.047 0.000 2.477 367 A HA 0.429 4.749 4.320 -0.000 0.000 0.246 367 A C 0.839 178.323 177.584 -0.167 0.000 1.078 367 A CA 0.271 52.244 52.037 -0.106 0.000 0.770 367 A CB -0.024 18.906 19.000 -0.118 0.000 1.011 367 A HN 0.960 nan 8.150 nan 0.000 0.494 368 T N -1.627 112.750 114.554 -0.296 0.000 2.959 368 T HA 0.369 4.719 4.350 -0.000 0.000 0.254 368 T C -0.011 174.260 174.700 -0.715 0.000 1.003 368 T CA 0.646 62.538 62.100 -0.347 0.000 0.950 368 T CB -0.399 68.389 68.868 -0.134 0.000 1.090 368 T HN 0.881 nan 8.240 nan 0.000 0.503 369 D N -0.826 119.109 120.400 -0.776 0.000 2.692 369 D HA 0.380 5.020 4.640 -0.000 0.000 0.290 369 D C 0.673 176.751 176.300 -0.371 0.000 1.281 369 D CA -0.934 52.686 54.000 -0.633 0.000 0.804 369 D CB 0.673 41.300 40.800 -0.289 0.000 1.331 369 D HN -0.109 nan 8.370 nan 0.000 0.432 370 L N 0.575 121.709 121.223 -0.148 0.000 1.951 370 L HA -0.149 4.191 4.340 -0.000 0.000 0.222 370 L C 1.989 178.872 176.870 0.021 0.000 1.078 370 L CA 1.969 56.808 54.840 -0.002 0.000 0.778 370 L CB -0.690 41.391 42.059 0.037 0.000 0.893 370 L HN 0.507 nan 8.230 nan 0.000 0.436 371 R N -0.081 120.416 120.500 -0.004 0.000 2.148 371 R HA 0.037 4.377 4.340 -0.000 0.000 0.227 371 R C 2.163 178.408 176.300 -0.092 0.000 1.103 371 R CA 1.200 57.303 56.100 0.006 0.000 0.983 371 R CB -1.487 28.809 30.300 -0.007 0.000 0.874 371 R HN 0.591 nan 8.270 nan 0.000 0.451 372 A N 1.383 124.124 122.820 -0.132 0.000 1.898 372 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 372 A C 2.373 179.890 177.584 -0.112 0.000 1.181 372 A CA 1.893 53.849 52.037 -0.136 0.000 0.620 372 A CB -0.610 18.351 19.000 -0.066 0.000 0.819 372 A HN 0.446 nan 8.150 nan 0.000 0.442 373 S N 0.521 116.140 115.700 -0.135 0.000 2.370 373 S HA -0.086 4.383 4.470 -0.000 0.000 0.226 373 S C 2.110 176.625 174.600 -0.142 0.000 1.033 373 S CA 1.615 59.735 58.200 -0.133 0.000 1.011 373 S CB -0.819 62.297 63.200 -0.141 0.000 0.852 373 S HN 0.973 nan 8.310 nan 0.000 0.457 374 A N 1.559 124.265 122.820 -0.189 0.000 1.933 374 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 374 A C 2.472 179.936 177.584 -0.200 0.000 1.175 374 A CA 1.841 53.692 52.037 -0.310 0.000 0.628 374 A CB -1.189 17.510 19.000 -0.503 0.000 0.814 374 A HN 0.581 nan 8.150 nan 0.000 0.444 375 S N -0.111 115.504 115.700 -0.142 0.000 2.368 375 S HA -0.053 4.416 4.470 -0.000 0.000 0.224 375 S C 1.776 176.339 174.600 -0.062 0.000 1.029 375 S CA 1.342 59.481 58.200 -0.101 0.000 0.988 375 S CB -0.394 62.741 63.200 -0.108 0.000 0.838 375 S HN 0.524 nan 8.310 nan 0.000 0.462 376 L N 0.928 122.122 121.223 -0.048 0.000 2.141 376 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 376 L C 2.249 179.111 176.870 -0.013 0.000 1.094 376 L CA 0.671 55.499 54.840 -0.019 0.000 0.763 376 L CB -0.584 41.467 42.059 -0.013 0.000 0.908 376 L HN 0.205 nan 8.230 nan 0.000 0.437 377 V N 0.183 120.083 119.914 -0.022 0.000 2.358 377 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 377 V C 2.383 178.464 176.094 -0.021 0.000 1.047 377 V CA 1.448 63.759 62.300 0.018 0.000 1.035 377 V CB -0.261 31.595 31.823 0.055 0.000 0.658 377 V HN 0.342 nan 8.190 nan 0.000 0.452 378 L N 0.057 121.243 121.223 -0.062 0.000 2.083 378 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 378 L C 2.733 179.579 176.870 -0.041 0.000 1.083 378 L CA 1.428 56.230 54.840 -0.063 0.000 0.752 378 L CB -0.831 41.173 42.059 -0.093 0.000 0.899 378 L HN 0.370 nan 8.230 nan 0.000 0.433 379 A N 0.554 123.354 122.820 -0.034 0.000 1.902 379 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 379 A C 2.422 179.997 177.584 -0.016 0.000 1.181 379 A CA 1.790 53.813 52.037 -0.023 0.000 0.623 379 A CB -1.264 17.727 19.000 -0.014 0.000 0.818 379 A HN 0.436 nan 8.150 nan 0.000 0.443 380 G N -0.988 107.807 108.800 -0.008 0.000 2.442 380 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.219 380 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.219 380 G C 1.539 176.432 174.900 -0.011 0.000 1.141 380 G CA 1.298 46.397 45.100 -0.002 0.000 0.763 380 G HN 0.532 nan 8.290 nan 0.000 0.554 381 C N 0.698 119.988 119.300 -0.017 0.000 2.422 381 C HA 0.023 4.483 4.460 -0.000 0.000 0.279 381 C C 2.607 177.586 174.990 -0.018 0.000 1.305 381 C CA 0.919 59.925 59.018 -0.019 0.000 1.757 381 C CB -0.893 26.835 27.740 -0.020 0.000 1.962 381 C HN 0.666 nan 8.230 nan 0.000 0.499 382 I N -1.303 119.255 120.570 -0.020 0.000 4.057 382 I HA 0.391 4.560 4.170 -0.000 0.000 0.334 382 I C 0.998 177.104 176.117 -0.019 0.000 1.308 382 I CA -0.141 61.147 61.300 -0.020 0.000 1.125 382 I CB -0.371 37.614 38.000 -0.025 0.000 1.034 382 I HN 0.059 nan 8.210 nan 0.000 0.401 383 A N 1.824 124.633 122.820 -0.017 0.000 2.332 383 A HA 0.301 4.621 4.320 -0.000 0.000 0.258 383 A C -0.038 177.538 177.584 -0.013 0.000 1.087 383 A CA -0.175 51.852 52.037 -0.016 0.000 0.802 383 A CB 0.318 19.310 19.000 -0.013 0.000 1.042 383 A HN 0.432 nan 8.150 nan 0.000 0.489 384 E N 0.309 120.502 120.200 -0.012 0.000 2.105 384 E HA 0.482 4.832 4.350 -0.000 0.000 0.285 384 E C 0.614 177.210 176.600 -0.006 0.000 1.055 384 E CA 1.287 57.681 56.400 -0.009 0.000 0.843 384 E CB -0.175 29.520 29.700 -0.008 0.000 1.067 384 E HN 1.554 nan 8.360 nan 0.000 0.398 385 G N 2.989 111.786 108.800 -0.005 0.000 2.378 385 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.198 385 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.198 385 G C -0.643 174.256 174.900 -0.002 0.000 1.223 385 G CA -0.416 44.683 45.100 -0.002 0.000 1.088 385 G HN 0.559 nan 8.290 nan 0.000 0.530 386 T N 1.362 115.917 114.554 0.002 0.000 2.795 386 T HA 0.679 5.029 4.350 -0.000 0.000 0.282 386 T C -0.127 174.579 174.700 0.010 0.000 0.980 386 T CA 0.294 62.397 62.100 0.005 0.000 1.012 386 T CB 1.469 70.341 68.868 0.007 0.000 0.936 386 T HN 0.721 nan 8.240 nan 0.000 0.457 387 T N 2.628 117.190 114.554 0.014 0.000 2.841 387 T HA 0.562 4.912 4.350 -0.000 0.000 0.283 387 T C -0.570 174.151 174.700 0.035 0.000 1.000 387 T CA -0.543 61.569 62.100 0.020 0.000 0.977 387 T CB 1.371 70.250 68.868 0.018 0.000 0.979 387 T HN 0.322 nan 8.240 nan 0.000 0.446 388 V N 3.581 123.517 119.914 0.038 0.000 2.376 388 V HA 0.365 4.485 4.120 -0.000 0.000 0.287 388 V C -0.277 175.846 176.094 0.050 0.000 1.015 388 V CA -0.790 61.541 62.300 0.053 0.000 0.834 388 V CB 1.634 33.483 31.823 0.043 0.000 1.001 388 V HN 0.727 nan 8.190 nan 0.000 0.428 389 V N 3.981 123.936 119.914 0.069 0.000 2.334 389 V HA 0.286 4.406 4.120 -0.000 0.000 0.267 389 V C 0.103 176.198 176.094 0.002 0.000 1.040 389 V CA -0.348 61.971 62.300 0.033 0.000 0.866 389 V CB 1.293 33.139 31.823 0.037 0.000 1.019 389 V HN 0.899 nan 8.190 nan 0.000 0.468 390 D N 3.830 124.229 120.400 -0.002 0.000 2.313 390 D HA 0.346 4.986 4.640 -0.000 0.000 0.247 390 D C 0.851 177.128 176.300 -0.037 0.000 1.094 390 D CA -0.146 53.852 54.000 -0.003 0.000 0.925 390 D CB 0.503 41.315 40.800 0.019 0.000 1.188 390 D HN 0.490 nan 8.370 nan 0.000 0.430 391 R N 1.331 121.815 120.500 -0.026 0.000 3.651 391 R HA -0.189 4.151 4.340 -0.000 0.000 0.292 391 R C 1.021 177.123 176.300 -0.330 0.000 1.161 391 R CA 0.607 56.651 56.100 -0.093 0.000 0.787 391 R CB -2.197 28.053 30.300 -0.083 0.000 1.249 391 R HN 0.504 nan 8.270 nan 0.000 0.476 392 I N -1.822 118.575 120.570 -0.288 0.000 3.164 392 I HA -0.179 3.991 4.170 -0.000 0.000 0.278 392 I C 2.001 177.899 176.117 -0.365 0.000 1.320 392 I CA 0.920 61.957 61.300 -0.438 0.000 1.422 392 I CB -1.010 36.457 38.000 -0.889 0.000 1.066 392 I HN 0.321 nan 8.210 nan 0.000 0.503 393 Y N -0.020 120.155 120.300 -0.209 0.000 2.315 393 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 393 Y C 2.378 178.188 175.900 -0.149 0.000 1.154 393 Y CA 1.463 59.451 58.100 -0.187 0.000 1.229 393 Y CB -1.684 36.652 38.460 -0.206 0.000 0.980 393 Y HN 0.223 nan 8.280 nan 0.000 0.540 394 H N 0.516 119.216 119.070 -0.616 0.000 2.353 394 H HA -0.183 4.373 4.556 -0.000 0.000 0.298 394 H C 2.365 177.623 175.328 -0.117 0.000 1.103 394 H CA 2.029 57.867 56.048 -0.349 0.000 1.293 394 H CB -0.343 29.158 29.762 -0.435 0.000 1.372 394 H HN 0.505 nan 8.280 nan 0.000 0.501 395 I N 1.064 121.623 120.570 -0.019 0.000 2.493 395 I HA -0.206 3.964 4.170 -0.000 0.000 0.254 395 I C 1.273 177.471 176.117 0.135 0.000 1.160 395 I CA 1.041 62.369 61.300 0.046 0.000 1.445 395 I CB 0.012 37.949 38.000 -0.105 0.000 1.086 395 I HN 0.082 nan 8.210 nan 0.000 0.433 396 D N 0.486 120.929 120.400 0.072 0.000 2.350 396 D HA -0.116 4.523 4.640 -0.000 0.000 0.216 396 D C 2.106 178.470 176.300 0.107 0.000 0.968 396 D CA 0.613 54.674 54.000 0.102 0.000 0.894 396 D CB -0.067 40.779 40.800 0.077 0.000 0.909 396 D HN 0.409 nan 8.370 nan 0.000 0.520 397 R N -0.176 120.390 120.500 0.110 0.000 2.090 397 R HA 0.032 4.372 4.340 -0.000 0.000 0.228 397 R C 1.906 178.242 176.300 0.060 0.000 1.110 397 R CA 1.206 57.358 56.100 0.087 0.000 0.973 397 R CB 0.079 30.436 30.300 0.094 0.000 0.869 397 R HN 0.091 nan 8.270 nan 0.000 0.440 398 G N -1.517 107.322 108.800 0.065 0.000 3.528 398 G HA2 0.110 4.070 3.960 -0.000 0.000 0.266 398 G HA3 0.110 4.070 3.960 -0.000 0.000 0.266 398 G C -0.584 174.165 174.900 -0.252 0.000 1.004 398 G CA -0.208 44.841 45.100 -0.085 0.000 0.853 398 G HN 0.059 nan 8.290 nan 0.000 0.501 399 Y N 0.595 120.923 120.300 0.046 0.000 2.338 399 Y HA 0.405 4.955 4.550 -0.000 0.000 0.333 399 Y C -0.043 175.912 175.900 0.091 0.000 0.968 399 Y CA -1.281 56.860 58.100 0.069 0.000 1.123 399 Y CB 1.769 40.266 38.460 0.061 0.000 1.165 399 Y HN 0.068 nan 8.280 nan 0.000 0.452 400 E N 5.072 125.398 120.200 0.210 0.000 2.217 400 E HA 0.186 4.536 4.350 -0.000 0.000 0.279 400 E C -0.031 176.686 176.600 0.195 0.000 1.068 400 E CA -0.556 55.942 56.400 0.162 0.000 0.882 400 E CB 0.343 30.107 29.700 0.107 0.000 1.039 400 E HN 0.720 nan 8.360 nan 0.000 0.418 401 R N 3.571 124.175 120.500 0.173 0.000 3.109 401 R HA -0.234 4.106 4.340 -0.000 0.000 0.241 401 R C 0.323 176.740 176.300 0.196 0.000 0.882 401 R CA 0.782 56.980 56.100 0.163 0.000 0.604 401 R CB -2.169 28.198 30.300 0.110 0.000 1.040 401 R HN 0.804 nan 8.270 nan 0.000 0.480 402 I N 0.907 121.628 120.570 0.252 0.000 2.361 402 I HA -0.284 3.885 4.170 -0.000 0.000 0.251 402 I C 2.443 178.665 176.117 0.174 0.000 1.133 402 I CA 1.848 63.309 61.300 0.268 0.000 1.413 402 I CB -0.050 38.054 38.000 0.174 0.000 1.073 402 I HN 0.651 nan 8.210 nan 0.000 0.424 403 E N 0.393 120.660 120.200 0.111 0.000 2.072 403 E HA -0.265 4.085 4.350 -0.000 0.000 0.191 403 E C 1.315 177.897 176.600 -0.030 0.000 0.985 403 E CA 1.423 57.777 56.400 -0.076 0.000 0.801 403 E CB -0.605 28.945 29.700 -0.249 0.000 0.750 403 E HN 0.492 nan 8.360 nan 0.000 0.452 404 D N 1.801 122.214 120.400 0.022 0.000 2.097 404 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 404 D C 1.960 178.267 176.300 0.012 0.000 0.989 404 D CA 1.328 55.334 54.000 0.011 0.000 0.827 404 D CB -0.191 40.624 40.800 0.025 0.000 0.966 404 D HN 0.249 nan 8.370 nan 0.000 0.456 405 K N 0.259 120.687 120.400 0.047 0.000 2.063 405 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 405 K C 2.334 178.950 176.600 0.028 0.000 1.048 405 K CA 0.595 56.880 56.287 -0.004 0.000 0.928 405 K CB -0.156 32.342 32.500 -0.004 0.000 0.713 405 K HN 0.151 nan 8.250 nan 0.000 0.442 406 L N 0.440 121.742 121.223 0.131 0.000 2.056 406 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 406 L C 2.751 179.636 176.870 0.024 0.000 1.078 406 L CA 1.000 55.913 54.840 0.123 0.000 0.749 406 L CB -0.307 41.805 42.059 0.088 0.000 0.901 406 L HN 0.188 nan 8.230 nan 0.000 0.433 407 R N 0.475 120.968 120.500 -0.013 0.000 2.081 407 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 407 R C 2.181 178.466 176.300 -0.026 0.000 1.131 407 R CA 1.449 57.529 56.100 -0.033 0.000 0.960 407 R CB -0.261 30.011 30.300 -0.047 0.000 0.856 407 R HN 0.321 nan 8.270 nan 0.000 0.436 408 A N 0.361 123.164 122.820 -0.028 0.000 2.225 408 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 408 A C 1.695 179.256 177.584 -0.038 0.000 1.164 408 A CA 0.906 52.921 52.037 -0.038 0.000 0.710 408 A CB -0.203 18.765 19.000 -0.052 0.000 0.780 408 A HN 0.373 nan 8.150 nan 0.000 0.473 409 L N -2.081 119.127 121.223 -0.024 0.000 2.693 409 L HA 0.315 4.655 4.340 -0.000 0.000 0.235 409 L C 1.451 178.316 176.870 -0.007 0.000 1.127 409 L CA 0.535 55.366 54.840 -0.014 0.000 0.914 409 L CB 0.353 42.420 42.059 0.013 0.000 1.193 409 L HN 0.504 nan 8.230 nan 0.000 0.502 410 G N 0.001 108.793 108.800 -0.013 0.000 2.168 410 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.197 410 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.197 410 G C 0.319 175.209 174.900 -0.017 0.000 0.997 410 G CA -0.149 44.942 45.100 -0.015 0.000 0.658 410 G HN 0.392 nan 8.290 nan 0.000 0.513 411 A N 0.040 122.849 122.820 -0.018 0.000 2.371 411 A HA 0.620 4.939 4.320 -0.000 0.000 0.257 411 A C 0.465 178.022 177.584 -0.045 0.000 1.089 411 A CA 0.077 52.096 52.037 -0.029 0.000 0.794 411 A CB 0.450 19.431 19.000 -0.031 0.000 1.029 411 A HN 0.478 nan 8.150 nan 0.000 0.488 412 N N 1.992 120.663 118.700 -0.048 0.000 2.817 412 N HA 0.369 5.109 4.740 -0.000 0.000 0.234 412 N C -1.308 174.155 175.510 -0.077 0.000 1.066 412 N CA -0.022 52.997 53.050 -0.053 0.000 0.926 412 N CB 0.254 38.719 38.487 -0.036 0.000 1.176 412 N HN 0.672 nan 8.380 nan 0.000 0.506 413 I N 0.919 121.419 120.570 -0.117 0.000 2.730 413 I HA 0.497 4.667 4.170 -0.000 0.000 0.298 413 I C -1.301 174.683 176.117 -0.221 0.000 1.089 413 I CA -0.638 60.544 61.300 -0.196 0.000 1.041 413 I CB 2.261 40.081 38.000 -0.300 0.000 1.235 413 I HN 0.185 nan 8.210 nan 0.000 0.423 414 E N 4.428 124.485 120.200 -0.239 0.000 2.352 414 E HA 0.341 4.691 4.350 -0.000 0.000 0.280 414 E C -1.399 175.147 176.600 -0.090 0.000 0.930 414 E CA -0.673 55.630 56.400 -0.161 0.000 0.765 414 E CB 1.907 31.570 29.700 -0.061 0.000 1.219 414 E HN 0.493 nan 8.360 nan 0.000 0.434 415 R N 3.134 123.641 120.500 0.011 0.000 2.205 415 R HA 0.365 4.705 4.340 -0.000 0.000 0.342 415 R C -0.566 175.836 176.300 0.170 0.000 1.058 415 R CA -0.529 55.740 56.100 0.282 0.000 0.904 415 R CB 0.187 30.725 30.300 0.397 0.000 1.089 415 R HN 0.370 nan 8.270 nan 0.000 0.471 416 V N 2.945 122.955 119.914 0.161 0.000 2.408 416 V HA 0.332 4.451 4.120 -0.000 0.000 0.267 416 V C 0.194 176.340 176.094 0.087 0.000 1.047 416 V CA -1.012 61.346 62.300 0.097 0.000 0.937 416 V CB 0.872 32.742 31.823 0.078 0.000 0.999 416 V HN 0.556 nan 8.190 nan 0.000 0.472 417 K N 3.527 123.967 120.400 0.066 0.000 2.286 417 K HA 0.194 4.514 4.320 -0.000 0.000 0.256 417 K C 1.178 177.802 176.600 0.041 0.000 0.999 417 K CA 0.863 57.181 56.287 0.053 0.000 0.908 417 K CB 0.242 32.767 32.500 0.041 0.000 0.981 417 K HN 1.420 nan 8.250 nan 0.000 0.500 418 G N 3.015 111.834 108.800 0.032 0.000 2.629 418 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.334 418 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.334 418 G C -0.201 174.714 174.900 0.025 0.000 0.169 418 G CA 1.202 46.316 45.100 0.024 0.000 1.174 418 G HN 0.627 nan 8.290 nan 0.000 0.506 419 E N 0.000 120.218 120.200 0.029 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.417 56.400 0.029 0.000 0.976 419 E CB 0.000 29.714 29.700 0.023 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440