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 3kqa_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGXAIGAR 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 AFPTDMQAQF 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 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 D N 4.422 124.796 120.400 -0.043 0.000 2.423 2 D HA 0.372 5.012 4.640 -0.000 0.000 0.238 2 D C -0.627 175.584 176.300 -0.148 0.000 1.142 2 D CA 0.508 54.452 54.000 -0.093 0.000 0.884 2 D CB 0.727 41.452 40.800 -0.125 0.000 1.199 2 D HN 0.427 nan 8.370 nan 0.000 0.438 3 K N 0.563 120.862 120.400 -0.168 0.000 2.444 3 K HA 0.523 4.843 4.320 -0.000 0.000 0.252 3 K C -0.813 175.669 176.600 -0.198 0.000 0.993 3 K CA -0.800 55.383 56.287 -0.175 0.000 0.847 3 K CB 1.820 34.291 32.500 -0.048 0.000 1.340 3 K HN 0.252 nan 8.250 nan 0.000 0.446 4 F N 1.261 121.216 119.950 0.008 0.000 2.426 4 F HA 0.373 4.900 4.527 -0.000 0.000 0.348 4 F C 0.286 176.086 175.800 -0.000 0.000 1.124 4 F CA -0.912 57.089 58.000 0.001 0.000 1.008 4 F CB 1.793 40.787 39.000 -0.010 0.000 1.139 4 F HN 0.284 nan 8.300 nan 0.000 0.452 5 R N 4.026 124.657 120.500 0.217 0.000 2.229 5 R HA 0.634 4.974 4.340 -0.000 0.000 0.332 5 R C -1.836 174.514 176.300 0.084 0.000 0.989 5 R CA -0.346 55.822 56.100 0.114 0.000 0.842 5 R CB 0.995 31.341 30.300 0.076 0.000 1.119 5 R HN 0.503 nan 8.270 nan 0.000 0.456 6 V N 4.422 124.369 119.914 0.055 0.000 2.581 6 V HA 0.370 4.490 4.120 -0.000 0.000 0.303 6 V C -0.352 175.747 176.094 0.009 0.000 1.041 6 V CA -0.823 61.485 62.300 0.014 0.000 0.907 6 V CB 1.859 33.679 31.823 -0.005 0.000 0.994 6 V HN 0.784 nan 8.190 nan 0.000 0.442 7 Q N 1.661 121.460 119.800 -0.002 0.000 2.330 7 Q HA 0.693 5.032 4.340 -0.000 0.000 0.269 7 Q C -0.010 175.986 176.000 -0.007 0.000 1.022 7 Q CA -0.382 55.420 55.803 -0.001 0.000 0.796 7 Q CB 2.556 31.295 28.738 0.002 0.000 1.271 7 Q HN 0.980 nan 8.270 nan 0.000 0.450 8 G N 2.103 110.900 108.800 -0.006 0.000 3.140 8 G HA2 0.721 4.681 3.960 -0.000 0.000 0.271 8 G HA3 0.721 4.681 3.960 -0.000 0.000 0.271 8 G C -2.819 172.077 174.900 -0.005 0.000 1.370 8 G CA -1.289 43.806 45.100 -0.008 0.000 1.014 8 G HN 0.350 nan 8.290 nan 0.000 0.541 9 P HA 0.375 nan 4.420 nan 0.000 0.284 9 P C -0.621 176.674 177.300 -0.009 0.000 1.258 9 P CA -0.067 63.029 63.100 -0.008 0.000 0.824 9 P CB 1.645 33.342 31.700 -0.006 0.000 1.038 10 T N -1.088 113.459 114.554 -0.011 0.000 2.903 10 T HA 0.539 4.889 4.350 -0.000 0.000 0.299 10 T C -0.496 174.198 174.700 -0.011 0.000 1.093 10 T CA -1.061 61.032 62.100 -0.012 0.000 1.002 10 T CB 1.894 70.752 68.868 -0.015 0.000 1.127 10 T HN 0.430 nan 8.240 nan 0.000 0.488 11 R N 1.707 122.201 120.500 -0.010 0.000 2.265 11 R HA 0.613 4.953 4.340 -0.000 0.000 0.319 11 R C -0.868 175.427 176.300 -0.008 0.000 1.006 11 R CA -0.808 55.287 56.100 -0.009 0.000 0.880 11 R CB 0.448 30.744 30.300 -0.008 0.000 1.077 11 R HN 0.689 nan 8.270 nan 0.000 0.454 12 L N 6.140 127.361 121.223 -0.004 0.000 2.257 12 L HA 0.364 4.704 4.340 -0.000 0.000 0.290 12 L C -0.274 176.599 176.870 0.004 0.000 1.044 12 L CA -0.321 54.522 54.840 0.005 0.000 0.810 12 L CB 1.132 43.203 42.059 0.020 0.000 1.193 12 L HN 0.778 nan 8.230 nan 0.000 0.425 13 Q N 2.785 122.583 119.800 -0.004 0.000 2.575 13 Q HA 0.824 5.164 4.340 -0.000 0.000 0.290 13 Q C -0.418 175.569 176.000 -0.022 0.000 0.963 13 Q CA -0.498 55.298 55.803 -0.011 0.000 0.783 13 Q CB 2.680 31.407 28.738 -0.018 0.000 1.467 13 Q HN 0.638 nan 8.270 nan 0.000 0.402 14 G N 0.712 109.495 108.800 -0.028 0.000 2.250 14 G HA2 0.012 3.972 3.960 -0.000 0.000 0.189 14 G HA3 0.012 3.972 3.960 -0.000 0.000 0.189 14 G C -1.506 173.364 174.900 -0.048 0.000 1.298 14 G CA -0.296 44.779 45.100 -0.040 0.000 1.246 14 G HN 0.700 nan 8.290 nan 0.000 0.513 15 E N -1.324 118.836 120.200 -0.068 0.000 2.336 15 E HA 0.668 5.018 4.350 -0.000 0.000 0.267 15 E C -1.381 175.138 176.600 -0.136 0.000 0.906 15 E CA -0.872 55.480 56.400 -0.081 0.000 0.781 15 E CB 3.126 32.782 29.700 -0.073 0.000 1.261 15 E HN 0.899 nan 8.360 nan 0.000 0.436 16 V N 0.782 120.598 119.914 -0.164 0.000 2.932 16 V HA 0.366 4.486 4.120 -0.000 0.000 0.307 16 V C -1.413 174.573 176.094 -0.181 0.000 1.147 16 V CA -0.281 61.852 62.300 -0.278 0.000 0.951 16 V CB 2.466 33.923 31.823 -0.610 0.000 1.031 16 V HN 0.716 nan 8.190 nan 0.000 0.426 17 T N 7.564 122.023 114.554 -0.159 0.000 2.756 17 T HA 0.514 4.864 4.350 -0.000 0.000 0.290 17 T C -0.117 174.545 174.700 -0.063 0.000 0.985 17 T CA -0.259 61.794 62.100 -0.079 0.000 0.955 17 T CB 0.493 69.329 68.868 -0.053 0.000 0.930 17 T HN 0.473 nan 8.240 nan 0.000 0.451 18 I N 3.347 123.907 120.570 -0.017 0.000 2.618 18 I HA 0.098 4.268 4.170 -0.000 0.000 0.284 18 I C 1.181 177.312 176.117 0.024 0.000 1.146 18 I CA 0.165 61.483 61.300 0.031 0.000 1.425 18 I CB 0.078 38.112 38.000 0.056 0.000 1.383 18 I HN 0.546 nan 8.210 nan 0.000 0.562 19 S N 4.279 120.003 115.700 0.041 0.000 2.645 19 S HA 0.479 4.949 4.470 -0.000 0.000 0.266 19 S C 0.671 175.270 174.600 -0.002 0.000 1.258 19 S CA -0.580 57.631 58.200 0.018 0.000 0.990 19 S CB 1.294 64.514 63.200 0.033 0.000 0.967 19 S HN 0.847 nan 8.310 nan 0.000 0.556 20 G N 0.023 108.811 108.800 -0.021 0.000 2.569 20 G HA2 0.477 4.437 3.960 -0.000 0.000 0.249 20 G HA3 0.477 4.437 3.960 -0.000 0.000 0.249 20 G C -0.227 174.652 174.900 -0.035 0.000 1.216 20 G CA -0.522 44.556 45.100 -0.036 0.000 0.845 20 G HN 0.887 nan 8.290 nan 0.000 0.568 21 A N 1.171 123.968 122.820 -0.039 0.000 2.444 21 A HA 0.289 4.609 4.320 -0.000 0.000 0.273 21 A C 1.535 179.100 177.584 -0.031 0.000 1.136 21 A CA -0.148 51.864 52.037 -0.040 0.000 0.799 21 A CB 0.348 19.324 19.000 -0.039 0.000 1.081 21 A HN 0.854 nan 8.150 nan 0.000 0.509 22 K N 2.393 122.776 120.400 -0.028 0.000 2.152 22 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 22 K C 0.786 177.405 176.600 0.032 0.000 1.048 22 K CA 1.780 58.066 56.287 -0.002 0.000 0.933 22 K CB -0.045 32.457 32.500 0.003 0.000 0.721 22 K HN 0.766 nan 8.250 nan 0.000 0.447 23 N N 0.128 118.845 118.700 0.029 0.000 2.550 23 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 23 N C 1.035 176.573 175.510 0.047 0.000 1.110 23 N CA 0.941 54.037 53.050 0.076 0.000 0.912 23 N CB 0.330 38.855 38.487 0.064 0.000 0.968 23 N HN 0.300 nan 8.380 nan 0.000 0.448 24 A N 0.113 122.930 122.820 -0.004 0.000 2.013 24 A HA 0.437 4.757 4.320 -0.000 0.000 0.204 24 A C 2.202 179.738 177.584 -0.079 0.000 1.262 24 A CA 0.706 52.717 52.037 -0.043 0.000 0.800 24 A CB -0.314 18.670 19.000 -0.026 0.000 0.909 24 A HN 0.181 nan 8.150 nan 0.000 0.472 25 A N 0.395 123.178 122.820 -0.061 0.000 1.902 25 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 25 A C 2.113 179.642 177.584 -0.091 0.000 1.181 25 A CA 1.487 53.464 52.037 -0.100 0.000 0.623 25 A CB -0.654 18.300 19.000 -0.075 0.000 0.818 25 A HN 0.448 nan 8.150 nan 0.000 0.443 26 L N -0.078 121.156 121.223 0.018 0.000 1.976 26 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 26 L C -0.191 176.754 176.870 0.126 0.000 1.071 26 L CA 1.864 56.800 54.840 0.160 0.000 0.746 26 L CB -1.508 40.794 42.059 0.404 0.000 0.890 26 L HN 0.305 nan 8.230 nan 0.000 0.432 27 P HA -0.171 nan 4.420 nan 0.000 0.218 27 P C 1.827 178.952 177.300 -0.292 0.000 1.149 27 P CA 1.586 64.333 63.100 -0.588 0.000 0.817 27 P CB 0.062 31.155 31.700 -1.012 0.000 0.785 28 I N -0.599 119.789 120.570 -0.302 0.000 2.252 28 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 28 I C 2.655 178.502 176.117 -0.450 0.000 1.102 28 I CA 1.095 62.093 61.300 -0.503 0.000 1.385 28 I CB -0.568 37.025 38.000 -0.679 0.000 1.064 28 I HN -0.161 nan 8.210 nan 0.000 0.414 29 L N -0.421 120.611 121.223 -0.318 0.000 2.042 29 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 29 L C 2.437 179.166 176.870 -0.235 0.000 1.076 29 L CA 1.689 56.349 54.840 -0.300 0.000 0.749 29 L CB -0.586 41.263 42.059 -0.349 0.000 0.893 29 L HN 0.155 nan 8.230 nan 0.000 0.432 30 F N -0.525 119.404 119.950 -0.035 0.000 2.259 30 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 30 F C 2.550 178.377 175.800 0.045 0.000 1.088 30 F CA 0.825 58.849 58.000 0.041 0.000 1.358 30 F CB -0.506 38.554 39.000 0.100 0.000 1.040 30 F HN -0.002 nan 8.300 nan 0.000 0.505 31 A N 0.110 123.033 122.820 0.171 0.000 2.019 31 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 31 A C 2.316 180.074 177.584 0.290 0.000 1.164 31 A CA 1.366 53.522 52.037 0.198 0.000 0.644 31 A CB -1.077 18.057 19.000 0.222 0.000 0.805 31 A HN 0.286 nan 8.150 nan 0.000 0.449 32 A N -0.386 122.598 122.820 0.272 0.000 2.125 32 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 32 A C 1.911 179.611 177.584 0.193 0.000 1.156 32 A CA 1.042 53.253 52.037 0.290 0.000 0.671 32 A CB -0.551 18.558 19.000 0.181 0.000 0.794 32 A HN 0.488 nan 8.150 nan 0.000 0.459 33 L N -0.780 120.557 121.223 0.190 0.000 2.353 33 L HA -0.124 4.216 4.340 -0.000 0.000 0.220 33 L C 2.048 179.042 176.870 0.206 0.000 1.133 33 L CA 0.564 55.536 54.840 0.220 0.000 0.798 33 L CB -0.298 41.926 42.059 0.275 0.000 0.922 33 L HN 0.425 nan 8.230 nan 0.000 0.445 34 L N -0.532 120.776 121.223 0.141 0.000 2.270 34 L HA 0.077 4.417 4.340 -0.000 0.000 0.210 34 L C 1.434 178.318 176.870 0.024 0.000 1.104 34 L CA -0.248 54.624 54.840 0.055 0.000 0.804 34 L CB -0.401 41.670 42.059 0.020 0.000 0.937 34 L HN 0.113 nan 8.230 nan 0.000 0.450 35 A N 0.664 123.516 122.820 0.055 0.000 2.491 35 A HA 0.063 4.383 4.320 -0.000 0.000 0.261 35 A C 1.045 178.660 177.584 0.052 0.000 1.101 35 A CA -0.156 51.899 52.037 0.030 0.000 0.772 35 A CB 0.073 19.103 19.000 0.050 0.000 1.043 35 A HN 0.331 nan 8.150 nan 0.000 0.501 36 E N 1.687 121.901 120.200 0.024 0.000 2.435 36 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 36 E C -0.088 176.542 176.600 0.050 0.000 1.029 36 E CA 0.602 57.027 56.400 0.041 0.000 0.865 36 E CB 0.356 30.063 29.700 0.013 0.000 0.833 36 E HN 0.837 nan 8.360 nan 0.000 0.510 37 E N 0.527 120.752 120.200 0.043 0.000 2.336 37 E HA 0.298 4.648 4.350 -0.000 0.000 0.267 37 E C -2.694 173.948 176.600 0.069 0.000 0.906 37 E CA -2.589 53.840 56.400 0.050 0.000 0.781 37 E CB 1.794 31.514 29.700 0.033 0.000 1.261 37 E HN -0.183 nan 8.360 nan 0.000 0.436 38 P HA -0.072 nan 4.420 nan 0.000 0.266 38 P C -1.132 176.241 177.300 0.123 0.000 1.186 38 P CA 0.305 63.472 63.100 0.111 0.000 0.767 38 P CB 0.429 32.196 31.700 0.113 0.000 0.820 39 V N 2.289 122.294 119.914 0.152 0.000 2.841 39 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 39 V C -0.248 175.923 176.094 0.128 0.000 1.090 39 V CA -0.525 61.868 62.300 0.156 0.000 0.930 39 V CB 2.185 34.128 31.823 0.201 0.000 1.014 39 V HN 0.492 nan 8.190 nan 0.000 0.425 40 E N 3.587 123.829 120.200 0.070 0.000 2.191 40 E HA 0.591 4.941 4.350 -0.000 0.000 0.263 40 E C -1.596 174.925 176.600 -0.133 0.000 0.881 40 E CA -0.569 55.734 56.400 -0.161 0.000 0.757 40 E CB 1.559 31.162 29.700 -0.162 0.000 1.147 40 E HN 0.641 nan 8.360 nan 0.000 0.414 41 I N 4.490 124.908 120.570 -0.253 0.000 2.355 41 I HA 0.195 4.365 4.170 -0.000 0.000 0.288 41 I C 0.054 175.995 176.117 -0.294 0.000 0.999 41 I CA -0.528 60.660 61.300 -0.188 0.000 1.163 41 I CB 1.505 39.376 38.000 -0.216 0.000 1.316 41 I HN 0.416 nan 8.210 nan 0.000 0.454 42 Q N 3.901 123.564 119.800 -0.229 0.000 2.221 42 Q HA 0.317 4.657 4.340 -0.000 0.000 0.242 42 Q C 0.318 176.210 176.000 -0.179 0.000 0.940 42 Q CA -0.730 54.933 55.803 -0.233 0.000 0.896 42 Q CB 0.761 29.387 28.738 -0.187 0.000 1.226 42 Q HN 0.567 nan 8.270 nan 0.000 0.463 43 N N -0.483 118.127 118.700 -0.151 0.000 2.758 43 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 43 N C -1.761 173.690 175.510 -0.098 0.000 1.076 43 N CA 0.247 53.232 53.050 -0.107 0.000 0.696 43 N CB -0.909 37.516 38.487 -0.103 0.000 0.979 43 N HN 0.323 nan 8.380 nan 0.000 0.550 44 V N 1.816 121.664 119.914 -0.110 0.000 2.406 44 V HA 0.414 4.534 4.120 -0.000 0.000 0.272 44 V C -1.389 174.671 176.094 -0.056 0.000 1.043 44 V CA -1.143 61.101 62.300 -0.092 0.000 0.915 44 V CB 1.233 32.986 31.823 -0.117 0.000 0.988 44 V HN 0.211 nan 8.190 nan 0.000 0.466 45 P HA 0.126 nan 4.420 nan 0.000 0.270 45 P C -0.698 176.600 177.300 -0.004 0.000 1.223 45 P CA -0.369 62.724 63.100 -0.012 0.000 0.785 45 P CB 0.851 32.547 31.700 -0.006 0.000 0.923 46 K N 2.362 122.770 120.400 0.014 0.000 2.229 46 K HA 0.391 4.711 4.320 -0.000 0.000 0.247 46 K C -0.209 176.409 176.600 0.032 0.000 1.117 46 K CA -0.185 56.115 56.287 0.021 0.000 1.036 46 K CB -0.135 32.382 32.500 0.028 0.000 1.654 46 K HN 0.425 nan 8.250 nan 0.000 0.405 47 L N 0.974 122.213 121.223 0.026 0.000 2.333 47 L HA 0.328 4.668 4.340 -0.000 0.000 0.263 47 L C 1.519 178.408 176.870 0.032 0.000 1.014 47 L CA -0.872 53.990 54.840 0.037 0.000 0.820 47 L CB 1.684 43.766 42.059 0.039 0.000 1.352 47 L HN 0.333 nan 8.230 nan 0.000 0.421 48 K N 0.499 120.922 120.400 0.038 0.000 2.034 48 K HA -0.231 4.089 4.320 -0.000 0.000 0.214 48 K C 1.074 177.690 176.600 0.026 0.000 1.051 48 K CA 2.304 58.608 56.287 0.029 0.000 0.931 48 K CB 0.101 32.620 32.500 0.033 0.000 0.715 48 K HN 0.640 nan 8.250 nan 0.000 0.446 49 D N 0.410 120.833 120.400 0.038 0.000 2.218 49 D HA -0.139 4.501 4.640 -0.000 0.000 0.204 49 D C 1.855 178.178 176.300 0.039 0.000 0.976 49 D CA 0.749 54.779 54.000 0.050 0.000 0.853 49 D CB 0.006 40.850 40.800 0.072 0.000 0.939 49 D HN 0.238 nan 8.370 nan 0.000 0.481 50 I N 0.868 121.450 120.570 0.020 0.000 2.193 50 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 50 I C 2.173 178.279 176.117 -0.018 0.000 1.084 50 I CA 1.085 62.379 61.300 -0.009 0.000 1.365 50 I CB -1.015 36.977 38.000 -0.013 0.000 1.064 50 I HN -0.045 nan 8.210 nan 0.000 0.410 51 D N 0.719 121.118 120.400 -0.003 0.000 2.123 51 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 51 D C 2.047 178.342 176.300 -0.008 0.000 0.992 51 D CA 1.833 55.831 54.000 -0.005 0.000 0.833 51 D CB 0.146 40.948 40.800 0.003 0.000 0.954 51 D HN 0.165 nan 8.370 nan 0.000 0.455 52 T N -1.055 113.500 114.554 0.001 0.000 2.720 52 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 52 T C 1.897 176.603 174.700 0.009 0.000 1.037 52 T CA 1.859 63.963 62.100 0.006 0.000 1.144 52 T CB -0.627 68.252 68.868 0.018 0.000 0.864 52 T HN 0.203 nan 8.240 nan 0.000 0.444 53 T N 1.969 116.518 114.554 -0.008 0.000 2.821 53 T HA 0.046 4.396 4.350 -0.000 0.000 0.267 53 T C 2.053 176.673 174.700 -0.132 0.000 1.046 53 T CA 0.952 62.997 62.100 -0.092 0.000 1.139 53 T CB -0.304 68.432 68.868 -0.220 0.000 0.871 53 T HN 0.317 nan 8.240 nan 0.000 0.454 54 M N 0.645 120.192 119.600 -0.089 0.000 2.080 54 M HA -0.122 4.358 4.480 -0.000 0.000 0.260 54 M C 2.341 178.620 176.300 -0.035 0.000 1.068 54 M CA 1.737 56.999 55.300 -0.064 0.000 1.109 54 M CB -0.341 32.240 32.600 -0.032 0.000 1.342 54 M HN 0.137 nan 8.290 nan 0.000 0.405 55 K N 0.327 120.715 120.400 -0.020 0.000 2.057 55 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 55 K C 1.955 178.555 176.600 0.000 0.000 1.049 55 K CA 1.105 57.388 56.287 -0.008 0.000 0.931 55 K CB -0.330 32.166 32.500 -0.007 0.000 0.714 55 K HN 0.338 nan 8.250 nan 0.000 0.440 56 L N 1.312 122.541 121.223 0.010 0.000 2.017 56 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 56 L C 2.103 178.998 176.870 0.041 0.000 1.073 56 L CA 1.311 56.180 54.840 0.048 0.000 0.745 56 L CB -0.166 41.962 42.059 0.116 0.000 0.894 56 L HN 0.207 nan 8.230 nan 0.000 0.432 57 L N -0.846 120.376 121.223 -0.002 0.000 2.046 57 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 57 L C 2.510 179.383 176.870 0.006 0.000 1.077 57 L CA 1.759 56.598 54.840 -0.001 0.000 0.747 57 L CB -1.008 41.015 42.059 -0.060 0.000 0.896 57 L HN 0.293 nan 8.230 nan 0.000 0.432 58 T N -1.105 113.447 114.554 -0.003 0.000 2.788 58 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 58 T C 1.818 176.512 174.700 -0.010 0.000 1.044 58 T CA 1.517 63.615 62.100 -0.003 0.000 1.139 58 T CB -0.152 68.714 68.868 -0.003 0.000 0.867 58 T HN 0.226 nan 8.240 nan 0.000 0.454 59 Q N 0.745 120.541 119.800 -0.006 0.000 2.291 59 Q HA 0.067 4.406 4.340 -0.000 0.000 0.206 59 Q C 1.677 177.657 176.000 -0.034 0.000 0.976 59 Q CA 1.221 57.016 55.803 -0.013 0.000 0.875 59 Q CB -0.573 28.168 28.738 0.006 0.000 0.927 59 Q HN 0.518 nan 8.270 nan 0.000 0.450 60 L N -1.631 119.577 121.223 -0.025 0.000 2.592 60 L HA 0.311 4.651 4.340 -0.000 0.000 0.227 60 L C 1.042 177.845 176.870 -0.111 0.000 1.127 60 L CA 0.412 55.213 54.840 -0.066 0.000 0.884 60 L CB 0.067 42.130 42.059 0.007 0.000 1.065 60 L HN 0.451 nan 8.230 nan 0.000 0.457 61 G N 0.049 108.808 108.800 -0.069 0.000 2.138 61 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 61 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 61 G C 0.134 175.025 174.900 -0.014 0.000 0.998 61 G CA -0.133 44.928 45.100 -0.064 0.000 0.668 61 G HN 0.205 nan 8.290 nan 0.000 0.516 62 T N 1.407 115.966 114.554 0.007 0.000 2.845 62 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 62 T C 0.328 175.045 174.700 0.029 0.000 0.980 62 T CA -0.268 61.853 62.100 0.035 0.000 1.071 62 T CB 1.496 70.389 68.868 0.043 0.000 0.941 62 T HN 0.309 nan 8.240 nan 0.000 0.487 63 K N 2.348 122.774 120.400 0.043 0.000 2.276 63 K HA 0.545 4.865 4.320 -0.000 0.000 0.285 63 K C -0.900 175.734 176.600 0.057 0.000 1.062 63 K CA -0.554 55.758 56.287 0.041 0.000 0.918 63 K CB 0.930 33.456 32.500 0.043 0.000 1.055 63 K HN 0.263 nan 8.250 nan 0.000 0.477 64 V N 3.286 123.230 119.914 0.050 0.000 2.709 64 V HA 0.347 4.467 4.120 -0.000 0.000 0.308 64 V C -0.625 175.516 176.094 0.080 0.000 1.062 64 V CA -0.833 61.507 62.300 0.066 0.000 0.901 64 V CB 1.813 33.655 31.823 0.033 0.000 1.003 64 V HN 0.922 nan 8.190 nan 0.000 0.425 65 E N 4.203 124.488 120.200 0.141 0.000 2.407 65 E HA 0.809 5.159 4.350 -0.000 0.000 0.279 65 E C -1.221 175.560 176.600 0.302 0.000 1.012 65 E CA -1.335 55.160 56.400 0.159 0.000 0.800 65 E CB 3.021 32.777 29.700 0.093 0.000 1.276 65 E HN 0.734 nan 8.360 nan 0.000 0.452 66 R N -0.081 120.582 120.500 0.273 0.000 2.795 66 R HA 0.384 4.724 4.340 -0.000 0.000 0.268 66 R C -0.572 175.926 176.300 0.331 0.000 1.041 66 R CA -0.503 55.798 56.100 0.335 0.000 0.927 66 R CB 0.604 30.983 30.300 0.130 0.000 1.235 66 R HN 0.535 nan 8.270 nan 0.000 0.463 67 D N 0.580 121.182 120.400 0.336 0.000 1.992 67 D HA 0.018 4.658 4.640 -0.000 0.000 0.280 67 D C 1.349 177.722 176.300 0.122 0.000 1.060 67 D CA 1.081 55.228 54.000 0.245 0.000 0.877 67 D CB -1.019 39.929 40.800 0.246 0.000 1.010 67 D HN 0.647 nan 8.370 nan 0.000 0.385 68 G N -1.286 107.544 108.800 0.051 0.000 2.986 68 G HA2 0.238 4.198 3.960 -0.000 0.000 0.213 68 G HA3 0.238 4.198 3.960 -0.000 0.000 0.213 68 G C 0.262 175.077 174.900 -0.142 0.000 1.156 68 G CA 0.001 45.083 45.100 -0.031 0.000 0.763 68 G HN 0.335 nan 8.290 nan 0.000 0.547 69 S N -1.094 114.433 115.700 -0.289 0.000 2.704 69 S HA 0.682 5.152 4.470 -0.000 0.000 0.305 69 S C -0.864 173.394 174.600 -0.569 0.000 1.107 69 S CA -0.490 57.340 58.200 -0.617 0.000 0.993 69 S CB 2.490 64.942 63.200 -1.246 0.000 1.110 69 S HN -0.064 nan 8.310 nan 0.000 0.534 70 V N 1.862 121.463 119.914 -0.522 0.000 2.483 70 V HA 0.378 4.498 4.120 -0.000 0.000 0.297 70 V C -1.090 174.854 176.094 -0.250 0.000 1.027 70 V CA -0.608 61.561 62.300 -0.218 0.000 0.855 70 V CB 1.229 32.970 31.823 -0.136 0.000 0.995 70 V HN 0.783 nan 8.190 nan 0.000 0.424 71 W N 5.481 126.782 121.300 0.000 0.000 2.361 71 W HA 0.598 5.258 4.660 -0.000 0.000 0.309 71 W C -0.778 175.749 176.519 0.014 0.000 1.122 71 W CA -0.587 56.767 57.345 0.015 0.000 1.208 71 W CB 1.719 31.188 29.460 0.015 0.000 1.246 71 W HN 0.298 nan 8.180 nan 0.000 0.490 72 I N 3.124 123.813 120.570 0.199 0.000 2.465 72 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 72 I C -0.592 175.607 176.117 0.137 0.000 1.014 72 I CA -0.566 60.815 61.300 0.135 0.000 1.093 72 I CB 1.878 39.931 38.000 0.089 0.000 1.267 72 I HN 0.277 nan 8.210 nan 0.000 0.431 73 D N 5.138 125.605 120.400 0.112 0.000 2.440 73 D HA 0.523 5.163 4.640 -0.000 0.000 0.252 73 D C 0.101 176.458 176.300 0.095 0.000 1.180 73 D CA -0.299 53.761 54.000 0.101 0.000 0.894 73 D CB 1.758 42.609 40.800 0.086 0.000 1.111 73 D HN 0.617 nan 8.370 nan 0.000 0.544 74 A N 2.567 125.454 122.820 0.112 0.000 2.460 74 A HA 0.125 4.445 4.320 -0.000 0.000 0.258 74 A C 1.815 179.496 177.584 0.161 0.000 1.300 74 A CA 0.440 52.560 52.037 0.137 0.000 0.913 74 A CB -0.244 18.855 19.000 0.166 0.000 1.031 74 A HN 0.488 nan 8.150 nan 0.000 0.512 75 S N 0.521 116.295 115.700 0.124 0.000 2.400 75 S HA -0.203 4.267 4.470 -0.000 0.000 0.232 75 S C 0.958 175.643 174.600 0.142 0.000 1.025 75 S CA 1.732 60.005 58.200 0.122 0.000 0.993 75 S CB -0.603 62.648 63.200 0.085 0.000 0.808 75 S HN 0.706 nan 8.310 nan 0.000 0.478 76 N N 0.521 119.289 118.700 0.114 0.000 2.275 76 N HA 0.310 5.050 4.740 -0.000 0.000 0.236 76 N C -1.066 174.476 175.510 0.053 0.000 1.154 76 N CA -0.256 52.848 53.050 0.090 0.000 0.866 76 N CB 1.036 39.551 38.487 0.048 0.000 1.093 76 N HN 0.095 nan 8.380 nan 0.000 0.515 77 V N 3.095 123.064 119.914 0.091 0.000 2.583 77 V HA -0.103 4.017 4.120 -0.000 0.000 0.302 77 V C 0.707 176.657 176.094 -0.240 0.000 1.033 77 V CA 0.837 63.114 62.300 -0.038 0.000 1.194 77 V CB -0.005 31.867 31.823 0.081 0.000 0.879 77 V HN 0.604 nan 8.190 nan 0.000 0.482 78 N N 2.883 121.348 118.700 -0.392 0.000 2.116 78 N HA 0.087 4.827 4.740 -0.000 0.000 0.230 78 N C -0.327 174.565 175.510 -1.030 0.000 1.326 78 N CA -0.381 52.326 53.050 -0.572 0.000 0.867 78 N CB 0.181 38.523 38.487 -0.242 0.000 1.174 78 N HN 0.577 nan 8.380 nan 0.000 0.506 79 N N 0.304 118.384 118.700 -1.033 0.000 2.399 79 N HA 0.348 5.088 4.740 -0.000 0.000 0.284 79 N C -1.416 173.585 175.510 -0.849 0.000 1.025 79 N CA -0.600 51.930 53.050 -0.867 0.000 0.885 79 N CB 0.639 38.898 38.487 -0.381 0.000 1.339 79 N HN -0.027 nan 8.380 nan 0.000 0.487 80 F N 0.759 120.641 119.950 -0.113 0.000 2.668 80 F HA 0.376 4.902 4.527 -0.000 0.000 0.297 80 F C 0.956 176.754 175.800 -0.005 0.000 1.124 80 F CA -0.529 57.427 58.000 -0.073 0.000 1.353 80 F CB -0.041 38.914 39.000 -0.074 0.000 0.992 80 F HN 0.307 nan 8.300 nan 0.000 0.524 81 S N 1.101 116.841 115.700 0.066 0.000 2.519 81 S HA 0.806 5.276 4.470 -0.000 0.000 0.309 81 S C -0.464 174.228 174.600 0.153 0.000 1.100 81 S CA -0.521 57.746 58.200 0.112 0.000 1.059 81 S CB 0.930 64.144 63.200 0.023 0.000 1.008 81 S HN 0.181 nan 8.310 nan 0.000 0.478 82 A N 7.074 130.023 122.820 0.216 0.000 2.280 82 A HA 0.664 4.984 4.320 -0.000 0.000 0.320 82 A C -2.462 175.234 177.584 0.187 0.000 1.366 82 A CA -1.687 50.451 52.037 0.168 0.000 0.938 82 A CB 0.201 19.285 19.000 0.139 0.000 1.157 82 A HN 0.688 nan 8.150 nan 0.000 0.536 83 P HA -0.001 nan 4.420 nan 0.000 0.274 83 P C 0.405 177.714 177.300 0.016 0.000 1.237 83 P CA -0.147 63.034 63.100 0.134 0.000 0.793 83 P CB 0.726 32.518 31.700 0.153 0.000 0.977 84 Y N 3.151 123.384 120.300 -0.111 0.000 2.040 84 Y HA -0.331 4.219 4.550 -0.000 0.000 0.275 84 Y C 2.012 177.877 175.900 -0.057 0.000 1.171 84 Y CA 2.844 60.872 58.100 -0.119 0.000 1.123 84 Y CB -1.030 37.357 38.460 -0.122 0.000 0.963 84 Y HN 0.389 nan 8.280 nan 0.000 0.493 85 D N -0.104 120.186 120.400 -0.182 0.000 2.221 85 D HA -0.225 4.415 4.640 -0.000 0.000 0.204 85 D C 1.989 178.162 176.300 -0.211 0.000 0.982 85 D CA 1.689 55.550 54.000 -0.231 0.000 0.857 85 D CB -0.679 40.118 40.800 -0.006 0.000 0.934 85 D HN 0.506 nan 8.370 nan 0.000 0.475 86 L N 0.593 121.735 121.223 -0.136 0.000 2.416 86 L HA 0.025 4.365 4.340 -0.000 0.000 0.216 86 L C 2.433 179.247 176.870 -0.094 0.000 1.098 86 L CA 0.286 55.077 54.840 -0.083 0.000 0.840 86 L CB 0.294 42.343 42.059 -0.016 0.000 0.981 86 L HN 0.038 nan 8.230 nan 0.000 0.462 87 V N -2.828 116.995 119.914 -0.152 0.000 3.523 87 V HA -0.018 4.102 4.120 -0.000 0.000 0.255 87 V C 2.316 178.292 176.094 -0.196 0.000 1.226 87 V CA 0.395 62.618 62.300 -0.129 0.000 1.092 87 V CB -0.156 31.607 31.823 -0.101 0.000 0.817 87 V HN 0.422 nan 8.190 nan 0.000 0.458 88 K N 2.688 122.866 120.400 -0.370 0.000 2.163 88 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 88 K C 1.875 178.361 176.600 -0.191 0.000 1.048 88 K CA 2.589 58.639 56.287 -0.394 0.000 0.928 88 K CB -1.429 30.612 32.500 -0.764 0.000 0.716 88 K HN 0.670 nan 8.250 nan 0.000 0.459 89 T N -2.384 112.079 114.554 -0.151 0.000 3.129 89 T HA 0.159 4.509 4.350 -0.000 0.000 0.251 89 T C 0.696 175.363 174.700 -0.055 0.000 1.117 89 T CA -0.269 61.781 62.100 -0.083 0.000 1.034 89 T CB 0.045 68.873 68.868 -0.066 0.000 0.968 89 T HN 0.282 nan 8.240 nan 0.000 0.526 90 M N 1.355 120.915 119.600 -0.066 0.000 2.090 90 M HA 0.444 4.924 4.480 -0.000 0.000 0.277 90 M C 0.537 176.777 176.300 -0.099 0.000 0.935 90 M CA -0.948 54.322 55.300 -0.050 0.000 0.966 90 M CB 1.354 33.957 32.600 0.005 0.000 1.635 90 M HN -0.189 nan 8.290 nan 0.000 0.446 91 R N 1.856 122.278 120.500 -0.129 0.000 2.105 91 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 91 R C 1.612 177.708 176.300 -0.341 0.000 1.135 91 R CA 1.710 57.687 56.100 -0.207 0.000 0.967 91 R CB -0.713 29.473 30.300 -0.190 0.000 0.861 91 R HN 0.847 nan 8.270 nan 0.000 0.442 92 A N 1.484 124.096 122.820 -0.346 0.000 2.186 92 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 92 A C 2.156 179.416 177.584 -0.539 0.000 1.159 92 A CA 1.608 53.302 52.037 -0.571 0.000 0.680 92 A CB -0.545 18.309 19.000 -0.244 0.000 0.787 92 A HN 0.475 nan 8.150 nan 0.000 0.467 93 S N -0.173 115.338 115.700 -0.315 0.000 2.465 93 S HA -0.166 4.304 4.470 -0.000 0.000 0.241 93 S C 1.605 175.951 174.600 -0.424 0.000 1.000 93 S CA 1.151 59.184 58.200 -0.278 0.000 0.964 93 S CB -0.569 62.587 63.200 -0.072 0.000 0.763 93 S HN 0.497 nan 8.310 nan 0.000 0.512 94 I N 0.932 121.202 120.570 -0.501 0.000 2.700 94 I HA 0.013 4.183 4.170 -0.000 0.000 0.261 94 I C 1.440 177.310 176.117 -0.411 0.000 1.219 94 I CA 0.186 61.200 61.300 -0.477 0.000 1.463 94 I CB -0.788 36.806 38.000 -0.676 0.000 1.092 94 I HN 0.341 nan 8.210 nan 0.000 0.452 95 W N 0.541 121.450 121.300 -0.651 0.000 2.721 95 W HA 0.072 4.732 4.660 -0.000 0.000 0.245 95 W C 2.295 178.543 176.519 -0.452 0.000 1.276 95 W CA 0.757 57.761 57.345 -0.569 0.000 1.342 95 W CB -1.116 27.939 29.460 -0.675 0.000 1.135 95 W HN 0.316 nan 8.180 nan 0.000 0.654 96 A N -0.498 122.185 122.820 -0.227 0.000 2.072 96 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 96 A C 1.936 179.609 177.584 0.150 0.000 1.156 96 A CA 0.659 52.782 52.037 0.145 0.000 0.701 96 A CB -0.517 18.634 19.000 0.250 0.000 0.816 96 A HN 0.128 nan 8.150 nan 0.000 0.458 97 L N 0.298 121.567 121.223 0.075 0.000 1.989 97 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 97 L C 2.447 179.391 176.870 0.123 0.000 1.071 97 L CA 2.387 57.286 54.840 0.097 0.000 0.749 97 L CB -1.077 41.013 42.059 0.052 0.000 0.890 97 L HN 0.311 nan 8.230 nan 0.000 0.431 98 G N -0.762 108.118 108.800 0.134 0.000 2.459 98 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 98 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 98 G C -0.637 174.334 174.900 0.118 0.000 1.183 98 G CA 0.983 46.159 45.100 0.127 0.000 0.776 98 G HN 0.373 nan 8.290 nan 0.000 0.552 99 P HA -0.021 nan 4.420 nan 0.000 0.216 99 P C 2.135 179.542 177.300 0.179 0.000 1.153 99 P CA 0.633 63.823 63.100 0.150 0.000 0.848 99 P CB -0.082 31.740 31.700 0.203 0.000 0.787 100 L N -0.976 120.390 121.223 0.239 0.000 1.989 100 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 100 L C 2.464 179.445 176.870 0.185 0.000 1.071 100 L CA 1.518 56.546 54.840 0.315 0.000 0.749 100 L CB -1.283 40.946 42.059 0.283 0.000 0.890 100 L HN -0.087 nan 8.230 nan 0.000 0.431 101 V N -0.074 119.902 119.914 0.104 0.000 2.407 101 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 101 V C 2.580 178.677 176.094 0.005 0.000 1.055 101 V CA 1.840 64.165 62.300 0.041 0.000 1.049 101 V CB -0.122 31.727 31.823 0.044 0.000 0.662 101 V HN 0.436 nan 8.190 nan 0.000 0.455 102 A N 0.015 122.841 122.820 0.011 0.000 1.930 102 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 102 A C 2.419 179.936 177.584 -0.113 0.000 1.175 102 A CA 2.018 54.035 52.037 -0.033 0.000 0.627 102 A CB -0.529 18.463 19.000 -0.014 0.000 0.815 102 A HN 0.622 nan 8.150 nan 0.000 0.443 103 R N -2.412 117.979 120.500 -0.182 0.000 2.156 103 R HA 0.159 4.499 4.340 -0.000 0.000 0.207 103 R C 0.834 176.708 176.300 -0.710 0.000 1.040 103 R CA 0.839 56.655 56.100 -0.473 0.000 1.013 103 R CB -0.027 29.891 30.300 -0.637 0.000 0.931 103 R HN 0.454 nan 8.270 nan 0.000 0.465 104 F N -0.828 119.029 119.950 -0.154 0.000 2.682 104 F HA 0.398 4.925 4.527 -0.000 0.000 0.308 104 F C 1.359 176.976 175.800 -0.305 0.000 1.093 104 F CA 0.345 58.157 58.000 -0.313 0.000 1.244 104 F CB 1.413 39.984 39.000 -0.715 0.000 1.052 104 F HN 0.258 nan 8.300 nan 0.000 0.573 105 G N 1.210 109.962 108.800 -0.080 0.000 2.184 105 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 105 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 105 G C 0.035 174.895 174.900 -0.066 0.000 0.975 105 G CA 0.508 45.569 45.100 -0.064 0.000 0.642 105 G HN 0.526 nan 8.290 nan 0.000 0.536 106 Q N -1.779 117.957 119.800 -0.107 0.000 2.472 106 Q HA 0.655 4.995 4.340 -0.000 0.000 0.281 106 Q C -0.498 175.481 176.000 -0.035 0.000 0.997 106 Q CA -0.565 55.191 55.803 -0.078 0.000 0.828 106 Q CB 1.732 30.411 28.738 -0.099 0.000 1.443 106 Q HN 1.615 nan 8.270 nan 0.000 0.390 107 G N 1.186 110.022 108.800 0.060 0.000 2.616 107 G HA2 0.492 4.452 3.960 -0.000 0.000 0.294 107 G HA3 0.492 4.452 3.960 -0.000 0.000 0.294 107 G C -2.158 172.817 174.900 0.125 0.000 1.489 107 G CA -0.579 44.604 45.100 0.138 0.000 0.836 107 G HN 0.832 nan 8.290 nan 0.000 0.527 108 Q N -0.477 119.416 119.800 0.155 0.000 2.284 108 Q HA 0.720 5.060 4.340 -0.000 0.000 0.269 108 Q C -1.826 174.335 176.000 0.269 0.000 1.026 108 Q CA -1.065 54.843 55.803 0.175 0.000 0.831 108 Q CB 2.751 31.539 28.738 0.082 0.000 1.322 108 Q HN 0.495 nan 8.270 nan 0.000 0.419 109 V N 1.763 121.830 119.914 0.255 0.000 2.540 109 V HA 0.413 4.533 4.120 -0.000 0.000 0.302 109 V C -0.117 176.013 176.094 0.060 0.000 1.035 109 V CA -0.713 61.685 62.300 0.163 0.000 0.873 109 V CB 1.832 33.673 31.823 0.031 0.000 0.992 109 V HN 0.918 nan 8.190 nan 0.000 0.428 110 S N 5.504 121.112 115.700 -0.154 0.000 2.537 110 S HA 0.397 4.867 4.470 -0.000 0.000 0.286 110 S C -0.650 173.821 174.600 -0.215 0.000 1.299 110 S CA -0.046 57.859 58.200 -0.492 0.000 1.067 110 S CB -0.070 62.866 63.200 -0.439 0.000 0.864 110 S HN 0.636 nan 8.310 nan 0.000 0.494 111 L N 7.333 128.443 121.223 -0.189 0.000 2.409 111 L HA 0.598 4.938 4.340 -0.000 0.000 0.272 111 L C -2.245 174.584 176.870 -0.069 0.000 0.980 111 L CA -2.053 52.725 54.840 -0.103 0.000 0.826 111 L CB 2.374 44.384 42.059 -0.082 0.000 1.268 111 L HN 0.596 nan 8.230 nan 0.000 0.407 112 P HA 0.320 nan 4.420 nan 0.000 0.276 112 P C 0.342 177.625 177.300 -0.029 0.000 1.244 112 P CA 0.379 63.471 63.100 -0.013 0.000 0.801 112 P CB 1.587 33.301 31.700 0.023 0.000 1.006 113 G N -0.259 108.524 108.800 -0.027 0.000 2.195 113 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.246 113 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.246 113 G C 0.622 175.509 174.900 -0.022 0.000 0.984 113 G CA 0.370 45.456 45.100 -0.024 0.000 0.633 113 G HN 1.013 nan 8.290 nan 0.000 0.525 117 I N 1.443 122.031 120.570 0.029 0.000 2.233 117 I HA -0.033 4.137 4.170 -0.000 0.000 0.243 117 I C 1.910 178.054 176.117 0.046 0.000 1.093 117 I CA 2.115 63.438 61.300 0.038 0.000 1.380 117 I CB -1.156 36.862 38.000 0.030 0.000 1.067 117 I HN 0.873 nan 8.210 nan 0.000 0.413 118 G N 1.007 109.828 108.800 0.035 0.000 2.414 118 G HA2 0.273 4.233 3.960 -0.000 0.000 0.236 118 G HA3 0.273 4.233 3.960 -0.000 0.000 0.236 118 G C 0.214 175.141 174.900 0.045 0.000 1.293 118 G CA 0.127 45.249 45.100 0.037 0.000 0.869 118 G HN 0.450 nan 8.290 nan 0.000 0.556 119 A N 2.580 125.434 122.820 0.057 0.000 2.477 119 A HA 0.588 4.908 4.320 -0.000 0.000 0.246 119 A C 0.749 178.351 177.584 0.030 0.000 1.078 119 A CA 0.105 52.183 52.037 0.068 0.000 0.770 119 A CB 0.317 19.370 19.000 0.089 0.000 1.011 119 A HN 0.797 nan 8.150 nan 0.000 0.494 120 R N 2.529 123.029 120.500 0.001 0.000 2.837 120 R HA 0.468 4.808 4.340 -0.000 0.000 0.271 120 R C -2.025 174.255 176.300 -0.034 0.000 0.993 120 R CA -1.701 54.388 56.100 -0.019 0.000 0.931 120 R CB 1.015 31.294 30.300 -0.035 0.000 1.206 120 R HN 0.443 nan 8.270 nan 0.000 0.474 121 P HA -0.182 nan 4.420 nan 0.000 0.216 121 P C 1.125 178.422 177.300 -0.005 0.000 1.150 121 P CA 1.235 64.327 63.100 -0.013 0.000 0.843 121 P CB 0.088 31.778 31.700 -0.017 0.000 0.787 122 V N 1.397 121.278 119.914 -0.056 0.000 2.392 122 V HA -0.229 3.890 4.120 -0.000 0.000 0.249 122 V C 2.208 178.231 176.094 -0.118 0.000 1.059 122 V CA 2.232 64.486 62.300 -0.077 0.000 1.051 122 V CB -1.521 30.227 31.823 -0.125 0.000 0.658 122 V HN 0.080 nan 8.190 nan 0.000 0.455 123 D N 0.496 120.742 120.400 -0.256 0.000 2.158 123 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 123 D C 2.136 177.957 176.300 -0.799 0.000 0.995 123 D CA 1.256 54.856 54.000 -0.666 0.000 0.846 123 D CB -0.282 40.080 40.800 -0.730 0.000 0.941 123 D HN 0.389 nan 8.370 nan 0.000 0.456 124 L N 0.418 121.448 121.223 -0.322 0.000 2.079 124 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 124 L C 2.525 179.304 176.870 -0.151 0.000 1.081 124 L CA 1.135 55.883 54.840 -0.153 0.000 0.752 124 L CB -0.443 41.561 42.059 -0.091 0.000 0.896 124 L HN 0.206 nan 8.230 nan 0.000 0.433 125 H N -0.421 118.573 119.070 -0.127 0.000 2.357 125 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 125 H C 2.434 177.725 175.328 -0.061 0.000 1.082 125 H CA 1.651 57.666 56.048 -0.055 0.000 1.342 125 H CB 0.058 29.779 29.762 -0.068 0.000 1.389 125 H HN 0.358 nan 8.280 nan 0.000 0.511 126 I N 0.521 121.063 120.570 -0.047 0.000 2.179 126 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 126 I C 2.149 178.307 176.117 0.068 0.000 1.088 126 I CA 1.119 62.382 61.300 -0.062 0.000 1.357 126 I CB -0.340 37.535 38.000 -0.207 0.000 1.051 126 I HN 0.047 nan 8.210 nan 0.000 0.409 127 F N 1.145 121.121 119.950 0.044 0.000 2.171 127 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 127 F C 2.578 178.393 175.800 0.025 0.000 1.090 127 F CA 1.019 59.036 58.000 0.027 0.000 1.293 127 F CB -1.855 37.154 39.000 0.016 0.000 1.013 127 F HN 0.027 nan 8.300 nan 0.000 0.486 128 G N 0.184 109.098 108.800 0.190 0.000 2.418 128 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 128 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 128 G C 1.800 176.762 174.900 0.103 0.000 1.158 128 G CA 0.690 45.860 45.100 0.116 0.000 0.771 128 G HN 0.350 nan 8.290 nan 0.000 0.545 129 L N -0.091 121.195 121.223 0.106 0.000 2.217 129 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 129 L C 2.780 179.702 176.870 0.086 0.000 1.107 129 L CA 0.711 55.603 54.840 0.088 0.000 0.783 129 L CB -0.298 41.813 42.059 0.086 0.000 0.919 129 L HN 0.273 nan 8.230 nan 0.000 0.442 130 E N -0.049 120.219 120.200 0.114 0.000 2.072 130 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 130 E C 2.075 178.722 176.600 0.079 0.000 0.985 130 E CA 0.638 57.101 56.400 0.105 0.000 0.801 130 E CB 0.079 29.870 29.700 0.152 0.000 0.750 130 E HN 0.162 nan 8.360 nan 0.000 0.452 131 K N 0.871 121.322 120.400 0.085 0.000 2.152 131 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 131 K C 1.847 178.476 176.600 0.048 0.000 1.048 131 K CA 0.879 57.201 56.287 0.059 0.000 0.933 131 K CB -0.179 32.360 32.500 0.064 0.000 0.721 131 K HN 0.197 nan 8.250 nan 0.000 0.447 132 L N -0.554 120.700 121.223 0.051 0.000 2.599 132 L HA 0.039 4.379 4.340 -0.000 0.000 0.230 132 L C 1.093 177.981 176.870 0.030 0.000 1.141 132 L CA 0.565 55.427 54.840 0.037 0.000 0.877 132 L CB -0.076 42.005 42.059 0.036 0.000 1.009 132 L HN 0.377 nan 8.230 nan 0.000 0.447 133 G N -0.422 108.399 108.800 0.035 0.000 2.163 133 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.213 133 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.213 133 G C 0.269 175.186 174.900 0.029 0.000 0.991 133 G CA -0.122 44.994 45.100 0.028 0.000 0.653 133 G HN 0.452 nan 8.290 nan 0.000 0.518 134 A N -0.145 122.698 122.820 0.039 0.000 2.302 134 A HA 0.738 5.058 4.320 -0.000 0.000 0.285 134 A C 0.211 177.822 177.584 0.045 0.000 1.105 134 A CA -0.157 51.903 52.037 0.038 0.000 0.816 134 A CB 0.627 19.654 19.000 0.045 0.000 1.067 134 A HN 0.368 nan 8.150 nan 0.000 0.489 135 E N 0.572 120.795 120.200 0.039 0.000 2.175 135 E HA 0.547 4.897 4.350 -0.000 0.000 0.278 135 E C -1.095 175.534 176.600 0.047 0.000 0.969 135 E CA -0.051 56.374 56.400 0.042 0.000 0.796 135 E CB 1.325 31.044 29.700 0.032 0.000 1.104 135 E HN 0.549 nan 8.360 nan 0.000 0.395 136 I N 3.108 123.712 120.570 0.057 0.000 2.689 136 I HA 0.431 4.601 4.170 -0.000 0.000 0.299 136 I C -0.598 175.552 176.117 0.055 0.000 1.059 136 I CA -0.811 60.523 61.300 0.057 0.000 1.055 136 I CB 1.941 39.979 38.000 0.064 0.000 1.243 136 I HN 0.458 nan 8.210 nan 0.000 0.425 137 K N 4.049 124.480 120.400 0.051 0.000 2.575 137 K HA 0.654 4.974 4.320 -0.000 0.000 0.279 137 K C -2.114 174.518 176.600 0.052 0.000 0.969 137 K CA -0.965 55.352 56.287 0.049 0.000 0.868 137 K CB 1.808 34.334 32.500 0.044 0.000 1.457 137 K HN 0.198 nan 8.250 nan 0.000 0.426 138 L N 2.084 123.337 121.223 0.049 0.000 2.287 138 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 138 L C -0.944 175.961 176.870 0.059 0.000 1.022 138 L CA 0.366 55.238 54.840 0.054 0.000 0.814 138 L CB 1.047 43.127 42.059 0.035 0.000 1.217 138 L HN 0.883 nan 8.230 nan 0.000 0.420 139 E N 1.969 122.220 120.200 0.085 0.000 2.380 139 E HA 0.360 4.710 4.350 -0.000 0.000 0.281 139 E C -0.979 175.696 176.600 0.125 0.000 0.999 139 E CA -0.844 55.604 56.400 0.079 0.000 0.800 139 E CB 1.172 30.905 29.700 0.055 0.000 1.228 139 E HN 0.555 nan 8.360 nan 0.000 0.436 140 E N 1.087 121.347 120.200 0.099 0.000 2.328 140 E HA -0.326 4.024 4.350 -0.000 0.000 0.233 140 E C 0.710 177.432 176.600 0.203 0.000 1.219 140 E CA 0.951 57.427 56.400 0.126 0.000 0.717 140 E CB -2.474 27.297 29.700 0.118 0.000 1.210 140 E HN 1.651 nan 8.360 nan 0.000 0.381 141 G N -1.063 107.801 108.800 0.107 0.000 2.162 141 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.260 141 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.260 141 G C -0.147 174.715 174.900 -0.065 0.000 0.976 141 G CA 0.802 45.906 45.100 0.007 0.000 0.655 141 G HN 0.493 nan 8.290 nan 0.000 0.533 142 Y N -1.614 118.694 120.300 0.013 0.000 2.549 142 Y HA 0.637 5.187 4.550 -0.000 0.000 0.339 142 Y C 0.338 176.243 175.900 0.008 0.000 1.053 142 Y CA -0.720 57.390 58.100 0.016 0.000 1.105 142 Y CB 2.214 40.689 38.460 0.025 0.000 1.258 142 Y HN 0.328 nan 8.280 nan 0.000 0.478 143 V N 3.614 123.632 119.914 0.173 0.000 2.394 143 V HA 0.509 4.629 4.120 -0.000 0.000 0.282 143 V C -1.150 175.021 176.094 0.127 0.000 1.031 143 V CA -0.658 61.701 62.300 0.098 0.000 0.881 143 V CB 0.656 32.498 31.823 0.032 0.000 0.982 143 V HN 0.725 nan 8.190 nan 0.000 0.451 144 K N 6.071 126.528 120.400 0.096 0.000 2.323 144 K HA 0.812 5.132 4.320 -0.000 0.000 0.259 144 K C -0.673 175.962 176.600 0.059 0.000 0.947 144 K CA -0.428 55.905 56.287 0.076 0.000 0.819 144 K CB 2.183 34.714 32.500 0.051 0.000 1.109 144 K HN 0.829 nan 8.250 nan 0.000 0.429 145 A N 1.686 124.541 122.820 0.059 0.000 2.350 145 A HA 0.755 5.075 4.320 -0.000 0.000 0.324 145 A C -0.605 177.001 177.584 0.037 0.000 1.118 145 A CA -0.603 51.464 52.037 0.050 0.000 0.783 145 A CB 1.240 20.274 19.000 0.057 0.000 1.236 145 A HN 0.726 nan 8.150 nan 0.000 0.457 146 S N -0.109 115.608 115.700 0.029 0.000 2.570 146 S HA 0.788 5.258 4.470 -0.000 0.000 0.270 146 S C -1.380 173.228 174.600 0.013 0.000 1.149 146 S CA -0.510 57.698 58.200 0.014 0.000 0.837 146 S CB 1.405 64.612 63.200 0.012 0.000 1.124 146 S HN 2.113 nan 8.310 nan 0.000 0.465 147 V N 1.482 121.398 119.914 0.002 0.000 2.852 147 V HA 0.473 4.593 4.120 -0.000 0.000 0.300 147 V C -1.229 174.861 176.094 -0.006 0.000 1.205 147 V CA -0.694 61.607 62.300 0.002 0.000 0.940 147 V CB 1.813 33.637 31.823 0.002 0.000 1.047 147 V HN 1.111 nan 8.190 nan 0.000 0.429 148 N N 4.384 123.082 118.700 -0.002 0.000 2.442 148 N HA 0.467 5.207 4.740 -0.000 0.000 0.265 148 N C 0.619 176.123 175.510 -0.010 0.000 1.138 148 N CA 1.071 54.118 53.050 -0.005 0.000 0.956 148 N CB 1.016 39.503 38.487 -0.000 0.000 1.067 148 N HN 1.392 nan 8.380 nan 0.000 0.474 149 G N 2.923 111.714 108.800 -0.016 0.000 2.547 149 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.271 149 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.271 149 G C -0.160 174.722 174.900 -0.030 0.000 1.209 149 G CA -0.266 44.821 45.100 -0.022 0.000 0.959 149 G HN 0.741 nan 8.290 nan 0.000 0.563 150 R N -0.407 120.076 120.500 -0.029 0.000 2.528 150 R HA 0.612 4.952 4.340 -0.000 0.000 0.271 150 R C 0.930 177.218 176.300 -0.021 0.000 1.056 150 R CA -0.727 55.354 56.100 -0.033 0.000 1.117 150 R CB 0.213 30.492 30.300 -0.035 0.000 1.085 150 R HN 0.493 nan 8.270 nan 0.000 0.530 151 L N 1.833 123.044 121.223 -0.020 0.000 2.475 151 L HA 0.229 4.569 4.340 -0.000 0.000 0.250 151 L C 0.362 177.228 176.870 -0.006 0.000 1.224 151 L CA 0.247 55.083 54.840 -0.007 0.000 0.821 151 L CB 0.339 42.397 42.059 -0.002 0.000 1.141 151 L HN 0.538 nan 8.230 nan 0.000 0.494 152 K N 0.145 120.546 120.400 0.001 0.000 2.426 152 K HA 0.377 4.697 4.320 -0.000 0.000 0.254 152 K C -0.354 176.248 176.600 0.004 0.000 0.936 152 K CA -0.619 55.669 56.287 0.001 0.000 0.801 152 K CB 1.666 34.169 32.500 0.004 0.000 1.139 152 K HN 0.687 nan 8.250 nan 0.000 0.424 153 G N 2.003 110.802 108.800 -0.002 0.000 2.414 153 G HA2 0.392 4.352 3.960 -0.000 0.000 0.236 153 G HA3 0.392 4.352 3.960 -0.000 0.000 0.236 153 G C -0.664 174.242 174.900 0.010 0.000 1.293 153 G CA -0.065 45.034 45.100 -0.002 0.000 0.869 153 G HN 0.679 nan 8.290 nan 0.000 0.556 154 A N 1.647 124.478 122.820 0.018 0.000 2.566 154 A HA 0.678 4.997 4.320 -0.000 0.000 0.292 154 A C -0.921 176.706 177.584 0.072 0.000 1.112 154 A CA -0.775 51.290 52.037 0.047 0.000 0.707 154 A CB 1.119 20.149 19.000 0.050 0.000 1.302 154 A HN 0.924 nan 8.150 nan 0.000 0.409 155 H N 0.436 119.506 119.070 -0.000 0.000 2.705 155 H HA 0.594 5.150 4.556 -0.000 0.000 0.291 155 H C -0.943 174.385 175.328 0.001 0.000 1.085 155 H CA -0.263 55.785 56.048 -0.001 0.000 1.357 155 H CB 0.187 29.947 29.762 -0.003 0.000 1.419 155 H HN 0.467 nan 8.280 nan 0.000 0.462 156 I N 5.797 126.508 120.570 0.235 0.000 2.377 156 I HA 0.169 4.339 4.170 -0.000 0.000 0.293 156 I C -0.641 175.556 176.117 0.133 0.000 0.987 156 I CA -0.826 60.554 61.300 0.134 0.000 1.185 156 I CB 1.846 39.896 38.000 0.083 0.000 1.341 156 I HN 0.325 nan 8.210 nan 0.000 0.455 157 V N 6.869 126.822 119.914 0.064 0.000 2.350 157 V HA 0.338 4.458 4.120 -0.000 0.000 0.285 157 V C 0.022 176.133 176.094 0.029 0.000 1.014 157 V CA -0.580 61.743 62.300 0.040 0.000 0.831 157 V CB 1.389 33.205 31.823 -0.012 0.000 1.000 157 V HN 0.624 nan 8.190 nan 0.000 0.433 158 M N 4.069 123.689 119.600 0.034 0.000 2.146 158 M HA 0.228 4.708 4.480 -0.000 0.000 0.352 158 M C 1.095 177.407 176.300 0.019 0.000 1.343 158 M CA -0.156 55.161 55.300 0.029 0.000 1.115 158 M CB 0.698 33.315 32.600 0.028 0.000 1.657 158 M HN 0.787 nan 8.290 nan 0.000 0.471 159 D N 2.183 122.595 120.400 0.020 0.000 2.117 159 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 159 D C 0.121 176.427 176.300 0.011 0.000 0.987 159 D CA 1.430 55.437 54.000 0.012 0.000 0.829 159 D CB 0.068 40.877 40.800 0.016 0.000 0.961 159 D HN 0.437 nan 8.370 nan 0.000 0.460 160 K N -0.237 120.172 120.400 0.015 0.000 2.469 160 K HA 0.425 4.745 4.320 -0.000 0.000 0.254 160 K C -1.381 175.223 176.600 0.006 0.000 0.939 160 K CA -0.956 55.334 56.287 0.006 0.000 0.812 160 K CB 2.777 35.279 32.500 0.004 0.000 1.301 160 K HN -0.158 nan 8.250 nan 0.000 0.433 161 V N 2.073 121.986 119.914 -0.000 0.000 2.599 161 V HA 0.090 4.210 4.120 -0.000 0.000 0.300 161 V C 0.114 176.211 176.094 0.004 0.000 1.034 161 V CA 0.232 62.534 62.300 0.004 0.000 1.115 161 V CB 1.027 32.851 31.823 0.002 0.000 0.934 161 V HN 0.685 nan 8.190 nan 0.000 0.485 162 S N 3.630 119.337 115.700 0.011 0.000 2.736 162 S HA 0.374 4.844 4.470 -0.000 0.000 0.285 162 S C 0.369 174.992 174.600 0.038 0.000 1.163 162 S CA -0.621 57.587 58.200 0.014 0.000 1.025 162 S CB 1.755 64.945 63.200 -0.015 0.000 1.030 162 S HN 0.366 nan 8.310 nan 0.000 0.486 163 V N 5.304 125.263 119.914 0.075 0.000 2.307 163 V HA -0.013 4.107 4.120 -0.000 0.000 0.245 163 V C 2.655 178.882 176.094 0.223 0.000 1.045 163 V CA 2.588 64.965 62.300 0.128 0.000 1.024 163 V CB -1.116 30.797 31.823 0.149 0.000 0.651 163 V HN 0.932 nan 8.190 nan 0.000 0.449 164 G N -0.399 108.543 108.800 0.236 0.000 2.421 164 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.216 164 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.216 164 G C 1.737 176.718 174.900 0.134 0.000 1.171 164 G CA 1.065 46.394 45.100 0.382 0.000 0.775 164 G HN 0.612 nan 8.290 nan 0.000 0.543 165 A N -0.054 122.613 122.820 -0.254 0.000 1.968 165 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 165 A C 2.500 180.048 177.584 -0.060 0.000 1.169 165 A CA 2.244 54.072 52.037 -0.348 0.000 0.638 165 A CB -0.749 18.084 19.000 -0.279 0.000 0.812 165 A HN 0.287 nan 8.150 nan 0.000 0.446 166 T N -0.229 114.329 114.554 0.007 0.000 2.746 166 T HA -0.132 4.217 4.350 -0.000 0.000 0.267 166 T C 1.882 176.601 174.700 0.032 0.000 1.039 166 T CA 1.638 63.752 62.100 0.024 0.000 1.142 166 T CB -0.401 68.485 68.868 0.030 0.000 0.866 166 T HN 0.154 nan 8.240 nan 0.000 0.444 167 V N 1.374 121.328 119.914 0.067 0.000 2.295 167 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 167 V C 2.797 178.895 176.094 0.005 0.000 1.049 167 V CA 2.087 64.368 62.300 -0.031 0.000 1.024 167 V CB -1.090 30.599 31.823 -0.223 0.000 0.648 167 V HN 0.520 nan 8.190 nan 0.000 0.447 168 T N 0.239 114.894 114.554 0.169 0.000 2.708 168 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 168 T C 1.779 176.542 174.700 0.104 0.000 1.037 168 T CA 1.911 64.139 62.100 0.213 0.000 1.146 168 T CB -0.265 68.831 68.868 0.379 0.000 0.865 168 T HN 0.353 nan 8.240 nan 0.000 0.435 169 I N 0.754 121.363 120.570 0.065 0.000 2.202 169 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 169 I C 2.599 178.730 176.117 0.022 0.000 1.091 169 I CA 1.314 62.639 61.300 0.042 0.000 1.368 169 I CB -0.431 37.588 38.000 0.031 0.000 1.058 169 I HN 0.255 nan 8.210 nan 0.000 0.410 170 M N 0.597 120.202 119.600 0.008 0.000 2.080 170 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 170 M C 2.459 178.750 176.300 -0.015 0.000 1.068 170 M CA 1.993 57.286 55.300 -0.010 0.000 1.109 170 M CB -0.037 32.550 32.600 -0.022 0.000 1.342 170 M HN 0.127 nan 8.290 nan 0.000 0.405 171 S N 0.976 116.669 115.700 -0.012 0.000 2.343 171 S HA -0.109 4.361 4.470 -0.000 0.000 0.219 171 S C 2.081 176.685 174.600 0.007 0.000 1.033 171 S CA 1.478 59.674 58.200 -0.006 0.000 1.014 171 S CB -0.740 62.459 63.200 -0.001 0.000 0.915 171 S HN 0.707 nan 8.310 nan 0.000 0.435 172 A N 1.589 124.425 122.820 0.026 0.000 1.940 172 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 172 A C 2.345 179.931 177.584 0.004 0.000 1.176 172 A CA 1.746 53.798 52.037 0.025 0.000 0.631 172 A CB -1.094 17.934 19.000 0.047 0.000 0.814 172 A HN 0.529 nan 8.150 nan 0.000 0.446 173 A N -0.065 122.755 122.820 0.001 0.000 1.978 173 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 173 A C 2.389 179.957 177.584 -0.026 0.000 1.170 173 A CA 2.483 54.514 52.037 -0.011 0.000 0.636 173 A CB -1.549 17.444 19.000 -0.012 0.000 0.810 173 A HN 0.905 nan 8.150 nan 0.000 0.448 174 T N -2.010 112.524 114.554 -0.033 0.000 2.869 174 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 174 T C 1.220 175.889 174.700 -0.051 0.000 1.082 174 T CA 1.612 63.684 62.100 -0.048 0.000 1.123 174 T CB -0.391 68.440 68.868 -0.061 0.000 0.856 174 T HN 0.343 nan 8.240 nan 0.000 0.499 175 L N 0.254 121.449 121.223 -0.047 0.000 2.857 175 L HA 0.551 4.891 4.340 -0.000 0.000 0.249 175 L C 1.240 178.083 176.870 -0.047 0.000 1.172 175 L CA -0.569 54.237 54.840 -0.056 0.000 0.980 175 L CB -0.140 41.875 42.059 -0.073 0.000 1.299 175 L HN 0.277 nan 8.230 nan 0.000 0.535 176 A N 0.370 123.169 122.820 -0.035 0.000 2.332 176 A HA 0.250 4.570 4.320 -0.000 0.000 0.258 176 A C 0.065 177.632 177.584 -0.027 0.000 1.087 176 A CA -0.191 51.830 52.037 -0.026 0.000 0.802 176 A CB 0.379 19.369 19.000 -0.017 0.000 1.042 176 A HN 0.258 nan 8.150 nan 0.000 0.489 177 E N 0.152 120.338 120.200 -0.022 0.000 2.105 177 E HA 0.461 4.811 4.350 -0.000 0.000 0.285 177 E C 0.623 177.213 176.600 -0.018 0.000 1.055 177 E CA 1.008 57.395 56.400 -0.021 0.000 0.843 177 E CB 0.302 29.991 29.700 -0.018 0.000 1.067 177 E HN 1.335 nan 8.360 nan 0.000 0.398 178 G N 2.733 111.521 108.800 -0.021 0.000 2.526 178 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.250 178 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.250 178 G C -0.446 174.439 174.900 -0.026 0.000 1.289 178 G CA -0.571 44.517 45.100 -0.020 0.000 0.947 178 G HN 0.493 nan 8.290 nan 0.000 0.517 179 T N 0.955 115.492 114.554 -0.029 0.000 2.875 179 T HA 0.697 5.047 4.350 -0.000 0.000 0.284 179 T C 0.060 174.733 174.700 -0.045 0.000 0.995 179 T CA 0.356 62.431 62.100 -0.041 0.000 1.060 179 T CB 1.531 70.368 68.868 -0.050 0.000 0.967 179 T HN 0.747 nan 8.240 nan 0.000 0.476 180 T N 3.113 117.635 114.554 -0.053 0.000 2.841 180 T HA 0.647 4.997 4.350 -0.000 0.000 0.283 180 T C -0.498 174.148 174.700 -0.090 0.000 1.000 180 T CA -0.500 61.570 62.100 -0.050 0.000 0.977 180 T CB 0.649 69.502 68.868 -0.025 0.000 0.979 180 T HN 0.403 nan 8.240 nan 0.000 0.446 181 I N 3.501 123.994 120.570 -0.128 0.000 2.466 181 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 181 I C -0.720 175.360 176.117 -0.062 0.000 1.026 181 I CA -0.808 60.382 61.300 -0.185 0.000 1.078 181 I CB 1.918 39.614 38.000 -0.506 0.000 1.249 181 I HN 0.472 nan 8.210 nan 0.000 0.429 182 I N 5.924 126.480 120.570 -0.023 0.000 2.330 182 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 182 I C 0.058 176.199 176.117 0.040 0.000 1.025 182 I CA -0.587 60.728 61.300 0.026 0.000 1.197 182 I CB 0.798 38.807 38.000 0.015 0.000 1.358 182 I HN 0.453 nan 8.210 nan 0.000 0.467 183 E N 5.583 125.833 120.200 0.083 0.000 2.313 183 E HA 0.103 4.453 4.350 -0.000 0.000 0.272 183 E C 0.273 176.902 176.600 0.047 0.000 1.038 183 E CA -0.363 56.084 56.400 0.078 0.000 0.863 183 E CB 1.105 30.874 29.700 0.116 0.000 1.060 183 E HN 0.630 nan 8.360 nan 0.000 0.402 184 N N 0.191 118.911 118.700 0.034 0.000 2.740 184 N HA -0.241 4.499 4.740 -0.000 0.000 0.248 184 N C -0.663 174.861 175.510 0.023 0.000 1.062 184 N CA 0.130 53.194 53.050 0.023 0.000 0.704 184 N CB -0.393 38.105 38.487 0.019 0.000 0.968 184 N HN 0.546 nan 8.380 nan 0.000 0.547 185 A N 0.387 123.221 122.820 0.023 0.000 2.406 185 A HA 0.614 4.934 4.320 -0.000 0.000 0.243 185 A C 0.874 178.474 177.584 0.025 0.000 1.082 185 A CA 0.375 52.425 52.037 0.022 0.000 0.786 185 A CB 0.550 19.561 19.000 0.018 0.000 1.029 185 A HN 0.619 nan 8.150 nan 0.000 0.495 186 A N 0.731 123.568 122.820 0.029 0.000 2.462 186 A HA 0.409 4.729 4.320 -0.000 0.000 0.243 186 A C 1.002 178.613 177.584 0.045 0.000 1.076 186 A CA -0.078 51.981 52.037 0.038 0.000 0.773 186 A CB 0.026 19.053 19.000 0.044 0.000 1.010 186 A HN 0.849 nan 8.150 nan 0.000 0.493 187 R N 0.496 121.037 120.500 0.068 0.000 2.365 187 R HA 0.077 4.417 4.340 -0.000 0.000 0.223 187 R C -0.455 175.934 176.300 0.148 0.000 0.899 187 R CA -0.189 55.971 56.100 0.101 0.000 1.059 187 R CB 0.171 30.536 30.300 0.108 0.000 1.086 187 R HN 0.802 nan 8.270 nan 0.000 0.522 188 E N 1.514 121.762 120.200 0.079 0.000 2.604 188 E HA -0.100 4.250 4.350 -0.000 0.000 0.267 188 E C -1.773 174.748 176.600 -0.132 0.000 0.970 188 E CA -0.617 55.728 56.400 -0.091 0.000 0.956 188 E CB 0.319 29.976 29.700 -0.072 0.000 0.939 188 E HN -0.086 nan 8.360 nan 0.000 0.465 189 P HA -0.172 nan 4.420 nan 0.000 0.218 189 P C 0.371 177.626 177.300 -0.074 0.000 1.146 189 P CA 1.163 64.173 63.100 -0.151 0.000 0.813 189 P CB 0.279 31.856 31.700 -0.205 0.000 0.778 190 E N -0.993 119.159 120.200 -0.080 0.000 2.153 190 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 190 E C 1.897 178.474 176.600 -0.037 0.000 0.988 190 E CA 0.861 57.235 56.400 -0.043 0.000 0.811 190 E CB -0.759 28.925 29.700 -0.026 0.000 0.746 190 E HN 0.221 nan 8.360 nan 0.000 0.466 191 I N 0.011 120.564 120.570 -0.028 0.000 2.353 191 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 191 I C 2.090 178.197 176.117 -0.017 0.000 1.119 191 I CA 0.749 62.035 61.300 -0.023 0.000 1.417 191 I CB -0.838 37.162 38.000 -0.001 0.000 1.078 191 I HN 0.023 nan 8.210 nan 0.000 0.421 192 V N 1.150 121.062 119.914 -0.002 0.000 2.261 192 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 192 V C 2.318 178.429 176.094 0.028 0.000 1.047 192 V CA 2.239 64.548 62.300 0.015 0.000 1.015 192 V CB -0.635 31.204 31.823 0.028 0.000 0.642 192 V HN 0.303 nan 8.190 nan 0.000 0.446 193 D N -0.347 120.081 120.400 0.046 0.000 2.123 193 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 193 D C 2.237 178.549 176.300 0.019 0.000 0.992 193 D CA 1.861 55.931 54.000 0.118 0.000 0.833 193 D CB -0.122 40.751 40.800 0.123 0.000 0.954 193 D HN 0.430 nan 8.370 nan 0.000 0.455 194 T N -0.459 114.075 114.554 -0.033 0.000 2.777 194 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 194 T C 1.937 176.607 174.700 -0.050 0.000 1.040 194 T CA 1.277 63.339 62.100 -0.063 0.000 1.141 194 T CB -0.405 68.396 68.868 -0.113 0.000 0.868 194 T HN 0.211 nan 8.240 nan 0.000 0.444 195 A N 2.615 125.403 122.820 -0.054 0.000 1.877 195 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 195 A C 2.225 179.748 177.584 -0.102 0.000 1.186 195 A CA 1.563 53.563 52.037 -0.062 0.000 0.620 195 A CB -0.671 18.306 19.000 -0.038 0.000 0.822 195 A HN 0.377 nan 8.150 nan 0.000 0.443 196 N N -1.035 117.606 118.700 -0.099 0.000 2.223 196 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 196 N C 1.326 176.590 175.510 -0.411 0.000 1.016 196 N CA 1.415 54.387 53.050 -0.130 0.000 0.863 196 N CB -0.585 37.946 38.487 0.073 0.000 0.983 196 N HN 0.579 nan 8.380 nan 0.000 0.429 197 F N 1.508 120.964 119.950 -0.823 0.000 2.113 197 F HA 0.027 4.554 4.527 -0.000 0.000 0.297 197 F C 1.940 177.490 175.800 -0.416 0.000 1.103 197 F CA 0.878 58.303 58.000 -0.960 0.000 1.248 197 F CB -0.433 38.082 39.000 -0.807 0.000 0.999 197 F HN -0.098 nan 8.300 nan 0.000 0.475 198 L N -0.411 120.562 121.223 -0.417 0.000 2.042 198 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 198 L C 2.419 179.083 176.870 -0.344 0.000 1.076 198 L CA 1.228 55.833 54.840 -0.391 0.000 0.749 198 L CB -1.045 40.912 42.059 -0.170 0.000 0.893 198 L HN 0.033 nan 8.230 nan 0.000 0.432 199 V N 0.156 119.920 119.914 -0.251 0.000 2.343 199 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 199 V C 2.725 178.708 176.094 -0.186 0.000 1.051 199 V CA 1.836 64.032 62.300 -0.174 0.000 1.036 199 V CB -0.937 30.821 31.823 -0.109 0.000 0.654 199 V HN 0.508 nan 8.190 nan 0.000 0.451 200 A N -0.641 122.041 122.820 -0.230 0.000 2.131 200 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 200 A C 2.092 179.547 177.584 -0.215 0.000 1.158 200 A CA 1.440 53.380 52.037 -0.161 0.000 0.665 200 A CB -0.470 18.487 19.000 -0.071 0.000 0.795 200 A HN 0.560 nan 8.150 nan 0.000 0.460 201 L N -2.105 118.911 121.223 -0.345 0.000 2.509 201 L HA 0.218 4.558 4.340 -0.000 0.000 0.222 201 L C 1.586 178.347 176.870 -0.182 0.000 1.123 201 L CA 0.654 55.316 54.840 -0.296 0.000 0.856 201 L CB 0.032 41.840 42.059 -0.418 0.000 0.985 201 L HN 0.569 nan 8.230 nan 0.000 0.456 202 G N -0.271 108.432 108.800 -0.162 0.000 2.164 202 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.154 202 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.154 202 G C 0.202 175.040 174.900 -0.104 0.000 1.014 202 G CA -0.184 44.850 45.100 -0.110 0.000 0.683 202 G HN 0.377 nan 8.290 nan 0.000 0.500 203 A N -0.059 122.686 122.820 -0.125 0.000 2.271 203 A HA 0.781 5.101 4.320 -0.000 0.000 0.288 203 A C 0.352 177.886 177.584 -0.083 0.000 1.094 203 A CA -0.118 51.857 52.037 -0.103 0.000 0.828 203 A CB 0.594 19.524 19.000 -0.118 0.000 1.091 203 A HN 0.306 nan 8.150 nan 0.000 0.493 204 K N 1.139 121.499 120.400 -0.067 0.000 2.414 204 K HA 0.555 4.875 4.320 -0.000 0.000 0.251 204 K C -1.399 175.170 176.600 -0.052 0.000 1.037 204 K CA 0.374 56.628 56.287 -0.055 0.000 0.980 204 K CB 0.778 33.250 32.500 -0.047 0.000 1.280 204 K HN 0.572 nan 8.250 nan 0.000 0.451 205 I N 1.356 121.895 120.570 -0.051 0.000 2.647 205 I HA 0.351 4.521 4.170 -0.000 0.000 0.295 205 I C -0.276 175.820 176.117 -0.036 0.000 1.078 205 I CA -0.804 60.469 61.300 -0.045 0.000 1.048 205 I CB 2.282 40.252 38.000 -0.050 0.000 1.239 205 I HN 0.496 nan 8.210 nan 0.000 0.421 206 S N 2.111 117.792 115.700 -0.031 0.000 2.588 206 S HA 0.830 5.300 4.470 -0.000 0.000 0.275 206 S C 0.230 174.817 174.600 -0.021 0.000 1.130 206 S CA -0.001 58.185 58.200 -0.024 0.000 0.855 206 S CB 2.050 65.236 63.200 -0.024 0.000 1.116 206 S HN 1.328 nan 8.310 nan 0.000 0.472 207 G N 0.740 109.532 108.800 -0.013 0.000 2.217 207 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 207 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 207 G C 0.146 175.045 174.900 -0.001 0.000 0.990 207 G CA 0.106 45.202 45.100 -0.008 0.000 0.627 207 G HN 1.322 nan 8.290 nan 0.000 0.522 208 Q N 0.590 120.389 119.800 -0.002 0.000 2.269 208 Q HA 0.370 4.710 4.340 -0.000 0.000 0.300 208 Q C 1.137 177.147 176.000 0.018 0.000 1.070 208 Q CA 1.239 57.044 55.803 0.005 0.000 0.957 208 Q CB 0.695 29.433 28.738 -0.001 0.000 1.131 208 Q HN 1.910 nan 8.270 nan 0.000 0.377 209 G N 2.414 111.232 108.800 0.029 0.000 2.218 209 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 209 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 209 G C 0.238 175.161 174.900 0.039 0.000 0.994 209 G CA 0.208 45.337 45.100 0.048 0.000 0.637 209 G HN 1.115 nan 8.290 nan 0.000 0.505 210 T N -1.512 113.056 114.554 0.023 0.000 2.919 210 T HA 0.551 4.901 4.350 -0.000 0.000 0.282 210 T C 0.970 175.680 174.700 0.016 0.000 1.020 210 T CA 0.662 62.770 62.100 0.014 0.000 0.994 210 T CB 1.645 70.517 68.868 0.007 0.000 1.180 210 T HN 0.240 nan 8.240 nan 0.000 0.566 211 D N -1.128 119.279 120.400 0.012 0.000 2.378 211 D HA -0.010 4.630 4.640 -0.000 0.000 0.227 211 D C 0.698 177.008 176.300 0.016 0.000 1.012 211 D CA 0.248 54.257 54.000 0.015 0.000 0.905 211 D CB 0.049 40.856 40.800 0.012 0.000 0.895 211 D HN 0.558 nan 8.370 nan 0.000 0.532 212 R N 0.396 120.903 120.500 0.011 0.000 2.502 212 R HA 0.529 4.869 4.340 -0.000 0.000 0.300 212 R C -1.460 174.836 176.300 -0.006 0.000 0.984 212 R CA -0.699 55.405 56.100 0.006 0.000 0.882 212 R CB 0.922 31.226 30.300 0.006 0.000 1.180 212 R HN 0.033 nan 8.270 nan 0.000 0.444 213 I N 3.198 123.761 120.570 -0.012 0.000 2.404 213 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 213 I C -0.355 175.739 176.117 -0.038 0.000 0.992 213 I CA -0.681 60.607 61.300 -0.020 0.000 1.149 213 I CB 2.422 40.413 38.000 -0.014 0.000 1.315 213 I HN 0.525 nan 8.210 nan 0.000 0.446 214 T N 6.888 121.415 114.554 -0.044 0.000 2.792 214 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 214 T C -0.374 174.295 174.700 -0.051 0.000 0.990 214 T CA -0.338 61.726 62.100 -0.060 0.000 0.960 214 T CB 1.193 70.022 68.868 -0.066 0.000 0.939 214 T HN 0.166 nan 8.240 nan 0.000 0.439 215 I N 2.370 122.909 120.570 -0.053 0.000 2.474 215 I HA 0.439 4.609 4.170 -0.000 0.000 0.294 215 I C 0.108 176.197 176.117 -0.047 0.000 1.005 215 I CA -0.702 60.570 61.300 -0.047 0.000 1.113 215 I CB 2.072 40.047 38.000 -0.041 0.000 1.289 215 I HN 0.545 nan 8.210 nan 0.000 0.436 216 E N 3.676 123.850 120.200 -0.045 0.000 2.141 216 E HA 0.553 4.903 4.350 -0.000 0.000 0.259 216 E C 0.079 176.654 176.600 -0.042 0.000 0.883 216 E CA -0.585 55.790 56.400 -0.041 0.000 0.744 216 E CB 1.071 30.747 29.700 -0.039 0.000 1.150 216 E HN 0.816 nan 8.360 nan 0.000 0.420 217 G N 2.278 111.055 108.800 -0.038 0.000 2.568 217 G HA2 0.278 4.238 3.960 -0.000 0.000 0.231 217 G HA3 0.278 4.238 3.960 -0.000 0.000 0.231 217 G C -0.061 174.814 174.900 -0.042 0.000 1.261 217 G CA 0.307 45.383 45.100 -0.040 0.000 0.855 217 G HN 0.554 nan 8.290 nan 0.000 0.576 218 V N -0.896 118.989 119.914 -0.048 0.000 3.078 218 V HA 0.533 4.653 4.120 -0.000 0.000 0.311 218 V C 0.806 176.869 176.094 -0.052 0.000 1.138 218 V CA -0.821 61.450 62.300 -0.049 0.000 1.007 218 V CB 1.965 33.755 31.823 -0.055 0.000 1.045 218 V HN 0.801 nan 8.190 nan 0.000 0.432 219 E N 1.554 121.725 120.200 -0.049 0.000 2.118 219 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 219 E C 0.419 176.980 176.600 -0.065 0.000 0.992 219 E CA 1.913 58.282 56.400 -0.052 0.000 0.804 219 E CB 0.056 29.730 29.700 -0.043 0.000 0.741 219 E HN 0.791 nan 8.360 nan 0.000 0.458 220 R N -1.079 119.382 120.500 -0.065 0.000 2.728 220 R HA 0.491 4.831 4.340 -0.000 0.000 0.274 220 R C -1.511 174.746 176.300 -0.070 0.000 1.032 220 R CA -0.731 55.325 56.100 -0.073 0.000 0.866 220 R CB 0.826 31.088 30.300 -0.064 0.000 1.263 220 R HN -0.150 nan 8.270 nan 0.000 0.475 221 L N 0.774 121.952 121.223 -0.075 0.000 2.334 221 L HA 0.714 5.054 4.340 -0.000 0.000 0.273 221 L C 0.558 177.389 176.870 -0.065 0.000 1.013 221 L CA -0.746 54.043 54.840 -0.084 0.000 0.816 221 L CB 2.060 44.053 42.059 -0.109 0.000 1.278 221 L HN 0.972 nan 8.230 nan 0.000 0.431 222 G N 0.426 109.184 108.800 -0.069 0.000 2.882 222 G HA2 0.649 4.609 3.960 -0.000 0.000 0.164 222 G HA3 0.649 4.609 3.960 -0.000 0.000 0.164 222 G C -0.138 174.737 174.900 -0.041 0.000 1.429 222 G CA 0.146 45.220 45.100 -0.043 0.000 1.059 222 G HN 0.736 nan 8.290 nan 0.000 0.581 223 G N -2.834 105.953 108.800 -0.021 0.000 3.209 223 G HA2 0.741 4.701 3.960 -0.000 0.000 0.236 223 G HA3 0.741 4.701 3.960 -0.000 0.000 0.236 223 G C -0.116 174.782 174.900 -0.004 0.000 1.329 223 G CA 0.066 45.167 45.100 0.002 0.000 1.015 223 G HN 1.850 nan 8.290 nan 0.000 0.571 224 G N -2.712 106.113 108.800 0.043 0.000 2.356 224 G HA2 0.483 4.443 3.960 -0.000 0.000 0.266 224 G HA3 0.483 4.443 3.960 -0.000 0.000 0.266 224 G C -1.987 172.975 174.900 0.103 0.000 1.312 224 G CA 0.199 45.332 45.100 0.054 0.000 0.922 224 G HN 1.400 nan 8.290 nan 0.000 0.480 225 V N 0.280 120.264 119.914 0.117 0.000 2.760 225 V HA 0.765 4.885 4.120 -0.000 0.000 0.309 225 V C -1.409 174.813 176.094 0.213 0.000 1.077 225 V CA -0.567 61.810 62.300 0.129 0.000 0.910 225 V CB 1.790 33.656 31.823 0.072 0.000 1.008 225 V HN 1.114 nan 8.190 nan 0.000 0.424 226 Y N 3.677 124.022 120.300 0.076 0.000 2.513 226 Y HA 0.629 5.179 4.550 -0.000 0.000 0.340 226 Y C -0.483 175.421 175.900 0.007 0.000 1.055 226 Y CA -0.888 57.270 58.100 0.097 0.000 1.020 226 Y CB 1.785 40.434 38.460 0.314 0.000 1.301 226 Y HN 0.638 nan 8.280 nan 0.000 0.453 227 R N 5.079 125.166 120.500 -0.688 0.000 2.295 227 R HA 0.635 4.975 4.340 -0.000 0.000 0.324 227 R C -1.404 174.588 176.300 -0.515 0.000 0.968 227 R CA -0.584 55.241 56.100 -0.459 0.000 0.837 227 R CB 0.962 31.061 30.300 -0.335 0.000 1.133 227 R HN 0.624 nan 8.270 nan 0.000 0.450 228 V N 6.166 125.950 119.914 -0.217 0.000 2.872 228 V HA -0.015 4.105 4.120 -0.000 0.000 0.307 228 V C 0.951 176.981 176.094 -0.107 0.000 1.072 228 V CA -0.054 62.193 62.300 -0.090 0.000 1.148 228 V CB 0.589 32.369 31.823 -0.071 0.000 0.954 228 V HN 0.687 nan 8.190 nan 0.000 0.490 229 L N 4.406 125.600 121.223 -0.049 0.000 2.466 229 L HA 0.584 4.924 4.340 -0.000 0.000 0.257 229 L C -2.430 174.415 176.870 -0.043 0.000 1.189 229 L CA -1.770 53.040 54.840 -0.050 0.000 0.813 229 L CB 0.262 42.309 42.059 -0.020 0.000 1.118 229 L HN 0.350 nan 8.230 nan 0.000 0.471 230 P HA -0.012 nan 4.420 nan 0.000 0.269 230 P C -1.165 176.122 177.300 -0.021 0.000 1.215 230 P CA 0.027 63.114 63.100 -0.021 0.000 0.780 230 P CB 0.343 32.038 31.700 -0.008 0.000 0.898 231 D N 2.456 122.847 120.400 -0.015 0.000 2.374 231 D HA -0.002 4.638 4.640 -0.000 0.000 0.240 231 D C 1.326 177.617 176.300 -0.016 0.000 1.229 231 D CA -0.128 53.853 54.000 -0.031 0.000 0.895 231 D CB 0.443 41.215 40.800 -0.048 0.000 1.046 231 D HN 0.325 nan 8.370 nan 0.000 0.498 232 R N 3.833 124.314 120.500 -0.031 0.000 2.120 232 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 232 R C 1.378 177.670 176.300 -0.013 0.000 1.123 232 R CA 0.681 56.769 56.100 -0.021 0.000 0.975 232 R CB -0.150 30.120 30.300 -0.049 0.000 0.866 232 R HN 0.347 nan 8.270 nan 0.000 0.446 233 I N 1.667 122.212 120.570 -0.042 0.000 2.406 233 I HA -0.127 4.043 4.170 -0.000 0.000 0.249 233 I C 2.544 178.658 176.117 -0.005 0.000 1.122 233 I CA 1.216 62.494 61.300 -0.036 0.000 1.431 233 I CB -1.161 36.795 38.000 -0.073 0.000 1.087 233 I HN 0.375 nan 8.210 nan 0.000 0.424 234 E N 1.041 121.220 120.200 -0.034 0.000 2.110 234 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 234 E C 2.006 178.730 176.600 0.207 0.000 0.988 234 E CA 1.975 58.426 56.400 0.086 0.000 0.804 234 E CB 0.171 29.939 29.700 0.114 0.000 0.745 234 E HN 0.386 nan 8.360 nan 0.000 0.458 235 T N -0.163 114.492 114.554 0.169 0.000 2.652 235 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 235 T C 1.757 176.556 174.700 0.165 0.000 1.039 235 T CA 1.362 63.579 62.100 0.196 0.000 1.153 235 T CB -0.755 68.180 68.868 0.113 0.000 0.863 235 T HN 0.427 nan 8.240 nan 0.000 0.428 236 G N 0.882 109.746 108.800 0.106 0.000 2.442 236 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 236 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 236 G C 1.718 176.660 174.900 0.069 0.000 1.141 236 G CA 1.502 46.667 45.100 0.110 0.000 0.763 236 G HN 0.455 nan 8.290 nan 0.000 0.554 237 T N 0.754 115.319 114.554 0.018 0.000 2.746 237 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 237 T C 2.040 176.599 174.700 -0.236 0.000 1.039 237 T CA 1.078 63.105 62.100 -0.121 0.000 1.142 237 T CB -0.319 68.461 68.868 -0.148 0.000 0.866 237 T HN 0.303 nan 8.240 nan 0.000 0.444 238 F N 0.701 120.688 119.950 0.062 0.000 2.206 238 F HA 0.133 4.660 4.527 -0.000 0.000 0.298 238 F C 2.122 177.929 175.800 0.012 0.000 1.090 238 F CA 0.502 58.519 58.000 0.029 0.000 1.323 238 F CB -0.390 38.635 39.000 0.041 0.000 1.028 238 F HN 0.059 nan 8.300 nan 0.000 0.492 239 L N -0.650 120.674 121.223 0.169 0.000 2.046 239 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 239 L C 2.349 179.232 176.870 0.021 0.000 1.077 239 L CA 0.854 55.755 54.840 0.101 0.000 0.747 239 L CB -0.786 41.335 42.059 0.103 0.000 0.896 239 L HN -0.023 nan 8.230 nan 0.000 0.432 240 V N -0.022 119.867 119.914 -0.042 0.000 2.407 240 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 240 V C 2.746 178.784 176.094 -0.093 0.000 1.055 240 V CA 1.630 63.844 62.300 -0.143 0.000 1.049 240 V CB -0.832 30.856 31.823 -0.225 0.000 0.662 240 V HN 0.483 nan 8.190 nan 0.000 0.455 241 A N 0.177 122.965 122.820 -0.053 0.000 1.892 241 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 241 A C 2.427 180.009 177.584 -0.003 0.000 1.188 241 A CA 2.465 54.486 52.037 -0.027 0.000 0.631 241 A CB -0.830 18.190 19.000 0.032 0.000 0.822 241 A HN 0.582 nan 8.150 nan 0.000 0.447 242 A N -0.430 122.404 122.820 0.023 0.000 1.872 242 A HA 0.242 4.562 4.320 -0.000 0.000 0.214 242 A C 2.524 180.100 177.584 -0.013 0.000 1.187 242 A CA 1.933 53.976 52.037 0.011 0.000 0.614 242 A CB -1.109 17.905 19.000 0.023 0.000 0.826 242 A HN 1.168 nan 8.150 nan 0.000 0.442 243 A N 0.657 123.463 122.820 -0.025 0.000 1.986 243 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 243 A C 2.050 179.608 177.584 -0.043 0.000 1.171 243 A CA 1.710 53.725 52.037 -0.038 0.000 0.640 243 A CB -0.844 18.116 19.000 -0.067 0.000 0.811 243 A HN 1.030 nan 8.150 nan 0.000 0.451 244 I N -2.921 117.616 120.570 -0.054 0.000 3.603 244 I HA 0.079 4.249 4.170 -0.000 0.000 0.297 244 I C 1.415 177.515 176.117 -0.028 0.000 1.269 244 I CA 1.211 62.483 61.300 -0.047 0.000 1.361 244 I CB 0.092 38.055 38.000 -0.062 0.000 1.063 244 I HN 0.251 nan 8.210 nan 0.000 0.448 245 S N 0.191 115.878 115.700 -0.022 0.000 2.602 245 S HA 0.442 4.912 4.470 -0.000 0.000 0.240 245 S C 1.427 176.021 174.600 -0.010 0.000 0.992 245 S CA 0.121 58.312 58.200 -0.015 0.000 0.971 245 S CB 0.125 63.316 63.200 -0.014 0.000 0.855 245 S HN 0.736 nan 8.310 nan 0.000 0.481 246 G N 0.522 109.317 108.800 -0.009 0.000 2.225 246 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.267 246 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.267 246 G C 0.490 175.381 174.900 -0.015 0.000 1.024 246 G CA 0.037 45.134 45.100 -0.005 0.000 0.784 246 G HN 1.062 nan 8.290 nan 0.000 0.507 247 G N -1.025 107.763 108.800 -0.020 0.000 2.532 247 G HA2 0.681 4.641 3.960 -0.000 0.000 0.291 247 G HA3 0.681 4.641 3.960 -0.000 0.000 0.291 247 G C -0.190 174.683 174.900 -0.046 0.000 1.349 247 G CA -0.011 45.074 45.100 -0.026 0.000 1.038 247 G HN 0.676 nan 8.290 nan 0.000 0.518 248 K N -1.115 119.260 120.400 -0.042 0.000 2.501 248 K HA 0.636 4.956 4.320 -0.000 0.000 0.252 248 K C -1.859 174.728 176.600 -0.021 0.000 0.934 248 K CA -0.719 55.536 56.287 -0.053 0.000 0.797 248 K CB 2.286 34.738 32.500 -0.079 0.000 1.270 248 K HN 0.495 nan 8.250 nan 0.000 0.431 249 I N 2.496 123.066 120.570 -0.001 0.000 2.984 249 I HA 0.438 4.608 4.170 -0.000 0.000 0.303 249 I C -1.872 174.269 176.117 0.040 0.000 1.381 249 I CA -0.916 60.392 61.300 0.014 0.000 0.988 249 I CB 2.369 40.390 38.000 0.034 0.000 1.307 249 I HN 0.403 nan 8.210 nan 0.000 0.460 250 V N 4.604 124.536 119.914 0.031 0.000 2.531 250 V HA 0.395 4.515 4.120 -0.000 0.000 0.301 250 V C -0.750 175.381 176.094 0.062 0.000 1.034 250 V CA -0.582 61.762 62.300 0.074 0.000 0.865 250 V CB 1.462 33.295 31.823 0.017 0.000 0.995 250 V HN 0.781 nan 8.190 nan 0.000 0.424 251 C N 5.901 125.273 119.300 0.121 0.000 2.255 251 C HA 0.608 5.068 4.460 -0.000 0.000 0.326 251 C C 0.563 175.626 174.990 0.123 0.000 1.258 251 C CA -1.083 57.986 59.018 0.085 0.000 1.676 251 C CB -0.048 27.757 27.740 0.108 0.000 2.314 251 C HN 0.749 nan 8.230 nan 0.000 0.509 252 R N 2.403 122.942 120.500 0.065 0.000 2.528 252 R HA 0.258 4.598 4.340 -0.000 0.000 0.271 252 R C 0.309 176.648 176.300 0.065 0.000 1.056 252 R CA -0.319 55.830 56.100 0.082 0.000 1.117 252 R CB 0.214 30.528 30.300 0.023 0.000 1.085 252 R HN 0.771 nan 8.270 nan 0.000 0.530 253 N N -1.310 117.434 118.700 0.074 0.000 2.740 253 N HA -0.197 4.543 4.740 -0.000 0.000 0.248 253 N C -0.952 174.580 175.510 0.037 0.000 1.062 253 N CA 1.176 54.251 53.050 0.042 0.000 0.704 253 N CB -0.979 37.517 38.487 0.014 0.000 0.968 253 N HN 0.738 nan 8.380 nan 0.000 0.547 254 A N -0.206 122.646 122.820 0.055 0.000 2.352 254 A HA 0.789 5.109 4.320 -0.000 0.000 0.299 254 A C 0.096 177.681 177.584 0.001 0.000 1.160 254 A CA -0.363 51.694 52.037 0.033 0.000 0.933 254 A CB 1.237 20.266 19.000 0.049 0.000 1.387 254 A HN 0.211 nan 8.150 nan 0.000 0.487 255 Q N -0.366 119.425 119.800 -0.015 0.000 3.147 255 Q HA 0.306 4.646 4.340 -0.000 0.000 0.224 255 Q C -2.445 173.533 176.000 -0.037 0.000 0.901 255 Q CA -1.560 54.224 55.803 -0.032 0.000 0.729 255 Q CB 1.456 30.180 28.738 -0.024 0.000 1.363 255 Q HN 0.387 nan 8.270 nan 0.000 0.467 256 P HA -0.225 nan 4.420 nan 0.000 0.216 256 P C 0.666 177.946 177.300 -0.034 0.000 1.154 256 P CA 1.822 64.882 63.100 -0.068 0.000 0.865 256 P CB 0.201 31.820 31.700 -0.135 0.000 0.789 257 D N -1.238 119.144 120.400 -0.030 0.000 2.351 257 D HA -0.132 4.508 4.640 -0.000 0.000 0.216 257 D C 1.254 177.575 176.300 0.035 0.000 0.968 257 D CA 1.622 55.621 54.000 -0.003 0.000 0.899 257 D CB -1.593 39.205 40.800 -0.004 0.000 0.907 257 D HN 0.244 nan 8.370 nan 0.000 0.514 258 T N -2.478 112.092 114.554 0.028 0.000 3.129 258 T HA 0.149 4.499 4.350 -0.000 0.000 0.251 258 T C 1.370 176.114 174.700 0.074 0.000 1.117 258 T CA -0.090 62.040 62.100 0.050 0.000 1.034 258 T CB -0.270 68.585 68.868 -0.022 0.000 0.968 258 T HN 0.214 nan 8.240 nan 0.000 0.526 259 L N 0.674 121.922 121.223 0.043 0.000 3.289 259 L HA 0.342 4.682 4.340 -0.000 0.000 0.291 259 L C 0.896 177.780 176.870 0.023 0.000 1.279 259 L CA -0.349 54.508 54.840 0.027 0.000 1.025 259 L CB 0.389 42.459 42.059 0.019 0.000 1.413 259 L HN -0.004 nan 8.230 nan 0.000 0.593 260 D N 1.803 122.218 120.400 0.024 0.000 2.137 260 D HA -0.264 4.376 4.640 -0.000 0.000 0.189 260 D C 2.131 178.443 176.300 0.021 0.000 0.998 260 D CA 2.018 56.025 54.000 0.011 0.000 0.839 260 D CB 0.177 40.974 40.800 -0.005 0.000 0.962 260 D HN 0.399 nan 8.370 nan 0.000 0.446 261 A N 0.576 123.403 122.820 0.012 0.000 1.933 261 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 261 A C 2.602 180.241 177.584 0.092 0.000 1.175 261 A CA 1.288 53.355 52.037 0.050 0.000 0.628 261 A CB -0.699 18.337 19.000 0.059 0.000 0.814 261 A HN 0.169 nan 8.150 nan 0.000 0.444 262 V N 0.137 120.061 119.914 0.016 0.000 2.358 262 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 262 V C 2.563 178.773 176.094 0.194 0.000 1.047 262 V CA 1.860 64.200 62.300 0.067 0.000 1.035 262 V CB -0.628 31.190 31.823 -0.008 0.000 0.658 262 V HN 0.577 nan 8.190 nan 0.000 0.452 263 L N 0.012 121.309 121.223 0.122 0.000 2.017 263 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 263 L C 2.791 179.733 176.870 0.120 0.000 1.073 263 L CA 1.684 56.594 54.840 0.118 0.000 0.745 263 L CB -0.995 41.100 42.059 0.061 0.000 0.894 263 L HN 0.363 nan 8.230 nan 0.000 0.432 264 A N 0.163 123.039 122.820 0.093 0.000 1.948 264 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 264 A C 2.309 179.956 177.584 0.105 0.000 1.177 264 A CA 2.186 54.271 52.037 0.080 0.000 0.636 264 A CB -0.415 18.618 19.000 0.055 0.000 0.815 264 A HN 0.223 nan 8.150 nan 0.000 0.449 265 K N -0.257 120.229 120.400 0.144 0.000 2.103 265 K HA 0.131 4.451 4.320 -0.000 0.000 0.204 265 K C 1.718 178.489 176.600 0.286 0.000 1.052 265 K CA 0.953 57.342 56.287 0.170 0.000 0.945 265 K CB -0.464 32.092 32.500 0.093 0.000 0.722 265 K HN 0.472 nan 8.250 nan 0.000 0.443 266 L N 0.187 121.609 121.223 0.332 0.000 2.141 266 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 266 L C 2.354 179.319 176.870 0.158 0.000 1.094 266 L CA 1.149 56.150 54.840 0.269 0.000 0.763 266 L CB -0.232 41.965 42.059 0.229 0.000 0.908 266 L HN 0.157 nan 8.230 nan 0.000 0.437 267 R N -0.086 120.493 120.500 0.132 0.000 2.092 267 R HA -0.157 4.183 4.340 -0.000 0.000 0.231 267 R C 2.027 178.380 176.300 0.088 0.000 1.119 267 R CA 1.181 57.339 56.100 0.096 0.000 0.970 267 R CB -0.237 30.110 30.300 0.078 0.000 0.864 267 R HN 0.434 nan 8.270 nan 0.000 0.440 268 E N 0.360 120.616 120.200 0.093 0.000 2.265 268 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 268 E C 1.511 178.159 176.600 0.080 0.000 0.996 268 E CA 0.911 57.356 56.400 0.075 0.000 0.832 268 E CB 0.074 29.814 29.700 0.066 0.000 0.756 268 E HN 0.323 nan 8.360 nan 0.000 0.491 269 A N -0.233 122.650 122.820 0.104 0.000 2.238 269 A HA 0.262 4.582 4.320 -0.000 0.000 0.208 269 A C 1.599 179.224 177.584 0.068 0.000 1.177 269 A CA 0.813 52.903 52.037 0.089 0.000 0.804 269 A CB -0.012 19.051 19.000 0.105 0.000 0.823 269 A HN 0.322 nan 8.150 nan 0.000 0.482 270 G N -2.286 106.558 108.800 0.072 0.000 2.163 270 G HA2 0.156 4.116 3.960 -0.000 0.000 0.213 270 G HA3 0.156 4.116 3.960 -0.000 0.000 0.213 270 G C 0.330 175.280 174.900 0.084 0.000 0.991 270 G CA 0.064 45.206 45.100 0.070 0.000 0.653 270 G HN 1.487 nan 8.290 nan 0.000 0.518 271 A N 0.284 123.154 122.820 0.083 0.000 2.363 271 A HA 0.557 4.877 4.320 -0.000 0.000 0.270 271 A C 0.123 177.767 177.584 0.100 0.000 1.121 271 A CA 0.406 52.492 52.037 0.082 0.000 0.800 271 A CB 0.604 19.646 19.000 0.070 0.000 1.052 271 A HN 0.403 nan 8.150 nan 0.000 0.493 272 D N 2.583 123.054 120.400 0.118 0.000 2.411 272 D HA 0.408 5.048 4.640 -0.000 0.000 0.225 272 D C -0.544 175.820 176.300 0.107 0.000 1.156 272 D CA 0.136 54.224 54.000 0.147 0.000 0.874 272 D CB -0.096 40.878 40.800 0.289 0.000 1.034 272 D HN 0.358 nan 8.370 nan 0.000 0.502 273 I N 3.113 123.740 120.570 0.095 0.000 2.441 273 I HA 0.319 4.489 4.170 -0.000 0.000 0.295 273 I C 0.415 176.579 176.117 0.077 0.000 0.994 273 I CA -0.769 60.581 61.300 0.084 0.000 1.144 273 I CB 1.662 39.701 38.000 0.066 0.000 1.314 273 I HN 0.147 nan 8.210 nan 0.000 0.445 274 E N 3.802 124.059 120.200 0.095 0.000 2.312 274 E HA 0.624 4.974 4.350 -0.000 0.000 0.267 274 E C -0.946 175.566 176.600 -0.148 0.000 0.894 274 E CA -0.580 55.862 56.400 0.071 0.000 0.773 274 E CB 2.781 32.633 29.700 0.252 0.000 1.241 274 E HN 0.700 nan 8.360 nan 0.000 0.432 275 T N -1.931 112.374 114.554 -0.414 0.000 2.883 275 T HA 0.808 5.158 4.350 -0.000 0.000 0.301 275 T C 0.042 174.066 174.700 -1.127 0.000 1.158 275 T CA -0.685 60.892 62.100 -0.871 0.000 1.007 275 T CB 2.081 70.684 68.868 -0.441 0.000 1.186 275 T HN 0.486 nan 8.240 nan 0.000 0.499 276 G N -0.128 107.720 108.800 -1.586 0.000 3.086 276 G HA2 0.551 4.511 3.960 -0.000 0.000 0.282 276 G HA3 0.551 4.511 3.960 -0.000 0.000 0.282 276 G C 0.531 175.113 174.900 -0.531 0.000 1.343 276 G CA -0.226 44.314 45.100 -0.933 0.000 0.895 276 G HN 0.889 nan 8.290 nan 0.000 0.557 277 E N -0.491 119.591 120.200 -0.197 0.000 2.049 277 E HA -0.175 4.175 4.350 -0.000 0.000 0.198 277 E C 0.433 176.975 176.600 -0.097 0.000 1.007 277 E CA 1.851 58.197 56.400 -0.090 0.000 0.809 277 E CB -0.178 29.530 29.700 0.014 0.000 0.749 277 E HN 0.405 nan 8.360 nan 0.000 0.450 278 D N -0.620 119.763 120.400 -0.030 0.000 2.740 278 D HA 0.108 4.748 4.640 -0.000 0.000 0.301 278 D C -0.336 176.046 176.300 0.136 0.000 1.408 278 D CA -0.705 53.317 54.000 0.036 0.000 0.808 278 D CB -0.531 40.320 40.800 0.086 0.000 1.128 278 D HN 0.495 nan 8.370 nan 0.000 0.465 279 W N -0.196 121.106 121.300 0.002 0.000 3.137 279 W HA 0.669 5.329 4.660 -0.000 0.000 0.324 279 W C -2.146 174.380 176.519 0.012 0.000 1.253 279 W CA -1.332 56.014 57.345 0.003 0.000 1.183 279 W CB 0.418 29.876 29.460 -0.003 0.000 1.424 279 W HN -0.275 nan 8.180 nan 0.000 0.566 280 I N 2.922 123.649 120.570 0.261 0.000 2.607 280 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 280 I C -0.177 176.136 176.117 0.326 0.000 1.129 280 I CA -0.681 60.693 61.300 0.122 0.000 1.042 280 I CB 2.570 40.596 38.000 0.043 0.000 1.242 280 I HN 0.461 nan 8.210 nan 0.000 0.421 281 S N 6.743 122.651 115.700 0.347 0.000 2.532 281 S HA 0.883 5.353 4.470 -0.000 0.000 0.301 281 S C -0.999 173.694 174.600 0.154 0.000 1.083 281 S CA -0.744 57.621 58.200 0.274 0.000 1.025 281 S CB 2.428 65.829 63.200 0.336 0.000 1.056 281 S HN 0.652 nan 8.310 nan 0.000 0.494 282 L N 1.679 122.958 121.223 0.094 0.000 2.431 282 L HA 0.727 5.067 4.340 -0.000 0.000 0.266 282 L C -2.103 174.762 176.870 -0.010 0.000 0.978 282 L CA -0.321 54.550 54.840 0.053 0.000 0.822 282 L CB 2.097 44.190 42.059 0.056 0.000 1.310 282 L HN 0.829 nan 8.230 nan 0.000 0.409 283 D N 4.393 124.756 120.400 -0.063 0.000 2.863 283 D HA 0.331 4.971 4.640 -0.000 0.000 0.245 283 D C 0.162 176.325 176.300 -0.229 0.000 1.211 283 D CA -0.426 53.435 54.000 -0.233 0.000 0.888 283 D CB 1.890 42.414 40.800 -0.460 0.000 1.483 283 D HN 0.467 nan 8.370 nan 0.000 0.533 284 M N 1.492 120.992 119.600 -0.166 0.000 2.509 284 M HA 0.051 4.531 4.480 -0.000 0.000 0.250 284 M C 0.220 176.536 176.300 0.027 0.000 1.132 284 M CA 0.254 55.532 55.300 -0.037 0.000 1.080 284 M CB -0.723 31.869 32.600 -0.012 0.000 1.408 284 M HN 0.501 nan 8.290 nan 0.000 0.484 285 H N 0.176 119.259 119.070 0.021 0.000 2.713 285 H HA -0.164 4.392 4.556 -0.000 0.000 0.311 285 H C 1.335 176.672 175.328 0.014 0.000 1.175 285 H CA 0.899 56.958 56.048 0.018 0.000 1.143 285 H CB -2.103 27.671 29.762 0.019 0.000 1.434 285 H HN 0.646 nan 8.280 nan 0.000 0.418 286 G N -0.572 108.262 108.800 0.057 0.000 2.189 286 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 286 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 286 G C 0.349 175.276 174.900 0.045 0.000 0.975 286 G CA 0.881 46.007 45.100 0.044 0.000 0.644 286 G HN 0.398 nan 8.290 nan 0.000 0.537 287 K N 0.188 120.623 120.400 0.059 0.000 2.110 287 K HA 0.456 4.776 4.320 -0.000 0.000 0.263 287 K C 0.704 177.324 176.600 0.033 0.000 0.975 287 K CA -0.953 55.363 56.287 0.049 0.000 0.895 287 K CB 1.376 33.914 32.500 0.064 0.000 1.060 287 K HN 0.360 nan 8.250 nan 0.000 0.448 288 R N 2.406 122.923 120.500 0.027 0.000 2.643 288 R HA 0.094 4.434 4.340 -0.000 0.000 0.270 288 R C -1.961 174.353 176.300 0.023 0.000 1.061 288 R CA -0.849 55.263 56.100 0.020 0.000 1.107 288 R CB 0.265 30.578 30.300 0.020 0.000 0.999 288 R HN 0.371 nan 8.270 nan 0.000 0.460 289 P HA 0.153 nan 4.420 nan 0.000 0.278 289 P C -1.358 175.958 177.300 0.027 0.000 1.258 289 P CA -0.330 62.782 63.100 0.019 0.000 0.811 289 P CB 0.853 32.553 31.700 0.001 0.000 1.063 290 K N 0.579 121.000 120.400 0.035 0.000 2.183 290 K HA 0.518 4.838 4.320 -0.000 0.000 0.274 290 K C 0.218 176.842 176.600 0.040 0.000 1.009 290 K CA -0.617 55.692 56.287 0.036 0.000 0.888 290 K CB 1.292 33.815 32.500 0.039 0.000 1.078 290 K HN 0.545 nan 8.250 nan 0.000 0.459 291 A N 2.367 125.208 122.820 0.034 0.000 2.483 291 A HA 0.331 4.651 4.320 -0.000 0.000 0.238 291 A C 0.417 178.022 177.584 0.035 0.000 1.070 291 A CA -0.282 51.775 52.037 0.032 0.000 0.770 291 A CB 0.044 19.056 19.000 0.019 0.000 1.008 291 A HN 0.551 nan 8.150 nan 0.000 0.497 292 V N -0.861 119.078 119.914 0.042 0.000 3.156 292 V HA 0.881 5.001 4.120 -0.000 0.000 0.311 292 V C -0.062 176.023 176.094 -0.015 0.000 1.208 292 V CA -0.672 61.645 62.300 0.028 0.000 1.063 292 V CB 1.558 33.422 31.823 0.067 0.000 1.098 292 V HN 0.781 nan 8.190 nan 0.000 0.452 293 T N 1.033 115.556 114.554 -0.052 0.000 2.807 293 T HA 0.747 5.097 4.350 -0.000 0.000 0.279 293 T C -0.779 173.814 174.700 -0.177 0.000 0.993 293 T CA -0.298 61.748 62.100 -0.091 0.000 0.970 293 T CB 1.413 70.241 68.868 -0.068 0.000 0.950 293 T HN 0.736 nan 8.240 nan 0.000 0.441 294 V N 3.639 123.411 119.914 -0.237 0.000 2.709 294 V HA 0.650 4.770 4.120 -0.000 0.000 0.308 294 V C -0.283 175.630 176.094 -0.302 0.000 1.062 294 V CA -1.026 61.005 62.300 -0.448 0.000 0.901 294 V CB 2.122 33.499 31.823 -0.743 0.000 1.003 294 V HN 0.791 nan 8.190 nan 0.000 0.425 295 R N 2.564 122.897 120.500 -0.279 0.000 2.473 295 R HA 0.548 4.888 4.340 -0.000 0.000 0.303 295 R C -0.205 176.092 176.300 -0.005 0.000 1.002 295 R CA -0.258 55.784 56.100 -0.097 0.000 0.884 295 R CB 1.613 31.881 30.300 -0.054 0.000 1.173 295 R HN 0.872 nan 8.270 nan 0.000 0.464 296 T N 1.352 115.956 114.554 0.083 0.000 2.907 296 T HA 0.703 5.053 4.350 -0.000 0.000 0.298 296 T C 0.126 174.882 174.700 0.093 0.000 1.017 296 T CA -0.128 62.089 62.100 0.194 0.000 1.118 296 T CB 1.588 70.582 68.868 0.211 0.000 0.948 296 T HN 0.706 nan 8.240 nan 0.000 0.531 297 A N 3.300 126.170 122.820 0.083 0.000 2.581 297 A HA 0.808 5.128 4.320 -0.000 0.000 0.290 297 A C -3.091 174.503 177.584 0.016 0.000 1.119 297 A CA -1.847 50.205 52.037 0.025 0.000 0.670 297 A CB 0.390 19.401 19.000 0.018 0.000 1.280 297 A HN 0.650 nan 8.150 nan 0.000 0.425 298 P HA 0.233 nan 4.420 nan 0.000 0.268 298 P C -0.513 176.802 177.300 0.025 0.000 1.208 298 P CA 0.360 63.466 63.100 0.011 0.000 0.777 298 P CB 0.157 31.855 31.700 -0.002 0.000 0.875 299 H N 4.037 123.094 119.070 -0.021 0.000 2.897 299 H HA 0.055 4.611 4.556 -0.000 0.000 0.347 299 H C -1.181 174.138 175.328 -0.014 0.000 1.068 299 H CA -0.968 55.067 56.048 -0.022 0.000 1.426 299 H CB 0.252 30.000 29.762 -0.023 0.000 1.410 299 H HN 0.314 nan 8.280 nan 0.000 0.597 300 P HA 0.097 nan 4.420 nan 0.000 0.256 300 P C -0.351 176.729 177.300 -0.367 0.000 1.335 300 P CA 0.213 62.724 63.100 -0.983 0.000 0.808 300 P CB -0.135 31.158 31.700 -0.678 0.000 1.305 301 A N 0.328 123.047 122.820 -0.169 0.000 2.251 301 A HA 0.302 4.622 4.320 -0.000 0.000 0.278 301 A C -0.194 177.403 177.584 0.021 0.000 1.206 301 A CA -0.608 51.406 52.037 -0.039 0.000 0.822 301 A CB -0.502 18.499 19.000 0.000 0.000 1.187 301 A HN 0.148 nan 8.150 nan 0.000 0.504 302 F N 1.537 121.447 119.950 -0.066 0.000 2.608 302 F HA 0.265 4.792 4.527 -0.000 0.000 0.380 302 F C -1.652 174.131 175.800 -0.029 0.000 1.083 302 F CA -1.172 56.782 58.000 -0.076 0.000 1.266 302 F CB 0.644 39.565 39.000 -0.132 0.000 1.076 302 F HN 0.248 nan 8.300 nan 0.000 0.574 303 P HA 0.024 nan 4.420 nan 0.000 0.286 303 P C 0.198 177.468 177.300 -0.051 0.000 1.269 303 P CA -0.208 62.777 63.100 -0.190 0.000 0.787 303 P CB 1.624 33.196 31.700 -0.214 0.000 0.920 304 T N 1.367 115.980 114.554 0.097 0.000 2.849 304 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 304 T C 0.955 175.752 174.700 0.161 0.000 1.066 304 T CA 1.676 63.891 62.100 0.192 0.000 1.130 304 T CB -0.742 68.266 68.868 0.232 0.000 0.864 304 T HN 0.260 nan 8.240 nan 0.000 0.481 305 D N 0.329 120.782 120.400 0.088 0.000 2.378 305 D HA 0.034 4.674 4.640 -0.000 0.000 0.222 305 D C 1.345 177.675 176.300 0.049 0.000 0.980 305 D CA 0.587 54.621 54.000 0.057 0.000 0.907 305 D CB 0.002 40.816 40.800 0.022 0.000 0.899 305 D HN 0.389 nan 8.370 nan 0.000 0.527 306 M N -0.338 119.290 119.600 0.045 0.000 2.313 306 M HA 0.075 4.555 4.480 -0.000 0.000 0.273 306 M C 1.576 178.111 176.300 0.393 0.000 1.049 306 M CA 0.122 55.508 55.300 0.144 0.000 1.004 306 M CB 0.407 32.965 32.600 -0.070 0.000 1.461 306 M HN -0.009 nan 8.290 nan 0.000 0.514 307 Q N 0.882 120.891 119.800 0.348 0.000 2.084 307 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 307 Q C 1.698 177.853 176.000 0.257 0.000 0.978 307 Q CA 1.977 58.020 55.803 0.399 0.000 0.844 307 Q CB 0.150 29.098 28.738 0.349 0.000 0.898 307 Q HN 0.462 nan 8.270 nan 0.000 0.426 308 A N 0.484 123.312 122.820 0.012 0.000 1.930 308 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 308 A C 1.998 179.521 177.584 -0.101 0.000 1.175 308 A CA 1.519 53.318 52.037 -0.397 0.000 0.627 308 A CB -0.413 18.184 19.000 -0.671 0.000 0.815 308 A HN 0.446 nan 8.150 nan 0.000 0.443 309 Q N -1.092 118.725 119.800 0.028 0.000 2.084 309 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 309 Q C 1.623 177.645 176.000 0.037 0.000 0.978 309 Q CA 1.706 57.521 55.803 0.020 0.000 0.844 309 Q CB -0.461 28.295 28.738 0.030 0.000 0.898 309 Q HN 0.683 nan 8.270 nan 0.000 0.426 310 F N 0.076 120.094 119.950 0.114 0.000 2.407 310 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 310 F C 2.143 177.987 175.800 0.074 0.000 1.097 310 F CA 1.126 59.197 58.000 0.118 0.000 1.422 310 F CB -0.220 38.889 39.000 0.183 0.000 1.067 310 F HN 0.029 nan 8.300 nan 0.000 0.539 311 T N 0.465 115.167 114.554 0.246 0.000 2.737 311 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 311 T C 2.018 176.793 174.700 0.125 0.000 1.038 311 T CA 1.294 63.516 62.100 0.203 0.000 1.144 311 T CB -0.520 68.573 68.868 0.375 0.000 0.866 311 T HN 0.158 nan 8.240 nan 0.000 0.434 312 L N 1.429 122.711 121.223 0.099 0.000 2.042 312 L HA 0.038 4.378 4.340 -0.000 0.000 0.210 312 L C 2.181 179.049 176.870 -0.003 0.000 1.076 312 L CA 1.542 56.407 54.840 0.042 0.000 0.749 312 L CB -0.970 41.093 42.059 0.006 0.000 0.893 312 L HN 0.275 nan 8.230 nan 0.000 0.432 313 L N -0.366 120.830 121.223 -0.046 0.000 2.012 313 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 313 L C 2.247 179.107 176.870 -0.018 0.000 1.073 313 L CA 1.812 56.605 54.840 -0.080 0.000 0.748 313 L CB -0.568 41.363 42.059 -0.214 0.000 0.891 313 L HN 0.385 nan 8.230 nan 0.000 0.431 314 N N 0.046 118.758 118.700 0.020 0.000 2.223 314 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 314 N C 1.766 177.283 175.510 0.013 0.000 1.016 314 N CA 1.358 54.421 53.050 0.022 0.000 0.863 314 N CB -0.372 38.128 38.487 0.022 0.000 0.983 314 N HN 0.391 nan 8.380 nan 0.000 0.429 315 L N 0.294 121.525 121.223 0.014 0.000 2.465 315 L HA -0.015 4.325 4.340 -0.000 0.000 0.224 315 L C 1.246 178.126 176.870 0.016 0.000 1.145 315 L CA 0.446 55.296 54.840 0.016 0.000 0.834 315 L CB 0.011 42.078 42.059 0.014 0.000 0.944 315 L HN 0.066 nan 8.230 nan 0.000 0.451 316 V N -5.017 114.902 119.914 0.009 0.000 3.253 316 V HA 0.528 4.647 4.120 -0.000 0.000 0.320 316 V C 0.728 176.829 176.094 0.012 0.000 1.442 316 V CA -0.260 62.045 62.300 0.008 0.000 1.097 316 V CB -0.270 31.550 31.823 -0.004 0.000 1.008 316 V HN 0.091 nan 8.190 nan 0.000 0.463 317 A N 0.628 123.459 122.820 0.017 0.000 2.242 317 A HA 0.729 5.049 4.320 -0.000 0.000 0.304 317 A C 0.057 177.660 177.584 0.031 0.000 1.100 317 A CA -0.622 51.428 52.037 0.021 0.000 0.860 317 A CB 0.435 19.448 19.000 0.021 0.000 1.168 317 A HN 0.573 nan 8.150 nan 0.000 0.503 318 E N -0.043 120.176 120.200 0.031 0.000 2.167 318 E HA 0.488 4.838 4.350 -0.000 0.000 0.284 318 E C 0.343 176.965 176.600 0.037 0.000 1.016 318 E CA 0.396 56.817 56.400 0.035 0.000 0.817 318 E CB 0.998 30.716 29.700 0.030 0.000 1.080 318 E HN 1.305 nan 8.360 nan 0.000 0.397 319 G N 2.405 111.233 108.800 0.046 0.000 2.483 319 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.521 319 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.521 319 G C -0.624 174.313 174.900 0.060 0.000 1.278 319 G CA -0.892 44.238 45.100 0.049 0.000 0.965 319 G HN 0.441 nan 8.290 nan 0.000 0.504 320 T N 0.215 114.800 114.554 0.052 0.000 2.856 320 T HA 0.790 5.140 4.350 -0.000 0.000 0.283 320 T C 0.492 175.175 174.700 -0.028 0.000 1.008 320 T CA 0.381 62.493 62.100 0.019 0.000 0.997 320 T CB 1.735 70.657 68.868 0.090 0.000 0.992 320 T HN 1.769 nan 8.240 nan 0.000 0.454 321 G N 0.456 109.206 108.800 -0.082 0.000 2.642 321 G HA2 0.652 4.612 3.960 -0.000 0.000 0.293 321 G HA3 0.652 4.612 3.960 -0.000 0.000 0.293 321 G C -1.665 173.173 174.900 -0.103 0.000 1.341 321 G CA -0.586 44.475 45.100 -0.066 0.000 0.916 321 G HN 0.680 nan 8.290 nan 0.000 0.474 322 V N 1.831 121.694 119.914 -0.085 0.000 2.487 322 V HA 0.443 4.563 4.120 -0.000 0.000 0.298 322 V C -0.516 175.524 176.094 -0.089 0.000 1.028 322 V CA -0.767 61.476 62.300 -0.096 0.000 0.860 322 V CB 1.550 33.327 31.823 -0.076 0.000 0.991 322 V HN 0.567 nan 8.190 nan 0.000 0.427 323 I N 3.635 124.150 120.570 -0.091 0.000 2.354 323 I HA 0.481 4.651 4.170 -0.000 0.000 0.292 323 I C 0.127 176.246 176.117 0.003 0.000 0.989 323 I CA 0.016 61.287 61.300 -0.048 0.000 1.188 323 I CB 1.765 39.772 38.000 0.011 0.000 1.342 323 I HN 0.529 nan 8.210 nan 0.000 0.457 324 T N 5.350 119.927 114.554 0.039 0.000 2.812 324 T HA 0.287 4.636 4.350 -0.000 0.000 0.282 324 T C -0.172 174.625 174.700 0.163 0.000 0.990 324 T CA -0.593 61.572 62.100 0.107 0.000 0.960 324 T CB 1.851 70.742 68.868 0.039 0.000 0.948 324 T HN 0.342 nan 8.240 nan 0.000 0.438 325 E N 2.098 122.455 120.200 0.261 0.000 2.134 325 E HA 0.301 4.651 4.350 -0.000 0.000 0.278 325 E C 0.681 177.331 176.600 0.083 0.000 0.959 325 E CA -0.119 56.383 56.400 0.169 0.000 0.783 325 E CB 1.715 31.476 29.700 0.102 0.000 1.095 325 E HN 0.818 nan 8.360 nan 0.000 0.399 326 T N 0.013 114.588 114.554 0.035 0.000 3.040 326 T HA 0.172 4.522 4.350 -0.000 0.000 0.266 326 T C 1.215 175.870 174.700 -0.074 0.000 1.005 326 T CA -0.172 61.925 62.100 -0.005 0.000 0.906 326 T CB 0.155 69.021 68.868 -0.003 0.000 1.082 326 T HN 0.245 nan 8.240 nan 0.000 0.531 327 I N -0.239 120.257 120.570 -0.122 0.000 2.729 327 I HA 0.394 4.564 4.170 -0.000 0.000 0.256 327 I C -0.007 175.788 176.117 -0.536 0.000 1.115 327 I CA 0.298 61.383 61.300 -0.358 0.000 1.446 327 I CB -0.439 37.310 38.000 -0.418 0.000 1.176 327 I HN 0.210 nan 8.210 nan 0.000 0.446 328 F N 1.489 121.409 119.950 -0.050 0.000 2.810 328 F HA 0.326 4.853 4.527 -0.000 0.000 0.373 328 F C 0.952 176.650 175.800 -0.170 0.000 1.174 328 F CA -0.547 57.397 58.000 -0.093 0.000 1.141 328 F CB 0.784 39.722 39.000 -0.103 0.000 1.420 328 F HN -0.065 nan 8.300 nan 0.000 0.518 329 E N 0.736 120.946 120.200 0.017 0.000 2.505 329 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 329 E C 0.703 177.219 176.600 -0.139 0.000 1.111 329 E CA 0.500 56.872 56.400 -0.048 0.000 0.887 329 E CB -0.228 29.488 29.700 0.028 0.000 0.913 329 E HN 0.715 nan 8.360 nan 0.000 0.517 330 N N -0.290 118.292 118.700 -0.196 0.000 2.160 330 N HA -0.021 4.719 4.740 -0.000 0.000 0.226 330 N C 0.496 175.823 175.510 -0.305 0.000 1.256 330 N CA -0.410 52.529 53.050 -0.186 0.000 0.890 330 N CB 0.324 38.779 38.487 -0.053 0.000 1.116 330 N HN -0.147 nan 8.380 nan 0.000 0.517 331 R N 0.860 121.060 120.500 -0.499 0.000 4.556 331 R HA 0.191 4.531 4.340 -0.000 0.000 0.197 331 R C -0.924 175.184 176.300 -0.320 0.000 1.791 331 R CA -0.022 55.868 56.100 -0.350 0.000 1.526 331 R CB -0.718 29.451 30.300 -0.218 0.000 1.410 331 R HN 0.332 nan 8.270 nan 0.000 0.826 332 F N 0.632 120.633 119.950 0.084 0.000 2.814 332 F HA 0.131 4.658 4.527 -0.000 0.000 0.326 332 F C 1.272 176.972 175.800 -0.167 0.000 1.159 332 F CA -0.830 57.140 58.000 -0.050 0.000 1.234 332 F CB 0.699 39.644 39.000 -0.091 0.000 1.016 332 F HN 0.173 nan 8.300 nan 0.000 0.510 333 M N 0.267 119.949 119.600 0.136 0.000 2.195 333 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 333 M C 2.506 178.840 176.300 0.057 0.000 1.066 333 M CA 1.728 57.073 55.300 0.074 0.000 1.089 333 M CB -1.415 31.220 32.600 0.058 0.000 1.377 333 M HN 0.423 nan 8.290 nan 0.000 0.411 334 H N -0.462 118.649 119.070 0.068 0.000 2.428 334 H HA 0.052 4.608 4.556 -0.000 0.000 0.296 334 H C 2.091 177.447 175.328 0.047 0.000 1.062 334 H CA 1.197 57.274 56.048 0.049 0.000 1.350 334 H CB -1.445 28.350 29.762 0.055 0.000 1.403 334 H HN 0.233 nan 8.280 nan 0.000 0.533 335 V N 2.518 122.165 119.914 -0.444 0.000 2.231 335 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 335 V C -0.186 175.847 176.094 -0.101 0.000 1.054 335 V CA 2.467 64.613 62.300 -0.257 0.000 1.015 335 V CB -1.605 30.046 31.823 -0.288 0.000 0.638 335 V HN 0.403 nan 8.190 nan 0.000 0.444 336 P HA -0.129 nan 4.420 nan 0.000 0.216 336 P C 1.626 178.915 177.300 -0.018 0.000 1.150 336 P CA 1.258 64.339 63.100 -0.032 0.000 0.837 336 P CB -0.041 31.649 31.700 -0.017 0.000 0.786 337 E N -0.642 119.554 120.200 -0.007 0.000 2.107 337 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 337 E C 2.093 178.695 176.600 0.004 0.000 0.982 337 E CA 0.904 57.308 56.400 0.008 0.000 0.809 337 E CB -0.749 28.968 29.700 0.028 0.000 0.756 337 E HN 0.335 nan 8.360 nan 0.000 0.459 338 L N 0.500 121.727 121.223 0.006 0.000 2.156 338 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 338 L C 2.450 179.301 176.870 -0.032 0.000 1.095 338 L CA 0.519 55.359 54.840 0.001 0.000 0.770 338 L CB -0.260 41.814 42.059 0.025 0.000 0.914 338 L HN 0.067 nan 8.230 nan 0.000 0.439 339 I N -0.413 120.134 120.570 -0.039 0.000 2.394 339 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 339 I C 2.373 178.456 176.117 -0.056 0.000 1.136 339 I CA 1.091 62.356 61.300 -0.058 0.000 1.425 339 I CB -0.258 37.720 38.000 -0.036 0.000 1.079 339 I HN 0.217 nan 8.210 nan 0.000 0.425 340 R N 0.272 120.753 120.500 -0.032 0.000 2.316 340 R HA 0.028 4.368 4.340 -0.000 0.000 0.202 340 R C 1.582 177.866 176.300 -0.028 0.000 1.029 340 R CA 0.703 56.788 56.100 -0.024 0.000 1.018 340 R CB -0.026 30.268 30.300 -0.010 0.000 0.888 340 R HN 0.402 nan 8.270 nan 0.000 0.471 341 M N -1.009 118.569 119.600 -0.036 0.000 2.383 341 M HA 0.184 4.664 4.480 -0.000 0.000 0.247 341 M C 0.645 176.911 176.300 -0.058 0.000 1.117 341 M CA 0.265 55.544 55.300 -0.034 0.000 0.995 341 M CB 1.429 34.017 32.600 -0.021 0.000 1.480 341 M HN 0.362 nan 8.290 nan 0.000 0.485 342 G N 0.481 109.224 108.800 -0.094 0.000 2.184 342 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.206 342 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.206 342 G C 0.220 174.955 174.900 -0.275 0.000 0.995 342 G CA -0.097 44.910 45.100 -0.154 0.000 0.651 342 G HN 0.610 nan 8.290 nan 0.000 0.511 343 A N 0.203 122.897 122.820 -0.210 0.000 2.310 343 A HA 0.670 4.990 4.320 -0.000 0.000 0.260 343 A C 0.064 177.440 177.584 -0.348 0.000 1.112 343 A CA 0.061 51.974 52.037 -0.207 0.000 0.804 343 A CB 0.322 19.275 19.000 -0.078 0.000 1.081 343 A HN 0.557 nan 8.150 nan 0.000 0.499 344 H N -0.557 118.537 119.070 0.040 0.000 2.823 344 H HA 0.654 5.210 4.556 -0.000 0.000 0.332 344 H C -0.498 174.882 175.328 0.086 0.000 0.980 344 H CA 0.341 56.433 56.048 0.073 0.000 1.286 344 H CB 1.314 31.138 29.762 0.103 0.000 1.541 344 H HN 0.969 nan 8.280 nan 0.000 0.521 345 A N 2.989 125.907 122.820 0.164 0.000 2.594 345 A HA 0.564 4.883 4.320 -0.000 0.000 0.296 345 A C -1.145 176.449 177.584 0.016 0.000 1.061 345 A CA -0.813 51.247 52.037 0.039 0.000 0.689 345 A CB 1.805 20.773 19.000 -0.054 0.000 1.280 345 A HN 0.541 nan 8.150 nan 0.000 0.406 346 E N 0.611 120.792 120.200 -0.033 0.000 2.199 346 E HA 0.641 4.991 4.350 -0.000 0.000 0.269 346 E C -1.013 175.520 176.600 -0.113 0.000 0.899 346 E CA -0.274 56.106 56.400 -0.034 0.000 0.772 346 E CB 2.170 31.878 29.700 0.013 0.000 1.155 346 E HN 0.532 nan 8.360 nan 0.000 0.408 347 I N 2.717 123.225 120.570 -0.103 0.000 2.321 347 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 347 I C -0.292 175.784 176.117 -0.068 0.000 0.998 347 I CA -0.531 60.678 61.300 -0.152 0.000 1.227 347 I CB 1.013 38.948 38.000 -0.108 0.000 1.368 347 I HN 0.292 nan 8.210 nan 0.000 0.466 348 E N 5.624 125.783 120.200 -0.069 0.000 2.437 348 E HA 0.290 4.640 4.350 -0.000 0.000 0.238 348 E C 0.022 176.640 176.600 0.030 0.000 0.969 348 E CA -0.108 56.284 56.400 -0.012 0.000 0.759 348 E CB 1.586 31.275 29.700 -0.019 0.000 1.283 348 E HN 0.786 nan 8.360 nan 0.000 0.416 349 S N 3.917 119.657 115.700 0.067 0.000 4.141 349 S HA -0.273 4.197 4.470 -0.000 0.000 0.622 349 S C 0.670 175.392 174.600 0.204 0.000 1.894 349 S CA 1.685 59.947 58.200 0.103 0.000 4.238 349 S CB -1.178 62.063 63.200 0.069 0.000 0.205 349 S HN 0.705 nan 8.310 nan 0.000 0.486 350 N N 2.796 121.617 118.700 0.201 0.000 2.327 350 N HA 0.236 4.976 4.740 -0.000 0.000 0.231 350 N C 0.016 175.765 175.510 0.399 0.000 1.130 350 N CA 0.920 54.166 53.050 0.327 0.000 0.845 350 N CB -0.081 38.509 38.487 0.171 0.000 1.073 350 N HN 1.011 nan 8.380 nan 0.000 0.496 351 T N -3.342 111.323 114.554 0.186 0.000 2.883 351 T HA 0.635 4.985 4.350 -0.000 0.000 0.301 351 T C -0.999 173.468 174.700 -0.389 0.000 1.158 351 T CA -0.705 61.368 62.100 -0.046 0.000 1.007 351 T CB 1.909 70.761 68.868 -0.026 0.000 1.186 351 T HN -0.154 nan 8.240 nan 0.000 0.499 352 V N 2.580 122.226 119.914 -0.446 0.000 2.531 352 V HA 0.469 4.589 4.120 -0.000 0.000 0.301 352 V C -0.604 175.330 176.094 -0.266 0.000 1.034 352 V CA -1.005 61.020 62.300 -0.459 0.000 0.865 352 V CB 1.621 33.100 31.823 -0.573 0.000 0.995 352 V HN 0.828 nan 8.190 nan 0.000 0.424 353 I N 3.750 124.181 120.570 -0.232 0.000 2.312 353 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 353 I C 0.062 175.951 176.117 -0.379 0.000 1.031 353 I CA -0.037 61.108 61.300 -0.259 0.000 1.293 353 I CB 0.879 38.760 38.000 -0.199 0.000 1.403 353 I HN 0.572 nan 8.210 nan 0.000 0.484 354 C N 6.179 125.249 119.300 -0.384 0.000 2.355 354 C HA 0.469 4.929 4.460 -0.000 0.000 0.332 354 C C 0.238 174.969 174.990 -0.432 0.000 1.255 354 C CA -0.659 58.163 59.018 -0.326 0.000 1.792 354 C CB 0.546 28.204 27.740 -0.135 0.000 2.300 354 C HN 0.619 nan 8.230 nan 0.000 0.515 355 H N 1.363 120.454 119.070 0.034 0.000 2.736 355 H HA 0.292 4.848 4.556 -0.000 0.000 0.271 355 H C 0.590 175.957 175.328 0.064 0.000 1.184 355 H CA -0.042 56.030 56.048 0.041 0.000 1.378 355 H CB 1.004 30.788 29.762 0.038 0.000 1.428 355 H HN 0.977 nan 8.280 nan 0.000 0.500 356 G N 2.292 111.160 108.800 0.114 0.000 2.265 356 G HA2 0.226 4.186 3.960 -0.000 0.000 0.240 356 G HA3 0.226 4.186 3.960 -0.000 0.000 0.240 356 G C 0.647 175.607 174.900 0.101 0.000 1.270 356 G CA -0.061 45.090 45.100 0.084 0.000 0.901 356 G HN 0.425 nan 8.290 nan 0.000 0.507 357 V N 0.565 120.528 119.914 0.081 0.000 3.193 357 V HA 0.587 4.707 4.120 -0.000 0.000 0.320 357 V C 1.151 177.270 176.094 0.042 0.000 1.112 357 V CA -0.523 61.824 62.300 0.078 0.000 1.026 357 V CB 1.805 33.666 31.823 0.064 0.000 1.128 357 V HN 0.767 nan 8.190 nan 0.000 0.452 358 E N 1.083 121.306 120.200 0.037 0.000 2.016 358 E HA 0.014 4.364 4.350 -0.000 0.000 0.190 358 E C 0.608 177.216 176.600 0.013 0.000 0.985 358 E CA 1.432 57.847 56.400 0.024 0.000 0.802 358 E CB 0.172 29.887 29.700 0.024 0.000 0.762 358 E HN 0.815 nan 8.360 nan 0.000 0.448 359 K N -0.444 119.960 120.400 0.007 0.000 2.464 359 K HA 0.394 4.714 4.320 -0.000 0.000 0.253 359 K C -1.019 175.574 176.600 -0.011 0.000 0.933 359 K CA -0.704 55.582 56.287 -0.001 0.000 0.801 359 K CB 1.621 34.121 32.500 0.001 0.000 1.271 359 K HN -0.038 nan 8.250 nan 0.000 0.430 360 L N 1.288 122.502 121.223 -0.015 0.000 2.416 360 L HA 0.421 4.761 4.340 -0.000 0.000 0.262 360 L C -0.150 176.709 176.870 -0.018 0.000 1.093 360 L CA -0.895 53.930 54.840 -0.023 0.000 0.801 360 L CB 1.849 43.895 42.059 -0.021 0.000 1.191 360 L HN 0.754 nan 8.230 nan 0.000 0.459 361 S N -0.545 115.142 115.700 -0.021 0.000 2.503 361 S HA 0.526 4.996 4.470 -0.000 0.000 0.301 361 S C 0.069 174.663 174.600 -0.010 0.000 1.087 361 S CA -0.702 57.489 58.200 -0.014 0.000 1.042 361 S CB 1.802 64.993 63.200 -0.015 0.000 1.043 361 S HN 0.773 nan 8.310 nan 0.000 0.489 362 G N 0.878 109.675 108.800 -0.005 0.000 2.491 362 G HA2 0.515 4.474 3.960 -0.000 0.000 0.238 362 G HA3 0.515 4.474 3.960 -0.000 0.000 0.238 362 G C -0.257 174.643 174.900 0.001 0.000 1.277 362 G CA 0.165 45.264 45.100 -0.000 0.000 0.851 362 G HN 1.017 nan 8.290 nan 0.000 0.573 363 A N 1.427 124.250 122.820 0.005 0.000 2.564 363 A HA 0.676 4.996 4.320 -0.000 0.000 0.291 363 A C -0.643 176.949 177.584 0.012 0.000 1.102 363 A CA -0.739 51.301 52.037 0.006 0.000 0.660 363 A CB 1.001 20.002 19.000 0.001 0.000 1.283 363 A HN 0.626 nan 8.150 nan 0.000 0.430 364 Q N 0.478 120.285 119.800 0.012 0.000 2.296 364 Q HA 0.522 4.862 4.340 -0.000 0.000 0.257 364 Q C -0.289 175.721 176.000 0.016 0.000 0.942 364 Q CA -0.500 55.313 55.803 0.016 0.000 0.939 364 Q CB 1.532 30.279 28.738 0.014 0.000 1.198 364 Q HN 0.977 nan 8.270 nan 0.000 0.429 365 V N -0.340 119.586 119.914 0.020 0.000 3.167 365 V HA 0.821 4.941 4.120 -0.000 0.000 0.310 365 V C -0.767 175.340 176.094 0.021 0.000 1.207 365 V CA -1.025 61.286 62.300 0.020 0.000 1.059 365 V CB 2.726 34.561 31.823 0.021 0.000 1.079 365 V HN 0.797 nan 8.190 nan 0.000 0.446 366 M N 1.221 120.832 119.600 0.019 0.000 2.569 366 M HA 0.787 5.267 4.480 -0.000 0.000 0.287 366 M C -2.036 174.267 176.300 0.004 0.000 1.130 366 M CA 0.131 55.439 55.300 0.014 0.000 0.885 366 M CB 1.733 34.343 32.600 0.018 0.000 1.759 366 M HN 1.783 nan 8.290 nan 0.000 0.515 367 A N 1.498 124.307 122.820 -0.019 0.000 2.549 367 A HA 0.676 4.996 4.320 -0.000 0.000 0.297 367 A C 0.195 177.677 177.584 -0.170 0.000 1.061 367 A CA 0.163 52.166 52.037 -0.057 0.000 0.690 367 A CB 1.221 20.206 19.000 -0.025 0.000 1.287 367 A HN 0.950 nan 8.150 nan 0.000 0.402 368 T N -1.973 112.420 114.554 -0.268 0.000 3.081 368 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 368 T C 0.215 174.427 174.700 -0.813 0.000 1.100 368 T CA 0.954 62.662 62.100 -0.654 0.000 1.038 368 T CB -0.438 68.223 68.868 -0.346 0.000 0.962 368 T HN 0.674 nan 8.240 nan 0.000 0.516 369 D N 0.569 120.728 120.400 -0.403 0.000 2.225 369 D HA 0.317 4.957 4.640 -0.000 0.000 0.248 369 D C 1.258 177.438 176.300 -0.200 0.000 1.096 369 D CA -0.783 53.049 54.000 -0.280 0.000 0.863 369 D CB 1.161 41.856 40.800 -0.174 0.000 1.156 369 D HN -0.041 nan 8.370 nan 0.000 0.450 370 L N 4.658 125.809 121.223 -0.120 0.000 2.021 370 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 370 L C 1.863 178.773 176.870 0.068 0.000 1.074 370 L CA 1.818 56.672 54.840 0.024 0.000 0.760 370 L CB -0.387 41.720 42.059 0.081 0.000 0.889 370 L HN 0.478 nan 8.230 nan 0.000 0.433 371 R N 0.086 120.607 120.500 0.036 0.000 2.073 371 R HA 0.070 4.410 4.340 -0.000 0.000 0.229 371 R C 2.281 178.551 176.300 -0.049 0.000 1.120 371 R CA 1.379 57.501 56.100 0.036 0.000 0.967 371 R CB -1.635 28.674 30.300 0.015 0.000 0.862 371 R HN 0.550 nan 8.270 nan 0.000 0.436 372 A N 0.461 123.231 122.820 -0.083 0.000 1.933 372 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 372 A C 2.420 179.976 177.584 -0.047 0.000 1.175 372 A CA 1.877 53.859 52.037 -0.093 0.000 0.628 372 A CB -0.555 18.436 19.000 -0.015 0.000 0.814 372 A HN 0.328 nan 8.150 nan 0.000 0.444 373 S N -0.518 115.152 115.700 -0.050 0.000 2.368 373 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 373 S C 2.204 176.774 174.600 -0.050 0.000 1.029 373 S CA 1.416 59.596 58.200 -0.034 0.000 0.988 373 S CB -0.442 62.741 63.200 -0.028 0.000 0.838 373 S HN 0.787 nan 8.310 nan 0.000 0.462 374 A N 0.701 123.458 122.820 -0.104 0.000 1.933 374 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 374 A C 2.373 179.855 177.584 -0.170 0.000 1.175 374 A CA 2.069 53.967 52.037 -0.233 0.000 0.628 374 A CB -1.055 17.683 19.000 -0.438 0.000 0.814 374 A HN 0.553 nan 8.150 nan 0.000 0.444 375 S N -0.124 115.508 115.700 -0.113 0.000 2.382 375 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 375 S C 1.750 176.320 174.600 -0.050 0.000 1.027 375 S CA 1.394 59.541 58.200 -0.087 0.000 0.991 375 S CB -0.411 62.738 63.200 -0.085 0.000 0.823 375 S HN 0.535 nan 8.310 nan 0.000 0.469 376 L N 0.800 122.008 121.223 -0.025 0.000 2.141 376 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 376 L C 2.245 179.109 176.870 -0.010 0.000 1.094 376 L CA 0.639 55.480 54.840 0.001 0.000 0.763 376 L CB -0.616 41.455 42.059 0.021 0.000 0.908 376 L HN 0.199 nan 8.230 nan 0.000 0.437 377 V N 0.190 120.087 119.914 -0.029 0.000 2.358 377 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 377 V C 2.430 178.479 176.094 -0.075 0.000 1.047 377 V CA 1.460 63.736 62.300 -0.040 0.000 1.035 377 V CB -0.291 31.487 31.823 -0.075 0.000 0.658 377 V HN 0.338 nan 8.190 nan 0.000 0.452 378 L N 0.112 121.275 121.223 -0.099 0.000 2.042 378 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 378 L C 2.747 179.583 176.870 -0.058 0.000 1.076 378 L CA 1.716 56.500 54.840 -0.092 0.000 0.749 378 L CB -0.888 41.104 42.059 -0.111 0.000 0.893 378 L HN 0.391 nan 8.230 nan 0.000 0.432 379 A N 0.364 123.159 122.820 -0.042 0.000 1.933 379 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 379 A C 2.395 179.967 177.584 -0.020 0.000 1.175 379 A CA 1.690 53.713 52.037 -0.024 0.000 0.628 379 A CB -1.132 17.862 19.000 -0.009 0.000 0.814 379 A HN 0.454 nan 8.150 nan 0.000 0.444 380 G N -1.058 107.731 108.800 -0.018 0.000 2.432 380 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 380 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 380 G C 1.516 176.404 174.900 -0.020 0.000 1.135 380 G CA 1.240 46.333 45.100 -0.012 0.000 0.767 380 G HN 0.521 nan 8.290 nan 0.000 0.550 381 C N 0.811 120.091 119.300 -0.034 0.000 2.425 381 C HA 0.005 4.465 4.460 -0.000 0.000 0.277 381 C C 2.640 177.616 174.990 -0.024 0.000 1.280 381 C CA 0.933 59.931 59.018 -0.034 0.000 1.744 381 C CB -0.870 26.844 27.740 -0.044 0.000 1.989 381 C HN 0.662 nan 8.230 nan 0.000 0.491 382 I N -1.143 119.414 120.570 -0.023 0.000 3.968 382 I HA 0.365 4.535 4.170 -0.000 0.000 0.328 382 I C 1.000 177.109 176.117 -0.013 0.000 1.290 382 I CA -0.083 61.206 61.300 -0.018 0.000 1.163 382 I CB -0.390 37.598 38.000 -0.019 0.000 1.024 382 I HN 0.074 nan 8.210 nan 0.000 0.413 383 A N 1.814 124.626 122.820 -0.013 0.000 2.351 383 A HA 0.318 4.638 4.320 -0.000 0.000 0.257 383 A C -0.044 177.536 177.584 -0.007 0.000 1.087 383 A CA -0.224 51.806 52.037 -0.010 0.000 0.798 383 A CB 0.369 19.364 19.000 -0.010 0.000 1.033 383 A HN 0.423 nan 8.150 nan 0.000 0.488 384 E N 0.593 120.790 120.200 -0.006 0.000 2.324 384 E HA 0.459 4.808 4.350 -0.000 0.000 0.271 384 E C 0.851 177.450 176.600 -0.002 0.000 1.028 384 E CA 1.513 57.911 56.400 -0.004 0.000 0.890 384 E CB -0.024 29.675 29.700 -0.003 0.000 1.004 384 E HN 1.665 nan 8.360 nan 0.000 0.431 385 G N 3.322 112.122 108.800 -0.001 0.000 2.484 385 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.225 385 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.225 385 G C -0.498 174.404 174.900 0.003 0.000 1.250 385 G CA -0.292 44.809 45.100 0.001 0.000 0.926 385 G HN 0.702 nan 8.290 nan 0.000 0.581 386 T N 1.182 115.740 114.554 0.006 0.000 2.824 386 T HA 0.703 5.053 4.350 -0.000 0.000 0.280 386 T C -0.111 174.597 174.700 0.013 0.000 0.995 386 T CA 0.365 62.471 62.100 0.011 0.000 1.009 386 T CB 1.633 70.509 68.868 0.013 0.000 0.955 386 T HN 0.786 nan 8.240 nan 0.000 0.452 387 T N 2.124 116.689 114.554 0.018 0.000 2.863 387 T HA 0.593 4.943 4.350 -0.000 0.000 0.285 387 T C -0.739 173.984 174.700 0.038 0.000 1.009 387 T CA -0.561 61.553 62.100 0.023 0.000 0.989 387 T CB 1.539 70.418 68.868 0.018 0.000 1.004 387 T HN 0.329 nan 8.240 nan 0.000 0.455 388 V N 3.210 123.148 119.914 0.039 0.000 2.409 388 V HA 0.387 4.507 4.120 -0.000 0.000 0.290 388 V C -0.405 175.719 176.094 0.049 0.000 1.017 388 V CA -0.742 61.587 62.300 0.050 0.000 0.841 388 V CB 1.681 33.525 31.823 0.035 0.000 1.003 388 V HN 0.739 nan 8.190 nan 0.000 0.426 389 V N 4.018 123.977 119.914 0.075 0.000 2.364 389 V HA 0.367 4.487 4.120 -0.000 0.000 0.272 389 V C -0.028 176.081 176.094 0.025 0.000 1.036 389 V CA -0.373 61.966 62.300 0.064 0.000 0.880 389 V CB 1.584 33.475 31.823 0.113 0.000 0.991 389 V HN 0.873 nan 8.190 nan 0.000 0.460 390 D N 3.646 124.052 120.400 0.009 0.000 2.294 390 D HA 0.406 5.046 4.640 -0.000 0.000 0.250 390 D C 0.626 176.916 176.300 -0.016 0.000 1.058 390 D CA -0.386 53.610 54.000 -0.008 0.000 0.950 390 D CB 0.669 41.477 40.800 0.012 0.000 1.158 390 D HN 0.486 nan 8.370 nan 0.000 0.453 391 R N 1.359 121.850 120.500 -0.015 0.000 3.336 391 R HA -0.159 4.181 4.340 -0.000 0.000 0.260 391 R C 1.090 177.296 176.300 -0.157 0.000 1.032 391 R CA 0.682 56.770 56.100 -0.019 0.000 0.693 391 R CB -2.154 28.162 30.300 0.028 0.000 1.134 391 R HN 0.583 nan 8.270 nan 0.000 0.433 392 I N -2.384 118.080 120.570 -0.178 0.000 3.334 392 I HA -0.161 4.009 4.170 -0.000 0.000 0.282 392 I C 1.985 177.994 176.117 -0.179 0.000 1.313 392 I CA 0.633 61.792 61.300 -0.234 0.000 1.396 392 I CB -0.469 37.170 38.000 -0.603 0.000 1.054 392 I HN 0.337 nan 8.210 nan 0.000 0.495 393 Y N 0.312 120.497 120.300 -0.191 0.000 2.483 393 Y HA -0.155 4.394 4.550 -0.000 0.000 0.291 393 Y C 2.275 178.092 175.900 -0.140 0.000 1.143 393 Y CA 1.017 59.008 58.100 -0.180 0.000 1.289 393 Y CB -1.389 36.936 38.460 -0.226 0.000 0.983 393 Y HN 0.193 nan 8.280 nan 0.000 0.556 394 H N 0.658 119.433 119.070 -0.493 0.000 2.357 394 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 394 H C 2.276 177.582 175.328 -0.038 0.000 1.082 394 H CA 1.923 57.795 56.048 -0.293 0.000 1.342 394 H CB -0.091 29.462 29.762 -0.348 0.000 1.389 394 H HN 0.463 nan 8.280 nan 0.000 0.511 395 I N 0.967 121.603 120.570 0.111 0.000 2.252 395 I HA -0.226 3.943 4.170 -0.000 0.000 0.245 395 I C 1.986 178.242 176.117 0.233 0.000 1.102 395 I CA 1.087 62.502 61.300 0.193 0.000 1.385 395 I CB -0.182 37.903 38.000 0.142 0.000 1.064 395 I HN 0.070 nan 8.210 nan 0.000 0.414 396 D N 0.967 121.462 120.400 0.160 0.000 2.182 396 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 396 D C 2.257 178.648 176.300 0.152 0.000 0.986 396 D CA 1.210 55.306 54.000 0.160 0.000 0.847 396 D CB -0.251 40.617 40.800 0.115 0.000 0.942 396 D HN 0.356 nan 8.370 nan 0.000 0.467 397 R N -0.321 120.265 120.500 0.144 0.000 2.193 397 R HA 0.067 4.407 4.340 -0.000 0.000 0.213 397 R C 1.954 178.316 176.300 0.104 0.000 1.055 397 R CA 0.994 57.166 56.100 0.119 0.000 0.995 397 R CB 0.120 30.495 30.300 0.124 0.000 0.893 397 R HN 0.127 nan 8.270 nan 0.000 0.459 398 G N -1.478 107.403 108.800 0.135 0.000 3.079 398 G HA2 0.069 4.029 3.960 -0.000 0.000 0.233 398 G HA3 0.069 4.029 3.960 -0.000 0.000 0.233 398 G C -0.399 174.464 174.900 -0.062 0.000 1.062 398 G CA -0.148 44.975 45.100 0.038 0.000 0.809 398 G HN 0.047 nan 8.290 nan 0.000 0.535 399 Y N 0.438 120.780 120.300 0.069 0.000 2.376 399 Y HA 0.474 5.024 4.550 -0.000 0.000 0.340 399 Y C -0.118 175.840 175.900 0.098 0.000 0.965 399 Y CA -1.208 56.942 58.100 0.084 0.000 1.078 399 Y CB 1.973 40.483 38.460 0.082 0.000 1.193 399 Y HN -0.019 nan 8.280 nan 0.000 0.452 400 E N 3.537 123.870 120.200 0.223 0.000 2.229 400 E HA 0.274 4.624 4.350 -0.000 0.000 0.283 400 E C -0.291 176.419 176.600 0.183 0.000 1.030 400 E CA -0.408 56.089 56.400 0.162 0.000 0.836 400 E CB 0.367 30.128 29.700 0.103 0.000 1.068 400 E HN 0.630 nan 8.360 nan 0.000 0.401 401 R N 3.437 124.030 120.500 0.155 0.000 3.225 401 R HA -0.238 4.102 4.340 -0.000 0.000 0.245 401 R C 1.116 177.507 176.300 0.151 0.000 0.928 401 R CA 0.364 56.544 56.100 0.134 0.000 0.632 401 R CB -1.642 28.711 30.300 0.088 0.000 1.038 401 R HN 0.755 nan 8.270 nan 0.000 0.461 402 I N 0.285 120.970 120.570 0.191 0.000 2.361 402 I HA -0.278 3.892 4.170 -0.000 0.000 0.251 402 I C 2.402 178.536 176.117 0.029 0.000 1.133 402 I CA 1.763 63.163 61.300 0.167 0.000 1.413 402 I CB -0.046 37.990 38.000 0.060 0.000 1.073 402 I HN 0.468 nan 8.210 nan 0.000 0.424 403 E N 0.667 120.855 120.200 -0.020 0.000 2.051 403 E HA -0.271 4.079 4.350 -0.000 0.000 0.192 403 E C 1.613 178.177 176.600 -0.061 0.000 0.991 403 E CA 1.707 58.022 56.400 -0.142 0.000 0.799 403 E CB 0.028 29.705 29.700 -0.039 0.000 0.748 403 E HN 0.506 nan 8.360 nan 0.000 0.449 404 D N 0.527 120.928 120.400 0.000 0.000 2.117 404 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 404 D C 1.872 178.159 176.300 -0.021 0.000 0.982 404 D CA 1.008 55.004 54.000 -0.005 0.000 0.828 404 D CB -0.124 40.681 40.800 0.009 0.000 0.967 404 D HN 0.182 nan 8.370 nan 0.000 0.464 405 K N 0.321 120.717 120.400 -0.006 0.000 2.063 405 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 405 K C 2.314 178.893 176.600 -0.034 0.000 1.048 405 K CA 0.665 56.913 56.287 -0.066 0.000 0.928 405 K CB -0.104 32.338 32.500 -0.097 0.000 0.713 405 K HN 0.152 nan 8.250 nan 0.000 0.442 406 L N 0.307 121.555 121.223 0.041 0.000 2.109 406 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 406 L C 2.697 179.552 176.870 -0.025 0.000 1.086 406 L CA 0.803 55.664 54.840 0.035 0.000 0.760 406 L CB -0.294 41.753 42.059 -0.020 0.000 0.910 406 L HN 0.163 nan 8.230 nan 0.000 0.437 407 R N 0.721 121.194 120.500 -0.046 0.000 2.081 407 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 407 R C 2.203 178.482 176.300 -0.035 0.000 1.131 407 R CA 1.468 57.543 56.100 -0.043 0.000 0.960 407 R CB -0.220 30.056 30.300 -0.040 0.000 0.856 407 R HN 0.311 nan 8.270 nan 0.000 0.436 408 A N 0.485 123.280 122.820 -0.041 0.000 2.121 408 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 408 A C 1.859 179.415 177.584 -0.046 0.000 1.154 408 A CA 0.795 52.804 52.037 -0.047 0.000 0.679 408 A CB -0.182 18.781 19.000 -0.063 0.000 0.795 408 A HN 0.367 nan 8.150 nan 0.000 0.458 409 L N -1.735 119.465 121.223 -0.038 0.000 2.592 409 L HA 0.255 4.595 4.340 -0.000 0.000 0.227 409 L C 1.513 178.373 176.870 -0.018 0.000 1.127 409 L CA 0.590 55.415 54.840 -0.026 0.000 0.884 409 L CB 0.167 42.226 42.059 0.000 0.000 1.065 409 L HN 0.537 nan 8.230 nan 0.000 0.457 410 G N -0.178 108.609 108.800 -0.022 0.000 2.154 410 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.186 410 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.186 410 G C 0.302 175.189 174.900 -0.022 0.000 1.000 410 G CA -0.176 44.912 45.100 -0.020 0.000 0.664 410 G HN 0.397 nan 8.290 nan 0.000 0.513 411 A N -0.022 122.781 122.820 -0.028 0.000 2.407 411 A HA 0.615 4.935 4.320 -0.000 0.000 0.248 411 A C 0.483 178.043 177.584 -0.040 0.000 1.082 411 A CA 0.157 52.171 52.037 -0.039 0.000 0.785 411 A CB 0.454 19.419 19.000 -0.059 0.000 1.020 411 A HN 0.564 nan 8.150 nan 0.000 0.489 412 N N 1.673 120.351 118.700 -0.037 0.000 2.699 412 N HA 0.402 5.142 4.740 -0.000 0.000 0.232 412 N C -1.282 174.207 175.510 -0.034 0.000 1.027 412 N CA -0.072 52.962 53.050 -0.027 0.000 0.920 412 N CB 0.250 38.728 38.487 -0.016 0.000 1.148 412 N HN 0.656 nan 8.380 nan 0.000 0.509 413 I N 1.008 121.550 120.570 -0.047 0.000 2.865 413 I HA 0.473 4.643 4.170 -0.000 0.000 0.302 413 I C -1.365 174.745 176.117 -0.013 0.000 1.140 413 I CA -0.689 60.574 61.300 -0.061 0.000 1.021 413 I CB 2.210 40.101 38.000 -0.181 0.000 1.233 413 I HN 0.426 nan 8.210 nan 0.000 0.427 414 E N 6.990 127.226 120.200 0.059 0.000 2.321 414 E HA 0.348 4.698 4.350 -0.000 0.000 0.278 414 E C -1.671 175.082 176.600 0.255 0.000 0.902 414 E CA -0.938 55.531 56.400 0.116 0.000 0.758 414 E CB 1.957 31.703 29.700 0.075 0.000 1.213 414 E HN 0.667 nan 8.360 nan 0.000 0.426 415 R N 3.079 123.740 120.500 0.269 0.000 2.357 415 R HA 0.412 4.752 4.340 -0.000 0.000 0.296 415 R C -1.285 175.074 176.300 0.099 0.000 1.052 415 R CA -0.390 55.858 56.100 0.247 0.000 0.988 415 R CB 1.167 31.595 30.300 0.214 0.000 1.025 415 R HN 0.344 nan 8.270 nan 0.000 0.469 416 V N 5.880 125.819 119.914 0.041 0.000 2.378 416 V HA 0.288 4.408 4.120 -0.000 0.000 0.288 416 V C 0.181 176.267 176.094 -0.013 0.000 1.016 416 V CA -0.797 61.514 62.300 0.019 0.000 0.840 416 V CB 1.311 33.147 31.823 0.023 0.000 0.994 416 V HN 0.776 nan 8.190 nan 0.000 0.431 417 K N 1.953 122.349 120.400 -0.007 0.000 2.627 417 K HA 0.697 5.017 4.320 -0.000 0.000 0.269 417 K C 1.192 177.784 176.600 -0.014 0.000 1.029 417 K CA 0.590 56.867 56.287 -0.016 0.000 1.026 417 K CB 0.979 33.474 32.500 -0.009 0.000 1.350 417 K HN 0.896 nan 8.250 nan 0.000 0.506 418 G N 0.561 109.351 108.800 -0.017 0.000 2.652 418 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.278 418 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.278 418 G C 0.074 174.964 174.900 -0.016 0.000 1.263 418 G CA 0.607 45.699 45.100 -0.015 0.000 0.966 418 G HN 0.731 nan 8.290 nan 0.000 0.544 419 E N 0.000 120.194 120.200 -0.011 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 419 E CB 0.000 29.697 29.700 -0.004 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440